# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b6041cf5-6c5c-4c73-ae16-c3a9eb467efc/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 Na5B2P3O13 / P2_1 (4) / materials id 557836](https://mdr.nims.go.jp/datasets/d94172f7-0ec5-489e-8301-a0f652d5a3e5) ## 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: "P2_1" number: 4 Hall_symbol: "P 2yb"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.732391880000000, 0.000000000000000, 0.007367650000000 ] # a - [ 0.000000000000000, 11.605490560000000, 0.000000000000000 ] # b - [ -3.261500300000000, 0.000000000000000, 6.966804660000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.879236730000000, 0.098854550000000, 0.223019700000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.977364020000000, 0.329754650000000, 0.021397770000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.855398520000000, 0.608971320000000, 0.231117830000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.400715470000000, 0.235726930000000, 0.460410950000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.599284530000000, 0.735726930000000, 0.539589050000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.448189680000000, 0.331382140000000, 0.986005400000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.120763270000000, 0.598854550000000, 0.776980300000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.551810320000000, 0.831382140000000, 0.013994600000000 ] mass: 22.989769 - symbol: Na # 9 coordinates: [ 0.144601480000000, 0.108971320000000, 0.768882170000000 ] mass: 22.989769 - symbol: Na # 10 coordinates: [ 0.022635980000000, 0.829754650000000, 0.978602230000000 ] mass: 22.989769 - symbol: B # 11 coordinates: [ 0.289720040000000, 0.514359700000000, 0.499331230000000 ] mass: 10.811000 - symbol: B # 12 coordinates: [ 0.633871050000000, 0.464249580000000, 0.492631310000000 ] mass: 10.811000 - symbol: B # 13 coordinates: [ 0.710279960000000, 0.014359700000000, 0.500668770000000 ] mass: 10.811000 - symbol: B # 14 coordinates: [ 0.366128950000000, 0.964249580000000, 0.507368690000000 ] mass: 10.811000 - symbol: P # 15 coordinates: [ 0.658882200000000, 0.561716130000000, 0.821105220000000 ] mass: 30.973762 - symbol: P # 16 coordinates: [ 0.343889030000000, 0.578354160000000, 0.191272440000000 ] mass: 30.973762 - symbol: P # 17 coordinates: [ 0.000506820000000, 0.348984020000000, 0.507055140000000 ] mass: 30.973762 - symbol: P # 18 coordinates: [ 0.999493180000000, 0.848984020000000, 0.492944860000000 ] mass: 30.973762 - symbol: P # 19 coordinates: [ 0.341117800000000, 0.061716130000000, 0.178894780000000 ] mass: 30.973762 - symbol: P # 20 coordinates: [ 0.656110970000000, 0.078354160000000, 0.808727560000000 ] mass: 30.973762 - symbol: O # 21 coordinates: [ 0.750204730000000, 0.366619280000000, 0.461976490000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.234878740000000, 0.025330130000000, 0.321477370000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.242654910000000, 0.476749880000000, 0.060000450000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.234466630000000, 0.598853100000000, 0.336817320000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.765121260000000, 0.525330130000000, 0.678522630000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.406738160000000, 0.054292040000000, 0.662223700000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.249303390000000, 0.179099130000000, 0.096344280000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.571251040000000, 0.924748700000000, 0.512440720000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.757345090000000, 0.976749880000000, 0.939999550000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.249795270000000, 0.866619280000000, 0.538023510000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.306692850000000, 0.969199840000000, 0.030771630000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.335445390000000, 0.690675250000000, 0.088065730000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.664554610000000, 0.190675250000000, 0.911934270000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.985281930000000, 0.776163060000000, 0.650844830000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.693307150000000, 0.469199840000000, 0.969228370000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.428748960000000, 0.424748700000000, 0.487559280000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.014718070000000, 0.276163060000000, 0.349155170000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.750696610000000, 0.679099130000000, 0.903655720000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.922129770000000, 0.978129100000000, 0.506675800000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.406823380000000, 0.581760270000000, 0.682038590000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.765533370000000, 0.098853100000000, 0.663182680000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.871793860000000, 0.803817010000000, 0.291771930000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.128206140000000, 0.303817010000000, 0.708228070000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.077870230000000, 0.478129100000000, 0.493324200000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.593261840000000, 0.554292040000000, 0.337776300000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.593176620000000, 0.081760270000000, 0.317961410000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.148459560540115, 0.000000000000000, 0.069501145054274 ] # a* - [ 0.000000000000000, 0.086166112051019, 0.000000000000000 ] # b* - [ -0.000157001399435, 0.000000000000000, 0.143464326713108 ] # c*unit_cell: lattice: - [ 6.732391880000000, 0.000000000000000, 0.007367650000000 ] # a - [ 0.000000000000000, 11.605490560000000, 0.000000000000000 ] # b - [ -3.261500300000000, 0.000000000000000, 6.966804660000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.879236730000000, 0.098854550000000, 0.223019700000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.977364020000000, 0.329754650000000, 0.021397770000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.855398520000000, 0.608971320000000, 0.231117830000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.400715470000000, 0.235726930000000, 0.460410950000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.599284530000000, 0.735726930000000, 0.539589050000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.448189680000000, 0.331382140000000, 0.986005400000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.120763270000000, 0.598854550000000, 0.776980300000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.551810320000000, 0.831382140000000, 0.013994600000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.144601480000000, 0.108971320000000, 0.768882170000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.022635980000000, 0.829754650000000, 0.978602230000000 ] mass: 22.989769 reduced_to: 10 - symbol: B # 11 coordinates: [ 0.289720040000000, 0.514359700000000, 0.499331230000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 12 coordinates: [ 0.633871050000000, 0.464249580000000, 0.492631310000000 ] mass: 10.811000 reduced_to: 12 - symbol: B # 13 coordinates: [ 0.710279960000000, 0.014359700000000, 0.500668770000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.366128950000000, 0.964249580000000, 0.507368690000000 ] mass: 10.811000 reduced_to: 14 - symbol: P # 15 coordinates: [ 0.658882200000000, 0.561716130000000, 0.821105220000000 ] mass: 30.973762 reduced_to: 15 - symbol: P # 16 coordinates: [ 0.343889030000000, 0.578354160000000, 0.191272440000000 ] mass: 30.973762 reduced_to: 16 - symbol: P # 17 coordinates: [ 0.000506820000000, 0.348984020000000, 0.507055140000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.999493180000000, 0.848984020000000, 0.492944860000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.341117800000000, 0.061716130000000, 0.178894780000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.656110970000000, 0.078354160000000, 0.808727560000000 ] mass: 30.973762 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.750204730000000, 0.366619280000000, 0.461976490000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.234878740000000, 0.025330130000000, 0.321477370000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.242654910000000, 0.476749880000000, 0.060000450000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.234466630000000, 0.598853100000000, 0.336817320000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.765121260000000, 0.525330130000000, 0.678522630000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.406738160000000, 0.054292040000000, 0.662223700000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.249303390000000, 0.179099130000000, 0.096344280000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.571251040000000, 0.924748700000000, 0.512440720000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.757345090000000, 0.976749880000000, 0.939999550000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.249795270000000, 0.866619280000000, 0.538023510000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.306692850000000, 0.969199840000000, 0.030771630000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.335445390000000, 0.690675250000000, 0.088065730000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.664554610000000, 0.190675250000000, 0.911934270000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.985281930000000, 0.776163060000000, 0.650844830000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.693307150000000, 0.469199840000000, 0.969228370000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.428748960000000, 0.424748700000000, 0.487559280000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.014718070000000, 0.276163060000000, 0.349155170000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.750696610000000, 0.679099130000000, 0.903655720000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.922129770000000, 0.978129100000000, 0.506675800000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.406823380000000, 0.581760270000000, 0.682038590000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.765533370000000, 0.098853100000000, 0.663182680000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.871793860000000, 0.803817010000000, 0.291771930000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.128206140000000, 0.303817010000000, 0.708228070000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.077870230000000, 0.478129100000000, 0.493324200000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.593261840000000, 0.554292040000000, 0.337776300000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.593176620000000, 0.081760270000000, 0.317961410000000 ] mass: 15.999400 reduced_to: 46supercell: lattice: - [ 13.464783760000000, 0.000000000000000, 0.014735300000000 ] # a - [ 0.000000000000000, 11.605490560000000, 0.000000000000000 ] # b - [ -3.261500300000000, 0.000000000000000, 6.966804660000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.439618365000000, 0.098854550000000, 0.223019700000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.939618365000000, 0.098854550000000, 0.223019700000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.488682010000000, 0.329754650000000, 0.021397770000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.988682010000000, 0.329754650000000, 0.021397770000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 5 coordinates: [ 0.427699260000000, 0.608971320000000, 0.231117830000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.927699260000000, 0.608971320000000, 0.231117830000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 7 coordinates: [ 0.200357735000000, 0.235726930000000, 0.460410950000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.700357735000000, 0.235726930000000, 0.460410950000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 9 coordinates: [ 0.299642265000000, 0.735726930000000, 0.539589050000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.799642265000000, 0.735726930000000, 0.539589050000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 11 coordinates: [ 0.224094840000000, 0.331382140000000, 0.986005400000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.724094840000000, 0.331382140000000, 0.986005400000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 13 coordinates: [ 0.060381635000000, 0.598854550000000, 0.776980300000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.560381635000000, 0.598854550000000, 0.776980300000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 15 coordinates: [ 0.275905160000000, 0.831382140000000, 0.013994600000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.775905160000000, 0.831382140000000, 0.013994600000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 17 coordinates: [ 0.072300740000000, 0.108971320000000, 0.768882170000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.572300740000000, 0.108971320000000, 0.768882170000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 19 coordinates: [ 0.011317990000000, 0.829754650000000, 0.978602230000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.511317990000000, 0.829754650000000, 0.978602230000000 ] mass: 22.989769 reduced_to: 19 - symbol: B # 21 coordinates: [ 0.144860020000000, 0.514359700000000, 0.499331230000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 22 coordinates: [ 0.644860020000000, 0.514359700000000, 0.499331230000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 23 coordinates: [ 0.316935525000000, 0.464249580000000, 0.492631310000000 ] mass: 10.811000 reduced_to: 23 - symbol: B # 24 coordinates: [ 0.816935525000000, 0.464249580000000, 0.492631310000000 ] mass: 10.811000 reduced_to: 23 - symbol: B # 25 coordinates: [ 0.355139980000000, 0.014359700000000, 0.500668770000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 26 coordinates: [ 0.855139980000000, 0.014359700000000, 0.500668770000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 27 coordinates: [ 0.183064475000000, 0.964249580000000, 0.507368690000000 ] mass: 10.811000 reduced_to: 27 - symbol: B # 28 coordinates: [ 0.683064475000000, 0.964249580000000, 0.507368690000000 ] mass: 10.811000 reduced_to: 27 - symbol: P # 29 coordinates: [ 0.329441100000000, 0.561716130000000, 0.821105220000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.829441100000000, 0.561716130000000, 0.821105220000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 31 coordinates: [ 0.171944515000000, 0.578354160000000, 0.191272440000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.671944515000000, 0.578354160000000, 0.191272440000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 33 coordinates: [ 0.000253410000000, 0.348984020000000, 0.507055140000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.500253410000000, 0.348984020000000, 0.507055140000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 35 coordinates: [ 0.499746590000000, 0.848984020000000, 0.492944860000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.999746590000000, 0.848984020000000, 0.492944860000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 37 coordinates: [ 0.170558900000000, 0.061716130000000, 0.178894780000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.670558900000000, 0.061716130000000, 0.178894780000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 39 coordinates: [ 0.328055485000000, 0.078354160000000, 0.808727560000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 40 coordinates: [ 0.828055485000000, 0.078354160000000, 0.808727560000000 ] mass: 30.973762 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.375102365000000, 0.366619280000000, 0.461976490000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.875102365000000, 0.366619280000000, 0.461976490000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.117439370000000, 0.025330130000000, 0.321477370000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.617439370000000, 0.025330130000000, 0.321477370000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.121327455000000, 0.476749880000000, 0.060000450000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.621327455000000, 0.476749880000000, 0.060000450000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.117233315000000, 0.598853100000000, 0.336817320000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.617233315000000, 0.598853100000000, 0.336817320000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.382560630000000, 0.525330130000000, 0.678522630000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.882560630000000, 0.525330130000000, 0.678522630000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.203369080000000, 0.054292040000000, 0.662223700000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.703369080000000, 0.054292040000000, 0.662223700000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.124651695000000, 0.179099130000000, 0.096344280000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.624651695000000, 0.179099130000000, 0.096344280000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.285625520000000, 0.924748700000000, 0.512440720000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.785625520000000, 0.924748700000000, 0.512440720000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.378672545000000, 0.976749880000000, 0.939999550000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.878672545000000, 0.976749880000000, 0.939999550000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.124897635000000, 0.866619280000000, 0.538023510000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.624897635000000, 0.866619280000000, 0.538023510000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.153346425000000, 0.969199840000000, 0.030771630000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.653346425000000, 0.969199840000000, 0.030771630000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.167722695000000, 0.690675250000000, 0.088065730000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.667722695000000, 0.690675250000000, 0.088065730000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.332277305000000, 0.190675250000000, 0.911934270000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.832277305000000, 0.190675250000000, 0.911934270000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.492640965000000, 0.776163060000000, 0.650844830000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.992640965000000, 0.776163060000000, 0.650844830000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.346653575000000, 0.469199840000000, 0.969228370000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.846653575000000, 0.469199840000000, 0.969228370000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.214374480000000, 0.424748700000000, 0.487559280000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.714374480000000, 0.424748700000000, 0.487559280000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.007359035000000, 0.276163060000000, 0.349155170000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.507359035000000, 0.276163060000000, 0.349155170000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.375348305000000, 0.679099130000000, 0.903655720000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.875348305000000, 0.679099130000000, 0.903655720000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.461064885000000, 0.978129100000000, 0.506675800000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.961064885000000, 0.978129100000000, 0.506675800000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.203411690000000, 0.581760270000000, 0.682038590000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.703411690000000, 0.581760270000000, 0.682038590000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.382766685000000, 0.098853100000000, 0.663182680000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.882766685000000, 0.098853100000000, 0.663182680000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.435896930000000, 0.803817010000000, 0.291771930000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.935896930000000, 0.803817010000000, 0.291771930000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.064103070000000, 0.303817010000000, 0.708228070000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.564103070000000, 0.303817010000000, 0.708228070000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.038935115000000, 0.478129100000000, 0.493324200000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.538935115000000, 0.478129100000000, 0.493324200000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.296630920000000, 0.554292040000000, 0.337776300000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.796630920000000, 0.554292040000000, 0.337776300000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.296588310000000, 0.081760270000000, 0.317961410000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.796588310000000, 0.081760270000000, 0.317961410000000 ] mass: 15.999400 reduced_to: 91displacements:- atom: 1 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ -0.0390079000000000, -0.0009184800000000, -0.0009460700000000 ] - [ 0.0012663000000000, -0.0000367400000000, 0.0003519700000000 ] - [ -0.0011789100000000, 0.0021357700000000, -0.0011862800000000 ] - [ 0.0006390500000000, -0.0003401500000000, 0.0006561400000000 ] - [ -0.0003381900000000, 0.0000869300000000, -0.0002999200000000 ] - [ 0.0003004000000000, -0.0000324000000000, -0.0000098100000000 ] - [ 0.0007214000000000, -0.0009323700000000, -0.0002132100000000 ] - [ 0.0013971400000000, 0.0019216900000000, 0.0021146500000000 ] - [ 0.0000539600000000, 0.0004578000000000, -0.0004900300000000 ] - [ 0.0004623900000000, -0.0003216500000000, -0.0001590300000000 ] - [ 0.0003013800000000, -0.0017365200000000, 0.0008820200000000 ] - [ 0.0005794500000000, 0.0007010900000000, -0.0003028300000000 ] - [ 0.0003701300000000, -0.0000137700000000, 0.0001040200000000 ] - [ -0.0001073000000000, 0.0000623600000000, -0.0002399600000000 ] - [ -0.0003813700000000, 0.0014647800000000, 0.0006427000000000 ] - [ 0.0005223200000000, -0.0006162000000000, 0.0001379400000000 ] - [ 0.0008426700000000, -0.0001535000000000, 0.0012455200000000 ] - [ -0.0009476700000000, -0.0001993700000000, -0.0012075200000000 ] - [ 0.0009919800000000, 0.0003357700000000, 0.0001014400000000 ] - [ -0.0005440000000000, -0.0009995100000000, -0.0013206500000000 ] - [ 0.0003930800000000, -0.0002910100000000, -0.0001095200000000 ] - [ -0.0002446600000000, 0.0000752600000000, 0.0000922200000000 ] - [ -0.0003908800000000, -0.0001665800000000, -0.0004047700000000 ] - [ 0.0004730500000000, 0.0000481700000000, 0.0001898400000000 ] - [ 0.0005824900000000, 0.0048678600000000, -0.0096049100000000 ] - [ 0.0026932300000000, -0.0008543600000000, 0.0022462000000000 ] - [ 0.0019118400000000, 0.0013871600000000, -0.0012530200000000 ] - [ 0.0011450800000000, -0.0047667700000000, 0.0067670300000000 ] - [ -0.0007289900000000, -0.0001488800000000, -0.0000732100000000 ] - [ 0.0000233900000000, -0.0000952200000000, 0.0002445600000000 ] - [ -0.0000523500000000, -0.0000426200000000, -0.0004357600000000 ] - [ -0.0000610400000000, -0.0000825200000000, 0.0004236500000000 ] - [ 0.0013965000000000, 0.0000857700000000, 0.0008371200000000 ] - [ -0.0037576400000000, 0.0012629400000000, -0.0001357300000000 ] - [ -0.0053749700000000, 0.0025947800000000, -0.0007360500000000 ] - [ 0.0026024100000000, 0.0001140900000000, 0.0006255400000000 ] - [ 0.0120594300000000, 0.0013123500000000, 0.0037356700000000 ] - [ 0.0135689100000000, -0.0029903300000000, -0.0023070600000000 ] - [ -0.0030147000000000, 0.0020159900000000, -0.0004072000000000 ] - [ 0.0025647100000000, -0.0000181700000000, 0.0020599500000000 ] - [ 0.0028926000000000, -0.0005333800000000, 0.0005934400000000 ] - [ -0.0003499600000000, -0.0003871700000000, -0.0001318700000000 ] - [ -0.0032516700000000, -0.0009088100000000, 0.0012666400000000 ] - [ 0.0080294300000000, -0.0022118700000000, 0.0019715900000000 ] - [ -0.0002101000000000, 0.0000415600000000, -0.0001508100000000 ] - [ 0.0000310300000000, -0.0005580900000000, -0.0001610800000000 ] - [ -0.0000536800000000, -0.0001083700000000, -0.0001178800000000 ] - [ 0.0003157700000000, -0.0001164400000000, -0.0003170400000000 ] - [ 0.0003956300000000, 0.0002916700000000, -0.0000091600000000 ] - [ -0.0001117600000000, 0.0001917400000000, -0.0003650700000000 ] - [ -0.0001300700000000, -0.0005758300000000, 0.0005618300000000 ] - [ -0.0011381800000000, -0.0002813800000000, -0.0025373200000000 ] - [ -0.0027082100000000, 0.0012624300000000, -0.0014546700000000 ] - [ -0.0044631700000000, -0.0005348600000000, 0.0015413700000000 ] - [ -0.0009566200000000, -0.0012147200000000, 0.0016139500000000 ] - [ -0.0019580100000000, 0.0016592500000000, -0.0015850800000000 ] - [ 0.0033369100000000, -0.0012478600000000, 0.0009341200000000 ] - [ -0.0011345600000000, 0.0002752600000000, -0.0007849900000000 ] - [ -0.0025170100000000, -0.0013966500000000, -0.0001872700000000 ] - [ 0.0022244000000000, 0.0011753900000000, -0.0009007500000000 ] - [ -0.0023325900000000, -0.0011905200000000, -0.0015264200000000 ] - [ -0.0016458400000000, 0.0018747500000000, 0.0022295900000000 ] - [ 0.0000221700000000, -0.0002919300000000, -0.0001892400000000 ] - [ 0.0000826400000000, 0.0002720000000000, -0.0002285400000000 ] - [ 0.0031807500000000, -0.0002291300000000, 0.0005293000000000 ] - [ -0.0010319000000000, -0.0002745000000000, -0.0002749100000000 ] - [ 0.0009222900000000, -0.0005554900000000, 0.0009432300000000 ] - [ -0.0005172100000000, 0.0001397100000000, 0.0000656500000000 ] - [ 0.0004113600000000, 0.0002709700000000, -0.0002335500000000 ] - [ -0.0002040500000000, 0.0000856100000000, -0.0004653700000000 ] - [ -0.0000151000000000, 0.0009066100000000, 0.0001424200000000 ] - [ -0.0002030600000000, 0.0001353000000000, -0.0001131600000000 ] - [ -0.0009006700000000, 0.0003084000000000, -0.0005376200000000 ] - [ 0.0034382100000000, 0.0026397400000000, 0.0010194000000000 ] - [ 0.0004321900000000, 0.0001772600000000, 0.0001594200000000 ] - [ -0.0001236200000000, 0.0001984400000000, -0.0001077300000000 ] - [ 0.0043224600000000, -0.0023372500000000, 0.0006319400000000 ] - [ -0.0021819800000000, 0.0007154000000000, -0.0004336300000000 ] - [ 0.0002173700000000, 0.0000496300000000, -0.0000936700000000 ] - [ 0.0000225900000000, -0.0000243500000000, -0.0004563700000000 ] - [ 0.0002979300000000, -0.0001875200000000, 0.0023376000000000 ] - [ -0.0011290600000000, -0.0002639200000000, -0.0005960600000000 ] - [ 0.0011828300000000, -0.0007696700000000, 0.0009959600000000 ] - [ -0.0011724400000000, -0.0001237400000000, 0.0001197800000000 ] - [ -0.0000625400000000, 0.0001892400000000, -0.0012560800000000 ] - [ 0.0012499500000000, -0.0007163200000000, -0.0003298800000000 ] - [ -0.0001935600000000, -0.0001181300000000, -0.0001520000000000 ] - [ 0.0006325900000000, -0.0007292600000000, -0.0001702700000000 ] - [ 0.0002600400000000, -0.0002359900000000, 0.0002335900000000 ] - [ -0.0001107400000000, -0.0001588000000000, -0.0001452500000000 ] - [ 0.0086956600000000, -0.0002917500000000, -0.0017184400000000 ] - [ -0.0035216000000000, 0.0005399400000000, -0.0017752800000000 ]- atom: 1 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ 0.0388628000000000, 0.0012699700000000, 0.0004620400000000 ] - [ -0.0015564200000000, -0.0000205300000000, -0.0002271300000000 ] - [ 0.0008435000000000, -0.0022107400000000, 0.0018120500000000 ] - [ -0.0009564700000000, 0.0002666600000000, -0.0000292500000000 ] - [ 0.0003483000000000, -0.0001540300000000, 0.0000027900000000 ] - [ -0.0002897500000000, -0.0000349800000000, -0.0002878400000000 ] - [ -0.0011041400000000, 0.0009785000000000, 0.0008776200000000 ] - [ -0.0017705800000000, -0.0018595800000000, -0.0014421100000000 ] - [ 0.0003287600000000, -0.0004111400000000, -0.0001641800000000 ] - [ -0.0000821800000000, 0.0003662100000000, -0.0004960200000000 ] - [ -0.0002932200000000, 0.0016093200000000, -0.0010289700000000 ] - [ -0.0005789600000000, -0.0008290800000000, 0.0001544800000000 ] - [ -0.0000756600000000, -0.0000407600000000, -0.0002260100000000 ] - [ 0.0003992400000000, -0.0001168400000000, 0.0001149300000000 ] - [ 0.0003954400000000, -0.0016011400000000, -0.0004956900000000 ] - [ -0.0005200000000000, 0.0004772100000000, 0.0000094000000000 ] - [ -0.0008477300000000, 0.0000850500000000, -0.0009526900000000 ] - [ 0.0009363000000000, 0.0001305400000000, 0.0014872000000000 ] - [ -0.0006749200000000, -0.0004149600000000, -0.0007278600000000 ] - [ 0.0008534200000000, 0.0009217100000000, 0.0006900700000000 ] - [ -0.0004721900000000, -0.0001386900000000, 0.0000217200000000 ] - [ 0.0001496000000000, -0.0005087200000000, -0.0001846500000000 ] - [ 0.0000363300000000, 0.0001715200000000, 0.0002254100000000 ] - [ -0.0008337500000000, -0.0000393300000000, -0.0003716600000000 ] - [ -0.0004942000000000, -0.0053279300000000, 0.0097610600000000 ] - [ -0.0026062700000000, 0.0004135800000000, -0.0021490200000000 ] - [ -0.0015511900000000, -0.0013759800000000, 0.0014478700000000 ] - [ -0.0007753200000000, 0.0047518600000000, -0.0065754900000000 ] - [ -0.0000824800000000, -0.0001875900000000, 0.0001353100000000 ] - [ -0.0008398700000000, -0.0002385100000000, -0.0001904800000000 ] - [ -0.0002250900000000, -0.0002944300000000, 0.0003472700000000 ] - [ -0.0002252400000000, -0.0002553300000000, -0.0005152500000000 ] - [ -0.0017215700000000, 0.0009082200000000, -0.0006465700000000 ] - [ 0.0034514900000000, -0.0003034000000000, 0.0002934600000000 ] - [ 0.0056821400000000, -0.0015764400000000, 0.0005268600000000 ] - [ -0.0022647700000000, 0.0008726400000000, -0.0008103900000000 ] - [ -0.0113241700000000, -0.0016627200000000, -0.0037403100000000 ] - [ -0.0126296000000000, 0.0025836100000000, 0.0022826000000000 ] - [ 0.0033066900000000, -0.0023454200000000, 0.0006004800000000 ] - [ -0.0022800900000000, -0.0003224100000000, -0.0019683600000000 ] - [ -0.0013685000000000, -0.0005054000000000, -0.0002183400000000 ] - [ 0.0018838700000000, -0.0006549100000000, 0.0005063200000000 ] - [ 0.0028887300000000, 0.0014060600000000, -0.0009041600000000 ] - [ -0.0078006800000000, 0.0024582700000000, -0.0013939400000000 ] - [ 0.0001681200000000, -0.0003509600000000, -0.0001215600000000 ] - [ -0.0000690400000000, 0.0002485000000000, -0.0001101100000000 ] - [ 0.0003631400000000, -0.0000320600000000, -0.0003475100000000 ] - [ -0.0000005200000000, -0.0000235400000000, -0.0001481700000000 ] - [ -0.0000407900000000, 0.0002059000000000, -0.0003707000000000 ] - [ 0.0004665200000000, 0.0003054200000000, -0.0000129600000000 ] - [ -0.0001423200000000, 0.0001848500000000, -0.0007195400000000 ] - [ 0.0008793700000000, -0.0000996700000000, 0.0023943500000000 ] - [ 0.0024044200000000, -0.0008253400000000, 0.0013667500000000 ] - [ 0.0041110500000000, 0.0009646300000000, -0.0016150800000000 ] - [ 0.0009740500000000, 0.0023918100000000, -0.0017298100000000 ] - [ 0.0019832100000000, -0.0004831700000000, 0.0014867400000000 ] - [ -0.0032969600000000, 0.0009469300000000, -0.0006595700000000 ] - [ 0.0011760000000000, -0.0005805700000000, 0.0010567600000000 ] - [ 0.0009778900000000, 0.0003547300000000, -0.0001904400000000 ] - [ -0.0037428000000000, -0.0022069400000000, 0.0005244600000000 ] - [ 0.0022200600000000, 0.0015188800000000, 0.0022351200000000 ] - [ 0.0015102500000000, -0.0015398000000000, -0.0015217200000000 ] - [ 0.0001812000000000, 0.0003966200000000, -0.0002521300000000 ] - [ 0.0001245200000000, -0.0001679900000000, -0.0002107100000000 ] - [ -0.0033920500000000, 0.0003380600000000, -0.0001085100000000 ] - [ 0.0008260400000000, 0.0003779600000000, 0.0007167900000000 ] - [ -0.0006893300000000, 0.0007743100000000, -0.0001663100000000 ] - [ 0.0007451900000000, 0.0000856400000000, 0.0007050500000000 ] - [ -0.0002835300000000, 0.0000521500000000, -0.0004727700000000 ] - [ 0.0003333700000000, 0.0002324800000000, -0.0002373800000000 ] - [ -0.0000063600000000, 0.0002682100000000, -0.0000399800000000 ] - [ 0.0001908500000000, 0.0010380200000000, 0.0002180600000000 ] - [ 0.0006712100000000, -0.0000854800000000, -0.0002353000000000 ] - [ -0.0036942400000000, -0.0024237800000000, -0.0017869500000000 ] - [ -0.0001134700000000, 0.0002577000000000, -0.0000723400000000 ] - [ 0.0004424200000000, 0.0002377200000000, 0.0001960300000000 ] - [ -0.0048004200000000, 0.0020703500000000, -0.0005593200000000 ] - [ 0.0017047100000000, -0.0009742800000000, 0.0005045500000000 ] - [ 0.0001069200000000, 0.0000483800000000, -0.0003496800000000 ] - [ 0.0003104600000000, 0.0001220100000000, 0.0000192500000000 ] - [ -0.0005977700000000, 0.0000495400000000, -0.0018937900000000 ] - [ 0.0008174100000000, 0.0001245100000000, 0.0010610900000000 ] - [ -0.0020889100000000, 0.0004351600000000, 0.0001347400000000 ] - [ 0.0002641600000000, -0.0001986900000000, 0.0010067300000000 ] - [ 0.0009661400000000, -0.0005132300000000, 0.0001265400000000 ] - [ -0.0003442300000000, 0.0003940600000000, -0.0007795400000000 ] - [ 0.0006627600000000, -0.0001479300000000, 0.0000802400000000 ] - [ -0.0001563100000000, 0.0004797500000000, 0.0001053200000000 ] - [ -0.0000009800000000, -0.0001469500000000, -0.0000973600000000 ] - [ 0.0003741500000000, -0.0002254500000000, 0.0002849500000000 ] - [ -0.0098090000000000, 0.0003113500000000, 0.0023696000000000 ] - [ 0.0031918600000000, -0.0004297700000000, 0.0022035900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014148800000000, -0.0306865400000000, -0.0028309400000000 ] - [ -0.0001529000000000, -0.0002941300000000, 0.0000980000000000 ] - [ 0.0019582200000000, 0.0029271400000000, -0.0020958600000000 ] - [ -0.0002063000000000, -0.0001943100000000, 0.0003053800000000 ] - [ -0.0000749100000000, 0.0015449900000000, -0.0001289200000000 ] - [ 0.0000151300000000, 0.0002028000000000, -0.0001378400000000 ] - [ -0.0006858700000000, -0.0006099000000000, 0.0001851500000000 ] - [ 0.0019121700000000, -0.0007173700000000, 0.0012196900000000 ] - [ 0.0007103400000000, 0.0008366300000000, -0.0003519400000000 ] - [ -0.0000261900000000, 0.0005586400000000, -0.0003777300000000 ] - [ -0.0015753300000000, 0.0008837400000000, -0.0013569400000000 ] - [ 0.0005210200000000, -0.0001266600000000, 0.0003297000000000 ] - [ 0.0001319000000000, 0.0002551700000000, -0.0000530300000000 ] - [ 0.0000562900000000, 0.0010083600000000, -0.0000343000000000 ] - [ 0.0013798100000000, 0.0019056000000000, 0.0014386200000000 ] - [ -0.0002181500000000, 0.0002078500000000, -0.0001099500000000 ] - [ -0.0000970200000000, -0.0005261400000000, 0.0001213700000000 ] - [ -0.0001485500000000, -0.0019265700000000, 0.0002510200000000 ] - [ 0.0003071000000000, 0.0002261400000000, -0.0002852300000000 ] - [ -0.0007983300000000, 0.0013933100000000, 0.0002955100000000 ] - [ -0.0004706600000000, 0.0004178200000000, -0.0001593400000000 ] - [ 0.0017914200000000, 0.0018080200000000, 0.0001132800000000 ] - [ -0.0021190400000000, 0.0027550000000000, -0.0000410800000000 ] - [ 0.0008097400000000, 0.0003831800000000, -0.0000193300000000 ] - [ 0.0054918000000000, -0.0035239100000000, -0.0015807400000000 ] - [ -0.0005197800000000, -0.0008336800000000, -0.0001727600000000 ] - [ 0.0014444500000000, -0.0003655400000000, 0.0003194800000000 ] - [ -0.0025042100000000, -0.0006680500000000, -0.0023914200000000 ] - [ -0.0004513300000000, 0.0025964900000000, 0.0000021900000000 ] - [ -0.0000857400000000, 0.0006091600000000, 0.0004824400000000 ] - [ -0.0004122600000000, 0.0012648000000000, -0.0006585100000000 ] - [ 0.0002277400000000, 0.0017657400000000, -0.0000408300000000 ] - [ 0.0000433500000000, 0.0002476700000000, -0.0001293000000000 ] - [ -0.0032229600000000, 0.0095759700000000, 0.0080514600000000 ] - [ -0.0010690700000000, 0.0065095400000000, -0.0067151200000000 ] - [ 0.0005280100000000, 0.0009217400000000, 0.0000636400000000 ] - [ 0.0019484600000000, -0.0030121100000000, 0.0002049400000000 ] - [ -0.0026376000000000, -0.0065271900000000, 0.0030830300000000 ] - [ 0.0025308200000000, -0.0137498700000000, 0.0024606900000000 ] - [ -0.0001937300000000, -0.0013612800000000, -0.0005854200000000 ] - [ 0.0040196400000000, -0.0032426100000000, -0.0010124400000000 ] - [ 0.0004322900000000, -0.0004216400000000, 0.0001953900000000 ] - [ -0.0005006000000000, 0.0006609400000000, -0.0000485200000000 ] - [ -0.0022949400000000, 0.0044363500000000, -0.0017296100000000 ] - [ 0.0001626400000000, -0.0007007900000000, -0.0001065900000000 ] - [ -0.0004281400000000, -0.0012531500000000, -0.0004438800000000 ] - [ 0.0002772000000000, -0.0005356000000000, -0.0000202300000000 ] - [ -0.0000412700000000, -0.0011459100000000, 0.0000907200000000 ] - [ 0.0005956100000000, -0.0010055700000000, -0.0007484800000000 ] - [ -0.0000396600000000, -0.0000753700000000, -0.0004770000000000 ] - [ -0.0008901900000000, 0.0021530300000000, -0.0000020700000000 ] - [ 0.0001649900000000, 0.0010608200000000, 0.0009421500000000 ] - [ 0.0000866000000000, 0.0017194800000000, -0.0004031800000000 ] - [ -0.0020695900000000, 0.0035069800000000, -0.0006055000000000 ] - [ -0.0015735300000000, 0.0011414100000000, -0.0003545100000000 ] - [ 0.0011230400000000, 0.0007528600000000, 0.0003021800000000 ] - [ -0.0007067900000000, 0.0065979900000000, -0.0000484100000000 ] - [ 0.0000868800000000, 0.0001536800000000, 0.0001963800000000 ] - [ -0.0012750600000000, -0.0006634200000000, -0.0002717100000000 ] - [ 0.0009711400000000, -0.0005757000000000, 0.0008241900000000 ] - [ -0.0012419200000000, 0.0009716600000000, 0.0003963200000000 ] - [ 0.0008435300000000, 0.0015015400000000, 0.0002043400000000 ] - [ -0.0001666700000000, -0.0008782800000000, -0.0000200200000000 ] - [ 0.0001337400000000, -0.0010654600000000, 0.0000621600000000 ] - [ -0.0007660500000000, 0.0070254200000000, 0.0008619600000000 ] - [ -0.0002836000000000, 0.0007882400000000, 0.0003979800000000 ] - [ -0.0002144900000000, -0.0015118400000000, 0.0020902000000000 ] - [ 0.0000196800000000, -0.0001937300000000, 0.0004166900000000 ] - [ 0.0001554700000000, -0.0014450500000000, 0.0003926000000000 ] - [ -0.0001076700000000, -0.0000782800000000, -0.0004137100000000 ] - [ 0.0009482900000000, -0.0000209900000000, 0.0001283400000000 ] - [ -0.0011459800000000, -0.0002456000000000, -0.0001260900000000 ] - [ -0.0001615200000000, 0.0003915600000000, -0.0002347000000000 ] - [ 0.0026640600000000, 0.0121290800000000, 0.0031172400000000 ] - [ -0.0000543900000000, -0.0016252600000000, -0.0003964800000000 ] - [ 0.0000649100000000, -0.0003406600000000, -0.0001049900000000 ] - [ -0.0015335700000000, 0.0015264000000000, 0.0005495200000000 ] - [ -0.0001841700000000, -0.0001210200000000, 0.0000126000000000 ] - [ 0.0003733400000000, -0.0005859900000000, -0.0001596800000000 ] - [ -0.0002630700000000, -0.0006928900000000, -0.0007648000000000 ] - [ -0.0007772600000000, 0.0031955500000000, 0.0005796800000000 ] - [ -0.0000339800000000, 0.0003964300000000, 0.0004381100000000 ] - [ -0.0005618200000000, -0.0036685400000000, 0.0022483200000000 ] - [ -0.0005013300000000, -0.0004047700000000, 0.0004450500000000 ] - [ 0.0005982300000000, -0.0000144800000000, -0.0004014200000000 ] - [ 0.0008556800000000, -0.0007414800000000, -0.0040424600000000 ] - [ 0.0003139200000000, -0.0001995300000000, -0.0000000400000000 ] - [ -0.0008420600000000, -0.0038274300000000, -0.0009193800000000 ] - [ 0.0004949000000000, -0.0014259700000000, 0.0007034500000000 ] - [ -0.0001138600000000, -0.0007069200000000, 0.0001942000000000 ] - [ -0.0001305300000000, 0.0024920300000000, -0.0004979700000000 ] - [ 0.0007949500000000, 0.0011302000000000, -0.0002049500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007798900000000, 0.0298569700000000, 0.0026358600000000 ] - [ -0.0001377400000000, 0.0002363700000000, 0.0000252900000000 ] - [ -0.0022480300000000, -0.0029804300000000, 0.0026946000000000 ] - [ -0.0001104000000000, 0.0001149900000000, 0.0003212900000000 ] - [ 0.0000850800000000, -0.0016163300000000, -0.0001694400000000 ] - [ -0.0000047500000000, -0.0002696700000000, -0.0001603300000000 ] - [ 0.0003053100000000, 0.0006491700000000, 0.0004722100000000 ] - [ -0.0022903400000000, 0.0007551700000000, -0.0005629000000000 ] - [ -0.0003330500000000, -0.0007867400000000, -0.0003026800000000 ] - [ 0.0004100600000000, -0.0005109400000000, -0.0002770800000000 ] - [ 0.0015623300000000, -0.0010173100000000, 0.0012006400000000 ] - [ -0.0005212100000000, -0.0000103300000000, -0.0004718500000000 ] - [ 0.0001597100000000, -0.0003084700000000, -0.0000705700000000 ] - [ 0.0002366000000000, -0.0010630200000000, -0.0000883400000000 ] - [ -0.0013909900000000, -0.0020485500000000, -0.0013103500000000 ] - [ 0.0002215000000000, -0.0003395300000000, 0.0002582700000000 ] - [ 0.0000908400000000, 0.0004558600000000, 0.0001779200000000 ] - [ 0.0001371100000000, 0.0018550400000000, 0.0000414100000000 ] - [ 0.0000104600000000, -0.0002988500000000, -0.0003414200000000 ] - [ 0.0011237300000000, -0.0014709200000000, -0.0009335000000000 ] - [ 0.0003836700000000, -0.0008494600000000, 0.0000666600000000 ] - [ -0.0018779200000000, -0.0022407300000000, -0.0002013900000000 ] - [ 0.0017516700000000, -0.0027434000000000, -0.0001404400000000 ] - [ -0.0011643700000000, -0.0003793500000000, -0.0001619100000000 ] - [ -0.0054078100000000, 0.0031298500000000, 0.0016538800000000 ] - [ 0.0006030800000000, 0.0004033500000000, 0.0002598400000000 ] - [ -0.0010826700000000, 0.0003796800000000, -0.0001377200000000 ] - [ 0.0028768900000000, 0.0007030600000000, 0.0025595800000000 ] - [ -0.0003657600000000, -0.0029289500000000, 0.0000476100000000 ] - [ -0.0007258200000000, -0.0009427200000000, -0.0004236200000000 ] - [ 0.0001242100000000, -0.0016010900000000, 0.0005631800000000 ] - [ -0.0005043900000000, -0.0021020500000000, -0.0000512000000000 ] - [ -0.0003701300000000, 0.0007363800000000, 0.0003165800000000 ] - [ 0.0029316000000000, -0.0085395500000000, -0.0078376700000000 ] - [ 0.0013839600000000, -0.0055088700000000, 0.0066354300000000 ] - [ -0.0001940800000000, 0.0000748500000000, -0.0002494300000000 ] - [ -0.0010950500000000, 0.0026846200000000, -0.0002357200000000 ] - [ 0.0034104300000000, 0.0061974200000000, -0.0031224500000000 ] - [ -0.0022397600000000, 0.0134195800000000, -0.0022792900000000 ] - [ 0.0004744000000000, 0.0010197200000000, 0.0006750800000000 ] - [ -0.0024766700000000, 0.0021919100000000, 0.0013781900000000 ] - [ 0.0010995000000000, -0.0006151200000000, 0.0001797300000000 ] - [ 0.0001355200000000, -0.0001672200000000, 0.0004262200000000 ] - [ 0.0020171200000000, -0.0039397300000000, 0.0021318100000000 ] - [ -0.0002011900000000, 0.0003936800000000, -0.0001638100000000 ] - [ 0.0003847300000000, 0.0009427300000000, 0.0001704200000000 ] - [ 0.0000357700000000, 0.0003949400000000, -0.0004445700000000 ] - [ 0.0003499600000000, 0.0010074900000000, -0.0005560800000000 ] - [ -0.0002391700000000, 0.0015022900000000, 0.0003705000000000 ] - [ 0.0003919100000000, 0.0005729800000000, 0.0000978500000000 ] - [ 0.0006245300000000, -0.0025386000000000, -0.0001405600000000 ] - [ -0.0004227800000000, -0.0014461800000000, -0.0010755300000000 ] - [ -0.0004105900000000, -0.0012750500000000, 0.0003103000000000 ] - [ 0.0017596600000000, -0.0030548000000000, 0.0005157300000000 ] - [ 0.0015914100000000, 0.0000211600000000, 0.0002504300000000 ] - [ -0.0011019900000000, 0.0004156800000000, -0.0004003600000000 ] - [ 0.0007536900000000, -0.0070023300000000, 0.0001379200000000 ] - [ -0.0000455400000000, -0.0004617500000000, 0.0000759000000000 ] - [ -0.0002628600000000, -0.0003810100000000, -0.0001038200000000 ] - [ -0.0025173500000000, -0.0004754800000000, -0.0012083600000000 ] - [ 0.0011126100000000, -0.0006614500000000, 0.0003004900000000 ] - [ -0.0009694100000000, -0.0011865800000000, 0.0004935600000000 ] - [ 0.0003751400000000, 0.0009803500000000, -0.0004188600000000 ] - [ 0.0000695200000000, 0.0011671700000000, -0.0005024400000000 ] - [ 0.0005456500000000, -0.0068827300000000, -0.0005100100000000 ] - [ 0.0000783300000000, -0.0006826600000000, 0.0000423800000000 ] - [ 0.0004478600000000, 0.0017245100000000, -0.0013333300000000 ] - [ 0.0002075900000000, 0.0004149600000000, 0.0003550800000000 ] - [ -0.0000258400000000, 0.0017605400000000, -0.0010911000000000 ] - [ 0.0002354300000000, 0.0003979300000000, -0.0002903400000000 ] - [ -0.0009621900000000, 0.0011962600000000, -0.0000245200000000 ] - [ 0.0011255000000000, 0.0014208700000000, 0.0002292100000000 ] - [ -0.0000684700000000, -0.0001629000000000, -0.0005351400000000 ] - [ -0.0027155500000000, -0.0111329200000000, -0.0034872000000000 ] - [ 0.0003738300000000, 0.0020609100000000, 0.0004879500000000 ] - [ 0.0002530600000000, 0.0007753400000000, 0.0001915700000000 ] - [ 0.0010461700000000, -0.0018831100000000, -0.0003898600000000 ] - [ -0.0002887400000000, -0.0001442700000000, 0.0000595200000000 ] - [ -0.0000426900000000, 0.0006840600000000, -0.0002764500000000 ] - [ 0.0005911500000000, 0.0007903300000000, 0.0003230900000000 ] - [ 0.0004712100000000, -0.0033369500000000, -0.0001127700000000 ] - [ -0.0002778100000000, -0.0005367700000000, 0.0000278700000000 ] - [ -0.0003401700000000, 0.0033739400000000, -0.0011566800000000 ] - [ -0.0004067500000000, 0.0000786500000000, 0.0006803600000000 ] - [ 0.0003071900000000, -0.0003052500000000, -0.0007278800000000 ] - [ 0.0000495000000000, 0.0004168600000000, 0.0029021000000000 ] - [ 0.0001601700000000, -0.0000605300000000, -0.0000715000000000 ] - [ 0.0013104000000000, 0.0035817700000000, 0.0008542600000000 ] - [ -0.0002286800000000, 0.0010415400000000, -0.0005627800000000 ] - [ 0.0003725700000000, 0.0003239800000000, -0.0000571200000000 ] - [ -0.0001565100000000, -0.0023839600000000, 0.0009252800000000 ] - [ -0.0011139900000000, -0.0010302900000000, 0.0006473000000000 ]- atom: 1 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ 0.0160509700000000, -0.0018983700000000, -0.0344249000000000 ] - [ -0.0004823400000000, 0.0000078500000000, 0.0001441400000000 ] - [ -0.0012388400000000, -0.0032971000000000, 0.0004882100000000 ] - [ -0.0002249600000000, 0.0000356700000000, 0.0002770900000000 ] - [ 0.0000180300000000, -0.0001090800000000, -0.0004617800000000 ] - [ -0.0000057100000000, -0.0000227900000000, -0.0001077400000000 ] - [ -0.0009015700000000, 0.0001504600000000, 0.0013471900000000 ] - [ 0.0007326300000000, -0.0000229700000000, -0.0003633700000000 ] - [ -0.0001493000000000, -0.0000606000000000, -0.0000903200000000 ] - [ 0.0003720000000000, 0.0000444200000000, -0.0003713200000000 ] - [ 0.0009045300000000, -0.0006799300000000, -0.0007961600000000 ] - [ -0.0002593600000000, -0.0004276900000000, 0.0003504300000000 ] - [ 0.0002013500000000, -0.0000412200000000, -0.0000988600000000 ] - [ 0.0000927300000000, -0.0000907300000000, 0.0001964400000000 ] - [ 0.0008498800000000, 0.0007311200000000, -0.0006559700000000 ] - [ -0.0001617200000000, 0.0001190700000000, 0.0002789500000000 ] - [ 0.0007240700000000, 0.0000554000000000, 0.0000332000000000 ] - [ -0.0006320400000000, 0.0001044100000000, 0.0035828800000000 ] - [ 0.0001134500000000, -0.0001001100000000, -0.0003706400000000 ] - [ -0.0006219600000000, 0.0014213100000000, 0.0000404800000000 ] - [ -0.0002086100000000, -0.0002035600000000, 0.0001331700000000 ] - [ 0.0006976300000000, 0.0000661100000000, -0.0000680900000000 ] - [ -0.0012414300000000, 0.0008088400000000, 0.0002749000000000 ] - [ 0.0002349800000000, -0.0001484100000000, -0.0001973600000000 ] - [ -0.0093311800000000, -0.0019109200000000, 0.0083444400000000 ] - [ 0.0000447100000000, 0.0001337000000000, -0.0009381700000000 ] - [ -0.0012119900000000, 0.0012692700000000, 0.0028069500000000 ] - [ 0.0025492700000000, 0.0008024700000000, -0.0020541900000000 ] - [ -0.0007676200000000, -0.0003844000000000, 0.0008379700000000 ] - [ -0.0000969700000000, -0.0002263600000000, 0.0002502300000000 ] - [ -0.0004877000000000, -0.0002020300000000, -0.0002583000000000 ] - [ 0.0001498800000000, -0.0002568600000000, -0.0005211700000000 ] - [ -0.0001116400000000, 0.0001758500000000, 0.0005614500000000 ] - [ -0.0005257800000000, 0.0050138800000000, 0.0032210400000000 ] - [ 0.0035333200000000, -0.0082302800000000, -0.0000280300000000 ] - [ 0.0003112500000000, 0.0007845400000000, -0.0000002800000000 ] - [ -0.0050762300000000, -0.0013271800000000, -0.0048182500000000 ] - [ -0.0048725600000000, 0.0035140200000000, -0.0035078300000000 ] - [ 0.0002610300000000, 0.0016276200000000, 0.0236944800000000 ] - [ 0.0009845500000000, 0.0001650600000000, 0.0007050900000000 ] - [ 0.0017107200000000, -0.0015590200000000, -0.0002952800000000 ] - [ 0.0005701600000000, -0.0003187400000000, 0.0001677800000000 ] - [ 0.0017569200000000, 0.0008370100000000, -0.0006959000000000 ] - [ -0.0022296300000000, -0.0002898500000000, 0.0031006800000000 ] - [ -0.0000076000000000, -0.0001039000000000, -0.0000190100000000 ] - [ 0.0000154900000000, 0.0000878900000000, -0.0000651200000000 ] - [ 0.0002961000000000, -0.0000394100000000, -0.0003096800000000 ] - [ -0.0001466400000000, -0.0001097800000000, 0.0000572400000000 ] - [ 0.0005607900000000, 0.0000587000000000, -0.0007286100000000 ] - [ 0.0000124100000000, 0.0002850500000000, -0.0001699300000000 ] - [ -0.0009688900000000, -0.0015731600000000, -0.0042231000000000 ] - [ -0.0012601700000000, -0.0001183100000000, -0.0002771800000000 ] - [ 0.0006863600000000, -0.0003612900000000, 0.0013409500000000 ] - [ 0.0033357900000000, -0.0000171000000000, 0.0006130000000000 ] - [ 0.0026981700000000, 0.0010407300000000, -0.0018223700000000 ] - [ -0.0002711400000000, 0.0001446700000000, 0.0005773300000000 ] - [ -0.0009335200000000, 0.0002854300000000, 0.0014003400000000 ] - [ -0.0000130900000000, -0.0001258600000000, -0.0000692700000000 ] - [ -0.0006836100000000, -0.0007705900000000, -0.0006210800000000 ] - [ -0.0026637700000000, -0.0003222800000000, 0.0000329000000000 ] - [ 0.0000725600000000, 0.0008850300000000, 0.0021075800000000 ] - [ 0.0009085000000000, -0.0007498800000000, 0.0003558000000000 ] - [ 0.0001401300000000, 0.0000667300000000, -0.0000902700000000 ] - [ 0.0001020300000000, -0.0000609300000000, -0.0001871700000000 ] - [ -0.0012745800000000, -0.0000364400000000, 0.0007667100000000 ] - [ -0.0000454500000000, -0.0000387400000000, -0.0000492400000000 ] - [ 0.0002191900000000, 0.0020871700000000, -0.0006014000000000 ] - [ 0.0000519600000000, 0.0000247000000000, 0.0004516700000000 ] - [ 0.0000562900000000, 0.0007112900000000, -0.0003951200000000 ] - [ 0.0000331400000000, 0.0002080000000000, -0.0004530400000000 ] - [ 0.0004508000000000, 0.0005769300000000, -0.0001543800000000 ] - [ -0.0005108500000000, 0.0005598300000000, 0.0000998800000000 ] - [ -0.0000178600000000, 0.0001612400000000, -0.0005648800000000 ] - [ -0.0002577200000000, 0.0023669300000000, 0.0023233200000000 ] - [ 0.0002940800000000, 0.0000089800000000, -0.0000891600000000 ] - [ 0.0000930300000000, 0.0001986800000000, -0.0000314900000000 ] - [ -0.0008127400000000, 0.0021704700000000, 0.0014651700000000 ] - [ -0.0001236400000000, -0.0003722100000000, 0.0001233000000000 ] - [ 0.0002074200000000, 0.0000149700000000, -0.0004310100000000 ] - [ -0.0001358200000000, 0.0000375100000000, -0.0004232400000000 ] - [ 0.0035690300000000, -0.0011163300000000, -0.0059214400000000 ] - [ -0.0005637500000000, -0.0000845900000000, 0.0005904200000000 ] - [ -0.0010343500000000, 0.0013436200000000, 0.0022456800000000 ] - [ -0.0004303800000000, -0.0002419900000000, 0.0004921700000000 ] - [ 0.0000966400000000, 0.0000688700000000, -0.0008339100000000 ] - [ 0.0005682100000000, -0.0007134900000000, -0.0017875000000000 ] - [ 0.0003363700000000, -0.0000025200000000, -0.0001218400000000 ] - [ -0.0001693500000000, -0.0011064800000000, -0.0003380400000000 ] - [ 0.0004398800000000, -0.0003409100000000, 0.0002574300000000 ] - [ 0.0000013800000000, -0.0001830300000000, 0.0001555900000000 ] - [ -0.0055658700000000, -0.0002144500000000, 0.0039893300000000 ] - [ 0.0006201500000000, -0.0006496600000000, 0.0016194400000000 ]- atom: 1 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ -0.0157548800000000, 0.0021165200000000, 0.0350316100000000 ] - [ 0.0001905900000000, -0.0000648900000000, -0.0000204500000000 ] - [ 0.0009198400000000, 0.0032392900000000, 0.0001472800000000 ] - [ -0.0000919700000000, -0.0001121100000000, 0.0003492100000000 ] - [ -0.0000088600000000, 0.0000403900000000, 0.0001646500000000 ] - [ 0.0000158300000000, -0.0000449700000000, -0.0001895100000000 ] - [ 0.0005177500000000, -0.0001025700000000, -0.0006932200000000 ] - [ -0.0011234900000000, 0.0000652900000000, 0.0010123100000000 ] - [ 0.0005304800000000, 0.0001060500000000, -0.0005657400000000 ] - [ 0.0000090200000000, 0.0000019900000000, -0.0002837000000000 ] - [ -0.0009033400000000, 0.0005429300000000, 0.0006569400000000 ] - [ 0.0002583700000000, 0.0002960300000000, -0.0004958600000000 ] - [ 0.0000913700000000, -0.0000142100000000, -0.0000242600000000 ] - [ 0.0001997800000000, 0.0000346000000000, -0.0003212800000000 ] - [ -0.0008481600000000, -0.0008602300000000, 0.0008082500000000 ] - [ 0.0001636400000000, -0.0002536800000000, -0.0001297700000000 ] - [ -0.0007335800000000, -0.0001253700000000, 0.0002648400000000 ] - [ 0.0006341700000000, -0.0001739100000000, -0.0032662400000000 ] - [ 0.0002043800000000, 0.0000246300000000, -0.0002551800000000 ] - [ 0.0009398700000000, -0.0015033100000000, -0.0006649800000000 ] - [ 0.0001250500000000, -0.0002261400000000, -0.0002238500000000 ] - [ -0.0007884500000000, -0.0005003100000000, -0.0000241000000000 ] - [ 0.0008834600000000, -0.0008028500000000, -0.0004577700000000 ] - [ -0.0005954700000000, 0.0001543500000000, 0.0000153600000000 ] - [ 0.0093310600000000, 0.0014190900000000, -0.0082298400000000 ] - [ 0.0000368400000000, -0.0005677000000000, 0.0010276600000000 ] - [ 0.0015653400000000, -0.0012645700000000, -0.0026323700000000 ] - [ -0.0021905100000000, -0.0007882300000000, 0.0022039700000000 ] - [ -0.0000473300000000, 0.0000482300000000, -0.0007806000000000 ] - [ -0.0007179400000000, -0.0001076900000000, -0.0001950400000000 ] - [ 0.0002066900000000, -0.0001348200000000, 0.0001644500000000 ] - [ -0.0004340300000000, -0.0000806700000000, 0.0004299600000000 ] - [ -0.0002171900000000, 0.0008153300000000, -0.0003749600000000 ] - [ 0.0002279500000000, -0.0040150300000000, -0.0030819800000000 ] - [ -0.0031906600000000, 0.0091915400000000, -0.0001741000000000 ] - [ 0.0000172100000000, 0.0002045500000000, -0.0001859300000000 ] - [ 0.0059055500000000, 0.0009934900000000, 0.0047665400000000 ] - [ 0.0056815800000000, -0.0038766900000000, 0.0035198200000000 ] - [ -0.0000771800000000, -0.0020049500000000, -0.0238511100000000 ] - [ -0.0006983800000000, -0.0005035500000000, -0.0006119100000000 ] - [ -0.0001875500000000, 0.0005204500000000, 0.0006765200000000 ] - [ 0.0009634200000000, -0.0007203200000000, 0.0002074700000000 ] - [ -0.0021176600000000, -0.0003445800000000, 0.0010784400000000 ] - [ 0.0018514700000000, 0.0008012300000000, -0.0027340200000000 ] - [ -0.0000341100000000, -0.0002052200000000, -0.0002534300000000 ] - [ -0.0000557500000000, -0.0003989700000000, -0.0002091000000000 ] - [ 0.0000133900000000, -0.0001007100000000, -0.0001533800000000 ] - [ 0.0004591300000000, -0.0000295500000000, -0.0005218900000000 ] - [ -0.0002067300000000, 0.0004377400000000, 0.0003489100000000 ] - [ 0.0003397500000000, 0.0002110000000000, -0.0002095300000000 ] - [ 0.0007124200000000, 0.0011919500000000, 0.0040891600000000 ] - [ 0.0009931700000000, -0.0002637600000000, 0.0001417800000000 ] - [ -0.0010060700000000, 0.0007979300000000, -0.0014267500000000 ] - [ -0.0036680400000000, 0.0004571700000000, -0.0007260300000000 ] - [ -0.0026708900000000, 0.0001377800000000, 0.0017190500000000 ] - [ 0.0002950800000000, 0.0010303600000000, -0.0006756200000000 ] - [ 0.0009820600000000, -0.0007199900000000, -0.0014022200000000 ] - [ 0.0000527800000000, -0.0001815800000000, 0.0003401400000000 ] - [ -0.0008475600000000, -0.0002667000000000, 0.0002456400000000 ] - [ 0.0011220400000000, -0.0007144700000000, -0.0004038500000000 ] - [ -0.0002030000000000, -0.0005655400000000, -0.0014023400000000 ] - [ -0.0010394200000000, 0.0010717900000000, 0.0003331200000000 ] - [ 0.0000650000000000, 0.0000395700000000, -0.0003502100000000 ] - [ 0.0001039900000000, 0.0001676800000000, -0.0002537800000000 ] - [ 0.0010464200000000, 0.0002014300000000, -0.0005631800000000 ] - [ -0.0001620700000000, 0.0001453500000000, 0.0004894500000000 ] - [ 0.0000085800000000, -0.0018581600000000, 0.0013742900000000 ] - [ 0.0001763600000000, 0.0001999300000000, 0.0003190300000000 ] - [ 0.0000721600000000, -0.0003924000000000, -0.0003110700000000 ] - [ 0.0000943700000000, 0.0001093100000000, -0.0002504200000000 ] - [ -0.0004704500000000, 0.0005979100000000, 0.0002588500000000 ] - [ 0.0004961400000000, 0.0006176800000000, 0.0000054700000000 ] - [ -0.0002113500000000, 0.0000634500000000, -0.0002073600000000 ] - [ 0.0000403900000000, -0.0021147700000000, -0.0030986100000000 ] - [ 0.0000250400000000, 0.0004301800000000, 0.0001772300000000 ] - [ 0.0002250000000000, 0.0002387100000000, 0.0001194300000000 ] - [ 0.0002638100000000, -0.0025579900000000, -0.0011999900000000 ] - [ -0.0003502100000000, 0.0001103100000000, -0.0000511000000000 ] - [ 0.0001189700000000, 0.0000832500000000, -0.0000110700000000 ] - [ 0.0004661200000000, 0.0000600300000000, -0.0000165200000000 ] - [ -0.0038543500000000, 0.0009865400000000, 0.0063803800000000 ] - [ 0.0002498700000000, -0.0000560100000000, -0.0001256400000000 ] - [ 0.0001240300000000, -0.0016669000000000, -0.0011073500000000 ] - [ -0.0004768800000000, -0.0000813100000000, 0.0006335800000000 ] - [ 0.0008092300000000, -0.0003927600000000, -0.0002939100000000 ] - [ 0.0003313900000000, 0.0003784600000000, 0.0006788600000000 ] - [ 0.0001356000000000, -0.0002607300000000, 0.0000501100000000 ] - [ 0.0006432500000000, 0.0008564000000000, 0.0002760900000000 ] - [ -0.0001793200000000, -0.0000435000000000, -0.0001174400000000 ] - [ 0.0002597400000000, -0.0002010400000000, -0.0000165300000000 ] - [ 0.0049066600000000, 0.0002739000000000, -0.0034935200000000 ] - [ -0.0009398300000000, 0.0007536200000000, -0.0011862800000000 ]- atom: 3 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ -0.0011504900000000, 0.0020717800000000, -0.0016026800000000 ] - [ 0.0006510400000000, -0.0000769400000000, 0.0003614900000000 ] - [ -0.0263206200000000, 0.0013334300000000, -0.0041163300000000 ] - [ 0.0006864800000000, -0.0000477200000000, 0.0006259700000000 ] - [ -0.0007936900000000, -0.0011267200000000, -0.0013001200000000 ] - [ 0.0007954400000000, 0.0000598400000000, 0.0001725100000000 ] - [ 0.0001555700000000, 0.0001336800000000, 0.0011002600000000 ] - [ -0.0004136300000000, -0.0005842800000000, 0.0020940100000000 ] - [ -0.0000296800000000, -0.0002172500000000, -0.0001528400000000 ] - [ 0.0004074400000000, 0.0002482700000000, -0.0000537600000000 ] - [ 0.0046209600000000, -0.0000796900000000, 0.0003201600000000 ] - [ 0.0055075700000000, -0.0000590900000000, -0.0007386600000000 ] - [ 0.0009786100000000, -0.0001746600000000, 0.0002776800000000 ] - [ -0.0005545000000000, 0.0009331400000000, -0.0012509000000000 ] - [ 0.0001719200000000, -0.0000824100000000, -0.0001258600000000 ] - [ 0.0004302800000000, -0.0000569300000000, 0.0000466400000000 ] - [ 0.0009088000000000, 0.0001604600000000, 0.0005421500000000 ] - [ -0.0001867200000000, -0.0014756800000000, -0.0014780800000000 ] - [ 0.0007115200000000, -0.0000353100000000, -0.0000540700000000 ] - [ -0.0009992300000000, -0.0000626500000000, -0.0008215100000000 ] - [ 0.0015509300000000, 0.0001316500000000, 0.0012934600000000 ] - [ -0.0021017500000000, -0.0002720200000000, 0.0006110700000000 ] - [ -0.0009406400000000, 0.0004060600000000, 0.0006742700000000 ] - [ 0.0012759600000000, -0.0005352700000000, 0.0013330000000000 ] - [ -0.0009917200000000, 0.0007003500000000, 0.0002340000000000 ] - [ 0.0011206300000000, -0.0010282800000000, 0.0013815300000000 ] - [ 0.0004731700000000, 0.0011772900000000, 0.0010554700000000 ] - [ -0.0000829100000000, -0.0008701800000000, 0.0009078300000000 ] - [ -0.0024172200000000, -0.0072207900000000, 0.0063451500000000 ] - [ 0.0006065800000000, 0.0007019700000000, 0.0002030000000000 ] - [ 0.0007559800000000, -0.0008388500000000, 0.0000395400000000 ] - [ 0.0008053900000000, 0.0058520900000000, 0.0049125400000000 ] - [ 0.0027236600000000, 0.0003691600000000, 0.0018650900000000 ] - [ -0.0023459200000000, 0.0006625400000000, -0.0098892700000000 ] - [ -0.0016563600000000, 0.0006946800000000, -0.0009224200000000 ] - [ 0.0019729400000000, 0.0002863100000000, 0.0006872000000000 ] - [ 0.0012578200000000, 0.0003601100000000, 0.0000061800000000 ] - [ 0.0015742100000000, -0.0063769000000000, 0.0034823700000000 ] - [ -0.0022536000000000, 0.0068013900000000, 0.0044081700000000 ] - [ 0.0009448100000000, -0.0009236000000000, 0.0000560500000000 ] - [ 0.0027470000000000, -0.0010576000000000, 0.0016375300000000 ] - [ -0.0013225200000000, 0.0000348700000000, -0.0005974800000000 ] - [ -0.0006040100000000, 0.0000601300000000, -0.0000657500000000 ] - [ 0.0009309700000000, 0.0019565700000000, -0.0017756300000000 ] - [ -0.0008699200000000, 0.0001046500000000, -0.0002513400000000 ] - [ 0.0047874700000000, 0.0007705400000000, -0.0004517400000000 ] - [ -0.0003752300000000, 0.0001801700000000, -0.0006196400000000 ] - [ 0.0016120800000000, -0.0008726300000000, -0.0019795000000000 ] - [ 0.0021759000000000, 0.0005833500000000, -0.0019020200000000 ] - [ -0.0004474600000000, 0.0000421100000000, -0.0007351800000000 ] - [ -0.0006082200000000, -0.0021510000000000, -0.0022532500000000 ] - [ -0.0003180200000000, 0.0000586600000000, -0.0001732600000000 ] - [ -0.0008877500000000, -0.0000584700000000, -0.0000640800000000 ] - [ 0.0034105700000000, 0.0004066800000000, -0.0000153400000000 ] - [ 0.0002139500000000, 0.0002491200000000, -0.0002516500000000 ] - [ -0.0001994900000000, 0.0008856600000000, -0.0004227500000000 ] - [ 0.0012158400000000, -0.0027240300000000, 0.0003699800000000 ] - [ -0.0004492400000000, 0.0001859100000000, -0.0001089200000000 ] - [ -0.0020161100000000, -0.0010778400000000, -0.0005411500000000 ] - [ 0.0004562100000000, -0.0000070200000000, -0.0001687300000000 ] - [ -0.0004535800000000, -0.0000996600000000, 0.0002150400000000 ] - [ -0.0004062600000000, 0.0026646700000000, 0.0007184100000000 ] - [ -0.0002527100000000, 0.0003880300000000, -0.0003206100000000 ] - [ -0.0002745000000000, -0.0027022400000000, -0.0004822900000000 ] - [ 0.0024626600000000, -0.0023056900000000, -0.0008590800000000 ] - [ -0.0009161300000000, 0.0004880100000000, 0.0002769700000000 ] - [ 0.0008028300000000, 0.0000723500000000, 0.0007365700000000 ] - [ -0.0004586400000000, 0.0001597100000000, 0.0001004900000000 ] - [ 0.0051012000000000, -0.0000264900000000, -0.0011656400000000 ] - [ -0.0008338500000000, -0.0002010000000000, -0.0003838200000000 ] - [ -0.0002993000000000, 0.0008481400000000, -0.0006353800000000 ] - [ 0.0000840900000000, 0.0000569600000000, -0.0010306200000000 ] - [ -0.0009335900000000, 0.0000914300000000, -0.0009389000000000 ] - [ 0.0024642200000000, 0.0006355700000000, 0.0033062600000000 ] - [ 0.0015343200000000, 0.0030527800000000, -0.0004128300000000 ] - [ -0.0003240900000000, -0.0002037800000000, -0.0001524700000000 ] - [ 0.0009005600000000, -0.0007294600000000, 0.0002440700000000 ] - [ -0.0013926200000000, 0.0004345100000000, -0.0003351700000000 ] - [ -0.0007960100000000, 0.0008173600000000, -0.0025252700000000 ] - [ 0.0000681500000000, -0.0002294900000000, -0.0004854800000000 ] - [ 0.0017334900000000, -0.0011538500000000, -0.0013139300000000 ] - [ -0.0006534900000000, 0.0000432600000000, -0.0000170900000000 ] - [ 0.0001170900000000, -0.0000887400000000, 0.0011714700000000 ] - [ -0.0010846700000000, -0.0002427100000000, 0.0000427100000000 ] - [ -0.0007620200000000, 0.0000376000000000, -0.0017667400000000 ] - [ -0.0000738300000000, -0.0004108200000000, 0.0062039500000000 ] - [ -0.0011520400000000, -0.0006292200000000, -0.0004826100000000 ] - [ 0.0016561400000000, 0.0001954700000000, 0.0015257100000000 ] - [ -0.0001434400000000, 0.0000513800000000, -0.0000330200000000 ] - [ -0.0010245800000000, -0.0005998500000000, -0.0018381500000000 ] - [ -0.0003913100000000, -0.0003296600000000, 0.0002919500000000 ] - [ -0.0015991400000000, 0.0014066500000000, -0.0018148600000000 ]- atom: 3 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ 0.0008711100000000, -0.0021291700000000, 0.0017263200000000 ] - [ -0.0009431300000000, 0.0000181600000000, -0.0002380600000000 ] - [ 0.0259980200000000, -0.0015983500000000, 0.0047123700000000 ] - [ -0.0010036400000000, -0.0000286300000000, 0.0000009700000000 ] - [ 0.0008069400000000, 0.0010589100000000, 0.0010014900000000 ] - [ -0.0007856600000000, -0.0001259500000000, -0.0004691900000000 ] - [ -0.0005348000000000, -0.0000877100000000, -0.0004434900000000 ] - [ 0.0000230600000000, 0.0006290600000000, -0.0014379200000000 ] - [ 0.0004113300000000, 0.0002637000000000, -0.0005017500000000 ] - [ -0.0000265100000000, -0.0002012300000000, -0.0006026800000000 ] - [ -0.0046779100000000, -0.0000515900000000, -0.0004722500000000 ] - [ -0.0054386500000000, -0.0000734300000000, 0.0005843800000000 ] - [ -0.0006855200000000, 0.0001210200000000, -0.0004010800000000 ] - [ 0.0008422900000000, -0.0009874700000000, 0.0011271000000000 ] - [ -0.0001685400000000, -0.0000521400000000, 0.0002767800000000 ] - [ -0.0004288000000000, -0.0000778200000000, 0.0001046900000000 ] - [ -0.0009172400000000, -0.0002315000000000, -0.0002449100000000 ] - [ 0.0001718600000000, 0.0014022200000000, 0.0017714000000000 ] - [ -0.0003938400000000, -0.0000402100000000, -0.0005719300000000 ] - [ 0.0013167500000000, -0.0000133300000000, 0.0001949300000000 ] - [ -0.0016312600000000, -0.0005579900000000, -0.0013810100000000 ] - [ 0.0020090900000000, -0.0001608000000000, -0.0007107600000000 ] - [ 0.0005872400000000, -0.0003980400000000, -0.0008421500000000 ] - [ -0.0016371200000000, 0.0005475200000000, -0.0015138300000000 ] - [ 0.0010753700000000, -0.0011304500000000, -0.0001377600000000 ] - [ -0.0010353500000000, 0.0005953700000000, -0.0012932500000000 ] - [ -0.0001136000000000, -0.0011716800000000, -0.0008711200000000 ] - [ 0.0004396300000000, 0.0008744700000000, -0.0007281200000000 ] - [ 0.0016093500000000, 0.0068798000000000, -0.0062779100000000 ] - [ -0.0014214300000000, -0.0010313400000000, -0.0001497100000000 ] - [ -0.0010355000000000, 0.0005081100000000, -0.0001289900000000 ] - [ -0.0010829500000000, -0.0061843000000000, -0.0050176100000000 ] - [ -0.0030489000000000, 0.0006255500000000, -0.0016811200000000 ] - [ 0.0020269500000000, 0.0003149600000000, 0.0100583900000000 ] - [ 0.0019817800000000, 0.0002951700000000, 0.0007351100000000 ] - [ -0.0016413200000000, 0.0007033200000000, -0.0008731000000000 ] - [ -0.0004418300000000, -0.0007027000000000, -0.0000598900000000 ] - [ -0.0007539600000000, 0.0060382100000000, -0.0035423900000000 ] - [ 0.0025381900000000, -0.0071332800000000, -0.0043108500000000 ] - [ -0.0006634800000000, 0.0005793000000000, 0.0000332800000000 ] - [ -0.0012166600000000, 0.0000220700000000, -0.0012675600000000 ] - [ 0.0028549300000000, -0.0010756400000000, 0.0009713000000000 ] - [ 0.0002501100000000, 0.0004391800000000, 0.0004427200000000 ] - [ -0.0012825400000000, -0.0014567200000000, 0.0021521300000000 ] - [ 0.0008291900000000, -0.0004175000000000, -0.0000221600000000 ] - [ -0.0046296800000000, -0.0008454700000000, 0.0002335500000000 ] - [ 0.0006852000000000, -0.0003222900000000, 0.0001540500000000 ] - [ -0.0012954700000000, 0.0007303700000000, 0.0015148000000000 ] - [ -0.0018316600000000, -0.0000811400000000, 0.0015189900000000 ] - [ 0.0008003200000000, 0.0004537400000000, 0.0003570800000000 ] - [ 0.0003447200000000, 0.0017657700000000, 0.0021089600000000 ] - [ 0.0000591200000000, -0.0004407200000000, 0.0000365600000000 ] - [ 0.0005692000000000, 0.0004998700000000, -0.0000245300000000 ] - [ -0.0035855500000000, -0.0001477600000000, -0.0000127200000000 ] - [ -0.0001967500000000, 0.0009246600000000, 0.0001457800000000 ] - [ 0.0002183600000000, 0.0002910600000000, 0.0003198700000000 ] - [ -0.0011762700000000, 0.0024243400000000, -0.0001006700000000 ] - [ 0.0004902400000000, -0.0004908800000000, 0.0003800300000000 ] - [ 0.0004809600000000, 0.0000397600000000, 0.0001648100000000 ] - [ -0.0019875700000000, -0.0010289100000000, -0.0002068200000000 ] - [ 0.0003237700000000, 0.0004218700000000, 0.0004889800000000 ] - [ 0.0002763700000000, -0.0023451600000000, -0.0000141400000000 ] - [ 0.0004562600000000, -0.0002859800000000, -0.0001193900000000 ] - [ 0.0004776400000000, 0.0028096500000000, 0.0000443100000000 ] - [ -0.0028013500000000, 0.0022792600000000, 0.0012388200000000 ] - [ 0.0007081100000000, -0.0003795900000000, 0.0001648700000000 ] - [ -0.0005730500000000, 0.0001531700000000, 0.0000339400000000 ] - [ 0.0006857000000000, 0.0000651200000000, 0.0006700900000000 ] - [ -0.0051941900000000, 0.0005913100000000, 0.0003912800000000 ] - [ 0.0009598900000000, 0.0005165000000000, -0.0003188500000000 ] - [ 0.0002757600000000, 0.0003236600000000, 0.0007386200000000 ] - [ -0.0000957200000000, 0.0011155500000000, 0.0011340300000000 ] - [ 0.0007031200000000, 0.0001341900000000, 0.0001682800000000 ] - [ -0.0027180700000000, -0.0004148600000000, -0.0040341700000000 ] - [ -0.0012145200000000, -0.0026186200000000, 0.0005016800000000 ] - [ 0.0006425300000000, 0.0006372600000000, 0.0002392700000000 ] - [ -0.0013723200000000, 0.0004676700000000, -0.0001722600000000 ] - [ 0.0009185000000000, -0.0006960200000000, 0.0004075700000000 ] - [ 0.0011176300000000, -0.0007207800000000, 0.0020760900000000 ] - [ 0.0002625800000000, 0.0003253200000000, 0.0000469400000000 ] - [ -0.0020483400000000, 0.0010125600000000, 0.0017790600000000 ] - [ 0.0003405500000000, -0.0001828900000000, 0.0004835000000000 ] - [ -0.0010236100000000, -0.0002340900000000, -0.0000439200000000 ] - [ 0.0001769800000000, -0.0000802800000000, 0.0010837800000000 ] - [ 0.0016693300000000, -0.0003606200000000, 0.0006413200000000 ] - [ 0.0009991600000000, 0.0000908800000000, -0.0073027000000000 ] - [ 0.0016205500000000, 0.0003631900000000, 0.0004110500000000 ] - [ -0.0011829200000000, -0.0004556200000000, -0.0015899100000000 ] - [ 0.0004030100000000, -0.0004359200000000, 0.0001682600000000 ] - [ 0.0012876000000000, 0.0002127500000000, 0.0019841500000000 ] - [ 0.0000638700000000, 0.0004303800000000, 0.0001455500000000 ] - [ 0.0012769000000000, -0.0013093800000000, 0.0022633500000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020152400000000, 0.0029147000000000, -0.0025141700000000 ] - [ -0.0004495800000000, -0.0001830600000000, 0.0000009900000000 ] - [ 0.0012658700000000, -0.0279201000000000, 0.0026618600000000 ] - [ -0.0001683000000000, -0.0007394700000000, 0.0002939900000000 ] - [ -0.0010392000000000, 0.0019516300000000, 0.0011533900000000 ] - [ 0.0003037100000000, 0.0002627600000000, -0.0000924100000000 ] - [ 0.0001030100000000, -0.0009484000000000, 0.0009168600000000 ] - [ -0.0007463200000000, -0.0011665700000000, -0.0011428600000000 ] - [ 0.0001877900000000, 0.0011746600000000, -0.0006877500000000 ] - [ 0.0003463400000000, 0.0009039500000000, -0.0000580200000000 ] - [ 0.0000260100000000, -0.0024177900000000, -0.0001178400000000 ] - [ -0.0000295700000000, -0.0026387600000000, -0.0000960300000000 ] - [ -0.0002286900000000, 0.0002331100000000, -0.0001684400000000 ] - [ 0.0011124600000000, 0.0014048200000000, -0.0012291200000000 ] - [ 0.0000195100000000, 0.0012314600000000, 0.0000987800000000 ] - [ -0.0000077400000000, 0.0010068700000000, 0.0000357100000000 ] - [ 0.0005135300000000, -0.0001978500000000, 0.0003054200000000 ] - [ -0.0016258100000000, 0.0010098900000000, 0.0017500500000000 ] - [ 0.0001563800000000, 0.0006083300000000, -0.0003280200000000 ] - [ 0.0001838400000000, 0.0017786300000000, -0.0003147000000000 ] - [ -0.0009761800000000, -0.0011014900000000, -0.0016607900000000 ] - [ -0.0002890700000000, -0.0011265000000000, 0.0023538500000000 ] - [ -0.0001006000000000, -0.0028373500000000, -0.0031518100000000 ] - [ 0.0007139700000000, -0.0015855300000000, 0.0011225100000000 ] - [ -0.0004902300000000, 0.0016880000000000, 0.0017695500000000 ] - [ -0.0005204900000000, 0.0007126600000000, -0.0014851900000000 ] - [ 0.0006559200000000, 0.0017071800000000, 0.0011879300000000 ] - [ 0.0001597800000000, 0.0017708700000000, -0.0016744300000000 ] - [ -0.0039121100000000, 0.0083637700000000, -0.0061893800000000 ] - [ 0.0003909400000000, 0.0003815400000000, 0.0006015600000000 ] - [ -0.0010856400000000, 0.0005082400000000, -0.0005817500000000 ] - [ 0.0035224200000000, 0.0073628800000000, 0.0051482600000000 ] - [ 0.0001650300000000, -0.0015273500000000, 0.0003049000000000 ] - [ 0.0012105400000000, -0.0056066400000000, 0.0002101400000000 ] - [ 0.0005399600000000, 0.0035756100000000, -0.0000894000000000 ] - [ 0.0005815700000000, 0.0024085000000000, 0.0000682600000000 ] - [ 0.0014735400000000, -0.0002252500000000, 0.0006091800000000 ] - [ -0.0027232400000000, 0.0077937500000000, -0.0039404100000000 ] - [ 0.0019879300000000, 0.0075722000000000, 0.0048745800000000 ] - [ -0.0004331400000000, -0.0002501900000000, -0.0004649800000000 ] - [ -0.0008296900000000, 0.0017813200000000, 0.0005522600000000 ] - [ 0.0000891200000000, 0.0006123400000000, 0.0000653700000000 ] - [ -0.0004583600000000, 0.0001296200000000, -0.0001978800000000 ] - [ -0.0002818100000000, -0.0018935000000000, 0.0025233400000000 ] - [ 0.0004324200000000, 0.0000357300000000, -0.0000134100000000 ] - [ 0.0013892100000000, 0.0028715600000000, -0.0008300200000000 ] - [ 0.0003935200000000, -0.0002692400000000, 0.0002255500000000 ] - [ 0.0001299100000000, -0.0009810600000000, -0.0025850300000000 ] - [ 0.0005988100000000, -0.0004595600000000, 0.0033377900000000 ] - [ -0.0000919000000000, 0.0002356100000000, -0.0006476400000000 ] - [ -0.0012258700000000, -0.0021263800000000, -0.0024808500000000 ] - [ 0.0002454500000000, -0.0003057200000000, 0.0004080100000000 ] - [ -0.0005746700000000, 0.0006942900000000, -0.0001411800000000 ] - [ -0.0002933100000000, 0.0019927400000000, 0.0003434800000000 ] - [ -0.0002753700000000, -0.0006953700000000, -0.0005700300000000 ] - [ 0.0002722700000000, -0.0003117800000000, 0.0004858200000000 ] - [ -0.0002093900000000, -0.0027405700000000, -0.0000632600000000 ] - [ 0.0002079100000000, -0.0004397000000000, 0.0002977000000000 ] - [ -0.0014347700000000, -0.0016875600000000, -0.0003221100000000 ] - [ -0.0014017700000000, -0.0018406500000000, 0.0000861500000000 ] - [ -0.0004190000000000, -0.0002270300000000, 0.0002125000000000 ] - [ 0.0006963600000000, -0.0028190900000000, 0.0000897200000000 ] - [ 0.0003914900000000, -0.0006288300000000, -0.0000961800000000 ] - [ -0.0006643200000000, -0.0031053700000000, -0.0003866500000000 ] - [ -0.0011243400000000, 0.0005231700000000, -0.0010683600000000 ] - [ 0.0002964400000000, 0.0004663600000000, 0.0002570700000000 ] - [ -0.0002182400000000, -0.0013454800000000, 0.0008843200000000 ] - [ -0.0000461000000000, -0.0007586900000000, 0.0006439600000000 ] - [ -0.0015628100000000, 0.0031615500000000, 0.0005433800000000 ] - [ -0.0004039000000000, 0.0003744100000000, -0.0003917000000000 ] - [ 0.0004333200000000, 0.0016372800000000, 0.0008120000000000 ] - [ -0.0004161900000000, 0.0015980400000000, -0.0008930600000000 ] - [ -0.0002689700000000, 0.0010046600000000, -0.0001429900000000 ] - [ -0.0005543000000000, 0.0042129500000000, 0.0002183100000000 ] - [ 0.0002368300000000, -0.0027834700000000, 0.0005216600000000 ] - [ -0.0000596100000000, -0.0003714200000000, -0.0001054100000000 ] - [ 0.0004423100000000, -0.0019276800000000, -0.0001974800000000 ] - [ 0.0003608600000000, -0.0011735100000000, 0.0002074600000000 ] - [ 0.0019178500000000, -0.0006746300000000, 0.0024008500000000 ] - [ -0.0003078000000000, -0.0001200000000000, -0.0008473200000000 ] - [ 0.0002059000000000, -0.0019566800000000, -0.0022486800000000 ] - [ -0.0000122200000000, 0.0000073900000000, 0.0006317100000000 ] - [ -0.0005029200000000, -0.0015303500000000, 0.0001969100000000 ] - [ -0.0006087000000000, -0.0009454900000000, 0.0002778300000000 ] - [ 0.0002295200000000, 0.0007803900000000, -0.0009082500000000 ] - [ 0.0005050100000000, 0.0028312200000000, -0.0007298300000000 ] - [ 0.0008628300000000, 0.0009130700000000, 0.0000836600000000 ] - [ 0.0008615200000000, 0.0026560100000000, -0.0008876200000000 ] - [ 0.0006596500000000, -0.0002670300000000, 0.0008182400000000 ] - [ -0.0014546800000000, -0.0004162900000000, -0.0024017500000000 ] - [ -0.0007907100000000, -0.0001110600000000, -0.0003602800000000 ] - [ 0.0018238000000000, -0.0014602100000000, 0.0029116400000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0023367600000000, -0.0029934600000000, 0.0026662400000000 ] - [ 0.0001572500000000, 0.0001263000000000, 0.0001220700000000 ] - [ -0.0016614600000000, 0.0278537600000000, -0.0020547700000000 ] - [ -0.0001489800000000, 0.0006622300000000, 0.0003324000000000 ] - [ 0.0010360400000000, -0.0020096300000000, -0.0014433200000000 ] - [ -0.0002938300000000, -0.0003314500000000, -0.0002061000000000 ] - [ -0.0004815300000000, 0.0009968200000000, -0.0002591000000000 ] - [ 0.0003599700000000, 0.0012217700000000, 0.0017945800000000 ] - [ 0.0001913500000000, -0.0011292700000000, 0.0000303400000000 ] - [ 0.0000356700000000, -0.0008590700000000, -0.0005966800000000 ] - [ -0.0000088800000000, 0.0022829700000000, -0.0000192800000000 ] - [ 0.0000093500000000, 0.0025044200000000, -0.0000456300000000 ] - [ 0.0005216400000000, -0.0002891200000000, 0.0000453300000000 ] - [ -0.0008106600000000, -0.0014556800000000, 0.0010996900000000 ] - [ -0.0000205000000000, -0.0013677600000000, 0.0000451000000000 ] - [ 0.0000114200000000, -0.0011420600000000, 0.0001122700000000 ] - [ -0.0005224300000000, 0.0001284700000000, -0.0000084500000000 ] - [ 0.0016306700000000, -0.0010795300000000, -0.0014634500000000 ] - [ 0.0001609600000000, -0.0006857300000000, -0.0002987400000000 ] - [ 0.0001342300000000, -0.0018558100000000, -0.0003116800000000 ] - [ 0.0008932700000000, 0.0006680000000000, 0.0015692700000000 ] - [ 0.0002004200000000, 0.0006789600000000, -0.0024326000000000 ] - [ -0.0002509300000000, 0.0028177800000000, 0.0029592100000000 ] - [ -0.0010761100000000, 0.0015875900000000, -0.0013038300000000 ] - [ 0.0005757700000000, -0.0021233200000000, -0.0016873600000000 ] - [ 0.0006071800000000, -0.0011432300000000, 0.0015762700000000 ] - [ -0.0003015300000000, -0.0017008200000000, -0.0010071500000000 ] - [ 0.0001995500000000, -0.0017662100000000, 0.0018635000000000 ] - [ 0.0030241100000000, -0.0086819800000000, 0.0062315000000000 ] - [ -0.0012043600000000, -0.0007206400000000, -0.0005448300000000 ] - [ 0.0008024000000000, -0.0008493100000000, 0.0004883800000000 ] - [ -0.0037574400000000, -0.0076895500000000, -0.0052451100000000 ] - [ -0.0004945900000000, 0.0025165900000000, -0.0001170100000000 ] - [ -0.0015255200000000, 0.0065454100000000, -0.0000282600000000 ] - [ -0.0002112800000000, -0.0025868600000000, -0.0000961500000000 ] - [ -0.0002524200000000, -0.0014204500000000, -0.0002549600000000 ] - [ -0.0006619200000000, -0.0001089200000000, -0.0006677700000000 ] - [ 0.0035732300000000, -0.0081469100000000, 0.0038908700000000 ] - [ -0.0017577100000000, -0.0079218100000000, -0.0048015600000000 ] - [ 0.0007154400000000, -0.0000858000000000, 0.0005591700000000 ] - [ 0.0023494300000000, -0.0028079000000000, -0.0001776000000000 ] - [ 0.0014448800000000, -0.0016527700000000, 0.0003106500000000 ] - [ 0.0001061500000000, 0.0003647500000000, 0.0005774400000000 ] - [ -0.0000763100000000, 0.0023918900000000, -0.0021502000000000 ] - [ -0.0004737100000000, -0.0003452500000000, -0.0002590700000000 ] - [ -0.0012000100000000, -0.0029475000000000, 0.0006096500000000 ] - [ -0.0000827300000000, 0.0001297800000000, -0.0006904000000000 ] - [ 0.0001731900000000, 0.0008397400000000, 0.0021112800000000 ] - [ -0.0002389000000000, 0.0009604300000000, -0.0036963300000000 ] - [ 0.0004445000000000, 0.0002608600000000, 0.0002696300000000 ] - [ 0.0009674200000000, 0.0017362800000000, 0.0023378700000000 ] - [ -0.0005060700000000, -0.0000824800000000, -0.0005490600000000 ] - [ 0.0002563700000000, -0.0002582900000000, 0.0000533900000000 ] - [ 0.0001621200000000, -0.0017747500000000, -0.0003622600000000 ] - [ 0.0002959400000000, 0.0018709000000000, 0.0004673500000000 ] - [ -0.0002573900000000, 0.0014872800000000, -0.0005923800000000 ] - [ 0.0002599500000000, 0.0024305700000000, 0.0003403400000000 ] - [ -0.0001671000000000, 0.0001278300000000, -0.0000247800000000 ] - [ -0.0000972300000000, 0.0006467700000000, -0.0000536600000000 ] - [ -0.0001321000000000, 0.0008003800000000, -0.0004637200000000 ] - [ 0.0002922600000000, 0.0005421800000000, 0.0004898800000000 ] - [ -0.0008282800000000, 0.0031314600000000, 0.0006108000000000 ] - [ -0.0001852000000000, 0.0007371300000000, -0.0003454500000000 ] - [ 0.0008655200000000, 0.0032215200000000, -0.0000530600000000 ] - [ 0.0008180200000000, -0.0005483600000000, 0.0014582600000000 ] - [ -0.0005013500000000, -0.0003625100000000, 0.0001841000000000 ] - [ 0.0004465700000000, 0.0015674800000000, -0.0001115200000000 ] - [ 0.0002741300000000, 0.0009813500000000, 0.0001281300000000 ] - [ 0.0014920400000000, -0.0026391600000000, -0.0013073100000000 ] - [ 0.0005322100000000, -0.0000571300000000, -0.0003112400000000 ] - [ -0.0004531000000000, -0.0004572200000000, -0.0007066100000000 ] - [ 0.0004015400000000, -0.0004139600000000, 0.0009987700000000 ] - [ 0.0000403500000000, -0.0007824800000000, -0.0006304600000000 ] - [ 0.0003172700000000, -0.0039928400000000, -0.0009771600000000 ] - [ 0.0000930600000000, 0.0032265200000000, -0.0004300700000000 ] - [ 0.0003771600000000, 0.0008101900000000, 0.0001933800000000 ] - [ -0.0009148500000000, 0.0016644100000000, 0.0002693400000000 ] - [ -0.0008349900000000, 0.0009092400000000, -0.0001358400000000 ] - [ -0.0015870200000000, 0.0007745000000000, -0.0028460000000000 ] - [ 0.0006368000000000, 0.0002191600000000, 0.0004053300000000 ] - [ -0.0005132100000000, 0.0018210000000000, 0.0027243600000000 ] - [ -0.0003004700000000, -0.0001503900000000, -0.0001680800000000 ] - [ -0.0004029500000000, 0.0012050300000000, 0.0009278100000000 ] - [ -0.0002984400000000, 0.0006209500000000, 0.0008481600000000 ] - [ 0.0006757100000000, -0.0011053600000000, -0.0002201100000000 ] - [ 0.0004111500000000, -0.0031518900000000, -0.0004025600000000 ] - [ -0.0003903300000000, -0.0011766100000000, -0.0001551100000000 ] - [ -0.0003810800000000, -0.0029012200000000, 0.0008116500000000 ] - [ -0.0003980200000000, -0.0001142900000000, -0.0006765300000000 ] - [ 0.0017120400000000, 0.0000328000000000, 0.0025408900000000 ] - [ 0.0004664200000000, 0.0002072800000000, 0.0008046600000000 ] - [ -0.0021524100000000, 0.0015560000000000, -0.0024689800000000 ]- atom: 3 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ -0.0010745200000000, -0.0030993600000000, 0.0002947600000000 ] - [ -0.0001748500000000, -0.0000148700000000, 0.0000435700000000 ] - [ 0.0070185300000000, 0.0015288800000000, -0.0083008300000000 ] - [ -0.0002341800000000, -0.0000517800000000, 0.0003412500000000 ] - [ -0.0004506900000000, 0.0012568800000000, -0.0000421000000000 ] - [ -0.0000131900000000, -0.0000417400000000, -0.0001502300000000 ] - [ 0.0000824200000000, 0.0001817600000000, 0.0008264700000000 ] - [ 0.0012855600000000, -0.0009699800000000, 0.0020654400000000 ] - [ 0.0002300200000000, -0.0001147900000000, -0.0002475800000000 ] - [ 0.0002569400000000, 0.0000837500000000, -0.0003346400000000 ] - [ -0.0015231800000000, -0.0000878500000000, -0.0011053900000000 ] - [ -0.0026038600000000, -0.0001027300000000, -0.0008473100000000 ] - [ 0.0001693700000000, 0.0000110800000000, -0.0000874200000000 ] - [ -0.0004691300000000, -0.0009852500000000, 0.0003740000000000 ] - [ 0.0000158300000000, -0.0000474000000000, 0.0000328100000000 ] - [ -0.0000431000000000, -0.0000599800000000, 0.0000941300000000 ] - [ 0.0000370300000000, -0.0000669400000000, 0.0001179900000000 ] - [ -0.0011845700000000, 0.0015989100000000, 0.0009655400000000 ] - [ 0.0001593400000000, -0.0000252400000000, -0.0003043800000000 ] - [ 0.0001894700000000, -0.0000255500000000, -0.0003820500000000 ] - [ 0.0004591800000000, -0.0006361700000000, -0.0000935400000000 ] - [ 0.0005483500000000, 0.0014557900000000, 0.0012359900000000 ] - [ -0.0003963800000000, 0.0001995700000000, 0.0025059900000000 ] - [ 0.0011725900000000, 0.0005596200000000, -0.0003517300000000 ] - [ -0.0004436300000000, 0.0002375000000000, 0.0013526400000000 ] - [ 0.0001617800000000, -0.0001882200000000, -0.0000603300000000 ] - [ 0.0003783600000000, 0.0000506700000000, 0.0002598000000000 ] - [ 0.0002273400000000, -0.0001876800000000, 0.0003683000000000 ] - [ 0.0032093300000000, -0.0012872100000000, -0.0029003300000000 ] - [ -0.0003958800000000, -0.0002761400000000, 0.0007330200000000 ] - [ -0.0002192500000000, -0.0000402800000000, 0.0002700500000000 ] - [ 0.0009684500000000, -0.0005032800000000, -0.0019823700000000 ] - [ 0.0002736300000000, 0.0004912800000000, 0.0000227200000000 ] - [ -0.0063939900000000, 0.0028568700000000, 0.0178297700000000 ] - [ 0.0000003600000000, 0.0004678400000000, 0.0001414100000000 ] - [ 0.0002520800000000, 0.0005320400000000, -0.0001078000000000 ] - [ 0.0001910100000000, -0.0004057100000000, -0.0000499500000000 ] - [ 0.0009058500000000, 0.0000742000000000, -0.0006743600000000 ] - [ 0.0020156300000000, 0.0011470600000000, -0.0006857700000000 ] - [ 0.0001081500000000, 0.0000594700000000, 0.0003719200000000 ] - [ 0.0033844600000000, -0.0014936200000000, -0.0027320000000000 ] - [ 0.0003148700000000, -0.0004483800000000, 0.0002393200000000 ] - [ -0.0000933500000000, 0.0003315600000000, 0.0000538100000000 ] - [ -0.0007821600000000, 0.0003159300000000, 0.0005938600000000 ] - [ 0.0000814100000000, -0.0002992000000000, -0.0002634200000000 ] - [ -0.0019143900000000, -0.0007670100000000, 0.0018079600000000 ] - [ 0.0001645800000000, 0.0000370000000000, -0.0003422600000000 ] - [ -0.0007664200000000, -0.0003561100000000, 0.0004911500000000 ] - [ -0.0016218200000000, 0.0017496500000000, -0.0007704600000000 ] - [ -0.0000863000000000, -0.0000009600000000, -0.0004837600000000 ] - [ -0.0003676900000000, -0.0000969700000000, 0.0000704400000000 ] - [ -0.0001356200000000, -0.0001951400000000, -0.0003521400000000 ] - [ -0.0000336500000000, 0.0003566700000000, -0.0000613500000000 ] - [ -0.0014787100000000, 0.0004742400000000, 0.0018900000000000 ] - [ -0.0001057400000000, 0.0003421400000000, -0.0003581400000000 ] - [ -0.0001030900000000, 0.0005933600000000, -0.0001047500000000 ] - [ -0.0000671500000000, -0.0003260300000000, 0.0005515400000000 ] - [ 0.0000240700000000, -0.0002136800000000, 0.0000831900000000 ] - [ -0.0008429600000000, -0.0005447200000000, -0.0002011300000000 ] - [ -0.0006841500000000, -0.0005097800000000, -0.0002341200000000 ] - [ -0.0000695700000000, 0.0002122400000000, 0.0003911200000000 ] - [ -0.0000238000000000, 0.0001603700000000, 0.0005674700000000 ] - [ 0.0001032100000000, 0.0000210500000000, -0.0002721600000000 ] - [ 0.0001674200000000, 0.0004861800000000, 0.0000748400000000 ] - [ -0.0015265200000000, -0.0001376300000000, 0.0025396200000000 ] - [ 0.0001216200000000, -0.0001267400000000, 0.0001204500000000 ] - [ 0.0002214500000000, 0.0002118300000000, 0.0002548600000000 ] - [ 0.0000755200000000, 0.0000822900000000, 0.0004095600000000 ] - [ -0.0019913200000000, 0.0005467800000000, 0.0022080900000000 ] - [ 0.0002516600000000, 0.0003633900000000, -0.0005472800000000 ] - [ -0.0003533500000000, 0.0007798800000000, -0.0004035200000000 ] - [ -0.0011182500000000, -0.0003225800000000, -0.0006653500000000 ] - [ -0.0002333400000000, 0.0001457700000000, -0.0003239300000000 ] - [ 0.0007608700000000, -0.0013393900000000, -0.0043952800000000 ] - [ -0.0002439600000000, -0.0000738400000000, 0.0006400900000000 ] - [ 0.0001330400000000, 0.0001946100000000, -0.0001054200000000 ] - [ 0.0000331800000000, -0.0001207000000000, -0.0002616800000000 ] - [ -0.0002530600000000, -0.0001565100000000, 0.0000616400000000 ] - [ -0.0001716400000000, -0.0001776700000000, 0.0005613300000000 ] - [ 0.0000289600000000, -0.0002838000000000, -0.0008611400000000 ] - [ -0.0008034300000000, -0.0011163900000000, -0.0002400200000000 ] - [ -0.0001533200000000, -0.0000558200000000, 0.0001523200000000 ] - [ -0.0004022600000000, -0.0002432900000000, 0.0004837400000000 ] - [ -0.0004603700000000, -0.0001702500000000, 0.0005646100000000 ] - [ 0.0003666800000000, -0.0001293100000000, -0.0004935100000000 ] - [ 0.0043789800000000, -0.0001437100000000, -0.0098448200000000 ] - [ 0.0000204300000000, -0.0001891200000000, -0.0000195900000000 ] - [ 0.0008321500000000, -0.0007758600000000, -0.0028899500000000 ] - [ 0.0003832600000000, -0.0001338100000000, -0.0005410400000000 ] - [ 0.0001910800000000, -0.0001684300000000, 0.0009598900000000 ] - [ 0.0001630200000000, 0.0002897000000000, -0.0001315700000000 ] - [ -0.0000107100000000, -0.0001532100000000, 0.0005894600000000 ]- atom: 3 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ 0.0007835800000000, 0.0030222600000000, -0.0001862100000000 ] - [ -0.0001197100000000, -0.0000417200000000, 0.0000807700000000 ] - [ -0.0071915400000000, -0.0014959600000000, 0.0084952600000000 ] - [ -0.0000827700000000, -0.0000255100000000, 0.0002854200000000 ] - [ 0.0004605300000000, -0.0013159400000000, -0.0002668100000000 ] - [ 0.0000217800000000, -0.0000253600000000, -0.0001476500000000 ] - [ -0.0004705300000000, -0.0001405100000000, -0.0001683200000000 ] - [ -0.0016466000000000, 0.0010053900000000, -0.0014097000000000 ] - [ 0.0001489500000000, 0.0001631400000000, -0.0004063700000000 ] - [ 0.0001251700000000, -0.0000370100000000, -0.0003220900000000 ] - [ 0.0015275200000000, -0.0000470300000000, 0.0009484800000000 ] - [ 0.0026051400000000, -0.0000306300000000, 0.0007278200000000 ] - [ 0.0001247300000000, -0.0000650600000000, -0.0000351400000000 ] - [ 0.0007606700000000, 0.0009413300000000, -0.0004865500000000 ] - [ -0.0000120100000000, -0.0000858400000000, 0.0001118300000000 ] - [ 0.0000424200000000, -0.0000735700000000, 0.0000544300000000 ] - [ -0.0000430800000000, -0.0000027300000000, 0.0001804800000000 ] - [ 0.0011784900000000, -0.0016878400000000, -0.0006589200000000 ] - [ 0.0001585300000000, -0.0000499300000000, -0.0003216200000000 ] - [ 0.0001281300000000, -0.0000497000000000, -0.0002437200000000 ] - [ -0.0005485500000000, 0.0002136200000000, 0.0000103000000000 ] - [ -0.0005975000000000, -0.0018585900000000, -0.0013256200000000 ] - [ 0.0000075300000000, -0.0001577700000000, -0.0026911100000000 ] - [ -0.0015159200000000, -0.0005475000000000, 0.0001618300000000 ] - [ 0.0005247200000000, -0.0006733500000000, -0.0012616500000000 ] - [ -0.0000764400000000, -0.0002415700000000, 0.0001431800000000 ] - [ -0.0000240100000000, -0.0000415600000000, -0.0000720000000000 ] - [ 0.0001322400000000, 0.0001918400000000, -0.0001937400000000 ] - [ -0.0040456300000000, 0.0009210000000000, 0.0030264700000000 ] - [ -0.0004115000000000, -0.0000564500000000, -0.0006681300000000 ] - [ -0.0000703800000000, -0.0002931900000000, -0.0003729400000000 ] - [ -0.0012488600000000, 0.0001321300000000, 0.0018423100000000 ] - [ -0.0006024000000000, 0.0004958900000000, 0.0001675000000000 ] - [ 0.0060517800000000, -0.0018627500000000, -0.0176311100000000 ] - [ 0.0003303800000000, 0.0005195700000000, -0.0003291000000000 ] - [ 0.0000789800000000, 0.0004593400000000, -0.0000781000000000 ] - [ 0.0006186300000000, 0.0000654600000000, -0.0000109000000000 ] - [ -0.0000954000000000, -0.0003785600000000, 0.0005933200000000 ] - [ -0.0017539100000000, -0.0014563500000000, 0.0008238600000000 ] - [ 0.0001795400000000, -0.0004037500000000, -0.0002771000000000 ] - [ -0.0018261700000000, 0.0004324800000000, 0.0031147300000000 ] - [ 0.0012150000000000, -0.0005901700000000, 0.0001378800000000 ] - [ -0.0002586400000000, 0.0001677100000000, 0.0003219000000000 ] - [ 0.0004212100000000, 0.0001774200000000, -0.0002028200000000 ] - [ -0.0001222700000000, -0.0000091600000000, -0.0000045300000000 ] - [ 0.0018736200000000, 0.0004696500000000, -0.0020630400000000 ] - [ 0.0001491200000000, -0.0001793900000000, -0.0001227600000000 ] - [ 0.0010636500000000, 0.0002100000000000, -0.0009363200000000 ] - [ 0.0019987400000000, -0.0012715600000000, 0.0003739100000000 ] - [ 0.0004343900000000, 0.0004968900000000, 0.0001060800000000 ] - [ 0.0001059700000000, -0.0002949400000000, -0.0002225300000000 ] - [ -0.0001289900000000, -0.0001834200000000, 0.0002149500000000 ] - [ -0.0002845800000000, 0.0000823900000000, -0.0000242000000000 ] - [ 0.0011497900000000, -0.0000319000000000, -0.0019743500000000 ] - [ 0.0001286300000000, 0.0008330500000000, 0.0002539600000000 ] - [ 0.0001194700000000, 0.0005810200000000, 0.0000044000000000 ] - [ 0.0001113600000000, 0.0000106700000000, -0.0002844700000000 ] - [ 0.0000165000000000, -0.0000917700000000, 0.0001878100000000 ] - [ -0.0006912200000000, -0.0004968300000000, -0.0001750900000000 ] - [ -0.0008507400000000, -0.0005301700000000, -0.0001399400000000 ] - [ -0.0000595400000000, 0.0001089400000000, 0.0003145300000000 ] - [ -0.0001015600000000, 0.0001472000000000, 0.0001346200000000 ] - [ 0.0001017900000000, 0.0000809100000000, -0.0001653300000000 ] - [ 0.0000391200000000, -0.0003685100000000, -0.0005104800000000 ] - [ 0.0013215100000000, 0.0002339000000000, -0.0021027400000000 ] - [ -0.0003292900000000, 0.0002349100000000, 0.0003188300000000 ] - [ 0.0000077500000000, 0.0000095600000000, 0.0005154000000000 ] - [ 0.0001516700000000, 0.0001394700000000, 0.0003627200000000 ] - [ 0.0021245100000000, -0.0002151300000000, -0.0029287900000000 ] - [ -0.0001235600000000, -0.0000442800000000, -0.0001594200000000 ] - [ 0.0003491800000000, 0.0003876500000000, 0.0005055200000000 ] - [ 0.0010785000000000, 0.0014887900000000, 0.0007715600000000 ] - [ 0.0000050800000000, 0.0000790100000000, -0.0004478400000000 ] - [ -0.0011257600000000, 0.0014997400000000, 0.0039712400000000 ] - [ 0.0005677200000000, 0.0005186800000000, -0.0005606700000000 ] - [ 0.0001835300000000, 0.0002386100000000, 0.0001911600000000 ] - [ -0.0005044100000000, -0.0001370900000000, 0.0003339700000000 ] - [ -0.0002193200000000, -0.0001071900000000, 0.0000116000000000 ] - [ 0.0004999000000000, 0.0002760900000000, -0.0010168200000000 ] - [ 0.0002914400000000, 0.0003749200000000, 0.0004146900000000 ] - [ 0.0005077000000000, 0.0009836100000000, 0.0006945100000000 ] - [ -0.0001609800000000, -0.0000835000000000, 0.0003161900000000 ] - [ -0.0005051400000000, -0.0000817900000000, 0.0006459300000000 ] - [ -0.0004463800000000, -0.0001548200000000, 0.0005626600000000 ] - [ 0.0005370400000000, -0.0001930700000000, -0.0006375500000000 ] - [ -0.0034889900000000, -0.0001742000000000, 0.0087299600000000 ] - [ 0.0004528800000000, -0.0000735600000000, -0.0000526200000000 ] - [ -0.0003750400000000, 0.0004814600000000, 0.0028109000000000 ] - [ -0.0001142300000000, -0.0002594800000000, 0.0006880400000000 ] - [ 0.0000712300000000, -0.0002161800000000, -0.0008053900000000 ] - [ -0.0004850600000000, -0.0001864400000000, 0.0005742400000000 ] - [ -0.0003088300000000, 0.0002445800000000, -0.0001348700000000 ]- atom: 5 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ -0.0004905400000000, -0.0001095100000000, -0.0000845100000000 ] - [ 0.0001484900000000, -0.0000182800000000, 0.0001875700000000 ] - [ -0.0009643200000000, -0.0010756300000000, -0.0005660700000000 ] - [ 0.0006322300000000, 0.0002589000000000, 0.0006646800000000 ] - [ -0.0407133900000000, -0.0007357000000000, -0.0027091500000000 ] - [ 0.0013571600000000, 0.0000313300000000, 0.0001756200000000 ] - [ -0.0000815000000000, 0.0004375100000000, 0.0002428000000000 ] - [ -0.0001293600000000, -0.0004454500000000, 0.0004351700000000 ] - [ 0.0009967000000000, -0.0013625800000000, -0.0022281800000000 ] - [ 0.0011841100000000, 0.0007836500000000, 0.0005224200000000 ] - [ -0.0001607300000000, 0.0010007900000000, 0.0004588400000000 ] - [ 0.0004305400000000, -0.0006910600000000, -0.0001543300000000 ] - [ 0.0009919400000000, 0.0000659700000000, 0.0011349600000000 ] - [ -0.0007982000000000, 0.0001162500000000, -0.0012064100000000 ] - [ -0.0006659100000000, -0.0026050500000000, 0.0013416400000000 ] - [ 0.0005706300000000, 0.0004383500000000, 0.0000804300000000 ] - [ 0.0001651700000000, -0.0000177500000000, 0.0003093800000000 ] - [ -0.0001862300000000, -0.0001215900000000, 0.0000142200000000 ] - [ 0.0010717000000000, -0.0005533900000000, 0.0001582500000000 ] - [ -0.0000259300000000, 0.0015927700000000, -0.0017063300000000 ] - [ 0.0022057300000000, 0.0006597600000000, -0.0015707000000000 ] - [ 0.0010606200000000, -0.0060917900000000, 0.0085329700000000 ] - [ 0.0002744400000000, 0.0058966600000000, -0.0065593100000000 ] - [ 0.0021072400000000, -0.0014145800000000, 0.0016484900000000 ] - [ -0.0007434500000000, -0.0003120400000000, -0.0002269500000000 ] - [ 0.0008185300000000, -0.0002122500000000, 0.0002952400000000 ] - [ 0.0003360000000000, -0.0002313200000000, -0.0000810100000000 ] - [ 0.0003535200000000, 0.0003920400000000, 0.0002876900000000 ] - [ -0.0042436700000000, -0.0029394900000000, -0.0019703900000000 ] - [ 0.0023149100000000, 0.0001894800000000, 0.0021641600000000 ] - [ 0.0127463200000000, 0.0021537900000000, 0.0022033500000000 ] - [ 0.0118325500000000, -0.0017380600000000, -0.0030553000000000 ] - [ 0.0024383300000000, 0.0008906700000000, 0.0009118700000000 ] - [ -0.0061873800000000, -0.0016519100000000, -0.0010666300000000 ] - [ -0.0024783800000000, 0.0009369200000000, -0.0004927500000000 ] - [ 0.0011702400000000, 0.0001676100000000, 0.0005894100000000 ] - [ 0.0003982400000000, -0.0003929200000000, -0.0005539200000000 ] - [ 0.0005903900000000, -0.0001130300000000, 0.0003956100000000 ] - [ -0.0002325700000000, -0.0000660700000000, -0.0002299300000000 ] - [ 0.0005976300000000, -0.0003165000000000, 0.0003177900000000 ] - [ 0.0041585700000000, -0.0026522600000000, 0.0015124900000000 ] - [ -0.0012387500000000, 0.0004216500000000, -0.0002260000000000 ] - [ -0.0003022900000000, 0.0002851100000000, 0.0003300500000000 ] - [ -0.0001457500000000, 0.0002068600000000, 0.0000905200000000 ] - [ -0.0021665700000000, -0.0019261600000000, -0.0019107400000000 ] - [ -0.0020885000000000, 0.0014079700000000, 0.0016157100000000 ] - [ -0.0030871000000000, -0.0005675900000000, 0.0013013900000000 ] - [ 0.0106912700000000, 0.0006876600000000, 0.0028088700000000 ] - [ 0.0006403500000000, 0.0005887600000000, 0.0022299100000000 ] - [ -0.0009187200000000, 0.0001364300000000, -0.0011573800000000 ] - [ -0.0000241100000000, -0.0001013000000000, 0.0001363800000000 ] - [ -0.0003213500000000, -0.0002880600000000, -0.0003075800000000 ] - [ -0.0002968800000000, 0.0000759900000000, -0.0000208600000000 ] - [ -0.0001079100000000, 0.0004765100000000, -0.0000726100000000 ] - [ 0.0002230300000000, 0.0010076600000000, 0.0001670800000000 ] - [ -0.0003652000000000, 0.0002818200000000, -0.0002167200000000 ] - [ 0.0003898300000000, -0.0002553500000000, 0.0003162700000000 ] - [ -0.0002864500000000, -0.0000521700000000, -0.0000529200000000 ] - [ -0.0013368200000000, -0.0003888300000000, -0.0003052300000000 ] - [ 0.0003948400000000, -0.0008957500000000, 0.0000748500000000 ] - [ -0.0001442500000000, 0.0006345100000000, 0.0004003900000000 ] - [ -0.0001187100000000, -0.0001254100000000, 0.0003427800000000 ] - [ -0.0039760300000000, 0.0007182800000000, -0.0017179500000000 ] - [ -0.0021591500000000, -0.0008979000000000, 0.0011108600000000 ] - [ 0.0001580700000000, -0.0001000200000000, 0.0003563900000000 ] - [ -0.0003600000000000, 0.0001860800000000, 0.0000882700000000 ] - [ 0.0012367600000000, 0.0005170500000000, 0.0011129300000000 ] - [ -0.0004122100000000, 0.0002515600000000, -0.0001808900000000 ] - [ 0.0032362600000000, 0.0005714900000000, 0.0002410600000000 ] - [ -0.0009467300000000, 0.0004131600000000, -0.0010369800000000 ] - [ -0.0015777400000000, -0.0008234800000000, 0.0014178600000000 ] - [ -0.0014941400000000, 0.0025410800000000, -0.0013912100000000 ] - [ -0.0007853500000000, 0.0000028500000000, -0.0005565700000000 ] - [ 0.0010271800000000, 0.0008003400000000, -0.0002151100000000 ] - [ 0.0036990100000000, 0.0014389400000000, 0.0007679700000000 ] - [ -0.0010052300000000, -0.0003478500000000, -0.0007167200000000 ] - [ 0.0002521200000000, -0.0004215700000000, 0.0000903200000000 ] - [ -0.0007826500000000, 0.0001773900000000, -0.0001027700000000 ] - [ 0.0007774500000000, 0.0004928700000000, 0.0009639200000000 ] - [ -0.0010405900000000, 0.0000991600000000, -0.0028804200000000 ] - [ 0.0001274200000000, -0.0000267700000000, 0.0003776200000000 ] - [ -0.0004543700000000, -0.0000861300000000, 0.0001271600000000 ] - [ 0.0025594800000000, -0.0005875000000000, 0.0009844300000000 ] - [ -0.0011267900000000, -0.0002235700000000, 0.0001016500000000 ] - [ -0.0001215800000000, -0.0003523100000000, -0.0010931000000000 ] - [ 0.0014556300000000, 0.0006461600000000, -0.0003030900000000 ] - [ -0.0014408400000000, -0.0009597300000000, -0.0000245700000000 ] - [ 0.0046846300000000, 0.0017650400000000, 0.0001180800000000 ] - [ 0.0095323600000000, 0.0013364700000000, -0.0023493700000000 ] - [ -0.0029408200000000, 0.0009846600000000, -0.0013871600000000 ] - [ 0.0001146800000000, 0.0000282400000000, 0.0004774200000000 ] - [ -0.0004771500000000, 0.0001014100000000, -0.0000473300000000 ]- atom: 5 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ 0.0001971700000000, 0.0000509500000000, 0.0002074100000000 ] - [ -0.0004409900000000, -0.0000385500000000, -0.0000647100000000 ] - [ 0.0006375000000000, 0.0009971100000000, 0.0011896900000000 ] - [ -0.0009504100000000, -0.0003384900000000, -0.0000382600000000 ] - [ 0.0406425300000000, 0.0010449300000000, 0.0017850100000000 ] - [ -0.0013468500000000, -0.0000989000000000, -0.0004720300000000 ] - [ -0.0002970900000000, -0.0003916500000000, 0.0004146900000000 ] - [ -0.0002540600000000, 0.0004900000000000, 0.0002200800000000 ] - [ -0.0006203500000000, 0.0014160300000000, 0.0015906800000000 ] - [ -0.0008020600000000, -0.0007351700000000, -0.0011764500000000 ] - [ 0.0001677100000000, -0.0011372400000000, -0.0006048800000000 ] - [ -0.0004311800000000, 0.0005538200000000, 0.0000079100000000 ] - [ -0.0006977500000000, -0.0001221700000000, -0.0012658200000000 ] - [ 0.0010867100000000, -0.0001683700000000, 0.0010660000000000 ] - [ 0.0006874400000000, 0.0024749300000000, -0.0011957400000000 ] - [ -0.0005693300000000, -0.0005691100000000, 0.0000647200000000 ] - [ -0.0001719700000000, -0.0000518700000000, -0.0000107800000000 ] - [ 0.0001751200000000, 0.0000520900000000, 0.0002803600000000 ] - [ -0.0007573700000000, 0.0004834100000000, -0.0007865500000000 ] - [ 0.0003342100000000, -0.0016601100000000, 0.0010695400000000 ] - [ -0.0022836800000000, -0.0010931400000000, 0.0014962700000000 ] - [ -0.0011554800000000, 0.0056283100000000, -0.0085787200000000 ] - [ -0.0006477300000000, -0.0059013000000000, 0.0064017400000000 ] - [ -0.0024631700000000, 0.0014183700000000, -0.0018310300000000 ] - [ 0.0008363600000000, -0.0001209000000000, 0.0003188700000000 ] - [ -0.0007345000000000, -0.0002184200000000, -0.0002061200000000 ] - [ 0.0000262600000000, 0.0002400600000000, 0.0002655300000000 ] - [ -0.0000035900000000, -0.0003896800000000, -0.0001067700000000 ] - [ 0.0034329600000000, 0.0026261600000000, 0.0021273400000000 ] - [ -0.0031308400000000, -0.0005247600000000, -0.0021114400000000 ] - [ -0.0131424800000000, -0.0025490800000000, -0.0022465800000000 ] - [ -0.0120244800000000, 0.0013906300000000, 0.0030118300000000 ] - [ -0.0027618000000000, 0.0000980400000000, -0.0007236800000000 ] - [ 0.0058684500000000, 0.0026690600000000, 0.0012367000000000 ] - [ 0.0027869700000000, 0.0000205100000000, 0.0002715800000000 ] - [ -0.0008347100000000, 0.0008277700000000, -0.0007738900000000 ] - [ 0.0004209400000000, 0.0000584200000000, 0.0005019900000000 ] - [ 0.0002182900000000, -0.0002226200000000, -0.0004526300000000 ] - [ 0.0005182600000000, -0.0002748000000000, 0.0003280000000000 ] - [ -0.0003184800000000, -0.0000231400000000, -0.0002279800000000 ] - [ -0.0026347800000000, 0.0016172500000000, -0.0011413700000000 ] - [ 0.0027676300000000, -0.0014583100000000, 0.0006004200000000 ] - [ -0.0000534800000000, 0.0002119100000000, 0.0000469400000000 ] - [ -0.0002049800000000, 0.0002912200000000, 0.0002875000000000 ] - [ 0.0021329300000000, 0.0016299700000000, 0.0016380200000000 ] - [ 0.0020295900000000, -0.0017058600000000, -0.0018808400000000 ] - [ 0.0033965100000000, 0.0004389000000000, -0.0017835500000000 ] - [ -0.0095745200000000, -0.0008847900000000, -0.0030121200000000 ] - [ -0.0002776600000000, -0.0000983400000000, -0.0026344400000000 ] - [ 0.0012717700000000, 0.0003613400000000, 0.0007790000000000 ] - [ -0.0002410500000000, -0.0002830100000000, -0.0002794300000000 ] - [ 0.0000641300000000, -0.0000934800000000, 0.0001705200000000 ] - [ -0.0000239400000000, 0.0003626100000000, -0.0000688800000000 ] - [ -0.0002086800000000, -0.0000384900000000, -0.0000151500000000 ] - [ -0.0002097900000000, 0.0001657900000000, -0.0002736500000000 ] - [ 0.0003865000000000, 0.0008927800000000, 0.0001119500000000 ] - [ -0.0003495200000000, -0.0000465200000000, -0.0000494600000000 ] - [ 0.0003279800000000, -0.0002562000000000, 0.0003249100000000 ] - [ -0.0002017900000000, -0.0006528700000000, -0.0000724900000000 ] - [ -0.0019109300000000, -0.0001385800000000, -0.0004458600000000 ] - [ 0.0000138000000000, -0.0003176400000000, 0.0003004800000000 ] - [ -0.0000080400000000, 0.0004444100000000, 0.0003616100000000 ] - [ 0.0042161300000000, -0.0006168300000000, 0.0012862700000000 ] - [ 0.0023478900000000, 0.0009989900000000, -0.0015472400000000 ] - [ -0.0003653400000000, 0.0002037000000000, 0.0000822700000000 ] - [ 0.0001547600000000, -0.0000800800000000, 0.0003523400000000 ] - [ -0.0010094500000000, -0.0002881200000000, -0.0003278100000000 ] - [ 0.0006384100000000, -0.0000298600000000, 0.0009533500000000 ] - [ -0.0031091500000000, -0.0002532500000000, -0.0009494700000000 ] - [ 0.0010745400000000, -0.0000923800000000, 0.0003330800000000 ] - [ 0.0015514100000000, 0.0019935800000000, -0.0013159500000000 ] - [ 0.0014788900000000, -0.0013614600000000, 0.0014895300000000 ] - [ 0.0005547600000000, 0.0002229900000000, -0.0002159900000000 ] - [ -0.0012529400000000, -0.0005821100000000, -0.0005568500000000 ] - [ -0.0033775200000000, -0.0010017300000000, -0.0006964600000000 ] - [ 0.0013249800000000, 0.0007842500000000, 0.0008056500000000 ] - [ -0.0007286000000000, 0.0001738600000000, -0.0000119200000000 ] - [ 0.0003085500000000, -0.0004407600000000, 0.0001739400000000 ] - [ -0.0004663000000000, -0.0003950900000000, -0.0014251600000000 ] - [ 0.0013733100000000, 0.0000012800000000, 0.0024379500000000 ] - [ -0.0004396000000000, -0.0001114100000000, 0.0000855800000000 ] - [ 0.0001428200000000, -0.0000546300000000, 0.0003369500000000 ] - [ -0.0034565700000000, 0.0002024300000000, 0.0001346600000000 ] - [ 0.0002180300000000, -0.0001023900000000, 0.0010228700000000 ] - [ 0.0010243700000000, 0.0000306300000000, -0.0000379000000000 ] - [ -0.0005502800000000, -0.0009727700000000, -0.0008179100000000 ] - [ 0.0019101000000000, 0.0006984600000000, -0.0000500700000000 ] - [ -0.0042009100000000, -0.0020268600000000, -0.0001871400000000 ] - [ -0.0099708900000000, -0.0019521400000000, 0.0027346400000000 ] - [ 0.0032134000000000, -0.0013702300000000, 0.0015157800000000 ] - [ -0.0004455700000000, 0.0000713700000000, -0.0000403900000000 ] - [ 0.0001525800000000, -0.0000026700000000, 0.0004894600000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000257500000000, 0.0015507700000000, 0.0000355200000000 ] - [ -0.0001443900000000, 0.0002074700000000, 0.0000749300000000 ] - [ -0.0012472100000000, 0.0019377800000000, 0.0012141400000000 ] - [ -0.0000653700000000, 0.0002604000000000, 0.0003474800000000 ] - [ -0.0008381700000000, -0.0342916600000000, -0.0007619100000000 ] - [ 0.0000701600000000, -0.0003168000000000, -0.0001195200000000 ] - [ 0.0000582300000000, 0.0007420700000000, 0.0003932600000000 ] - [ -0.0007006200000000, 0.0007643000000000, 0.0002280300000000 ] - [ -0.0014211800000000, -0.0009115800000000, 0.0001543800000000 ] - [ 0.0005801300000000, -0.0005665500000000, -0.0001969100000000 ] - [ 0.0010124500000000, 0.0012559400000000, 0.0006258900000000 ] - [ -0.0003258900000000, 0.0002627500000000, -0.0003599600000000 ] - [ 0.0002661000000000, -0.0005187000000000, -0.0001050800000000 ] - [ 0.0003098700000000, -0.0019186000000000, -0.0001409600000000 ] - [ -0.0023886300000000, 0.0025994700000000, -0.0028671600000000 ] - [ 0.0002993100000000, -0.0002524700000000, 0.0003375000000000 ] - [ -0.0000213700000000, 0.0003032800000000, 0.0001004900000000 ] - [ 0.0000822500000000, 0.0010032600000000, 0.0002325900000000 ] - [ -0.0000372200000000, -0.0002029000000000, -0.0003688600000000 ] - [ 0.0016051800000000, 0.0010075200000000, -0.0014595300000000 ] - [ 0.0008435300000000, -0.0006723200000000, 0.0002765400000000 ] - [ -0.0065039000000000, -0.0033829400000000, -0.0020043200000000 ] - [ 0.0029656400000000, -0.0005491000000000, -0.0016783900000000 ] - [ -0.0011294000000000, -0.0003809900000000, -0.0001338300000000 ] - [ -0.0019842100000000, 0.0018205900000000, 0.0000749000000000 ] - [ 0.0004418500000000, 0.0003237400000000, 0.0001118400000000 ] - [ -0.0009125200000000, 0.0003444900000000, -0.0000281000000000 ] - [ 0.0022489400000000, 0.0025585900000000, 0.0000275600000000 ] - [ -0.0022688300000000, -0.0132497300000000, 0.0057428400000000 ] - [ -0.0008502400000000, -0.0009602900000000, -0.0005775600000000 ] - [ 0.0022305300000000, -0.0051591600000000, 0.0026602300000000 ] - [ -0.0014683100000000, -0.0040958100000000, -0.0001073400000000 ] - [ -0.0001545400000000, 0.0009853900000000, 0.0003129300000000 ] - [ 0.0003814500000000, 0.0077720600000000, -0.0042820000000000 ] - [ 0.0021855700000000, 0.0097050100000000, 0.0106629800000000 ] - [ -0.0002189300000000, 0.0000813100000000, -0.0002475200000000 ] - [ -0.0002336000000000, 0.0012578800000000, -0.0002925600000000 ] - [ 0.0009143300000000, 0.0017928900000000, -0.0004906400000000 ] - [ -0.0005078600000000, 0.0025056100000000, 0.0000006400000000 ] - [ 0.0005481100000000, 0.0007416500000000, 0.0006464400000000 ] - [ -0.0006633500000000, -0.0012326400000000, 0.0014067600000000 ] - [ 0.0010549900000000, -0.0006945800000000, 0.0001633200000000 ] - [ 0.0001065200000000, -0.0001164700000000, 0.0004037700000000 ] - [ -0.0008374200000000, -0.0009374000000000, 0.0006912800000000 ] - [ -0.0008948200000000, 0.0008382600000000, -0.0004690700000000 ] - [ 0.0013809900000000, 0.0011650300000000, 0.0002543500000000 ] - [ -0.0006882500000000, 0.0008394500000000, -0.0008326000000000 ] - [ 0.0003835800000000, 0.0025285000000000, -0.0008855400000000 ] - [ 0.0004180400000000, 0.0028318700000000, 0.0000518400000000 ] - [ 0.0003836500000000, 0.0005595500000000, 0.0000679500000000 ] - [ 0.0002332500000000, -0.0008577100000000, -0.0001541700000000 ] - [ -0.0005652800000000, -0.0012946000000000, -0.0006994700000000 ] - [ -0.0000759800000000, -0.0007107900000000, 0.0001167900000000 ] - [ 0.0000552400000000, -0.0010361700000000, 0.0002371200000000 ] - [ 0.0011473700000000, -0.0001390000000000, -0.0001230300000000 ] - [ -0.0009412700000000, 0.0001274300000000, -0.0000930000000000 ] - [ 0.0002216600000000, -0.0018473300000000, 0.0009266800000000 ] - [ -0.0000602700000000, -0.0004009100000000, 0.0000516800000000 ] - [ -0.0002639400000000, -0.0003340000000000, -0.0000828000000000 ] - [ -0.0042095800000000, -0.0027114000000000, -0.0020168300000000 ] - [ 0.0004177500000000, -0.0005031700000000, 0.0003753800000000 ] - [ -0.0003277000000000, -0.0006265700000000, 0.0000905600000000 ] - [ 0.0017490400000000, 0.0025737300000000, -0.0006499600000000 ] - [ -0.0003615300000000, 0.0019024800000000, -0.0007814400000000 ] - [ 0.0000609900000000, -0.0016981400000000, -0.0002339600000000 ] - [ -0.0000373100000000, -0.0005520900000000, 0.0000300400000000 ] - [ 0.0005446900000000, -0.0000446900000000, -0.0035250500000000 ] - [ 0.0002143000000000, 0.0004139200000000, 0.0003897200000000 ] - [ 0.0005446700000000, 0.0062187100000000, -0.0016630500000000 ] - [ 0.0002132300000000, 0.0003645200000000, -0.0002988700000000 ] - [ -0.0010867600000000, 0.0008542400000000, -0.0000774900000000 ] - [ 0.0017007000000000, 0.0010844500000000, 0.0000322900000000 ] - [ -0.0000899700000000, -0.0002431600000000, -0.0005649300000000 ] - [ 0.0003084200000000, -0.0024106800000000, 0.0000218400000000 ] - [ 0.0011040900000000, 0.0074108900000000, 0.0001237200000000 ] - [ 0.0002988300000000, 0.0008815200000000, 0.0002725800000000 ] - [ 0.0012120700000000, -0.0038693400000000, -0.0015013300000000 ] - [ -0.0002927000000000, -0.0001372900000000, 0.0000592600000000 ] - [ -0.0000976100000000, 0.0022351400000000, -0.0009258500000000 ] - [ 0.0010148800000000, 0.0012396800000000, 0.0006563800000000 ] - [ 0.0002269100000000, -0.0013001200000000, -0.0001228100000000 ] - [ -0.0003224500000000, -0.0004395600000000, 0.0000899300000000 ] - [ -0.0009763600000000, 0.0140080200000000, 0.0014002000000000 ] - [ -0.0004268500000000, 0.0000877600000000, 0.0006697200000000 ] - [ 0.0003166300000000, -0.0004940100000000, -0.0006722700000000 ] - [ 0.0005409400000000, -0.0017923800000000, 0.0010331800000000 ] - [ -0.0000217200000000, -0.0002129400000000, -0.0000650100000000 ] - [ 0.0013081400000000, 0.0015893400000000, -0.0001101600000000 ] - [ 0.0021942500000000, 0.0033845500000000, -0.0019912900000000 ] - [ 0.0003818000000000, 0.0004315800000000, -0.0000583400000000 ] - [ 0.0003311900000000, -0.0008636900000000, 0.0006838200000000 ] - [ -0.0004232100000000, -0.0004244400000000, 0.0002592200000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002682400000000, -0.0016090900000000, 0.0000879300000000 ] - [ -0.0001471100000000, -0.0002633000000000, 0.0000492200000000 ] - [ 0.0009397200000000, -0.0020229200000000, -0.0006024000000000 ] - [ -0.0002508900000000, -0.0003336500000000, 0.0002792200000000 ] - [ 0.0009395400000000, 0.0331618700000000, 0.0002667900000000 ] - [ -0.0000597900000000, 0.0002501200000000, -0.0001779600000000 ] - [ -0.0004410200000000, -0.0006930300000000, 0.0002626400000000 ] - [ 0.0003229600000000, -0.0007159200000000, 0.0004290000000000 ] - [ 0.0017974600000000, 0.0009506900000000, -0.0008068200000000 ] - [ -0.0001986900000000, 0.0006100000000000, -0.0004593200000000 ] - [ -0.0010189300000000, -0.0013892600000000, -0.0007788700000000 ] - [ 0.0003261000000000, -0.0003923300000000, 0.0002172300000000 ] - [ 0.0000280700000000, 0.0004640900000000, -0.0000168400000000 ] - [ -0.0000202300000000, 0.0018637800000000, 0.0000115100000000 ] - [ 0.0023646100000000, -0.0027120600000000, 0.0029858800000000 ] - [ -0.0002971000000000, 0.0001175900000000, -0.0001890400000000 ] - [ 0.0000118900000000, -0.0003703900000000, 0.0001965800000000 ] - [ -0.0000919300000000, -0.0010707200000000, 0.0000648800000000 ] - [ 0.0003551600000000, 0.0001256900000000, -0.0002569300000000 ] - [ -0.0012763300000000, -0.0010794800000000, 0.0008202600000000 ] - [ -0.0009225900000000, 0.0002479800000000, -0.0003664100000000 ] - [ 0.0064187900000000, 0.0029895900000000, 0.0019008300000000 ] - [ -0.0033478100000000, 0.0005989200000000, 0.0014955500000000 ] - [ 0.0007714200000000, 0.0003933400000000, -0.0000509900000000 ] - [ 0.0020713900000000, -0.0022512000000000, 0.0000164200000000 ] - [ -0.0003533200000000, -0.0007547100000000, -0.0000202800000000 ] - [ 0.0012670800000000, -0.0003409100000000, 0.0002088400000000 ] - [ -0.0018850200000000, -0.0025480000000000, 0.0001548000000000 ] - [ 0.0014537700000000, 0.0129456500000000, -0.0056183800000000 ] - [ 0.0000334500000000, 0.0006272900000000, 0.0006315200000000 ] - [ -0.0024707000000000, 0.0048259900000000, -0.0027325900000000 ] - [ 0.0011471400000000, 0.0037692200000000, 0.0000355900000000 ] - [ -0.0001722100000000, 0.0000126800000000, -0.0001261900000000 ] - [ -0.0006909000000000, -0.0067822400000000, 0.0045396100000000 ] - [ -0.0018641900000000, -0.0086350600000000, -0.0108418500000000 ] - [ 0.0005484800000000, 0.0009044600000000, 0.0000612500000000 ] - [ 0.0010439600000000, -0.0015909600000000, 0.0002352200000000 ] - [ -0.0000960500000000, -0.0021271800000000, 0.0004334800000000 ] - [ 0.0007878800000000, -0.0028419000000000, 0.0000877200000000 ] - [ -0.0002625100000000, -0.0010786200000000, -0.0005502900000000 ] - [ 0.0022129600000000, 0.0001878800000000, -0.0010492900000000 ] - [ 0.0004785900000000, -0.0003456800000000, 0.0002117700000000 ] - [ -0.0004587300000000, 0.0006164100000000, -0.0000252700000000 ] - [ 0.0004806900000000, 0.0014359400000000, -0.0003126700000000 ] - [ 0.0008501000000000, -0.0011510300000000, 0.0001905400000000 ] - [ -0.0014223400000000, -0.0014839000000000, -0.0005321000000000 ] - [ 0.0009893200000000, -0.0009785300000000, 0.0003687200000000 ] - [ -0.0001242300000000, -0.0026632700000000, 0.0004044600000000 ] - [ -0.0000604300000000, -0.0023398000000000, -0.0004295500000000 ] - [ -0.0000305900000000, -0.0000609600000000, -0.0004464000000000 ] - [ -0.0004926700000000, 0.0004766800000000, 0.0000176400000000 ] - [ 0.0003033700000000, 0.0009113500000000, 0.0005581600000000 ] - [ -0.0002421600000000, 0.0011472500000000, -0.0002036300000000 ] - [ -0.0003761800000000, 0.0014739700000000, -0.0003239700000000 ] - [ -0.0011254200000000, 0.0013136100000000, 0.0000188400000000 ] - [ 0.0009561700000000, 0.0010486700000000, -0.0000116000000000 ] - [ -0.0001800300000000, 0.0015391600000000, -0.0006528300000000 ] - [ 0.0001007500000000, 0.0000957500000000, 0.0002187500000000 ] - [ -0.0012682400000000, -0.0007006800000000, -0.0002924500000000 ] - [ 0.0026685500000000, 0.0016650700000000, 0.0016343900000000 ] - [ -0.0005433800000000, 0.0008232500000000, 0.0003274900000000 ] - [ 0.0001979900000000, 0.0009478900000000, 0.0006120500000000 ] - [ -0.0015492600000000, -0.0024566700000000, 0.0002066400000000 ] - [ 0.0005711400000000, -0.0017925800000000, 0.0003367800000000 ] - [ -0.0002653700000000, 0.0018012300000000, 0.0006767300000000 ] - [ -0.0001692500000000, 0.0006552700000000, 0.0004089400000000 ] - [ -0.0003113700000000, 0.0002757100000000, 0.0042723300000000 ] - [ 0.0000133500000000, -0.0001856800000000, 0.0003795100000000 ] - [ -0.0004365400000000, -0.0060405700000000, 0.0007701700000000 ] - [ -0.0000849200000000, -0.0000456200000000, -0.0004035600000000 ] - [ 0.0010666300000000, 0.0003091100000000, 0.0001835200000000 ] - [ -0.0017183100000000, 0.0000808700000000, 0.0000730000000000 ] - [ -0.0001386100000000, 0.0004670000000000, -0.0002070700000000 ] - [ -0.0005381900000000, 0.0026437200000000, -0.0008126700000000 ] - [ -0.0007783300000000, -0.0069601600000000, -0.0000821900000000 ] - [ 0.0000198300000000, -0.0004435600000000, -0.0001856900000000 ] - [ -0.0016884400000000, 0.0036195600000000, 0.0015870700000000 ] - [ -0.0001821700000000, -0.0001208500000000, 0.0000126200000000 ] - [ 0.0004212200000000, -0.0021391600000000, 0.0004833400000000 ] - [ -0.0006855400000000, -0.0011433600000000, -0.0010917600000000 ] - [ -0.0005385400000000, 0.0011630900000000, 0.0005902100000000 ] - [ 0.0000086700000000, 0.0002987500000000, 0.0003746800000000 ] - [ 0.0000465400000000, -0.0133146500000000, -0.0000016100000000 ] - [ -0.0004806000000000, -0.0004078200000000, 0.0004583600000000 ] - [ 0.0005890900000000, 0.0001694200000000, -0.0004563400000000 ] - [ 0.0003615900000000, 0.0014602900000000, -0.0021656400000000 ] - [ 0.0004896700000000, -0.0000525000000000, -0.0000068500000000 ] - [ -0.0007957300000000, -0.0019783000000000, 0.0001689300000000 ] - [ -0.0019608900000000, -0.0037482900000000, 0.0021356700000000 ] - [ -0.0001114800000000, -0.0008176300000000, 0.0001979600000000 ] - [ -0.0006555100000000, 0.0009642900000000, -0.0002427800000000 ] - [ 0.0000938800000000, 0.0005240900000000, 0.0001798000000000 ]- atom: 5 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ -0.0001373400000000, 0.0000231500000000, -0.0002535500000000 ] - [ -0.0001456200000000, -0.0000223700000000, 0.0001075100000000 ] - [ -0.0008615400000000, 0.0015739800000000, 0.0003123700000000 ] - [ -0.0002027200000000, -0.0001141100000000, 0.0002999300000000 ] - [ 0.0154311300000000, 0.0000248300000000, -0.0315907000000000 ] - [ -0.0002748700000000, -0.0000341900000000, -0.0000883000000000 ] - [ -0.0004022600000000, -0.0000427300000000, 0.0004666500000000 ] - [ 0.0000339600000000, 0.0000075100000000, 0.0002316600000000 ] - [ -0.0018756800000000, 0.0006582300000000, 0.0019389400000000 ] - [ 0.0003293500000000, -0.0001015200000000, -0.0006029200000000 ] - [ 0.0008301200000000, 0.0004780800000000, -0.0005138800000000 ] - [ -0.0001574400000000, 0.0001704500000000, 0.0002493700000000 ] - [ 0.0007831300000000, -0.0000403100000000, -0.0002189100000000 ] - [ -0.0006705100000000, -0.0001848500000000, 0.0032840900000000 ] - [ 0.0014534800000000, -0.0016602500000000, -0.0007754300000000 ] - [ -0.0001372400000000, -0.0002333700000000, 0.0003097700000000 ] - [ 0.0000686600000000, 0.0000011600000000, 0.0001311400000000 ] - [ -0.0000484000000000, -0.0000736100000000, 0.0003403800000000 ] - [ 0.0001282800000000, 0.0000392600000000, -0.0003779600000000 ] - [ -0.0012355700000000, -0.0021753200000000, 0.0004000800000000 ] - [ -0.0005077700000000, 0.0008033500000000, 0.0031496200000000 ] - [ 0.0063777100000000, 0.0011164000000000, -0.0016723800000000 ] - [ -0.0035748100000000, -0.0023159700000000, 0.0060523500000000 ] - [ 0.0002244800000000, 0.0004817200000000, -0.0007732500000000 ] - [ -0.0007088000000000, 0.0001485100000000, 0.0001551600000000 ] - [ 0.0002371800000000, -0.0002077100000000, 0.0000087300000000 ] - [ -0.0002470700000000, -0.0000906700000000, 0.0003503100000000 ] - [ 0.0008730600000000, 0.0005316900000000, -0.0001109900000000 ] - [ -0.0000802600000000, 0.0071976600000000, 0.0228725700000000 ] - [ 0.0002769900000000, -0.0003903800000000, 0.0006440300000000 ] - [ -0.0063359300000000, 0.0007768100000000, -0.0050784500000000 ] - [ -0.0044073500000000, -0.0000090900000000, -0.0028291500000000 ] - [ -0.0001069200000000, 0.0008050300000000, 0.0002932400000000 ] - [ -0.0009079500000000, -0.0057916300000000, 0.0010505000000000 ] - [ 0.0016528600000000, 0.0060806000000000, 0.0007483100000000 ] - [ 0.0003994700000000, 0.0003108400000000, 0.0000452400000000 ] - [ 0.0001459500000000, -0.0001873900000000, -0.0002486600000000 ] - [ 0.0006145300000000, -0.0001764000000000, -0.0003757700000000 ] - [ -0.0002158100000000, -0.0001605800000000, 0.0009382000000000 ] - [ 0.0004403100000000, -0.0001585600000000, 0.0002060900000000 ] - [ 0.0014976300000000, 0.0005588400000000, -0.0007345400000000 ] - [ 0.0005982700000000, -0.0006004000000000, 0.0002618900000000 ] - [ -0.0000499200000000, 0.0002813700000000, 0.0001278800000000 ] - [ -0.0004067200000000, 0.0001254400000000, 0.0004692400000000 ] - [ 0.0006560200000000, 0.0004500700000000, 0.0014872600000000 ] - [ 0.0017616500000000, -0.0004314700000000, 0.0002273200000000 ] - [ 0.0021683900000000, -0.0001632600000000, -0.0012091500000000 ] - [ -0.0021602700000000, -0.0008678000000000, 0.0024222600000000 ] - [ 0.0030550600000000, -0.0017073100000000, -0.0062277800000000 ] - [ -0.0001591500000000, 0.0003121800000000, 0.0000670700000000 ] - [ -0.0000382700000000, -0.0002715300000000, -0.0003271200000000 ] - [ -0.0003676700000000, -0.0003205300000000, -0.0002168800000000 ] - [ -0.0001415200000000, 0.0002079600000000, 0.0000536700000000 ] - [ -0.0001577600000000, 0.0000941300000000, 0.0000156300000000 ] - [ 0.0005343200000000, 0.0004979600000000, -0.0002585300000000 ] - [ -0.0003238600000000, 0.0005688100000000, 0.0000127100000000 ] - [ 0.0000916900000000, 0.0002431900000000, 0.0000540400000000 ] - [ -0.0000286800000000, -0.0001242000000000, 0.0000648600000000 ] - [ -0.0007904200000000, -0.0003463200000000, -0.0003919900000000 ] - [ -0.0018375800000000, -0.0011026100000000, -0.0002368300000000 ] - [ -0.0000989700000000, 0.0001809200000000, 0.0004879300000000 ] - [ -0.0000108600000000, 0.0003156700000000, 0.0003326200000000 ] - [ 0.0003825300000000, -0.0006478700000000, 0.0016117900000000 ] - [ 0.0013310300000000, 0.0001929500000000, 0.0000167900000000 ] - [ -0.0000659100000000, -0.0003348800000000, 0.0000630100000000 ] - [ -0.0001713300000000, 0.0000364100000000, 0.0001372200000000 ] - [ 0.0004017900000000, -0.0021693500000000, -0.0012311000000000 ] - [ -0.0000201400000000, 0.0002132200000000, 0.0003801600000000 ] - [ -0.0010175800000000, -0.0008168600000000, 0.0004010800000000 ] - [ 0.0001421800000000, 0.0002332900000000, -0.0005973600000000 ] - [ 0.0015780200000000, 0.0006549500000000, -0.0015443400000000 ] - [ -0.0013858500000000, 0.0002047300000000, 0.0006521800000000 ] - [ -0.0000402100000000, 0.0000058700000000, -0.0005170500000000 ] - [ -0.0004087800000000, 0.0013527700000000, 0.0007155500000000 ] - [ -0.0007855900000000, -0.0008366300000000, 0.0005324100000000 ] - [ 0.0000853100000000, 0.0001610300000000, -0.0001412900000000 ] - [ 0.0002253000000000, -0.0009605400000000, 0.0001431000000000 ] - [ -0.0003897900000000, -0.0000211300000000, 0.0000281500000000 ] - [ -0.0017546000000000, -0.0011930200000000, -0.0045848400000000 ] - [ -0.0010110500000000, -0.0001530200000000, -0.0005065400000000 ] - [ 0.0002349000000000, -0.0001592500000000, -0.0002162200000000 ] - [ -0.0002907900000000, -0.0000760600000000, 0.0002713600000000 ] - [ -0.0015941900000000, 0.0016594700000000, 0.0029601500000000 ] - [ -0.0003809300000000, -0.0001271400000000, 0.0005276600000000 ] - [ 0.0002820200000000, -0.0002480400000000, -0.0006836400000000 ] - [ 0.0006293500000000, 0.0009412100000000, -0.0017118600000000 ] - [ 0.0000253800000000, -0.0004953100000000, -0.0004906100000000 ] - [ -0.0008673100000000, 0.0003859900000000, 0.0023570800000000 ] - [ -0.0062827900000000, -0.0022696900000000, 0.0041787200000000 ] - [ 0.0004401900000000, -0.0005460100000000, 0.0010306300000000 ] - [ 0.0001048200000000, 0.0000369000000000, 0.0003918200000000 ] - [ -0.0002461700000000, 0.0000166600000000, 0.0002685400000000 ]- atom: 5 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ -0.0001554700000000, -0.0000815700000000, 0.0003773600000000 ] - [ -0.0001464900000000, -0.0000350200000000, 0.0000157200000000 ] - [ 0.0005438900000000, -0.0016570100000000, 0.0003179900000000 ] - [ -0.0001132700000000, 0.0000372800000000, 0.0003264700000000 ] - [ -0.0150596500000000, 0.0001996900000000, 0.0319622800000000 ] - [ 0.0002859900000000, -0.0000329500000000, -0.0002102400000000 ] - [ 0.0000215500000000, 0.0000879800000000, 0.0001885300000000 ] - [ -0.0004159000000000, 0.0000384900000000, 0.0004235200000000 ] - [ 0.0022369400000000, -0.0005999200000000, -0.0025926400000000 ] - [ 0.0000501400000000, 0.0001462000000000, -0.0000540300000000 ] - [ -0.0008289100000000, -0.0006106000000000, 0.0003765300000000 ] - [ 0.0001592600000000, -0.0003056200000000, -0.0003899800000000 ] - [ -0.0004913300000000, -0.0000134100000000, 0.0000979700000000 ] - [ 0.0009777700000000, 0.0001250700000000, -0.0033868900000000 ] - [ -0.0014532800000000, 0.0015190700000000, 0.0009343800000000 ] - [ 0.0001405600000000, 0.0001003600000000, -0.0001653900000000 ] - [ -0.0000773500000000, -0.0000713200000000, 0.0001659400000000 ] - [ 0.0000396700000000, 0.0000043800000000, -0.0000443400000000 ] - [ 0.0001900200000000, -0.0001157000000000, -0.0002490000000000 ] - [ 0.0015566300000000, 0.0021153800000000, -0.0010235800000000 ] - [ 0.0004231100000000, -0.0012367300000000, -0.0032510600000000 ] - [ -0.0064668100000000, -0.0015356300000000, 0.0015386300000000 ] - [ 0.0031809300000000, 0.0023009100000000, -0.0062566000000000 ] - [ -0.0005881200000000, -0.0004747100000000, 0.0005894500000000 ] - [ 0.0007963400000000, -0.0005792200000000, -0.0000668100000000 ] - [ -0.0001531600000000, -0.0002249300000000, 0.0000817600000000 ] - [ 0.0006046100000000, 0.0000976000000000, -0.0001697000000000 ] - [ -0.0005171200000000, -0.0005287600000000, 0.0002929300000000 ] - [ -0.0008000200000000, -0.0076026400000000, -0.0230719600000000 ] - [ -0.0010895600000000, 0.0000564900000000, -0.0005889000000000 ] - [ 0.0060747000000000, -0.0011098600000000, 0.0049789200000000 ] - [ 0.0041114800000000, -0.0003244300000000, 0.0028030800000000 ] - [ -0.0002229200000000, 0.0001840200000000, -0.0001058000000000 ] - [ 0.0006018500000000, 0.0067844000000000, -0.0008675200000000 ] - [ -0.0012991900000000, -0.0050602300000000, -0.0010178000000000 ] - [ -0.0000710000000000, 0.0006791700000000, -0.0002318600000000 ] - [ 0.0006698900000000, -0.0001504400000000, 0.0001902900000000 ] - [ 0.0001976200000000, -0.0001591800000000, 0.0003218200000000 ] - [ 0.0004984300000000, -0.0001796000000000, -0.0008459600000000 ] - [ -0.0001584000000000, -0.0001811500000000, -0.0001144300000000 ] - [ 0.0000315700000000, -0.0015927800000000, 0.0011130800000000 ] - [ 0.0009379100000000, -0.0004407400000000, 0.0001130800000000 ] - [ -0.0003043300000000, 0.0002161800000000, 0.0002511100000000 ] - [ 0.0000534100000000, 0.0003732200000000, -0.0000926100000000 ] - [ -0.0006965800000000, -0.0007596800000000, -0.0017565600000000 ] - [ -0.0018122800000000, 0.0001221400000000, -0.0005168500000000 ] - [ -0.0018653100000000, 0.0000228200000000, 0.0007503500000000 ] - [ 0.0024469800000000, 0.0007261200000000, -0.0028978400000000 ] - [ -0.0026771600000000, 0.0022156600000000, 0.0058505600000000 ] - [ 0.0005126300000000, 0.0001861800000000, -0.0004443400000000 ] - [ -0.0002239900000000, -0.0001119600000000, 0.0001884900000000 ] - [ 0.0001079200000000, -0.0000618400000000, 0.0000795400000000 ] - [ -0.0001770100000000, 0.0002287800000000, -0.0001409000000000 ] - [ -0.0001597500000000, 0.0003422100000000, -0.0001037900000000 ] - [ -0.0005157700000000, 0.0006738600000000, 0.0001563500000000 ] - [ 0.0003432800000000, 0.0006073100000000, -0.0001169800000000 ] - [ -0.0000501100000000, -0.0005492500000000, 0.0002135800000000 ] - [ 0.0000692800000000, -0.0001830000000000, 0.0002064800000000 ] - [ -0.0007429500000000, -0.0006947600000000, 0.0000164900000000 ] - [ 0.0003036800000000, 0.0000637300000000, -0.0001274600000000 ] - [ -0.0000297700000000, 0.0001409100000000, 0.0002153700000000 ] - [ -0.0001176600000000, 0.0000031900000000, 0.0003696600000000 ] - [ -0.0001890300000000, 0.0007476500000000, -0.0020500700000000 ] - [ -0.0011304000000000, -0.0000868400000000, -0.0004719400000000 ] - [ -0.0001392000000000, 0.0004387000000000, 0.0003769300000000 ] - [ -0.0000340200000000, 0.0000677700000000, 0.0003033000000000 ] - [ -0.0001844800000000, 0.0023554100000000, 0.0020116100000000 ] - [ 0.0002493700000000, 0.0000108700000000, 0.0003893000000000 ] - [ 0.0011445100000000, 0.0010692100000000, -0.0012630500000000 ] - [ -0.0000143700000000, 0.0000863500000000, -0.0001069800000000 ] - [ -0.0015971200000000, 0.0005163100000000, 0.0016568200000000 ] - [ 0.0013724500000000, 0.0009641900000000, -0.0005449700000000 ] - [ -0.0001886800000000, 0.0002195800000000, -0.0002537200000000 ] - [ 0.0001796700000000, -0.0011298900000000, -0.0014850600000000 ] - [ 0.0011582400000000, 0.0013600200000000, -0.0008457200000000 ] - [ 0.0002319100000000, 0.0002734600000000, 0.0002279700000000 ] - [ -0.0007007800000000, 0.0007008700000000, -0.0000570000000000 ] - [ -0.0000824100000000, -0.0002426400000000, 0.0000433500000000 ] - [ 0.0020902000000000, 0.0012980100000000, 0.0041576300000000 ] - [ 0.0013366700000000, 0.0002523900000000, 0.0000722000000000 ] - [ -0.0005457100000000, 0.0000210200000000, 0.0006820800000000 ] - [ -0.0000206000000000, -0.0000647300000000, 0.0001937100000000 ] - [ 0.0006954100000000, -0.0019956800000000, -0.0018396600000000 ] - [ -0.0005265400000000, -0.0001966900000000, 0.0005980600000000 ] - [ 0.0006244900000000, -0.0000747200000000, -0.0004460400000000 ] - [ 0.0002732700000000, -0.0012692300000000, 0.0005893100000000 ] - [ 0.0004483300000000, 0.0002328900000000, 0.0004199900000000 ] - [ 0.0013761500000000, -0.0007525900000000, -0.0023238600000000 ] - [ 0.0061634700000000, 0.0017601400000000, -0.0039600400000000 ] - [ -0.0001673200000000, 0.0001593400000000, -0.0008993000000000 ] - [ -0.0004313500000000, 0.0000622700000000, 0.0000488500000000 ] - [ -0.0000795800000000, 0.0000823800000000, 0.0001704300000000 ]- atom: 7 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ 0.0007667500000000, -0.0005279200000000, -0.0002969700000000 ] - [ 0.0014322000000000, 0.0020662600000000, 0.0018184300000000 ] - [ 0.0001861500000000, 0.0002541800000000, 0.0007803500000000 ] - [ -0.0003724700000000, -0.0005933600000000, 0.0018332800000000 ] - [ 0.0001127600000000, 0.0002170700000000, -0.0003334500000000 ] - [ 0.0000678200000000, -0.0005440200000000, 0.0001281900000000 ] - [ -0.0146750500000000, 0.0043470900000000, -0.0012292100000000 ] - [ 0.0008618600000000, 0.0000485900000000, 0.0005671900000000 ] - [ -0.0001478200000000, -0.0000401600000000, -0.0004109800000000 ] - [ 0.0004630000000000, -0.0000637700000000, -0.0002336700000000 ] - [ -0.0008092800000000, 0.0001474200000000, -0.0026597900000000 ] - [ 0.0009073500000000, -0.0000657800000000, 0.0007549200000000 ] - [ 0.0000099100000000, -0.0005469500000000, -0.0004999900000000 ] - [ 0.0004173800000000, 0.0001915100000000, 0.0002663600000000 ] - [ -0.0002595100000000, -0.0002713300000000, -0.0001824900000000 ] - [ 0.0002751100000000, -0.0000579700000000, 0.0002100000000000 ] - [ 0.0008026400000000, 0.0015673300000000, -0.0017311700000000 ] - [ 0.0009895000000000, -0.0004270100000000, 0.0007688300000000 ] - [ -0.0000602900000000, -0.0000349000000000, -0.0003706500000000 ] - [ 0.0003757200000000, -0.0001929100000000, -0.0001391400000000 ] - [ -0.0042080800000000, -0.0023394500000000, -0.0005885200000000 ] - [ 0.0022776700000000, 0.0002043400000000, 0.0003478400000000 ] - [ -0.0042315000000000, 0.0076757400000000, 0.0003342400000000 ] - [ 0.0024316600000000, -0.0021249800000000, 0.0000493400000000 ] - [ 0.0012362200000000, -0.0062654700000000, 0.0004363900000000 ] - [ 0.0009970200000000, 0.0003226600000000, 0.0003850500000000 ] - [ -0.0027498400000000, 0.0018927600000000, -0.0004768800000000 ] - [ 0.0011781000000000, 0.0002869300000000, 0.0005104500000000 ] - [ -0.0023348100000000, 0.0005092700000000, -0.0001728200000000 ] - [ 0.0008210400000000, -0.0010434400000000, 0.0005253500000000 ] - [ -0.0022797900000000, -0.0002928100000000, -0.0010842100000000 ] - [ 0.0013075000000000, -0.0002335600000000, 0.0007478400000000 ] - [ 0.0116701800000000, -0.0105398700000000, -0.0032244300000000 ] - [ 0.0079011800000000, 0.0013395100000000, 0.0015020300000000 ] - [ 0.0015069200000000, -0.0009165900000000, 0.0000739600000000 ] - [ -0.0005423100000000, 0.0013836700000000, -0.0002287300000000 ] - [ -0.0095758000000000, -0.0037840000000000, -0.0051201600000000 ] - [ 0.0021165700000000, -0.0003187200000000, 0.0010975800000000 ] - [ -0.0083394300000000, -0.0036816500000000, 0.0025308700000000 ] - [ 0.0013304500000000, 0.0007930100000000, 0.0006821100000000 ] - [ -0.0025246500000000, -0.0039342400000000, -0.0005596100000000 ] - [ -0.0035082200000000, 0.0020428600000000, 0.0004014500000000 ] - [ 0.0035694400000000, -0.0008971400000000, -0.0005923200000000 ] - [ -0.0008953200000000, 0.0003374300000000, -0.0000210900000000 ] - [ 0.0009030400000000, 0.0002762900000000, 0.0006189500000000 ] - [ -0.0005262100000000, -0.0004001900000000, -0.0005896400000000 ] - [ 0.0014421400000000, 0.0000999300000000, -0.0003932600000000 ] - [ -0.0006614400000000, -0.0001626900000000, -0.0001512100000000 ] - [ 0.0014860200000000, -0.0008103900000000, -0.0008810800000000 ] - [ -0.0006451000000000, 0.0009047500000000, 0.0000803400000000 ] - [ 0.0040040100000000, -0.0005082000000000, 0.0015361600000000 ] - [ -0.0010305100000000, -0.0005052900000000, -0.0007606000000000 ] - [ 0.0036486000000000, -0.0003481600000000, 0.0012795500000000 ] - [ -0.0008844700000000, 0.0005075100000000, -0.0005862600000000 ] - [ 0.0025912600000000, 0.0017429000000000, -0.0000754100000000 ] - [ -0.0008193700000000, 0.0003359800000000, -0.0002023300000000 ] - [ 0.0012272600000000, 0.0005082600000000, -0.0000634300000000 ] - [ -0.0001525500000000, -0.0004663800000000, -0.0000667800000000 ] - [ -0.0000927300000000, -0.0006484400000000, -0.0000280100000000 ] - [ -0.0017380700000000, -0.0006542000000000, -0.0003343900000000 ] - [ 0.0012817400000000, 0.0004849800000000, 0.0012842500000000 ] - [ -0.0005247200000000, 0.0001662800000000, -0.0000729500000000 ] - [ 0.0005795100000000, 0.0001697200000000, 0.0000778600000000 ] - [ -0.0002704500000000, 0.0001111400000000, -0.0004696800000000 ] - [ 0.0019400200000000, 0.0003533700000000, 0.0000165800000000 ] - [ -0.0006748500000000, -0.0004846100000000, -0.0005559100000000 ] - [ -0.0000838500000000, 0.0004226000000000, 0.0001881200000000 ] - [ 0.0002122600000000, 0.0000235900000000, 0.0005634200000000 ] - [ 0.0005672800000000, -0.0001592500000000, -0.0000819900000000 ] - [ -0.0003603100000000, 0.0007093300000000, -0.0009128500000000 ] - [ 0.0037277300000000, 0.0013240200000000, 0.0003125500000000 ] - [ -0.0019487700000000, 0.0008637000000000, -0.0000970400000000 ] - [ 0.0040431800000000, 0.0008586500000000, 0.0015983800000000 ] - [ -0.0019317400000000, 0.0002308600000000, -0.0001695200000000 ] - [ 0.0004694500000000, 0.0000766900000000, 0.0000490200000000 ] - [ -0.0000215000000000, 0.0005224800000000, -0.0000227400000000 ] - [ -0.0016116700000000, 0.0014367900000000, -0.0000020100000000 ] - [ -0.0004613000000000, -0.0010524700000000, 0.0000527800000000 ] - [ 0.0017174900000000, 0.0001347000000000, 0.0006047200000000 ] - [ -0.0009142200000000, 0.0000292200000000, -0.0010025900000000 ] - [ 0.0015304400000000, 0.0031370300000000, -0.0022656600000000 ] - [ -0.0008119100000000, -0.0005738900000000, 0.0002394400000000 ] - [ -0.0006755300000000, 0.0001904500000000, 0.0006334300000000 ] - [ -0.0003855600000000, -0.0003021300000000, 0.0004933300000000 ] - [ -0.0024365400000000, 0.0019209300000000, 0.0024231900000000 ] - [ -0.0013204600000000, -0.0001152500000000, -0.0017668300000000 ] - [ 0.0019689400000000, 0.0036670100000000, 0.0005238800000000 ] - [ -0.0026462300000000, -0.0020491500000000, -0.0002228200000000 ] - [ 0.0017008900000000, -0.0012709400000000, 0.0011711300000000 ] - [ -0.0008838400000000, 0.0005096900000000, -0.0007494400000000 ] - [ 0.0023539700000000, 0.0031183400000000, 0.0027327600000000 ] - [ -0.0013792200000000, -0.0002151900000000, -0.0005511700000000 ]- atom: 7 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ -0.0010585700000000, 0.0004658400000000, 0.0004126500000000 ] - [ -0.0017338800000000, -0.0021371600000000, -0.0017113300000000 ] - [ -0.0005074200000000, -0.0003312400000000, -0.0001565400000000 ] - [ 0.0000644800000000, 0.0005165500000000, -0.0012038700000000 ] - [ -0.0001048300000000, -0.0002830500000000, 0.0000320100000000 ] - [ -0.0000560800000000, 0.0004787000000000, -0.0004265400000000 ] - [ 0.0149068800000000, -0.0043121900000000, 0.0021332300000000 ] - [ -0.0012415400000000, -0.0000041900000000, 0.0000874700000000 ] - [ 0.0005267500000000, 0.0000873000000000, -0.0002458700000000 ] - [ -0.0000813100000000, 0.0001106600000000, -0.0004223100000000 ] - [ 0.0008106700000000, -0.0002828400000000, 0.0025152900000000 ] - [ -0.0009080000000000, -0.0000672100000000, -0.0008963000000000 ] - [ 0.0002844900000000, 0.0004946900000000, 0.0003788000000000 ] - [ -0.0001273000000000, -0.0002442100000000, -0.0003893000000000 ] - [ 0.0002611400000000, 0.0001391100000000, 0.0003289800000000 ] - [ -0.0002735300000000, -0.0000758700000000, -0.0000635400000000 ] - [ -0.0008150000000000, -0.0016493200000000, 0.0020468600000000 ] - [ -0.0009986600000000, 0.0003523200000000, -0.0004690400000000 ] - [ 0.0003797900000000, -0.0000395500000000, -0.0002543700000000 ] - [ -0.0000612100000000, 0.0001177700000000, -0.0004890200000000 ] - [ 0.0041695400000000, 0.0018902200000000, 0.0004959300000000 ] - [ -0.0023574200000000, -0.0006308000000000, -0.0004395400000000 ] - [ 0.0038010600000000, -0.0076391200000000, -0.0005143200000000 ] - [ -0.0027905700000000, 0.0021341700000000, -0.0002304900000000 ] - [ -0.0011593700000000, 0.0058085800000000, -0.0003467400000000 ] - [ -0.0009127700000000, -0.0007578300000000, -0.0002947100000000 ] - [ 0.0031093900000000, -0.0018549500000000, 0.0006583800000000 ] - [ -0.0008215200000000, -0.0002844300000000, -0.0003299200000000 ] - [ 0.0015116400000000, -0.0008487300000000, 0.0002241800000000 ] - [ -0.0016332600000000, 0.0007126800000000, -0.0004660400000000 ] - [ 0.0019914600000000, -0.0000518300000000, 0.0009931200000000 ] - [ -0.0015898300000000, -0.0001017800000000, -0.0008440400000000 ] - [ -0.0121275000000000, 0.0116067600000000, 0.0033649100000000 ] - [ -0.0081845400000000, -0.0003340500000000, -0.0013103200000000 ] - [ -0.0011832100000000, 0.0019055000000000, -0.0002638600000000 ] - [ 0.0008884500000000, -0.0003991900000000, 0.0000442200000000 ] - [ 0.0103306100000000, 0.0035081900000000, 0.0050936800000000 ] - [ -0.0013052600000000, -0.0000206800000000, -0.0011572900000000 ] - [ 0.0085660500000000, 0.0033731800000000, -0.0024642400000000 ] - [ -0.0010467300000000, -0.0011378500000000, -0.0005869400000000 ] - [ 0.0040994800000000, 0.0028871700000000, 0.0009322600000000 ] - [ 0.0050379100000000, -0.0030808800000000, -0.0000176500000000 ] - [ -0.0039312500000000, 0.0013752800000000, 0.0009656200000000 ] - [ 0.0005418100000000, 0.0001617000000000, 0.0003988600000000 ] - [ -0.0009431000000000, -0.0005809500000000, -0.0008965200000000 ] - [ 0.0004866400000000, 0.0000893500000000, 0.0003164800000000 ] - [ -0.0011371900000000, -0.0002324600000000, -0.0000765200000000 ] - [ 0.0009712500000000, 0.0000206300000000, -0.0003117500000000 ] - [ -0.0011183300000000, 0.0013058900000000, 0.0005025400000000 ] - [ 0.0009972500000000, -0.0004094600000000, -0.0004606500000000 ] - [ -0.0042654300000000, 0.0001042000000000, -0.0016637000000000 ] - [ 0.0007689300000000, 0.0001239400000000, 0.0006220000000000 ] - [ -0.0039613700000000, 0.0007759200000000, -0.0013805400000000 ] - [ 0.0005673500000000, -0.0000688500000000, 0.0004982400000000 ] - [ -0.0025628400000000, -0.0005674700000000, -0.0000298800000000 ] - [ 0.0008377700000000, 0.0008409000000000, 0.0000977200000000 ] - [ -0.0011781500000000, -0.0008168200000000, 0.0003326900000000 ] - [ 0.0001909500000000, 0.0001618400000000, 0.0003353500000000 ] - [ -0.0014523000000000, -0.0004000100000000, -0.0003489800000000 ] - [ 0.0002071700000000, -0.0003842900000000, -0.0000415700000000 ] - [ -0.0014054100000000, -0.0001736100000000, -0.0005807300000000 ] - [ 0.0003971500000000, 0.0001552900000000, 0.0007774700000000 ] - [ -0.0003740900000000, -0.0000659000000000, -0.0005183300000000 ] - [ 0.0004755200000000, -0.0000098000000000, 0.0000304000000000 ] - [ -0.0021354100000000, -0.0002559800000000, 0.0004404100000000 ] - [ 0.0004680300000000, 0.0005911700000000, 0.0009963000000000 ] - [ 0.0003154200000000, -0.0001990100000000, 0.0005825500000000 ] - [ 0.0000125700000000, 0.0002003400000000, 0.0002059900000000 ] - [ -0.0004371000000000, 0.0004801300000000, -0.0006193400000000 ] - [ 0.0004873600000000, -0.0003921800000000, 0.0002077400000000 ] - [ -0.0037586700000000, -0.0002767800000000, -0.0002229100000000 ] - [ 0.0019280400000000, 0.0003094100000000, 0.0002009100000000 ] - [ -0.0047921200000000, -0.0004936900000000, -0.0025101200000000 ] - [ 0.0016937600000000, -0.0000072300000000, -0.0006000900000000 ] - [ -0.0001490600000000, 0.0003587600000000, 0.0000385700000000 ] - [ 0.0003375300000000, -0.0000893900000000, 0.0001079000000000 ] - [ 0.0011447100000000, -0.0016980300000000, 0.0000743900000000 ] - [ -0.0000150300000000, 0.0007975500000000, 0.0000177400000000 ] - [ -0.0013942600000000, -0.0000296200000000, -0.0010386900000000 ] - [ 0.0012411400000000, 0.0000660300000000, 0.0005597600000000 ] - [ -0.0017952200000000, -0.0032914200000000, 0.0027358200000000 ] - [ 0.0005007400000000, 0.0004355800000000, 0.0002237200000000 ] - [ -0.0002295100000000, -0.0005147200000000, 0.0004941600000000 ] - [ -0.0005255900000000, -0.0000216100000000, 0.0006308600000000 ] - [ 0.0033611300000000, -0.0022623400000000, -0.0035758100000000 ] - [ 0.0022185300000000, -0.0002093100000000, 0.0006348600000000 ] - [ -0.0015109800000000, -0.0039499200000000, -0.0005962300000000 ] - [ 0.0031096200000000, 0.0017755800000000, 0.0001511700000000 ] - [ -0.0014264700000000, 0.0008857100000000, -0.0010327600000000 ] - [ 0.0011451900000000, -0.0008957500000000, 0.0008887600000000 ] - [ -0.0026218900000000, -0.0030549300000000, -0.0023033100000000 ] - [ 0.0010547500000000, 0.0003159000000000, 0.0009915700000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011013200000000, -0.0006608300000000, -0.0002458500000000 ] - [ 0.0017417800000000, -0.0007644800000000, 0.0008964700000000 ] - [ -0.0000470800000000, -0.0010151500000000, 0.0005425200000000 ] - [ -0.0007635500000000, -0.0012400200000000, -0.0010593100000000 ] - [ 0.0004198500000000, 0.0006831500000000, -0.0000263600000000 ] - [ -0.0004631300000000, 0.0007060200000000, -0.0003848000000000 ] - [ 0.0040574300000000, -0.0561022800000000, -0.0052918700000000 ] - [ -0.0001632700000000, -0.0005335500000000, 0.0003004800000000 ] - [ 0.0002557600000000, 0.0018797200000000, -0.0003029900000000 ] - [ 0.0002778700000000, 0.0005528600000000, -0.0003426200000000 ] - [ 0.0002155200000000, -0.0018107800000000, -0.0000643100000000 ] - [ -0.0000523600000000, -0.0004662600000000, -0.0000827200000000 ] - [ -0.0002889400000000, 0.0007805800000000, -0.0001737800000000 ] - [ 0.0004902500000000, 0.0005036200000000, 0.0000757500000000 ] - [ -0.0000673100000000, 0.0015032600000000, -0.0000175500000000 ] - [ 0.0000728900000000, 0.0003634500000000, 0.0001478800000000 ] - [ 0.0013848800000000, -0.0009624000000000, 0.0001056800000000 ] - [ -0.0007634500000000, -0.0006226900000000, -0.0000696800000000 ] - [ 0.0003978200000000, 0.0011142000000000, -0.0000480900000000 ] - [ -0.0000656800000000, 0.0008439300000000, -0.0004849900000000 ] - [ -0.0046936000000000, 0.0079858500000000, 0.0006709500000000 ] - [ 0.0006830600000000, 0.0002430000000000, -0.0000656800000000 ] - [ 0.0082414100000000, 0.0073779800000000, 0.0007998600000000 ] - [ -0.0007950000000000, 0.0004876200000000, -0.0001779100000000 ] - [ -0.0048185300000000, 0.0043387500000000, -0.0013549000000000 ] - [ 0.0010285500000000, -0.0007139300000000, 0.0001780500000000 ] - [ 0.0011917900000000, 0.0092935700000000, -0.0014854100000000 ] - [ 0.0000502300000000, -0.0000043200000000, -0.0000031300000000 ] - [ 0.0001874000000000, 0.0029250200000000, 0.0032773700000000 ] - [ -0.0006555800000000, 0.0007379700000000, 0.0001124200000000 ] - [ 0.0002409400000000, 0.0041372400000000, -0.0026298100000000 ] - [ -0.0000852700000000, 0.0006691000000000, -0.0003295600000000 ] - [ -0.0073595000000000, -0.0006980400000000, 0.0006826700000000 ] - [ 0.0056370800000000, -0.0020638600000000, 0.0010457400000000 ] - [ -0.0010042000000000, 0.0034245900000000, -0.0002530900000000 ] - [ 0.0030021600000000, 0.0029622200000000, 0.0002767600000000 ] - [ -0.0032122800000000, 0.0052507600000000, 0.0165329600000000 ] - [ 0.0001841300000000, -0.0008073000000000, -0.0000712600000000 ] - [ -0.0034845000000000, 0.0002224900000000, -0.0117462000000000 ] - [ 0.0005993200000000, -0.0013155300000000, 0.0002551400000000 ] - [ -0.0045863400000000, 0.0007767200000000, -0.0002068000000000 ] - [ 0.0020344100000000, -0.0006869300000000, 0.0002981900000000 ] - [ 0.0000584400000000, -0.0023069400000000, -0.0019914600000000 ] - [ 0.0000429900000000, 0.0004253900000000, 0.0002196700000000 ] - [ -0.0000922100000000, -0.0015786700000000, 0.0010428800000000 ] - [ -0.0001827800000000, -0.0003432400000000, -0.0002865300000000 ] - [ 0.0006760200000000, -0.0027491200000000, 0.0011386200000000 ] - [ 0.0000103100000000, -0.0004748300000000, -0.0000826400000000 ] - [ -0.0009902900000000, -0.0018687700000000, -0.0024349900000000 ] - [ 0.0005055300000000, -0.0001088900000000, -0.0003009100000000 ] - [ 0.0009579000000000, -0.0004773000000000, 0.0023266500000000 ] - [ -0.0001668900000000, 0.0001114900000000, -0.0000611100000000 ] - [ -0.0004313700000000, 0.0045310600000000, -0.0028757900000000 ] - [ 0.0000039500000000, 0.0008217600000000, 0.0000441800000000 ] - [ 0.0012298900000000, -0.0016779900000000, 0.0003393700000000 ] - [ -0.0002357100000000, 0.0004940300000000, -0.0000597500000000 ] - [ 0.0009019500000000, -0.0009304500000000, 0.0021655500000000 ] - [ -0.0004490600000000, 0.0001264800000000, -0.0003637600000000 ] - [ -0.0032285400000000, -0.0033325200000000, -0.0000162000000000 ] - [ -0.0003388300000000, -0.0009223300000000, -0.0001126800000000 ] - [ -0.0000098400000000, -0.0005924600000000, -0.0016023000000000 ] - [ 0.0001023700000000, 0.0002434400000000, 0.0005618600000000 ] - [ -0.0000750300000000, -0.0021074200000000, 0.0004831400000000 ] - [ 0.0000160200000000, -0.0005604100000000, -0.0000751100000000 ] - [ 0.0001521200000000, 0.0031695100000000, 0.0022131000000000 ] - [ -0.0003167200000000, 0.0008559500000000, 0.0003118100000000 ] - [ 0.0001441100000000, -0.0011731400000000, 0.0007915700000000 ] - [ -0.0004872900000000, -0.0011033500000000, 0.0007810200000000 ] - [ -0.0002848400000000, -0.0002231100000000, -0.0012156500000000 ] - [ 0.0002688500000000, -0.0000861900000000, -0.0000862500000000 ] - [ 0.0003961100000000, 0.0279058200000000, 0.0025326900000000 ] - [ 0.0000209600000000, 0.0005779700000000, 0.0000850200000000 ] - [ 0.0000455300000000, 0.0039384900000000, -0.0002478700000000 ] - [ -0.0011687900000000, 0.0016382800000000, 0.0002968500000000 ] - [ -0.0001653900000000, -0.0016040700000000, -0.0007173900000000 ] - [ 0.0002025200000000, -0.0005040300000000, -0.0000024600000000 ] - [ 0.0021297800000000, -0.0022083100000000, 0.0002308600000000 ] - [ -0.0014392400000000, -0.0006057100000000, -0.0000867200000000 ] - [ 0.0003633800000000, -0.0023752900000000, -0.0021815800000000 ] - [ 0.0001286800000000, -0.0003211000000000, -0.0003101600000000 ] - [ 0.0018877200000000, -0.0003974900000000, 0.0023383600000000 ] - [ -0.0004159800000000, 0.0003859100000000, 0.0001951800000000 ] - [ -0.0002720300000000, -0.0013632300000000, 0.0003390300000000 ] - [ -0.0010064700000000, -0.0011950700000000, 0.0000177500000000 ] - [ 0.0018296800000000, 0.0015833400000000, -0.0017707600000000 ] - [ -0.0004972700000000, 0.0010156300000000, -0.0015104800000000 ] - [ 0.0028422300000000, 0.0001836700000000, -0.0001444600000000 ] - [ -0.0014591400000000, -0.0005594700000000, -0.0001969900000000 ] - [ -0.0009989400000000, -0.0025995200000000, 0.0015710300000000 ] - [ 0.0003161800000000, -0.0006244600000000, 0.0003218700000000 ] - [ 0.0018073900000000, -0.0007509000000000, -0.0010231400000000 ] - [ -0.0002516200000000, 0.0004222100000000, 0.0001288700000000 ]- atom: 7 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008077800000000, 0.0006031100000000, 0.0003681600000000 ] - [ -0.0020363400000000, 0.0007134500000000, -0.0007752200000000 ] - [ -0.0002697700000000, 0.0009337100000000, 0.0000821500000000 ] - [ 0.0004475400000000, 0.0011516700000000, 0.0016880000000000 ] - [ -0.0004092800000000, -0.0007520500000000, -0.0002718100000000 ] - [ 0.0004722500000000, -0.0007746700000000, 0.0000859700000000 ] - [ -0.0046091500000000, 0.0549062600000000, 0.0058136100000000 ] - [ -0.0002172200000000, 0.0005782700000000, 0.0003551100000000 ] - [ 0.0001259200000000, -0.0018364100000000, -0.0003522300000000 ] - [ 0.0001030500000000, -0.0005083900000000, -0.0003131200000000 ] - [ -0.0002182900000000, 0.0016650600000000, -0.0000824800000000 ] - [ 0.0000507600000000, 0.0003296700000000, -0.0000633600000000 ] - [ 0.0005804200000000, -0.0008378000000000, 0.0000497800000000 ] - [ -0.0001978600000000, -0.0005613700000000, -0.0001991200000000 ] - [ 0.0000689300000000, -0.0016371000000000, 0.0001654700000000 ] - [ -0.0000715500000000, -0.0004983400000000, 0.0000016100000000 ] - [ -0.0013933100000000, 0.0008997300000000, 0.0001946200000000 ] - [ 0.0007539100000000, 0.0005534300000000, 0.0003670800000000 ] - [ -0.0000813000000000, -0.0011911300000000, -0.0005792600000000 ] - [ 0.0003833400000000, -0.0009199000000000, -0.0001414800000000 ] - [ 0.0046517000000000, -0.0083581600000000, -0.0007520400000000 ] - [ -0.0007667200000000, -0.0006770600000000, -0.0000252900000000 ] - [ -0.0085746800000000, -0.0073021800000000, -0.0009704600000000 ] - [ 0.0004404500000000, -0.0004899300000000, -0.0000048600000000 ] - [ 0.0049454800000000, -0.0047838000000000, 0.0014499000000000 ] - [ -0.0009472900000000, 0.0002850300000000, -0.0000875400000000 ] - [ -0.0008494900000000, -0.0093709800000000, 0.0016931900000000 ] - [ 0.0003076900000000, 0.0000103800000000, 0.0001845700000000 ] - [ -0.0010031900000000, -0.0032553000000000, -0.0032170200000000 ] - [ -0.0001583800000000, -0.0010755300000000, -0.0000556600000000 ] - [ -0.0005217700000000, -0.0044610200000000, 0.0025380300000000 ] - [ -0.0001960400000000, -0.0010095000000000, 0.0002357300000000 ] - [ 0.0070147000000000, 0.0016282100000000, -0.0005035400000000 ] - [ -0.0059682400000000, 0.0030434900000000, -0.0008580100000000 ] - [ 0.0013354500000000, -0.0024353500000000, 0.0000661100000000 ] - [ -0.0026806700000000, -0.0019759700000000, -0.0004635400000000 ] - [ 0.0040861600000000, -0.0056092700000000, -0.0167814400000000 ] - [ 0.0006296400000000, 0.0004723800000000, 0.0000130100000000 ] - [ 0.0037854100000000, -0.0005441000000000, 0.0119069700000000 ] - [ -0.0003158900000000, 0.0009800400000000, -0.0001605200000000 ] - [ 0.0061174000000000, -0.0017956000000000, 0.0005821700000000 ] - [ -0.0005136200000000, -0.0003432800000000, 0.0000792700000000 ] - [ -0.0004267800000000, 0.0027234500000000, 0.0023599800000000 ] - [ -0.0003975000000000, 0.0000695900000000, 0.0001598300000000 ] - [ 0.0000507200000000, 0.0012649800000000, -0.0013054400000000 ] - [ 0.0001427400000000, 0.0000348000000000, 0.0000151300000000 ] - [ -0.0003703900000000, 0.0026082400000000, -0.0016098500000000 ] - [ 0.0003001700000000, 0.0003338500000000, -0.0003809000000000 ] - [ 0.0013441000000000, 0.0023593000000000, 0.0020557300000000 ] - [ -0.0001529800000000, 0.0006065800000000, -0.0000769700000000 ] - [ -0.0012455500000000, -0.0000359400000000, -0.0024049800000000 ] - [ -0.0000939900000000, -0.0004980000000000, -0.0000788900000000 ] - [ 0.0001155400000000, -0.0041358200000000, 0.0027878300000000 ] - [ -0.0003215100000000, -0.0003889100000000, -0.0001308100000000 ] - [ -0.0012206600000000, 0.0028515300000000, -0.0004463600000000 ] - [ 0.0002556700000000, 0.0006769300000000, -0.0000438900000000 ] - [ -0.0008629300000000, 0.0006209000000000, -0.0019014700000000 ] - [ 0.0004905100000000, -0.0004360900000000, 0.0006352200000000 ] - [ 0.0017012900000000, 0.0022967200000000, -0.0003619700000000 ] - [ -0.0011952900000000, -0.0001185900000000, -0.0002629900000000 ] - [ -0.0001218100000000, 0.0009006900000000, 0.0023145600000000 ] - [ -0.0002305700000000, 0.0000762300000000, 0.0001434400000000 ] - [ 0.0002799900000000, 0.0022070400000000, -0.0009229700000000 ] - [ 0.0001896500000000, 0.0006627100000000, -0.0003648700000000 ] - [ -0.0003554100000000, -0.0030838700000000, -0.0017686500000000 ] - [ 0.0001100600000000, -0.0007553700000000, 0.0001262800000000 ] - [ 0.0000837600000000, 0.0013964500000000, -0.0000216700000000 ] - [ 0.0007175700000000, 0.0013274400000000, -0.0000117900000000 ] - [ 0.0004131400000000, 0.0005431900000000, 0.0005069400000000 ] - [ -0.0001397800000000, 0.0004074800000000, -0.0006198600000000 ] - [ -0.0003563400000000, -0.0250455800000000, -0.0022659100000000 ] - [ -0.0000414200000000, 0.0005957200000000, 0.0000193000000000 ] - [ -0.0002725200000000, -0.0037043600000000, -0.0005161300000000 ] - [ 0.0009409900000000, -0.0014124400000000, -0.0010674100000000 ] - [ 0.0004841400000000, 0.0020370900000000, 0.0008039300000000 ] - [ 0.0001162200000000, 0.0009377500000000, 0.0000897000000000 ] - [ -0.0026033100000000, 0.0019451000000000, -0.0001588200000000 ] - [ 0.0009720200000000, 0.0003402300000000, 0.0001583100000000 ] - [ -0.0000422700000000, 0.0024729900000000, 0.0017476200000000 ] - [ 0.0002002500000000, 0.0004175000000000, -0.0001303500000000 ] - [ -0.0021958400000000, 0.0002260100000000, -0.0018710000000000 ] - [ 0.0001042500000000, -0.0005307700000000, 0.0002679000000000 ] - [ -0.0006352200000000, 0.0010375800000000, 0.0007889200000000 ] - [ 0.0001013300000000, 0.0008709700000000, 0.0011112600000000 ] - [ -0.0009303600000000, -0.0018917400000000, 0.0006458200000000 ] - [ 0.0014038700000000, -0.0013386600000000, 0.0003817500000000 ] - [ -0.0023588600000000, -0.0004383300000000, 0.0000724400000000 ] - [ 0.0019320400000000, 0.0002967100000000, 0.0001254100000000 ] - [ 0.0012613500000000, 0.0022112400000000, -0.0014367500000000 ] - [ -0.0000550300000000, 0.0002411800000000, -0.0001828300000000 ] - [ -0.0021188700000000, 0.0007933000000000, 0.0014510000000000 ] - [ -0.0000740800000000, -0.0003266800000000, 0.0003127500000000 ]- atom: 7 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ -0.0010257400000000, 0.0000492500000000, 0.0010034700000000 ] - [ 0.0007968800000000, -0.0001094600000000, -0.0006172400000000 ] - [ 0.0003969000000000, 0.0003719800000000, 0.0009400000000000 ] - [ 0.0015227500000000, -0.0011303400000000, 0.0021547300000000 ] - [ -0.0001189100000000, -0.0000802500000000, 0.0000317500000000 ] - [ 0.0000764000000000, 0.0000917300000000, -0.0003167400000000 ] - [ 0.0045193100000000, -0.0066148100000000, -0.0118064600000000 ] - [ -0.0004193800000000, -0.0000129900000000, 0.0004034200000000 ] - [ 0.0002590300000000, 0.0000279400000000, -0.0005212200000000 ] - [ 0.0001607800000000, 0.0000733700000000, -0.0002861800000000 ] - [ -0.0020536000000000, -0.0002714100000000, 0.0038482900000000 ] - [ 0.0000260500000000, -0.0000918800000000, -0.0002821800000000 ] - [ 0.0000570500000000, 0.0002171000000000, 0.0002924600000000 ] - [ 0.0001833500000000, -0.0000749600000000, -0.0001727100000000 ] - [ -0.0005100500000000, -0.0000209000000000, 0.0004035000000000 ] - [ 0.0000989300000000, -0.0000228500000000, 0.0000342600000000 ] - [ -0.0020870700000000, -0.0011609900000000, 0.0024074900000000 ] - [ 0.0003431400000000, 0.0000118100000000, -0.0000284900000000 ] - [ 0.0004097800000000, 0.0002862000000000, -0.0001348300000000 ] - [ 0.0003155000000000, -0.0002162100000000, -0.0002771500000000 ] - [ 0.0009167200000000, 0.0012954200000000, -0.0008569800000000 ] - [ -0.0006484800000000, -0.0003098000000000, -0.0000058200000000 ] - [ 0.0019958200000000, -0.0023567500000000, -0.0023844600000000 ] - [ -0.0010045200000000, 0.0007164000000000, 0.0000871300000000 ] - [ -0.0002196000000000, 0.0014017000000000, -0.0064519200000000 ] - [ -0.0002523700000000, -0.0002300300000000, 0.0002864300000000 ] - [ 0.0008656000000000, -0.0024012100000000, -0.0063310900000000 ] - [ 0.0000670200000000, -0.0000123600000000, 0.0003478600000000 ] - [ 0.0001945600000000, 0.0007776900000000, -0.0004079300000000 ] - [ -0.0006515600000000, -0.0000215000000000, 0.0003398600000000 ] - [ 0.0001943800000000, -0.0014895300000000, -0.0013358800000000 ] - [ -0.0004124100000000, -0.0000447500000000, -0.0000698400000000 ] - [ -0.0058761300000000, 0.0044358700000000, -0.0049945200000000 ] - [ -0.0034657900000000, 0.0007442800000000, -0.0009785900000000 ] - [ -0.0000562600000000, 0.0010045500000000, -0.0000866700000000 ] - [ -0.0000097600000000, 0.0001578200000000, -0.0002932900000000 ] - [ -0.0002064600000000, 0.0173067000000000, 0.0060197000000000 ] - [ 0.0004903600000000, -0.0004135300000000, 0.0002311700000000 ] - [ 0.0062012800000000, -0.0086878200000000, 0.0050660500000000 ] - [ 0.0002987200000000, -0.0002004400000000, 0.0009212600000000 ] - [ 0.0021928700000000, 0.0007066500000000, 0.0019489600000000 ] - [ 0.0019381800000000, -0.0010362600000000, 0.0009432000000000 ] - [ -0.0019887700000000, -0.0023905100000000, 0.0040603900000000 ] - [ -0.0001124500000000, 0.0003114700000000, -0.0000642400000000 ] - [ -0.0000198100000000, 0.0012802200000000, -0.0004933500000000 ] - [ -0.0000282100000000, -0.0002067400000000, -0.0001139200000000 ] - [ -0.0002885100000000, -0.0004447700000000, 0.0006018300000000 ] - [ 0.0003669100000000, -0.0000320700000000, -0.0003692900000000 ] - [ -0.0002802100000000, 0.0005065000000000, 0.0005539500000000 ] - [ 0.0004464500000000, -0.0000018300000000, -0.0004687100000000 ] - [ -0.0017101900000000, 0.0026637400000000, 0.0018431100000000 ] - [ -0.0001483500000000, -0.0002543600000000, -0.0003102100000000 ] - [ -0.0004884400000000, -0.0031414400000000, -0.0025628200000000 ] - [ -0.0003716700000000, 0.0003070300000000, -0.0001918000000000 ] - [ -0.0009938100000000, 0.0004987800000000, 0.0020939500000000 ] - [ 0.0001301400000000, 0.0006171100000000, -0.0001620300000000 ] - [ -0.0007481800000000, 0.0016587100000000, -0.0008087900000000 ] - [ -0.0002963900000000, -0.0001548300000000, -0.0001734900000000 ] - [ -0.0005229500000000, -0.0000279900000000, 0.0007428400000000 ] - [ -0.0006249700000000, -0.0005550300000000, -0.0002287100000000 ] - [ 0.0004733700000000, -0.0027223600000000, -0.0009263400000000 ] - [ -0.0002068100000000, 0.0002196900000000, 0.0003200600000000 ] - [ 0.0001734400000000, 0.0003518100000000, -0.0001190400000000 ] - [ 0.0001174600000000, 0.0000117400000000, -0.0001928300000000 ] - [ -0.0012710300000000, 0.0023418000000000, -0.0036894600000000 ] - [ -0.0004134000000000, 0.0000609400000000, 0.0000120100000000 ] - [ 0.0000627000000000, -0.0000138800000000, 0.0005181800000000 ] - [ 0.0001608900000000, 0.0001257500000000, 0.0002211900000000 ] - [ -0.0000051800000000, -0.0005882400000000, -0.0007005400000000 ] - [ -0.0000026900000000, 0.0002009300000000, -0.0003755400000000 ] - [ -0.0012562500000000, 0.0021782000000000, 0.0010574500000000 ] - [ 0.0004942400000000, 0.0004973800000000, 0.0000056400000000 ] - [ -0.0013554400000000, 0.0001804800000000, 0.0027645700000000 ] - [ 0.0007101700000000, 0.0000291100000000, -0.0006007900000000 ] - [ 0.0000465200000000, 0.0000478100000000, 0.0001062300000000 ] - [ 0.0001368500000000, 0.0001152400000000, -0.0000327200000000 ] - [ 0.0002213500000000, -0.0005885600000000, 0.0009501600000000 ] - [ -0.0000609900000000, 0.0001855700000000, 0.0001324800000000 ] - [ -0.0001818100000000, 0.0000001300000000, -0.0000212500000000 ] - [ 0.0003520200000000, 0.0000461400000000, -0.0001946300000000 ] - [ -0.0026114300000000, 0.0014476200000000, 0.0030558100000000 ] - [ 0.0000792900000000, -0.0000008100000000, -0.0002410400000000 ] - [ -0.0003040200000000, -0.0002093800000000, 0.0005187700000000 ] - [ -0.0004720400000000, -0.0001600100000000, 0.0007489100000000 ] - [ 0.0043992700000000, -0.0018047400000000, -0.0004449500000000 ] - [ 0.0007917300000000, -0.0005089200000000, 0.0001417700000000 ] - [ -0.0002143100000000, -0.0011949800000000, 0.0005794900000000 ] - [ 0.0012554400000000, 0.0004120900000000, 0.0000367200000000 ] - [ -0.0003824400000000, -0.0000465600000000, 0.0004638500000000 ] - [ 0.0003486900000000, -0.0004215300000000, 0.0001995400000000 ] - [ 0.0012512900000000, -0.0036568300000000, 0.0025712500000000 ] - [ -0.0001607400000000, 0.0001649700000000, 0.0001155800000000 ]- atom: 7 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ 0.0007378600000000, -0.0001115400000000, -0.0008759000000000 ] - [ -0.0010830000000000, 0.0000575800000000, 0.0007480700000000 ] - [ -0.0007077900000000, -0.0004456800000000, -0.0003133400000000 ] - [ -0.0018568400000000, 0.0010601200000000, -0.0015298100000000 ] - [ 0.0001284000000000, 0.0000128500000000, -0.0003285900000000 ] - [ -0.0000656200000000, -0.0001605000000000, 0.0000195400000000 ] - [ -0.0050083800000000, 0.0071131400000000, 0.0127410600000000 ] - [ 0.0000384300000000, 0.0000592200000000, 0.0002518800000000 ] - [ 0.0001218200000000, 0.0000176400000000, -0.0001348100000000 ] - [ 0.0002212200000000, -0.0000271700000000, -0.0003695400000000 ] - [ 0.0020572100000000, 0.0001561500000000, -0.0039950600000000 ] - [ -0.0000290500000000, -0.0000415600000000, 0.0001354000000000 ] - [ 0.0002365300000000, -0.0002704500000000, -0.0004171600000000 ] - [ 0.0001077700000000, 0.0000184700000000, 0.0000494600000000 ] - [ 0.0005114700000000, -0.0001140200000000, -0.0002569100000000 ] - [ -0.0000976700000000, -0.0001110800000000, 0.0001159300000000 ] - [ 0.0020625100000000, 0.0010741000000000, -0.0021069800000000 ] - [ -0.0003539800000000, -0.0000810200000000, 0.0003244800000000 ] - [ -0.0000923700000000, -0.0003623800000000, -0.0004907300000000 ] - [ 0.0000026800000000, 0.0001401100000000, -0.0003498400000000 ] - [ -0.0009723200000000, -0.0017547700000000, 0.0007565800000000 ] - [ 0.0005609200000000, -0.0001214800000000, -0.0000851600000000 ] - [ -0.0023938900000000, 0.0023306000000000, 0.0022108300000000 ] - [ 0.0006468300000000, -0.0007106400000000, -0.0002698300000000 ] - [ 0.0002901600000000, -0.0018185600000000, 0.0065638100000000 ] - [ 0.0003394200000000, -0.0002029700000000, -0.0001990800000000 ] - [ -0.0005034300000000, 0.0024275700000000, 0.0065007900000000 ] - [ 0.0002904600000000, 0.0000164100000000, -0.0001661700000000 ] - [ -0.0010047000000000, -0.0011066000000000, 0.0004434900000000 ] - [ -0.0001641000000000, -0.0003115700000000, -0.0002827800000000 ] - [ -0.0004756300000000, 0.0011626000000000, 0.0012695400000000 ] - [ 0.0001302700000000, -0.0002927600000000, -0.0000237000000000 ] - [ 0.0055528800000000, -0.0034353200000000, 0.0050678300000000 ] - [ 0.0031155100000000, 0.0002528400000000, 0.0011696000000000 ] - [ 0.0003827300000000, -0.0000152300000000, -0.0000993200000000 ] - [ 0.0003438700000000, 0.0008310100000000, 0.0001063600000000 ] - [ 0.0010102000000000, -0.0178272500000000, -0.0061200300000000 ] - [ 0.0003257900000000, 0.0000770400000000, -0.0002880400000000 ] - [ -0.0058638100000000, 0.0082502100000000, -0.0049962100000000 ] - [ -0.0000195200000000, -0.0001403100000000, -0.0008273100000000 ] - [ -0.0006301800000000, -0.0017422200000000, -0.0015862100000000 ] - [ -0.0004097900000000, 0.0000000900000000, -0.0005532900000000 ] - [ 0.0016526800000000, 0.0028884700000000, -0.0037079500000000 ] - [ -0.0002416100000000, 0.0001868600000000, 0.0004425200000000 ] - [ -0.0000185300000000, -0.0016063700000000, 0.0002148200000000 ] - [ -0.0000120800000000, -0.0001023200000000, -0.0001585200000000 ] - [ 0.0005980100000000, 0.0003124800000000, -0.0010772500000000 ] - [ -0.0000548400000000, -0.0001080200000000, -0.0000949500000000 ] - [ 0.0006391200000000, -0.0000018700000000, -0.0009212800000000 ] - [ -0.0000928500000000, 0.0004989100000000, 0.0000906400000000 ] - [ 0.0014328500000000, -0.0031070000000000, -0.0019130900000000 ] - [ -0.0001100800000000, -0.0001282300000000, 0.0001716000000000 ] - [ 0.0002030100000000, 0.0035385900000000, 0.0023167900000000 ] - [ 0.0000516900000000, 0.0001294500000000, 0.0001043700000000 ] - [ 0.0010143800000000, 0.0006756800000000, -0.0021993300000000 ] - [ -0.0001114200000000, 0.0005586000000000, 0.0000587100000000 ] - [ 0.0007863000000000, -0.0019506000000000, 0.0010859900000000 ] - [ 0.0003388000000000, -0.0001505600000000, 0.0004431600000000 ] - [ -0.0010125300000000, -0.0010103100000000, -0.0011180300000000 ] - [ -0.0009068300000000, -0.0004820500000000, -0.0001469400000000 ] - [ -0.0006009400000000, 0.0030536400000000, 0.0016259100000000 ] - [ 0.0000786900000000, 0.0001019700000000, 0.0003840600000000 ] - [ 0.0000309700000000, -0.0002521300000000, -0.0003248300000000 ] - [ 0.0000886400000000, 0.0000914000000000, -0.0002467500000000 ] - [ 0.0010382500000000, -0.0022093600000000, 0.0041162400000000 ] - [ 0.0002105600000000, 0.0000425300000000, 0.0004266000000000 ] - [ 0.0001679500000000, 0.0002396900000000, 0.0002510800000000 ] - [ 0.0000664200000000, 0.0000993800000000, 0.0005490200000000 ] - [ 0.0001292400000000, 0.0008978900000000, 0.0000001900000000 ] - [ 0.0001323000000000, 0.0001189600000000, -0.0003295600000000 ] - [ 0.0012424100000000, -0.0011130900000000, -0.0009770600000000 ] - [ -0.0005119800000000, 0.0006765400000000, 0.0000986000000000 ] - [ 0.0011271600000000, 0.0000497200000000, -0.0035150100000000 ] - [ -0.0009353200000000, 0.0001903000000000, -0.0001781500000000 ] - [ 0.0002724600000000, 0.0003867000000000, -0.0000150200000000 ] - [ 0.0001823000000000, 0.0003199700000000, 0.0001193900000000 ] - [ -0.0006918300000000, 0.0003289700000000, -0.0008814300000000 ] - [ -0.0004136300000000, -0.0004458600000000, -0.0000583800000000 ] - [ 0.0005067500000000, 0.0001051900000000, -0.0004076500000000 ] - [ -0.0000211600000000, 0.0000512500000000, -0.0002453800000000 ] - [ 0.0022961000000000, -0.0015982500000000, -0.0025677200000000 ] - [ -0.0003891900000000, -0.0001386600000000, 0.0007068800000000 ] - [ -0.0006018000000000, -0.0001140800000000, 0.0006080300000000 ] - [ -0.0004360800000000, -0.0001632900000000, 0.0003785400000000 ] - [ -0.0034605900000000, 0.0014610000000000, -0.0006508800000000 ] - [ 0.0001195600000000, 0.0001847500000000, -0.0012684800000000 ] - [ 0.0006740200000000, 0.0009321700000000, -0.0006384000000000 ] - [ -0.0007749800000000, -0.0006721800000000, -0.0001082200000000 ] - [ 0.0006480200000000, -0.0003295100000000, -0.0003368600000000 ] - [ -0.0000880900000000, 0.0000376900000000, -0.0000600000000000 ] - [ -0.0015576700000000, 0.0037390100000000, -0.0021801500000000 ] - [ -0.0001675000000000, -0.0000666700000000, 0.0003252600000000 ]- atom: 11 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ 0.0001482600000000, -0.0016028300000000, 0.0011990800000000 ] - [ 0.0004340000000000, 0.0004925100000000, 0.0000488300000000 ] - [ 0.0045193000000000, -0.0000202000000000, 0.0008060600000000 ] - [ 0.0052777600000000, -0.0000579300000000, 0.0000028100000000 ] - [ -0.0001608900000000, 0.0009839000000000, 0.0006887600000000 ] - [ 0.0004371500000000, -0.0003592100000000, -0.0001207100000000 ] - [ -0.0010008100000000, 0.0002394200000000, -0.0023168800000000 ] - [ 0.0007193000000000, -0.0000290900000000, 0.0007822100000000 ] - [ -0.0000699400000000, 0.0000911300000000, -0.0010132500000000 ] - [ 0.0004662000000000, -0.0000498700000000, -0.0000904400000000 ] - [ -0.0317620300000000, -0.0015312700000000, -0.0027206300000000 ] - [ 0.0008606400000000, -0.0000451200000000, 0.0002747200000000 ] - [ -0.0002379600000000, -0.0014134200000000, 0.0006937400000000 ] - [ 0.0006675100000000, 0.0001920700000000, 0.0000032800000000 ] - [ -0.0009861500000000, -0.0000838100000000, 0.0002502700000000 ] - [ 0.0003952500000000, -0.0000767800000000, 0.0001283500000000 ] - [ -0.0006737900000000, 0.0023448800000000, 0.0014346800000000 ] - [ 0.0005653800000000, -0.0003340000000000, 0.0002617400000000 ] - [ 0.0003294100000000, -0.0000581500000000, -0.0002194300000000 ] - [ 0.0005883500000000, -0.0000286700000000, -0.0001612700000000 ] - [ -0.0024737600000000, -0.0007532700000000, -0.0030529500000000 ] - [ 0.0016471800000000, 0.0001574700000000, 0.0008664900000000 ] - [ -0.0022086100000000, 0.0009136600000000, -0.0030926900000000 ] - [ 0.0017269000000000, -0.0010173200000000, 0.0008134500000000 ] - [ -0.0003460500000000, -0.0008498600000000, -0.0022485400000000 ] - [ 0.0005241700000000, 0.0001999900000000, 0.0009428500000000 ] - [ -0.0006116600000000, -0.0004144400000000, -0.0024199500000000 ] - [ 0.0008769600000000, 0.0001010400000000, 0.0008279300000000 ] - [ 0.0001023400000000, 0.0067814900000000, -0.0071885200000000 ] - [ 0.0013892200000000, -0.0009924800000000, 0.0009734200000000 ] - [ -0.0031898600000000, -0.0060493500000000, -0.0064546300000000 ] - [ 0.0014790600000000, 0.0003220800000000, 0.0011876400000000 ] - [ 0.0015865700000000, -0.0025694000000000, 0.0050114800000000 ] - [ -0.0006665800000000, 0.0024979000000000, 0.0029616700000000 ] - [ 0.0007896900000000, 0.0005286900000000, 0.0000327600000000 ] - [ -0.0005011400000000, 0.0004690500000000, -0.0001599000000000 ] - [ -0.0031429300000000, 0.0062159800000000, -0.0045444700000000 ] - [ 0.0018777100000000, -0.0008970100000000, 0.0010199600000000 ] - [ 0.0005373700000000, -0.0071398000000000, -0.0052660600000000 ] - [ 0.0015613700000000, 0.0006750200000000, 0.0009474500000000 ] - [ 0.0021184700000000, -0.0013349300000000, -0.0001169500000000 ] - [ -0.0013950000000000, 0.0006810800000000, -0.0007572900000000 ] - [ -0.0001802000000000, -0.0016128200000000, 0.0028951100000000 ] - [ -0.0007122300000000, 0.0005467200000000, -0.0003033300000000 ] - [ 0.0051670800000000, -0.0003921800000000, 0.0008191500000000 ] - [ -0.0010228000000000, -0.0007136000000000, -0.0007364900000000 ] - [ 0.0000940300000000, 0.0006401100000000, 0.0023670000000000 ] - [ -0.0005364300000000, -0.0001455300000000, -0.0005972000000000 ] - [ -0.0003267600000000, -0.0001955700000000, 0.0026682700000000 ] - [ -0.0008366200000000, 0.0006511800000000, -0.0006800900000000 ] - [ 0.0013921500000000, 0.0017065300000000, 0.0029025500000000 ] - [ -0.0009137200000000, -0.0004762500000000, -0.0008489500000000 ] - [ 0.0018870200000000, -0.0034670600000000, 0.0016471500000000 ] - [ -0.0011318600000000, 0.0008352500000000, -0.0005218000000000 ] - [ 0.0006377600000000, 0.0008267700000000, 0.0008182400000000 ] - [ -0.0005941800000000, 0.0004340600000000, -0.0003821800000000 ] - [ -0.0002319500000000, 0.0026185600000000, 0.0003562100000000 ] - [ -0.0004065900000000, -0.0003757800000000, -0.0000825500000000 ] - [ -0.0001583800000000, -0.0002684600000000, 0.0003113200000000 ] - [ -0.0013158000000000, -0.0007083100000000, -0.0003522800000000 ] - [ 0.0011586300000000, -0.0019101400000000, 0.0003914500000000 ] - [ -0.0005441100000000, 0.0003300800000000, 0.0001395800000000 ] - [ 0.0014172200000000, 0.0025123600000000, 0.0003716100000000 ] - [ -0.0004006600000000, -0.0000980200000000, -0.0004789600000000 ] - [ 0.0040509600000000, 0.0001028600000000, 0.0007879500000000 ] - [ -0.0009733300000000, -0.0004477800000000, -0.0002516900000000 ] - [ -0.0001395700000000, 0.0000005000000000, 0.0004932800000000 ] - [ 0.0002536400000000, 0.0002520800000000, 0.0002172800000000 ] - [ 0.0073913600000000, 0.0031067000000000, 0.0006754900000000 ] - [ -0.0008232600000000, 0.0006524500000000, -0.0008172500000000 ] - [ 0.0014419200000000, 0.0004885600000000, 0.0022554100000000 ] - [ -0.0014858400000000, 0.0006135700000000, -0.0003632900000000 ] - [ -0.0002624000000000, 0.0001284300000000, -0.0019718100000000 ] - [ -0.0009182700000000, -0.0001561600000000, -0.0030248200000000 ] - [ -0.0002258600000000, -0.0026217200000000, 0.0009781500000000 ] - [ -0.0003044600000000, 0.0004811700000000, -0.0001756900000000 ] - [ -0.0002705400000000, 0.0000824700000000, 0.0003215700000000 ] - [ -0.0002761000000000, -0.0003323300000000, -0.0001018800000000 ] - [ 0.0024814300000000, -0.0003969500000000, 0.0032799000000000 ] - [ -0.0009621400000000, -0.0000205700000000, -0.0011948500000000 ] - [ -0.0011106100000000, 0.0015973800000000, 0.0028309500000000 ] - [ -0.0007752500000000, -0.0006276000000000, -0.0002378800000000 ] - [ -0.0003561700000000, -0.0001918300000000, 0.0004229800000000 ] - [ -0.0004902900000000, -0.0001034700000000, 0.0005982900000000 ] - [ 0.0053039500000000, 0.0009624000000000, 0.0030057900000000 ] - [ 0.0001514300000000, -0.0003515900000000, -0.0014208500000000 ] - [ 0.0015002400000000, 0.0018905800000000, -0.0006495400000000 ] - [ -0.0006378600000000, -0.0011245400000000, -0.0005389500000000 ] - [ 0.0024482700000000, -0.0005421700000000, 0.0028436400000000 ] - [ -0.0008263300000000, 0.0002628100000000, -0.0009087400000000 ] - [ 0.0022191300000000, -0.0007231200000000, 0.0026715000000000 ] - [ -0.0010440400000000, 0.0001008200000000, -0.0006438400000000 ]- atom: 11 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ -0.0004460900000000, 0.0015391100000000, -0.0010739000000000 ] - [ -0.0007245600000000, -0.0005504700000000, 0.0000760600000000 ] - [ -0.0047812100000000, -0.0000552800000000, -0.0001764100000000 ] - [ -0.0056671100000000, -0.0000189900000000, 0.0006334300000000 ] - [ 0.0001682600000000, -0.0010503300000000, -0.0009881200000000 ] - [ -0.0004248800000000, 0.0002918600000000, -0.0001752500000000 ] - [ 0.0006220900000000, -0.0001952000000000, 0.0029753600000000 ] - [ -0.0010977200000000, 0.0000738300000000, -0.0001259300000000 ] - [ 0.0004504300000000, -0.0000457900000000, 0.0003572100000000 ] - [ -0.0000837300000000, 0.0000960200000000, -0.0005650600000000 ] - [ 0.0315631200000000, 0.0011576500000000, 0.0027732100000000 ] - [ -0.0008600600000000, -0.0000884400000000, -0.0004148900000000 ] - [ 0.0005385700000000, 0.0013593000000000, -0.0008152800000000 ] - [ -0.0003747100000000, -0.0002462400000000, -0.0001273900000000 ] - [ 0.0009877900000000, -0.0000503800000000, -0.0001055700000000 ] - [ -0.0003933000000000, -0.0000575100000000, 0.0000199500000000 ] - [ 0.0006799700000000, -0.0024145700000000, -0.0011376800000000 ] - [ -0.0005751800000000, 0.0002623100000000, 0.0000352900000000 ] - [ -0.0000098300000000, -0.0000181200000000, -0.0004059800000000 ] - [ -0.0002726300000000, -0.0000478300000000, -0.0004659400000000 ] - [ 0.0023889100000000, 0.0003247000000000, 0.0029682600000000 ] - [ -0.0017314500000000, -0.0005870300000000, -0.0009573500000000 ] - [ 0.0018571600000000, -0.0009082700000000, 0.0028978400000000 ] - [ -0.0020795200000000, 0.0010194600000000, -0.0009990300000000 ] - [ 0.0004269700000000, 0.0004201300000000, 0.0023346500000000 ] - [ -0.0004356800000000, -0.0006337100000000, -0.0008525500000000 ] - [ 0.0009721800000000, 0.0004199600000000, 0.0026014500000000 ] - [ -0.0005193300000000, -0.0000986200000000, -0.0006461000000000 ] - [ -0.0009096200000000, -0.0071031200000000, 0.0072565800000000 ] - [ -0.0022023200000000, 0.0006643600000000, -0.0009173700000000 ] - [ 0.0029066600000000, 0.0057004800000000, 0.0063497700000000 ] - [ -0.0017598900000000, -0.0006563300000000, -0.0012791400000000 ] - [ -0.0019112800000000, 0.0035499100000000, -0.0048082500000000 ] - [ 0.0003061000000000, -0.0014930100000000, -0.0027651500000000 ] - [ -0.0004647100000000, 0.0004603600000000, -0.0002210300000000 ] - [ 0.0008360800000000, 0.0005193900000000, -0.0000244700000000 ] - [ 0.0039607000000000, -0.0065413700000000, 0.0044854700000000 ] - [ -0.0010621700000000, 0.0005561700000000, -0.0010752400000000 ] - [ -0.0002436400000000, 0.0067927600000000, 0.0053596100000000 ] - [ -0.0012768200000000, -0.0010209300000000, -0.0008560500000000 ] - [ -0.0005681800000000, 0.0002934400000000, 0.0005051000000000 ] - [ 0.0029173100000000, -0.0017143400000000, 0.0011271400000000 ] - [ -0.0001742300000000, 0.0021087200000000, -0.0025130700000000 ] - [ 0.0003586900000000, -0.0000474100000000, 0.0006810800000000 ] - [ -0.0053852300000000, 0.0003107000000000, -0.0010159000000000 ] - [ 0.0009814000000000, 0.0004013800000000, 0.0004638400000000 ] - [ 0.0002144400000000, -0.0007803800000000, -0.0028246700000000 ] - [ 0.0008480900000000, 0.0000038700000000, 0.0001335700000000 ] - [ 0.0006828600000000, 0.0006890800000000, -0.0030473900000000 ] - [ 0.0011900400000000, -0.0001558400000000, 0.0003034500000000 ] - [ -0.0016509200000000, -0.0020860900000000, -0.0030358600000000 ] - [ 0.0006537300000000, 0.0000946600000000, 0.0007118100000000 ] - [ -0.0022920600000000, 0.0038205500000000, -0.0017019100000000 ] - [ 0.0008117400000000, -0.0003943500000000, 0.0004329900000000 ] - [ -0.0006182300000000, 0.0003460000000000, -0.0009208600000000 ] - [ 0.0006123100000000, 0.0007422400000000, 0.0002783800000000 ] - [ 0.0002708500000000, -0.0029220200000000, -0.0000858700000000 ] - [ 0.0004470700000000, 0.0000711200000000, 0.0003527900000000 ] - [ -0.0013774000000000, -0.0007712200000000, -0.0006869600000000 ] - [ -0.0002145300000000, -0.0003292100000000, -0.0000229200000000 ] - [ -0.0012878900000000, 0.0022329300000000, 0.0003118900000000 ] - [ 0.0004165100000000, -0.0000077700000000, 0.0005650600000000 ] - [ -0.0012097700000000, -0.0024087600000000, -0.0008134100000000 ] - [ 0.0006068500000000, 0.0002001100000000, 0.0000389900000000 ] - [ -0.0040672600000000, -0.0002014700000000, -0.0004168900000000 ] - [ 0.0007698800000000, 0.0005568700000000, 0.0006936600000000 ] - [ 0.0003710900000000, 0.0002235500000000, 0.0002779700000000 ] - [ -0.0000260500000000, -0.0000280100000000, 0.0005526800000000 ] - [ -0.0069635100000000, -0.0024545600000000, -0.0014273100000000 ] - [ 0.0009536500000000, -0.0003374600000000, 0.0001139200000000 ] - [ -0.0014594600000000, 0.0006814400000000, -0.0021511900000000 ] - [ 0.0014661400000000, 0.0005601800000000, 0.0004681600000000 ] - [ 0.0000390100000000, 0.0000965000000000, 0.0011900900000000 ] - [ 0.0006935100000000, 0.0003781100000000, 0.0022323500000000 ] - [ 0.0005428600000000, 0.0030649800000000, -0.0008909000000000 ] - [ 0.0006215400000000, -0.0000479600000000, 0.0002622600000000 ] - [ -0.0001976000000000, -0.0003446800000000, -0.0002489000000000 ] - [ -0.0001988500000000, 0.0000708200000000, 0.0001734400000000 ] - [ -0.0021470200000000, 0.0004944900000000, -0.0037169800000000 ] - [ 0.0012922000000000, 0.0001162700000000, 0.0007550000000000 ] - [ 0.0008037900000000, -0.0017372600000000, -0.0023687300000000 ] - [ 0.0004626800000000, 0.0004878500000000, 0.0007042300000000 ] - [ -0.0005483000000000, -0.0001319300000000, 0.0007058100000000 ] - [ -0.0004174800000000, -0.0002203100000000, 0.0005282900000000 ] - [ -0.0044914600000000, -0.0013110900000000, -0.0043489100000000 ] - [ 0.0007604500000000, 0.0000242200000000, 0.0002930400000000 ] - [ -0.0010301900000000, -0.0021549800000000, 0.0005751300000000 ] - [ 0.0011155100000000, 0.0008585300000000, 0.0004667600000000 ] - [ -0.0021908700000000, 0.0001601800000000, -0.0027040700000000 ] - [ 0.0010863300000000, -0.0006464200000000, 0.0010472100000000 ] - [ -0.0025483100000000, 0.0008198600000000, -0.0022317000000000 ] - [ 0.0007166900000000, -0.0000013000000000, 0.0010833000000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018124400000000, 0.0009215800000000, -0.0013926900000000 ] - [ 0.0006178500000000, -0.0000852500000000, 0.0000203300000000 ] - [ -0.0001799200000000, -0.0023903000000000, 0.0002838200000000 ] - [ -0.0001414600000000, -0.0026114500000000, 0.0002757200000000 ] - [ 0.0010773000000000, 0.0012918500000000, 0.0009547400000000 ] - [ -0.0006177800000000, 0.0002942000000000, -0.0001761800000000 ] - [ 0.0000254100000000, -0.0017088200000000, 0.0001930200000000 ] - [ -0.0001895200000000, -0.0003736300000000, 0.0002999200000000 ] - [ 0.0003967900000000, 0.0015957900000000, -0.0002823500000000 ] - [ 0.0001815700000000, 0.0004557800000000, -0.0003805400000000 ] - [ -0.0014492600000000, -0.0285662000000000, -0.0037508400000000 ] - [ 0.0000216900000000, -0.0006002800000000, -0.0000441600000000 ] - [ -0.0013928000000000, 0.0019553100000000, -0.0016630900000000 ] - [ 0.0006933200000000, 0.0002454600000000, -0.0000116500000000 ] - [ 0.0000178200000000, 0.0018752800000000, 0.0000487100000000 ] - [ 0.0000090500000000, 0.0004226600000000, 0.0000803500000000 ] - [ 0.0025172700000000, 0.0026122400000000, 0.0030764300000000 ] - [ -0.0005086400000000, -0.0002177500000000, 0.0000975100000000 ] - [ 0.0001724400000000, 0.0012629200000000, -0.0003282200000000 ] - [ 0.0001477400000000, 0.0010384400000000, -0.0003255800000000 ] - [ -0.0016892400000000, -0.0019562400000000, -0.0016207500000000 ] - [ 0.0003222200000000, -0.0004418300000000, 0.0000770500000000 ] - [ 0.0006281600000000, -0.0031691700000000, 0.0011552700000000 ] - [ -0.0000450000000000, -0.0009154100000000, -0.0005537100000000 ] - [ -0.0013248300000000, 0.0021150700000000, -0.0011809900000000 ] - [ 0.0002764500000000, 0.0001506100000000, 0.0003341200000000 ] - [ 0.0006171700000000, 0.0030323800000000, 0.0001717600000000 ] - [ 0.0002313400000000, 0.0005780000000000, -0.0000616600000000 ] - [ 0.0044871000000000, 0.0072922700000000, -0.0045086900000000 ] - [ -0.0011174700000000, 0.0000859100000000, -0.0002414500000000 ] - [ -0.0022342600000000, 0.0085838000000000, 0.0051939300000000 ] - [ 0.0003828500000000, 0.0003502000000000, 0.0001681900000000 ] - [ -0.0008202000000000, -0.0035003700000000, 0.0004269400000000 ] - [ 0.0017878900000000, -0.0025140200000000, 0.0001059800000000 ] - [ -0.0001215600000000, 0.0031984900000000, -0.0000053900000000 ] - [ 0.0012602300000000, 0.0027457800000000, 0.0000000500000000 ] - [ 0.0015251900000000, 0.0079773000000000, -0.0034867700000000 ] - [ 0.0000821500000000, -0.0000021400000000, -0.0001191700000000 ] - [ -0.0028686800000000, 0.0071958900000000, 0.0037088200000000 ] - [ 0.0008897300000000, -0.0002320800000000, 0.0002616400000000 ] - [ -0.0007907300000000, 0.0018278500000000, -0.0002121300000000 ] - [ 0.0001607600000000, 0.0004605500000000, -0.0001653000000000 ] - [ -0.0012448900000000, -0.0018109400000000, 0.0020111500000000 ] - [ 0.0000263200000000, 0.0000915800000000, 0.0003833100000000 ] - [ -0.0018041000000000, 0.0029960700000000, -0.0003774100000000 ] - [ -0.0005360800000000, -0.0001389500000000, -0.0003869700000000 ] - [ 0.0016456800000000, -0.0010176600000000, -0.0018850800000000 ] - [ -0.0001436700000000, -0.0001624700000000, -0.0004044700000000 ] - [ -0.0015240700000000, 0.0003029000000000, 0.0015046900000000 ] - [ 0.0005976500000000, 0.0003865300000000, 0.0002643200000000 ] - [ -0.0001101300000000, -0.0023006900000000, -0.0018388500000000 ] - [ -0.0002830800000000, -0.0002947300000000, -0.0002129700000000 ] - [ -0.0019632800000000, -0.0007115400000000, 0.0014307000000000 ] - [ 0.0002423600000000, 0.0004022300000000, 0.0001258900000000 ] - [ 0.0001368500000000, -0.0012040500000000, 0.0001568400000000 ] - [ -0.0000940300000000, 0.0001794300000000, -0.0000704100000000 ] - [ 0.0007639800000000, -0.0030477600000000, 0.0004486700000000 ] - [ -0.0003756800000000, -0.0003644200000000, -0.0000429300000000 ] - [ -0.0019719300000000, -0.0024025500000000, -0.0001184000000000 ] - [ -0.0008822200000000, -0.0011568600000000, -0.0001728600000000 ] - [ -0.0001554700000000, -0.0026569100000000, 0.0000881100000000 ] - [ 0.0000877300000000, -0.0000704200000000, 0.0003957400000000 ] - [ 0.0000630200000000, -0.0032732300000000, -0.0003222800000000 ] - [ -0.0000743700000000, -0.0003550600000000, -0.0002427900000000 ] - [ -0.0005135300000000, 0.0024080300000000, 0.0000308300000000 ] - [ -0.0004795700000000, 0.0003470600000000, 0.0001093000000000 ] - [ -0.0001540500000000, -0.0010506900000000, 0.0006838300000000 ] - [ -0.0000641700000000, -0.0010326300000000, 0.0008440400000000 ] - [ 0.0038634400000000, 0.0055157200000000, -0.0000624800000000 ] - [ 0.0004679800000000, 0.0003268000000000, -0.0001886300000000 ] - [ 0.0001163600000000, 0.0021765900000000, 0.0000421000000000 ] - [ -0.0001266300000000, 0.0010323400000000, 0.0001186200000000 ] - [ -0.0005133700000000, 0.0015433000000000, -0.0002565400000000 ] - [ -0.0001099000000000, 0.0017910700000000, 0.0005968900000000 ] - [ -0.0008080100000000, -0.0029951700000000, 0.0001562000000000 ] - [ 0.0005154700000000, -0.0001678100000000, 0.0001989900000000 ] - [ 0.0012403000000000, -0.0019996100000000, 0.0001874500000000 ] - [ -0.0004555600000000, -0.0010423200000000, -0.0001646600000000 ] - [ -0.0001968900000000, -0.0011140200000000, 0.0019430500000000 ] - [ 0.0002825000000000, -0.0000120100000000, -0.0001041000000000 ] - [ 0.0014544000000000, -0.0014326100000000, -0.0014527700000000 ] - [ -0.0005613100000000, -0.0001803200000000, -0.0000498600000000 ] - [ -0.0005477700000000, -0.0014375900000000, 0.0001908500000000 ] - [ -0.0005899900000000, -0.0009906200000000, 0.0002987100000000 ] - [ 0.0011974200000000, 0.0035199200000000, 0.0002459000000000 ] - [ 0.0001357200000000, 0.0007608200000000, -0.0007794900000000 ] - [ 0.0020278300000000, 0.0024536700000000, 0.0001566400000000 ] - [ -0.0001949300000000, 0.0008096900000000, -0.0002951800000000 ] - [ 0.0000994800000000, -0.0009575400000000, -0.0021585900000000 ] - [ 0.0000439900000000, -0.0001209500000000, -0.0000066300000000 ] - [ 0.0003884900000000, -0.0018523600000000, 0.0023224900000000 ] - [ -0.0001439700000000, 0.0000300900000000, 0.0002360900000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015318400000000, -0.0009793300000000, 0.0015224600000000 ] - [ -0.0009111500000000, 0.0000318100000000, 0.0001036500000000 ] - [ -0.0001522200000000, 0.0023156000000000, 0.0003421100000000 ] - [ -0.0001559200000000, 0.0025365000000000, 0.0003487700000000 ] - [ -0.0010597000000000, -0.0013559500000000, -0.0012497800000000 ] - [ 0.0006274100000000, -0.0003625700000000, -0.0001212000000000 ] - [ -0.0004062600000000, 0.0017667000000000, 0.0004632600000000 ] - [ -0.0001919600000000, 0.0004218600000000, 0.0003553500000000 ] - [ -0.0000147800000000, -0.0015482200000000, -0.0003719600000000 ] - [ 0.0001993200000000, -0.0004101500000000, -0.0002749700000000 ] - [ 0.0012326000000000, 0.0281524000000000, 0.0035635100000000 ] - [ -0.0000241100000000, 0.0004676400000000, -0.0001013500000000 ] - [ 0.0016702300000000, -0.0019973500000000, 0.0015294200000000 ] - [ -0.0004009800000000, -0.0003013100000000, -0.0001110700000000 ] - [ -0.0000146700000000, -0.0020093600000000, 0.0000981300000000 ] - [ -0.0000087200000000, -0.0005564100000000, 0.0000659400000000 ] - [ -0.0025551800000000, -0.0027005700000000, -0.0028095800000000 ] - [ 0.0005001000000000, 0.0001516300000000, 0.0002002500000000 ] - [ 0.0001419700000000, -0.0013392300000000, -0.0002991000000000 ] - [ 0.0001701400000000, -0.0011137100000000, -0.0002999200000000 ] - [ 0.0016019900000000, 0.0015095400000000, 0.0015168900000000 ] - [ -0.0004082300000000, 0.0000086600000000, -0.0001681700000000 ] - [ -0.0009845100000000, 0.0031506900000000, -0.0013296600000000 ] - [ -0.0003085400000000, 0.0009145700000000, 0.0003697400000000 ] - [ 0.0014156800000000, -0.0025476200000000, 0.0012847800000000 ] - [ -0.0001939700000000, -0.0005788400000000, -0.0002447600000000 ] - [ -0.0002615000000000, -0.0030303900000000, 0.0000062400000000 ] - [ 0.0001267000000000, -0.0005701500000000, 0.0002433400000000 ] - [ -0.0052406100000000, -0.0076209900000000, 0.0045802900000000 ] - [ 0.0003030200000000, -0.0004241600000000, 0.0002973100000000 ] - [ 0.0018899100000000, -0.0089007300000000, -0.0052716700000000 ] - [ -0.0006644200000000, -0.0006905200000000, -0.0002610000000000 ] - [ 0.0004987400000000, 0.0044639900000000, -0.0002011700000000 ] - [ -0.0021294600000000, 0.0035002100000000, 0.0000706900000000 ] - [ 0.0004525400000000, -0.0022096000000000, -0.0001795100000000 ] - [ -0.0009338500000000, -0.0017556600000000, -0.0001897100000000 ] - [ -0.0007566200000000, -0.0083331500000000, 0.0034514400000000 ] - [ 0.0007318800000000, -0.0003294500000000, 0.0000613000000000 ] - [ 0.0031910500000000, -0.0075421000000000, -0.0036151300000000 ] - [ -0.0006092700000000, -0.0001009900000000, -0.0001686200000000 ] - [ 0.0023276600000000, -0.0028587600000000, 0.0005984000000000 ] - [ 0.0013607200000000, -0.0014900200000000, 0.0005334100000000 ] - [ 0.0008964100000000, 0.0023060800000000, -0.0016294400000000 ] - [ -0.0003808800000000, 0.0004050400000000, -0.0000039600000000 ] - [ 0.0015527800000000, -0.0030654900000000, 0.0001871200000000 ] - [ 0.0004960000000000, -0.0001688900000000, 0.0001142700000000 ] - [ -0.0013305500000000, 0.0008839800000000, 0.0014274600000000 ] - [ 0.0004546400000000, 0.0000249000000000, -0.0000596500000000 ] - [ 0.0018733400000000, 0.0001997400000000, -0.0018870500000000 ] - [ -0.0002452400000000, 0.0001142200000000, -0.0006413100000000 ] - [ -0.0001573900000000, 0.0019216300000000, 0.0017040600000000 ] - [ 0.0000234600000000, -0.0000896900000000, 0.0000740000000000 ] - [ 0.0015782900000000, 0.0010321000000000, -0.0014850700000000 ] - [ -0.0005607400000000, 0.0000340400000000, -0.0002135200000000 ] - [ -0.0001193900000000, 0.0023825100000000, -0.0002632600000000 ] - [ 0.0001125100000000, 0.0009968100000000, -0.0000336500000000 ] - [ -0.0007279200000000, 0.0027365500000000, -0.0001784200000000 ] - [ 0.0004183900000000, 0.0000549400000000, 0.0003160500000000 ] - [ 0.0004407100000000, 0.0013655100000000, -0.0002563600000000 ] - [ -0.0006528400000000, 0.0001190700000000, -0.0002036300000000 ] - [ 0.0000354300000000, 0.0029784100000000, 0.0006097900000000 ] - [ -0.0002158600000000, 0.0003897800000000, 0.0003075100000000 ] - [ 0.0001523900000000, 0.0033846100000000, -0.0001220400000000 ] - [ 0.0002803400000000, 0.0004631100000000, -0.0001986900000000 ] - [ 0.0004953200000000, -0.0024915300000000, 0.0003426600000000 ] - [ 0.0002738700000000, -0.0002438700000000, 0.0003308100000000 ] - [ 0.0003820500000000, 0.0012764900000000, 0.0000867400000000 ] - [ 0.0002931400000000, 0.0012572700000000, -0.0000707300000000 ] - [ -0.0034318500000000, -0.0049371100000000, -0.0006840500000000 ] - [ -0.0003400900000000, -0.0000058200000000, -0.0005150400000000 ] - [ -0.0001343500000000, -0.0009878800000000, 0.0000606800000000 ] - [ 0.0001075400000000, 0.0001459000000000, -0.0000133200000000 ] - [ 0.0002880500000000, -0.0013196600000000, -0.0005307600000000 ] - [ -0.0001124000000000, -0.0015706100000000, -0.0013645200000000 ] - [ 0.0011218000000000, 0.0034474800000000, -0.0000723800000000 ] - [ -0.0001958800000000, 0.0006087000000000, -0.0001105200000000 ] - [ -0.0017152000000000, 0.0017406600000000, -0.0001174600000000 ] - [ -0.0000152100000000, 0.0007794700000000, 0.0002380600000000 ] - [ 0.0005101200000000, 0.0012108500000000, -0.0023703700000000 ] - [ 0.0000470400000000, 0.0001115600000000, -0.0003356100000000 ] - [ -0.0017659800000000, 0.0012893300000000, 0.0019099900000000 ] - [ 0.0002499400000000, 0.0000377200000000, 0.0005152000000000 ] - [ -0.0003602700000000, 0.0011148600000000, 0.0009348800000000 ] - [ -0.0003160000000000, 0.0006686500000000, 0.0008295100000000 ] - [ -0.0002757200000000, -0.0038264100000000, -0.0013535700000000 ] - [ 0.0007729500000000, -0.0010850000000000, -0.0003429200000000 ] - [ -0.0015500300000000, -0.0027002800000000, -0.0002292800000000 ] - [ 0.0006712800000000, -0.0010675600000000, 0.0002241500000000 ] - [ 0.0001690600000000, 0.0005759000000000, 0.0022810000000000 ] - [ 0.0002162200000000, -0.0002591200000000, 0.0001449600000000 ] - [ -0.0007138000000000, 0.0019587600000000, -0.0018963700000000 ] - [ -0.0001823200000000, 0.0000678000000000, 0.0002056800000000 ]- atom: 11 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ 0.0005930300000000, -0.0005195900000000, -0.0007443400000000 ] - [ -0.0005996400000000, 0.0001134400000000, 0.0003940100000000 ] - [ -0.0017739800000000, -0.0000902800000000, -0.0007503900000000 ] - [ -0.0030783400000000, -0.0000534800000000, -0.0006299700000000 ] - [ 0.0005574100000000, 0.0001702100000000, -0.0007272400000000 ] - [ -0.0002502700000000, -0.0001568200000000, 0.0001243200000000 ] - [ -0.0021985000000000, -0.0000731200000000, 0.0042724000000000 ] - [ 0.0001729500000000, 0.0000363300000000, 0.0002744400000000 ] - [ 0.0000675300000000, 0.0000784200000000, 0.0001855900000000 ] - [ 0.0001989300000000, -0.0000126100000000, -0.0004104300000000 ] - [ 0.0110469700000000, -0.0027985100000000, -0.0161238800000000 ] - [ -0.0000512400000000, -0.0000510700000000, 0.0001880800000000 ] - [ 0.0008290300000000, -0.0006881300000000, -0.0008687900000000 ] - [ -0.0000180500000000, 0.0000464200000000, 0.0001412700000000 ] - [ 0.0005790800000000, -0.0000404900000000, -0.0002143900000000 ] - [ -0.0001174700000000, -0.0000717100000000, 0.0001009500000000 ] - [ 0.0014334800000000, 0.0016131000000000, -0.0007074700000000 ] - [ -0.0002414500000000, -0.0001472000000000, 0.0003402700000000 ] - [ -0.0000948400000000, -0.0000538300000000, -0.0004777200000000 ] - [ -0.0000514500000000, -0.0000077100000000, -0.0003700800000000 ] - [ -0.0017399700000000, -0.0013746800000000, 0.0031064600000000 ] - [ 0.0008059800000000, 0.0000096900000000, -0.0002511600000000 ] - [ -0.0030596000000000, 0.0018305800000000, 0.0041741600000000 ] - [ 0.0009257900000000, -0.0010232200000000, -0.0005176400000000 ] - [ 0.0001761400000000, -0.0005381400000000, 0.0026300700000000 ] - [ 0.0001130000000000, -0.0000472000000000, -0.0000616800000000 ] - [ 0.0000171800000000, 0.0005458300000000, 0.0023838700000000 ] - [ 0.0002427200000000, -0.0000080200000000, -0.0001071800000000 ] - [ -0.0038874300000000, -0.0047913300000000, 0.0031709900000000 ] - [ -0.0003510100000000, -0.0002901600000000, -0.0006158600000000 ] - [ -0.0017132200000000, 0.0057684000000000, 0.0037527200000000 ] - [ 0.0000282000000000, -0.0003953900000000, -0.0002044900000000 ] - [ 0.0017418000000000, -0.0012144300000000, 0.0081200500000000 ] - [ 0.0038511400000000, 0.0004645800000000, 0.0022805000000000 ] - [ 0.0002687000000000, 0.0002752800000000, -0.0000319900000000 ] - [ 0.0001721300000000, 0.0006990000000000, 0.0000207600000000 ] - [ 0.0005955700000000, -0.0064209100000000, 0.0025060700000000 ] - [ 0.0003727600000000, 0.0000390900000000, -0.0002569500000000 ] - [ -0.0020410600000000, 0.0051372800000000, 0.0035920200000000 ] - [ 0.0002146200000000, -0.0001361800000000, -0.0006296800000000 ] - [ -0.0006221000000000, -0.0014666700000000, -0.0030487800000000 ] - [ -0.0010942700000000, 0.0004646900000000, -0.0010464500000000 ] - [ 0.0005470100000000, 0.0015501200000000, -0.0019963900000000 ] - [ -0.0002401900000000, 0.0002257600000000, 0.0004018900000000 ] - [ -0.0022582500000000, 0.0000317300000000, 0.0015190600000000 ] - [ 0.0001792800000000, -0.0000615500000000, -0.0000853900000000 ] - [ 0.0014800700000000, 0.0000558600000000, -0.0024615300000000 ] - [ -0.0000782900000000, -0.0001489100000000, 0.0000630300000000 ] - [ 0.0013285400000000, -0.0002968500000000, -0.0023146400000000 ] - [ -0.0001191100000000, 0.0005912300000000, 0.0003608600000000 ] - [ -0.0000900000000000, -0.0019511100000000, -0.0018952000000000 ] - [ -0.0001833800000000, -0.0001226300000000, 0.0000857000000000 ] - [ -0.0000912300000000, 0.0031996200000000, 0.0010095900000000 ] - [ 0.0000430800000000, 0.0001317900000000, 0.0000910000000000 ] - [ 0.0003086000000000, 0.0006693400000000, -0.0010191400000000 ] - [ -0.0000489600000000, 0.0005278000000000, 0.0000188500000000 ] - [ 0.0003776900000000, -0.0023020200000000, 0.0001811100000000 ] - [ 0.0002092300000000, -0.0001861400000000, 0.0003541300000000 ] - [ -0.0008174400000000, -0.0006309300000000, -0.0005734600000000 ] - [ -0.0008172500000000, -0.0004978500000000, -0.0001666800000000 ] - [ -0.0007567700000000, 0.0019888200000000, 0.0009089500000000 ] - [ 0.0000489400000000, 0.0001210100000000, 0.0003708600000000 ] - [ -0.0003749200000000, -0.0018316200000000, -0.0002809300000000 ] - [ 0.0001538400000000, 0.0001268100000000, -0.0002208800000000 ] - [ -0.0016214500000000, -0.0001533300000000, 0.0020093200000000 ] - [ 0.0000615000000000, 0.0000986600000000, 0.0003646300000000 ] - [ 0.0001791400000000, 0.0001536200000000, 0.0002271300000000 ] - [ 0.0000754500000000, 0.0001324500000000, 0.0005349800000000 ] - [ -0.0026381200000000, -0.0009358500000000, 0.0010906700000000 ] - [ 0.0003078100000000, 0.0001008400000000, -0.0002325300000000 ] - [ 0.0024125300000000, 0.0007710200000000, -0.0027576900000000 ] - [ -0.0006868300000000, 0.0006903200000000, 0.0001723500000000 ] - [ 0.0007324200000000, -0.0002672300000000, -0.0029304600000000 ] - [ -0.0014626000000000, 0.0002882000000000, -0.0006046900000000 ] - [ 0.0006606200000000, 0.0016115300000000, -0.0002940500000000 ] - [ 0.0003067900000000, 0.0002664300000000, 0.0002179600000000 ] - [ -0.0004147800000000, 0.0000832100000000, -0.0003190900000000 ] - [ -0.0002119700000000, -0.0003560900000000, -0.0000112400000000 ] - [ 0.0007540700000000, 0.0008244900000000, -0.0017790700000000 ] - [ 0.0000023400000000, 0.0000347200000000, -0.0001422000000000 ] - [ 0.0009396000000000, -0.0008870400000000, -0.0018399800000000 ] - [ -0.0004375400000000, -0.0002470100000000, 0.0005597400000000 ] - [ -0.0006346600000000, -0.0001974700000000, 0.0006152600000000 ] - [ -0.0003735400000000, -0.0001959000000000, 0.0004653300000000 ] - [ 0.0016107400000000, 0.0009081800000000, 0.0036154800000000 ] - [ -0.0000460400000000, 0.0002031100000000, -0.0015651000000000 ] - [ 0.0009159500000000, 0.0011723500000000, -0.0015371800000000 ] - [ -0.0008674900000000, -0.0008241900000000, -0.0001571400000000 ] - [ 0.0006185600000000, -0.0011522600000000, -0.0016950500000000 ] - [ -0.0000858000000000, 0.0001057200000000, 0.0000051700000000 ] - [ -0.0007661400000000, 0.0018407700000000, -0.0016361200000000 ] - [ -0.0001512700000000, -0.0000809800000000, 0.0003103100000000 ]- atom: 11 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ -0.0008892200000000, 0.0004679000000000, 0.0008608900000000 ] - [ 0.0003071500000000, -0.0001702900000000, -0.0002714200000000 ] - [ 0.0014484900000000, 0.0000139300000000, 0.0013860600000000 ] - [ 0.0027568100000000, -0.0000233500000000, 0.0012404100000000 ] - [ -0.0005469200000000, -0.0002403400000000, 0.0004230600000000 ] - [ 0.0002600600000000, 0.0000899500000000, -0.0004241800000000 ] - [ 0.0018096900000000, 0.0000940900000000, -0.0036174400000000 ] - [ -0.0005531500000000, 0.0000088800000000, 0.0003805300000000 ] - [ 0.0003130200000000, -0.0000296100000000, -0.0008405900000000 ] - [ 0.0001824600000000, 0.0000585400000000, -0.0002450600000000 ] - [ -0.0108566300000000, 0.0026904800000000, 0.0161534200000000 ] - [ 0.0000525800000000, -0.0000828400000000, -0.0003259400000000 ] - [ -0.0005349500000000, 0.0006290200000000, 0.0007523700000000 ] - [ 0.0003117600000000, -0.0000990500000000, -0.0002630900000000 ] - [ -0.0005781200000000, -0.0000939300000000, 0.0003557900000000 ] - [ 0.0001191400000000, -0.0000622900000000, 0.0000433000000000 ] - [ -0.0014419700000000, -0.0016729000000000, 0.0010164800000000 ] - [ 0.0002319800000000, 0.0000764900000000, -0.0000426000000000 ] - [ 0.0004129000000000, -0.0000219500000000, -0.0001493100000000 ] - [ 0.0003673000000000, -0.0000680500000000, -0.0002570500000000 ] - [ 0.0016307500000000, 0.0009847600000000, -0.0032070600000000 ] - [ -0.0008851400000000, -0.0004384500000000, 0.0001595400000000 ] - [ 0.0027233400000000, -0.0017835900000000, -0.0043331300000000 ] - [ -0.0012813600000000, 0.0010276400000000, 0.0003353700000000 ] - [ -0.0000907400000000, 0.0001048600000000, -0.0025358600000000 ] - [ -0.0000278200000000, -0.0003837100000000, 0.0001527700000000 ] - [ 0.0003393200000000, -0.0005415900000000, -0.0022048300000000 ] - [ 0.0001155900000000, 0.0000135700000000, 0.0002881900000000 ] - [ 0.0030807800000000, 0.0044591500000000, -0.0030520500000000 ] - [ -0.0004594100000000, -0.0000445900000000, 0.0006730100000000 ] - [ 0.0014094900000000, -0.0060977500000000, -0.0038958200000000 ] - [ -0.0003103700000000, 0.0000568300000000, 0.0001099400000000 ] - [ -0.0021085300000000, 0.0021819500000000, -0.0079212200000000 ] - [ -0.0041295700000000, 0.0005146400000000, -0.0020939300000000 ] - [ 0.0000602000000000, 0.0007142900000000, -0.0001569600000000 ] - [ 0.0001576100000000, 0.0002913300000000, -0.0002069800000000 ] - [ 0.0002069700000000, 0.0060832100000000, -0.0025783600000000 ] - [ 0.0004409200000000, -0.0003753300000000, 0.0001997500000000 ] - [ 0.0023325200000000, -0.0054770500000000, -0.0034759700000000 ] - [ 0.0000700900000000, -0.0002034600000000, 0.0007218000000000 ] - [ 0.0021218100000000, 0.0004201700000000, 0.0034050300000000 ] - [ 0.0026233200000000, -0.0014983500000000, 0.0014151500000000 ] - [ -0.0009013100000000, -0.0010561600000000, 0.0023819600000000 ] - [ -0.0001142300000000, 0.0002716800000000, -0.0000235200000000 ] - [ 0.0021278200000000, -0.0002272000000000, -0.0017605500000000 ] - [ -0.0002187500000000, -0.0002490200000000, -0.0001887500000000 ] - [ -0.0011688400000000, -0.0002018900000000, 0.0020155700000000 ] - [ 0.0003887000000000, 0.0000080800000000, -0.0005259200000000 ] - [ -0.0009694700000000, 0.0007827100000000, 0.0019101000000000 ] - [ 0.0004702900000000, -0.0000936000000000, -0.0007405000000000 ] - [ -0.0001750000000000, 0.0015701900000000, 0.0017514900000000 ] - [ -0.0000782300000000, -0.0002607500000000, -0.0002238200000000 ] - [ -0.0002815800000000, -0.0028200000000000, -0.0010560000000000 ] - [ -0.0003603300000000, 0.0003070700000000, -0.0001797200000000 ] - [ -0.0002897700000000, 0.0005070800000000, 0.0009139700000000 ] - [ 0.0000661000000000, 0.0006488800000000, -0.0001236600000000 ] - [ -0.0003374800000000, 0.0019906600000000, 0.0000878300000000 ] - [ -0.0001686200000000, -0.0001233500000000, -0.0000809900000000 ] - [ -0.0007163600000000, -0.0004097700000000, 0.0001977300000000 ] - [ -0.0007168900000000, -0.0005416200000000, -0.0002094000000000 ] - [ 0.0006282200000000, -0.0016689300000000, -0.0002044100000000 ] - [ -0.0001767400000000, 0.0001975800000000, 0.0003314400000000 ] - [ 0.0005833100000000, 0.0019403300000000, -0.0001542600000000 ] - [ 0.0000515700000000, -0.0000223300000000, -0.0002201500000000 ] - [ 0.0015062800000000, 0.0001627300000000, -0.0015991600000000 ] - [ -0.0002684500000000, 0.0000081600000000, 0.0000765500000000 ] - [ 0.0000499400000000, 0.0000685600000000, 0.0005446200000000 ] - [ 0.0001529000000000, 0.0000901200000000, 0.0002363000000000 ] - [ 0.0028218900000000, 0.0013199500000000, -0.0017935200000000 ] - [ -0.0001809900000000, 0.0002163200000000, -0.0004702100000000 ] - [ -0.0024295700000000, 0.0003688500000000, 0.0028680900000000 ] - [ 0.0006660800000000, 0.0004855800000000, -0.0000675600000000 ] - [ -0.0009476200000000, 0.0004921000000000, 0.0021448600000000 ] - [ 0.0012275500000000, -0.0000609500000000, -0.0001562800000000 ] - [ -0.0003413200000000, -0.0011618600000000, 0.0003727800000000 ] - [ 0.0000098700000000, 0.0001703800000000, -0.0001308300000000 ] - [ -0.0000574800000000, -0.0003453300000000, 0.0003904900000000 ] - [ -0.0002612600000000, 0.0000924500000000, 0.0000823100000000 ] - [ -0.0004311900000000, -0.0007376700000000, 0.0013221500000000 ] - [ 0.0003243700000000, 0.0000618300000000, -0.0002995300000000 ] - [ -0.0012443600000000, 0.0007467500000000, 0.0022923600000000 ] - [ 0.0001243700000000, 0.0001056200000000, -0.0000952600000000 ] - [ -0.0002720400000000, -0.0001268400000000, 0.0005120500000000 ] - [ -0.0005334700000000, -0.0001289100000000, 0.0006597800000000 ] - [ -0.0008494100000000, -0.0012600600000000, -0.0049353500000000 ] - [ 0.0009432700000000, -0.0005228300000000, 0.0004345700000000 ] - [ -0.0004313000000000, -0.0014312200000000, 0.0014649700000000 ] - [ 0.0013292800000000, 0.0005551900000000, 0.0000870800000000 ] - [ -0.0003553100000000, 0.0007505100000000, 0.0018454000000000 ] - [ 0.0003468500000000, -0.0004888300000000, 0.0001328000000000 ] - [ 0.0004414700000000, -0.0017334200000000, 0.0020784400000000 ] - [ -0.0001749200000000, 0.0001799700000000, 0.0001296300000000 ]- atom: 21 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ 0.0002839700000000, -0.0004555700000000, 0.0000789300000000 ] - [ -0.0003451900000000, 0.0017986700000000, 0.0007865400000000 ] - [ 0.0014276500000000, -0.0009717800000000, 0.0016124100000000 ] - [ -0.0022082200000000, -0.0002746900000000, -0.0000148100000000 ] - [ 0.0022457400000000, 0.0008501100000000, 0.0003824300000000 ] - [ 0.0011152400000000, -0.0064701500000000, 0.0074215300000000 ] - [ -0.0043674600000000, -0.0046540000000000, -0.0005890400000000 ] - [ 0.0021242700000000, 0.0007471500000000, 0.0007430700000000 ] - [ 0.0013748000000000, 0.0049123200000000, -0.0000548200000000 ] - [ 0.0011442100000000, -0.0009622500000000, -0.0002067100000000 ] - [ -0.0024230700000000, -0.0017047500000000, -0.0030641400000000 ] - [ 0.0016825600000000, 0.0002980900000000, 0.0016471800000000 ] - [ 0.0006876400000000, -0.0054504800000000, -0.0100540100000000 ] - [ 0.0027927200000000, 0.0005353900000000, 0.0011823100000000 ] - [ -0.0003882500000000, 0.0012951000000000, 0.0000416900000000 ] - [ 0.0004804600000000, -0.0003019000000000, 0.0003763400000000 ] - [ -0.0007902300000000, 0.0019851100000000, -0.0010466900000000 ] - [ 0.0007690300000000, -0.0004332200000000, 0.0007259500000000 ] - [ -0.0008671800000000, 0.0004891600000000, -0.0013225100000000 ] - [ 0.0012337800000000, 0.0005245900000000, 0.0003236000000000 ] - [ -0.3842783000000000, 0.0388313800000000, 0.0046469100000000 ] - [ 0.0062769100000000, -0.0001618400000000, 0.0012620600000000 ] - [ 0.0553620200000000, -0.0084558800000000, -0.0017389400000000 ] - [ 0.0111304800000000, -0.0057640800000000, -0.0002480600000000 ] - [ 0.0001702000000000, -0.0005611700000000, -0.0005440300000000 ] - [ 0.0006160000000000, 0.0010134800000000, 0.0006356100000000 ] - [ -0.0016966600000000, 0.0003880800000000, -0.0006523500000000 ] - [ 0.0019804100000000, 0.0009642100000000, 0.0006800100000000 ] - [ 0.0068036000000000, 0.0118909600000000, 0.0264235100000000 ] - [ 0.0038146500000000, -0.0044717000000000, -0.0013400100000000 ] - [ 0.0019976300000000, 0.0129262000000000, -0.0303932300000000 ] - [ 0.0065241100000000, -0.0011173000000000, 0.0052510300000000 ] - [ 0.0254432400000000, 0.0653881700000000, -0.0038540100000000 ] - [ 0.0110928800000000, -0.0009692700000000, 0.0023484400000000 ] - [ 0.0031566100000000, 0.0022365200000000, 0.0006378600000000 ] - [ -0.0041164700000000, -0.0010423200000000, -0.0000588800000000 ] - [ -0.0022292700000000, 0.0003160700000000, -0.0012372100000000 ] - [ 0.0029137400000000, 0.0001427700000000, 0.0014745200000000 ] - [ -0.0015866200000000, -0.0017161700000000, -0.0007391300000000 ] - [ 0.0020119300000000, 0.0017131400000000, 0.0004728400000000 ] - [ -0.0101019900000000, 0.0039890800000000, 0.0002715400000000 ] - [ -0.0153897900000000, -0.0049135400000000, -0.0006714100000000 ] - [ 0.0012369700000000, -0.0003652500000000, 0.0006050600000000 ] - [ -0.0012971600000000, 0.0001340300000000, -0.0000267900000000 ] - [ 0.0023729500000000, 0.0014059500000000, 0.0076539600000000 ] - [ -0.0025555100000000, -0.0007776000000000, -0.0026239300000000 ] - [ 0.0450126200000000, -0.0061149600000000, 0.0042086700000000 ] - [ -0.0030590900000000, 0.0003039300000000, -0.0007056800000000 ] - [ -0.0054911700000000, -0.0057710300000000, -0.0089342900000000 ] - [ -0.0043052500000000, 0.0026584700000000, 0.0026851600000000 ] - [ 0.0014898000000000, -0.0000418500000000, 0.0007383000000000 ] - [ -0.0014264800000000, -0.0008791700000000, -0.0010418900000000 ] - [ 0.0013814800000000, -0.0000092600000000, 0.0016690800000000 ] - [ -0.0013148700000000, 0.0003651000000000, -0.0007948000000000 ] - [ 0.0009977900000000, -0.0000688700000000, 0.0001903200000000 ] - [ -0.0011930500000000, 0.0002088900000000, -0.0002968600000000 ] - [ 0.0000621000000000, -0.0000978600000000, 0.0001950100000000 ] - [ -0.0000810600000000, -0.0007712300000000, 0.0002005200000000 ] - [ 0.0020620700000000, -0.0004682300000000, 0.0002222900000000 ] - [ -0.0030929000000000, -0.0014820000000000, -0.0005494400000000 ] - [ 0.0006449400000000, -0.0003033900000000, 0.0008703000000000 ] - [ -0.0007634400000000, -0.0000690700000000, -0.0002784800000000 ] - [ 0.0024949000000000, -0.0015530800000000, 0.0005896300000000 ] - [ -0.0014775400000000, 0.0007866900000000, -0.0017674900000000 ] - [ 0.0007026400000000, 0.0013891600000000, 0.0001683100000000 ] - [ -0.0008162000000000, -0.0010435700000000, -0.0005844700000000 ] - [ -0.0013864700000000, -0.0011449400000000, 0.0002525000000000 ] - [ 0.0010256000000000, 0.0021841900000000, 0.0009283700000000 ] - [ -0.0001542900000000, 0.0007773000000000, -0.0038600600000000 ] - [ -0.0007203500000000, 0.0012112300000000, -0.0017629400000000 ] - [ 0.1124597800000000, -0.0607188600000000, -0.0045978200000000 ] - [ -0.0061082500000000, 0.0017408500000000, -0.0002978400000000 ] - [ 0.0044432600000000, -0.0167920400000000, -0.0070365500000000 ] - [ -0.0030785900000000, 0.0013808300000000, -0.0001188400000000 ] - [ 0.0005386100000000, -0.0020771800000000, -0.0005448300000000 ] - [ 0.0002710600000000, 0.0019866300000000, 0.0008583900000000 ] - [ -0.0007127700000000, -0.0004874100000000, -0.0000307400000000 ] - [ 0.0004098400000000, -0.0006876700000000, -0.0000365700000000 ] - [ 0.0427097200000000, -0.0056171600000000, -0.0043900800000000 ] - [ -0.0032158800000000, 0.0007459600000000, -0.0017443700000000 ] - [ 0.0001021200000000, 0.0007954500000000, 0.0000919900000000 ] - [ -0.0011156300000000, -0.0013278200000000, 0.0002995700000000 ] - [ -0.0014980300000000, -0.0012384200000000, -0.0002031200000000 ] - [ 0.0007400300000000, 0.0008085500000000, 0.0005486700000000 ] - [ 0.0004284600000000, -0.0154041400000000, 0.0111040800000000 ] - [ -0.0024238900000000, 0.0008557300000000, -0.0027124300000000 ] - [ 0.1145074700000000, 0.0103904300000000, 0.0040034200000000 ] - [ -0.0053661800000000, -0.0018426200000000, -0.0006151900000000 ] - [ -0.0031236400000000, -0.0074201600000000, 0.0092285400000000 ] - [ -0.0054139300000000, 0.0023115500000000, -0.0038931800000000 ] - [ 0.0009382000000000, 0.0004265200000000, 0.0014210100000000 ] - [ -0.0017086000000000, -0.0006763200000000, -0.0008807900000000 ]- atom: 21 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ -0.0005789500000000, 0.0003993300000000, 0.0000429000000000 ] - [ 0.0000514000000000, -0.0018721500000000, -0.0006698800000000 ] - [ -0.0017557000000000, 0.0009016500000000, -0.0009891600000000 ] - [ 0.0019018400000000, 0.0002087500000000, 0.0006424300000000 ] - [ -0.0022382000000000, -0.0009180700000000, -0.0006958600000000 ] - [ -0.0011049900000000, 0.0064580600000000, -0.0077968800000000 ] - [ 0.0040085300000000, 0.0046876100000000, 0.0012481600000000 ] - [ -0.0025081600000000, -0.0007023200000000, -0.0000890300000000 ] - [ -0.0010195900000000, -0.0048567900000000, -0.0005975000000000 ] - [ -0.0007676200000000, 0.0010147300000000, -0.0004492600000000 ] - [ 0.0024358400000000, 0.0015892900000000, 0.0029247000000000 ] - [ -0.0016888000000000, -0.0004329400000000, -0.0017932200000000 ] - [ -0.0003922300000000, 0.0054453500000000, 0.0100274500000000 ] - [ -0.0025057800000000, -0.0005876100000000, -0.0013055300000000 ] - [ 0.0003910200000000, -0.0014460400000000, 0.0001031200000000 ] - [ -0.0004801200000000, 0.0001685200000000, -0.0002308000000000 ] - [ 0.0007856400000000, -0.0020704200000000, 0.0013523400000000 ] - [ -0.0007816100000000, 0.0003642300000000, -0.0004296200000000 ] - [ 0.0011955700000000, -0.0005745300000000, 0.0007068700000000 ] - [ -0.0009273200000000, -0.0006064200000000, -0.0009526200000000 ] - [ 0.3905797300000000, -0.0292317900000000, -0.0040022800000000 ] - [ -0.0063779200000000, -0.0002680300000000, -0.0013587100000000 ] - [ -0.0550679500000000, 0.0082044200000000, 0.0015494800000000 ] - [ -0.0115115500000000, 0.0057551200000000, 0.0000636300000000 ] - [ -0.0000899500000000, 0.0001240800000000, 0.0006371800000000 ] - [ -0.0005330900000000, -0.0014529800000000, -0.0005485900000000 ] - [ 0.0020573600000000, -0.0004003000000000, 0.0008389900000000 ] - [ -0.0016298700000000, -0.0009632600000000, -0.0005019100000000 ] - [ -0.0079571200000000, -0.0121323700000000, -0.0262259700000000 ] - [ -0.0046443700000000, 0.0041645600000000, 0.0014116300000000 ] - [ -0.0026316300000000, -0.0131441500000000, 0.0301889400000000 ] - [ -0.0068414700000000, 0.0007896600000000, -0.0053722000000000 ] - [ -0.0262892300000000, -0.0646823000000000, 0.0040558000000000 ] - [ -0.0114181600000000, 0.0019558900000000, -0.0021695200000000 ] - [ -0.0028419100000000, -0.0012545800000000, -0.0008338300000000 ] - [ 0.0044898200000000, 0.0020297200000000, -0.0001287700000000 ] - [ 0.0030572100000000, -0.0006716900000000, 0.0011842100000000 ] - [ -0.0021107700000000, -0.0004816600000000, -0.0015382600000000 ] - [ 0.0018763700000000, 0.0013708400000000, 0.0008398600000000 ] - [ -0.0017372700000000, -0.0020654000000000, -0.0003837300000000 ] - [ 0.0117084400000000, -0.0050383600000000, 0.0000985800000000 ] - [ 0.0168330600000000, 0.0037688000000000, 0.0010280300000000 ] - [ -0.0015967500000000, 0.0008714500000000, -0.0002317400000000 ] - [ 0.0009481400000000, 0.0003623000000000, 0.0004062000000000 ] - [ -0.0023723100000000, -0.0017832700000000, -0.0079862500000000 ] - [ 0.0025263400000000, 0.0004670400000000, 0.0023564000000000 ] - [ -0.0446689300000000, 0.0056198900000000, -0.0043437600000000 ] - [ 0.0033845100000000, -0.0004449900000000, 0.0002456700000000 ] - [ 0.0059367400000000, 0.0062265000000000, 0.0084964000000000 ] - [ 0.0046855800000000, -0.0021719100000000, -0.0030794300000000 ] - [ -0.0017599700000000, -0.0003356800000000, -0.0008801100000000 ] - [ 0.0011701300000000, 0.0004994900000000, 0.0009086400000000 ] - [ -0.0017085900000000, 0.0004576900000000, -0.0017650600000000 ] - [ 0.0010024700000000, 0.0000739400000000, 0.0007081200000000 ] - [ -0.0009808800000000, 0.0012561600000000, -0.0002963900000000 ] - [ 0.0012145200000000, 0.0009718400000000, 0.0001931500000000 ] - [ -0.0000220500000000, -0.0002015400000000, 0.0000735600000000 ] - [ 0.0001211700000000, 0.0004656500000000, 0.0000734200000000 ] - [ -0.0036142100000000, -0.0005593800000000, -0.0006029000000000 ] - [ 0.0015709900000000, 0.0004468300000000, 0.0001749900000000 ] - [ -0.0007778500000000, 0.0006312200000000, -0.0001686500000000 ] - [ 0.0006390600000000, 0.0003872300000000, 0.0009831500000000 ] - [ -0.0021989600000000, 0.0016992100000000, -0.0010939500000000 ] - [ 0.0016922800000000, -0.0006807800000000, 0.0013327800000000 ] - [ -0.0009126200000000, -0.0012805500000000, 0.0002718200000000 ] - [ 0.0006134100000000, 0.0011634100000000, 0.0010335500000000 ] - [ 0.0016232000000000, 0.0013686500000000, 0.0005200900000000 ] - [ -0.0008082700000000, -0.0019772200000000, -0.0001604800000000 ] - [ 0.0003408500000000, -0.0005155000000000, 0.0032113600000000 ] - [ 0.0008480600000000, -0.0009038100000000, 0.0010686800000000 ] - [ -0.1084793600000000, 0.0565233700000000, 0.0042885300000000 ] - [ 0.0061041100000000, -0.0005608000000000, 0.0004053100000000 ] - [ -0.0046478500000000, 0.0171461000000000, 0.0063036100000000 ] - [ 0.0028586100000000, -0.0011636300000000, -0.0006534600000000 ] - [ -0.0001129500000000, 0.0025617100000000, 0.0006812100000000 ] - [ 0.0000396300000000, -0.0015583400000000, -0.0007775400000000 ] - [ 0.0002424300000000, 0.0002275200000000, 0.0001039800000000 ] - [ -0.0008917400000000, 0.0004324000000000, 0.0001086700000000 ] - [ -0.0423251900000000, 0.0054203000000000, 0.0036072800000000 ] - [ 0.0035552600000000, -0.0006524600000000, 0.0013082600000000 ] - [ -0.0004123400000000, -0.0009318800000000, 0.0003719300000000 ] - [ 0.0008084900000000, 0.0011958000000000, 0.0001662200000000 ] - [ 0.0005959700000000, 0.0009177700000000, 0.0013365900000000 ] - [ -0.0016603800000000, -0.0011388400000000, 0.0005742000000000 ] - [ 0.0005145800000000, 0.0151755700000000, -0.0122917600000000 ] - [ 0.0033370200000000, -0.0011823700000000, 0.0015956100000000 ] - [ -0.1245318700000000, -0.0144137000000000, -0.0043674300000000 ] - [ 0.0058550100000000, 0.0015862900000000, 0.0005481300000000 ] - [ 0.0034809300000000, 0.0070026500000000, -0.0090305700000000 ] - [ 0.0057118900000000, -0.0027032400000000, 0.0040514800000000 ] - [ -0.0012695800000000, -0.0003237200000000, -0.0009862000000000 ] - [ 0.0013907700000000, 0.0007792000000000, 0.0013255300000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002216700000000, 0.0006047100000000, 0.0000391000000000 ] - [ 0.0001432300000000, 0.0019947000000000, 0.0005090200000000 ] - [ 0.0001885000000000, -0.0009219100000000, 0.0000082000000000 ] - [ -0.0002206200000000, -0.0009372100000000, 0.0021110600000000 ] - [ 0.0008821300000000, -0.0004898600000000, 0.0013826300000000 ] - [ -0.0058526800000000, -0.0032362200000000, -0.0014300600000000 ] - [ -0.0022936400000000, 0.0081499300000000, 0.0010159700000000 ] - [ 0.0002293900000000, 0.0004866000000000, 0.0004187500000000 ] - [ 0.0062479300000000, 0.0046001500000000, 0.0007252600000000 ] - [ -0.0003511400000000, -0.0004781100000000, -0.0005658200000000 ] - [ -0.0005378200000000, -0.0017957500000000, -0.0016237000000000 ] - [ 0.0003703300000000, -0.0002897200000000, 0.0003507800000000 ] - [ -0.0049461000000000, -0.0033717800000000, -0.0006092300000000 ] - [ 0.0007813300000000, -0.0006455700000000, -0.0001498300000000 ] - [ 0.0006366400000000, 0.0022565300000000, 0.0007274300000000 ] - [ -0.0004173200000000, 0.0002954200000000, -0.0003097400000000 ] - [ 0.0000897200000000, 0.0020025700000000, -0.0002079200000000 ] - [ -0.0000069000000000, 0.0005060000000000, 0.0001381200000000 ] - [ -0.0007548300000000, 0.0018633800000000, -0.0012431900000000 ] - [ 0.0009694100000000, 0.0008868000000000, 0.0000373800000000 ] - [ 0.0311346700000000, -0.3067774500000000, -0.0011133600000000 ] - [ 0.0000166400000000, -0.0017741800000000, 0.0000555700000000 ] - [ -0.0373521600000000, -0.0258538500000000, -0.0010255900000000 ] - [ 0.0044470800000000, -0.0039612600000000, -0.0007443800000000 ] - [ 0.0003907100000000, 0.0024358000000000, -0.0000584700000000 ] - [ -0.0011956700000000, 0.0019417400000000, 0.0001228400000000 ] - [ 0.0015787500000000, 0.0052590900000000, -0.0001873900000000 ] - [ 0.0002480500000000, 0.0012564300000000, 0.0001245800000000 ] - [ 0.0328790700000000, -0.0158395200000000, 0.0089078200000000 ] - [ -0.0006171100000000, -0.0042484300000000, -0.0028199900000000 ] - [ 0.0379396600000000, -0.0224558900000000, -0.0165751600000000 ] - [ 0.0014695100000000, -0.0018253100000000, 0.0018944600000000 ] - [ 0.0311616600000000, 0.0269794300000000, -0.0014068100000000 ] - [ -0.0061413300000000, -0.0002453900000000, -0.0008125800000000 ] - [ 0.0012939400000000, 0.0025640100000000, 0.0006687800000000 ] - [ -0.0033086200000000, 0.0066279200000000, -0.0002532700000000 ] - [ -0.0000937800000000, 0.0047994300000000, -0.0001730900000000 ] - [ 0.0007742000000000, 0.0012369100000000, 0.0001432600000000 ] - [ -0.0002271600000000, 0.0034769700000000, -0.0001977800000000 ] - [ 0.0004397700000000, 0.0021738900000000, 0.0001440300000000 ] - [ 0.0123241400000000, -0.0017018900000000, 0.0000178100000000 ] - [ -0.0059190200000000, -0.0001460900000000, -0.0001551100000000 ] - [ -0.0003127100000000, -0.0021775900000000, 0.0011627000000000 ] - [ -0.0003501300000000, -0.0003777400000000, 0.0004473100000000 ] - [ -0.0047665500000000, 0.0122689200000000, 0.0052160400000000 ] - [ -0.0007451500000000, 0.0004001300000000, -0.0005477400000000 ] - [ -0.0092019100000000, 0.0695660400000000, -0.0232372700000000 ] - [ -0.0005162600000000, 0.0007836700000000, -0.0008845800000000 ] - [ -0.0016634800000000, 0.0141334300000000, 0.0109592200000000 ] - [ -0.0013106300000000, 0.0024648800000000, 0.0020949600000000 ] - [ -0.0000462400000000, -0.0027224500000000, -0.0006322800000000 ] - [ -0.0002906300000000, -0.0010933200000000, -0.0005069700000000 ] - [ 0.0005222600000000, -0.0026579100000000, -0.0001198000000000 ] - [ -0.0002062900000000, -0.0004744800000000, 0.0000088900000000 ] - [ -0.0008176900000000, -0.0019859300000000, -0.0000861000000000 ] - [ 0.0003433600000000, -0.0003460200000000, -0.0000479200000000 ] - [ 0.0000355300000000, -0.0020201500000000, 0.0004952000000000 ] - [ 0.0001747300000000, -0.0014659200000000, 0.0004937900000000 ] - [ -0.0006237400000000, -0.0044559200000000, 0.0000951000000000 ] - [ -0.0016750000000000, -0.0013389300000000, -0.0003457700000000 ] - [ 0.0001617000000000, -0.0023785400000000, -0.0001482200000000 ] - [ -0.0000887000000000, -0.0005408700000000, 0.0001208500000000 ] - [ -0.0072115400000000, -0.0022385500000000, 0.0051938500000000 ] - [ -0.0001561800000000, 0.0009411500000000, -0.0008801300000000 ] - [ 0.0004970700000000, -0.0017125000000000, 0.0007775900000000 ] - [ -0.0002803400000000, -0.0011492700000000, -0.0004346500000000 ] - [ -0.0008391800000000, -0.0004530700000000, 0.0003696300000000 ] - [ 0.0019379900000000, -0.0016360300000000, 0.0009532200000000 ] - [ -0.0059825600000000, 0.0087407400000000, -0.0062729000000000 ] - [ 0.0003978400000000, 0.0018524000000000, -0.0003629700000000 ] - [ -0.0534536100000000, 0.1300073800000000, 0.0055017900000000 ] - [ -0.0013599000000000, 0.0017190900000000, 0.0000955800000000 ] - [ -0.0043549000000000, -0.0052751100000000, -0.0024730200000000 ] - [ 0.0014946600000000, -0.0004741300000000, -0.0011466600000000 ] - [ -0.0067906200000000, -0.0016536000000000, -0.0035829000000000 ] - [ 0.0015286200000000, 0.0020161100000000, 0.0019590700000000 ] - [ 0.0000433700000000, -0.0014768500000000, -0.0001011000000000 ] - [ 0.0014222000000000, -0.0034438800000000, -0.0000639100000000 ] - [ -0.0088054400000000, 0.0572989600000000, 0.0230643800000000 ] - [ 0.0001789800000000, 0.0011893600000000, 0.0005654400000000 ] - [ -0.0000900000000000, -0.0017000400000000, 0.0000758400000000 ] - [ -0.0003336700000000, -0.0013988100000000, -0.0000537000000000 ] - [ -0.0011348800000000, -0.0010439900000000, -0.0003935400000000 ] - [ 0.0013517300000000, -0.0021395900000000, 0.0008587300000000 ] - [ -0.0031676100000000, -0.0038723000000000, 0.0034736300000000 ] - [ 0.0016507000000000, -0.0004447100000000, 0.0004148200000000 ] - [ 0.0122732300000000, 0.0478689100000000, 0.0002235600000000 ] - [ 0.0017103900000000, 0.0019217100000000, -0.0001447900000000 ] - [ -0.0036016700000000, 0.0164227000000000, -0.0094668600000000 ] - [ -0.0013572700000000, 0.0017271000000000, -0.0015182000000000 ] - [ -0.0000027100000000, -0.0016210200000000, 0.0006117800000000 ] - [ -0.0003660300000000, -0.0009564800000000, 0.0003385900000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000689300000000, -0.0006612600000000, 0.0000858000000000 ] - [ -0.0004401500000000, -0.0020528500000000, -0.0003892300000000 ] - [ -0.0005019100000000, 0.0008474500000000, 0.0006229600000000 ] - [ -0.0001049900000000, 0.0008681300000000, -0.0014951600000000 ] - [ -0.0008663100000000, 0.0004271800000000, -0.0016899200000000 ] - [ 0.0058640000000000, 0.0031336800000000, 0.0011257100000000 ] - [ 0.0019378000000000, -0.0081957400000000, -0.0003709800000000 ] - [ -0.0006036100000000, -0.0004342800000000, 0.0002372400000000 ] - [ -0.0058226100000000, -0.0045260200000000, -0.0013695100000000 ] - [ 0.0007299200000000, 0.0005182100000000, -0.0000898400000000 ] - [ 0.0005367800000000, 0.0016665300000000, 0.0014834400000000 ] - [ -0.0003707800000000, 0.0001601900000000, -0.0004915400000000 ] - [ 0.0052480000000000, 0.0032841500000000, 0.0004874600000000 ] - [ -0.0004857700000000, 0.0005927100000000, 0.0000316200000000 ] - [ -0.0006344700000000, -0.0024032500000000, -0.0005818400000000 ] - [ 0.0004176600000000, -0.0004327500000000, 0.0004532900000000 ] - [ -0.0001024300000000, -0.0020719800000000, 0.0005056100000000 ] - [ -0.0000001700000000, -0.0005744000000000, 0.0001605700000000 ] - [ 0.0010731500000000, -0.0019487400000000, 0.0006193400000000 ] - [ -0.0006540100000000, -0.0009697300000000, -0.0006632200000000 ] - [ -0.0370242400000000, 0.3080538200000000, 0.0026585200000000 ] - [ -0.0000876100000000, 0.0013425600000000, -0.0001451300000000 ] - [ 0.0371227100000000, 0.0258501400000000, 0.0008674000000000 ] - [ -0.0047626900000000, 0.0039367100000000, 0.0005594200000000 ] - [ -0.0002963900000000, -0.0028704200000000, 0.0001492000000000 ] - [ 0.0012709900000000, -0.0023685200000000, -0.0000334100000000 ] - [ -0.0012090000000000, -0.0052459900000000, 0.0003667200000000 ] - [ 0.0001078900000000, -0.0012518400000000, 0.0000567400000000 ] - [ -0.0339253400000000, 0.0156507100000000, -0.0089048800000000 ] - [ -0.0001860100000000, 0.0039041700000000, 0.0028737300000000 ] - [ -0.0384153400000000, 0.0222535100000000, 0.0164921400000000 ] - [ -0.0017422600000000, 0.0014843100000000, -0.0019788200000000 ] - [ -0.0318357400000000, -0.0257615100000000, 0.0015951700000000 ] - [ 0.0058474900000000, 0.0012345400000000, 0.0010005600000000 ] - [ -0.0009603000000000, -0.0015813100000000, -0.0008592800000000 ] - [ 0.0036055400000000, -0.0056227700000000, 0.0000625100000000 ] - [ 0.0009137400000000, -0.0051477000000000, 0.0001102500000000 ] - [ 0.0000389100000000, -0.0015706800000000, -0.0002019300000000 ] - [ 0.0005181700000000, -0.0038304100000000, 0.0003004900000000 ] - [ -0.0001597200000000, -0.0025098400000000, -0.0000525200000000 ] - [ -0.0107436700000000, 0.0006533800000000, 0.0003516400000000 ] - [ 0.0073311400000000, -0.0009872000000000, 0.0005172300000000 ] - [ -0.0000436400000000, 0.0026762000000000, -0.0007797100000000 ] - [ -0.0000044600000000, 0.0008749900000000, -0.0000684600000000 ] - [ 0.0047125800000000, -0.0126049700000000, -0.0054553600000000 ] - [ 0.0007008800000000, -0.0007109100000000, 0.0002701200000000 ] - [ 0.0100468200000000, -0.0673432600000000, 0.0196313200000000 ] - [ 0.0008216400000000, -0.0009224700000000, 0.0004204000000000 ] - [ 0.0019706300000000, -0.0137109400000000, -0.0114159600000000 ] - [ 0.0016533200000000, -0.0019593600000000, -0.0024653600000000 ] - [ -0.0002202200000000, 0.0023407600000000, 0.0004879800000000 ] - [ 0.0000306400000000, 0.0007092500000000, 0.0003694900000000 ] - [ -0.0008429300000000, 0.0031032600000000, 0.0000392000000000 ] - [ -0.0001135300000000, 0.0009092300000000, -0.0000976400000000 ] - [ 0.0008283400000000, 0.0031588200000000, -0.0000178100000000 ] - [ -0.0003215300000000, 0.0015222000000000, -0.0000558500000000 ] - [ 0.0000025200000000, 0.0017234400000000, -0.0002300800000000 ] - [ -0.0001322400000000, 0.0011572000000000, -0.0002196600000000 ] - [ -0.0009011100000000, 0.0033993500000000, -0.0004697700000000 ] - [ 0.0001406600000000, 0.0003018700000000, -0.0000299500000000 ] - [ -0.0002917200000000, 0.0027049900000000, 0.0008534200000000 ] - [ -0.0000390800000000, 0.0008607800000000, 0.0005824300000000 ] - [ 0.0075149100000000, 0.0023768000000000, -0.0056964800000000 ] - [ 0.0003625300000000, -0.0008327600000000, 0.0004373000000000 ] - [ -0.0007067400000000, 0.0018247500000000, -0.0003437000000000 ] - [ 0.0000760400000000, 0.0012521400000000, 0.0008774600000000 ] - [ 0.0010652900000000, 0.0006768000000000, 0.0004000900000000 ] - [ -0.0016964800000000, 0.0018577700000000, -0.0001879100000000 ] - [ 0.0061131300000000, -0.0084556700000000, 0.0055675400000000 ] - [ -0.0002719800000000, -0.0015340700000000, -0.0003444100000000 ] - [ 0.0590588500000000, -0.1336576500000000, -0.0058750800000000 ] - [ 0.0013238300000000, -0.0005388700000000, 0.0000090400000000 ] - [ 0.0041916500000000, 0.0054531300000000, 0.0016820800000000 ] - [ -0.0017217900000000, 0.0006916400000000, 0.0003701100000000 ] - [ 0.0072181000000000, 0.0021357100000000, 0.0037250100000000 ] - [ -0.0012133300000000, -0.0015716600000000, -0.0018717100000000 ] - [ -0.0005217200000000, 0.0012201300000000, 0.0001733800000000 ] - [ -0.0018852000000000, 0.0031749500000000, 0.0001361300000000 ] - [ 0.0095379100000000, -0.0562442500000000, -0.0214582900000000 ] - [ 0.0001417600000000, -0.0010894000000000, -0.0010080500000000 ] - [ -0.0002247800000000, 0.0015644800000000, 0.0003874000000000 ] - [ 0.0000241600000000, 0.0012545100000000, 0.0005189600000000 ] - [ 0.0002263400000000, 0.0007229700000000, 0.0015249400000000 ] - [ -0.0022487600000000, 0.0018133400000000, 0.0002752800000000 ] - [ 0.0041136700000000, 0.0034832100000000, -0.0045657000000000 ] - [ -0.0007478700000000, 0.0001185600000000, -0.0015409800000000 ] - [ -0.0121450100000000, -0.0483354300000000, -0.0003202100000000 ] - [ -0.0012450100000000, -0.0021860300000000, 0.0000738300000000 ] - [ 0.0037791700000000, -0.0168827000000000, 0.0096660400000000 ] - [ 0.0016090500000000, -0.0021015000000000, 0.0016490100000000 ] - [ -0.0003274000000000, 0.0017234400000000, -0.0001709400000000 ] - [ 0.0000427100000000, 0.0010523500000000, 0.0001035600000000 ]- atom: 21 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ -0.0003885600000000, 0.0000518400000000, 0.0002039200000000 ] - [ 0.0000632600000000, -0.0006624100000000, -0.0002110300000000 ] - [ 0.0003797300000000, -0.0011069300000000, 0.0002770700000000 ] - [ 0.0013021300000000, 0.0022248300000000, 0.0020103900000000 ] - [ -0.0023339700000000, -0.0001120800000000, 0.0021689800000000 ] - [ 0.0072793200000000, 0.0009359600000000, -0.0013421100000000 ] - [ 0.0010916500000000, 0.0026435600000000, -0.0003169600000000 ] - [ -0.0008145000000000, -0.0003015600000000, 0.0003569200000000 ] - [ 0.0000471400000000, -0.0007746300000000, -0.0067806700000000 ] - [ 0.0000923900000000, 0.0003208500000000, 0.0000064300000000 ] - [ -0.0016955500000000, -0.0008027500000000, 0.0030829100000000 ] - [ 0.0001089200000000, -0.0001106800000000, -0.0006182400000000 ] - [ -0.0089052100000000, 0.0037790200000000, 0.0083986900000000 ] - [ 0.0010142100000000, -0.0000674700000000, -0.0006379400000000 ] - [ -0.0019099000000000, 0.0004667100000000, 0.0016960500000000 ] - [ 0.0006110400000000, -0.0002293900000000, 0.0002190500000000 ] - [ 0.0000827700000000, -0.0009204600000000, 0.0006530600000000 ] - [ -0.0001064900000000, 0.0000752000000000, -0.0000258500000000 ] - [ 0.0007636200000000, -0.0018297900000000, 0.0015036200000000 ] - [ 0.0009125200000000, 0.0011078800000000, -0.0001177900000000 ] - [ 0.1676899100000000, -0.0191543100000000, -0.2280001000000000 ] - [ -0.0015360400000000, -0.0001485500000000, 0.0010992600000000 ] - [ -0.0270503400000000, 0.0022496600000000, -0.0107795800000000 ] - [ -0.0039636000000000, 0.0026910000000000, 0.0010904000000000 ] - [ -0.0005471900000000, 0.0000243400000000, -0.0003173100000000 ] - [ 0.0003328100000000, -0.0008080500000000, 0.0000551700000000 ] - [ 0.0003697100000000, -0.0004728500000000, -0.0006678000000000 ] - [ 0.0001259400000000, -0.0000633600000000, 0.0002521000000000 ] - [ 0.0462507600000000, -0.0104933700000000, 0.0279677700000000 ] - [ -0.0004864200000000, 0.0019611600000000, 0.0046292000000000 ] - [ -0.0506932500000000, -0.0056173200000000, 0.0550614000000000 ] - [ -0.0003275700000000, 0.0005001900000000, -0.0001101500000000 ] - [ -0.0113629300000000, -0.0260189400000000, -0.0000042100000000 ] - [ -0.0055247800000000, 0.0009505600000000, -0.0012796000000000 ] - [ -0.0001232600000000, 0.0008810100000000, -0.0008024400000000 ] - [ 0.0014822800000000, 0.0000191500000000, -0.0046707600000000 ] - [ 0.0006027400000000, -0.0003784200000000, -0.0004518700000000 ] - [ 0.0001530500000000, -0.0003817600000000, -0.0000493300000000 ] - [ 0.0004153500000000, 0.0002636000000000, -0.0012125600000000 ] - [ -0.0001294300000000, -0.0008934900000000, 0.0006939300000000 ] - [ 0.0065569100000000, -0.0026421300000000, 0.0008957700000000 ] - [ 0.0075830400000000, 0.0014869300000000, -0.0007800100000000 ] - [ -0.0004516300000000, 0.0004116500000000, 0.0005752400000000 ] - [ -0.0000370000000000, 0.0002915200000000, 0.0000569400000000 ] - [ 0.0067190200000000, -0.0062186500000000, -0.0142464500000000 ] - [ -0.0005000100000000, -0.0001695200000000, -0.0001356900000000 ] - [ -0.0101008200000000, -0.0162921800000000, 0.0441431100000000 ] - [ 0.0007006800000000, -0.0000424300000000, -0.0010337600000000 ] - [ -0.0085064800000000, 0.0104324500000000, 0.0114009500000000 ] - [ 0.0019616300000000, -0.0009742000000000, -0.0026741400000000 ] - [ -0.0002828300000000, 0.0000642700000000, 0.0004386400000000 ] - [ -0.0000409200000000, -0.0000852300000000, -0.0001676900000000 ] - [ -0.0003536200000000, -0.0002099800000000, -0.0006074800000000 ] - [ -0.0000504800000000, 0.0003962200000000, 0.0000467000000000 ] - [ 0.0001129100000000, 0.0008314400000000, 0.0005143000000000 ] - [ 0.0000102100000000, 0.0007461400000000, -0.0000933200000000 ] - [ 0.0001387300000000, -0.0007070000000000, 0.0003792200000000 ] - [ -0.0001550800000000, 0.0003995000000000, -0.0002251800000000 ] - [ -0.0011289500000000, -0.0003281200000000, 0.0013003500000000 ] - [ -0.0006898400000000, -0.0005885700000000, -0.0001183900000000 ] - [ 0.0001239200000000, 0.0007235900000000, 0.0001870700000000 ] - [ -0.0001703100000000, 0.0001530400000000, 0.0003963000000000 ] - [ 0.0091275800000000, 0.0058837800000000, -0.0120278200000000 ] - [ -0.0005288100000000, -0.0003317300000000, -0.0002009800000000 ] - [ -0.0002241200000000, 0.0002766500000000, 0.0006559000000000 ] - [ -0.0001116200000000, 0.0002766500000000, 0.0002483500000000 ] - [ -0.0001101700000000, -0.0000992300000000, 0.0011504800000000 ] - [ 0.0006903000000000, -0.0016690300000000, 0.0012245600000000 ] - [ -0.0050731600000000, 0.0058711300000000, -0.0096132700000000 ] - [ -0.0010104800000000, -0.0003553700000000, -0.0016758800000000 ] - [ -0.0496208000000000, 0.0306098400000000, 0.0443161600000000 ] - [ 0.0016852800000000, 0.0000658500000000, -0.0003238400000000 ] - [ -0.0036514700000000, 0.0068714400000000, 0.0038110900000000 ] - [ 0.0012231700000000, -0.0002809500000000, -0.0010108300000000 ] - [ -0.0103496400000000, -0.0055329200000000, -0.0099543200000000 ] - [ -0.0010469600000000, -0.0005998600000000, -0.0023320600000000 ] - [ 0.0001271200000000, -0.0005315700000000, 0.0001445400000000 ] - [ -0.0006855400000000, 0.0005197100000000, 0.0006321500000000 ] - [ -0.0252319600000000, 0.0240846000000000, 0.0573900900000000 ] - [ 0.0000515100000000, -0.0004427400000000, -0.0014738500000000 ] - [ -0.0002279900000000, -0.0003020200000000, 0.0008468200000000 ] - [ 0.0001062400000000, 0.0004437600000000, -0.0000077900000000 ] - [ 0.0004423400000000, -0.0000675200000000, 0.0004495100000000 ] - [ -0.0022742500000000, 0.0014955600000000, 0.0022239600000000 ] - [ 0.0025184300000000, 0.0050401800000000, -0.0032020000000000 ] - [ 0.0013157600000000, -0.0003170300000000, 0.0003080600000000 ] - [ -0.0489607800000000, -0.0051972900000000, 0.0320809100000000 ] - [ 0.0020089600000000, 0.0005355300000000, 0.0001188000000000 ] - [ 0.0140821800000000, -0.0027273900000000, 0.0015885700000000 ] - [ 0.0010578400000000, -0.0011433400000000, 0.0007180000000000 ] - [ 0.0000177500000000, -0.0002418800000000, 0.0004010500000000 ] - [ -0.0000580700000000, 0.0003885100000000, 0.0002311600000000 ]- atom: 21 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ 0.0000962600000000, -0.0001073800000000, -0.0000810100000000 ] - [ -0.0003556600000000, 0.0006081000000000, 0.0003344600000000 ] - [ -0.0006928400000000, 0.0010259500000000, 0.0003496900000000 ] - [ -0.0016334100000000, -0.0023179900000000, -0.0013900600000000 ] - [ 0.0023516700000000, 0.0000531000000000, -0.0024718900000000 ] - [ -0.0072790600000000, -0.0010075800000000, 0.0010683700000000 ] - [ -0.0014785700000000, -0.0026063400000000, 0.0009779800000000 ] - [ 0.0004375200000000, 0.0003497800000000, 0.0002980600000000 ] - [ 0.0003385200000000, 0.0008259300000000, 0.0061323600000000 ] - [ 0.0002885000000000, -0.0002760000000000, -0.0006637300000000 ] - [ 0.0017012200000000, 0.0006436500000000, -0.0032198900000000 ] - [ -0.0001116300000000, -0.0000239500000000, 0.0004783100000000 ] - [ 0.0091109400000000, -0.0037719400000000, -0.0084795300000000 ] - [ -0.0007213700000000, 0.0000148900000000, 0.0005182600000000 ] - [ 0.0019133700000000, -0.0006054500000000, -0.0015511900000000 ] - [ -0.0006089900000000, 0.0000957500000000, -0.0000693100000000 ] - [ -0.0000911300000000, 0.0008504300000000, -0.0003554800000000 ] - [ 0.0000972800000000, -0.0001437400000000, 0.0003243600000000 ] - [ -0.0004455300000000, 0.0017535400000000, -0.0021283500000000 ] - [ -0.0005960700000000, -0.0011863200000000, -0.0005084100000000 ] - [ -0.1690420800000000, 0.0131186500000000, 0.2279678100000000 ] - [ 0.0014573200000000, -0.0002856200000000, -0.0011934000000000 ] - [ 0.0267663800000000, -0.0023218100000000, 0.0107408100000000 ] - [ 0.0036378400000000, -0.0027151600000000, -0.0012869200000000 ] - [ 0.0006320400000000, -0.0004540800000000, 0.0004089700000000 ] - [ -0.0002510600000000, 0.0003797400000000, 0.0000333100000000 ] - [ -0.0000089900000000, 0.0004830600000000, 0.0008501900000000 ] - [ 0.0002316300000000, 0.0000699600000000, -0.0000713800000000 ] - [ -0.0470264200000000, 0.0103570500000000, -0.0277748400000000 ] - [ -0.0003325400000000, -0.0022940800000000, -0.0045833700000000 ] - [ 0.0506628900000000, 0.0057819900000000, -0.0556661000000000 ] - [ 0.0000515500000000, -0.0008376000000000, 0.0000219700000000 ] - [ 0.0110021200000000, 0.0271083300000000, 0.0000914600000000 ] - [ 0.0051996800000000, 0.0000319100000000, 0.0014635700000000 ] - [ 0.0004530500000000, 0.0001099700000000, 0.0006152500000000 ] - [ -0.0011526200000000, 0.0009736000000000, 0.0044810600000000 ] - [ 0.0002136100000000, 0.0000366000000000, 0.0003991600000000 ] - [ 0.0006621300000000, 0.0000473800000000, -0.0000081200000000 ] - [ -0.0001308300000000, -0.0006072100000000, 0.0013054600000000 ] - [ 0.0004114800000000, 0.0005557500000000, -0.0006021300000000 ] - [ -0.0049566900000000, 0.0015958300000000, -0.0005314900000000 ] - [ -0.0061551500000000, -0.0025889400000000, 0.0011466500000000 ] - [ 0.0000978100000000, 0.0000850200000000, -0.0001979800000000 ] - [ -0.0003184000000000, 0.0002046600000000, 0.0003223500000000 ] - [ -0.0067828200000000, 0.0058687600000000, 0.0139961800000000 ] - [ 0.0004564200000000, -0.0001407900000000, -0.0001405800000000 ] - [ 0.0111346300000000, 0.0192850800000000, -0.0485202500000000 ] - [ -0.0003946000000000, -0.0000968500000000, 0.0005710300000000 ] - [ 0.0088206300000000, -0.0099352300000000, -0.0117903600000000 ] - [ -0.0016063700000000, 0.0014781800000000, 0.0023097800000000 ] - [ 0.0000195100000000, -0.0004489000000000, -0.0005781200000000 ] - [ -0.0002200900000000, -0.0002988600000000, 0.0000294300000000 ] - [ 0.0000358900000000, 0.0006544600000000, 0.0005171300000000 ] - [ -0.0002683300000000, 0.0000396800000000, -0.0001354900000000 ] - [ -0.0000959900000000, 0.0003411200000000, -0.0006192100000000 ] - [ 0.0000086800000000, 0.0004284800000000, -0.0000103700000000 ] - [ -0.0000985100000000, 0.0004052200000000, -0.0001102000000000 ] - [ 0.0001964800000000, -0.0007078400000000, 0.0004974900000000 ] - [ -0.0004042700000000, -0.0007161200000000, -0.0016765200000000 ] - [ -0.0008440900000000, -0.0004508900000000, -0.0002573800000000 ] - [ -0.0002536200000000, -0.0004017100000000, 0.0005161400000000 ] - [ 0.0000423700000000, 0.0001665700000000, 0.0003071700000000 ] - [ -0.0088068300000000, -0.0057549400000000, 0.0114953600000000 ] - [ 0.0007358000000000, 0.0004372300000000, -0.0002408500000000 ] - [ 0.0000162400000000, -0.0001682100000000, -0.0002132500000000 ] - [ -0.0000931700000000, -0.0001713300000000, 0.0001923000000000 ] - [ 0.0003390500000000, 0.0003210200000000, -0.0003814200000000 ] - [ -0.0004601400000000, 0.0018858100000000, -0.0004495700000000 ] - [ 0.0051741600000000, -0.0055848700000000, 0.0088955300000000 ] - [ 0.0011454200000000, 0.0006732300000000, 0.0009770000000000 ] - [ 0.0498706200000000, -0.0297564400000000, -0.0438679900000000 ] - [ -0.0017144200000000, 0.0011164400000000, 0.0004317300000000 ] - [ 0.0034235500000000, -0.0066722100000000, -0.0045969300000000 ] - [ -0.0014460300000000, 0.0005013200000000, 0.0002346200000000 ] - [ 0.0107600000000000, 0.0060043500000000, 0.0100710000000000 ] - [ 0.0013673500000000, 0.0010362500000000, 0.0024228000000000 ] - [ -0.0005992900000000, 0.0002698200000000, -0.0000727500000000 ] - [ 0.0002144800000000, -0.0007865400000000, -0.0005595500000000 ] - [ 0.0262481000000000, -0.0215876800000000, -0.0537494600000000 ] - [ 0.0002781900000000, 0.0005412600000000, 0.0010380800000000 ] - [ -0.0000817400000000, 0.0001621900000000, -0.0003822100000000 ] - [ -0.0004169000000000, -0.0005858800000000, 0.0004733800000000 ] - [ -0.0013506800000000, -0.0002584100000000, 0.0006790600000000 ] - [ 0.0013703600000000, -0.0018220600000000, -0.0010977800000000 ] - [ -0.0015988400000000, -0.0053669600000000, 0.0021249300000000 ] - [ -0.0004081700000000, -0.0000069200000000, -0.0014333900000000 ] - [ 0.0486431200000000, 0.0047234200000000, -0.0324062000000000 ] - [ -0.0015350100000000, -0.0007917500000000, -0.0001901600000000 ] - [ -0.0138297900000000, 0.0023476700000000, -0.0014594200000000 ] - [ -0.0008042100000000, 0.0007655200000000, -0.0005835200000000 ] - [ -0.0003447900000000, 0.0003412000000000, 0.0000374900000000 ] - [ -0.0002681000000000, -0.0002923100000000, 0.0002099800000000 ]- atom: 23 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ -0.0003589200000000, -0.0019616900000000, -0.0012095100000000 ] - [ 0.0005040900000000, 0.0009574000000000, 0.0008237600000000 ] - [ -0.0009239300000000, 0.0000372500000000, -0.0002683300000000 ] - [ 0.0012964000000000, 0.0008573400000000, 0.0024740500000000 ] - [ 0.0004613200000000, 0.0031332100000000, -0.0036744300000000 ] - [ 0.0022855400000000, -0.0009821300000000, 0.0013662600000000 ] - [ -0.0041987900000000, 0.0084035000000000, 0.0008673200000000 ] - [ 0.0024186800000000, -0.0005966900000000, 0.0006380900000000 ] - [ -0.0027287100000000, -0.0010132800000000, -0.0009521900000000 ] - [ 0.0011894500000000, 0.0001535100000000, 0.0000158100000000 ] - [ -0.0020283600000000, 0.0007435000000000, -0.0042020100000000 ] - [ 0.0018980000000000, 0.0000633800000000, 0.0020342200000000 ] - [ 0.0018737800000000, -0.0012874800000000, -0.0007753300000000 ] - [ 0.0011053800000000, 0.0026761800000000, 0.0030174900000000 ] - [ -0.0007915600000000, -0.0005103600000000, -0.0004733800000000 ] - [ 0.0006960400000000, -0.0001172900000000, 0.0004680100000000 ] - [ 0.0001505500000000, 0.0010537000000000, -0.0002464500000000 ] - [ 0.0001726100000000, -0.0021003500000000, 0.0009984200000000 ] - [ 0.0004566200000000, -0.0005181100000000, 0.0000478400000000 ] - [ -0.0001041200000000, -0.0000182100000000, -0.0003839600000000 ] - [ 0.0547345900000000, -0.0373365400000000, -0.0039098300000000 ] - [ 0.0113139700000000, 0.0044090200000000, 0.0010580000000000 ] - [ -0.3806858600000000, 0.0330997400000000, -0.0006002400000000 ] - [ 0.0063375800000000, -0.0017239000000000, 0.0008017500000000 ] - [ -0.0018332700000000, -0.0016103900000000, -0.0006246400000000 ] - [ 0.0018456100000000, -0.0002870500000000, 0.0008304600000000 ] - [ -0.0016208900000000, -0.0003056300000000, -0.0002966300000000 ] - [ 0.0014453500000000, -0.0004481700000000, 0.0006252200000000 ] - [ -0.0232307100000000, -0.0075201700000000, -0.0204636600000000 ] - [ 0.0045862500000000, -0.0007363100000000, 0.0032091500000000 ] - [ -0.0198415900000000, -0.0171392300000000, 0.0161540500000000 ] - [ 0.0041373400000000, 0.0006970500000000, 0.0004720200000000 ] - [ 0.0137467600000000, 0.0066625900000000, -0.0001486600000000 ] - [ 0.0561155600000000, -0.0189542200000000, 0.0055510300000000 ] - [ 0.0005680000000000, 0.0008263600000000, -0.0008970900000000 ] - [ 0.0009591800000000, -0.0011320500000000, 0.0001138300000000 ] - [ -0.0033348900000000, 0.0013325400000000, -0.0022577200000000 ] - [ 0.0027761800000000, -0.0018464500000000, 0.0014006500000000 ] - [ -0.0038461700000000, 0.0000509200000000, -0.0002082800000000 ] - [ 0.0026633200000000, -0.0002036800000000, 0.0010620000000000 ] - [ 0.0754583800000000, -0.0482114800000000, -0.0073963600000000 ] - [ -0.0059905200000000, 0.0008453600000000, -0.0003651100000000 ] - [ 0.0009427700000000, -0.0003018100000000, 0.0003390800000000 ] - [ -0.0010398900000000, 0.0010585200000000, -0.0002002500000000 ] - [ 0.0042933600000000, 0.0027286100000000, -0.0025655600000000 ] - [ -0.0009119800000000, -0.0012751900000000, -0.0010472200000000 ] - [ 0.0033104000000000, 0.0135040000000000, -0.0110811600000000 ] - [ -0.0029896500000000, -0.0017317400000000, 0.0013801200000000 ] - [ 0.0557003600000000, 0.0069757000000000, 0.0147718000000000 ] - [ -0.0026074000000000, 0.0006210700000000, -0.0006013500000000 ] - [ 0.0016266000000000, -0.0004277400000000, 0.0011238000000000 ] - [ -0.0016572800000000, 0.0001316500000000, -0.0009858600000000 ] - [ 0.0012259500000000, -0.0017113600000000, 0.0001987300000000 ] - [ -0.0011300100000000, 0.0017000200000000, -0.0008286600000000 ] - [ 0.0018403900000000, 0.0012861100000000, 0.0001836700000000 ] - [ -0.0013691700000000, 0.0006396300000000, -0.0003231200000000 ] - [ 0.0009234700000000, -0.0002599900000000, 0.0004076200000000 ] - [ -0.0006408200000000, 0.0001377400000000, -0.0003964000000000 ] - [ -0.0005514100000000, 0.0004298000000000, -0.0001752300000000 ] - [ -0.0012122800000000, -0.0006609000000000, -0.0002041800000000 ] - [ 0.0006337400000000, -0.0001606600000000, 0.0008425600000000 ] - [ -0.0005726200000000, 0.0007129400000000, 0.0000874300000000 ] - [ 0.0042521000000000, -0.0003206000000000, 0.0025620700000000 ] - [ -0.0008748600000000, -0.0006381200000000, -0.0002642200000000 ] - [ 0.0015105400000000, -0.0005047200000000, 0.0018210400000000 ] - [ -0.0015096600000000, 0.0000522200000000, -0.0006809400000000 ] - [ 0.0002420600000000, -0.0007678600000000, 0.0004736700000000 ] - [ -0.0005130100000000, 0.0009577300000000, 0.0002206800000000 ] - [ 0.0058492000000000, 0.0005094000000000, 0.0020286300000000 ] - [ -0.0017117500000000, 0.0004923200000000, -0.0020532200000000 ] - [ 0.1393628200000000, 0.0368162700000000, 0.0035719900000000 ] - [ -0.0063862400000000, 0.0004810600000000, -0.0003106700000000 ] - [ -0.0046847700000000, -0.0030024200000000, -0.0016852700000000 ] - [ -0.0086029200000000, 0.0046494600000000, 0.0035023800000000 ] - [ 0.0050970800000000, -0.0021022300000000, -0.0009305200000000 ] - [ -0.0013153900000000, -0.0000757900000000, -0.0012156400000000 ] - [ 0.0003373100000000, 0.0002169400000000, 0.0002645400000000 ] - [ -0.0012779500000000, 0.0005043900000000, -0.0000827600000000 ] - [ 0.0055639900000000, 0.0118219800000000, 0.0151543000000000 ] - [ -0.0041878500000000, -0.0012638900000000, -0.0037820800000000 ] - [ 0.0020400300000000, 0.0012199500000000, -0.0003273900000000 ] - [ -0.0013873200000000, -0.0003695400000000, 0.0002139100000000 ] - [ -0.0000942700000000, -0.0003262500000000, 0.0011201400000000 ] - [ -0.0012254600000000, 0.0005755200000000, 0.0002817200000000 ] - [ -0.0026108900000000, -0.0022925500000000, 0.0008847000000000 ] - [ -0.0078263300000000, 0.0040252800000000, -0.0083466800000000 ] - [ -0.0128336800000000, -0.0008887700000000, 0.0002438500000000 ] - [ -0.0145150100000000, -0.0061861200000000, -0.0006977600000000 ] - [ 0.0541056100000000, 0.0120331000000000, -0.0070092500000000 ] - [ -0.0028744600000000, 0.0003686700000000, -0.0014161000000000 ] - [ 0.0024030400000000, 0.0009584700000000, 0.0019177900000000 ] - [ -0.0018247200000000, 0.0002180300000000, -0.0010603700000000 ]- atom: 23 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ 0.0000654300000000, 0.0019098200000000, 0.0013351500000000 ] - [ -0.0007983400000000, -0.0010186900000000, -0.0007033500000000 ] - [ 0.0006015500000000, -0.0001066900000000, 0.0008847300000000 ] - [ -0.0016153000000000, -0.0009349000000000, -0.0018569300000000 ] - [ -0.0004563700000000, -0.0031763300000000, 0.0033408300000000 ] - [ -0.0022842000000000, 0.0009181600000000, -0.0016681100000000 ] - [ 0.0038362100000000, -0.0084119500000000, -0.0002128200000000 ] - [ -0.0028048500000000, 0.0006388600000000, 0.0000150900000000 ] - [ 0.0031302500000000, 0.0010250100000000, 0.0002938700000000 ] - [ -0.0008087400000000, -0.0001049600000000, -0.0006726000000000 ] - [ 0.0020332700000000, -0.0008695800000000, 0.0040752400000000 ] - [ -0.0019046800000000, -0.0001982000000000, -0.0021825400000000 ] - [ -0.0015874600000000, 0.0012378500000000, 0.0006642000000000 ] - [ -0.0008237300000000, -0.0027110500000000, -0.0031132500000000 ] - [ 0.0007958000000000, 0.0003678700000000, 0.0006242900000000 ] - [ -0.0006978300000000, -0.0000144400000000, -0.0003227500000000 ] - [ -0.0001588000000000, -0.0011270700000000, 0.0005472600000000 ] - [ -0.0001841500000000, 0.0020329800000000, -0.0007028000000000 ] - [ -0.0001333900000000, 0.0004415500000000, -0.0006730700000000 ] - [ 0.0004159400000000, -0.0000618500000000, -0.0002455300000000 ] - [ -0.0557011000000000, 0.0371458400000000, 0.0038419100000000 ] - [ -0.0113242800000000, -0.0048003200000000, -0.0011513700000000 ] - [ 0.3906236400000000, -0.0243205200000000, 0.0014317200000000 ] - [ -0.0066944700000000, 0.0017427700000000, -0.0009852600000000 ] - [ 0.0019207100000000, 0.0011754800000000, 0.0007173300000000 ] - [ -0.0017645100000000, -0.0001459300000000, -0.0007427600000000 ] - [ 0.0019895800000000, 0.0003083500000000, 0.0004803700000000 ] - [ -0.0010935000000000, 0.0004523200000000, -0.0004469300000000 ] - [ 0.0228645300000000, 0.0071526400000000, 0.0205266500000000 ] - [ -0.0053919400000000, 0.0004046200000000, -0.0031430500000000 ] - [ 0.0200071400000000, 0.0168143900000000, -0.0162572400000000 ] - [ -0.0044203200000000, -0.0010400300000000, -0.0005935600000000 ] - [ -0.0140936700000000, -0.0056765800000000, 0.0003456200000000 ] - [ -0.0562297900000000, 0.0193442300000000, -0.0054081900000000 ] - [ -0.0002520900000000, 0.0001554000000000, 0.0007043600000000 ] - [ -0.0006265400000000, 0.0021264700000000, -0.0002955300000000 ] - [ 0.0041613500000000, -0.0016839700000000, 0.0022030300000000 ] - [ -0.0019704600000000, 0.0015122800000000, -0.0014619000000000 ] - [ 0.0041387100000000, -0.0003981100000000, 0.0003099900000000 ] - [ -0.0023864400000000, -0.0001409200000000, -0.0009726900000000 ] - [ -0.0713700400000000, 0.0433921400000000, 0.0071315200000000 ] - [ 0.0075340700000000, -0.0018899800000000, 0.0007412800000000 ] - [ -0.0013008100000000, 0.0008031500000000, 0.0000381800000000 ] - [ 0.0006891100000000, -0.0005633000000000, 0.0005794700000000 ] - [ -0.0044072200000000, -0.0030762600000000, 0.0022801000000000 ] - [ 0.0008812400000000, 0.0009692300000000, 0.0007859500000000 ] - [ -0.0030525500000000, -0.0137556500000000, 0.0107177300000000 ] - [ 0.0032872100000000, 0.0015820800000000, -0.0018257400000000 ] - [ -0.0556337400000000, -0.0066410800000000, -0.0152983700000000 ] - [ 0.0029571200000000, -0.0001282000000000, 0.0002206900000000 ] - [ -0.0018964800000000, 0.0000478400000000, -0.0012673400000000 ] - [ 0.0013986900000000, -0.0005136300000000, 0.0008516900000000 ] - [ -0.0015502600000000, 0.0021594400000000, -0.0002859400000000 ] - [ 0.0008175100000000, -0.0012639900000000, 0.0007401400000000 ] - [ -0.0018284900000000, -0.0001038300000000, -0.0002884200000000 ] - [ 0.0013908000000000, 0.0005382500000000, 0.0002202100000000 ] - [ -0.0008847400000000, -0.0000400000000000, -0.0001398900000000 ] - [ 0.0006819400000000, -0.0004457000000000, 0.0006699900000000 ] - [ -0.0009879500000000, -0.0014737600000000, -0.0002032100000000 ] - [ -0.0003113200000000, -0.0003761900000000, -0.0001705400000000 ] - [ -0.0007656100000000, 0.0004868600000000, -0.0001397600000000 ] - [ 0.0004471900000000, -0.0003952600000000, 0.0006166500000000 ] - [ -0.0041299500000000, 0.0004868400000000, -0.0030712900000000 ] - [ 0.0010834700000000, 0.0007432800000000, -0.0001696600000000 ] - [ -0.0017222300000000, 0.0006149200000000, -0.0013852700000000 ] - [ 0.0013063200000000, 0.0000596700000000, 0.0011250000000000 ] - [ -0.0000020000000000, 0.0009931000000000, 0.0002999100000000 ] - [ 0.0007411600000000, -0.0007379000000000, 0.0005482200000000 ] - [ -0.0057899600000000, -0.0002173800000000, -0.0027081000000000 ] - [ 0.0018403700000000, -0.0001746900000000, 0.0013502900000000 ] - [ -0.1515686800000000, -0.0398543100000000, -0.0037895100000000 ] - [ 0.0063462700000000, 0.0006980700000000, 0.0004184100000000 ] - [ 0.0044703000000000, 0.0032299000000000, 0.0009081000000000 ] - [ 0.0085017500000000, -0.0044288800000000, -0.0043145400000000 ] - [ -0.0048515700000000, 0.0026122700000000, 0.0010661300000000 ] - [ 0.0016287300000000, 0.0005077700000000, 0.0013019300000000 ] - [ -0.0008113200000000, -0.0004757800000000, -0.0001918600000000 ] - [ 0.0008041100000000, -0.0007681700000000, 0.0001539500000000 ] - [ -0.0053036100000000, -0.0118286100000000, -0.0157248400000000 ] - [ 0.0045039200000000, 0.0013524900000000, 0.0033310500000000 ] - [ -0.0023515100000000, -0.0013560000000000, 0.0007912600000000 ] - [ 0.0010783800000000, 0.0002322000000000, 0.0002515200000000 ] - [ -0.0008048700000000, 0.0000063200000000, 0.0000103000000000 ] - [ 0.0003197200000000, -0.0009046500000000, 0.0008404100000000 ] - [ 0.0035241300000000, 0.0019719700000000, -0.0020171900000000 ] - [ 0.0087707100000000, -0.0043182500000000, 0.0072618800000000 ] - [ 0.0132337500000000, 0.0006884500000000, -0.0003164900000000 ] - [ 0.0149106100000000, 0.0059614700000000, 0.0006236100000000 ] - [ -0.0541088800000000, -0.0126394700000000, 0.0073157200000000 ] - [ 0.0031396800000000, -0.0007568500000000, 0.0015638300000000 ] - [ -0.0027352400000000, -0.0008561900000000, -0.0014815200000000 ] - [ 0.0015035900000000, -0.0001185400000000, 0.0015049200000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003147900000000, 0.0027185300000000, 0.0008711300000000 ] - [ -0.0001030500000000, 0.0003530900000000, -0.0000838800000000 ] - [ 0.0002421500000000, -0.0028590500000000, 0.0006997900000000 ] - [ -0.0006996900000000, -0.0016220600000000, 0.0006724800000000 ] - [ 0.0059028000000000, -0.0006057100000000, 0.0000523000000000 ] - [ -0.0014099600000000, -0.0004216500000000, -0.0002820100000000 ] - [ 0.0074177600000000, 0.0073267600000000, 0.0013176800000000 ] - [ -0.0023163700000000, 0.0005125000000000, 0.0001179600000000 ] - [ -0.0016965600000000, 0.0093953400000000, 0.0014667000000000 ] - [ -0.0000938000000000, 0.0000153300000000, -0.0004454000000000 ] - [ 0.0009062700000000, -0.0032156000000000, 0.0023405800000000 ] - [ -0.0010164600000000, -0.0009773800000000, -0.0016774900000000 ] - [ -0.0012298300000000, -0.0004014700000000, -0.0021049400000000 ] - [ 0.0048990200000000, -0.0007165800000000, 0.0012932000000000 ] - [ 0.0004172600000000, 0.0029536100000000, -0.0003308500000000 ] - [ -0.0000985000000000, 0.0005047400000000, 0.0000385400000000 ] - [ 0.0002304400000000, 0.0003102900000000, 0.0003622300000000 ] - [ -0.0003927700000000, 0.0025155900000000, -0.0006169400000000 ] - [ -0.0010131700000000, 0.0016629000000000, -0.0009129600000000 ] - [ 0.0010284100000000, 0.0017267800000000, 0.0003049000000000 ] - [ -0.0083106000000000, -0.0261573000000000, -0.0014085400000000 ] - [ -0.0057799800000000, -0.0041587200000000, 0.0002398700000000 ] - [ 0.0257146100000000, -0.2981045700000000, -0.0170527900000000 ] - [ -0.0019041900000000, -0.0018244700000000, -0.0006076200000000 ] - [ -0.0003504400000000, 0.0050262100000000, 0.0003862100000000 ] - [ -0.0009199600000000, 0.0010379700000000, -0.0003316500000000 ] - [ 0.0004806300000000, 0.0034819100000000, 0.0002719700000000 ] - [ 0.0006320800000000, 0.0027922400000000, -0.0003145500000000 ] - [ -0.0263510300000000, 0.0071133200000000, 0.0206063800000000 ] - [ -0.0026762400000000, -0.0015565100000000, -0.0018995100000000 ] - [ -0.0434761800000000, 0.0040034900000000, -0.0304617000000000 ] - [ -0.0002499500000000, -0.0012052800000000, 0.0020340200000000 ] - [ 0.0007510100000000, -0.0006808300000000, -0.0009702400000000 ] - [ -0.0538033700000000, -0.0009068900000000, -0.0102576500000000 ] - [ 0.0029172200000000, 0.0076275200000000, 0.0005796500000000 ] - [ -0.0006190500000000, 0.0032951800000000, -0.0005929400000000 ] - [ 0.0025203700000000, 0.0041353400000000, 0.0020363400000000 ] - [ -0.0009131300000000, 0.0028626400000000, -0.0008240700000000 ] - [ 0.0024000200000000, 0.0048965200000000, -0.0011774500000000 ] - [ -0.0010202700000000, 0.0013797100000000, -0.0002654900000000 ] - [ -0.0388422900000000, 0.1039138800000000, 0.0141636200000000 ] - [ 0.0009908700000000, 0.0000151500000000, 0.0003924300000000 ] - [ -0.0008646200000000, -0.0012794900000000, 0.0006374500000000 ] - [ 0.0001225400000000, -0.0014112800000000, 0.0008494700000000 ] - [ 0.0084798000000000, 0.0080477600000000, 0.0072496200000000 ] - [ -0.0010290100000000, 0.0013210600000000, -0.0011474400000000 ] - [ 0.0114782900000000, 0.0074437000000000, -0.0049229100000000 ] - [ 0.0010016900000000, 0.0018348300000000, -0.0021890800000000 ] - [ 0.0098734300000000, 0.0456532200000000, 0.0193732600000000 ] - [ 0.0011563800000000, 0.0010537200000000, 0.0009614200000000 ] - [ -0.0009941400000000, -0.0022440400000000, -0.0009782000000000 ] - [ 0.0005764900000000, -0.0015606600000000, -0.0000317500000000 ] - [ -0.0009516900000000, -0.0015352800000000, -0.0011740900000000 ] - [ 0.0007867300000000, -0.0016160600000000, 0.0006685600000000 ] - [ -0.0005810400000000, -0.0028540300000000, -0.0002085500000000 ] - [ 0.0002704200000000, -0.0003662500000000, 0.0000814200000000 ] - [ -0.0002576000000000, -0.0028470000000000, 0.0009088800000000 ] - [ 0.0003474300000000, -0.0011679000000000, 0.0005074700000000 ] - [ -0.0008386900000000, -0.0024966600000000, 0.0000227100000000 ] - [ -0.0031259500000000, -0.0026298900000000, -0.0003403000000000 ] - [ -0.0001748100000000, -0.0023215100000000, -0.0005841400000000 ] - [ 0.0001519300000000, -0.0012752800000000, 0.0001476500000000 ] - [ 0.0065705400000000, -0.0071318400000000, 0.0070514700000000 ] - [ -0.0001700800000000, 0.0006805000000000, -0.0012039000000000 ] - [ -0.0007707200000000, -0.0019159000000000, 0.0001636300000000 ] - [ 0.0007488800000000, -0.0006651700000000, 0.0003959200000000 ] - [ -0.0022816400000000, -0.0036064800000000, 0.0004948500000000 ] - [ 0.0005896200000000, -0.0010042000000000, 0.0013614500000000 ] - [ 0.0053283300000000, 0.0062288000000000, -0.0068553600000000 ] - [ 0.0011283300000000, 0.0009721500000000, 0.0002021400000000 ] - [ 0.0365723300000000, 0.0746090100000000, 0.0016717000000000 ] - [ 0.0024400600000000, 0.0021754600000000, 0.0000798900000000 ] - [ -0.0008554000000000, 0.0007434400000000, -0.0000241100000000 ] - [ 0.0140650800000000, -0.0060853800000000, -0.0048566400000000 ] - [ 0.0017018300000000, -0.0034065700000000, -0.0022973600000000 ] - [ 0.0014259300000000, 0.0010088600000000, 0.0010619900000000 ] - [ 0.0010421600000000, -0.0043283800000000, -0.0001777100000000 ] - [ 0.0006797600000000, -0.0018073500000000, 0.0001063600000000 ] - [ 0.0070368200000000, 0.0065629800000000, 0.0044039000000000 ] - [ 0.0019966300000000, 0.0016656300000000, 0.0018393800000000 ] - [ -0.0011879600000000, -0.0037934000000000, 0.0006856300000000 ] - [ 0.0003137500000000, -0.0006132200000000, 0.0000147600000000 ] - [ -0.0021604400000000, -0.0033994700000000, -0.0007034600000000 ] - [ 0.0000779600000000, -0.0010504500000000, 0.0007117100000000 ] - [ -0.0000477300000000, 0.0007614600000000, 0.0000566100000000 ] - [ 0.0118428300000000, -0.0030233300000000, 0.0096645000000000 ] - [ -0.0026417400000000, 0.0044808900000000, 0.0004415000000000 ] - [ 0.0136421800000000, 0.0145155300000000, 0.0006876900000000 ] - [ 0.0160570100000000, 0.0546705800000000, -0.0122411000000000 ] - [ 0.0004266200000000, 0.0006329500000000, -0.0006448600000000 ] - [ -0.0014140000000000, -0.0030434500000000, -0.0005606100000000 ] - [ 0.0005661900000000, -0.0007450900000000, 0.0010093200000000 ]- atom: 23 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000255500000000, -0.0027791600000000, -0.0007497000000000 ] - [ -0.0001919800000000, -0.0004082800000000, 0.0002086800000000 ] - [ -0.0005620400000000, 0.0027970000000000, -0.0000705900000000 ] - [ 0.0003845100000000, 0.0015520600000000, -0.0000425900000000 ] - [ -0.0058922000000000, 0.0005389900000000, -0.0003732400000000 ] - [ 0.0014218300000000, 0.0003505900000000, -0.0000133600000000 ] - [ -0.0078955000000000, -0.0073558500000000, -0.0006748400000000 ] - [ 0.0019441800000000, -0.0004666000000000, 0.0005374900000000 ] - [ 0.0020567500000000, -0.0092716800000000, -0.0021073500000000 ] - [ 0.0004769500000000, 0.0000287900000000, -0.0002102900000000 ] - [ -0.0009056100000000, 0.0030974600000000, -0.0024958300000000 ] - [ 0.0010184700000000, 0.0008482200000000, 0.0015413400000000 ] - [ 0.0015289000000000, 0.0003461800000000, 0.0019851600000000 ] - [ -0.0046149600000000, 0.0006569200000000, -0.0014044600000000 ] - [ -0.0004185300000000, -0.0031034500000000, 0.0004750100000000 ] - [ 0.0001001300000000, -0.0006411400000000, 0.0001066200000000 ] - [ -0.0002412000000000, -0.0003775200000000, -0.0000668100000000 ] - [ 0.0003874500000000, -0.0025932600000000, 0.0009189700000000 ] - [ 0.0013340500000000, -0.0017471300000000, 0.0002871500000000 ] - [ -0.0007164600000000, -0.0018127600000000, -0.0009318100000000 ] - [ 0.0083466200000000, 0.0255466900000000, 0.0013418900000000 ] - [ 0.0057391100000000, 0.0037386700000000, -0.0003363100000000 ] - [ -0.0318814900000000, 0.3001573700000000, 0.0196211100000000 ] - [ 0.0015605000000000, 0.0018328900000000, 0.0004261000000000 ] - [ 0.0004398200000000, -0.0054793500000000, -0.0002997100000000 ] - [ 0.0010070100000000, -0.0014714100000000, 0.0004228400000000 ] - [ -0.0001336200000000, -0.0034877200000000, -0.0000914400000000 ] - [ -0.0002703800000000, -0.0027889700000000, 0.0004962900000000 ] - [ 0.0256802800000000, -0.0075156000000000, -0.0204963200000000 ] - [ 0.0018756000000000, 0.0012217900000000, 0.0019634500000000 ] - [ 0.0433118800000000, -0.0043161500000000, 0.0302598300000000 ] - [ -0.0000288600000000, 0.0008619000000000, -0.0021399100000000 ] - [ -0.0010453000000000, 0.0017185600000000, 0.0011588800000000 ] - [ 0.0537472200000000, 0.0017128900000000, 0.0103975200000000 ] - [ -0.0025802300000000, -0.0066466000000000, -0.0007806800000000 ] - [ 0.0009408300000000, -0.0023190700000000, 0.0004096600000000 ] - [ -0.0017239300000000, -0.0044916000000000, -0.0021122500000000 ] - [ 0.0017325800000000, -0.0032025000000000, 0.0007704200000000 ] - [ -0.0021385000000000, -0.0052575500000000, 0.0012917400000000 ] - [ 0.0013081200000000, -0.0017218300000000, 0.0003602100000000 ] - [ 0.0455228100000000, -0.1104362700000000, -0.0148930600000000 ] - [ 0.0005317500000000, -0.0010608600000000, -0.0000180100000000 ] - [ 0.0005166000000000, 0.0017820900000000, -0.0002589200000000 ] - [ -0.0004803400000000, 0.0019101300000000, -0.0004725100000000 ] - [ -0.0085115900000000, -0.0083704000000000, -0.0075247300000000 ] - [ 0.0009947000000000, -0.0016316100000000, 0.0008820900000000 ] - [ -0.0111583700000000, -0.0075572500000000, 0.0044621900000000 ] - [ -0.0007006500000000, -0.0019790000000000, 0.0017358500000000 ] - [ -0.0092003000000000, -0.0444609200000000, -0.0181469800000000 ] - [ -0.0008102500000000, -0.0005568700000000, -0.0013398200000000 ] - [ 0.0007383500000000, 0.0018675100000000, 0.0008407000000000 ] - [ -0.0008430400000000, 0.0011789700000000, -0.0001072800000000 ] - [ 0.0006418000000000, 0.0019782000000000, 0.0010972600000000 ] - [ -0.0011056500000000, 0.0020545700000000, -0.0007618600000000 ] - [ 0.0006063700000000, 0.0040361200000000, 0.0001056000000000 ] - [ -0.0002556600000000, 0.0015439800000000, -0.0001856800000000 ] - [ 0.0003003500000000, 0.0025543700000000, -0.0006467400000000 ] - [ -0.0003080500000000, 0.0008635800000000, -0.0002370900000000 ] - [ -0.0006867500000000, 0.0014631600000000, -0.0003997100000000 ] - [ 0.0015895700000000, 0.0015907400000000, -0.0000339600000000 ] - [ 0.0000483000000000, 0.0026521900000000, 0.0012944000000000 ] - [ -0.0002814300000000, 0.0015962500000000, 0.0005538500000000 ] - [ -0.0064480500000000, 0.0073249800000000, -0.0075758500000000 ] - [ 0.0003768600000000, -0.0005722600000000, 0.0007653700000000 ] - [ 0.0005698600000000, 0.0020264700000000, 0.0002715600000000 ] - [ -0.0009581400000000, 0.0007738600000000, 0.0000447300000000 ] - [ 0.0025045600000000, 0.0038248700000000, 0.0002725500000000 ] - [ -0.0003600600000000, 0.0012354300000000, -0.0005979500000000 ] - [ -0.0052181600000000, -0.0059432300000000, 0.0061831300000000 ] - [ -0.0010034900000000, -0.0006541700000000, -0.0009095500000000 ] - [ -0.0370088300000000, -0.0732807000000000, -0.0016458300000000 ] - [ -0.0024719700000000, -0.0010011200000000, 0.0000262200000000 ] - [ 0.0006241700000000, -0.0005366600000000, -0.0007523300000000 ] - [ -0.0142294200000000, 0.0063059500000000, 0.0040534200000000 ] - [ -0.0014390400000000, 0.0039409000000000, 0.0024276700000000 ] - [ -0.0011151000000000, -0.0005748900000000, -0.0009778700000000 ] - [ -0.0015216300000000, 0.0040774500000000, 0.0002525300000000 ] - [ -0.0011529600000000, 0.0015480200000000, -0.0000347500000000 ] - [ -0.0067399000000000, -0.0064237600000000, -0.0048455500000000 ] - [ -0.0016808000000000, -0.0015728000000000, -0.0022897200000000 ] - [ 0.0008864900000000, 0.0036790700000000, -0.0002314500000000 ] - [ -0.0006273400000000, 0.0004733700000000, 0.0004515900000000 ] - [ 0.0012535700000000, 0.0030811300000000, 0.0018403600000000 ] - [ -0.0009842100000000, 0.0007299800000000, 0.0004139500000000 ] - [ 0.0009498000000000, -0.0010980900000000, -0.0011795700000000 ] - [ -0.0109880000000000, 0.0027228800000000, -0.0107963700000000 ] - [ 0.0030175900000000, -0.0047340300000000, -0.0005127800000000 ] - [ -0.0132822300000000, -0.0148346500000000, -0.0007652900000000 ] - [ -0.0152609400000000, -0.0522782800000000, 0.0093598900000000 ] - [ -0.0001686900000000, -0.0010163600000000, 0.0007842800000000 ] - [ 0.0010957300000000, 0.0031613800000000, 0.0010112200000000 ] - [ -0.0008957100000000, 0.0008447400000000, -0.0005721100000000 ]- atom: 23 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ -0.0003421200000000, 0.0008382900000000, 0.0008352000000000 ] - [ -0.0001682500000000, -0.0003825300000000, -0.0002492500000000 ] - [ 0.0008552900000000, -0.0028437400000000, 0.0034849300000000 ] - [ 0.0005117000000000, 0.0006788500000000, -0.0002572300000000 ] - [ -0.0060536700000000, -0.0027906300000000, 0.0047394500000000 ] - [ 0.0006110300000000, 0.0003315200000000, -0.0007366100000000 ] - [ 0.0019077900000000, -0.0027349900000000, -0.0020223200000000 ] - [ -0.0011722400000000, 0.0002065200000000, 0.0004327200000000 ] - [ 0.0009247100000000, 0.0018955300000000, -0.0067232000000000 ] - [ 0.0001468200000000, 0.0000533300000000, -0.0000393200000000 ] - [ -0.0018593400000000, 0.0007056200000000, 0.0046588300000000 ] - [ 0.0000142800000000, -0.0005403200000000, -0.0010071800000000 ] - [ -0.0018170200000000, 0.0003046900000000, 0.0023906700000000 ] - [ 0.0057847900000000, 0.0010739800000000, -0.0006622900000000 ] - [ -0.0019395300000000, 0.0000416500000000, 0.0015352300000000 ] - [ 0.0003730400000000, 0.0000932700000000, 0.0000210300000000 ] - [ -0.0002273600000000, -0.0003899900000000, 0.0005032100000000 ] - [ 0.0000982500000000, 0.0008999100000000, -0.0003311200000000 ] - [ 0.0009074000000000, -0.0008303400000000, 0.0001086000000000 ] - [ 0.0010080600000000, 0.0015553700000000, 0.0003436900000000 ] - [ -0.0249788000000000, 0.0147089300000000, -0.0099222000000000 ] - [ -0.0049818300000000, -0.0027581100000000, 0.0006084600000000 ] - [ 0.1621168000000000, -0.0312419800000000, -0.2197293600000000 ] - [ -0.0021330700000000, 0.0002687300000000, 0.0009824000000000 ] - [ 0.0001633600000000, 0.0006269600000000, -0.0007460600000000 ] - [ -0.0001883600000000, -0.0002169000000000, 0.0001234600000000 ] - [ 0.0005944800000000, -0.0000319700000000, -0.0006960200000000 ] - [ 0.0001256600000000, 0.0005613600000000, 0.0002357000000000 ] - [ -0.0402746400000000, 0.0230308700000000, 0.0533392900000000 ] - [ -0.0001680000000000, 0.0002779100000000, 0.0005400700000000 ] - [ 0.0470599100000000, -0.0113114600000000, 0.0299727300000000 ] - [ -0.0002806900000000, 0.0011285300000000, 0.0040511700000000 ] - [ -0.0048907400000000, -0.0024091900000000, 0.0011012700000000 ] - [ -0.0291368000000000, 0.0047973700000000, -0.0039192200000000 ] - [ 0.0005977900000000, 0.0014235900000000, -0.0031839800000000 ] - [ -0.0004967300000000, 0.0004559600000000, -0.0005429800000000 ] - [ 0.0015289800000000, -0.0000675900000000, -0.0002999700000000 ] - [ -0.0001021200000000, 0.0004467300000000, 0.0001125600000000 ] - [ 0.0014366500000000, -0.0010693400000000, -0.0014741200000000 ] - [ -0.0003936800000000, -0.0000386000000000, 0.0001725900000000 ] - [ -0.0364480600000000, 0.0328588700000000, 0.0345344600000000 ] - [ 0.0028406000000000, -0.0007355200000000, 0.0000766900000000 ] - [ -0.0006561900000000, 0.0002148200000000, 0.0008471500000000 ] - [ 0.0000647300000000, -0.0000892800000000, 0.0000858400000000 ] - [ -0.0079896400000000, -0.0033174900000000, -0.0076776900000000 ] - [ -0.0017303000000000, -0.0002583000000000, -0.0027146900000000 ] - [ -0.0131010800000000, -0.0070893000000000, 0.0100950600000000 ] - [ 0.0018628700000000, 0.0007133500000000, -0.0024269100000000 ] - [ -0.0029150700000000, 0.0114926500000000, 0.0521433000000000 ] - [ 0.0005599800000000, 0.0000087100000000, -0.0011041600000000 ] - [ -0.0004191200000000, 0.0002468900000000, 0.0002505400000000 ] - [ 0.0001762100000000, -0.0005230200000000, -0.0000738400000000 ] - [ -0.0007709600000000, -0.0000883300000000, -0.0000575400000000 ] - [ -0.0000378400000000, -0.0000602800000000, 0.0000488600000000 ] - [ -0.0003644500000000, 0.0003176300000000, 0.0005717300000000 ] - [ 0.0001434700000000, 0.0004731900000000, -0.0001356200000000 ] - [ -0.0001559900000000, -0.0004022900000000, 0.0002512500000000 ] - [ -0.0000057900000000, -0.0001529900000000, 0.0001497100000000 ] - [ -0.0004939100000000, -0.0007555400000000, 0.0002579900000000 ] - [ -0.0011830000000000, -0.0009900600000000, 0.0002320800000000 ] - [ -0.0000262700000000, 0.0005634400000000, 0.0001908300000000 ] - [ -0.0001205000000000, -0.0002790700000000, 0.0002505700000000 ] - [ -0.0055068500000000, 0.0077189900000000, -0.0108014400000000 ] - [ -0.0005174200000000, -0.0002015300000000, -0.0013724000000000 ] - [ -0.0001007200000000, 0.0014237800000000, -0.0004043800000000 ] - [ 0.0002054400000000, -0.0000883400000000, 0.0004323000000000 ] - [ -0.0011209000000000, -0.0016755600000000, 0.0025270400000000 ] - [ 0.0005143400000000, -0.0000627900000000, -0.0000417100000000 ] - [ 0.0080751700000000, 0.0027172300000000, -0.0149593000000000 ] - [ -0.0003460500000000, 0.0000859500000000, -0.0001951400000000 ] - [ -0.0590462300000000, -0.0142483800000000, 0.0402269400000000 ] - [ 0.0022161500000000, 0.0008635000000000, -0.0004226000000000 ] - [ 0.0015929800000000, 0.0015829300000000, 0.0002033300000000 ] - [ 0.0035607300000000, -0.0011618100000000, -0.0028219500000000 ] - [ 0.0053760200000000, -0.0095552400000000, -0.0102934000000000 ] - [ -0.0003521000000000, 0.0001505200000000, -0.0001626200000000 ] - [ -0.0001854600000000, -0.0010730100000000, 0.0005368800000000 ] - [ -0.0000349200000000, -0.0000757400000000, 0.0000663400000000 ] - [ 0.0131595300000000, -0.0043486600000000, -0.0002681300000000 ] - [ 0.0006747500000000, 0.0006868800000000, 0.0004138600000000 ] - [ -0.0011169800000000, -0.0003855800000000, 0.0012286300000000 ] - [ 0.0001428300000000, -0.0000372000000000, 0.0000249900000000 ] - [ 0.0006983100000000, 0.0007957300000000, 0.0010660300000000 ] - [ -0.0006007500000000, -0.0000491000000000, 0.0007654800000000 ] - [ 0.0017777600000000, 0.0004144900000000, -0.0016374300000000 ] - [ 0.0068428000000000, -0.0016130100000000, 0.0077535100000000 ] - [ 0.0055316300000000, 0.0005925200000000, 0.0001826200000000 ] - [ 0.0081825100000000, 0.0038627900000000, 0.0019836300000000 ] - [ -0.0336150900000000, -0.0142456900000000, 0.0430002700000000 ] - [ 0.0002172100000000, -0.0002071300000000, -0.0011456500000000 ] - [ -0.0007036200000000, -0.0008104400000000, 0.0002995800000000 ] - [ 0.0000874400000000, 0.0000480500000000, 0.0002682800000000 ]- atom: 23 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ 0.0000496100000000, -0.0008942000000000, -0.0007079500000000 ] - [ -0.0001241400000000, 0.0003249800000000, 0.0003730300000000 ] - [ -0.0011592400000000, 0.0027544400000000, -0.0028442800000000 ] - [ -0.0008331400000000, -0.0007604200000000, 0.0008852400000000 ] - [ 0.0060875700000000, 0.0027610500000000, -0.0050482000000000 ] - [ -0.0006038100000000, -0.0003991100000000, 0.0004379300000000 ] - [ -0.0022719600000000, 0.0027903400000000, 0.0026712500000000 ] - [ 0.0007897500000000, -0.0001611800000000, 0.0002218700000000 ] - [ -0.0005450600000000, -0.0018482400000000, 0.0060614400000000 ] - [ 0.0002341100000000, -0.0000066600000000, -0.0006165200000000 ] - [ 0.0018527200000000, -0.0008638500000000, -0.0048170500000000 ] - [ -0.0000145600000000, 0.0004054100000000, 0.0008666600000000 ] - [ 0.0021028100000000, -0.0003526700000000, -0.0025142700000000 ] - [ -0.0054849900000000, -0.0011270800000000, 0.0005382000000000 ] - [ 0.0019389600000000, -0.0001807900000000, -0.0013888000000000 ] - [ -0.0003723000000000, -0.0002264100000000, 0.0001250200000000 ] - [ 0.0002180600000000, 0.0003185100000000, -0.0002067300000000 ] - [ -0.0001079100000000, -0.0009684000000000, 0.0006274300000000 ] - [ -0.0005876100000000, 0.0007523900000000, -0.0007348200000000 ] - [ -0.0006937100000000, -0.0016321500000000, -0.0009706500000000 ] - [ 0.0247951500000000, -0.0151524800000000, 0.0097058700000000 ] - [ 0.0049016100000000, 0.0023273900000000, -0.0007001400000000 ] - [ -0.1634103900000000, 0.0263552800000000, 0.2183893100000000 ] - [ 0.0017762900000000, -0.0002641700000000, -0.0011653100000000 ] - [ -0.0000789500000000, -0.0010566200000000, 0.0008354300000000 ] - [ 0.0002719600000000, -0.0002147800000000, -0.0000341300000000 ] - [ -0.0002345900000000, 0.0000375000000000, 0.0008762800000000 ] - [ 0.0002316800000000, -0.0005546000000000, -0.0000548800000000 ] - [ 0.0395220700000000, -0.0229223300000000, -0.0527922100000000 ] - [ -0.0006478400000000, -0.0006089200000000, -0.0004840200000000 ] - [ -0.0473124400000000, 0.0112299800000000, -0.0301404200000000 ] - [ -0.0000001500000000, -0.0014622600000000, -0.0041440700000000 ] - [ 0.0045788000000000, 0.0034172300000000, -0.0009309500000000 ] - [ 0.0288417400000000, -0.0039352500000000, 0.0041125900000000 ] - [ -0.0002687200000000, -0.0004307000000000, 0.0029911100000000 ] - [ 0.0008245500000000, 0.0005343400000000, 0.0003572100000000 ] - [ -0.0007115500000000, -0.0002759300000000, 0.0002463200000000 ] - [ 0.0009144100000000, -0.0007815800000000, -0.0001696000000000 ] - [ -0.0011475800000000, 0.0007129300000000, 0.0015578400000000 ] - [ 0.0006746600000000, -0.0003026300000000, -0.0000796700000000 ] - [ 0.0385219000000000, -0.0346527800000000, -0.0338504100000000 ] - [ -0.0013087500000000, -0.0003078200000000, 0.0002998000000000 ] - [ 0.0003008300000000, 0.0002847400000000, -0.0004702400000000 ] - [ -0.0004194500000000, 0.0005868500000000, 0.0002913500000000 ] - [ 0.0079768500000000, 0.0029720400000000, 0.0074251300000000 ] - [ 0.0016864900000000, -0.0000515700000000, 0.0024412000000000 ] - [ 0.0134520600000000, 0.0069218400000000, -0.0105484700000000 ] - [ -0.0015545000000000, -0.0008528900000000, 0.0019607200000000 ] - [ 0.0038871900000000, -0.0087674000000000, -0.0483303600000000 ] - [ -0.0002056800000000, 0.0004894600000000, 0.0007288700000000 ] - [ 0.0001555500000000, -0.0006270700000000, -0.0003854600000000 ] - [ -0.0004369200000000, 0.0001397500000000, -0.0000630700000000 ] - [ 0.0004545600000000, 0.0005300300000000, -0.0000327900000000 ] - [ -0.0002791400000000, 0.0004947800000000, -0.0001376800000000 ] - [ 0.0003824900000000, 0.0008547300000000, -0.0006743600000000 ] - [ -0.0001241800000000, 0.0007002600000000, 0.0000325300000000 ] - [ 0.0001946100000000, 0.0001070500000000, 0.0000162400000000 ] - [ 0.0000461000000000, -0.0001509900000000, 0.0001197100000000 ] - [ -0.0010402700000000, -0.0002867800000000, -0.0006332400000000 ] - [ -0.0003513300000000, -0.0000512400000000, -0.0006064900000000 ] - [ -0.0001036900000000, -0.0002365500000000, 0.0005147000000000 ] - [ -0.0000083100000000, 0.0006013400000000, 0.0004550200000000 ] - [ 0.0056302500000000, -0.0075506600000000, 0.0102778900000000 ] - [ 0.0007228700000000, 0.0003030400000000, 0.0009317500000000 ] - [ -0.0001074600000000, -0.0013035100000000, 0.0008468100000000 ] - [ -0.0004103000000000, 0.0001935700000000, 0.0000091400000000 ] - [ 0.0013476300000000, 0.0018942400000000, -0.0017530500000000 ] - [ -0.0002844700000000, 0.0002863700000000, 0.0008084400000000 ] - [ -0.0079797800000000, -0.0024647200000000, 0.0142533100000000 ] - [ 0.0004767800000000, 0.0002354500000000, -0.0005104100000000 ] - [ 0.0582095300000000, 0.0152005200000000, -0.0404611400000000 ] - [ -0.0022348000000000, 0.0003117200000000, 0.0005269600000000 ] - [ -0.0018303300000000, -0.0013628900000000, -0.0009731900000000 ] - [ -0.0037081200000000, 0.0013717900000000, 0.0020037200000000 ] - [ -0.0051355300000000, 0.0100680600000000, 0.0104296400000000 ] - [ 0.0006683400000000, 0.0002809200000000, 0.0002496100000000 ] - [ -0.0002852300000000, 0.0008087400000000, -0.0004643400000000 ] - [ -0.0004365900000000, -0.0001883000000000, 0.0000054800000000 ] - [ -0.0128317800000000, 0.0044398800000000, -0.0001648100000000 ] - [ -0.0003465400000000, -0.0005899400000000, -0.0008531300000000 ] - [ 0.0008044400000000, 0.0002470800000000, -0.0007581800000000 ] - [ -0.0004535100000000, -0.0001027100000000, 0.0004408100000000 ] - [ -0.0016034800000000, -0.0011200200000000, 0.0000654100000000 ] - [ -0.0003057000000000, -0.0002752200000000, 0.0003626700000000 ] - [ -0.0008686800000000, -0.0007379300000000, 0.0005189500000000 ] - [ -0.0059362200000000, 0.0013006500000000, -0.0088546900000000 ] - [ -0.0051409200000000, -0.0008235400000000, -0.0002419900000000 ] - [ -0.0077048800000000, -0.0041034300000000, -0.0020628600000000 ] - [ 0.0345164100000000, 0.0168606100000000, -0.0461126000000000 ] - [ 0.0000429700000000, -0.0001763200000000, 0.0012826300000000 ] - [ 0.0003759300000000, 0.0009094900000000, 0.0001374500000000 ] - [ -0.0004131300000000, 0.0000509200000000, 0.0001716200000000 ]- atom: 29 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ -0.0004706600000000, -0.0000718300000000, -0.0004880200000000 ] - [ 0.0002848700000000, 0.0002911300000000, 0.0006068900000000 ] - [ -0.0021783800000000, -0.0035268500000000, 0.0033765100000000 ] - [ 0.0008549600000000, 0.0007572200000000, 0.0007970700000000 ] - [ -0.0038357900000000, -0.0018938500000000, -0.0015594600000000 ] - [ 0.0027295900000000, -0.0004740600000000, 0.0018824000000000 ] - [ -0.0021104600000000, 0.0006176200000000, 0.0000926600000000 ] - [ 0.0010349600000000, -0.0002270000000000, 0.0006330100000000 ] - [ -0.0097820600000000, 0.0036400700000000, -0.0056266200000000 ] - [ 0.0018998700000000, 0.0002487900000000, 0.0005636600000000 ] - [ 0.0005073100000000, 0.0047700500000000, -0.0036754700000000 ] - [ 0.0017946800000000, -0.0007834000000000, 0.0008230900000000 ] - [ 0.0117954700000000, -0.0015387100000000, -0.0006644700000000 ] - [ 0.0133153000000000, 0.0030097900000000, 0.0002257500000000 ] - [ -0.0035432500000000, -0.0012029700000000, -0.0013757200000000 ] - [ 0.0014697500000000, 0.0002610100000000, 0.0007243100000000 ] - [ -0.0000140900000000, 0.0006022900000000, -0.0001445000000000 ] - [ 0.0001795300000000, -0.0005398400000000, 0.0004646500000000 ] - [ 0.0010100900000000, -0.0011029700000000, -0.0001502200000000 ] - [ 0.0013166400000000, 0.0031256600000000, 0.0007870600000000 ] - [ 0.0072197500000000, 0.0332317500000000, 0.0547921400000000 ] - [ 0.0041745500000000, -0.0004366500000000, 0.0018492500000000 ] - [ -0.0230980100000000, -0.0260204500000000, -0.0549318300000000 ] - [ 0.0048092500000000, -0.0022807500000000, 0.0025129900000000 ] - [ -0.0026058800000000, 0.0002883500000000, -0.0009756600000000 ] - [ 0.0025561400000000, -0.0005841200000000, 0.0009398000000000 ] - [ -0.0035654000000000, -0.0021222200000000, -0.0004232100000000 ] - [ 0.0025504300000000, 0.0013272800000000, 0.0006397800000000 ] - [ -0.4620987700000000, -0.0668282500000000, 0.0080629700000000 ] - [ 0.0055868100000000, -0.0001104300000000, 0.0024385100000000 ] - [ -0.0205868300000000, 0.0038546600000000, -0.0070874200000000 ] - [ 0.0055361500000000, 0.0024310900000000, 0.0082797000000000 ] - [ 0.0073869600000000, 0.0112379400000000, 0.0027855700000000 ] - [ 0.0079206800000000, -0.0045472800000000, -0.0037140000000000 ] - [ 0.0030030400000000, 0.0055287700000000, -0.0032536900000000 ] - [ 0.0016596200000000, -0.0042168500000000, 0.0030251400000000 ] - [ -0.0019850900000000, 0.0002072300000000, -0.0016785900000000 ] - [ 0.0023672000000000, -0.0001413800000000, 0.0015773300000000 ] - [ -0.0029863700000000, 0.0012692000000000, -0.0010300500000000 ] - [ 0.0024041800000000, -0.0001243400000000, 0.0009495600000000 ] - [ -0.0028059000000000, 0.0080121200000000, 0.0092525100000000 ] - [ -0.0048697500000000, -0.0000573600000000, -0.0007215700000000 ] - [ 0.0009647900000000, 0.0004301800000000, 0.0002692100000000 ] - [ -0.0010428500000000, 0.0001307300000000, -0.0000976700000000 ] - [ 0.0020491600000000, -0.0010697000000000, 0.0032178800000000 ] - [ -0.0037830000000000, -0.0005060700000000, -0.0057769300000000 ] - [ 0.0065360900000000, -0.0003090700000000, -0.0185383100000000 ] - [ -0.0009784000000000, 0.0000555500000000, -0.0021071600000000 ] - [ 0.1509366600000000, -0.0256283600000000, -0.0667363700000000 ] - [ -0.0030955900000000, 0.0003262300000000, -0.0010039600000000 ] - [ 0.0016228200000000, 0.0001176200000000, 0.0010874800000000 ] - [ -0.0015347800000000, -0.0005826100000000, -0.0010631700000000 ] - [ 0.0004119200000000, -0.0006450500000000, 0.0005790200000000 ] - [ -0.0006458500000000, 0.0008120300000000, -0.0006247900000000 ] - [ 0.0026462100000000, 0.0005659100000000, 0.0005936000000000 ] - [ -0.0020816000000000, 0.0004156800000000, -0.0004512900000000 ] - [ 0.0009551500000000, -0.0019398000000000, 0.0008388200000000 ] - [ -0.0007251300000000, 0.0001788400000000, -0.0003577500000000 ] - [ 0.0001295300000000, 0.0026321600000000, -0.0008680600000000 ] - [ -0.0034707400000000, -0.0023302400000000, 0.0000170900000000 ] - [ 0.0006571400000000, 0.0004318900000000, 0.0008759200000000 ] - [ -0.0007137300000000, -0.0002974100000000, -0.0002676300000000 ] - [ 0.0024869100000000, 0.0005548700000000, 0.0037217800000000 ] - [ -0.0023241800000000, -0.0009413300000000, -0.0024962800000000 ] - [ 0.0013271900000000, -0.0012518900000000, 0.0004792400000000 ] - [ -0.0010889200000000, 0.0000280300000000, -0.0002990300000000 ] - [ -0.0022920000000000, -0.0046702600000000, 0.0026796600000000 ] - [ -0.0018762100000000, 0.0030268000000000, -0.0012367000000000 ] - [ 0.0706834900000000, 0.0451608300000000, -0.0390520600000000 ] - [ -0.0019674200000000, 0.0002194300000000, -0.0014610100000000 ] - [ 0.0297100700000000, -0.0072853700000000, -0.0013638000000000 ] - [ -0.0036376400000000, 0.0013634400000000, -0.0010119200000000 ] - [ -0.0003017400000000, -0.0028778000000000, -0.0022630800000000 ] - [ -0.0018142600000000, 0.0015695200000000, 0.0019949500000000 ] - [ 0.0770945000000000, 0.0696648500000000, 0.0283700300000000 ] - [ -0.0019486400000000, -0.0002706600000000, -0.0010219800000000 ] - [ 0.0010472600000000, -0.0026289700000000, 0.0005727900000000 ] - [ -0.0018374300000000, 0.0018299200000000, -0.0004070900000000 ] - [ 0.1551382400000000, -0.0257332900000000, 0.0728009900000000 ] - [ -0.0038078600000000, -0.0000732600000000, -0.0027060200000000 ] - [ 0.0012643500000000, 0.0000336900000000, 0.0001429200000000 ] - [ -0.0013673600000000, -0.0002665700000000, 0.0002347200000000 ] - [ -0.0002259400000000, -0.0015658600000000, 0.0008782100000000 ] - [ -0.0015517500000000, 0.0006977000000000, -0.0008556000000000 ] - [ -0.0014103300000000, -0.0034455100000000, -0.0009556700000000 ] - [ -0.0017648200000000, 0.0022046400000000, -0.0002422100000000 ] - [ -0.0099902900000000, -0.0108733600000000, -0.0068783300000000 ] - [ -0.0034471700000000, 0.0006441600000000, 0.0014860800000000 ] - [ 0.0100543300000000, -0.0045286800000000, 0.0221764800000000 ] - [ -0.0036794700000000, 0.0006704500000000, -0.0040859400000000 ] - [ 0.0016288000000000, -0.0000569400000000, 0.0017777200000000 ] - [ -0.0017706200000000, 0.0001324200000000, -0.0011466100000000 ]- atom: 29 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ 0.0001744100000000, 0.0000152400000000, 0.0006068800000000 ] - [ -0.0005750400000000, -0.0003512200000000, -0.0004829000000000 ] - [ 0.0018419400000000, 0.0034224200000000, -0.0027460800000000 ] - [ -0.0011732700000000, -0.0008398100000000, -0.0001716900000000 ] - [ 0.0038411400000000, 0.0018162900000000, 0.0011850300000000 ] - [ -0.0027155400000000, 0.0004097400000000, -0.0021766100000000 ] - [ 0.0017372100000000, -0.0005783400000000, 0.0005713200000000 ] - [ -0.0014197700000000, 0.0002699900000000, 0.0000215800000000 ] - [ 0.0101235400000000, -0.0036201800000000, 0.0050201000000000 ] - [ -0.0015204100000000, -0.0001977300000000, -0.0012191500000000 ] - [ -0.0004974500000000, -0.0049452200000000, 0.0035435100000000 ] - [ -0.0017946100000000, 0.0006395300000000, -0.0009743500000000 ] - [ -0.0115961600000000, 0.0015042500000000, 0.0005224700000000 ] - [ -0.0128776300000000, -0.0030328900000000, -0.0003745000000000 ] - [ 0.0035632000000000, 0.0010699700000000, 0.0015156500000000 ] - [ -0.0014670900000000, -0.0003896000000000, -0.0005786600000000 ] - [ 0.0000098600000000, -0.0006755400000000, 0.0004442200000000 ] - [ -0.0001934200000000, 0.0004694100000000, -0.0001684300000000 ] - [ -0.0006909600000000, 0.0010338700000000, -0.0004734500000000 ] - [ -0.0010157600000000, -0.0031793800000000, -0.0014086500000000 ] - [ -0.0074770200000000, -0.0335881100000000, -0.0551434200000000 ] - [ -0.0042751500000000, -0.0000002300000000, -0.0019495800000000 ] - [ 0.0229190500000000, 0.0259627900000000, 0.0545853900000000 ] - [ -0.0051707500000000, 0.0022762900000000, -0.0026903800000000 ] - [ 0.0026810600000000, -0.0007208600000000, 0.0010709900000000 ] - [ -0.0024702600000000, 0.0001521300000000, -0.0008511500000000 ] - [ 0.0039344600000000, 0.0021259600000000, 0.0006153600000000 ] - [ -0.0021978700000000, -0.0013211700000000, -0.0004612000000000 ] - [ 0.4631590900000000, 0.0670785800000000, 0.0066214400000000 ] - [ -0.0064020200000000, -0.0002183800000000, -0.0023788200000000 ] - [ 0.0203204200000000, -0.0041802300000000, 0.0070485000000000 ] - [ -0.0058330500000000, -0.0027152600000000, -0.0083058700000000 ] - [ -0.0077173100000000, -0.0102634900000000, -0.0026109900000000 ] - [ -0.0082824100000000, 0.0055306900000000, 0.0038655200000000 ] - [ -0.0026816600000000, -0.0045298700000000, 0.0030243400000000 ] - [ -0.0013006200000000, 0.0052173900000000, -0.0032128500000000 ] - [ 0.0028088800000000, -0.0005518000000000, 0.0016285400000000 ] - [ -0.0015610700000000, -0.0001944400000000, -0.0016360600000000 ] - [ 0.0032709300000000, -0.0016112700000000, 0.0011427700000000 ] - [ -0.0021242200000000, -0.0002189900000000, -0.0008593300000000 ] - [ 0.0043534500000000, -0.0091098400000000, -0.0089093600000000 ] - [ 0.0063964000000000, -0.0009775300000000, 0.0010975900000000 ] - [ -0.0013227700000000, 0.0000697400000000, 0.0001050200000000 ] - [ 0.0006927900000000, 0.0003658100000000, 0.0004784200000000 ] - [ -0.0020833200000000, 0.0007409700000000, -0.0035323100000000 ] - [ 0.0037179800000000, 0.0001888900000000, 0.0054456300000000 ] - [ -0.0062064600000000, 0.0001712600000000, 0.0180314500000000 ] - [ 0.0013139900000000, -0.0002002400000000, 0.0016353400000000 ] - [ -0.1451456200000000, 0.0235429700000000, 0.0603717200000000 ] - [ 0.0034528200000000, 0.0001711100000000, 0.0006233300000000 ] - [ -0.0018913400000000, -0.0005021000000000, -0.0012360100000000 ] - [ 0.0012763700000000, 0.0002002400000000, 0.0009267800000000 ] - [ -0.0007351700000000, 0.0010903000000000, -0.0006696300000000 ] - [ 0.0003332700000000, -0.0003729600000000, 0.0005384500000000 ] - [ -0.0026283500000000, 0.0006175500000000, -0.0007039700000000 ] - [ 0.0021014700000000, 0.0007588200000000, 0.0003475300000000 ] - [ -0.0009101200000000, 0.0016446800000000, -0.0005698700000000 ] - [ 0.0007656400000000, -0.0004869200000000, 0.0006294300000000 ] - [ -0.0016833800000000, -0.0036734200000000, 0.0004853700000000 ] - [ 0.0019444500000000, 0.0012916300000000, -0.0003863200000000 ] - [ -0.0007912400000000, -0.0001118000000000, -0.0001747500000000 ] - [ 0.0005889600000000, 0.0006139300000000, 0.0009713000000000 ] - [ -0.0022776700000000, -0.0004439900000000, -0.0042034500000000 ] - [ 0.0025266100000000, 0.0010337100000000, 0.0020412500000000 ] - [ -0.0015379700000000, 0.0013476900000000, -0.0000420100000000 ] - [ 0.0008831400000000, 0.0000820500000000, 0.0007408600000000 ] - [ 0.0025205300000000, 0.0048660100000000, -0.0018802600000000 ] - [ 0.0020993800000000, -0.0028156900000000, 0.0020161400000000 ] - [ -0.0696658500000000, -0.0439982600000000, 0.0373862700000000 ] - [ 0.0020933200000000, 0.0000984700000000, 0.0007582000000000 ] - [ -0.0297046000000000, 0.0085910300000000, 0.0015903300000000 ] - [ 0.0036281800000000, -0.0001842400000000, 0.0011155400000000 ] - [ 0.0000722900000000, 0.0031047100000000, 0.0014929100000000 ] - [ 0.0015957800000000, -0.0013466900000000, -0.0027533600000000 ] - [ -0.0777477300000000, -0.0694332700000000, -0.0285069100000000 ] - [ 0.0022664900000000, 0.0007031100000000, 0.0011078400000000 ] - [ -0.0015140600000000, 0.0023632200000000, -0.0004941900000000 ] - [ 0.0013579900000000, -0.0020946400000000, 0.0004790700000000 ] - [ -0.1620519800000000, 0.0271458300000000, -0.0802334800000000 ] - [ 0.0041343000000000, 0.0001714800000000, 0.0022702100000000 ] - [ -0.0015692800000000, -0.0001735300000000, 0.0003146300000000 ] - [ 0.0010555200000000, 0.0001271800000000, 0.0002298500000000 ] - [ -0.0006773400000000, 0.0012526600000000, 0.0002785700000000 ] - [ 0.0006381100000000, -0.0010259300000000, 0.0019782700000000 ] - [ 0.0023161100000000, 0.0031328400000000, -0.0001683600000000 ] - [ 0.0026760500000000, -0.0025218800000000, -0.0008675200000000 ] - [ 0.0104384800000000, 0.0105876800000000, 0.0068205000000000 ] - [ 0.0039337700000000, -0.0008958200000000, -0.0015398700000000 ] - [ -0.0098111800000000, 0.0041573000000000, -0.0220528300000000 ] - [ 0.0039378400000000, -0.0010591400000000, 0.0042087400000000 ] - [ -0.0019580000000000, 0.0001579000000000, -0.0013419400000000 ] - [ 0.0014472800000000, -0.0000334100000000, 0.0015903700000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001252500000000, 0.0027329100000000, -0.0001633500000000 ] - [ -0.0000772300000000, 0.0007475500000000, 0.0000285000000000 ] - [ -0.0071699200000000, 0.0084659400000000, -0.0041707500000000 ] - [ 0.0007050700000000, 0.0005157900000000, 0.0005965100000000 ] - [ -0.0027837600000000, -0.0131417800000000, 0.0067220200000000 ] - [ 0.0003605700000000, -0.0008251900000000, -0.0002295000000000 ] - [ 0.0004848000000000, 0.0031049100000000, 0.0016778800000000 ] - [ -0.0010692900000000, 0.0009314000000000, 0.0000768500000000 ] - [ 0.0038827700000000, 0.0054897800000000, -0.0181099500000000 ] - [ 0.0003356600000000, -0.0006167800000000, 0.0000105500000000 ] - [ 0.0069121400000000, 0.0073780700000000, -0.0019056300000000 ] - [ -0.0008273300000000, 0.0001909700000000, -0.0005915000000000 ] - [ -0.0013333900000000, -0.0028795900000000, 0.0005272000000000 ] - [ 0.0029280700000000, -0.0063962500000000, -0.0028311300000000 ] - [ -0.0063993700000000, 0.0081082600000000, 0.0040093800000000 ] - [ 0.0007232200000000, 0.0000945400000000, 0.0001814100000000 ] - [ 0.0002181700000000, 0.0013894600000000, 0.0002737500000000 ] - [ -0.0000570500000000, 0.0019255600000000, 0.0001325700000000 ] - [ -0.0003738300000000, -0.0000988300000000, -0.0003026200000000 ] - [ 0.0063776400000000, 0.0079389100000000, 0.0023563000000000 ] - [ 0.0119661300000000, -0.0158615900000000, -0.0059369200000000 ] - [ -0.0043654300000000, -0.0042867900000000, 0.0002736600000000 ] - [ -0.0074670800000000, 0.0074230500000000, 0.0217767500000000 ] - [ -0.0007562000000000, -0.0013789300000000, 0.0001298000000000 ] - [ -0.0004408500000000, 0.0047552900000000, 0.0000396700000000 ] - [ -0.0002745200000000, 0.0011871800000000, 0.0001351400000000 ] - [ -0.0013302800000000, 0.0043167300000000, -0.0007355900000000 ] - [ 0.0018573900000000, 0.0030330100000000, 0.0001990900000000 ] - [ -0.0695958000000000, -0.7293754600000000, 0.0312482200000000 ] - [ -0.0003581500000000, -0.0021967600000000, -0.0002236200000000 ] - [ 0.0067649800000000, -0.0152781200000000, 0.0024452500000000 ] - [ 0.0008730000000000, -0.0114785800000000, 0.0010927100000000 ] - [ 0.0018371300000000, -0.0028700000000000, 0.0041106900000000 ] - [ -0.0051750300000000, 0.0016628700000000, -0.0022098600000000 ] - [ 0.0039617100000000, 0.0071284500000000, 0.0017667600000000 ] - [ -0.0035033100000000, 0.0009737900000000, -0.0016772000000000 ] - [ 0.0000273400000000, 0.0046151800000000, -0.0008941700000000 ] - [ 0.0003812800000000, 0.0043117100000000, -0.0002792000000000 ] - [ -0.0015991300000000, 0.0123343200000000, 0.0009618600000000 ] - [ 0.0003709600000000, 0.0017415000000000, 0.0006529800000000 ] - [ 0.0033584200000000, -0.0006857100000000, 0.0014567200000000 ] - [ 0.0002162000000000, 0.0005386700000000, -0.0004475500000000 ] - [ -0.0000225900000000, -0.0016881700000000, 0.0014631500000000 ] - [ -0.0007107900000000, -0.0015616700000000, 0.0007514000000000 ] - [ -0.0042656100000000, 0.0041148900000000, 0.0001683900000000 ] - [ 0.0033223300000000, 0.0052550100000000, 0.0022751800000000 ] - [ -0.0018047900000000, 0.0044147700000000, 0.0009921200000000 ] - [ 0.0004624900000000, 0.0037384300000000, -0.0020862300000000 ] - [ -0.0302418800000000, 0.0663379300000000, 0.0320807100000000 ] - [ 0.0001773600000000, 0.0010515500000000, -0.0000205700000000 ] - [ 0.0000976500000000, -0.0036244800000000, -0.0013908100000000 ] - [ -0.0004243300000000, -0.0016871100000000, -0.0007845800000000 ] - [ -0.0004178700000000, -0.0028616400000000, 0.0005154900000000 ] - [ 0.0008365900000000, -0.0026497200000000, 0.0006773100000000 ] - [ 0.0003063700000000, -0.0034334900000000, 0.0009786400000000 ] - [ -0.0006405200000000, -0.0003127300000000, -0.0001638600000000 ] - [ 0.0007449700000000, -0.0082695200000000, 0.0012933400000000 ] - [ -0.0000024500000000, -0.0009243900000000, 0.0002422300000000 ] - [ 0.0015791400000000, -0.0021928400000000, 0.0014981500000000 ] - [ -0.0046994300000000, -0.0032639100000000, -0.0007164100000000 ] - [ 0.0008841000000000, -0.0020845100000000, -0.0000910800000000 ] - [ -0.0005909400000000, -0.0021525000000000, -0.0004396300000000 ] - [ 0.0031743000000000, 0.0065294800000000, -0.0035778200000000 ] - [ -0.0030775200000000, 0.0044135600000000, -0.0026852300000000 ] - [ 0.0005340800000000, -0.0089849400000000, -0.0010220700000000 ] - [ 0.0000391100000000, -0.0010742000000000, -0.0000974500000000 ] - [ -0.0040651600000000, -0.0011825300000000, 0.0027554900000000 ] - [ 0.0012843800000000, 0.0002329200000000, 0.0008653300000000 ] - [ 0.0439854800000000, 0.2464858500000000, -0.1674246100000000 ] - [ 0.0000137900000000, 0.0009660300000000, -0.0005720300000000 ] - [ -0.0079071500000000, 0.0069277600000000, -0.0050099200000000 ] - [ 0.0012832900000000, 0.0018330900000000, 0.0000321400000000 ] - [ -0.0008841200000000, 0.0001399000000000, -0.0012123500000000 ] - [ 0.0011274300000000, -0.0019847800000000, 0.0012477300000000 ] - [ 0.0731642100000000, 0.3399209100000000, 0.1124128400000000 ] - [ 0.0001875500000000, 0.0014504900000000, 0.0003115900000000 ] - [ 0.0007884100000000, -0.0044316500000000, -0.0005401300000000 ] - [ 0.0009066000000000, -0.0014019300000000, 0.0001495900000000 ] - [ -0.0198164300000000, 0.0614442100000000, -0.0065816500000000 ] - [ 0.0007015400000000, 0.0014537400000000, 0.0002232000000000 ] - [ 0.0002507200000000, -0.0037176400000000, -0.0007940600000000 ] - [ -0.0002404900000000, -0.0009633600000000, -0.0001442600000000 ] - [ -0.0005384900000000, -0.0029470600000000, -0.0039315700000000 ] - [ -0.0000275500000000, 0.0001771800000000, 0.0012971600000000 ] - [ -0.0017645700000000, -0.0005852600000000, -0.0030522800000000 ] - [ 0.0024895500000000, -0.0013755300000000, 0.0003527800000000 ] - [ 0.0033183400000000, 0.0054908800000000, 0.0030702900000000 ] - [ 0.0044004400000000, 0.0019846300000000, 0.0008067900000000 ] - [ -0.0034792600000000, 0.0066116500000000, -0.0075161600000000 ] - [ 0.0002814400000000, 0.0021446500000000, -0.0005045300000000 ] - [ -0.0000349100000000, -0.0023759000000000, 0.0012405900000000 ] - [ -0.0001452800000000, -0.0010534700000000, 0.0004839900000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001641400000000, -0.0027907600000000, 0.0002958700000000 ] - [ -0.0002190200000000, -0.0008035300000000, 0.0000930700000000 ] - [ 0.0069210900000000, -0.0085797200000000, 0.0048628300000000 ] - [ -0.0010273800000000, -0.0005862500000000, 0.0000264200000000 ] - [ 0.0027960500000000, 0.0130474900000000, -0.0070060100000000 ] - [ -0.0003524800000000, 0.0007569800000000, -0.0000691100000000 ] - [ -0.0008684300000000, -0.0030737500000000, -0.0010364100000000 ] - [ 0.0006880200000000, -0.0008815600000000, 0.0005793200000000 ] - [ -0.0034464200000000, -0.0053763100000000, 0.0172521600000000 ] - [ 0.0000419800000000, 0.0006580200000000, -0.0006688900000000 ] - [ -0.0069754900000000, -0.0075326100000000, 0.0018055300000000 ] - [ 0.0008272700000000, -0.0003176700000000, 0.0004495300000000 ] - [ 0.0016421400000000, 0.0028159200000000, -0.0006414700000000 ] - [ -0.0026526800000000, 0.0063259300000000, 0.0027169900000000 ] - [ 0.0063692300000000, -0.0082039500000000, -0.0038156600000000 ] - [ -0.0007240700000000, -0.0002345200000000, -0.0000356900000000 ] - [ -0.0002336800000000, -0.0014600100000000, 0.0000222400000000 ] - [ 0.0000525600000000, -0.0019944000000000, 0.0001644300000000 ] - [ 0.0006901600000000, 0.0000165400000000, -0.0003237800000000 ] - [ -0.0060307600000000, -0.0080021400000000, -0.0029521600000000 ] - [ -0.0120698600000000, 0.0156296100000000, 0.0058340800000000 ] - [ 0.0042703300000000, 0.0038653700000000, -0.0003824800000000 ] - [ 0.0072541800000000, -0.0072046400000000, -0.0220669400000000 ] - [ 0.0003866100000000, 0.0013991200000000, -0.0003154900000000 ] - [ 0.0005460300000000, -0.0051906700000000, 0.0000431900000000 ] - [ 0.0003523600000000, -0.0016204900000000, -0.0000456200000000 ] - [ 0.0016836700000000, -0.0043101700000000, 0.0009052800000000 ] - [ -0.0015007300000000, -0.0030322900000000, -0.0000166600000000 ] - [ 0.0646600200000000, 0.7183106800000000, -0.0510731300000000 ] - [ -0.0004655600000000, 0.0018610600000000, 0.0002727800000000 ] - [ -0.0069913800000000, 0.0149433700000000, -0.0025540900000000 ] - [ -0.0012102500000000, 0.0111466800000000, -0.0012102000000000 ] - [ -0.0021887700000000, 0.0038878100000000, -0.0039444900000000 ] - [ 0.0048709700000000, -0.0006164200000000, 0.0023890800000000 ] - [ -0.0036209800000000, -0.0061523000000000, -0.0019762700000000 ] - [ 0.0037990800000000, -0.0000014300000000, 0.0014810800000000 ] - [ 0.0007846800000000, -0.0049552300000000, 0.0008325300000000 ] - [ 0.0004345800000000, -0.0046562500000000, 0.0002235300000000 ] - [ 0.0018926200000000, -0.0127094700000000, -0.0009037300000000 ] - [ -0.0000925100000000, -0.0020808700000000, -0.0005604200000000 ] - [ -0.0018614800000000, -0.0003918400000000, -0.0010663600000000 ] - [ 0.0013283500000000, -0.0015932500000000, 0.0008292500000000 ] - [ -0.0003286400000000, 0.0021803200000000, -0.0010771600000000 ] - [ 0.0003560200000000, 0.0020579500000000, -0.0003743000000000 ] - [ 0.0042046900000000, -0.0044524300000000, -0.0004401900000000 ] - [ -0.0033456200000000, -0.0055976600000000, -0.0025477300000000 ] - [ 0.0021150500000000, -0.0045665900000000, -0.0014920100000000 ] - [ -0.0001335100000000, -0.0038797300000000, 0.0016467800000000 ] - [ 0.0309054900000000, -0.0654911200000000, -0.0324822300000000 ] - [ 0.0001770100000000, -0.0005608600000000, -0.0003583200000000 ] - [ -0.0003582100000000, 0.0032484800000000, 0.0012620300000000 ] - [ 0.0001630000000000, 0.0013034700000000, 0.0006464300000000 ] - [ 0.0001037700000000, 0.0033042000000000, -0.0006035600000000 ] - [ -0.0011598000000000, 0.0030945900000000, -0.0007701000000000 ] - [ -0.0002966700000000, 0.0046041600000000, -0.0010757300000000 ] - [ 0.0006597800000000, 0.0014956500000000, 0.0000586900000000 ] - [ -0.0007123000000000, 0.0079604300000000, -0.0010216400000000 ] - [ 0.0000453800000000, 0.0006118400000000, 0.0000343200000000 ] - [ -0.0030865900000000, 0.0011522000000000, -0.0018635300000000 ] - [ 0.0031659900000000, 0.0022277600000000, 0.0003420400000000 ] - [ -0.0010079700000000, 0.0024007600000000, 0.0007928500000000 ] - [ 0.0004626700000000, 0.0024710600000000, 0.0011406900000000 ] - [ -0.0029753600000000, -0.0063830900000000, 0.0031264500000000 ] - [ 0.0033040100000000, -0.0042905500000000, 0.0022463100000000 ] - [ -0.0007422600000000, 0.0091532600000000, 0.0014699200000000 ] - [ -0.0002443500000000, 0.0011865100000000, 0.0005405800000000 ] - [ 0.0042737800000000, 0.0014072000000000, -0.0019646500000000 ] - [ -0.0010491100000000, -0.0000021400000000, -0.0000922900000000 ] - [ -0.0463551200000000, -0.2538717500000000, 0.1770042700000000 ] - [ 0.0001167200000000, -0.0006564900000000, -0.0001273200000000 ] - [ 0.0078592700000000, -0.0058505300000000, 0.0052325900000000 ] - [ -0.0012902100000000, -0.0006640400000000, 0.0000779600000000 ] - [ 0.0006650400000000, 0.0000733200000000, 0.0004396500000000 ] - [ -0.0013586600000000, 0.0021897500000000, -0.0020303400000000 ] - [ -0.0673092900000000, -0.3214105900000000, -0.1033570200000000 ] - [ 0.0001316500000000, -0.0010060000000000, -0.0002207100000000 ] - [ -0.0012762900000000, 0.0041869100000000, 0.0006164000000000 ] - [ -0.0013733800000000, 0.0011404200000000, -0.0000765500000000 ] - [ 0.0208193700000000, -0.0615827300000000, 0.0068585600000000 ] - [ -0.0003655900000000, -0.0013560100000000, -0.0006560400000000 ] - [ -0.0005712700000000, 0.0035890200000000, 0.0012691900000000 ] - [ -0.0000679500000000, 0.0008246600000000, 0.0006076900000000 ] - [ -0.0003765300000000, 0.0026405900000000, 0.0050621500000000 ] - [ -0.0008725300000000, -0.0004947800000000, -0.0001670800000000 ] - [ 0.0026881800000000, 0.0002531400000000, 0.0019413400000000 ] - [ -0.0015933000000000, 0.0010371600000000, -0.0014703000000000 ] - [ -0.0028564500000000, -0.0057994500000000, -0.0031530300000000 ] - [ -0.0039198900000000, -0.0022776000000000, -0.0008690700000000 ] - [ 0.0036927100000000, -0.0070047300000000, 0.0076431800000000 ] - [ -0.0000075300000000, -0.0025361900000000, 0.0006555100000000 ] - [ -0.0002919300000000, 0.0024748800000000, -0.0007961300000000 ] - [ -0.0001791500000000, 0.0011533200000000, -0.0000427200000000 ]- atom: 29 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ -0.0001044000000000, -0.0000281600000000, 0.0010551000000000 ] - [ -0.0001328100000000, 0.0002457600000000, 0.0001455700000000 ] - [ 0.0064126800000000, -0.0041957100000000, -0.0012771200000000 ] - [ -0.0004319200000000, 0.0001385500000000, 0.0008806600000000 ] - [ -0.0002093400000000, 0.0059370100000000, 0.0226897500000000 ] - [ 0.0007810400000000, -0.0003939700000000, 0.0005153400000000 ] - [ 0.0004457900000000, 0.0027040700000000, -0.0000750800000000 ] - [ -0.0002635000000000, 0.0002034300000000, 0.0007173400000000 ] - [ -0.0002312700000000, -0.0165126100000000, 0.0057979200000000 ] - [ 0.0004874900000000, -0.0000333500000000, 0.0000305200000000 ] - [ -0.0067528000000000, -0.0062670200000000, 0.0015001800000000 ] - [ 0.0000911100000000, -0.0000101700000000, -0.0006966900000000 ] - [ -0.0014194100000000, 0.0004201400000000, -0.0030316500000000 ] - [ -0.0074702300000000, -0.0041168300000000, -0.0046566400000000 ] - [ -0.0025837900000000, 0.0035741400000000, 0.0013017500000000 ] - [ 0.0003254400000000, -0.0001226900000000, 0.0000136400000000 ] - [ -0.0004744700000000, -0.0000664700000000, -0.0001696100000000 ] - [ 0.0002988400000000, 0.0005990900000000, -0.0001535100000000 ] - [ -0.0001749900000000, -0.0001587000000000, -0.0003900500000000 ] - [ 0.0028503000000000, 0.0021771300000000, 0.0000750400000000 ] - [ 0.0205268500000000, -0.0063260300000000, 0.0157379400000000 ] - [ -0.0030791800000000, -0.0027046800000000, 0.0031712700000000 ] - [ -0.0088611700000000, 0.0294347800000000, 0.0672826300000000 ] - [ 0.0005821100000000, -0.0007825400000000, 0.0006606400000000 ] - [ 0.0000620700000000, -0.0002965100000000, -0.0004557000000000 ] - [ 0.0003422500000000, -0.0002161800000000, 0.0002823300000000 ] - [ -0.0002534700000000, -0.0009756700000000, -0.0009014200000000 ] - [ 0.0004713000000000, 0.0001681100000000, 0.0006029300000000 ] - [ 0.1924304500000000, 0.0726298900000000, -0.5831152200000000 ] - [ -0.0007682400000000, -0.0004178300000000, -0.0004119000000000 ] - [ 0.0006398700000000, -0.0034839700000000, 0.0191696300000000 ] - [ 0.0043622200000000, -0.0008158200000000, 0.0011357100000000 ] - [ 0.0032762100000000, 0.0058176500000000, -0.0032406800000000 ] - [ -0.0154643400000000, 0.0065229500000000, 0.0055994300000000 ] - [ -0.0009172800000000, -0.0003695600000000, 0.0053594000000000 ] - [ 0.0000009400000000, -0.0007743500000000, 0.0000318700000000 ] - [ -0.0000738000000000, 0.0004539700000000, 0.0007825300000000 ] - [ 0.0010267100000000, 0.0000514500000000, 0.0007502000000000 ] - [ 0.0009643400000000, -0.0014023400000000, -0.0047464400000000 ] - [ 0.0000987600000000, 0.0003090200000000, 0.0002430300000000 ] - [ 0.0127025600000000, -0.0122736700000000, -0.0097637600000000 ] - [ -0.0004251000000000, -0.0008942000000000, 0.0004590400000000 ] - [ 0.0001317400000000, 0.0002053600000000, 0.0001611900000000 ] - [ -0.0004219900000000, 0.0001643300000000, -0.0002286600000000 ] - [ 0.0025510600000000, -0.0015952700000000, -0.0056731400000000 ] - [ -0.0030861200000000, -0.0002820700000000, 0.0019512100000000 ] - [ -0.0009247900000000, 0.0024544200000000, -0.0036431100000000 ] - [ -0.0016831900000000, 0.0011134000000000, -0.0028472500000000 ] - [ -0.1247096400000000, 0.0374581800000000, 0.1314510600000000 ] - [ 0.0000510000000000, 0.0002567200000000, -0.0002758400000000 ] - [ 0.0004001200000000, 0.0005899100000000, 0.0018514000000000 ] - [ -0.0001659000000000, -0.0005277400000000, -0.0003297300000000 ] - [ 0.0004659100000000, -0.0000476100000000, -0.0006328500000000 ] - [ -0.0007606400000000, 0.0003654500000000, -0.0001831800000000 ] - [ 0.0000863900000000, 0.0011145300000000, 0.0004954600000000 ] - [ -0.0002291500000000, 0.0005688700000000, -0.0002285000000000 ] - [ -0.0002601600000000, -0.0007045300000000, 0.0008082600000000 ] - [ 0.0000351300000000, -0.0002690600000000, 0.0001346900000000 ] - [ -0.0002591800000000, 0.0004818900000000, 0.0001922200000000 ] - [ -0.0007816400000000, -0.0005665700000000, -0.0010580100000000 ] - [ 0.0004579000000000, -0.0002463800000000, 0.0000879500000000 ] - [ -0.0005042400000000, -0.0001139200000000, 0.0001898200000000 ] - [ 0.0033295400000000, 0.0022678000000000, -0.0051336000000000 ] - [ -0.0014444700000000, 0.0003070200000000, -0.0000547200000000 ] - [ -0.0003674400000000, 0.0035877600000000, 0.0019805300000000 ] - [ -0.0000040500000000, -0.0002886300000000, 0.0001443400000000 ] - [ 0.0010806700000000, 0.0039059900000000, -0.0002008700000000 ] - [ -0.0001428900000000, 0.0009054000000000, 0.0004166800000000 ] - [ -0.0648070600000000, -0.1758449500000000, 0.2199711700000000 ] - [ 0.0000099900000000, 0.0002598100000000, -0.0003926300000000 ] - [ -0.0136342400000000, -0.0049181900000000, -0.0101672300000000 ] - [ 0.0004525900000000, 0.0010817400000000, -0.0006675100000000 ] - [ -0.0012708100000000, -0.0014487300000000, -0.0001518600000000 ] - [ 0.0029529800000000, -0.0012106900000000, -0.0050732900000000 ] - [ -0.0076295700000000, 0.0643504700000000, 0.0854040000000000 ] - [ 0.0002047400000000, 0.0005025500000000, 0.0001253900000000 ] - [ -0.0002965900000000, 0.0001024400000000, -0.0008142200000000 ] - [ -0.0003567900000000, 0.0002537300000000, 0.0000367200000000 ] - [ 0.0097670000000000, 0.0013899300000000, 0.0774953100000000 ] - [ 0.0011222500000000, 0.0003246000000000, -0.0006852300000000 ] - [ -0.0011244900000000, -0.0001464800000000, 0.0020687800000000 ] - [ -0.0001361600000000, -0.0002000800000000, 0.0001305600000000 ] - [ -0.0000146200000000, -0.0013703300000000, -0.0026450700000000 ] - [ -0.0006374100000000, 0.0002681600000000, 0.0005133500000000 ] - [ 0.0011594600000000, -0.0010124500000000, 0.0022678900000000 ] - [ 0.0034060100000000, -0.0026875000000000, -0.0003724100000000 ] - [ -0.0059534800000000, -0.0035468000000000, -0.0017668800000000 ] - [ 0.0058050800000000, 0.0005505600000000, -0.0037840800000000 ] - [ 0.0006781600000000, 0.0042231600000000, -0.0225545300000000 ] - [ -0.0009969000000000, 0.0005875900000000, -0.0010053200000000 ] - [ -0.0000225600000000, -0.0003719300000000, 0.0000242900000000 ] - [ -0.0006093300000000, 0.0000100300000000, -0.0002384500000000 ]- atom: 29 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ -0.0001877400000000, -0.0000227200000000, -0.0009387500000000 ] - [ -0.0001609900000000, -0.0003029100000000, -0.0000215600000000 ] - [ -0.0067305300000000, 0.0041120100000000, 0.0018922400000000 ] - [ 0.0001092400000000, -0.0002236600000000, -0.0002588500000000 ] - [ 0.0002966100000000, -0.0059325300000000, -0.0226788400000000 ] - [ -0.0007806100000000, 0.0003267400000000, -0.0008090000000000 ] - [ -0.0008259600000000, -0.0026712700000000, 0.0007418200000000 ] - [ -0.0001186000000000, -0.0001574500000000, -0.0000646500000000 ] - [ 0.0005916100000000, 0.0167543800000000, -0.0065257400000000 ] - [ -0.0001032700000000, 0.0000803100000000, -0.0006875800000000 ] - [ 0.0067583400000000, 0.0060891500000000, -0.0016589900000000 ] - [ -0.0000988200000000, -0.0001239000000000, 0.0005513400000000 ] - [ 0.0017141400000000, -0.0004722100000000, 0.0028798200000000 ] - [ 0.0077852900000000, 0.0040671800000000, 0.0045699700000000 ] - [ 0.0025854200000000, -0.0036774800000000, -0.0011798100000000 ] - [ -0.0003252400000000, -0.0000112000000000, 0.0001366000000000 ] - [ 0.0004692900000000, -0.0000029300000000, 0.0004668500000000 ] - [ -0.0003109500000000, -0.0006662500000000, 0.0004530800000000 ] - [ 0.0004857000000000, 0.0000926300000000, -0.0002419500000000 ] - [ -0.0025241500000000, -0.0022449200000000, -0.0007025200000000 ] - [ -0.0208634500000000, 0.0058676600000000, -0.0157134300000000 ] - [ 0.0030067700000000, 0.0022692200000000, -0.0032632800000000 ] - [ 0.0088692000000000, -0.0298538200000000, -0.0679014100000000 ] - [ -0.0009371300000000, 0.0007858500000000, -0.0008501600000000 ] - [ 0.0000121500000000, -0.0001254600000000, 0.0005536500000000 ] - [ -0.0002551300000000, -0.0002146800000000, -0.0001942800000000 ] - [ 0.0006041100000000, 0.0009810300000000, 0.0010948400000000 ] - [ -0.0001068100000000, -0.0001541500000000, -0.0004254400000000 ] - [ -0.2026036300000000, -0.0588837700000000, 0.5845978900000000 ] - [ -0.0000482400000000, 0.0000784000000000, 0.0004629200000000 ] - [ -0.0010287100000000, 0.0031355500000000, -0.0193128300000000 ] - [ -0.0046435900000000, 0.0004674500000000, -0.0012690600000000 ] - [ -0.0036073900000000, -0.0048137400000000, 0.0034381300000000 ] - [ 0.0151606400000000, -0.0055592600000000, -0.0054009100000000 ] - [ 0.0012594200000000, 0.0013891800000000, -0.0055305300000000 ] - [ 0.0003421300000000, 0.0017620700000000, -0.0002066700000000 ] - [ 0.0008895900000000, -0.0007880700000000, -0.0008336500000000 ] - [ -0.0002147400000000, -0.0003798300000000, -0.0008162100000000 ] - [ -0.0006883700000000, 0.0010824600000000, 0.0048639100000000 ] - [ 0.0001847300000000, -0.0006470300000000, -0.0001510000000000 ] - [ -0.0112209800000000, 0.0112116400000000, 0.0100885500000000 ] - [ 0.0019530000000000, -0.0001451700000000, -0.0000828200000000 ] - [ -0.0004842200000000, 0.0002931900000000, 0.0002120700000000 ] - [ 0.0000660300000000, 0.0003284600000000, 0.0006131200000000 ] - [ -0.0025700200000000, 0.0013001800000000, 0.0054214000000000 ] - [ 0.0030630500000000, -0.0000205000000000, -0.0022103200000000 ] - [ 0.0012818200000000, -0.0025901200000000, 0.0031570100000000 ] - [ 0.0019761800000000, -0.0012500800000000, 0.0023923100000000 ] - [ 0.1347947500000000, -0.0407148600000000, -0.1396012000000000 ] - [ 0.0003005600000000, 0.0002421300000000, -0.0000965500000000 ] - [ -0.0006637100000000, -0.0009808100000000, -0.0020035100000000 ] - [ -0.0000953400000000, 0.0001419100000000, 0.0001906300000000 ] - [ -0.0007872900000000, 0.0004866800000000, 0.0005463100000000 ] - [ 0.0004472600000000, 0.0000633900000000, 0.0000997500000000 ] - [ -0.0000625200000000, 0.0000554300000000, -0.0006069100000000 ] - [ 0.0002439100000000, 0.0006052700000000, 0.0001258800000000 ] - [ 0.0003032100000000, 0.0003932100000000, -0.0005365200000000 ] - [ 0.0000063100000000, -0.0000390700000000, 0.0001367900000000 ] - [ -0.0012799300000000, -0.0015159500000000, -0.0005774700000000 ] - [ -0.0007637700000000, -0.0004791600000000, 0.0006781000000000 ] - [ -0.0005876800000000, 0.0005596500000000, 0.0006157300000000 ] - [ 0.0003780100000000, 0.0004327300000000, 0.0005150700000000 ] - [ -0.0030786900000000, -0.0021699700000000, 0.0046951800000000 ] - [ 0.0016578300000000, -0.0001994700000000, -0.0003769100000000 ] - [ 0.0001573600000000, -0.0035116800000000, -0.0015466800000000 ] - [ -0.0002007300000000, 0.0003932800000000, 0.0002958100000000 ] - [ -0.0008545400000000, -0.0037007800000000, 0.0009602600000000 ] - [ 0.0003630000000000, -0.0006779500000000, 0.0003555700000000 ] - [ 0.0639033600000000, 0.1662555600000000, -0.2136908700000000 ] - [ 0.0001234800000000, 0.0000615000000000, -0.0003104500000000 ] - [ 0.0137314000000000, 0.0060928800000000, 0.0102854600000000 ] - [ -0.0004745700000000, 0.0000975900000000, 0.0007751700000000 ] - [ 0.0010508600000000, 0.0016705800000000, -0.0006255700000000 ] - [ -0.0031859200000000, 0.0014413300000000, 0.0043148700000000 ] - [ 0.0082839800000000, -0.0641951700000000, -0.0861517300000000 ] - [ 0.0001184400000000, -0.0000662300000000, -0.0000349000000000 ] - [ -0.0001670900000000, -0.0003809100000000, 0.0008810300000000 ] - [ -0.0001193400000000, -0.0005157800000000, 0.0000341700000000 ] - [ -0.0094204400000000, -0.0011446100000000, -0.0775237000000000 ] - [ -0.0007949000000000, -0.0002263300000000, 0.0002450200000000 ] - [ 0.0008220900000000, -0.0000005800000000, -0.0016177700000000 ] - [ -0.0001772600000000, 0.0000588200000000, 0.0003353500000000 ] - [ -0.0009019200000000, 0.0010199400000000, 0.0037496200000000 ] - [ -0.0002689000000000, -0.0005948700000000, 0.0006080200000000 ] - [ -0.0002618100000000, 0.0006873100000000, -0.0034008900000000 ] - [ -0.0024999300000000, 0.0023702200000000, -0.0007634200000000 ] - [ 0.0064023200000000, 0.0032417700000000, 0.0016472300000000 ] - [ -0.0053382500000000, -0.0007992800000000, 0.0037004800000000 ] - [ -0.0003678400000000, -0.0045830300000000, 0.0227636400000000 ] - [ 0.0012581200000000, -0.0009702800000000, 0.0011550700000000 ] - [ -0.0003040600000000, 0.0004693000000000, 0.0004143800000000 ] - [ 0.0002849900000000, 0.0000866000000000, 0.0006831500000000 ]- atom: 31 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ -0.0000617300000000, -0.0002979900000000, -0.0002827500000000 ] - [ -0.0000630100000000, 0.0003378200000000, 0.0004216900000000 ] - [ 0.0007383200000000, -0.0009865400000000, 0.0006495400000000 ] - [ 0.0007925600000000, 0.0035907100000000, 0.0019765300000000 ] - [ 0.0130190800000000, 0.0023312900000000, -0.0009366900000000 ] - [ 0.0118750000000000, -0.0013311500000000, 0.0007397900000000 ] - [ -0.0023254400000000, 0.0004008300000000, -0.0003074000000000 ] - [ 0.0012589100000000, 0.0000757000000000, 0.0007062200000000 ] - [ -0.0082764900000000, 0.0036710800000000, 0.0023665400000000 ] - [ 0.0013826300000000, -0.0004323600000000, 0.0004048300000000 ] - [ -0.0030550100000000, -0.0021325100000000, -0.0032191200000000 ] - [ 0.0016155200000000, 0.0004531900000000, 0.0008718200000000 ] - [ -0.0030038000000000, -0.0024131900000000, -0.0012923000000000 ] - [ 0.0025652100000000, 0.0003067000000000, 0.0020004800000000 ] - [ 0.0003835500000000, 0.0029709800000000, -0.0021616800000000 ] - [ 0.0014180300000000, -0.0008128600000000, 0.0008152500000000 ] - [ -0.0003789700000000, 0.0006124800000000, -0.0004174600000000 ] - [ 0.0004519700000000, -0.0004418300000000, 0.0006932000000000 ] - [ -0.0022241400000000, -0.0019095700000000, 0.0006467300000000 ] - [ 0.0009618500000000, 0.0005394800000000, 0.0000232200000000 ] - [ 0.0022409200000000, 0.0379501200000000, -0.0546898000000000 ] - [ 0.0066428700000000, 0.0013891200000000, 0.0028723900000000 ] - [ -0.0200846300000000, -0.0434526000000000, 0.0427878500000000 ] - [ 0.0041015100000000, -0.0001096300000000, 0.0017627000000000 ] - [ -0.0016977300000000, 0.0001569500000000, -0.0004687600000000 ] - [ 0.0019209300000000, -0.0005165300000000, 0.0006265300000000 ] - [ -0.0038123700000000, -0.0022692200000000, -0.0003572900000000 ] - [ 0.0027065700000000, 0.0011702900000000, 0.0006834600000000 ] - [ -0.0208626800000000, 0.0067348200000000, -0.0086448200000000 ] - [ 0.0052836600000000, 0.0008680500000000, 0.0076372400000000 ] - [ -0.4569088800000000, -0.0647765100000000, -0.0100028700000000 ] - [ 0.0056009700000000, -0.0000348500000000, 0.0019514700000000 ] - [ 0.0042874700000000, 0.0106605600000000, -0.0004636900000000 ] - [ 0.0109738000000000, -0.0036043800000000, 0.0034015700000000 ] - [ 0.0038936400000000, 0.0052895600000000, 0.0034420400000000 ] - [ 0.0013451900000000, -0.0041904400000000, -0.0046434600000000 ] - [ -0.0027234300000000, 0.0015729200000000, -0.0005934300000000 ] - [ 0.0026721500000000, -0.0004010900000000, 0.0009858100000000 ] - [ -0.0021019500000000, -0.0002424300000000, -0.0012230100000000 ] - [ 0.0019535700000000, 0.0002832000000000, 0.0012577100000000 ] - [ -0.0063316700000000, 0.0122411900000000, -0.0055742300000000 ] - [ -0.0028650400000000, -0.0010797400000000, -0.0003580100000000 ] - [ 0.0013219100000000, 0.0002770400000000, 0.0000958700000000 ] - [ -0.0013277200000000, 0.0001670000000000, 0.0000309800000000 ] - [ 0.0711205900000000, 0.0477747100000000, 0.0361518600000000 ] - [ -0.0020698600000000, -0.0007433100000000, -0.0014981000000000 ] - [ 0.1496765000000000, -0.0295601800000000, -0.0722109700000000 ] - [ -0.0031641800000000, -0.0000524300000000, -0.0004939800000000 ] - [ 0.0065974600000000, 0.0009854700000000, -0.0165653500000000 ] - [ -0.0013432000000000, -0.0002731700000000, -0.0021892400000000 ] - [ 0.0015988100000000, 0.0004228300000000, 0.0012251000000000 ] - [ -0.0015000000000000, -0.0006592300000000, -0.0011531300000000 ] - [ 0.0010085400000000, -0.0014478700000000, 0.0005181200000000 ] - [ -0.0010226700000000, 0.0006681900000000, -0.0005221700000000 ] - [ 0.0024843300000000, 0.0002532300000000, 0.0000099000000000 ] - [ -0.0018129600000000, 0.0006451000000000, -0.0003164400000000 ] - [ 0.0003811900000000, -0.0006986500000000, 0.0006933900000000 ] - [ -0.0002377100000000, 0.0001760800000000, -0.0003502300000000 ] - [ 0.0008958800000000, 0.0025838600000000, 0.0009919700000000 ] - [ -0.0040267900000000, -0.0020031300000000, -0.0011053800000000 ] - [ 0.0008196900000000, -0.0012968100000000, 0.0005939100000000 ] - [ -0.0008365300000000, 0.0001819500000000, -0.0001227100000000 ] - [ 0.0722497000000000, 0.0556855100000000, -0.0274828000000000 ] - [ -0.0017869300000000, -0.0000068200000000, -0.0009204800000000 ] - [ 0.0007723500000000, 0.0004061500000000, 0.0008224800000000 ] - [ -0.0008829900000000, -0.0004752000000000, -0.0003975600000000 ] - [ -0.0014520400000000, -0.0021423200000000, -0.0009490900000000 ] - [ -0.0001685000000000, 0.0010022800000000, 0.0025872000000000 ] - [ 0.0019481400000000, -0.0002900400000000, 0.0055628200000000 ] - [ -0.0026165300000000, -0.0004017000000000, -0.0036564600000000 ] - [ 0.0292148300000000, -0.0043836800000000, 0.0029881900000000 ] - [ -0.0041080000000000, 0.0005284500000000, -0.0008461100000000 ] - [ -0.0002629300000000, -0.0028507900000000, -0.0008107400000000 ] - [ -0.0025275400000000, 0.0018127200000000, 0.0001630900000000 ] - [ 0.0023569000000000, -0.0008846500000000, 0.0025146900000000 ] - [ -0.0024673200000000, 0.0005375800000000, -0.0039830000000000 ] - [ 0.0005091100000000, -0.0019287800000000, -0.0004121800000000 ] - [ -0.0013821800000000, 0.0016540400000000, 0.0006790200000000 ] - [ 0.0106515600000000, -0.0016158400000000, 0.0237664100000000 ] - [ -0.0041002600000000, -0.0007282700000000, -0.0045504800000000 ] - [ 0.0008038800000000, 0.0001645800000000, 0.0001199800000000 ] - [ -0.0010035700000000, -0.0002769600000000, 0.0001865900000000 ] - [ -0.0029435600000000, -0.0039893900000000, -0.0013242500000000 ] - [ -0.0025987400000000, 0.0033953400000000, 0.0023180800000000 ] - [ 0.0004986800000000, -0.0034360300000000, 0.0009603500000000 ] - [ -0.0021609000000000, 0.0011942900000000, -0.0033494300000000 ] - [ -0.0078616300000000, -0.0108584600000000, 0.0067213100000000 ] - [ -0.0056358900000000, -0.0000974400000000, -0.0018038700000000 ] - [ 0.1567545500000000, -0.0119303400000000, 0.0747045100000000 ] - [ -0.0035131800000000, 0.0003194800000000, -0.0019254800000000 ] - [ 0.0014836600000000, -0.0000769600000000, 0.0013333400000000 ] - [ -0.0016428600000000, 0.0001009400000000, -0.0008873000000000 ]- atom: 31 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ -0.0002350100000000, 0.0002421700000000, 0.0004037700000000 ] - [ -0.0002253900000000, -0.0003955700000000, -0.0002978000000000 ] - [ -0.0010545500000000, 0.0009036100000000, -0.0000255600000000 ] - [ -0.0011016000000000, -0.0036999000000000, -0.0013545400000000 ] - [ -0.0128765800000000, -0.0023756900000000, 0.0006560000000000 ] - [ -0.0119729800000000, 0.0012842600000000, -0.0010124500000000 ] - [ 0.0019473900000000, -0.0003561400000000, 0.0009551100000000 ] - [ -0.0016391000000000, -0.0000328400000000, -0.0000505000000000 ] - [ 0.0086297000000000, -0.0036263000000000, -0.0030516000000000 ] - [ -0.0009953200000000, 0.0004834800000000, -0.0010620200000000 ] - [ 0.0030442400000000, 0.0019796000000000, 0.0030753200000000 ] - [ -0.0016187400000000, -0.0005932200000000, -0.0010152900000000 ] - [ 0.0033151700000000, 0.0023606900000000, 0.0012367800000000 ] - [ -0.0022785200000000, -0.0003614900000000, -0.0021274800000000 ] - [ -0.0003935300000000, -0.0030810400000000, 0.0022946700000000 ] - [ -0.0014178200000000, 0.0006865900000000, -0.0006686700000000 ] - [ 0.0003715800000000, -0.0006839500000000, 0.0007191900000000 ] - [ -0.0004627200000000, 0.0003710200000000, -0.0003956700000000 ] - [ 0.0025602000000000, 0.0018452800000000, -0.0012737200000000 ] - [ -0.0006454200000000, -0.0006104800000000, -0.0006516600000000 ] - [ -0.0024389800000000, -0.0383626400000000, 0.0548910800000000 ] - [ -0.0067282000000000, -0.0018279800000000, -0.0029686800000000 ] - [ 0.0198180400000000, 0.0433980800000000, -0.0428003400000000 ] - [ -0.0044525300000000, 0.0001073200000000, -0.0019426300000000 ] - [ 0.0017643800000000, -0.0005895200000000, 0.0005527400000000 ] - [ -0.0018273400000000, 0.0000837700000000, -0.0005332500000000 ] - [ 0.0041722600000000, 0.0022666600000000, 0.0005309000000000 ] - [ -0.0023443500000000, -0.0011597200000000, -0.0005019400000000 ] - [ 0.0200404300000000, -0.0070284900000000, 0.0086179900000000 ] - [ -0.0060866800000000, -0.0012187100000000, -0.0076340300000000 ] - [ 0.4572502800000000, 0.0648543100000000, -0.0050360800000000 ] - [ -0.0058804800000000, -0.0003025000000000, -0.0020488800000000 ] - [ -0.0046104900000000, -0.0096928800000000, 0.0006720200000000 ] - [ -0.0113192900000000, 0.0045781800000000, -0.0032129800000000 ] - [ -0.0035737400000000, -0.0042833400000000, -0.0036087000000000 ] - [ -0.0009979400000000, 0.0051710500000000, 0.0044929300000000 ] - [ 0.0035350500000000, -0.0019176000000000, 0.0005230000000000 ] - [ -0.0018561000000000, 0.0000647800000000, -0.0010405800000000 ] - [ 0.0023783000000000, -0.0001018000000000, 0.0013094000000000 ] - [ -0.0016651400000000, -0.0006274000000000, -0.0011626000000000 ] - [ 0.0078745100000000, -0.0133017000000000, 0.0059405700000000 ] - [ 0.0043855900000000, 0.0000461500000000, 0.0007294700000000 ] - [ -0.0016779800000000, 0.0002220100000000, 0.0002875600000000 ] - [ 0.0009724000000000, 0.0003289600000000, 0.0003476300000000 ] - [ -0.0702860000000000, -0.0472101200000000, -0.0355954100000000 ] - [ 0.0020290000000000, 0.0004333700000000, 0.0012257300000000 ] - [ -0.1558264100000000, 0.0306863700000000, 0.0784536400000000 ] - [ 0.0034694100000000, -0.0000863200000000, 0.0000310300000000 ] - [ -0.0062597100000000, -0.0004861800000000, 0.0162671400000000 ] - [ 0.0016768600000000, 0.0007735100000000, 0.0018190300000000 ] - [ -0.0018594600000000, -0.0008022200000000, -0.0013585000000000 ] - [ 0.0012360600000000, 0.0002748300000000, 0.0010129000000000 ] - [ -0.0013314200000000, 0.0018827300000000, -0.0006050600000000 ] - [ 0.0007046200000000, -0.0002274400000000, 0.0004338800000000 ] - [ -0.0024588600000000, 0.0009328800000000, -0.0001082800000000 ] - [ 0.0018251100000000, 0.0005307600000000, 0.0002110300000000 ] - [ -0.0003370200000000, 0.0003909700000000, -0.0004187900000000 ] - [ 0.0002734000000000, -0.0004834500000000, 0.0006209500000000 ] - [ -0.0024392400000000, -0.0036192800000000, -0.0013700500000000 ] - [ 0.0024923100000000, 0.0009587000000000, 0.0007268200000000 ] - [ -0.0009440100000000, 0.0016279000000000, 0.0001074300000000 ] - [ 0.0007087200000000, 0.0001345300000000, 0.0008242100000000 ] - [ -0.0729626500000000, -0.0563377700000000, 0.0275715800000000 ] - [ 0.0019936500000000, 0.0001096800000000, 0.0004803700000000 ] - [ -0.0009744800000000, -0.0002969900000000, -0.0003797600000000 ] - [ 0.0006744900000000, 0.0005858500000000, 0.0008385400000000 ] - [ 0.0016859900000000, 0.0023609300000000, 0.0017201500000000 ] - [ 0.0003864300000000, -0.0007705100000000, -0.0018357700000000 ] - [ -0.0018454500000000, 0.0005902500000000, -0.0061851800000000 ] - [ 0.0027540400000000, 0.0007205600000000, 0.0029803200000000 ] - [ -0.0292089600000000, 0.0056872300000000, -0.0029521900000000 ] - [ 0.0040864500000000, 0.0006531200000000, 0.0009516500000000 ] - [ 0.0000315600000000, 0.0030780700000000, 0.0000291000000000 ] - [ 0.0023044900000000, -0.0015852300000000, -0.0009383800000000 ] - [ -0.0020368200000000, 0.0013248500000000, -0.0023977700000000 ] - [ 0.0027894900000000, -0.0001018400000000, 0.0041041100000000 ] - [ -0.0009712400000000, 0.0016571200000000, 0.0004820600000000 ] - [ 0.0009006300000000, -0.0019122900000000, -0.0006134300000000 ] - [ -0.0102901400000000, 0.0017111400000000, -0.0241614400000000 ] - [ 0.0044333500000000, 0.0008301900000000, 0.0041242600000000 ] - [ -0.0011090600000000, -0.0003008800000000, 0.0003480500000000 ] - [ 0.0006878700000000, 0.0001373500000000, 0.0002777800000000 ] - [ 0.0020340400000000, 0.0036426800000000, 0.0024356400000000 ] - [ 0.0016906600000000, -0.0037349800000000, -0.0012176900000000 ] - [ 0.0004047600000000, 0.0031082800000000, -0.0021000400000000 ] - [ 0.0030732800000000, -0.0015142700000000, 0.0022279700000000 ] - [ 0.0083236700000000, 0.0105895200000000, -0.0068286500000000 ] - [ 0.0061156400000000, -0.0001541000000000, 0.0017277100000000 ] - [ -0.1506158500000000, 0.0096895200000000, -0.0682268200000000 ] - [ 0.0037769800000000, -0.0007016400000000, 0.0020613700000000 ] - [ -0.0018025400000000, 0.0001766200000000, -0.0008853300000000 ] - [ 0.0013133400000000, -0.0000010400000000, 0.0013256000000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000171800000000, 0.0014029800000000, 0.0000834700000000 ] - [ -0.0000620100000000, 0.0019036400000000, 0.0000042100000000 ] - [ -0.0008316500000000, 0.0006439000000000, 0.0001387500000000 ] - [ 0.0058318200000000, 0.0074788200000000, 0.0027570400000000 ] - [ 0.0023412300000000, -0.0050300800000000, 0.0019866300000000 ] - [ -0.0015482700000000, -0.0039688500000000, -0.0007116200000000 ] - [ -0.0003139600000000, 0.0043046400000000, -0.0011862000000000 ] - [ -0.0002576500000000, 0.0008629900000000, 0.0004332500000000 ] - [ 0.0037143400000000, 0.0004058500000000, 0.0107187900000000 ] - [ -0.0007737600000000, -0.0011266500000000, -0.0007446700000000 ] - [ -0.0058577300000000, 0.0086561000000000, 0.0036938000000000 ] - [ 0.0004857900000000, 0.0004564300000000, -0.0000961600000000 ] - [ -0.0020308800000000, -0.0136189700000000, -0.0030844600000000 ] - [ -0.0000078600000000, -0.0012193300000000, -0.0005024100000000 ] - [ 0.0069880400000000, 0.0073095700000000, -0.0025376200000000 ] - [ -0.0008444700000000, -0.0001341800000000, -0.0003566000000000 ] - [ -0.0001098700000000, 0.0026395400000000, 0.0000860200000000 ] - [ 0.0001430600000000, 0.0008760000000000, 0.0002055900000000 ] - [ -0.0068231500000000, 0.0077257300000000, -0.0050374800000000 ] - [ 0.0009110000000000, -0.0001230900000000, -0.0002158100000000 ] - [ 0.0129548800000000, -0.0224290600000000, -0.0002007600000000 ] - [ -0.0009941000000000, -0.0018682300000000, 0.0002489900000000 ] - [ -0.0170446300000000, 0.0042796400000000, -0.0203859600000000 ] - [ 0.0006866800000000, -0.0010207400000000, 0.0017538800000000 ] - [ 0.0015953300000000, 0.0034366600000000, 0.0002902600000000 ] - [ -0.0018472500000000, 0.0021235500000000, -0.0000399300000000 ] - [ -0.0000540500000000, 0.0050769000000000, 0.0009765000000000 ] - [ 0.0002106400000000, 0.0015510700000000, -0.0000401400000000 ] - [ 0.0035867200000000, -0.0152589100000000, -0.0017267700000000 ] - [ 0.0021905900000000, -0.0114831900000000, 0.0005336400000000 ] - [ -0.0658702000000000, -0.7360767300000000, 0.0070872900000000 ] - [ -0.0000068800000000, -0.0027174400000000, 0.0004417400000000 ] - [ 0.0030372500000000, -0.0039472900000000, 0.0027871900000000 ] - [ -0.0051195000000000, 0.0024024200000000, -0.0014443600000000 ] - [ 0.0017868900000000, 0.0021205300000000, 0.0050515400000000 ] - [ -0.0013727600000000, 0.0051511300000000, -0.0016161600000000 ] - [ -0.0010312300000000, 0.0123477800000000, 0.0006814300000000 ] - [ 0.0003604800000000, 0.0017423500000000, -0.0005786900000000 ] - [ 0.0002114800000000, 0.0051535000000000, 0.0012759900000000 ] - [ -0.0003161100000000, 0.0040187800000000, 0.0001509600000000 ] - [ 0.0047264400000000, 0.0007004200000000, 0.0012817600000000 ] - [ -0.0008350200000000, 0.0008393300000000, -0.0004106400000000 ] - [ -0.0003051600000000, -0.0032986200000000, 0.0010978500000000 ] - [ -0.0003296300000000, -0.0006367000000000, 0.0006580200000000 ] - [ 0.0451369800000000, 0.2739139000000000, 0.1547742300000000 ] - [ 0.0000722300000000, 0.0007695600000000, 0.0001990200000000 ] - [ -0.0209674200000000, 0.0645684400000000, 0.0081518200000000 ] - [ 0.0002415700000000, 0.0011059400000000, -0.0007818600000000 ] - [ 0.0002761600000000, 0.0039939400000000, 0.0058810300000000 ] - [ -0.0019624800000000, 0.0028323400000000, -0.0018096800000000 ] - [ -0.0002113100000000, -0.0029895500000000, -0.0013622300000000 ] - [ -0.0000431000000000, -0.0015265200000000, -0.0004818900000000 ] - [ 0.0006987900000000, -0.0083054000000000, 0.0006219900000000 ] - [ -0.0000056000000000, -0.0010379200000000, 0.0002536200000000 ] - [ -0.0009304800000000, -0.0030505600000000, -0.0013573900000000 ] - [ 0.0006404000000000, -0.0003457800000000, 0.0000719700000000 ] - [ -0.0005729600000000, -0.0026622200000000, 0.0004975000000000 ] - [ 0.0010004400000000, -0.0025251500000000, 0.0009461200000000 ] - [ -0.0003260700000000, -0.0029727900000000, -0.0001936000000000 ] - [ -0.0023329800000000, -0.0014236400000000, -0.0011699100000000 ] - [ 0.0005233600000000, -0.0079183300000000, -0.0008306200000000 ] - [ 0.0000048800000000, -0.0005413300000000, 0.0002166500000000 ] - [ 0.0584839800000000, 0.3276504800000000, -0.1405573400000000 ] - [ 0.0002571800000000, 0.0015054100000000, -0.0005922500000000 ] - [ 0.0007757200000000, -0.0032065100000000, -0.0005366100000000 ] - [ -0.0003832300000000, -0.0025273700000000, -0.0005113100000000 ] - [ -0.0002358900000000, 0.0010352100000000, -0.0010804300000000 ] - [ 0.0012418700000000, -0.0010668200000000, 0.0044545200000000 ] - [ 0.0033572000000000, 0.0052412300000000, -0.0023520800000000 ] - [ -0.0031961800000000, 0.0037009900000000, -0.0023137500000000 ] - [ -0.0047288400000000, 0.0077617100000000, 0.0085123600000000 ] - [ -0.0003908000000000, 0.0010063500000000, -0.0003909200000000 ] - [ -0.0019476900000000, -0.0009789300000000, -0.0001714300000000 ] - [ 0.0011255100000000, -0.0011159200000000, -0.0004614400000000 ] - [ -0.0030028100000000, 0.0061556000000000, 0.0020851200000000 ] - [ 0.0035313500000000, 0.0062004600000000, 0.0024810400000000 ] - [ -0.0003456000000000, -0.0014716900000000, -0.0006551500000000 ] - [ 0.0015858500000000, -0.0034184300000000, 0.0002364300000000 ] - [ -0.0015479100000000, 0.0067508900000000, -0.0010229600000000 ] - [ 0.0001604300000000, 0.0022179900000000, 0.0002216500000000 ] - [ -0.0003599200000000, -0.0023443100000000, -0.0006164000000000 ] - [ 0.0000521800000000, -0.0016735800000000, -0.0001832300000000 ] - [ -0.0039418500000000, -0.0013340900000000, -0.0030413100000000 ] - [ 0.0013744600000000, -0.0009007300000000, 0.0010510900000000 ] - [ -0.0001077500000000, -0.0013287400000000, -0.0044985500000000 ] - [ 0.0013459600000000, -0.0011887600000000, 0.0004913400000000 ] - [ 0.0043858600000000, 0.0078553400000000, -0.0033244000000000 ] - [ 0.0023550300000000, 0.0005162300000000, 0.0003449700000000 ] - [ -0.0181353800000000, 0.0639992900000000, -0.0249807000000000 ] - [ 0.0000811400000000, 0.0012835700000000, -0.0009294000000000 ] - [ -0.0003076700000000, -0.0028539400000000, 0.0004569300000000 ] - [ 0.0001176900000000, -0.0010080400000000, 0.0007493000000000 ]- atom: 31 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002687200000000, -0.0014606500000000, 0.0000403200000000 ] - [ -0.0002360300000000, -0.0019623500000000, 0.0001177600000000 ] - [ 0.0005154400000000, -0.0007126800000000, 0.0004891100000000 ] - [ -0.0061997900000000, -0.0075715200000000, -0.0021754800000000 ] - [ -0.0023554800000000, 0.0049505500000000, -0.0022952800000000 ] - [ 0.0015788700000000, 0.0038908700000000, 0.0004040500000000 ] - [ -0.0000736200000000, -0.0042901900000000, 0.0018544900000000 ] - [ -0.0001215300000000, -0.0008132400000000, 0.0002225100000000 ] - [ -0.0033143800000000, -0.0003650600000000, -0.0112728400000000 ] - [ 0.0011578700000000, 0.0011656900000000, 0.0000928400000000 ] - [ 0.0059019700000000, -0.0088258000000000, -0.0038983700000000 ] - [ -0.0004898500000000, -0.0005832400000000, -0.0000513400000000 ] - [ 0.0023244800000000, 0.0135507300000000, 0.0029638900000000 ] - [ 0.0002979200000000, 0.0011622500000000, 0.0003788100000000 ] - [ -0.0069517000000000, -0.0074325100000000, 0.0026505300000000 ] - [ 0.0008471600000000, -0.0000070100000000, 0.0005029900000000 ] - [ 0.0000986100000000, -0.0027085700000000, 0.0002057900000000 ] - [ -0.0001495400000000, -0.0009453800000000, 0.0000937700000000 ] - [ 0.0071016600000000, -0.0077677700000000, 0.0043558600000000 ] - [ -0.0005916600000000, 0.0000409500000000, -0.0004088800000000 ] - [ -0.0131157700000000, 0.0222811200000000, 0.0001764200000000 ] - [ 0.0009162100000000, 0.0014422300000000, -0.0003353000000000 ] - [ 0.0168648800000000, -0.0040383600000000, 0.0203750900000000 ] - [ -0.0010459600000000, 0.0010474800000000, -0.0019172200000000 ] - [ -0.0014927800000000, -0.0038698600000000, -0.0001925300000000 ] - [ 0.0019298900000000, -0.0025595100000000, 0.0001288200000000 ] - [ 0.0003974600000000, -0.0050765100000000, -0.0007815700000000 ] - [ 0.0001496000000000, -0.0015491900000000, 0.0002212600000000 ] - [ -0.0044517200000000, 0.0149616300000000, 0.0018184900000000 ] - [ -0.0029525800000000, 0.0111420900000000, -0.0004567000000000 ] - [ 0.0639864100000000, 0.7303621200000000, 0.0156885300000000 ] - [ -0.0002717400000000, 0.0023774400000000, -0.0005295200000000 ] - [ -0.0034049300000000, 0.0049721600000000, -0.0025764400000000 ] - [ 0.0048514700000000, -0.0013872800000000, 0.0016395900000000 ] - [ -0.0014517500000000, -0.0011471700000000, -0.0052245700000000 ] - [ 0.0016729300000000, -0.0041893500000000, 0.0014471900000000 ] - [ 0.0018500700000000, -0.0126965800000000, -0.0007133600000000 ] - [ 0.0004546400000000, -0.0020804700000000, 0.0005210300000000 ] - [ 0.0000743100000000, -0.0055048500000000, -0.0011728000000000 ] - [ 0.0005954200000000, -0.0043574200000000, -0.0000619600000000 ] - [ -0.0032544300000000, -0.0017552400000000, -0.0009292400000000 ] - [ 0.0023797200000000, -0.0018963000000000, 0.0007823400000000 ] - [ -0.0000439800000000, 0.0037985600000000, -0.0007284900000000 ] - [ -0.0000262600000000, 0.0011331100000000, -0.0002794100000000 ] - [ -0.0482279400000000, -0.2852029300000000, -0.1660523100000000 ] - [ -0.0001137200000000, -0.0010868100000000, -0.0004764800000000 ] - [ 0.0218948400000000, -0.0649308800000000, -0.0093533000000000 ] - [ 0.0000691900000000, -0.0012450200000000, 0.0003180200000000 ] - [ 0.0000566600000000, -0.0035430100000000, -0.0062271700000000 ] - [ 0.0022959500000000, -0.0023440400000000, 0.0014030100000000 ] - [ -0.0000512400000000, 0.0026074100000000, 0.0012179100000000 ] - [ -0.0002188400000000, 0.0011435500000000, 0.0003448200000000 ] - [ -0.0010143200000000, 0.0087793900000000, -0.0007118900000000 ] - [ -0.0003137700000000, 0.0014788900000000, -0.0003435200000000 ] - [ 0.0009440700000000, 0.0042210500000000, 0.0012420600000000 ] - [ -0.0006246700000000, 0.0015295000000000, -0.0001767600000000 ] - [ 0.0006113100000000, 0.0023615700000000, -0.0002297300000000 ] - [ -0.0009550200000000, 0.0022132000000000, -0.0006684300000000 ] - [ -0.0011816500000000, 0.0019413000000000, -0.0001937400000000 ] - [ 0.0007980200000000, 0.0003857700000000, 0.0007907500000000 ] - [ -0.0006559700000000, 0.0082213000000000, 0.0015360400000000 ] - [ -0.0001333000000000, 0.0008584300000000, 0.0004848700000000 ] - [ -0.0540730700000000, -0.3115935800000000, 0.1295276600000000 ] - [ -0.0000521000000000, -0.0013905200000000, 0.0001490300000000 ] - [ -0.0009875700000000, 0.0033233600000000, 0.0009773100000000 ] - [ 0.0001789200000000, 0.0026373800000000, 0.0009562800000000 ] - [ 0.0004641400000000, -0.0008041600000000, 0.0018510700000000 ] - [ -0.0010157200000000, 0.0013100600000000, -0.0036974400000000 ] - [ -0.0032213000000000, -0.0049701200000000, 0.0016548100000000 ] - [ 0.0033064200000000, -0.0034004200000000, 0.0016125300000000 ] - [ 0.0047088200000000, -0.0066724300000000, -0.0086293400000000 ] - [ 0.0003688200000000, 0.0001630200000000, 0.0004910700000000 ] - [ 0.0017447300000000, 0.0011922400000000, -0.0006186900000000 ] - [ -0.0013654100000000, 0.0013327900000000, -0.0003158400000000 ] - [ 0.0033411700000000, -0.0057069600000000, -0.0020013400000000 ] - [ -0.0032303000000000, -0.0057329900000000, -0.0023955200000000 ] - [ -0.0001387100000000, 0.0012202400000000, 0.0007252000000000 ] - [ -0.0020560100000000, 0.0031658600000000, -0.0001658200000000 ] - [ 0.0019103500000000, -0.0067033700000000, 0.0005878400000000 ] - [ 0.0001563100000000, -0.0021214600000000, -0.0006710300000000 ] - [ 0.0000470700000000, 0.0022082600000000, 0.0010745600000000 ] - [ -0.0003621900000000, 0.0015353900000000, 0.0006499200000000 ] - [ 0.0030244600000000, 0.0010162900000000, 0.0041575200000000 ] - [ -0.0022689900000000, 0.0005849800000000, 0.0000634100000000 ] - [ 0.0010277100000000, 0.0009784900000000, 0.0033725200000000 ] - [ -0.0004525800000000, 0.0008602000000000, -0.0016216100000000 ] - [ -0.0039031900000000, -0.0081679300000000, 0.0032523400000000 ] - [ -0.0018899400000000, -0.0008058200000000, -0.0004123200000000 ] - [ 0.0181647200000000, -0.0639708000000000, 0.0246202700000000 ] - [ 0.0001781400000000, -0.0016699500000000, 0.0010632600000000 ] - [ -0.0000246900000000, 0.0029599000000000, -0.0000237600000000 ] - [ -0.0004424600000000, 0.0011084800000000, -0.0003081900000000 ]- atom: 31 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ -0.0005378900000000, -0.0004694900000000, -0.0001694100000000 ] - [ 0.0002457000000000, -0.0001799500000000, -0.0003691100000000 ] - [ -0.0004576300000000, -0.0001292500000000, 0.0005301800000000 ] - [ 0.0039349000000000, 0.0031237300000000, -0.0002018200000000 ] - [ -0.0034678900000000, 0.0014175700000000, -0.0038767600000000 ] - [ -0.0078037600000000, 0.0004580300000000, -0.0046343600000000 ] - [ -0.0002219800000000, -0.0024907700000000, -0.0011558000000000 ] - [ -0.0000846600000000, -0.0002568900000000, 0.0004821400000000 ] - [ 0.0060627400000000, 0.0092298300000000, 0.0046136600000000 ] - [ 0.0002587900000000, 0.0000300700000000, 0.0005053000000000 ] - [ -0.0045114800000000, 0.0055218200000000, 0.0023837900000000 ] - [ 0.0004308100000000, -0.0000945100000000, -0.0001105600000000 ] - [ 0.0009490000000000, -0.0011406200000000, 0.0238809600000000 ] - [ 0.0009479400000000, 0.0004033600000000, 0.0005724100000000 ] - [ -0.0049777900000000, -0.0046511400000000, 0.0023129200000000 ] - [ 0.0002177300000000, 0.0000549500000000, -0.0005336600000000 ] - [ -0.0001000900000000, -0.0002735400000000, 0.0011664100000000 ] - [ 0.0000483800000000, -0.0004055700000000, 0.0001930400000000 ] - [ 0.0051215500000000, -0.0036240200000000, 0.0003838600000000 ] - [ -0.0001688600000000, 0.0001867900000000, -0.0001250600000000 ] - [ -0.0288214700000000, -0.0314654800000000, 0.0659649800000000 ] - [ 0.0019307000000000, 0.0008590200000000, 0.0009064000000000 ] - [ 0.0230901200000000, -0.0091361100000000, 0.0186282400000000 ] - [ -0.0015199700000000, 0.0019424900000000, 0.0034482600000000 ] - [ 0.0000617200000000, -0.0001511800000000, -0.0013370300000000 ] - [ -0.0003671000000000, -0.0001773200000000, 0.0006298600000000 ] - [ 0.0016457500000000, 0.0020831100000000, -0.0013549600000000 ] - [ 0.0000270500000000, -0.0002093200000000, 0.0003983300000000 ] - [ 0.0019040700000000, -0.0007957000000000, 0.0199564400000000 ] - [ 0.0046937300000000, 0.0004360900000000, 0.0015325500000000 ] - [ 0.1982789800000000, 0.0216280400000000, -0.5758454700000000 ] - [ -0.0007619400000000, 0.0002193900000000, -0.0005952400000000 ] - [ -0.0064600000000000, -0.0139849700000000, 0.0034734300000000 ] - [ 0.0050643100000000, -0.0014933100000000, 0.0007804200000000 ] - [ 0.0005845200000000, 0.0009445800000000, -0.0034680200000000 ] - [ -0.0041701000000000, 0.0024990100000000, 0.0060664900000000 ] - [ 0.0007566700000000, -0.0017613700000000, -0.0050678500000000 ] - [ 0.0002655900000000, -0.0006208100000000, 0.0001238300000000 ] - [ -0.0000547900000000, -0.0012574900000000, 0.0011035500000000 ] - [ 0.0004680200000000, -0.0004606200000000, 0.0011043100000000 ] - [ -0.0057662100000000, 0.0048697000000000, -0.0005412700000000 ] - [ 0.0037645300000000, 0.0005503600000000, -0.0003150800000000 ] - [ -0.0010900700000000, -0.0002401200000000, 0.0024121200000000 ] - [ -0.0000527000000000, 0.0005099900000000, -0.0000228300000000 ] - [ 0.0005639100000000, 0.1193677300000000, 0.1476464000000000 ] - [ -0.0000528300000000, -0.0002155000000000, -0.0002096000000000 ] - [ -0.1465947300000000, 0.0273219500000000, 0.1464375600000000 ] - [ 0.0002260000000000, -0.0004253800000000, -0.0003269600000000 ] - [ -0.0019265700000000, -0.0017149400000000, -0.0041720000000000 ] - [ -0.0016917400000000, -0.0006548500000000, -0.0034718700000000 ] - [ -0.0002926100000000, -0.0002412500000000, -0.0003946400000000 ] - [ -0.0003388600000000, -0.0001093900000000, -0.0004548100000000 ] - [ -0.0005150400000000, -0.0008335300000000, 0.0011921200000000 ] - [ -0.0001919600000000, 0.0005603700000000, -0.0001064400000000 ] - [ -0.0005626900000000, -0.0000111700000000, 0.0009774800000000 ] - [ 0.0001536200000000, 0.0006696400000000, -0.0003397000000000 ] - [ 0.0005172700000000, 0.0004851800000000, -0.0003311100000000 ] - [ -0.0006041500000000, 0.0002843900000000, -0.0000913300000000 ] - [ 0.0000280600000000, -0.0030080500000000, -0.0011688600000000 ] - [ -0.0004803600000000, -0.0003914100000000, 0.0003536600000000 ] - [ -0.0000395500000000, 0.0034128700000000, 0.0010571500000000 ] - [ -0.0000400200000000, 0.0002217700000000, 0.0004038500000000 ] - [ -0.0550050900000000, -0.1414260700000000, 0.1324245600000000 ] - [ 0.0001830500000000, -0.0001974300000000, -0.0000054600000000 ] - [ 0.0003640900000000, 0.0004343600000000, -0.0003567000000000 ] - [ -0.0006304400000000, -0.0000420900000000, 0.0000125800000000 ] - [ -0.0008369600000000, -0.0010791100000000, 0.0012078200000000 ] - [ 0.0012332400000000, 0.0013707700000000, -0.0045758100000000 ] - [ 0.0038774200000000, 0.0017056500000000, -0.0062911300000000 ] - [ -0.0021961700000000, 0.0004077400000000, 0.0007579700000000 ] - [ -0.0081927300000000, 0.0144610200000000, -0.0087736700000000 ] - [ -0.0005909800000000, 0.0000824600000000, -0.0007876500000000 ] - [ 0.0003162100000000, 0.0033186800000000, 0.0008214800000000 ] - [ -0.0012132400000000, 0.0011158700000000, 0.0004346400000000 ] - [ 0.0011937800000000, -0.0017719600000000, -0.0047496100000000 ] - [ -0.0030364200000000, -0.0002411300000000, 0.0007447500000000 ] - [ -0.0001802100000000, -0.0001419100000000, 0.0006532800000000 ] - [ 0.0005197200000000, -0.0006886000000000, -0.0010099700000000 ] - [ -0.0004946100000000, -0.0010195300000000, -0.0231083300000000 ] - [ -0.0014254300000000, -0.0005799900000000, -0.0017843100000000 ] - [ -0.0000180800000000, 0.0004960200000000, 0.0001991900000000 ] - [ -0.0000557400000000, -0.0000984400000000, -0.0003312600000000 ] - [ 0.0011358600000000, 0.0000395600000000, 0.0029812500000000 ] - [ 0.0017392000000000, -0.0033428900000000, -0.0010806900000000 ] - [ 0.0016189100000000, 0.0026837100000000, -0.0059479300000000 ] - [ -0.0007100600000000, 0.0005719700000000, -0.0015755300000000 ] - [ 0.0160292700000000, 0.0136283900000000, -0.0089322700000000 ] - [ -0.0023217400000000, -0.0003395200000000, -0.0005327700000000 ] - [ 0.0093963200000000, -0.0158058000000000, 0.0769888100000000 ] - [ 0.0012642800000000, -0.0001650600000000, -0.0004880500000000 ] - [ 0.0005924600000000, 0.0001799700000000, 0.0022017300000000 ] - [ -0.0000705400000000, 0.0002265800000000, 0.0000726600000000 ]- atom: 31 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ 0.0002425400000000, 0.0004091900000000, 0.0002947600000000 ] - [ -0.0005344800000000, 0.0001203400000000, 0.0004887900000000 ] - [ 0.0001503300000000, 0.0000403100000000, 0.0001024500000000 ] - [ -0.0042585700000000, -0.0032027500000000, 0.0008286700000000 ] - [ 0.0034677000000000, -0.0014709600000000, 0.0036172900000000 ] - [ 0.0077959100000000, -0.0005208900000000, 0.0043117600000000 ] - [ -0.0001559100000000, 0.0025124100000000, 0.0017937900000000 ] - [ -0.0002981000000000, 0.0003001000000000, 0.0001744400000000 ] - [ -0.0056173800000000, -0.0091099300000000, -0.0052687500000000 ] - [ 0.0001197100000000, 0.0000173900000000, -0.0011584700000000 ] - [ 0.0045042300000000, -0.0057048500000000, -0.0025048300000000 ] - [ -0.0004293100000000, -0.0000394000000000, -0.0000403600000000 ] - [ -0.0007674900000000, 0.0011289600000000, -0.0243078600000000 ] - [ -0.0006446700000000, -0.0004547100000000, -0.0007022200000000 ] - [ 0.0049786600000000, 0.0045513300000000, -0.0021384100000000 ] - [ -0.0002122100000000, -0.0001892200000000, 0.0006815000000000 ] - [ 0.0000895500000000, 0.0001980800000000, -0.0008620200000000 ] - [ -0.0000568800000000, 0.0003343500000000, 0.0001033700000000 ] - [ -0.0048047900000000, 0.0035510300000000, -0.0009902600000000 ] - [ 0.0004914000000000, -0.0002543600000000, -0.0004982100000000 ] - [ 0.0281540000000000, 0.0308549000000000, -0.0655359600000000 ] - [ -0.0020213100000000, -0.0012881600000000, -0.0009888800000000 ] - [ -0.0231209700000000, 0.0090586000000000, -0.0189375500000000 ] - [ 0.0011513900000000, -0.0019312000000000, -0.0036268600000000 ] - [ 0.0000197300000000, -0.0002876600000000, 0.0014165200000000 ] - [ 0.0004487900000000, -0.0002540400000000, -0.0005371600000000 ] - [ -0.0012730700000000, -0.0020766900000000, 0.0015195100000000 ] - [ 0.0003264900000000, 0.0002114700000000, -0.0002136800000000 ] - [ -0.0025956600000000, 0.0005099700000000, -0.0198508200000000 ] - [ -0.0055016800000000, -0.0007677600000000, -0.0014282200000000 ] - [ -0.1861882500000000, -0.0255285600000000, 0.5701889300000000 ] - [ 0.0004818200000000, -0.0005481200000000, 0.0005094500000000 ] - [ 0.0060857700000000, 0.0148996200000000, -0.0033051800000000 ] - [ -0.0054016300000000, 0.0024890800000000, -0.0005957600000000 ] - [ -0.0002649200000000, 0.0000364600000000, 0.0032596500000000 ] - [ 0.0045100500000000, -0.0015027000000000, -0.0062753200000000 ] - [ 0.0000596300000000, 0.0014076200000000, 0.0049887800000000 ] - [ 0.0005475100000000, 0.0002800700000000, -0.0001796100000000 ] - [ 0.0003403100000000, 0.0009018000000000, -0.0010187900000000 ] - [ -0.0001866900000000, 0.0001191500000000, -0.0010014500000000 ] - [ 0.0072832800000000, -0.0059541400000000, 0.0009558400000000 ] - [ -0.0022175500000000, -0.0015876100000000, 0.0006913800000000 ] - [ 0.0007310300000000, 0.0007382800000000, -0.0020200800000000 ] - [ -0.0003002100000000, -0.0000113300000000, 0.0003998800000000 ] - [ -0.0023713000000000, -0.1237613000000000, -0.1495174900000000 ] - [ 0.0000030800000000, -0.0000974100000000, -0.0000689800000000 ] - [ 0.1361178900000000, -0.0252461400000000, -0.1384644800000000 ] - [ 0.0000875100000000, 0.0002840900000000, -0.0001435400000000 ] - [ 0.0022248500000000, 0.0022071400000000, 0.0038084600000000 ] - [ 0.0020616800000000, 0.0011480100000000, 0.0030762400000000 ] - [ 0.0000282200000000, -0.0001361400000000, 0.0002604800000000 ] - [ 0.0000775200000000, -0.0002740100000000, 0.0003130800000000 ] - [ 0.0001951700000000, 0.0012678600000000, -0.0012771700000000 ] - [ -0.0001275500000000, -0.0001190800000000, 0.0000174400000000 ] - [ 0.0005766400000000, 0.0011962000000000, -0.0010692800000000 ] - [ -0.0001333100000000, 0.0005086300000000, 0.0002338100000000 ] - [ -0.0004752500000000, -0.0007875100000000, 0.0006005100000000 ] - [ 0.0006419900000000, -0.0005885400000000, 0.0003601800000000 ] - [ -0.0015665900000000, 0.0019596500000000, 0.0008021600000000 ] - [ -0.0010474500000000, -0.0006434200000000, -0.0007270200000000 ] - [ -0.0000840600000000, -0.0030735300000000, -0.0003581700000000 ] - [ -0.0000886900000000, 0.0000976800000000, 0.0003001200000000 ] - [ 0.0555002100000000, 0.1469671900000000, -0.1341312500000000 ] - [ 0.0000187100000000, 0.0002993800000000, -0.0004361400000000 ] - [ -0.0005700200000000, -0.0003142200000000, 0.0007971900000000 ] - [ 0.0004216100000000, 0.0001474400000000, 0.0004266400000000 ] - [ 0.0010640900000000, 0.0013012000000000, -0.0004233400000000 ] - [ -0.0009991700000000, -0.0011686600000000, 0.0053644100000000 ] - [ -0.0038063300000000, -0.0013873400000000, 0.0055860200000000 ] - [ 0.0023029500000000, -0.0000898500000000, -0.0014730200000000 ] - [ 0.0080618600000000, -0.0132159800000000, 0.0088138700000000 ] - [ 0.0005798300000000, 0.0010934900000000, 0.0008901400000000 ] - [ -0.0005452600000000, -0.0030813100000000, -0.0015737900000000 ] - [ 0.0009859600000000, -0.0008908300000000, -0.0012118500000000 ] - [ -0.0009017500000000, 0.0021820500000000, 0.0048211400000000 ] - [ 0.0033439600000000, 0.0006791600000000, -0.0006741900000000 ] - [ -0.0002917700000000, -0.0001173700000000, -0.0005775200000000 ] - [ -0.0009924900000000, 0.0004214100000000, 0.0010836300000000 ] - [ 0.0007883200000000, 0.0011255100000000, 0.0226142300000000 ] - [ 0.0017509200000000, 0.0006730600000000, 0.0013304100000000 ] - [ -0.0002936500000000, -0.0006281000000000, 0.0002721000000000 ] - [ -0.0002535100000000, -0.0000419100000000, 0.0007906600000000 ] - [ -0.0020231500000000, -0.0003539600000000, -0.0018510100000000 ] - [ -0.0026524000000000, 0.0030175300000000, 0.0022137000000000 ] - [ -0.0006968300000000, -0.0029904100000000, 0.0048313400000000 ] - [ 0.0016164300000000, -0.0008953700000000, 0.0004539400000000 ] - [ -0.0155067400000000, -0.0138790200000000, 0.0088683800000000 ] - [ 0.0028012800000000, 0.0000679100000000, 0.0004645300000000 ] - [ -0.0087827400000000, 0.0155796900000000, -0.0770014000000000 ] - [ -0.0010003500000000, -0.0002217500000000, 0.0006271000000000 ] - [ -0.0009137700000000, -0.0000795400000000, -0.0017505700000000 ] - [ -0.0002546500000000, -0.0001270700000000, 0.0003682900000000 ]- atom: 33 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ 0.0014120100000000, 0.0001762600000000, 0.0008503400000000 ] - [ -0.0037523000000000, -0.0030964400000000, -0.0020355900000000 ] - [ 0.0027308700000000, 0.0002913300000000, 0.0021492900000000 ] - [ -0.0023577700000000, 0.0013290800000000, -0.0075626800000000 ] - [ 0.0026025500000000, -0.0000215300000000, 0.0011305700000000 ] - [ -0.0060118400000000, 0.0004862000000000, -0.0037911200000000 ] - [ 0.0117760700000000, -0.0072239100000000, -0.0004294600000000 ] - [ 0.0078322100000000, 0.0058155400000000, 0.0004566000000000 ] - [ 0.0015296800000000, 0.0011968100000000, 0.0000555400000000 ] - [ -0.0005213200000000, -0.0028148200000000, -0.0008564100000000 ] - [ 0.0017450500000000, -0.0007225900000000, 0.0028890400000000 ] - [ -0.0004823500000000, 0.0018882900000000, 0.0041036500000000 ] - [ -0.0053785600000000, 0.0011915400000000, 0.0010489300000000 ] - [ 0.0025785800000000, -0.0003878200000000, 0.0012398800000000 ] - [ 0.0006260900000000, 0.0002211100000000, 0.0004824700000000 ] - [ -0.0006619100000000, -0.0011615900000000, -0.0002272000000000 ] - [ -0.0026415700000000, -0.0020686700000000, 0.0005349800000000 ] - [ 0.0009996600000000, 0.0003482700000000, 0.0008783400000000 ] - [ -0.0016625100000000, -0.0004130800000000, -0.0013475900000000 ] - [ 0.0019675100000000, -0.0004544400000000, 0.0006290700000000 ] - [ 0.0257410700000000, 0.0314699000000000, -0.0002875900000000 ] - [ 0.0112115000000000, -0.0062079600000000, -0.0006904300000000 ] - [ 0.0138078100000000, 0.0009154300000000, 0.0012013700000000 ] - [ 0.0556735700000000, -0.0536943700000000, -0.0059023400000000 ] - [ 0.0030403800000000, -0.0013474200000000, 0.0011271500000000 ] - [ -0.0042490800000000, 0.0032414100000000, -0.0005203000000000 ] - [ 0.0005804200000000, -0.0027488800000000, 0.0007526800000000 ] - [ 0.0009762000000000, 0.0007869700000000, -0.0002657600000000 ] - [ 0.0071223800000000, 0.0018684600000000, 0.0073621300000000 ] - [ 0.0076764900000000, -0.0051939000000000, -0.0130331100000000 ] - [ 0.0042894700000000, 0.0030684300000000, -0.0048997300000000 ] - [ 0.0109805800000000, -0.0051525800000000, 0.0109300800000000 ] - [ -0.5226399200000000, 0.0768186700000000, 0.0234243000000000 ] - [ 0.0110962200000000, 0.0022314100000000, 0.0023041300000000 ] - [ 0.0038197000000000, -0.0005530900000000, 0.0013256200000000 ] - [ -0.0038815500000000, 0.0003829300000000, -0.0016979400000000 ] - [ 0.0032375000000000, -0.0039664400000000, 0.0001024100000000 ] - [ 0.0018956500000000, 0.0034803200000000, 0.0004795800000000 ] - [ 0.0038726800000000, -0.0018073900000000, 0.0022559500000000 ] - [ 0.0013112600000000, 0.0013612900000000, -0.0041755600000000 ] - [ -0.0080292000000000, 0.0019125700000000, -0.0006175300000000 ] - [ 0.2154586400000000, -0.0298138000000000, 0.0365978400000000 ] - [ -0.0012408800000000, 0.0025932000000000, 0.0000306400000000 ] - [ -0.0010642500000000, -0.0006839700000000, 0.0007170800000000 ] - [ -0.0000436200000000, -0.0016756800000000, 0.0017092000000000 ] - [ -0.0034592800000000, 0.0004204800000000, -0.0040861500000000 ] - [ -0.0034522900000000, -0.0046805600000000, 0.0041911700000000 ] - [ -0.0048422900000000, 0.0025904500000000, -0.0014052100000000 ] - [ -0.0044165200000000, -0.0011170200000000, -0.0029112500000000 ] - [ -0.0066051600000000, 0.0159217700000000, 0.0165707200000000 ] - [ -0.0020374100000000, 0.0015649900000000, -0.0015097900000000 ] - [ -0.0002005800000000, -0.0006038500000000, 0.0008484100000000 ] - [ -0.0013259300000000, 0.0031283700000000, 0.0001229000000000 ] - [ -0.0015678100000000, -0.0023972100000000, -0.0013496500000000 ] - [ -0.0014901000000000, 0.0010624800000000, -0.0004016400000000 ] - [ 0.0005031100000000, 0.0001746800000000, 0.0002023500000000 ] - [ -0.0013820600000000, 0.0008358000000000, -0.0010960400000000 ] - [ 0.0007417800000000, -0.0007729600000000, 0.0020673300000000 ] - [ 0.0017521200000000, 0.0003346900000000, 0.0001043400000000 ] - [ -0.0029558700000000, -0.0006634800000000, -0.0005171700000000 ] - [ -0.0003098500000000, 0.0016099800000000, 0.0009870900000000 ] - [ -0.0003325400000000, -0.0007200400000000, -0.0004625300000000 ] - [ -0.0004270400000000, -0.0020453100000000, 0.0012531800000000 ] - [ -0.0016624100000000, 0.0039670000000000, -0.0041565000000000 ] - [ -0.0017831600000000, 0.0010097300000000, -0.0010536600000000 ] - [ 0.0009858900000000, -0.0005193600000000, 0.0037484800000000 ] - [ -0.0014336700000000, 0.0004398500000000, -0.0004289400000000 ] - [ 0.0024595900000000, 0.0000960800000000, 0.0007413200000000 ] - [ -0.0024303600000000, 0.0001926100000000, -0.0030457700000000 ] - [ 0.0009977100000000, -0.0007147000000000, 0.0041054700000000 ] - [ -0.0141279400000000, -0.0042005900000000, -0.0002442000000000 ] - [ -0.0187453000000000, 0.0077616600000000, 0.0009254900000000 ] - [ 0.1107986400000000, -0.0742347400000000, -0.0968998600000000 ] - [ -0.0037147600000000, -0.0003485800000000, -0.0011365300000000 ] - [ -0.0024705400000000, -0.0017697700000000, -0.0024211500000000 ] - [ 0.0002889900000000, 0.0047412800000000, 0.0047458400000000 ] - [ -0.0025995000000000, 0.0010833200000000, -0.0003761500000000 ] - [ 0.0030456900000000, -0.0003679300000000, 0.0002567900000000 ] - [ -0.0058880400000000, -0.0041441800000000, -0.0065143200000000 ] - [ -0.0031271500000000, 0.0025551900000000, 0.0022427900000000 ] - [ -0.0019542500000000, 0.0003976400000000, -0.0000604700000000 ] - [ 0.0002741200000000, -0.0030972400000000, 0.0026467400000000 ] - [ -0.0019445500000000, -0.0000742700000000, -0.0004987100000000 ] - [ 0.0014983200000000, 0.0001649300000000, 0.0021311600000000 ] - [ 0.0669820800000000, -0.0180239300000000, 0.0404972200000000 ] - [ -0.0023677800000000, -0.0006089200000000, -0.0020773800000000 ] - [ 0.0764679700000000, 0.0465795800000000, -0.0018344400000000 ] - [ -0.0073281100000000, -0.0022842800000000, -0.0004368900000000 ] - [ -0.0039047100000000, -0.0018448900000000, 0.0010207900000000 ] - [ -0.0082504500000000, 0.0187278000000000, -0.0117422500000000 ] - [ -0.0020712000000000, 0.0010787700000000, -0.0010448100000000 ] - [ 0.0008394400000000, -0.0030703400000000, -0.0001266400000000 ]- atom: 33 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ -0.0017035300000000, -0.0002360200000000, -0.0007257300000000 ] - [ 0.0034508300000000, 0.0030417400000000, 0.0021617200000000 ] - [ -0.0030454700000000, -0.0003693200000000, -0.0015218300000000 ] - [ 0.0020219900000000, -0.0014077800000000, 0.0081838800000000 ] - [ -0.0025937200000000, -0.0000422700000000, -0.0014303200000000 ] - [ 0.0060351200000000, -0.0005760900000000, 0.0035144500000000 ] - [ -0.0120162600000000, 0.0071477300000000, 0.0010631200000000 ] - [ -0.0082541600000000, -0.0057887200000000, 0.0001957400000000 ] - [ -0.0011560700000000, -0.0011456600000000, -0.0007145000000000 ] - [ 0.0009067900000000, 0.0028698100000000, 0.0002005100000000 ] - [ -0.0017576300000000, 0.0005963200000000, -0.0030216200000000 ] - [ 0.0004944100000000, -0.0020282000000000, -0.0042525600000000 ] - [ 0.0056813200000000, -0.0012752100000000, -0.0011971900000000 ] - [ -0.0022848200000000, 0.0003345600000000, -0.0013625000000000 ] - [ -0.0006252700000000, -0.0003541100000000, -0.0003325400000000 ] - [ 0.0006708600000000, 0.0010310000000000, 0.0003815800000000 ] - [ 0.0026225300000000, 0.0020018500000000, -0.0002620800000000 ] - [ -0.0010045400000000, -0.0004189000000000, -0.0005794800000000 ] - [ 0.0019795400000000, 0.0003382600000000, 0.0007218100000000 ] - [ -0.0016489300000000, 0.0003806300000000, -0.0012542900000000 ] - [ -0.0259724100000000, -0.0315237000000000, 0.0001949000000000 ] - [ -0.0113113800000000, 0.0057823500000000, 0.0006132800000000 ] - [ -0.0140282800000000, -0.0008793800000000, -0.0013753400000000 ] - [ -0.0566932000000000, 0.0538730300000000, 0.0055156900000000 ] - [ -0.0029580000000000, 0.0009095100000000, -0.0010416500000000 ] - [ 0.0043581100000000, -0.0036742600000000, 0.0006081600000000 ] - [ -0.0002342200000000, 0.0027496100000000, -0.0005790200000000 ] - [ -0.0006132800000000, -0.0007763300000000, 0.0004514100000000 ] - [ -0.0079694800000000, -0.0021694400000000, -0.0072948500000000 ] - [ -0.0085505300000000, 0.0048600100000000, 0.0131697600000000 ] - [ -0.0046162200000000, -0.0033775500000000, 0.0047736800000000 ] - [ -0.0112960000000000, 0.0048216800000000, -0.0110537600000000 ] - [ 0.5410421000000000, -0.0794541900000000, -0.0153487600000000 ] - [ -0.0113982800000000, -0.0012479300000000, -0.0021070500000000 ] - [ -0.0034885900000000, 0.0015453300000000, -0.0015138300000000 ] - [ 0.0041986700000000, 0.0006053600000000, 0.0015111400000000 ] - [ -0.0024373900000000, 0.0036180200000000, -0.0001652800000000 ] - [ -0.0010713600000000, -0.0038241800000000, -0.0005304000000000 ] - [ -0.0035951100000000, 0.0014456000000000, -0.0021682400000000 ] - [ -0.0010336500000000, -0.0016891400000000, 0.0042933900000000 ] - [ 0.0095268300000000, -0.0029487800000000, 0.0009936800000000 ] - [ -0.2306921500000000, 0.0319242500000000, -0.0398122100000000 ] - [ 0.0008975200000000, -0.0020996700000000, 0.0003513400000000 ] - [ 0.0007042500000000, 0.0011785800000000, -0.0003405800000000 ] - [ 0.0000111500000000, 0.0013638100000000, -0.0019591000000000 ] - [ 0.0034196500000000, -0.0007348100000000, 0.0038153000000000 ] - [ 0.0038414800000000, 0.0045461200000000, -0.0046794800000000 ] - [ 0.0051561500000000, -0.0027310100000000, 0.0009433300000000 ] - [ 0.0047673200000000, 0.0015837400000000, 0.0025047700000000 ] - [ 0.0070475600000000, -0.0155281200000000, -0.0170466600000000 ] - [ 0.0017820500000000, -0.0019403100000000, 0.0013766300000000 ] - [ -0.0000695800000000, 0.0002136300000000, -0.0009979000000000 ] - [ 0.0010133800000000, -0.0026807500000000, -0.0001927400000000 ] - [ 0.0012463000000000, 0.0028453500000000, 0.0012598200000000 ] - [ 0.0015137600000000, 0.0001172600000000, 0.0002995100000000 ] - [ -0.0004943000000000, 0.0010036800000000, -0.0003078500000000 ] - [ 0.0014238500000000, -0.0011380100000000, 0.0013676800000000 ] - [ -0.0007009800000000, 0.0004577300000000, -0.0018009500000000 ] - [ -0.0032750100000000, -0.0013728900000000, -0.0004799800000000 ] - [ 0.0014192300000000, -0.0003813500000000, 0.0001388100000000 ] - [ 0.0001851000000000, -0.0012933400000000, -0.0002811800000000 ] - [ 0.0002012200000000, 0.0010354400000000, 0.0011642400000000 ] - [ 0.0006446100000000, 0.0021609500000000, -0.0016952000000000 ] - [ 0.0018693100000000, -0.0038563300000000, 0.0037161000000000 ] - [ 0.0015748700000000, -0.0008805500000000, 0.0014942200000000 ] - [ -0.0011961400000000, 0.0006269800000000, -0.0033353100000000 ] - [ 0.0016624400000000, -0.0002214700000000, 0.0012038600000000 ] - [ -0.0022345800000000, 0.0001302100000000, 0.0000352700000000 ] - [ 0.0025644900000000, 0.0001107200000000, 0.0023426000000000 ] - [ -0.0008673000000000, 0.0010424900000000, -0.0048407700000000 ] - [ 0.0140400500000000, 0.0052613500000000, 0.0003498300000000 ] - [ 0.0186532600000000, -0.0065520300000000, -0.0007975200000000 ] - [ -0.1113832000000000, 0.0727171000000000, 0.0937421400000000 ] - [ 0.0034824800000000, 0.0005737900000000, 0.0003616100000000 ] - [ 0.0027982700000000, 0.0022069200000000, 0.0025167500000000 ] - [ 0.0000322400000000, -0.0043048900000000, -0.0046725900000000 ] - [ 0.0021261100000000, -0.0013462000000000, 0.0004489400000000 ] - [ -0.0035259400000000, 0.0000937400000000, -0.0001836000000000 ] - [ 0.0062878500000000, 0.0042359200000000, 0.0061038500000000 ] - [ 0.0034591200000000, -0.0024542300000000, -0.0026946500000000 ] - [ 0.0016468000000000, -0.0005259200000000, 0.0005258000000000 ] - [ -0.0005893800000000, 0.0029690400000000, -0.0021952400000000 ] - [ 0.0010380500000000, -0.0002534200000000, 0.0016217400000000 ] - [ -0.0024063100000000, -0.0004883200000000, -0.0010127000000000 ] - [ -0.0669579200000000, 0.0183127000000000, -0.0431385100000000 ] - [ 0.0032678200000000, 0.0002870500000000, 0.0009485200000000 ] - [ -0.0761168500000000, -0.0454362700000000, 0.0016079300000000 ] - [ 0.0077913400000000, 0.0020195600000000, 0.0003635700000000 ] - [ 0.0041636500000000, 0.0014221200000000, -0.0008429000000000 ] - [ 0.0085739000000000, -0.0191663800000000, 0.0119287200000000 ] - [ 0.0017538900000000, -0.0009745100000000, 0.0014931400000000 ] - [ -0.0011822100000000, 0.0031753500000000, 0.0005665400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005573200000000, -0.0002690600000000, -0.0004828800000000 ] - [ 0.0006316400000000, 0.0090089400000000, 0.0053727500000000 ] - [ -0.0002851600000000, -0.0020616500000000, 0.0002523900000000 ] - [ 0.0000150400000000, -0.0061115600000000, 0.0029949700000000 ] - [ 0.0004013600000000, 0.0004515100000000, 0.0003797800000000 ] - [ -0.0021477500000000, 0.0072646100000000, -0.0081326000000000 ] - [ -0.0112452700000000, -0.0011202300000000, -0.0005119800000000 ] - [ 0.0006514900000000, -0.0025168100000000, 0.0009903600000000 ] - [ 0.0016038500000000, 0.0029512100000000, -0.0002306400000000 ] - [ -0.0007053600000000, 0.0024879500000000, -0.0003738300000000 ] - [ -0.0030510300000000, -0.0040381700000000, -0.0033698700000000 ] - [ 0.0020026200000000, -0.0030643200000000, 0.0008493000000000 ] - [ -0.0019511900000000, 0.0060039500000000, 0.0086153500000000 ] - [ 0.0005269000000000, 0.0003936900000000, -0.0002039400000000 ] - [ -0.0000343800000000, 0.0026310400000000, 0.0002993500000000 ] - [ 0.0000219600000000, 0.0021781800000000, -0.0001442200000000 ] - [ -0.0004540800000000, 0.0090958300000000, -0.0061657900000000 ] - [ 0.0003248900000000, -0.0004422300000000, 0.0005069200000000 ] - [ -0.0000415800000000, 0.0030452000000000, -0.0003765900000000 ] - [ 0.0003676800000000, 0.0018780300000000, -0.0002561700000000 ] - [ 0.0651331200000000, 0.0263838000000000, 0.0010430500000000 ] - [ -0.0014974300000000, -0.0009695500000000, -0.0002234800000000 ] - [ 0.0060050600000000, -0.0011879300000000, -0.0004216200000000 ] - [ -0.0193760700000000, -0.0014100700000000, -0.0042221200000000 ] - [ -0.0016971600000000, 0.0018597400000000, -0.0011978600000000 ] - [ 0.0015576100000000, 0.0059007900000000, 0.0012858300000000 ] - [ -0.0001457800000000, 0.0071364200000000, -0.0010924900000000 ] - [ 0.0018001600000000, 0.0028113400000000, 0.0008947900000000 ] - [ 0.0103506300000000, -0.0035596000000000, 0.0109454000000000 ] - [ -0.0054580500000000, 0.0009602200000000, 0.0043460800000000 ] - [ 0.0100582700000000, -0.0046423000000000, -0.0112380800000000 ] - [ -0.0042354200000000, 0.0017153600000000, -0.0041628600000000 ] - [ 0.0726129000000000, -0.5644414400000000, -0.0092974800000000 ] - [ 0.0015827100000000, -0.0037016000000000, 0.0007501700000000 ] - [ 0.0012122900000000, 0.0047316400000000, 0.0002261800000000 ] - [ 0.0002872000000000, 0.0136541300000000, -0.0003818900000000 ] - [ -0.0046105400000000, 0.0064891100000000, -0.0014180500000000 ] - [ 0.0051050200000000, 0.0003278200000000, 0.0035653700000000 ] - [ -0.0046265300000000, 0.0014719800000000, -0.0026818300000000 ] - [ 0.0047992200000000, 0.0045165000000000, 0.0000462600000000 ] - [ -0.0028623500000000, 0.0029119800000000, 0.0004587300000000 ] - [ -0.0339631700000000, 0.0622494100000000, -0.0003854800000000 ] - [ 0.0018201900000000, -0.0038699000000000, 0.0012481400000000 ] - [ -0.0016694800000000, -0.0003207000000000, 0.0000742200000000 ] - [ -0.0007286200000000, 0.0059948900000000, 0.0033438900000000 ] - [ 0.0006163800000000, 0.0007137800000000, 0.0010678400000000 ] - [ -0.0152420600000000, -0.0087984900000000, 0.0114342200000000 ] - [ 0.0019179600000000, -0.0005660700000000, -0.0002697800000000 ] - [ -0.0034916700000000, 0.0010892600000000, -0.0007375000000000 ] - [ 0.0056355000000000, 0.0003577100000000, -0.0031502500000000 ] - [ 0.0032028000000000, -0.0035175800000000, 0.0014285000000000 ] - [ -0.0024614900000000, -0.0020565600000000, -0.0021560000000000 ] - [ 0.0031525200000000, -0.0039015100000000, 0.0009272600000000 ] - [ -0.0012948900000000, 0.0013122300000000, -0.0006933700000000 ] - [ 0.0012089000000000, -0.0019965700000000, 0.0003025600000000 ] - [ -0.0015048700000000, -0.0024562100000000, -0.0004151600000000 ] - [ 0.0009612500000000, -0.0020101400000000, 0.0013189000000000 ] - [ -0.0007098600000000, -0.0030275000000000, 0.0004829700000000 ] - [ -0.0025133800000000, -0.0051372800000000, 0.0001612300000000 ] - [ -0.0023158900000000, -0.0026980700000000, -0.0003162700000000 ] - [ 0.0009319300000000, -0.0034409400000000, -0.0000204200000000 ] - [ -0.0008745500000000, -0.0010457600000000, -0.0007508100000000 ] - [ -0.0018409900000000, -0.0015117900000000, 0.0022659300000000 ] - [ 0.0006067300000000, -0.0015094700000000, 0.0006771000000000 ] - [ 0.0022942700000000, -0.0001874000000000, 0.0013896100000000 ] - [ -0.0021427700000000, -0.0016714900000000, -0.0027415300000000 ] - [ -0.0005394400000000, -0.0018655000000000, 0.0009796000000000 ] - [ 0.0000605100000000, -0.0061649400000000, 0.0016927500000000 ] - [ -0.0007073200000000, 0.0033214600000000, -0.0032885900000000 ] - [ 0.0005363100000000, 0.0033699100000000, -0.0006867900000000 ] - [ -0.0183795700000000, 0.0099773800000000, 0.0011061500000000 ] - [ 0.0023848400000000, 0.0016969000000000, 0.0001471300000000 ] - [ -0.0706715300000000, 0.1641223900000000, 0.1310323300000000 ] - [ -0.0006487400000000, 0.0021146800000000, 0.0003164500000000 ] - [ -0.0027574100000000, -0.0022366400000000, -0.0033841600000000 ] - [ 0.0012532300000000, -0.0011104900000000, -0.0001266200000000 ] - [ 0.0010166100000000, -0.0023803700000000, 0.0001005100000000 ] - [ 0.0011133100000000, -0.0083236500000000, -0.0001958500000000 ] - [ -0.0163514200000000, -0.0068737700000000, -0.0134559400000000 ] - [ 0.0023838000000000, -0.0003840400000000, -0.0000974800000000 ] - [ 0.0014491600000000, -0.0004824600000000, 0.0000895700000000 ] - [ -0.0036476100000000, -0.0033544800000000, 0.0005112500000000 ] - [ -0.0007822800000000, -0.0020083500000000, -0.0001738900000000 ] - [ -0.0003211700000000, -0.0051166400000000, -0.0002897800000000 ] - [ -0.0148394200000000, 0.1044070700000000, -0.1076715700000000 ] - [ -0.0001862100000000, 0.0016496800000000, -0.0015353600000000 ] - [ 0.0455579500000000, 0.1987730700000000, -0.0099751600000000 ] - [ 0.0007960700000000, 0.0016109400000000, -0.0001746200000000 ] - [ -0.0033399300000000, 0.0007670600000000, 0.0006918300000000 ] - [ 0.0048778700000000, 0.0010270500000000, 0.0020875600000000 ] - [ 0.0023094900000000, -0.0013216100000000, 0.0024413200000000 ] - [ -0.0042310500000000, -0.0019329100000000, -0.0018631400000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002631600000000, 0.0002190600000000, 0.0006068800000000 ] - [ -0.0009217500000000, -0.0091033900000000, -0.0053235800000000 ] - [ -0.0000296900000000, 0.0019872800000000, 0.0003759200000000 ] - [ -0.0003274100000000, 0.0060467800000000, -0.0023775500000000 ] - [ -0.0003901400000000, -0.0005218600000000, -0.0006775300000000 ] - [ 0.0021559100000000, -0.0072919500000000, 0.0077681100000000 ] - [ 0.0108966000000000, 0.0012036200000000, 0.0011636800000000 ] - [ -0.0010207500000000, 0.0025876600000000, -0.0003336700000000 ] - [ -0.0012193800000000, -0.0029075700000000, -0.0004260600000000 ] - [ 0.0010764800000000, -0.0024484400000000, -0.0002818500000000 ] - [ 0.0030581500000000, 0.0039175700000000, 0.0032406500000000 ] - [ -0.0019854800000000, 0.0029395600000000, -0.0009655600000000 ] - [ 0.0022397000000000, -0.0060154400000000, -0.0086593600000000 ] - [ -0.0002303400000000, -0.0004488200000000, 0.0000811400000000 ] - [ 0.0000321800000000, -0.0027649100000000, -0.0001545100000000 ] - [ -0.0000263200000000, -0.0023139700000000, 0.0002830100000000 ] - [ 0.0004484600000000, -0.0092451900000000, 0.0065569200000000 ] - [ -0.0003340100000000, 0.0003788100000000, -0.0002087600000000 ] - [ 0.0003576400000000, -0.0031240000000000, -0.0002476700000000 ] - [ -0.0000497400000000, -0.0019558100000000, -0.0003707300000000 ] - [ -0.0649247900000000, -0.0263579900000000, -0.0011826100000000 ] - [ 0.0014293600000000, 0.0005099100000000, 0.0001327200000000 ] - [ -0.0063381000000000, 0.0012118600000000, 0.0002349500000000 ] - [ 0.0189093000000000, 0.0012098500000000, 0.0040614300000000 ] - [ 0.0017892800000000, -0.0022848600000000, 0.0012862100000000 ] - [ -0.0015094500000000, -0.0063482700000000, -0.0012034800000000 ] - [ 0.0005200000000000, -0.0071362300000000, 0.0012689800000000 ] - [ -0.0014575900000000, -0.0028026500000000, -0.0007144300000000 ] - [ -0.0111299600000000, 0.0031955700000000, -0.0108485500000000 ] - [ 0.0046300000000000, -0.0013224200000000, -0.0042714000000000 ] - [ -0.0103220900000000, 0.0042749500000000, 0.0111135400000000 ] - [ 0.0039383900000000, -0.0020767600000000, 0.0040603300000000 ] - [ -0.0835125200000000, 0.5541028000000000, 0.0145317600000000 ] - [ -0.0018975600000000, 0.0046969200000000, -0.0005588700000000 ] - [ -0.0008883100000000, -0.0037480000000000, -0.0004151000000000 ] - [ 0.0000644200000000, -0.0126924900000000, 0.0001860300000000 ] - [ 0.0054427400000000, -0.0067885700000000, 0.0013435400000000 ] - [ -0.0043212900000000, -0.0006444700000000, -0.0036507300000000 ] - [ 0.0049367100000000, -0.0017929400000000, 0.0028005600000000 ] - [ -0.0045620400000000, -0.0048206200000000, 0.0000848400000000 ] - [ 0.0043794400000000, -0.0039500700000000, -0.0000801900000000 ] - [ 0.0364220500000000, -0.0638093100000000, 0.0008060800000000 ] - [ -0.0021943700000000, 0.0043604100000000, -0.0008522200000000 ] - [ 0.0013260000000000, 0.0008081300000000, 0.0003094300000000 ] - [ 0.0006941900000000, -0.0062862300000000, -0.0036093900000000 ] - [ -0.0006594200000000, -0.0010198400000000, -0.0013460400000000 ] - [ 0.0155569300000000, 0.0086733800000000, -0.0119136500000000 ] - [ -0.0016025300000000, 0.0004417000000000, -0.0001972100000000 ] - [ 0.0038386100000000, -0.0005954900000000, 0.0003557400000000 ] - [ -0.0052596300000000, 0.0001977600000000, 0.0027838000000000 ] - [ -0.0034956400000000, 0.0031372300000000, -0.0015837800000000 ] - [ 0.0022117000000000, 0.0016630100000000, 0.0020111200000000 ] - [ -0.0034568200000000, 0.0043124300000000, -0.0010235000000000 ] - [ 0.0009800000000000, -0.0008836000000000, 0.0006069500000000 ] - [ -0.0012063900000000, 0.0031774400000000, -0.0004076100000000 ] - [ 0.0015381300000000, 0.0036445800000000, 0.0003102900000000 ] - [ -0.0009259400000000, 0.0016928000000000, -0.0010500300000000 ] - [ 0.0007592700000000, 0.0027025100000000, -0.0002082400000000 ] - [ 0.0009728600000000, 0.0040955500000000, -0.0005378900000000 ] - [ 0.0007909200000000, 0.0016603800000000, -0.0000618700000000 ] - [ -0.0010610100000000, 0.0037363700000000, 0.0007122600000000 ] - [ 0.0007539000000000, 0.0013510700000000, 0.0014550300000000 ] - [ 0.0020516000000000, 0.0016540600000000, -0.0027191200000000 ] - [ -0.0003966000000000, 0.0016419400000000, -0.0011230300000000 ] - [ -0.0025019800000000, 0.0002963500000000, -0.0009508600000000 ] - [ 0.0019360600000000, 0.0017624100000000, 0.0031717100000000 ] - [ 0.0007685700000000, 0.0020871500000000, -0.0002032600000000 ] - [ 0.0001689800000000, 0.0063802300000000, -0.0009184500000000 ] - [ 0.0008381500000000, -0.0030020500000000, 0.0025844600000000 ] - [ -0.0004129000000000, -0.0030362200000000, -0.0000233200000000 ] - [ 0.0182278500000000, -0.0087832800000000, -0.0009930200000000 ] - [ -0.0024871300000000, -0.0004590900000000, -0.0000329500000000 ] - [ 0.0737405800000000, -0.1661994400000000, -0.1376834700000000 ] - [ 0.0004163400000000, -0.0018990100000000, -0.0010967600000000 ] - [ 0.0030708300000000, 0.0026913600000000, 0.0034716700000000 ] - [ -0.0009326900000000, 0.0015780900000000, 0.0002243200000000 ] - [ -0.0014934000000000, 0.0021179600000000, -0.0000279600000000 ] - [ -0.0015852400000000, 0.0080938900000000, 0.0002712900000000 ] - [ 0.0166283000000000, 0.0069582500000000, 0.0129975700000000 ] - [ -0.0020524500000000, 0.0004938600000000, -0.0003441800000000 ] - [ -0.0017672100000000, 0.0003417400000000, 0.0003721700000000 ] - [ 0.0033837000000000, 0.0032176500000000, -0.0000799300000000 ] - [ -0.0001237500000000, 0.0016842800000000, 0.0012949200000000 ] - [ -0.0005867300000000, 0.0047924400000000, 0.0014167000000000 ] - [ 0.0160663800000000, -0.1039203500000000, 0.1081762900000000 ] - [ 0.0010877700000000, -0.0019786600000000, 0.0004130800000000 ] - [ -0.0391847900000000, -0.1862043100000000, 0.0090643700000000 ] - [ -0.0003321000000000, -0.0018756500000000, 0.0001037100000000 ] - [ 0.0036062200000000, -0.0011501900000000, -0.0005426900000000 ] - [ -0.0045871600000000, -0.0013631100000000, -0.0019474200000000 ] - [ -0.0026387300000000, 0.0014129400000000, -0.0019949000000000 ] - [ 0.0039394800000000, 0.0020319500000000, 0.0023308300000000 ]- atom: 33 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ -0.0001363700000000, -0.0003173900000000, 0.0005075100000000 ] - [ 0.0011829600000000, 0.0084466500000000, 0.0040141500000000 ] - [ 0.0002208500000000, 0.0000106000000000, 0.0002135600000000 ] - [ -0.0082790600000000, -0.0005245000000000, 0.0171363600000000 ] - [ -0.0003561000000000, 0.0001611700000000, -0.0001472700000000 ] - [ 0.0015089900000000, -0.0042421200000000, 0.0018808900000000 ] - [ -0.0081962600000000, 0.0035890300000000, -0.0057568900000000 ] - [ -0.0023232700000000, -0.0015750700000000, -0.0002119100000000 ] - [ -0.0002274700000000, -0.0003264000000000, -0.0004118000000000 ] - [ 0.0003720200000000, 0.0008962600000000, -0.0003647800000000 ] - [ 0.0037237100000000, 0.0004856300000000, 0.0087924000000000 ] - [ 0.0027839100000000, -0.0008848200000000, 0.0015544200000000 ] - [ 0.0019285700000000, 0.0055215000000000, -0.0007356700000000 ] - [ -0.0002393500000000, -0.0000153500000000, -0.0002159300000000 ] - [ -0.0001474300000000, -0.0002644300000000, 0.0000163600000000 ] - [ 0.0002210700000000, 0.0003145200000000, 0.0002920500000000 ] - [ 0.0007825700000000, -0.0089410300000000, 0.0006954800000000 ] - [ 0.0001841100000000, -0.0000580400000000, 0.0002669300000000 ] - [ 0.0001811600000000, 0.0001223000000000, 0.0000100100000000 ] - [ 0.0000982900000000, -0.0000059000000000, -0.0003957400000000 ] - [ -0.0146046800000000, -0.0149102700000000, -0.0015842400000000 ] - [ -0.0027747000000000, 0.0014988700000000, -0.0001927400000000 ] - [ -0.0062969800000000, -0.0013477200000000, 0.0002779100000000 ] - [ -0.0190407800000000, 0.0134770800000000, 0.0005334500000000 ] - [ -0.0005677800000000, -0.0004272300000000, -0.0008069000000000 ] - [ 0.0019162700000000, -0.0015362500000000, -0.0042880500000000 ] - [ -0.0007183200000000, 0.0005653100000000, -0.0036110100000000 ] - [ 0.0000287300000000, 0.0001255200000000, -0.0001251600000000 ] - [ -0.0011668700000000, 0.0026261100000000, -0.0052741900000000 ] - [ -0.0073065800000000, -0.0000860700000000, 0.0094771100000000 ] - [ -0.0025335200000000, 0.0009245000000000, 0.0051753300000000 ] - [ -0.0018653500000000, 0.0005478000000000, -0.0026129900000000 ] - [ 0.2381176500000000, -0.0342338200000000, -0.6795806400000000 ] - [ -0.0029373600000000, 0.0003443000000000, 0.0003460100000000 ] - [ -0.0001034700000000, 0.0006536300000000, -0.0000856100000000 ] - [ 0.0004287700000000, 0.0008102200000000, -0.0006928900000000 ] - [ -0.0036488300000000, -0.0002713400000000, 0.0040454300000000 ] - [ 0.0026073900000000, -0.0002819800000000, 0.0012029100000000 ] - [ 0.0017373500000000, -0.0041273300000000, -0.0027664400000000 ] - [ -0.0044992600000000, 0.0005530300000000, 0.0060692700000000 ] - [ 0.0034964200000000, -0.0012265000000000, 0.0000857400000000 ] - [ -0.0593724700000000, 0.0110737600000000, 0.0370438400000000 ] - [ 0.0033358200000000, -0.0020465200000000, -0.0006694700000000 ] - [ -0.0009255100000000, 0.0001075900000000, 0.0003086000000000 ] - [ 0.0019332400000000, -0.0026372100000000, -0.0062272200000000 ] - [ 0.0001489800000000, -0.0001151300000000, 0.0007515500000000 ] - [ 0.0009776000000000, 0.0000374700000000, -0.0020504300000000 ] - [ 0.0008191700000000, -0.0006039500000000, 0.0001117300000000 ] - [ 0.0018262400000000, 0.0010001900000000, 0.0017502600000000 ] - [ 0.0058502800000000, -0.0045898100000000, -0.0042571600000000 ] - [ -0.0007002500000000, 0.0015167800000000, 0.0029337700000000 ] - [ 0.0005803000000000, -0.0004937300000000, -0.0010691000000000 ] - [ 0.0034131100000000, 0.0004598000000000, -0.0061206600000000 ] - [ -0.0009207000000000, 0.0007164400000000, -0.0001058200000000 ] - [ 0.0005980200000000, 0.0007840700000000, 0.0008878100000000 ] - [ -0.0001119700000000, 0.0009622200000000, 0.0008121600000000 ] - [ -0.0000956800000000, 0.0010966000000000, 0.0003317200000000 ] - [ 0.0004989900000000, -0.0003338300000000, -0.0018875700000000 ] - [ -0.0007745200000000, -0.0004129500000000, 0.0003172400000000 ] - [ -0.0006733700000000, -0.0006883800000000, -0.0001750200000000 ] - [ 0.0005672900000000, -0.0000131600000000, -0.0012823300000000 ] - [ -0.0004482900000000, 0.0000227500000000, 0.0000226600000000 ] - [ 0.0001775200000000, -0.0003793300000000, -0.0009717000000000 ] - [ 0.0003331000000000, -0.0007546000000000, 0.0006983500000000 ] - [ -0.0029506800000000, 0.0027761500000000, 0.0001465200000000 ] - [ 0.0010256800000000, -0.0014580200000000, -0.0050350000000000 ] - [ 0.0003195800000000, 0.0000707300000000, 0.0004547500000000 ] - [ -0.0004333800000000, -0.0000809700000000, 0.0008566700000000 ] - [ -0.0011630100000000, -0.0021741100000000, 0.0007184200000000 ] - [ 0.0008114700000000, 0.0031390900000000, -0.0063140200000000 ] - [ 0.0077407300000000, 0.0036163700000000, 0.0028257500000000 ] - [ 0.0033046000000000, -0.0002005000000000, -0.0004682000000000 ] - [ -0.1309596600000000, 0.1478592600000000, 0.2582665400000000 ] - [ 0.0006409100000000, 0.0000689700000000, -0.0008058400000000 ] - [ 0.0008759700000000, 0.0001867800000000, 0.0014642800000000 ] - [ 0.0009352600000000, -0.0003422100000000, -0.0021566200000000 ] - [ -0.0000520200000000, -0.0001452200000000, 0.0001276700000000 ] - [ -0.0012245300000000, -0.0006792300000000, 0.0015474800000000 ] - [ 0.0051993700000000, 0.0026011100000000, 0.0064941500000000 ] - [ 0.0018002500000000, -0.0003266200000000, -0.0020495200000000 ] - [ -0.0006866700000000, 0.0003733400000000, 0.0016079000000000 ] - [ 0.0036469200000000, 0.0034251200000000, -0.0004686000000000 ] - [ -0.0002977100000000, -0.0001721200000000, 0.0005839900000000 ] - [ -0.0008007100000000, -0.0000698700000000, 0.0005974000000000 ] - [ 0.0119883000000000, -0.0947079300000000, 0.3208896000000000 ] - [ 0.0008485500000000, -0.0000986300000000, -0.0006842800000000 ] - [ -0.0331684900000000, -0.0279107900000000, 0.0445585900000000 ] - [ 0.0018473900000000, 0.0003325200000000, -0.0000656700000000 ] - [ 0.0010368900000000, 0.0002668300000000, -0.0016828200000000 ] - [ 0.0012628100000000, -0.0063567600000000, 0.0037472800000000 ] - [ 0.0007799800000000, 0.0000444300000000, 0.0000805700000000 ] - [ -0.0029157200000000, -0.0008173100000000, 0.0008773600000000 ]- atom: 33 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ -0.0001588400000000, 0.0002625600000000, -0.0003894500000000 ] - [ -0.0014779600000000, -0.0085526300000000, -0.0038865600000000 ] - [ -0.0005414800000000, -0.0000921200000000, 0.0004112900000000 ] - [ 0.0079708400000000, 0.0004193600000000, -0.0165414100000000 ] - [ 0.0003678700000000, -0.0002265700000000, -0.0001542300000000 ] - [ -0.0015131600000000, 0.0042028500000000, -0.0021603800000000 ] - [ 0.0078508200000000, -0.0035803000000000, 0.0064664000000000 ] - [ 0.0019485200000000, 0.0016197600000000, 0.0008549800000000 ] - [ 0.0006068200000000, 0.0003775800000000, -0.0002393800000000 ] - [ 0.0000116100000000, -0.0008424700000000, -0.0002977300000000 ] - [ -0.0036662100000000, -0.0006424700000000, -0.0089033400000000 ] - [ -0.0028085700000000, 0.0007424300000000, -0.0016993000000000 ] - [ -0.0016169400000000, -0.0055263200000000, 0.0006062400000000 ] - [ 0.0005261500000000, -0.0000359800000000, 0.0000937900000000 ] - [ 0.0001504400000000, 0.0001366500000000, 0.0001246100000000 ] - [ -0.0002238200000000, -0.0004429000000000, -0.0001425800000000 ] - [ -0.0007570500000000, 0.0088189300000000, -0.0004077800000000 ] - [ -0.0001988100000000, -0.0000114700000000, 0.0000328200000000 ] - [ 0.0001386600000000, -0.0001899500000000, -0.0006361300000000 ] - [ 0.0002165300000000, -0.0000661800000000, -0.0002316100000000 ] - [ 0.0144872600000000, 0.0145185500000000, 0.0016597300000000 ] - [ 0.0026787700000000, -0.0019415900000000, 0.0000823200000000 ] - [ 0.0059555200000000, 0.0013429900000000, -0.0004513400000000 ] - [ 0.0186659600000000, -0.0134113100000000, -0.0009245000000000 ] - [ 0.0006398300000000, -0.0000004000000000, 0.0009059900000000 ] - [ -0.0018067600000000, 0.0011086900000000, 0.0043542100000000 ] - [ 0.0010717000000000, -0.0005336100000000, 0.0038065700000000 ] - [ 0.0003312000000000, -0.0001198500000000, 0.0002966400000000 ] - [ 0.0003393100000000, -0.0029609200000000, 0.0053326100000000 ] - [ 0.0064484600000000, -0.0001789300000000, -0.0094208900000000 ] - [ 0.0022788000000000, -0.0012019600000000, -0.0052236500000000 ] - [ 0.0015902100000000, -0.0008872600000000, 0.0025268200000000 ] - [ -0.2493990200000000, 0.0536498000000000, 0.6774527299999999 ] - [ 0.0026070300000000, 0.0006323600000000, -0.0001633800000000 ] - [ 0.0004245700000000, 0.0003441200000000, -0.0001033700000000 ] - [ -0.0000929300000000, 0.0002019500000000, 0.0005094700000000 ] - [ 0.0044558100000000, -0.0000988000000000, -0.0040691400000000 ] - [ -0.0017836500000000, -0.0000477600000000, -0.0012522100000000 ] - [ -0.0014870800000000, 0.0038028600000000, 0.0028489200000000 ] - [ 0.0047818100000000, -0.0009334000000000, -0.0059909000000000 ] - [ -0.0019635400000000, 0.0001891400000000, 0.0002883000000000 ] - [ 0.0613328500000000, -0.0122972200000000, -0.0369664500000000 ] - [ -0.0036731100000000, 0.0025324600000000, 0.0010279000000000 ] - [ 0.0005666100000000, 0.0003851700000000, 0.0000744400000000 ] - [ -0.0020055800000000, 0.0022721000000000, 0.0059124700000000 ] - [ -0.0001865500000000, -0.0001926500000000, -0.0010277100000000 ] - [ -0.0006644000000000, -0.0001867200000000, 0.0015461500000000 ] - [ -0.0005130900000000, 0.0004636100000000, -0.0005669900000000 ] - [ -0.0014706000000000, -0.0005096700000000, -0.0021394800000000 ] - [ -0.0054536100000000, 0.0050538400000000, 0.0039239200000000 ] - [ 0.0004601000000000, -0.0019312700000000, -0.0030661100000000 ] - [ -0.0008408800000000, 0.0001182200000000, 0.0009422500000000 ] - [ -0.0037498900000000, 0.0000210800000000, 0.0060157300000000 ] - [ 0.0006036400000000, -0.0002800200000000, 0.0000140700000000 ] - [ -0.0005712400000000, 0.0003843600000000, -0.0009969300000000 ] - [ 0.0001239700000000, 0.0002145000000000, -0.0009093900000000 ] - [ 0.0001414900000000, -0.0014129400000000, -0.0000535400000000 ] - [ -0.0004617600000000, 0.0000335700000000, 0.0021568100000000 ] - [ -0.0007662600000000, -0.0006411600000000, -0.0006959000000000 ] - [ -0.0008569800000000, -0.0003551100000000, -0.0001986800000000 ] - [ -0.0006982900000000, 0.0003342200000000, 0.0019821100000000 ] - [ 0.0003213500000000, 0.0002900300000000, 0.0006755000000000 ] - [ 0.0000214700000000, 0.0004662600000000, 0.0005254300000000 ] - [ -0.0001260100000000, 0.0008646000000000, -0.0011451500000000 ] - [ 0.0027621100000000, -0.0026731300000000, 0.0003096600000000 ] - [ -0.0012209700000000, 0.0016059500000000, 0.0054865400000000 ] - [ -0.0000872300000000, 0.0001481600000000, 0.0003174300000000 ] - [ 0.0006554300000000, 0.0002950500000000, -0.0000774200000000 ] - [ 0.0012914500000000, 0.0024939500000000, -0.0014150400000000 ] - [ -0.0006623000000000, -0.0028676300000000, 0.0056487600000000 ] - [ -0.0077436700000000, -0.0024545400000000, -0.0027580300000000 ] - [ -0.0033601900000000, 0.0013946700000000, 0.0006057100000000 ] - [ 0.1375287700000000, -0.1590617600000000, -0.2709793600000000 ] - [ -0.0008704700000000, 0.0001588700000000, 0.0000381300000000 ] - [ -0.0005545300000000, 0.0002518700000000, -0.0013714500000000 ] - [ -0.0006176500000000, 0.0007538100000000, 0.0022425100000000 ] - [ -0.0004131600000000, -0.0001228600000000, -0.0000564800000000 ] - [ 0.0007404900000000, 0.0003942500000000, -0.0014736000000000 ] - [ -0.0048447700000000, -0.0024884400000000, -0.0069122700000000 ] - [ -0.0014436600000000, 0.0004209600000000, 0.0016347400000000 ] - [ 0.0003902100000000, -0.0005138300000000, -0.0011500400000000 ] - [ -0.0039607000000000, -0.0035405200000000, 0.0009537100000000 ] - [ -0.0006087100000000, -0.0001566400000000, 0.0005423900000000 ] - [ -0.0001074500000000, -0.0002619100000000, 0.0005198400000000 ] - [ -0.0071872000000000, 0.0879667800000000, -0.3076946800000000 ] - [ 0.0000620300000000, -0.0002224500000000, -0.0004389800000000 ] - [ 0.0333670300000000, 0.0272780000000000, -0.0444579700000000 ] - [ -0.0013700000000000, -0.0005882500000000, -0.0000019800000000 ] - [ -0.0007834700000000, -0.0006500400000000, 0.0018001900000000 ] - [ -0.0010147900000000, 0.0059986800000000, -0.0036164800000000 ] - [ -0.0011064800000000, 0.0000614700000000, 0.0003486500000000 ] - [ 0.0025779400000000, 0.0009068400000000, -0.0004400800000000 ]- atom: 41 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ 0.0019936900000000, 0.0032291300000000, 0.0021116800000000 ] - [ -0.0012652200000000, -0.0003619400000000, -0.0006793300000000 ] - [ 0.0018287300000000, -0.0016348500000000, 0.0041307400000000 ] - [ -0.0022531900000000, -0.0007176700000000, -0.0011640200000000 ] - [ 0.0034170700000000, -0.0014704300000000, 0.0022574200000000 ] - [ -0.0020027800000000, 0.0002526500000000, -0.0012754700000000 ] - [ -0.0035410400000000, -0.0053478600000000, 0.0003394500000000 ] - [ -0.0044771800000000, 0.0013004900000000, -0.0003802100000000 ] - [ 0.0008680700000000, 0.0024991400000000, 0.0002608600000000 ] - [ -0.0007852000000000, -0.0004090900000000, -0.0006281900000000 ] - [ 0.0013388200000000, -0.0016318600000000, -0.0009806300000000 ] - [ -0.0021624500000000, -0.0006672200000000, -0.0031446500000000 ] - [ -0.0016064000000000, 0.0004777900000000, -0.0007940400000000 ] - [ 0.0031438000000000, -0.0017786900000000, -0.0007579700000000 ] - [ 0.0006128000000000, 0.0011438500000000, 0.0003053300000000 ] - [ -0.0005508500000000, 0.0000472000000000, -0.0002400400000000 ] - [ -0.0005723400000000, -0.0005373300000000, -0.0001445900000000 ] - [ 0.0011531700000000, 0.0034142100000000, -0.0004941800000000 ] - [ -0.0010946800000000, 0.0006337400000000, -0.0009826700000000 ] - [ 0.0013864400000000, 0.0005998700000000, 0.0003545500000000 ] - [ -0.0110034300000000, 0.0113335000000000, 0.0012020600000000 ] - [ -0.0162172900000000, -0.0068507400000000, -0.0000045700000000 ] - [ 0.0718952200000000, -0.0400137300000000, -0.0067288700000000 ] - [ -0.0069624700000000, 0.0002311100000000, -0.0009684000000000 ] - [ 0.0028898700000000, -0.0003597500000000, 0.0009793200000000 ] - [ -0.0022965200000000, 0.0006971800000000, -0.0009646600000000 ] - [ 0.0003945900000000, 0.0000808300000000, 0.0004968200000000 ] - [ -0.0002732100000000, 0.0023702300000000, -0.0005837600000000 ] - [ -0.0040446600000000, 0.0024440200000000, 0.0115908200000000 ] - [ -0.0060580600000000, -0.0007286200000000, -0.0039374000000000 ] - [ -0.0072983400000000, 0.0038162400000000, -0.0106160700000000 ] - [ -0.0037842200000000, -0.0017848600000000, 0.0015669900000000 ] - [ -0.0089586200000000, -0.0031280700000000, -0.0010074200000000 ] - [ 0.2310121000000000, -0.0361462700000000, 0.0396876100000000 ] - [ 0.0026845700000000, 0.0022431900000000, 0.0010827300000000 ] - [ -0.0020277300000000, 0.0020522500000000, -0.0010185400000000 ] - [ 0.0013054000000000, -0.0025059500000000, 0.0009586900000000 ] - [ -0.0023111000000000, 0.0037827700000000, -0.0013101300000000 ] - [ 0.0018049200000000, -0.0005965800000000, 0.0017148600000000 ] - [ -0.0031280600000000, 0.0014037300000000, -0.0011701600000000 ] - [ -0.4279317300000000, 0.1394811900000000, -0.0384538000000000 ] - [ 0.0064659900000000, -0.0016493900000000, 0.0008439900000000 ] - [ -0.0001556500000000, 0.0008077100000000, -0.0001630400000000 ] - [ 0.0006270100000000, -0.0018496200000000, 0.0007770100000000 ] - [ 0.0018160000000000, -0.0002545000000000, 0.0032059300000000 ] - [ 0.0000118900000000, 0.0015332700000000, -0.0002096700000000 ] - [ 0.0032306600000000, -0.0038415200000000, 0.0020385100000000 ] - [ 0.0036605100000000, 0.0029560300000000, -0.0035391300000000 ] - [ 0.0000930400000000, -0.0148779200000000, -0.0162845200000000 ] - [ 0.0031045800000000, 0.0005033500000000, 0.0008398300000000 ] - [ -0.0009408100000000, -0.0001212800000000, -0.0010569500000000 ] - [ 0.0015754200000000, -0.0016094100000000, 0.0007704500000000 ] - [ 0.0001863500000000, 0.0023679800000000, 0.0005851100000000 ] - [ 0.0011570200000000, -0.0027058100000000, 0.0004661800000000 ] - [ -0.0009568800000000, -0.0000122300000000, -0.0003604800000000 ] - [ 0.0012928200000000, 0.0000230000000000, 0.0002685600000000 ] - [ -0.0008292500000000, -0.0002580600000000, -0.0006863500000000 ] - [ 0.0010813100000000, -0.0011181400000000, 0.0010231100000000 ] - [ 0.0002768600000000, -0.0009690900000000, 0.0000075800000000 ] - [ -0.0024807100000000, -0.0015320500000000, -0.0003368100000000 ] - [ -0.0002048200000000, 0.0004435700000000, 0.0004506900000000 ] - [ 0.0002813300000000, -0.0013674100000000, 0.0001267200000000 ] - [ 0.0012091500000000, -0.0031638900000000, 0.0031210000000000 ] - [ 0.0006873600000000, 0.0013438800000000, -0.0010424700000000 ] - [ -0.0013759200000000, 0.0004895400000000, -0.0018681500000000 ] - [ 0.0019598800000000, -0.0008454900000000, 0.0011520500000000 ] - [ -0.0014695300000000, -0.0005660600000000, 0.0002160400000000 ] - [ 0.0011033000000000, -0.0005632300000000, 0.0010638900000000 ] - [ -0.0008304200000000, 0.0016801800000000, -0.0044855000000000 ] - [ 0.0021201000000000, 0.0003824700000000, 0.0012886100000000 ] - [ 0.0556679300000000, -0.0288808800000000, -0.0046174300000000 ] - [ 0.0070585300000000, 0.0017658500000000, 0.0003191900000000 ] - [ 0.0026312400000000, 0.0013647400000000, 0.0004959200000000 ] - [ 0.0301682300000000, -0.0143590300000000, -0.0076411400000000 ] - [ -0.0002205300000000, -0.0028420200000000, -0.0035585600000000 ] - [ 0.0021511100000000, 0.0013304700000000, 0.0016804400000000 ] - [ -0.0018600300000000, -0.0010906500000000, -0.0003014800000000 ] - [ 0.0015337700000000, -0.0012985700000000, 0.0003318000000000 ] - [ 0.0011318000000000, -0.0034408800000000, -0.0044461900000000 ] - [ 0.0054773000000000, 0.0026117900000000, 0.0046477900000000 ] - [ -0.0019912700000000, 0.0005578200000000, -0.0006121700000000 ] - [ 0.0013590100000000, -0.0003156400000000, 0.0002383000000000 ] - [ -0.0018077800000000, -0.0010204300000000, -0.0006694400000000 ] - [ 0.0005736000000000, -0.0006091600000000, 0.0012166000000000 ] - [ 0.0024709700000000, 0.0009030800000000, -0.0001925800000000 ] - [ 0.0168719200000000, -0.0068417500000000, 0.0171272700000000 ] - [ 0.0083214300000000, 0.0013867000000000, 0.0000336200000000 ] - [ 0.0375523200000000, 0.0210213300000000, 0.0034776100000000 ] - [ 0.0027654700000000, -0.0227760000000000, 0.0119356200000000 ] - [ 0.0026924300000000, 0.0000503400000000, 0.0005422000000000 ] - [ -0.0019808500000000, 0.0011563400000000, -0.0005162900000000 ] - [ 0.0016142800000000, -0.0007621200000000, 0.0016866200000000 ]- atom: 41 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ -0.0022592600000000, -0.0032658800000000, -0.0019744500000000 ] - [ 0.0009654800000000, 0.0003042600000000, 0.0007990200000000 ] - [ -0.0021291400000000, 0.0015431400000000, -0.0034670000000000 ] - [ 0.0019206000000000, 0.0006380200000000, 0.0017832400000000 ] - [ -0.0033694800000000, 0.0014046700000000, -0.0025364700000000 ] - [ 0.0019986000000000, -0.0003213600000000, 0.0009721600000000 ] - [ 0.0030825200000000, 0.0053513900000000, 0.0003198300000000 ] - [ 0.0040697300000000, -0.0012469900000000, 0.0010271800000000 ] - [ -0.0004874300000000, -0.0024300000000000, -0.0009155900000000 ] - [ 0.0011573500000000, 0.0004506900000000, -0.0000308700000000 ] - [ -0.0013498400000000, 0.0014849400000000, 0.0007953100000000 ] - [ 0.0021456600000000, 0.0005320100000000, 0.0029796300000000 ] - [ 0.0018844000000000, -0.0005334000000000, 0.0006616300000000 ] - [ -0.0028183600000000, 0.0017121500000000, 0.0006312200000000 ] - [ -0.0006047400000000, -0.0012669900000000, -0.0001510000000000 ] - [ 0.0005494800000000, -0.0001814500000000, 0.0003893500000000 ] - [ 0.0005592100000000, 0.0004669300000000, 0.0004386100000000 ] - [ -0.0011507300000000, -0.0034668800000000, 0.0007917100000000 ] - [ 0.0014010900000000, -0.0007045800000000, 0.0003530400000000 ] - [ -0.0010548900000000, -0.0006694400000000, -0.0009720800000000 ] - [ 0.0108037400000000, -0.0117305500000000, -0.0013027400000000 ] - [ 0.0160106200000000, 0.0064020200000000, -0.0000831800000000 ] - [ -0.0749390900000000, 0.0442793800000000, 0.0072445100000000 ] - [ 0.0065608900000000, -0.0002267100000000, 0.0007807700000000 ] - [ -0.0027834500000000, -0.0000845900000000, -0.0008807800000000 ] - [ 0.0023649300000000, -0.0011208800000000, 0.0010470000000000 ] - [ -0.0000426000000000, -0.0000729400000000, -0.0003122000000000 ] - [ 0.0006291500000000, -0.0023451600000000, 0.0007573500000000 ] - [ 0.0031199100000000, -0.0027762600000000, -0.0114429900000000 ] - [ 0.0052007600000000, 0.0003886500000000, 0.0039615700000000 ] - [ 0.0068931100000000, -0.0041634500000000, 0.0104345800000000 ] - [ 0.0034742900000000, 0.0014352400000000, -0.0016389200000000 ] - [ 0.0085909000000000, 0.0041104200000000, 0.0011818700000000 ] - [ -0.2151221800000000, 0.0343119900000000, -0.0359111600000000 ] - [ -0.0023315200000000, -0.0012432700000000, -0.0012605000000000 ] - [ 0.0023376300000000, -0.0010541500000000, 0.0008233800000000 ] - [ -0.0005062000000000, 0.0021581300000000, -0.0010199700000000 ] - [ 0.0031044500000000, -0.0040873800000000, 0.0012471100000000 ] - [ -0.0015281300000000, 0.0002549900000000, -0.0016033800000000 ] - [ 0.0033903500000000, -0.0017332300000000, 0.0012538500000000 ] - [ 0.4149630400000000, -0.1420383900000000, 0.0343358900000000 ] - [ -0.0049012100000000, 0.0006004000000000, -0.0004631700000000 ] - [ -0.0001918400000000, -0.0003098900000000, 0.0005396200000000 ] - [ -0.0009757600000000, 0.0023263400000000, -0.0003931300000000 ] - [ -0.0018293300000000, -0.0000481700000000, -0.0034542400000000 ] - [ -0.0000548600000000, -0.0018334900000000, -0.0000703500000000 ] - [ -0.0028737500000000, 0.0037160800000000, -0.0025058100000000 ] - [ -0.0033168500000000, -0.0030654300000000, 0.0030412600000000 ] - [ 0.0005042100000000, 0.0151613300000000, 0.0156684500000000 ] - [ -0.0027297900000000, -0.0000051300000000, -0.0012099600000000 ] - [ 0.0006778500000000, -0.0002647700000000, 0.0009136500000000 ] - [ -0.0018284500000000, 0.0012159700000000, -0.0009028300000000 ] - [ -0.0004953800000000, -0.0019211300000000, -0.0006694000000000 ] - [ -0.0014633600000000, 0.0031227800000000, -0.0005563200000000 ] - [ 0.0009720000000000, 0.0011876200000000, 0.0002539900000000 ] - [ -0.0012676800000000, 0.0011504000000000, -0.0003692800000000 ] - [ 0.0008656000000000, -0.0000482100000000, 0.0009470400000000 ] - [ -0.0010326100000000, 0.0008019400000000, -0.0007438600000000 ] - [ -0.0017986200000000, -0.0000725200000000, -0.0003816300000000 ] - [ 0.0009307400000000, 0.0004844800000000, -0.0000407300000000 ] - [ 0.0000790100000000, -0.0001244400000000, 0.0002575700000000 ] - [ -0.0004076400000000, 0.0016722300000000, 0.0005729000000000 ] - [ -0.0009843600000000, 0.0032479500000000, -0.0035294400000000 ] - [ -0.0004778900000000, -0.0012233100000000, 0.0005913400000000 ] - [ 0.0011611900000000, -0.0003781700000000, 0.0022983800000000 ] - [ -0.0021545000000000, 0.0009502500000000, -0.0007048700000000 ] - [ 0.0016825300000000, 0.0007828700000000, 0.0005551200000000 ] - [ -0.0008666700000000, 0.0007821400000000, -0.0002851900000000 ] - [ 0.0009603500000000, -0.0013539200000000, 0.0037611700000000 ] - [ -0.0019773800000000, -0.0000651100000000, -0.0019791600000000 ] - [ -0.0566564700000000, 0.0305473000000000, 0.0048335800000000 ] - [ -0.0070338800000000, -0.0005824100000000, -0.0002109100000000 ] - [ -0.0028475400000000, -0.0011384900000000, -0.0012638700000000 ] - [ -0.0296138300000000, 0.0141429500000000, 0.0065653800000000 ] - [ 0.0005483500000000, 0.0032446400000000, 0.0036084100000000 ] - [ -0.0018166800000000, -0.0008812100000000, -0.0015772500000000 ] - [ 0.0013709400000000, 0.0008246500000000, 0.0003713800000000 ] - [ -0.0019943800000000, 0.0010263000000000, -0.0002569100000000 ] - [ -0.0007645000000000, 0.0035433700000000, 0.0040087100000000 ] - [ -0.0051000900000000, -0.0024894900000000, -0.0050416100000000 ] - [ 0.0016813900000000, -0.0006814200000000, 0.0010611500000000 ] - [ -0.0016604600000000, 0.0001729200000000, 0.0002271100000000 ] - [ 0.0008887800000000, 0.0006892600000000, 0.0017840000000000 ] - [ -0.0014728900000000, 0.0002829500000000, -0.0000860100000000 ] - [ -0.0015547100000000, -0.0012251200000000, -0.0009232300000000 ] - [ -0.0158012200000000, 0.0063994900000000, -0.0178890100000000 ] - [ -0.0078342800000000, -0.0016316800000000, -0.0001021400000000 ] - [ -0.0363258500000000, -0.0207956400000000, -0.0034388200000000 ] - [ -0.0022341100000000, 0.0222123900000000, -0.0116423000000000 ] - [ -0.0024131400000000, -0.0004324600000000, -0.0004017100000000 ] - [ 0.0016556800000000, -0.0010360400000000, 0.0009607900000000 ] - [ -0.0019275200000000, 0.0008535700000000, -0.0012343900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001660000000000, -0.0027541400000000, -0.0010981100000000 ] - [ -0.0000105700000000, 0.0000696700000000, 0.0003473700000000 ] - [ -0.0007026400000000, 0.0022633100000000, -0.0010086000000000 ] - [ 0.0004041700000000, 0.0010993300000000, 0.0006566200000000 ] - [ -0.0021425000000000, -0.0007361200000000, 0.0000312700000000 ] - [ 0.0009509000000000, -0.0002065400000000, 0.0002049200000000 ] - [ -0.0036147600000000, 0.0013096400000000, 0.0000849300000000 ] - [ 0.0023854200000000, -0.0001516600000000, 0.0009564900000000 ] - [ 0.0003137000000000, -0.0028025300000000, -0.0008147000000000 ] - [ 0.0003272500000000, -0.0003777400000000, -0.0002241100000000 ] - [ -0.0008156100000000, 0.0022802200000000, -0.0014980100000000 ] - [ 0.0012020300000000, 0.0009103800000000, 0.0015836600000000 ] - [ 0.0010273800000000, -0.0001701800000000, 0.0006307600000000 ] - [ -0.0015545400000000, -0.0000711200000000, -0.0010667500000000 ] - [ -0.0002546500000000, -0.0019534900000000, 0.0000742200000000 ] - [ 0.0001888600000000, -0.0007038000000000, 0.0001344200000000 ] - [ -0.0001340500000000, 0.0001520200000000, -0.0001032300000000 ] - [ 0.0003677000000000, -0.0022322900000000, 0.0009704700000000 ] - [ 0.0007221100000000, -0.0012093000000000, -0.0000241900000000 ] - [ -0.0003584600000000, -0.0013624900000000, -0.0005682400000000 ] - [ 0.0044910200000000, -0.0014021200000000, -0.0002722700000000 ] - [ -0.0043185800000000, 0.0002188900000000, 0.0001722200000000 ] - [ -0.0486599500000000, 0.1097247100000000, 0.0163908700000000 ] - [ 0.0012069300000000, 0.0005419300000000, 0.0003154300000000 ] - [ -0.0000104500000000, -0.0041410100000000, -0.0001935000000000 ] - [ 0.0010145000000000, -0.0010396900000000, 0.0005737800000000 ] - [ -0.0007722800000000, -0.0019789300000000, -0.0000954800000000 ] - [ 0.0003189500000000, -0.0021162500000000, 0.0006768000000000 ] - [ 0.0081824000000000, -0.0003197000000000, -0.0089445900000000 ] - [ 0.0000696700000000, 0.0009001300000000, -0.0001576900000000 ] - [ 0.0126635600000000, 0.0010685400000000, 0.0119412400000000 ] - [ -0.0006964700000000, 0.0011999600000000, 0.0008628100000000 ] - [ 0.0022914100000000, 0.0039368000000000, 0.0004535700000000 ] - [ -0.0314569800000000, 0.0636460300000000, -0.0015064300000000 ] - [ -0.0007022300000000, -0.0041301400000000, -0.0006226000000000 ] - [ 0.0003131100000000, -0.0016920100000000, 0.0001625400000000 ] - [ -0.0027407000000000, -0.0018388700000000, -0.0026071800000000 ] - [ 0.0022229200000000, -0.0029229500000000, 0.0008698600000000 ] - [ -0.0029632600000000, -0.0026293100000000, 0.0013326200000000 ] - [ 0.0016313200000000, -0.0010808400000000, 0.0006036200000000 ] - [ 0.1449118800000000, -0.2270565200000000, -0.0166749100000000 ] - [ -0.0003749100000000, -0.0010542400000000, -0.0000819400000000 ] - [ 0.0007428400000000, 0.0008901000000000, 0.0000564000000000 ] - [ -0.0007645300000000, 0.0017343200000000, -0.0003895100000000 ] - [ -0.0019078200000000, -0.0023199700000000, -0.0029578100000000 ] - [ 0.0003187600000000, -0.0017871700000000, -0.0004079300000000 ] - [ -0.0042318800000000, 0.0001828700000000, -0.0001491600000000 ] - [ 0.0013559000000000, -0.0000532900000000, -0.0009298400000000 ] - [ -0.0150718700000000, 0.0203271700000000, 0.0255982900000000 ] - [ -0.0003750400000000, -0.0001334800000000, -0.0006265300000000 ] - [ 0.0010261400000000, 0.0008303300000000, 0.0007209100000000 ] - [ -0.0010476700000000, 0.0007775700000000, -0.0004446100000000 ] - [ 0.0007766300000000, 0.0002475000000000, 0.0007799600000000 ] - [ -0.0013729400000000, 0.0020084600000000, -0.0004848000000000 ] - [ 0.0009792100000000, 0.0027330300000000, 0.0000438000000000 ] - [ -0.0005323000000000, 0.0013444100000000, -0.0002508700000000 ] - [ 0.0005437400000000, 0.0014195900000000, -0.0003977900000000 ] - [ -0.0003378900000000, 0.0005797800000000, -0.0002340400000000 ] - [ -0.0003231200000000, 0.0008658900000000, -0.0002861600000000 ] - [ 0.0002514500000000, 0.0009288300000000, -0.0001797600000000 ] - [ 0.0003529700000000, 0.0014158300000000, 0.0012318000000000 ] - [ -0.0004099600000000, 0.0014279000000000, 0.0004410800000000 ] - [ -0.0021164900000000, 0.0032561500000000, -0.0045707800000000 ] - [ 0.0003456200000000, -0.0001022600000000, -0.0002161500000000 ] - [ 0.0008186000000000, 0.0005760800000000, 0.0008230800000000 ] - [ -0.0010749500000000, 0.0004285900000000, -0.0001493400000000 ] - [ 0.0010465500000000, 0.0021831700000000, 0.0001207800000000 ] - [ -0.0000852700000000, 0.0011054500000000, -0.0002200300000000 ] - [ -0.0005639900000000, -0.0023004900000000, 0.0023673000000000 ] - [ -0.0006532700000000, -0.0006015400000000, -0.0005173100000000 ] - [ -0.0159551300000000, -0.0020049100000000, 0.0011263000000000 ] - [ 0.0003011200000000, -0.0016788300000000, -0.0002494900000000 ] - [ -0.0004599100000000, -0.0012379700000000, -0.0009387700000000 ] - [ -0.0287399300000000, 0.0026832100000000, 0.0059723400000000 ] - [ -0.0009067900000000, 0.0034861900000000, 0.0033066300000000 ] - [ -0.0002655300000000, 0.0001680100000000, -0.0001142000000000 ] - [ -0.0010960500000000, 0.0028301800000000, 0.0001872000000000 ] - [ -0.0009552100000000, 0.0010230300000000, -0.0000354600000000 ] - [ -0.0024519300000000, 0.0006876400000000, 0.0003567000000000 ] - [ 0.0009174000000000, 0.0001188700000000, 0.0003458200000000 ] - [ 0.0014769600000000, 0.0030558300000000, -0.0008972900000000 ] - [ -0.0007801300000000, 0.0001474300000000, 0.0003379100000000 ] - [ 0.0002214000000000, 0.0018151900000000, 0.0014790200000000 ] - [ -0.0007332700000000, 0.0006333700000000, 0.0005410000000000 ] - [ 0.0000921600000000, -0.0014178000000000, -0.0003397800000000 ] - [ -0.0155804800000000, -0.0056382800000000, -0.0136456400000000 ] - [ -0.0031792900000000, -0.0021539800000000, -0.0000531500000000 ] - [ 0.0267367600000000, 0.0004473700000000, 0.0025810300000000 ] - [ -0.0215773900000000, 0.0349793300000000, -0.0221116100000000 ] - [ -0.0001690500000000, -0.0005567700000000, -0.0000309200000000 ] - [ 0.0018231600000000, 0.0028387300000000, 0.0016575000000000 ] - [ -0.0011659200000000, 0.0006217400000000, -0.0007140800000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001408300000000, 0.0026800500000000, 0.0012115400000000 ] - [ -0.0002764600000000, -0.0001254300000000, -0.0002196300000000 ] - [ 0.0003746800000000, -0.0023295000000000, 0.0016203100000000 ] - [ -0.0007086200000000, -0.0011695100000000, -0.0000222000000000 ] - [ 0.0021269500000000, 0.0006817800000000, -0.0003433900000000 ] - [ -0.0009281400000000, 0.0001389700000000, -0.0004966900000000 ] - [ 0.0032060900000000, -0.0012632700000000, 0.0005730200000000 ] - [ -0.0027364400000000, 0.0001902100000000, -0.0002987100000000 ] - [ 0.0000640300000000, 0.0028284200000000, 0.0001524300000000 ] - [ 0.0000591900000000, 0.0004263600000000, -0.0004298800000000 ] - [ 0.0008057700000000, -0.0024045700000000, 0.0013454300000000 ] - [ -0.0011889400000000, -0.0010376700000000, -0.0017026600000000 ] - [ -0.0007239000000000, 0.0001130300000000, -0.0007473600000000 ] - [ 0.0018252700000000, 0.0000288400000000, 0.0009469800000000 ] - [ 0.0002505100000000, 0.0018109500000000, 0.0000709600000000 ] - [ -0.0001858700000000, 0.0005702600000000, 0.0000103200000000 ] - [ 0.0001286300000000, -0.0002193400000000, 0.0004031900000000 ] - [ -0.0003880800000000, 0.0021389400000000, -0.0006704900000000 ] - [ -0.0003953800000000, 0.0011272800000000, -0.0005976600000000 ] - [ 0.0006659100000000, 0.0012812900000000, -0.0000636800000000 ] - [ -0.0045401700000000, 0.0009543500000000, 0.0001772500000000 ] - [ 0.0043675300000000, -0.0006207500000000, -0.0002654300000000 ] - [ 0.0430258600000000, -0.1046249000000000, -0.0153000700000000 ] - [ -0.0015266500000000, -0.0005348400000000, -0.0004918500000000 ] - [ 0.0000792900000000, 0.0037118800000000, 0.0002789200000000 ] - [ -0.0009149900000000, 0.0006009300000000, -0.0004781700000000 ] - [ 0.0011307200000000, 0.0019800200000000, 0.0002756200000000 ] - [ 0.0000398200000000, 0.0021047700000000, -0.0004930200000000 ] - [ -0.0089602600000000, -0.0000209300000000, 0.0089606300000000 ] - [ -0.0008484100000000, -0.0012301700000000, 0.0002397200000000 ] - [ -0.0128547400000000, -0.0013813600000000, -0.0119560200000000 ] - [ 0.0004348700000000, -0.0015297200000000, -0.0009688800000000 ] - [ -0.0025729800000000, -0.0029241000000000, -0.0002580400000000 ] - [ 0.0302011500000000, -0.0624062100000000, 0.0015597200000000 ] - [ 0.0010102800000000, 0.0051049600000000, 0.0004263300000000 ] - [ 0.0000309400000000, 0.0026688700000000, -0.0003422400000000 ] - [ 0.0035572300000000, 0.0015012200000000, 0.0025499600000000 ] - [ -0.0013940600000000, 0.0025628200000000, -0.0009189800000000 ] - [ 0.0032417700000000, 0.0022802000000000, -0.0012501000000000 ] - [ -0.0013278600000000, 0.0007276200000000, -0.0005041500000000 ] - [ -0.1366263100000000, 0.2195025900000000, 0.0159572300000000 ] - [ 0.0018775900000000, 0.0000181000000000, 0.0004539900000000 ] - [ -0.0010983000000000, -0.0003932000000000, 0.0003224600000000 ] - [ 0.0004056400000000, -0.0012248300000000, 0.0007646200000000 ] - [ 0.0018496600000000, 0.0019928000000000, 0.0026572200000000 ] - [ -0.0003581700000000, 0.0014665500000000, 0.0001354100000000 ] - [ 0.0044983600000000, -0.0003189400000000, -0.0003078500000000 ] - [ -0.0010700000000000, -0.0001051300000000, 0.0004895300000000 ] - [ 0.0152095500000000, -0.0195324700000000, -0.0255491300000000 ] - [ 0.0007089500000000, 0.0006270500000000, 0.0002413100000000 ] - [ -0.0012865500000000, -0.0012106700000000, -0.0008538400000000 ] - [ 0.0007745100000000, -0.0011497100000000, 0.0003029600000000 ] - [ -0.0010965900000000, 0.0001879700000000, -0.0008695900000000 ] - [ 0.0010495700000000, -0.0015532900000000, 0.0003899500000000 ] - [ -0.0009570300000000, -0.0015518700000000, -0.0001464500000000 ] - [ 0.0005422000000000, -0.0001629800000000, 0.0001450000000000 ] - [ -0.0004995600000000, -0.0017217300000000, 0.0006737700000000 ] - [ 0.0003717200000000, -0.0008816000000000, 0.0005017700000000 ] - [ -0.0012170800000000, -0.0019023000000000, -0.0000911700000000 ] - [ -0.0017704900000000, -0.0019608400000000, -0.0001943600000000 ] - [ -0.0004824900000000, -0.0010955100000000, -0.0005320600000000 ] - [ 0.0002806300000000, -0.0011017400000000, 0.0002618700000000 ] - [ 0.0022963200000000, -0.0031057600000000, 0.0040717500000000 ] - [ -0.0001430700000000, 0.0002008200000000, -0.0002188600000000 ] - [ -0.0010182400000000, -0.0004660800000000, -0.0003698200000000 ] - [ 0.0008550200000000, -0.0003134500000000, 0.0005861500000000 ] - [ -0.0008062400000000, -0.0019544900000000, 0.0006538400000000 ] - [ 0.0003063200000000, -0.0008775300000000, 0.0009866100000000 ] - [ 0.0006859900000000, 0.0025952200000000, -0.0030309900000000 ] - [ 0.0007685400000000, 0.0009158500000000, -0.0001944900000000 ] - [ 0.0157682400000000, 0.0031178000000000, -0.0009990900000000 ] - [ -0.0003560800000000, 0.0028488300000000, 0.0003546800000000 ] - [ 0.0002183500000000, 0.0014527900000000, 0.0001605100000000 ] - [ 0.0287042000000000, -0.0023530000000000, -0.0068779700000000 ] - [ 0.0012187600000000, -0.0030112700000000, -0.0031846000000000 ] - [ 0.0005689800000000, 0.0002607600000000, 0.0001913500000000 ] - [ 0.0006327200000000, -0.0030836000000000, -0.0001122900000000 ] - [ 0.0004686800000000, -0.0012763400000000, 0.0001057000000000 ] - [ 0.0027637400000000, -0.0005799500000000, -0.0007889100000000 ] - [ -0.0006256100000000, -0.0000373900000000, -0.0008182500000000 ] - [ -0.0017826600000000, -0.0032069400000000, 0.0013774100000000 ] - [ 0.0004587500000000, -0.0002843900000000, 0.0001284400000000 ] - [ -0.0011176100000000, -0.0021321600000000, -0.0003439800000000 ] - [ -0.0001809100000000, -0.0009544900000000, 0.0005800400000000 ] - [ 0.0008033800000000, 0.0010859100000000, -0.0007897700000000 ] - [ 0.0164715000000000, 0.0054615900000000, 0.0125759000000000 ] - [ 0.0036053200000000, 0.0018773000000000, -0.0000198000000000 ] - [ -0.0262167900000000, -0.0007776100000000, -0.0026564600000000 ] - [ 0.0214336300000000, -0.0346221100000000, 0.0218030300000000 ] - [ 0.0004155400000000, 0.0001702000000000, 0.0001679200000000 ] - [ -0.0021462200000000, -0.0027537600000000, -0.0012200100000000 ] - [ 0.0008299600000000, -0.0005167600000000, 0.0011462900000000 ]- atom: 41 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ -0.0006824000000000, -0.0024848600000000, -0.0011195000000000 ] - [ 0.0000386200000000, 0.0001216200000000, 0.0002207700000000 ] - [ 0.0003120500000000, 0.0009682300000000, -0.0036095000000000 ] - [ 0.0000184300000000, 0.0001377000000000, 0.0006575500000000 ] - [ -0.0002324600000000, 0.0016842700000000, -0.0015322000000000 ] - [ 0.0004801500000000, -0.0001774900000000, 0.0002270100000000 ] - [ 0.0005358700000000, 0.0019355200000000, 0.0017773100000000 ] - [ 0.0018127100000000, -0.0004194200000000, 0.0014608500000000 ] - [ 0.0000457300000000, -0.0011801500000000, 0.0004250100000000 ] - [ 0.0004699400000000, 0.0001375200000000, -0.0003046600000000 ] - [ -0.0008402900000000, 0.0002281100000000, -0.0030456600000000 ] - [ 0.0000647900000000, -0.0001279100000000, -0.0003930200000000 ] - [ 0.0008912700000000, -0.0001645700000000, -0.0001859800000000 ] - [ -0.0017696200000000, -0.0002049400000000, 0.0001495700000000 ] - [ 0.0001952500000000, -0.0006407500000000, -0.0002021000000000 ] - [ 0.0000840000000000, -0.0001288100000000, 0.0001551900000000 ] - [ 0.0001314300000000, 0.0000842700000000, 0.0000194300000000 ] - [ -0.0002613000000000, 0.0001539400000000, 0.0004751700000000 ] - [ 0.0003684800000000, -0.0001995400000000, -0.0001926500000000 ] - [ -0.0003447200000000, -0.0005573900000000, -0.0006352400000000 ] - [ 0.0046548500000000, -0.0052521800000000, 0.0001825300000000 ] - [ 0.0060478200000000, 0.0022990800000000, -0.0013819400000000 ] - [ -0.0383494700000000, 0.0316272500000000, 0.0336886800000000 ] - [ 0.0021918000000000, 0.0000916400000000, -0.0000669200000000 ] - [ -0.0007918900000000, -0.0004108900000000, 0.0013135700000000 ] - [ 0.0007034900000000, -0.0004588000000000, 0.0003871100000000 ] - [ 0.0000999200000000, -0.0002185900000000, 0.0003726300000000 ] - [ 0.0003525500000000, -0.0008591500000000, 0.0007847400000000 ] - [ 0.0093647700000000, -0.0001369000000000, -0.0109402600000000 ] - [ 0.0011598600000000, -0.0005087100000000, 0.0015890100000000 ] - [ -0.0023721300000000, -0.0008703100000000, 0.0012089700000000 ] - [ 0.0009069500000000, -0.0000288900000000, -0.0014651300000000 ] - [ 0.0028350100000000, 0.0022745200000000, 0.0001183700000000 ] - [ -0.0601915300000000, 0.0147913300000000, 0.0374434400000000 ] - [ -0.0006415700000000, -0.0005616200000000, 0.0000390600000000 ] - [ 0.0007981800000000, -0.0000494300000000, 0.0001721000000000 ] - [ -0.0005872100000000, -0.0006982500000000, -0.0003484500000000 ] - [ 0.0017362300000000, -0.0013578500000000, -0.0002669500000000 ] - [ 0.0005028400000000, 0.0000197900000000, -0.0011371800000000 ] - [ 0.0006951500000000, 0.0000498700000000, 0.0007098700000000 ] - [ 0.1469416900000000, -0.0755801200000000, -0.0647901100000000 ] - [ -0.0010572600000000, -0.0002861000000000, 0.0000782200000000 ] - [ 0.0001476500000000, 0.0003926800000000, -0.0001184700000000 ] - [ -0.0008900600000000, 0.0012119500000000, 0.0001544400000000 ] - [ 0.0003832900000000, -0.0007165700000000, -0.0007690200000000 ] - [ 0.0000166900000000, -0.0003257900000000, 0.0007976500000000 ] - [ 0.0006520300000000, 0.0020997800000000, -0.0022692400000000 ] - [ -0.0009466500000000, -0.0008742800000000, 0.0010801700000000 ] - [ -0.0132818400000000, 0.0278860600000000, 0.0197938700000000 ] - [ -0.0007566400000000, 0.0001771400000000, -0.0004840100000000 ] - [ -0.0000578800000000, -0.0002108900000000, 0.0002089500000000 ] - [ -0.0005053200000000, -0.0000082700000000, -0.0006717200000000 ] - [ 0.0003510900000000, 0.0004100500000000, -0.0000202000000000 ] - [ -0.0011777400000000, 0.0009993700000000, 0.0007705200000000 ] - [ 0.0002935600000000, 0.0009049300000000, -0.0004063100000000 ] - [ -0.0003702000000000, 0.0007659800000000, -0.0002522200000000 ] - [ 0.0001295100000000, 0.0000297800000000, 0.0006027200000000 ] - [ -0.0001728400000000, -0.0000929000000000, -0.0000854200000000 ] - [ -0.0010337500000000, -0.0002448600000000, -0.0003395000000000 ] - [ -0.0001740700000000, -0.0000990800000000, -0.0002612600000000 ] - [ -0.0000229300000000, 0.0004274500000000, 0.0005368600000000 ] - [ -0.0002207800000000, 0.0007010800000000, 0.0006545300000000 ] - [ 0.0001600300000000, 0.0002022200000000, -0.0001106400000000 ] - [ 0.0000856300000000, -0.0001805700000000, 0.0002174000000000 ] - [ -0.0003068200000000, -0.0000080900000000, 0.0019060100000000 ] - [ -0.0001258700000000, -0.0001535700000000, 0.0000285000000000 ] - [ 0.0008266700000000, 0.0007445600000000, 0.0000801500000000 ] - [ -0.0001991400000000, 0.0003656600000000, 0.0002522600000000 ] - [ -0.0014516500000000, -0.0018382900000000, 0.0040875800000000 ] - [ -0.0002366500000000, 0.0003913600000000, -0.0008946300000000 ] - [ -0.0247278800000000, 0.0132437100000000, -0.0030986600000000 ] - [ -0.0025791900000000, -0.0000342600000000, -0.0002079200000000 ] - [ -0.0009418900000000, -0.0004703800000000, -0.0006682200000000 ] - [ -0.0283174000000000, 0.0132135100000000, -0.0029703500000000 ] - [ -0.0012871500000000, 0.0030224800000000, 0.0039508600000000 ] - [ -0.0003827100000000, -0.0000400900000000, -0.0005356500000000 ] - [ 0.0001377500000000, 0.0005571600000000, -0.0002141300000000 ] - [ -0.0007160500000000, 0.0002182800000000, -0.0000443600000000 ] - [ -0.0024453200000000, 0.0009619400000000, 0.0007184400000000 ] - [ -0.0020559300000000, -0.0010916300000000, -0.0023685100000000 ] - [ -0.0000605000000000, -0.0011452900000000, 0.0003967400000000 ] - [ -0.0004490000000000, -0.0000664900000000, 0.0000855200000000 ] - [ -0.0001814000000000, 0.0001326500000000, 0.0008943300000000 ] - [ -0.0007021900000000, -0.0000038400000000, 0.0003915900000000 ] - [ -0.0002026900000000, -0.0006334400000000, -0.0002787200000000 ] - [ 0.0165541600000000, -0.0070878500000000, -0.0023764000000000 ] - [ -0.0029683700000000, -0.0007889200000000, -0.0001691700000000 ] - [ -0.0140489900000000, -0.0086983400000000, -0.0072687900000000 ] - [ 0.0084333800000000, -0.0080803600000000, -0.0029905200000000 ] - [ -0.0005509300000000, -0.0003033200000000, 0.0003027900000000 ] - [ 0.0008179400000000, 0.0008223900000000, 0.0000635700000000 ] - [ -0.0007590000000000, 0.0002741800000000, -0.0001401400000000 ]- atom: 41 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ 0.0003860300000000, 0.0024339300000000, 0.0012412900000000 ] - [ -0.0003292400000000, -0.0001776800000000, -0.0000962200000000 ] - [ -0.0006458000000000, -0.0010417200000000, 0.0042275300000000 ] - [ -0.0003318300000000, -0.0002156000000000, -0.0000287600000000 ] - [ 0.0002402900000000, -0.0017590500000000, 0.0012238900000000 ] - [ -0.0004691700000000, 0.0001105600000000, -0.0005243400000000 ] - [ -0.0009174900000000, -0.0018880200000000, -0.0011159900000000 ] - [ -0.0021882800000000, 0.0004604300000000, -0.0008096900000000 ] - [ 0.0003330300000000, 0.0012242300000000, -0.0010726200000000 ] - [ -0.0000881900000000, -0.0000900000000000, -0.0003513500000000 ] - [ 0.0008547200000000, -0.0003599600000000, 0.0029162900000000 ] - [ -0.0000586700000000, -0.0000035000000000, 0.0002689000000000 ] - [ -0.0005934400000000, 0.0001101100000000, 0.0000619900000000 ] - [ 0.0020514900000000, 0.0001559600000000, -0.0002707200000000 ] - [ -0.0001924800000000, 0.0005067800000000, 0.0003443500000000 ] - [ -0.0000835400000000, -0.0000042400000000, -0.0000115100000000 ] - [ -0.0001375900000000, -0.0001523900000000, 0.0002796600000000 ] - [ 0.0002467700000000, -0.0002379600000000, -0.0001788600000000 ] - [ -0.0000507200000000, 0.0001257500000000, -0.0004339300000000 ] - [ 0.0006570000000000, 0.0004804700000000, 0.0000060500000000 ] - [ -0.0047495800000000, 0.0048298800000000, -0.0002571100000000 ] - [ -0.0060763000000000, -0.0027088300000000, 0.0012995600000000 ] - [ 0.0371295800000000, -0.0304026900000000, -0.0344603500000000 ] - [ -0.0025388300000000, -0.0000859700000000, -0.0001157800000000 ] - [ 0.0008713000000000, -0.0000168600000000, -0.0012238400000000 ] - [ -0.0006166700000000, 0.0000258900000000, -0.0002972900000000 ] - [ 0.0002598900000000, 0.0002286800000000, -0.0001885500000000 ] - [ 0.0000035100000000, 0.0008632800000000, -0.0006075800000000 ] - [ -0.0101420300000000, -0.0002061800000000, 0.0109789900000000 ] - [ -0.0019639800000000, 0.0001768600000000, -0.0015278700000000 ] - [ 0.0020368800000000, 0.0005121400000000, -0.0013381700000000 ] - [ -0.0011843200000000, -0.0003103000000000, 0.0013610900000000 ] - [ -0.0031502100000000, -0.0012844100000000, 0.0000741600000000 ] - [ 0.0597843800000000, -0.0139695300000000, -0.0369076000000000 ] - [ 0.0009624700000000, 0.0015532600000000, -0.0002263700000000 ] - [ -0.0004614000000000, 0.0010402200000000, -0.0003557200000000 ] - [ 0.0014050800000000, 0.0003672300000000, 0.0002936500000000 ] - [ -0.0009255100000000, 0.0010167700000000, 0.0002142500000000 ] - [ -0.0002249000000000, -0.0003448900000000, 0.0012389400000000 ] - [ -0.0004076700000000, -0.0003987000000000, -0.0006207600000000 ] - [ -0.1445743100000000, 0.0732895900000000, 0.0652392300000000 ] - [ 0.0025805500000000, -0.0007526200000000, 0.0002955700000000 ] - [ -0.0005047700000000, 0.0001037300000000, 0.0004947700000000 ] - [ 0.0005384400000000, -0.0007143700000000, 0.0002212000000000 ] - [ -0.0004228800000000, 0.0004184700000000, 0.0005028000000000 ] - [ -0.0000520800000000, 0.0000162200000000, -0.0010694200000000 ] - [ -0.0003304300000000, -0.0022312700000000, 0.0017942500000000 ] - [ 0.0012447400000000, 0.0007257100000000, -0.0015322600000000 ] - [ 0.0135494500000000, -0.0269319800000000, -0.0200055800000000 ] - [ 0.0011046800000000, 0.0003201700000000, 0.0001068500000000 ] - [ -0.0002064300000000, -0.0001759100000000, -0.0003501400000000 ] - [ 0.0002418300000000, -0.0003711700000000, 0.0005381700000000 ] - [ -0.0006728300000000, 0.0000234800000000, -0.0000692300000000 ] - [ 0.0008656600000000, -0.0005588300000000, -0.0008657500000000 ] - [ -0.0002753000000000, 0.0002674700000000, 0.0003013100000000 ] - [ 0.0003875200000000, 0.0004096800000000, 0.0001489600000000 ] - [ -0.0000870800000000, -0.0003373800000000, -0.0003334900000000 ] - [ 0.0002114300000000, -0.0002110500000000, 0.0003563500000000 ] - [ -0.0005060100000000, -0.0007995400000000, -0.0000375500000000 ] - [ -0.0013556100000000, -0.0009413100000000, -0.0001137800000000 ] - [ -0.0001075700000000, -0.0001104400000000, 0.0001644400000000 ] - [ 0.0000933100000000, -0.0003795700000000, 0.0000480600000000 ] - [ 0.0000525700000000, -0.0001045700000000, -0.0003140300000000 ] - [ 0.0001190000000000, 0.0002821400000000, -0.0006547100000000 ] - [ 0.0001008200000000, 0.0001014500000000, -0.0014649400000000 ] - [ -0.0000867000000000, 0.0002653600000000, 0.0004117300000000 ] - [ -0.0005930600000000, -0.0005211600000000, 0.0006893800000000 ] - [ 0.0004250300000000, -0.0001432200000000, 0.0005180300000000 ] - [ 0.0015778000000000, 0.0021653500000000, -0.0047910400000000 ] - [ 0.0003605600000000, -0.0000742300000000, 0.0001882900000000 ] - [ 0.0245201900000000, -0.0119688200000000, 0.0031081600000000 ] - [ 0.0025417900000000, 0.0012122200000000, 0.0003150400000000 ] - [ 0.0007075600000000, 0.0006940600000000, -0.0001052100000000 ] - [ 0.0285600400000000, -0.0132462500000000, 0.0021513300000000 ] - [ 0.0015949600000000, -0.0025575100000000, -0.0038352200000000 ] - [ 0.0006969800000000, 0.0004720000000000, 0.0006214300000000 ] - [ -0.0006052700000000, -0.0008215200000000, 0.0002867000000000 ] - [ 0.0002395300000000, -0.0004810700000000, 0.0001152800000000 ] - [ 0.0027545300000000, -0.0008614400000000, -0.0011707600000000 ] - [ 0.0023772400000000, 0.0011869200000000, 0.0019234400000000 ] - [ -0.0002408700000000, 0.0010014800000000, 0.0000648300000000 ] - [ 0.0001343200000000, -0.0000716600000000, 0.0003824200000000 ] - [ -0.0007247300000000, -0.0004584400000000, 0.0002352200000000 ] - [ -0.0002071400000000, -0.0003218700000000, 0.0007330700000000 ] - [ 0.0011026900000000, 0.0003101600000000, -0.0008545000000000 ] - [ -0.0157127000000000, 0.0067519000000000, 0.0011994300000000 ] - [ 0.0034278800000000, 0.0005241900000000, 0.0000950500000000 ] - [ 0.0144594300000000, 0.0084623600000000, 0.0072899500000000 ] - [ -0.0080950800000000, 0.0075589600000000, 0.0032268200000000 ] - [ 0.0008090000000000, -0.0000807800000000, -0.0001640200000000 ] - [ -0.0011455400000000, -0.0007256400000000, 0.0003760000000000 ] - [ 0.0004322600000000, -0.0001733400000000, 0.0005784700000000 ]- atom: 43 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ -0.0032280200000000, -0.0003450200000000, 0.0007673300000000 ] - [ 0.0074777500000000, -0.0020446900000000, 0.0013944000000000 ] - [ -0.0005863400000000, -0.0003233500000000, 0.0002050400000000 ] - [ 0.0009497000000000, -0.0001445800000000, 0.0001680200000000 ] - [ -0.0001197000000000, 0.0002500900000000, -0.0000672500000000 ] - [ 0.0000351200000000, -0.0006915200000000, -0.0003886200000000 ] - [ 0.0035679900000000, 0.0002730800000000, 0.0000703900000000 ] - [ -0.0009090600000000, 0.0002413900000000, 0.0000630500000000 ] - [ 0.0014954800000000, 0.0011871900000000, -0.0002244400000000 ] - [ -0.0006304000000000, -0.0003034800000000, -0.0004150100000000 ] - [ -0.0000049000000000, -0.0011404700000000, 0.0007271500000000 ] - [ -0.0005367000000000, 0.0001334200000000, -0.0003940700000000 ] - [ 0.0003634100000000, -0.0004452100000000, 0.0004638600000000 ] - [ -0.0001432800000000, 0.0001891200000000, -0.0003788600000000 ] - [ -0.0005038800000000, 0.0016324800000000, 0.0011082200000000 ] - [ -0.0010098400000000, -0.0004853400000000, -0.0007233300000000 ] - [ 0.0004451500000000, -0.0002743600000000, 0.0035260200000000 ] - [ -0.0010992900000000, -0.0002423100000000, -0.0007362700000000 ] - [ 0.0021617700000000, -0.0004551700000000, -0.0013780500000000 ] - [ -0.0004652400000000, 0.0002322900000000, -0.0008929600000000 ] - [ 0.0013750900000000, -0.0003520700000000, 0.0003148100000000 ] - [ -0.0011677100000000, -0.0003912000000000, -0.0004153200000000 ] - [ 0.0009451900000000, -0.0006935600000000, -0.0000963300000000 ] - [ -0.0010414600000000, 0.0003002000000000, -0.0002292600000000 ] - [ -0.0056208900000000, 0.0016616300000000, -0.0122642900000000 ] - [ -0.0044488500000000, 0.0012654300000000, -0.0000886700000000 ] - [ 0.0555219600000000, -0.0095149600000000, 0.0224913800000000 ] - [ -0.0026026900000000, -0.0009785200000000, -0.0007880200000000 ] - [ 0.0007357800000000, -0.0000139000000000, 0.0009052200000000 ] - [ -0.0012734500000000, -0.0006986500000000, -0.0006461200000000 ] - [ 0.0013601200000000, -0.0002994800000000, -0.0003512600000000 ] - [ -0.0012912600000000, -0.0003191400000000, -0.0004486000000000 ] - [ -0.0012338900000000, 0.0024937000000000, 0.0034606500000000 ] - [ -0.0010507300000000, -0.0010159800000000, -0.0011502900000000 ] - [ -0.0044305800000000, 0.0041757400000000, -0.0004240500000000 ] - [ -0.0067069700000000, -0.0049418300000000, 0.0029288600000000 ] - [ 0.1508148500000000, 0.0316337600000000, -0.0766051000000000 ] - [ -0.0028643400000000, -0.0001690400000000, -0.0016948800000000 ] - [ 0.0066193200000000, -0.0002661500000000, 0.0007930000000000 ] - [ -0.0013635600000000, 0.0019579500000000, -0.0027308900000000 ] - [ 0.0007854800000000, 0.0004076800000000, 0.0005589400000000 ] - [ 0.0015635600000000, -0.0011013800000000, -0.0002261500000000 ] - [ -0.2530479600000000, -0.0273457100000000, 0.0796889000000000 ] - [ 0.0015136700000000, 0.0003459600000000, 0.0004987900000000 ] - [ -0.0004887900000000, 0.0000256600000000, -0.0002201100000000 ] - [ 0.0003534300000000, 0.0000274400000000, 0.0001261600000000 ] - [ -0.0007890100000000, 0.0002642600000000, 0.0000738800000000 ] - [ 0.0007602100000000, -0.0001161700000000, -0.0002600300000000 ] - [ -0.0002373400000000, 0.0002699300000000, -0.0001816900000000 ] - [ 0.0004865900000000, 0.0004162200000000, -0.0000967000000000 ] - [ -0.0108862300000000, -0.0022221400000000, -0.0085274200000000 ] - [ 0.0015633800000000, -0.0000984300000000, 0.0014858700000000 ] - [ -0.0057134800000000, 0.0025223700000000, -0.0040145900000000 ] - [ 0.0008523500000000, -0.0001625100000000, 0.0005786800000000 ] - [ 0.0138199800000000, -0.0160976700000000, 0.0248021500000000 ] - [ 0.0026410300000000, 0.0007862900000000, 0.0002425300000000 ] - [ -0.0008326700000000, 0.0003224200000000, -0.0007065600000000 ] - [ 0.0011337400000000, -0.0009472800000000, 0.0036633600000000 ] - [ -0.0008870800000000, 0.0145882200000000, -0.0150833100000000 ] - [ 0.0021533700000000, 0.0000190600000000, 0.0001504100000000 ] - [ 0.0017623900000000, 0.0002479300000000, -0.0157650500000000 ] - [ 0.0009712900000000, 0.0002697100000000, 0.0010698000000000 ] - [ -0.0005923000000000, -0.0003084800000000, -0.0003907300000000 ] - [ 0.0006827200000000, 0.0001683400000000, 0.0000852500000000 ] - [ -0.0008352900000000, -0.0000736400000000, -0.0010596200000000 ] - [ 0.0003188600000000, -0.0008253800000000, 0.0011156600000000 ] - [ 0.0011666900000000, -0.0012787600000000, 0.0010345800000000 ] - [ 0.0015928800000000, 0.0016037600000000, -0.0016552000000000 ] - [ -0.0000864700000000, 0.0003074600000000, -0.0006128500000000 ] - [ 0.0002236300000000, 0.0002327400000000, -0.0001636900000000 ] - [ -0.0011267300000000, 0.0008951700000000, -0.0000176200000000 ] - [ 0.0008476800000000, 0.0005331000000000, 0.0001855700000000 ] - [ 0.0008080700000000, -0.0036479700000000, -0.0017625500000000 ] - [ 0.0007322600000000, 0.0011013100000000, 0.0001951400000000 ] - [ -0.0001196500000000, -0.0002504700000000, -0.0001648000000000 ] - [ 0.0004014800000000, 0.0008195200000000, 0.0003809900000000 ] - [ 0.0043372600000000, -0.0036801300000000, 0.0017094100000000 ] - [ 0.0052777900000000, 0.0012411600000000, -0.0028287900000000 ] - [ -0.0007788400000000, 0.0002370400000000, -0.0009259100000000 ] - [ 0.0008954600000000, 0.0001581000000000, 0.0003742300000000 ] - [ -0.0021666800000000, 0.0014459600000000, 0.0042824400000000 ] - [ 0.0003413600000000, -0.0008847700000000, -0.0000028500000000 ] - [ 0.0005351200000000, -0.0012162600000000, 0.0005180300000000 ] - [ 0.0012814700000000, 0.0022487200000000, 0.0004597200000000 ] - [ 0.0003738700000000, -0.0001659900000000, -0.0023184100000000 ] - [ 0.0009519100000000, 0.0000738300000000, 0.0000574200000000 ] - [ -0.0004005100000000, -0.0010353000000000, -0.0006574500000000 ] - [ 0.0009947500000000, 0.0005791600000000, 0.0001588400000000 ] - [ -0.0005371900000000, -0.0000777700000000, -0.0002432000000000 ] - [ 0.0008100300000000, -0.0001645900000000, 0.0004643600000000 ] - [ 0.0345802100000000, 0.0087101700000000, -0.0034624900000000 ] - [ 0.0024766000000000, -0.0002453700000000, 0.0015311500000000 ]- atom: 43 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ 0.0029164700000000, 0.0002913800000000, -0.0006317600000000 ] - [ -0.0083531800000000, 0.0022785500000000, -0.0015173400000000 ] - [ 0.0002712500000000, 0.0002473800000000, 0.0004238700000000 ] - [ -0.0012634500000000, 0.0000613600000000, 0.0004590100000000 ] - [ 0.0001300100000000, -0.0003182800000000, -0.0002309300000000 ] - [ -0.0000258400000000, 0.0006220100000000, 0.0000886400000000 ] - [ -0.0039299200000000, -0.0002021200000000, 0.0005729800000000 ] - [ 0.0005269000000000, -0.0001967800000000, 0.0005928600000000 ] - [ -0.0011040900000000, -0.0011568400000000, -0.0004281400000000 ] - [ 0.0010101200000000, 0.0003496000000000, -0.0002407800000000 ] - [ 0.0000004000000000, 0.0010018100000000, -0.0008645200000000 ] - [ 0.0005348100000000, -0.0002696000000000, 0.0002465400000000 ] - [ -0.0000715200000000, 0.0003868800000000, -0.0005857500000000 ] - [ 0.0004363000000000, -0.0002454000000000, 0.0002547800000000 ] - [ 0.0005038000000000, -0.0017643100000000, -0.0009500800000000 ] - [ 0.0010127000000000, 0.0003547100000000, 0.0008714500000000 ] - [ -0.0004701000000000, 0.0002069200000000, -0.0032186300000000 ] - [ 0.0010934000000000, 0.0001739400000000, 0.0010310100000000 ] - [ -0.0018480900000000, 0.0003850200000000, 0.0007449400000000 ] - [ 0.0007853000000000, -0.0003092800000000, 0.0002679900000000 ] - [ -0.0014593500000000, -0.0000844500000000, -0.0004058900000000 ] - [ 0.0010805000000000, -0.0000426200000000, 0.0003238000000000 ] - [ -0.0012955400000000, 0.0006907800000000, -0.0000876900000000 ] - [ 0.0006820300000000, -0.0002967100000000, 0.0000464200000000 ] - [ 0.0058088500000000, -0.0019502100000000, 0.0121901200000000 ] - [ 0.0045276200000000, -0.0016922800000000, 0.0001832600000000 ] - [ -0.0557952700000000, 0.0095832600000000, -0.0221881200000000 ] - [ 0.0029584800000000, 0.0009879000000000, 0.0009712300000000 ] - [ -0.0015459700000000, -0.0003280200000000, -0.0008468600000000 ] - [ 0.0004568800000000, 0.0003605700000000, 0.0007032500000000 ] - [ -0.0016383200000000, -0.0000480900000000, 0.0002540100000000 ] - [ 0.0010075800000000, -0.0000202500000000, 0.0003548200000000 ] - [ 0.0009022000000000, -0.0015076700000000, -0.0032741600000000 ] - [ 0.0007185700000000, 0.0019915700000000, 0.0013275900000000 ] - [ 0.0047637700000000, -0.0031655900000000, 0.0002366300000000 ] - [ 0.0069061600000000, 0.0059367600000000, -0.0031677800000000 ] - [ -0.1452815400000000, -0.0294816700000000, 0.0708989100000000 ] - [ 0.0036800800000000, -0.0001661000000000, 0.0016423600000000 ] - [ -0.0061956000000000, -0.0000295400000000, -0.0006143000000000 ] - [ 0.0016499400000000, -0.0022980400000000, 0.0028339100000000 ] - [ 0.0007457100000000, -0.0014382000000000, -0.0001798600000000 ] - [ -0.0000289800000000, 0.0000637200000000, 0.0006021900000000 ] - [ 0.2478376300000000, 0.0248103700000000, -0.0730736000000000 ] - [ -0.0018664800000000, 0.0001497000000000, -0.0001220300000000 ] - [ 0.0004477600000000, -0.0003266700000000, -0.0000503700000000 ] - [ -0.0003938100000000, -0.0003348000000000, -0.0003986300000000 ] - [ 0.0010977500000000, -0.0003996900000000, -0.0005360900000000 ] - [ -0.0004481500000000, -0.0000232400000000, -0.0002049300000000 ] - [ 0.0005895200000000, 0.0002306100000000, -0.0001955200000000 ] - [ -0.0001321100000000, 0.0000823800000000, -0.0002827900000000 ] - [ 0.0105885400000000, 0.0017859700000000, 0.0080591900000000 ] - [ -0.0018254600000000, -0.0002868500000000, -0.0016293800000000 ] - [ 0.0054223500000000, -0.0019083400000000, 0.0038356800000000 ] - [ -0.0011717100000000, 0.0005984800000000, -0.0006678100000000 ] - [ -0.0137545000000000, 0.0169992700000000, -0.0246280500000000 ] - [ -0.0026209600000000, 0.0003857500000000, -0.0003481800000000 ] - [ 0.0008507600000000, -0.0006232300000000, 0.0009495200000000 ] - [ -0.0011004300000000, 0.0006376300000000, -0.0034035100000000 ] - [ -0.0004666500000000, -0.0156273000000000, 0.0146869000000000 ] - [ -0.0036866100000000, -0.0010612900000000, -0.0005272800000000 ] - [ -0.0018666000000000, -0.0000201100000000, 0.0162282100000000 ] - [ -0.0011013800000000, 0.0000487900000000, -0.0003678700000000 ] - [ 0.0007970900000000, 0.0004171100000000, -0.0000492400000000 ] - [ -0.0004764700000000, -0.0000636000000000, -0.0005261200000000 ] - [ 0.0006154100000000, 0.0001561500000000, 0.0014734700000000 ] - [ -0.0005272100000000, 0.0009313700000000, -0.0006785000000000 ] - [ -0.0009439800000000, 0.0014973700000000, -0.0002613500000000 ] - [ -0.0013361500000000, -0.0013713000000000, 0.0024229000000000 ] - [ 0.0002150900000000, 0.0000152800000000, -0.0000941100000000 ] - [ -0.0000951400000000, 0.0000883800000000, -0.0005402700000000 ] - [ 0.0011047000000000, 0.0002816800000000, 0.0001226300000000 ] - [ -0.0008638700000000, 0.0006440300000000, -0.0000811800000000 ] - [ -0.0010346900000000, 0.0038801400000000, 0.0009927200000000 ] - [ -0.0009537000000000, -0.0008677400000000, -0.0009645700000000 ] - [ 0.0004372500000000, 0.0006902400000000, 0.0002508500000000 ] - [ -0.0000813600000000, -0.0003829400000000, -0.0002938300000000 ] - [ -0.0048055100000000, 0.0033841500000000, -0.0016146000000000 ] - [ -0.0057782600000000, -0.0015380000000000, 0.0029375300000000 ] - [ 0.0011039700000000, -0.0001348600000000, 0.0004839000000000 ] - [ -0.0005651800000000, -0.0000602900000000, -0.0008142600000000 ] - [ 0.0018157200000000, -0.0015994800000000, -0.0037904200000000 ] - [ -0.0006510300000000, 0.0007426100000000, 0.0004610600000000 ] - [ -0.0014432200000000, 0.0008881300000000, 0.0006087800000000 ] - [ -0.0021787400000000, -0.0025823000000000, 0.0006899900000000 ] - [ 0.0005360600000000, -0.0001569200000000, 0.0011875500000000 ] - [ -0.0000453000000000, -0.0003956900000000, -0.0011813700000000 ] - [ 0.0008750000000000, 0.0007771400000000, 0.0005861200000000 ] - [ -0.0005182700000000, -0.0008367800000000, -0.0002292100000000 ] - [ 0.0007970500000000, -0.0003021700000000, 0.0003814100000000 ] - [ -0.0005478400000000, -0.0002180200000000, -0.0003250100000000 ] - [ -0.0338501300000000, -0.0083052300000000, 0.0039218000000000 ] - [ -0.0028038100000000, 0.0003420700000000, -0.0010900700000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012975800000000, 0.0003865200000000, 0.0001720100000000 ] - [ -0.0025164300000000, 0.0041518100000000, -0.0016429900000000 ] - [ -0.0003474000000000, -0.0001535800000000, 0.0003153100000000 ] - [ 0.0015493800000000, -0.0021822200000000, 0.0011897000000000 ] - [ 0.0000403500000000, -0.0004008500000000, -0.0000968100000000 ] - [ -0.0000377800000000, -0.0012183200000000, -0.0003057700000000 ] - [ -0.0013128400000000, -0.0024483200000000, -0.0031062900000000 ] - [ -0.0001017900000000, 0.0002015300000000, 0.0004380400000000 ] - [ 0.0012450700000000, -0.0020920800000000, -0.0001160900000000 ] - [ -0.0004655100000000, -0.0003348400000000, -0.0003597700000000 ] - [ -0.0018645300000000, -0.0021238000000000, 0.0004952600000000 ] - [ 0.0002972500000000, -0.0002230100000000, 0.0000432200000000 ] - [ 0.0001029600000000, -0.0012822100000000, 0.0001266400000000 ] - [ 0.0002036400000000, -0.0003535400000000, -0.0000757600000000 ] - [ 0.0004453700000000, -0.0000260000000000, 0.0008748800000000 ] - [ -0.0004003200000000, 0.0000680800000000, -0.0004892600000000 ] - [ -0.0003540800000000, 0.0025602900000000, 0.0021475500000000 ] - [ 0.0001109900000000, 0.0002766400000000, 0.0001338800000000 ] - [ -0.0001767800000000, -0.0007534800000000, -0.0021283000000000 ] - [ 0.0003659700000000, -0.0000519300000000, 0.0000578200000000 ] - [ -0.0006618500000000, -0.0026437300000000, -0.0001569100000000 ] - [ -0.0001544900000000, -0.0008420300000000, -0.0000508600000000 ] - [ -0.0007355100000000, -0.0015270100000000, -0.0003884800000000 ] - [ 0.0006339100000000, -0.0016585000000000, -0.0000840300000000 ] - [ 0.0060565500000000, 0.0136872300000000, -0.0083521300000000 ] - [ -0.0023677800000000, 0.0019939200000000, 0.0002688800000000 ] - [ -0.0065269100000000, 0.0448184300000000, -0.0133484100000000 ] - [ -0.0001923400000000, 0.0008077100000000, 0.0001810400000000 ] - [ -0.0002290100000000, -0.0021047500000000, 0.0000618300000000 ] - [ -0.0005220200000000, -0.0019775000000000, -0.0001151200000000 ] - [ -0.0001162900000000, -0.0037192200000000, -0.0005738500000000 ] - [ -0.0002199300000000, -0.0010553800000000, 0.0002036000000000 ] - [ 0.0021872800000000, -0.0036229300000000, -0.0013427000000000 ] - [ -0.0010965800000000, -0.0000636900000000, -0.0004935300000000 ] - [ 0.0015203400000000, 0.0013320400000000, -0.0002923500000000 ] - [ -0.0155362100000000, 0.0005750700000000, -0.0021295600000000 ] - [ 0.0251171500000000, 0.0656775100000000, -0.0317918600000000 ] - [ 0.0003329300000000, 0.0006388800000000, -0.0000722100000000 ] - [ -0.0005754600000000, 0.0036111300000000, 0.0018653300000000 ] - [ 0.0006648300000000, 0.0024249400000000, 0.0012863200000000 ] - [ 0.0013290800000000, 0.0001199800000000, 0.0006094500000000 ] - [ -0.0013240200000000, 0.0009621600000000, 0.0002754500000000 ] - [ -0.0266273000000000, -0.1278440700000000, 0.1072304200000000 ] - [ -0.0000821500000000, -0.0001304600000000, 0.0003500300000000 ] - [ 0.0001275700000000, 0.0021591300000000, 0.0003838400000000 ] - [ -0.0000163700000000, 0.0002341000000000, -0.0000885800000000 ] - [ 0.0000107500000000, 0.0015445500000000, -0.0002402500000000 ] - [ 0.0001900000000000, 0.0002870900000000, -0.0004075400000000 ] - [ 0.0001583200000000, 0.0010159600000000, 0.0002851600000000 ] - [ 0.0000087400000000, 0.0011221700000000, 0.0001105300000000 ] - [ -0.0005124700000000, -0.0091655100000000, 0.0045757600000000 ] - [ -0.0001915600000000, -0.0009932100000000, -0.0005508000000000 ] - [ 0.0183809400000000, 0.0134672100000000, -0.0258611700000000 ] - [ -0.0000926200000000, -0.0002292700000000, 0.0000626400000000 ] - [ -0.0265946600000000, 0.0025461000000000, -0.0192177300000000 ] - [ 0.0008667500000000, -0.0001218500000000, -0.0001212200000000 ] - [ 0.0003664200000000, -0.0017352900000000, -0.0004543200000000 ] - [ 0.0000884100000000, -0.0018935700000000, 0.0005379100000000 ] - [ 0.0141844400000000, 0.0192669200000000, -0.0231972400000000 ] - [ -0.0010245400000000, -0.0008998500000000, -0.0002288500000000 ] - [ -0.0058320000000000, -0.0115438300000000, 0.0108308600000000 ] - [ -0.0000170600000000, -0.0002524300000000, 0.0002633500000000 ] - [ 0.0000330600000000, 0.0019792200000000, -0.0003444700000000 ] - [ 0.0002909800000000, 0.0005562100000000, -0.0003206500000000 ] - [ 0.0008919100000000, -0.0014941500000000, -0.0008380900000000 ] - [ -0.0008352000000000, -0.0010663600000000, -0.0007906900000000 ] - [ -0.0007765900000000, 0.0002008300000000, 0.0004540200000000 ] - [ 0.0037562100000000, 0.0016010000000000, -0.0005746400000000 ] - [ 0.0003291900000000, 0.0010500100000000, -0.0005997300000000 ] - [ -0.0000718600000000, 0.0010782200000000, -0.0006589000000000 ] - [ 0.0002252900000000, 0.0022781000000000, 0.0003369300000000 ] - [ -0.0003171100000000, 0.0010633800000000, 0.0000219700000000 ] - [ -0.0029104400000000, 0.0036460200000000, 0.0009689300000000 ] - [ 0.0002688800000000, 0.0003380900000000, -0.0001563900000000 ] - [ 0.0000730100000000, 0.0013407700000000, -0.0000930300000000 ] - [ 0.0005068100000000, 0.0013195600000000, 0.0003720100000000 ] - [ -0.0009350600000000, -0.0024305300000000, 0.0016480800000000 ] - [ 0.0037735300000000, -0.0034383100000000, -0.0001819400000000 ] - [ 0.0001149500000000, 0.0013565900000000, 0.0000382600000000 ] - [ 0.0001949300000000, 0.0005100200000000, -0.0000790700000000 ] - [ -0.0007927800000000, -0.0032012200000000, 0.0003369600000000 ] - [ 0.0000175400000000, -0.0013946600000000, -0.0007569000000000 ] - [ -0.0008430500000000, -0.0002560600000000, 0.0006436200000000 ] - [ 0.0025577600000000, 0.0011804200000000, 0.0018365900000000 ] - [ 0.0001548400000000, 0.0010969000000000, -0.0014405800000000 ] - [ 0.0005479200000000, -0.0001651000000000, -0.0003316300000000 ] - [ 0.0009344400000000, 0.0024033300000000, 0.0000905500000000 ] - [ 0.0005963200000000, 0.0004309600000000, 0.0000235000000000 ] - [ 0.0001605400000000, 0.0008876500000000, -0.0001757100000000 ] - [ 0.0001068500000000, 0.0006010700000000, -0.0002317800000000 ] - [ 0.0154608700000000, -0.0090115200000000, 0.0027015900000000 ] - [ 0.0000250500000000, -0.0007292300000000, 0.0006052400000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010176300000000, -0.0004407800000000, -0.0000492900000000 ] - [ 0.0021476000000000, -0.0042234500000000, 0.0017445200000000 ] - [ 0.0000313900000000, 0.0000796800000000, 0.0003114200000000 ] - [ -0.0018615000000000, 0.0021013000000000, -0.0005605000000000 ] - [ -0.0000314800000000, 0.0003304400000000, -0.0002023800000000 ] - [ 0.0000494900000000, 0.0011530400000000, 0.0000085900000000 ] - [ 0.0009530100000000, 0.0025813000000000, 0.0037817900000000 ] - [ -0.0002773100000000, -0.0001553600000000, 0.0002180300000000 ] - [ -0.0008707700000000, 0.0021346700000000, -0.0005441500000000 ] - [ 0.0008504300000000, 0.0003796000000000, -0.0002957100000000 ] - [ 0.0018558100000000, 0.0019914400000000, -0.0006417300000000 ] - [ -0.0002967000000000, 0.0000896700000000, -0.0001838900000000 ] - [ 0.0001898300000000, 0.0012271500000000, -0.0002511200000000 ] - [ 0.0000892000000000, 0.0002965200000000, -0.0000468100000000 ] - [ -0.0004363600000000, -0.0001283000000000, -0.0007305600000000 ] - [ 0.0004052400000000, -0.0002040800000000, 0.0006393100000000 ] - [ 0.0003360200000000, -0.0026133000000000, -0.0018605800000000 ] - [ -0.0001167100000000, -0.0003458000000000, 0.0001660500000000 ] - [ 0.0004838700000000, 0.0006655100000000, 0.0015178000000000 ] - [ -0.0000455600000000, -0.0000275500000000, -0.0006835900000000 ] - [ 0.0005753400000000, 0.0022101900000000, 0.0000621800000000 ] - [ 0.0000734100000000, 0.0004104700000000, -0.0000385800000000 ] - [ 0.0003683200000000, 0.0015332500000000, 0.0002039400000000 ] - [ -0.0009863200000000, 0.0016608700000000, -0.0000972700000000 ] - [ -0.0059604200000000, -0.0141553200000000, 0.0085092400000000 ] - [ 0.0024632300000000, -0.0024301600000000, -0.0001782200000000 ] - [ 0.0070659600000000, -0.0452973100000000, 0.0153597300000000 ] - [ 0.0005572100000000, -0.0008028100000000, 0.0000021800000000 ] - [ -0.0005918100000000, 0.0017638600000000, -0.0000112800000000 ] - [ -0.0002874800000000, 0.0016418400000000, 0.0001749500000000 ] - [ -0.0001730500000000, 0.0033803900000000, 0.0004807000000000 ] - [ -0.0000570500000000, 0.0007169000000000, -0.0002944200000000 ] - [ -0.0025059500000000, 0.0046039200000000, 0.0015163400000000 ] - [ 0.0007625400000000, 0.0010616300000000, 0.0006845400000000 ] - [ -0.0011824600000000, -0.0003522100000000, 0.0001078300000000 ] - [ 0.0159099100000000, 0.0004144200000000, 0.0019425800000000 ] - [ -0.0240739100000000, -0.0661520700000000, 0.0313993900000000 ] - [ 0.0004896200000000, -0.0009742000000000, 0.0000184300000000 ] - [ 0.0008996300000000, -0.0039239800000000, -0.0017744700000000 ] - [ -0.0003782200000000, -0.0027495800000000, -0.0011947500000000 ] - [ 0.0002106600000000, -0.0011633100000000, -0.0002333500000000 ] - [ 0.0028475800000000, -0.0019962900000000, 0.0001020400000000 ] - [ 0.0257152200000000, 0.1288608300000000, -0.1084216100000000 ] - [ -0.0002768400000000, 0.0006270300000000, 0.0000280200000000 ] - [ -0.0001671500000000, -0.0024651600000000, -0.0006561300000000 ] - [ -0.0000258600000000, -0.0005456000000000, -0.0001861700000000 ] - [ 0.0003030700000000, -0.0016867300000000, -0.0002247600000000 ] - [ 0.0001191500000000, -0.0004275200000000, -0.0000562600000000 ] - [ 0.0001990700000000, -0.0005177700000000, -0.0006626700000000 ] - [ 0.0003417900000000, -0.0006255300000000, -0.0004906200000000 ] - [ 0.0002401800000000, 0.0087602800000000, -0.0048729200000000 ] - [ -0.0000711200000000, 0.0006063200000000, 0.0004107400000000 ] - [ -0.0184145200000000, -0.0126645100000000, 0.0252634500000000 ] - [ -0.0002292000000000, 0.0006667000000000, -0.0001517500000000 ] - [ 0.0268242000000000, -0.0012758300000000, 0.0192699200000000 ] - [ -0.0008559500000000, 0.0012984400000000, 0.0000169100000000 ] - [ -0.0003418700000000, 0.0014289300000000, 0.0007238900000000 ] - [ -0.0000400000000000, 0.0015814200000000, -0.0002584200000000 ] - [ -0.0159101600000000, -0.0205916300000000, 0.0232423400000000 ] - [ -0.0005158300000000, -0.0001385800000000, -0.0001487700000000 ] - [ 0.0055777200000000, 0.0118696600000000, -0.0100320700000000 ] - [ -0.0001140400000000, 0.0005716000000000, 0.0004379700000000 ] - [ 0.0001780900000000, -0.0018715200000000, -0.0000987400000000 ] - [ -0.0000874600000000, -0.0004511100000000, -0.0001213600000000 ] - [ -0.0010994500000000, 0.0015848500000000, 0.0012794500000000 ] - [ 0.0006263800000000, 0.0011672500000000, 0.0012289800000000 ] - [ 0.0010027900000000, 0.0000273300000000, 0.0003149300000000 ] - [ -0.0035446400000000, -0.0013849000000000, 0.0013585600000000 ] - [ -0.0001986000000000, -0.0007303200000000, -0.0001037000000000 ] - [ 0.0001982700000000, -0.0007597600000000, -0.0000463800000000 ] - [ -0.0002388900000000, -0.0010997400000000, -0.0002309700000000 ] - [ 0.0002949100000000, 0.0001120000000000, 0.0000818200000000 ] - [ 0.0026569300000000, -0.0033917500000000, -0.0017347200000000 ] - [ -0.0004971900000000, -0.0001206600000000, -0.0006197200000000 ] - [ 0.0002474000000000, -0.0008985700000000, 0.0001829200000000 ] - [ -0.0001897300000000, -0.0008835200000000, -0.0002866100000000 ] - [ 0.0004612000000000, 0.0021821000000000, -0.0015844400000000 ] - [ -0.0042632500000000, 0.0031882700000000, 0.0002592900000000 ] - [ 0.0002162000000000, -0.0012579800000000, -0.0004743000000000 ] - [ 0.0001306000000000, -0.0004137700000000, -0.0003647600000000 ] - [ 0.0004803200000000, 0.0030660500000000, 0.0001206700000000 ] - [ -0.0003328200000000, 0.0012516500000000, 0.0012230600000000 ] - [ -0.0000661100000000, -0.0000633200000000, 0.0004814700000000 ] - [ -0.0034820500000000, -0.0015129700000000, -0.0007044200000000 ] - [ 0.0007511200000000, -0.0014197200000000, 0.0003131600000000 ] - [ 0.0003586400000000, -0.0001613800000000, -0.0007961200000000 ] - [ -0.0004606700000000, -0.0026610000000000, -0.0001598800000000 ] - [ -0.0001237600000000, -0.0006973000000000, -0.0000952800000000 ] - [ 0.0001056800000000, -0.0012716200000000, 0.0003171200000000 ] - [ 0.0001504300000000, -0.0009849500000000, 0.0003690800000000 ] - [ -0.0157749400000000, 0.0090043900000000, -0.0022508300000000 ] - [ -0.0003570900000000, 0.0008274100000000, -0.0001682700000000 ]- atom: 43 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ 0.0021398900000000, -0.0001072600000000, -0.0006677400000000 ] - [ -0.0019533000000000, -0.0008725100000000, 0.0030790300000000 ] - [ -0.0002084900000000, -0.0002694400000000, 0.0001177600000000 ] - [ -0.0023985900000000, 0.0021198500000000, -0.0000590900000000 ] - [ 0.0001853900000000, 0.0000404700000000, -0.0001862500000000 ] - [ -0.0000962600000000, 0.0006994500000000, 0.0001912100000000 ] - [ -0.0024831800000000, -0.0020347200000000, 0.0039919200000000 ] - [ -0.0000758500000000, -0.0000434200000000, 0.0000979400000000 ] - [ -0.0009894600000000, 0.0015494000000000, 0.0000722900000000 ] - [ 0.0007848000000000, 0.0002622300000000, -0.0004551400000000 ] - [ 0.0024480500000000, 0.0020310100000000, -0.0014494400000000 ] - [ -0.0002176300000000, 0.0000229500000000, 0.0000691400000000 ] - [ 0.0002198700000000, 0.0006577500000000, -0.0007447400000000 ] - [ 0.0001101000000000, 0.0001409800000000, 0.0000187200000000 ] - [ 0.0027933300000000, -0.0023132500000000, -0.0012682800000000 ] - [ -0.0000176400000000, -0.0002995200000000, 0.0007501300000000 ] - [ 0.0020140800000000, -0.0001570700000000, -0.0062777000000000 ] - [ -0.0004165600000000, -0.0001776500000000, 0.0003698200000000 ] - [ -0.0022292100000000, -0.0030428000000000, -0.0011684500000000 ] - [ -0.0000720200000000, 0.0002627200000000, -0.0005916000000000 ] - [ -0.0002634600000000, 0.0007212600000000, 0.0003663700000000 ] - [ 0.0002377700000000, 0.0000911000000000, -0.0001122900000000 ] - [ -0.0005190200000000, 0.0007015200000000, 0.0006311700000000 ] - [ -0.0001650800000000, 0.0004748200000000, -0.0002998800000000 ] - [ -0.0053970000000000, -0.0110595900000000, 0.0131246200000000 ] - [ 0.0045666300000000, -0.0029132000000000, -0.0011606100000000 ] - [ -0.0093040500000000, -0.0143229500000000, 0.0494575200000000 ] - [ 0.0009903000000000, -0.0006222600000000, -0.0006272000000000 ] - [ -0.0008195500000000, 0.0009126600000000, -0.0003318600000000 ] - [ -0.0002988500000000, 0.0005665300000000, -0.0002274400000000 ] - [ -0.0008658700000000, 0.0007104200000000, 0.0022496300000000 ] - [ 0.0002030200000000, 0.0003177200000000, -0.0001545800000000 ] - [ 0.0001433100000000, 0.0005978900000000, -0.0022355300000000 ] - [ 0.0006862100000000, 0.0010245800000000, 0.0009586500000000 ] - [ -0.0003285000000000, -0.0005756900000000, 0.0008339100000000 ] - [ 0.0182619300000000, 0.0054932500000000, 0.0016700400000000 ] - [ -0.1154500100000000, -0.0405501100000000, 0.1360953700000000 ] - [ 0.0010568100000000, -0.0003193000000000, 0.0002436000000000 ] - [ -0.0174782300000000, -0.0055959800000000, -0.0111597100000000 ] - [ -0.0010224800000000, 0.0003879600000000, -0.0029035200000000 ] - [ 0.0004417500000000, -0.0010323900000000, -0.0004220500000000 ] - [ 0.0009575100000000, -0.0007963500000000, 0.0005765000000000 ] - [ 0.1698902600000000, 0.1083947000000000, -0.3003771000000000 ] - [ -0.0006124000000000, 0.0003511500000000, 0.0004842400000000 ] - [ 0.0001450900000000, -0.0014994800000000, -0.0006339200000000 ] - [ -0.0000645100000000, -0.0003549900000000, -0.0001960600000000 ] - [ 0.0008716400000000, -0.0007512700000000, -0.0012180500000000 ] - [ -0.0000338400000000, -0.0002475500000000, -0.0000570200000000 ] - [ 0.0003596000000000, -0.0001897000000000, -0.0005853900000000 ] - [ 0.0001274200000000, -0.0000963500000000, -0.0000462700000000 ] - [ 0.0128058300000000, 0.0095493700000000, 0.0584463700000000 ] - [ 0.0001752400000000, 0.0001694200000000, 0.0010869800000000 ] - [ -0.0152575000000000, -0.0221435600000000, 0.0156513900000000 ] - [ -0.0001921000000000, 0.0004937900000000, -0.0001300900000000 ] - [ 0.0204388200000000, -0.0037826900000000, -0.0003686600000000 ] - [ -0.0017347500000000, 0.0010325500000000, 0.0003877700000000 ] - [ 0.0026178800000000, -0.0018341900000000, 0.0049905500000000 ] - [ 0.0022327800000000, -0.0001155700000000, 0.0014628500000000 ] - [ -0.0151626900000000, -0.0302736300000000, 0.0193088000000000 ] - [ -0.0010797500000000, -0.0003557100000000, -0.0001928600000000 ] - [ -0.0258274700000000, 0.0047525400000000, 0.0275110500000000 ] - [ 0.0000440800000000, 0.0002935600000000, 0.0002567800000000 ] - [ 0.0001879300000000, 0.0006561100000000, -0.0006518400000000 ] - [ -0.0000765700000000, -0.0002577700000000, -0.0002280800000000 ] - [ 0.0009997400000000, 0.0041408800000000, 0.0046802400000000 ] - [ 0.0008188000000000, 0.0001342700000000, 0.0007474900000000 ] - [ 0.0008800800000000, 0.0002639400000000, -0.0000273000000000 ] - [ -0.0039167400000000, -0.0017695600000000, 0.0029027600000000 ] - [ -0.0002106700000000, -0.0002623400000000, -0.0000325100000000 ] - [ 0.0002395900000000, -0.0003075200000000, -0.0002388000000000 ] - [ 0.0003744300000000, 0.0001034200000000, -0.0004042300000000 ] - [ -0.0001378000000000, 0.0003985200000000, 0.0001291100000000 ] - [ -0.0003584500000000, 0.0020895600000000, -0.0006499100000000 ] - [ -0.0006426700000000, -0.0002552700000000, -0.0005463000000000 ] - [ 0.0001480800000000, -0.0004011800000000, 0.0003749900000000 ] - [ 0.0001591500000000, -0.0000865000000000, 0.0000019400000000 ] - [ -0.0002130600000000, 0.0022369600000000, -0.0019283400000000 ] - [ -0.0075876600000000, 0.0004720900000000, 0.0019509600000000 ] - [ 0.0004493600000000, -0.0008356000000000, -0.0001289400000000 ] - [ 0.0001282200000000, -0.0001241600000000, -0.0001991000000000 ] - [ 0.0042077800000000, 0.0011684400000000, -0.0024240900000000 ] - [ -0.0006681100000000, 0.0009958300000000, 0.0024291600000000 ] - [ -0.0007926400000000, 0.0000570100000000, -0.0000081700000000 ] - [ -0.0030048900000000, -0.0020128300000000, -0.0020430800000000 ] - [ -0.0000347100000000, -0.0006552700000000, 0.0016866700000000 ] - [ 0.0004569400000000, -0.0000915300000000, -0.0009135500000000 ] - [ 0.0001824400000000, -0.0006357300000000, 0.0003669700000000 ] - [ -0.0001136500000000, -0.0005224000000000, -0.0001252300000000 ] - [ 0.0001542300000000, -0.0003924500000000, -0.0005150400000000 ] - [ -0.0000540600000000, -0.0005797200000000, 0.0001683400000000 ] - [ -0.0152904500000000, -0.0001655300000000, -0.0124202700000000 ] - [ -0.0011987200000000, 0.0005649200000000, -0.0001975000000000 ]- atom: 43 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ -0.0024319100000000, 0.0000518200000000, 0.0007807400000000 ] - [ 0.0017160100000000, 0.0007944700000000, -0.0029462600000000 ] - [ -0.0001115700000000, 0.0001916400000000, 0.0005080200000000 ] - [ 0.0020969800000000, -0.0022017000000000, 0.0006844200000000 ] - [ -0.0001767300000000, -0.0001095700000000, -0.0001130200000000 ] - [ 0.0001080700000000, -0.0007681100000000, -0.0004889900000000 ] - [ 0.0021154200000000, 0.0021109600000000, -0.0033278900000000 ] - [ -0.0003043100000000, 0.0000895500000000, 0.0005582100000000 ] - [ 0.0013680100000000, -0.0015248400000000, -0.0007290700000000 ] - [ -0.0004007800000000, -0.0002168400000000, -0.0001986800000000 ] - [ -0.0024555600000000, -0.0021753000000000, 0.0013110500000000 ] - [ 0.0002177800000000, -0.0001565500000000, -0.0002124000000000 ] - [ 0.0000753200000000, -0.0007107600000000, 0.0006240900000000 ] - [ 0.0001833600000000, -0.0001978300000000, -0.0001412300000000 ] - [ -0.0028123000000000, 0.0021984500000000, 0.0014074500000000 ] - [ 0.0000160400000000, 0.0001635100000000, -0.0006054900000000 ] - [ -0.0020153300000000, 0.0000744000000000, 0.0065979000000000 ] - [ 0.0004090200000000, 0.0001111600000000, -0.0000694600000000 ] - [ 0.0025692900000000, 0.0029751600000000, 0.0005274000000000 ] - [ 0.0003875900000000, -0.0003383900000000, -0.0000296000000000 ] - [ 0.0001829200000000, -0.0011524200000000, -0.0004569200000000 ] - [ -0.0003219900000000, -0.0005236900000000, 0.0000219000000000 ] - [ 0.0001595600000000, -0.0006968900000000, -0.0008163600000000 ] - [ -0.0001915000000000, -0.0004689300000000, 0.0001196900000000 ] - [ 0.0055673000000000, 0.0107457300000000, -0.0130420800000000 ] - [ -0.0044663600000000, 0.0024729700000000, 0.0012652900000000 ] - [ 0.0107348600000000, 0.0116059400000000, -0.0448237700000000 ] - [ -0.0006238400000000, 0.0006295700000000, 0.0008081300000000 ] - [ 0.0000005800000000, -0.0012563100000000, 0.0003922300000000 ] - [ -0.0005114900000000, -0.0009029500000000, 0.0002867000000000 ] - [ 0.0005845900000000, -0.0010516100000000, -0.0023577600000000 ] - [ -0.0004849000000000, -0.0006585900000000, 0.0000619000000000 ] - [ -0.0004746100000000, 0.0003937000000000, 0.0024542700000000 ] - [ -0.0010213700000000, -0.0000346600000000, -0.0007728000000000 ] - [ 0.0006836000000000, 0.0015467100000000, -0.0010395000000000 ] - [ -0.0179648000000000, -0.0044954300000000, -0.0018182200000000 ] - [ 0.1255674700000000, 0.0439279700000000, -0.1436043000000000 ] - [ -0.0002452400000000, -0.0000140300000000, -0.0003023200000000 ] - [ 0.0176837400000000, 0.0052764700000000, 0.0113380000000000 ] - [ 0.0013223800000000, -0.0007184400000000, 0.0029850900000000 ] - [ 0.0010956200000000, -0.0000086300000000, 0.0008007400000000 ] - [ 0.0005762100000000, -0.0002442600000000, -0.0002051100000000 ] - [ -0.1815287000000000, -0.1092082400000000, 0.3036948500000000 ] - [ 0.0002576300000000, 0.0001440700000000, -0.0001036500000000 ] - [ -0.0001869000000000, 0.0011978500000000, 0.0003656500000000 ] - [ 0.0000249800000000, 0.0000466200000000, -0.0000760400000000 ] - [ -0.0005638000000000, 0.0006129700000000, 0.0007599200000000 ] - [ 0.0003449600000000, 0.0001087900000000, -0.0004060800000000 ] - [ -0.0000028800000000, 0.0006878200000000, 0.0002065000000000 ] - [ 0.0002230700000000, 0.0005919000000000, -0.0003336200000000 ] - [ -0.0129016700000000, -0.0098232800000000, -0.0576887600000000 ] - [ -0.0004389600000000, -0.0005560700000000, -0.0012243600000000 ] - [ 0.0151880200000000, 0.0231563000000000, -0.0159531000000000 ] - [ -0.0001238300000000, -0.0000580300000000, 0.0000430500000000 ] - [ -0.0207233400000000, 0.0051139300000000, -0.0000825900000000 ] - [ 0.0017419500000000, 0.0001428300000000, -0.0004931700000000 ] - [ -0.0025308600000000, 0.0015031100000000, -0.0047160400000000 ] - [ -0.0021999900000000, -0.0001956700000000, -0.0011728100000000 ] - [ 0.0136414500000000, 0.0288834100000000, -0.0195637000000000 ] - [ -0.0004619200000000, -0.0006841100000000, -0.0001818400000000 ] - [ 0.0263785100000000, -0.0046713800000000, -0.0275210300000000 ] - [ -0.0001707300000000, 0.0000247000000000, 0.0004466700000000 ] - [ 0.0000163300000000, -0.0005545000000000, 0.0002181600000000 ] - [ 0.0002829200000000, 0.0003655900000000, -0.0002132900000000 ] - [ -0.0011758400000000, -0.0040031800000000, -0.0042249000000000 ] - [ -0.0010282700000000, -0.0000304300000000, -0.0002992600000000 ] - [ -0.0006634300000000, -0.0000318700000000, 0.0008009000000000 ] - [ 0.0041429600000000, 0.0019895300000000, -0.0021399200000000 ] - [ 0.0003422400000000, 0.0005869100000000, -0.0006738200000000 ] - [ -0.0001127600000000, 0.0006266100000000, -0.0004658900000000 ] - [ -0.0003930500000000, 0.0010724900000000, 0.0005099600000000 ] - [ 0.0001199500000000, 0.0007774500000000, -0.0000245600000000 ] - [ 0.0001385300000000, -0.0018865400000000, -0.0001403400000000 ] - [ 0.0004161400000000, 0.0004768200000000, -0.0002249400000000 ] - [ 0.0001746100000000, 0.0008422300000000, -0.0002893400000000 ] - [ 0.0001568000000000, 0.0005226400000000, 0.0000858500000000 ] - [ -0.0002866800000000, -0.0024946300000000, 0.0020054900000000 ] - [ 0.0070632200000000, -0.0007577000000000, -0.0018726600000000 ] - [ -0.0001207800000000, 0.0009348500000000, -0.0003122600000000 ] - [ 0.0001990600000000, 0.0002217100000000, -0.0002425300000000 ] - [ -0.0045002300000000, -0.0013380100000000, 0.0028594500000000 ] - [ 0.0003443000000000, -0.0011373000000000, -0.0019646700000000 ] - [ -0.0001141700000000, -0.0003775900000000, 0.0011482600000000 ] - [ 0.0021116200000000, 0.0016969400000000, 0.0031585200000000 ] - [ 0.0009403800000000, 0.0003387100000000, -0.0028330800000000 ] - [ 0.0004509700000000, -0.0002338300000000, -0.0002115300000000 ] - [ 0.0002895700000000, 0.0003696900000000, -0.0004436000000000 ] - [ 0.0005897000000000, 0.0002604100000000, 0.0000548800000000 ] - [ 0.0001103600000000, 0.0000086500000000, 0.0006605800000000 ] - [ 0.0003152000000000, 0.0001961800000000, -0.0000295400000000 ] - [ 0.0149408600000000, 0.0002720300000000, 0.0130394200000000 ] - [ 0.0008753600000000, -0.0004648400000000, 0.0006328900000000 ]- atom: 45 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ -0.0003359000000000, 0.0001559500000000, -0.0000119900000000 ] - [ -0.0000970500000000, -0.0004322300000000, 0.0001240700000000 ] - [ -0.0010086700000000, 0.0004172400000000, 0.0000278200000000 ] - [ 0.0044622000000000, 0.0011417800000000, 0.0004085600000000 ] - [ -0.0021434000000000, -0.0009118600000000, -0.0004099000000000 ] - [ -0.0020518300000000, 0.0013595500000000, 0.0008520600000000 ] - [ 0.0007316700000000, -0.0000468800000000, 0.0007580100000000 ] - [ -0.0006963200000000, -0.0001373100000000, 0.0000824200000000 ] - [ 0.0013957700000000, -0.0008606000000000, -0.0006054200000000 ] - [ 0.0000179300000000, 0.0004913300000000, -0.0007581300000000 ] - [ 0.0053479300000000, -0.0018480700000000, -0.0000544300000000 ] - [ -0.0009987400000000, -0.0005800100000000, -0.0003202600000000 ] - [ 0.0034560000000000, 0.0006891700000000, 0.0004340500000000 ] - [ -0.0010068100000000, -0.0000945100000000, -0.0006381400000000 ] - [ -0.0002437200000000, -0.0008072200000000, 0.0003456300000000 ] - [ -0.0004266500000000, 0.0003280900000000, 0.0000822100000000 ] - [ 0.0003642900000000, -0.0002334400000000, 0.0003994900000000 ] - [ -0.0003110200000000, 0.0000476900000000, -0.0000487400000000 ] - [ 0.0013472000000000, 0.0001997100000000, 0.0001448700000000 ] - [ -0.0003101800000000, -0.0002259200000000, -0.0005283900000000 ] - [ 0.0023177700000000, -0.0049717900000000, 0.0085295200000000 ] - [ -0.0025798400000000, -0.0009379200000000, -0.0017588700000000 ] - [ 0.0041852900000000, 0.0085073700000000, -0.0068652000000000 ] - [ -0.0010730800000000, -0.0010067300000000, -0.0023930600000000 ] - [ 0.0000842000000000, -0.0002292700000000, 0.0001967900000000 ] - [ -0.0000598800000000, -0.0003674200000000, -0.0001956400000000 ] - [ 0.0010826900000000, 0.0002850200000000, 0.0003212800000000 ] - [ -0.0004814400000000, -0.0003242100000000, -0.0002467000000000 ] - [ 0.0016608400000000, -0.0044207200000000, 0.0038357500000000 ] - [ -0.0041461000000000, 0.0031527700000000, -0.0050984200000000 ] - [ 0.0701077500000000, 0.0461007900000000, 0.0344365800000000 ] - [ -0.0021878300000000, -0.0000795700000000, -0.0010357500000000 ] - [ -0.0001955000000000, -0.0002185300000000, 0.0022472300000000 ] - [ -0.0036049500000000, 0.0011360300000000, -0.0013312500000000 ] - [ -0.0012359100000000, -0.0004496100000000, -0.0008764900000000 ] - [ 0.0008834100000000, 0.0012316200000000, 0.0007714300000000 ] - [ 0.0013386100000000, -0.0008874900000000, 0.0000998800000000 ] - [ -0.0003378100000000, -0.0001414900000000, -0.0003619800000000 ] - [ 0.0004998000000000, 0.0004273100000000, 0.0007644600000000 ] - [ -0.0001136000000000, -0.0011428800000000, -0.0007591600000000 ] - [ 0.0025893000000000, -0.0023986400000000, 0.0014883000000000 ] - [ 0.0007991700000000, -0.0001833600000000, 0.0002411500000000 ] - [ -0.0006434300000000, 0.0003920500000000, 0.0001538300000000 ] - [ 0.0001963000000000, 0.0002512300000000, 0.0003153700000000 ] - [ -0.0730631200000000, -0.0568020500000000, -0.0402953700000000 ] - [ 0.0010679900000000, 0.0000859000000000, 0.0004322400000000 ] - [ -0.0037586600000000, -0.0115137400000000, -0.0206809500000000 ] - [ 0.0011792100000000, -0.0001577600000000, 0.0002361700000000 ] - [ -0.0006684900000000, -0.0001060100000000, 0.0022601400000000 ] - [ 0.0012932300000000, 0.0001839100000000, 0.0027703000000000 ] - [ -0.0005909500000000, -0.0003905100000000, -0.0005343700000000 ] - [ 0.0002870200000000, 0.0001378200000000, 0.0004577600000000 ] - [ -0.0013139200000000, 0.0008136400000000, -0.0002684600000000 ] - [ 0.0002456000000000, 0.0001344600000000, 0.0001280400000000 ] - [ -0.0004265300000000, 0.0007823400000000, -0.0000700600000000 ] - [ 0.0003661100000000, 0.0005684900000000, 0.0000847200000000 ] - [ 0.0000610100000000, -0.0002103800000000, 0.0000490400000000 ] - [ -0.0000657100000000, 0.0000230200000000, 0.0001840000000000 ] - [ -0.0016126200000000, -0.0010429600000000, -0.0004648000000000 ] - [ 0.0002898400000000, -0.0001652400000000, 0.0000939400000000 ] - [ -0.0003581400000000, 0.0008719400000000, 0.0002868000000000 ] - [ 0.0002208200000000, 0.0001579200000000, 0.0005042000000000 ] - [ -0.0125586200000000, 0.0107980900000000, 0.0023782400000000 ] - [ 0.0008150300000000, -0.0000998900000000, 0.0000542900000000 ] - [ 0.0000032500000000, -0.0006628700000000, -0.0001393100000000 ] - [ 0.0002877600000000, 0.0009900600000000, 0.0006586700000000 ] - [ 0.0007583300000000, 0.0006299300000000, 0.0006738900000000 ] - [ -0.0003125200000000, -0.0002069400000000, -0.0000004400000000 ] - [ 0.0032965700000000, 0.0015623900000000, -0.0026296300000000 ] - [ 0.0039059300000000, -0.0010018300000000, 0.0020319000000000 ] - [ -0.0050870900000000, 0.0004949200000000, -0.0012731400000000 ] - [ 0.0014841900000000, 0.0008896200000000, 0.0008342000000000 ] - [ 0.0003485900000000, 0.0009201900000000, -0.0018208400000000 ] - [ 0.0007394100000000, -0.0002237000000000, -0.0001055000000000 ] - [ 0.0002191000000000, 0.0016180800000000, -0.0003283400000000 ] - [ 0.0011277400000000, -0.0014893900000000, 0.0009882300000000 ] - [ -0.0001078900000000, 0.0001136100000000, 0.0001401200000000 ] - [ -0.0003350600000000, -0.0002599100000000, -0.0000880900000000 ] - [ -0.0016766600000000, 0.0007046900000000, -0.0056020800000000 ] - [ 0.0021738400000000, -0.0000716200000000, 0.0021770300000000 ] - [ -0.0001624500000000, -0.0002401900000000, 0.0000745900000000 ] - [ -0.0001486000000000, 0.0002058800000000, 0.0004612300000000 ] - [ 0.0001539900000000, 0.0005487200000000, 0.0010767800000000 ] - [ -0.0004647900000000, -0.0008106400000000, 0.0000729700000000 ] - [ -0.0008429200000000, 0.0000650400000000, -0.0019509300000000 ] - [ 0.0014017300000000, -0.0004351700000000, 0.0003581900000000 ] - [ -0.0001927200000000, 0.0003919800000000, -0.0015235000000000 ] - [ 0.0023458200000000, 0.0003115900000000, 0.0005798400000000 ] - [ 0.0022908100000000, 0.0098251100000000, 0.0233419900000000 ] - [ 0.0011808400000000, -0.0005160700000000, 0.0011980900000000 ] - [ -0.0006166100000000, 0.0000840000000000, -0.0001137700000000 ] - [ 0.0002417900000000, 0.0001165400000000, 0.0005391600000000 ]- atom: 45 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ 0.0000439700000000, -0.0002093000000000, 0.0001348500000000 ] - [ -0.0001960200000000, 0.0003801700000000, -0.0000018800000000 ] - [ 0.0006901000000000, -0.0004914600000000, 0.0005990800000000 ] - [ -0.0049557300000000, -0.0014478500000000, 0.0001770300000000 ] - [ 0.0021584600000000, 0.0008354800000000, 0.0001074600000000 ] - [ 0.0020638800000000, -0.0014432400000000, -0.0011691700000000 ] - [ -0.0011139200000000, 0.0000922000000000, -0.0001027500000000 ] - [ 0.0003159300000000, 0.0001857100000000, 0.0005743400000000 ] - [ -0.0010094800000000, 0.0009112400000000, -0.0000352800000000 ] - [ 0.0003612600000000, -0.0004491900000000, 0.0001043700000000 ] - [ -0.0052050100000000, 0.0015074500000000, -0.0001553700000000 ] - [ 0.0010026900000000, 0.0004506400000000, 0.0001789600000000 ] - [ -0.0031774000000000, -0.0007707700000000, -0.0005593700000000 ] - [ 0.0013030000000000, 0.0000378000000000, 0.0005180600000000 ] - [ 0.0002610500000000, 0.0006870000000000, -0.0002066600000000 ] - [ 0.0004285200000000, -0.0004652500000000, 0.0000635600000000 ] - [ -0.0003744100000000, 0.0001689600000000, -0.0001026000000000 ] - [ 0.0003023200000000, -0.0001148500000000, 0.0003469000000000 ] - [ -0.0010462100000000, -0.0002688300000000, -0.0007797900000000 ] - [ 0.0006296600000000, 0.0001499600000000, -0.0000972700000000 ] - [ -0.0024280200000000, 0.0044939100000000, -0.0085631600000000 ] - [ 0.0025021500000000, 0.0005094100000000, 0.0016758000000000 ] - [ -0.0045208900000000, -0.0085022900000000, 0.0067046000000000 ] - [ 0.0007153800000000, 0.0010185700000000, 0.0022224100000000 ] - [ 0.0000036200000000, -0.0001954400000000, -0.0001049800000000 ] - [ 0.0001400800000000, -0.0000594600000000, 0.0002861300000000 ] - [ -0.0007253500000000, -0.0002702200000000, -0.0001377300000000 ] - [ 0.0008403300000000, 0.0003329400000000, 0.0004288200000000 ] - [ -0.0024693200000000, 0.0040513000000000, -0.0037392000000000 ] - [ 0.0033525500000000, -0.0035199900000000, 0.0051974000000000 ] - [ -0.0713025600000000, -0.0475471100000000, -0.0353247700000000 ] - [ 0.0019100700000000, -0.0002643300000000, 0.0009433700000000 ] - [ -0.0001407700000000, 0.0011932600000000, -0.0020621800000000 ] - [ 0.0032815900000000, -0.0001467300000000, 0.0015190300000000 ] - [ 0.0015715600000000, 0.0014439500000000, 0.0007008700000000 ] - [ -0.0005622600000000, -0.0002331900000000, -0.0009614000000000 ] - [ -0.0005267300000000, 0.0005706000000000, -0.0001511900000000 ] - [ 0.0011526200000000, -0.0001909700000000, 0.0003037400000000 ] - [ -0.0002170800000000, -0.0007581400000000, -0.0006666300000000 ] - [ 0.0003945000000000, 0.0008130500000000, 0.0008551400000000 ] - [ -0.0010661000000000, 0.0013673400000000, -0.0011112200000000 ] - [ 0.0007366300000000, -0.0008561500000000, 0.0001337100000000 ] - [ 0.0002908700000000, 0.0000988700000000, 0.0002256300000000 ] - [ -0.0005511500000000, 0.0002433500000000, 0.0000641200000000 ] - [ 0.0740055800000000, 0.0579569500000000, 0.0406258100000000 ] - [ -0.0011111000000000, -0.0003951800000000, -0.0007059600000000 ] - [ 0.0041134600000000, 0.0114344800000000, 0.0202954700000000 ] - [ -0.0008707200000000, 0.0000203900000000, -0.0007017600000000 ] - [ 0.0010239700000000, 0.0006031300000000, -0.0026453200000000 ] - [ -0.0009451600000000, 0.0003141200000000, -0.0031739400000000 ] - [ 0.0003279700000000, 0.0000020200000000, 0.0003921300000000 ] - [ -0.0005482900000000, -0.0005247400000000, -0.0005983600000000 ] - [ 0.0009974000000000, -0.0003843500000000, 0.0001814800000000 ] - [ -0.0005639500000000, 0.0003020300000000, -0.0002159800000000 ] - [ 0.0004428200000000, 0.0003870400000000, -0.0000372800000000 ] - [ -0.0003475200000000, 0.0006079900000000, -0.0001895300000000 ] - [ -0.0000218100000000, -0.0001005500000000, 0.0002217800000000 ] - [ 0.0001090400000000, -0.0003359600000000, 0.0000902300000000 ] - [ 0.0000827000000000, -0.0000019100000000, 0.0000888400000000 ] - [ -0.0018285300000000, -0.0008757000000000, -0.0004730100000000 ] - [ 0.0002319300000000, -0.0005700300000000, 0.0004131000000000 ] - [ -0.0003491900000000, 0.0001588800000000, 0.0001980500000000 ] - [ 0.0126392500000000, -0.0107280000000000, -0.0028911800000000 ] - [ -0.0006112600000000, 0.0002111500000000, -0.0004962000000000 ] - [ -0.0002072400000000, 0.0007640500000000, 0.0005779000000000 ] - [ -0.0004946600000000, -0.0008895900000000, -0.0002195000000000 ] - [ -0.0005319500000000, -0.0004070400000000, 0.0000951200000000 ] - [ 0.0005458000000000, 0.0004276200000000, 0.0007789500000000 ] - [ -0.0031235400000000, -0.0012315700000000, 0.0019021400000000 ] - [ -0.0038235700000000, 0.0013248400000000, -0.0027574700000000 ] - [ 0.0050658600000000, 0.0006940800000000, 0.0013492400000000 ] - [ -0.0015060300000000, 0.0002851800000000, -0.0007329000000000 ] - [ -0.0005778500000000, -0.0006999400000000, 0.0010536300000000 ] - [ -0.0009681900000000, 0.0004450800000000, -0.0006678900000000 ] - [ 0.0000935900000000, -0.0011666900000000, 0.0004144900000000 ] - [ -0.0008151100000000, 0.0019491800000000, -0.0009046000000000 ] - [ -0.0003660300000000, -0.0003775500000000, -0.0000699800000000 ] - [ -0.0001347300000000, -0.0000083600000000, 0.0001603300000000 ] - [ 0.0019954100000000, -0.0005980200000000, 0.0051319700000000 ] - [ -0.0018532000000000, 0.0001729400000000, -0.0026315000000000 ] - [ -0.0001475800000000, 0.0000980000000000, 0.0003868600000000 ] - [ -0.0001623600000000, -0.0003496600000000, 0.0000015400000000 ] - [ -0.0010690500000000, -0.0008766000000000, 0.0000411700000000 ] - [ -0.0004366300000000, 0.0004847100000000, 0.0010561000000000 ] - [ 0.0017516900000000, -0.0003909800000000, 0.0008181000000000 ] - [ -0.0004977600000000, 0.0001102200000000, -0.0014855700000000 ] - [ 0.0006885100000000, -0.0006337600000000, 0.0014480900000000 ] - [ -0.0018774100000000, -0.0005755100000000, -0.0006521600000000 ] - [ -0.0019894600000000, -0.0100968300000000, -0.0228997600000000 ] - [ -0.0009211800000000, 0.0001350200000000, -0.0010627100000000 ] - [ 0.0002896100000000, 0.0000107900000000, 0.0005545000000000 ] - [ -0.0005678600000000, -0.0000197500000000, -0.0000972300000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000460000000000, -0.0005757800000000, 0.0002075000000000 ] - [ -0.0005454400000000, -0.0011261300000000, 0.0001421700000000 ] - [ 0.0001013700000000, 0.0001523300000000, 0.0002757900000000 ] - [ 0.0005157400000000, 0.0027550300000000, -0.0000156500000000 ] - [ -0.0017729800000000, 0.0009686300000000, -0.0003191700000000 ] - [ 0.0015551700000000, 0.0012945400000000, 0.0002734800000000 ] - [ 0.0002362300000000, -0.0013965700000000, 0.0021141500000000 ] - [ -0.0004338700000000, -0.0001650700000000, 0.0001568800000000 ] - [ -0.0004707800000000, -0.0007465800000000, -0.0026332200000000 ] - [ 0.0005061500000000, 0.0003038300000000, -0.0001781300000000 ] - [ -0.0002190500000000, 0.0028405500000000, -0.0001359200000000 ] - [ -0.0005529300000000, -0.0000534200000000, -0.0002240700000000 ] - [ 0.0012493900000000, 0.0068106200000000, -0.0001661300000000 ] - [ -0.0002797300000000, 0.0002812000000000, -0.0002907300000000 ] - [ -0.0027845700000000, -0.0029643100000000, 0.0011449400000000 ] - [ 0.0002270800000000, -0.0002766500000000, 0.0002141200000000 ] - [ 0.0001026800000000, -0.0017239700000000, -0.0002350800000000 ] - [ -0.0001047100000000, -0.0002803900000000, 0.0000695200000000 ] - [ 0.0027427500000000, -0.0026258000000000, 0.0010810300000000 ] - [ -0.0001815200000000, -0.0003210700000000, -0.0004066600000000 ] - [ 0.0015478200000000, 0.0122219200000000, -0.0059615600000000 ] - [ -0.0006619000000000, 0.0003399600000000, -0.0003529700000000 ] - [ 0.0027241200000000, 0.0081842300000000, -0.0021801100000000 ] - [ -0.0012956600000000, 0.0014748700000000, -0.0007303200000000 ] - [ -0.0000187900000000, -0.0020867300000000, 0.0006283700000000 ] - [ 0.0006654200000000, -0.0015271100000000, -0.0002725600000000 ] - [ 0.0002894700000000, -0.0026960800000000, 0.0004167100000000 ] - [ -0.0001119500000000, -0.0010130800000000, -0.0000437600000000 ] - [ -0.0013098400000000, 0.0041334100000000, -0.0019915500000000 ] - [ -0.0007591500000000, 0.0052610300000000, -0.0002841500000000 ] - [ 0.0486924600000000, 0.2847532300000000, 0.1617507900000000 ] - [ -0.0007274600000000, 0.0007551000000000, -0.0003840900000000 ] - [ -0.0016747000000000, 0.0066248100000000, -0.0033199000000000 ] - [ 0.0004073500000000, 0.0013628200000000, 0.0004044000000000 ] - [ -0.0008254900000000, -0.0013568200000000, -0.0019490800000000 ] - [ 0.0007854400000000, -0.0023720500000000, 0.0004020300000000 ] - [ 0.0021928500000000, -0.0082769200000000, 0.0013999300000000 ] - [ 0.0000740200000000, -0.0009342800000000, -0.0000560500000000 ] - [ 0.0006811900000000, -0.0026827200000000, -0.0004024900000000 ] - [ -0.0001830900000000, -0.0025368200000000, -0.0005849400000000 ] - [ 0.0006673900000000, -0.0026754600000000, -0.0004836100000000 ] - [ 0.0024408300000000, -0.0021458300000000, 0.0007849000000000 ] - [ -0.0000018700000000, 0.0025549400000000, -0.0012080900000000 ] - [ 0.0000035700000000, 0.0006364200000000, 0.0000524100000000 ] - [ -0.0588151600000000, -0.3320946600000000, -0.1972900000000000 ] - [ 0.0002204900000000, -0.0005375900000000, -0.0000783800000000 ] - [ -0.0047338100000000, -0.0039251900000000, 0.0175167500000000 ] - [ 0.0005027200000000, -0.0004965000000000, -0.0000035400000000 ] - [ -0.0002953300000000, -0.0013366700000000, 0.0014187700000000 ] - [ 0.0009698100000000, -0.0014880500000000, 0.0001404300000000 ] - [ -0.0003655000000000, 0.0011087400000000, 0.0002905500000000 ] - [ 0.0001493700000000, 0.0006081400000000, 0.0005139000000000 ] - [ -0.0008298100000000, 0.0075952300000000, -0.0011903200000000 ] - [ -0.0001033200000000, 0.0005921600000000, -0.0000954600000000 ] - [ 0.0001163600000000, 0.0023328800000000, 0.0001773100000000 ] - [ -0.0000275000000000, 0.0012177600000000, 0.0000075400000000 ] - [ 0.0000783200000000, 0.0011780700000000, -0.0001391200000000 ] - [ -0.0001623600000000, 0.0010477400000000, -0.0000771600000000 ] - [ -0.0006671300000000, 0.0010490900000000, -0.0003434600000000 ] - [ 0.0001952900000000, 0.0002113200000000, 0.0001962400000000 ] - [ -0.0008028300000000, 0.0050751400000000, 0.0009794700000000 ] - [ 0.0000021900000000, 0.0005405400000000, 0.0004819600000000 ] - [ 0.0111890800000000, 0.0363721000000000, 0.0136908000000000 ] - [ 0.0001927900000000, -0.0004070800000000, -0.0000002900000000 ] - [ -0.0011081200000000, 0.0015680300000000, 0.0006716200000000 ] - [ 0.0005570700000000, 0.0015514900000000, 0.0008774100000000 ] - [ 0.0005413900000000, 0.0005051600000000, 0.0008919900000000 ] - [ -0.0003402000000000, 0.0010275400000000, -0.0010176500000000 ] - [ -0.0016064200000000, -0.0028634500000000, 0.0009911000000000 ] - [ 0.0017005700000000, -0.0022953500000000, 0.0006487400000000 ] - [ -0.0003450900000000, -0.0046625200000000, -0.0033120700000000 ] - [ 0.0007147700000000, 0.0000859800000000, 0.0002369500000000 ] - [ 0.0010687000000000, -0.0001141700000000, -0.0005484200000000 ] - [ -0.0003001300000000, -0.0000264200000000, -0.0006851100000000 ] - [ 0.0011631600000000, -0.0012138900000000, -0.0000467000000000 ] - [ -0.0014530600000000, -0.0018172300000000, -0.0009941200000000 ] - [ -0.0006123200000000, 0.0010016500000000, 0.0001948400000000 ] - [ -0.0009825300000000, 0.0016240800000000, 0.0000501900000000 ] - [ 0.0009902100000000, -0.0026173000000000, 0.0024101000000000 ] - [ 0.0004962500000000, -0.0008393300000000, -0.0000529200000000 ] - [ -0.0003542500000000, 0.0008244100000000, 0.0005462600000000 ] - [ -0.0000273300000000, 0.0008911600000000, 0.0006926700000000 ] - [ 0.0009205000000000, 0.0008539000000000, 0.0019370700000000 ] - [ -0.0011713900000000, 0.0006302400000000, 0.0003925700000000 ] - [ 0.0003653900000000, 0.0004237500000000, 0.0046985000000000 ] - [ 0.0004687500000000, -0.0002462900000000, -0.0005756300000000 ] - [ -0.0026255000000000, -0.0048550700000000, 0.0011220600000000 ] - [ 0.0003563200000000, -0.0008918800000000, 0.0000872800000000 ] - [ 0.0017378200000000, -0.0096473300000000, 0.0078873100000000 ] - [ 0.0003922400000000, -0.0010305100000000, 0.0006798700000000 ] - [ -0.0008849900000000, 0.0018004500000000, -0.0009142400000000 ] - [ -0.0000144700000000, 0.0005398500000000, 0.0002251900000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003426100000000, 0.0005181600000000, -0.0000866300000000 ] - [ 0.0002592400000000, 0.0010697200000000, -0.0000193800000000 ] - [ -0.0004177800000000, -0.0002355700000000, 0.0003514800000000 ] - [ -0.0011058600000000, -0.0030718100000000, 0.0005895100000000 ] - [ 0.0017892600000000, -0.0010198300000000, 0.0000164700000000 ] - [ -0.0015568500000000, -0.0013521100000000, -0.0005688400000000 ] - [ -0.0006164500000000, 0.0014405000000000, -0.0014723500000000 ] - [ 0.0000537900000000, 0.0002081300000000, 0.0004997300000000 ] - [ 0.0008511000000000, 0.0008127100000000, 0.0019698800000000 ] - [ -0.0001232100000000, -0.0002526600000000, -0.0004779100000000 ] - [ 0.0004831500000000, -0.0032268000000000, -0.0000992200000000 ] - [ 0.0005527600000000, -0.0000852300000000, 0.0000816500000000 ] - [ -0.0009495100000000, -0.0067860500000000, -0.0000868300000000 ] - [ 0.0005750500000000, -0.0003317500000000, 0.0001700600000000 ] - [ 0.0027643500000000, 0.0028252900000000, -0.0009910600000000 ] - [ -0.0002218900000000, 0.0001475600000000, -0.0000618300000000 ] - [ -0.0001103900000000, 0.0016561300000000, 0.0005394800000000 ] - [ 0.0000949300000000, 0.0002102000000000, 0.0002278700000000 ] - [ -0.0024047700000000, 0.0025499400000000, -0.0016979300000000 ] - [ 0.0004980600000000, 0.0002507600000000, -0.0002199000000000 ] - [ -0.0016608900000000, -0.0126530700000000, 0.0058871900000000 ] - [ 0.0005813100000000, -0.0007701700000000, 0.0002595400000000 ] - [ -0.0030718400000000, -0.0082461600000000, 0.0020452100000000 ] - [ 0.0009422400000000, -0.0014805100000000, 0.0005403800000000 ] - [ 0.0000940200000000, 0.0016575300000000, -0.0005481700000000 ] - [ -0.0005781000000000, 0.0010974800000000, 0.0003660000000000 ] - [ 0.0000723800000000, 0.0027076200000000, -0.0002444000000000 ] - [ 0.0004702700000000, 0.0010212000000000, 0.0002264900000000 ] - [ 0.0005021400000000, -0.0044263000000000, 0.0020553400000000 ] - [ -0.0000751000000000, -0.0055852400000000, 0.0003245200000000 ] - [ -0.0460117700000000, -0.2743520000000000, -0.1511680500000000 ] - [ 0.0004461000000000, -0.0010870700000000, 0.0002904700000000 ] - [ 0.0013466800000000, -0.0056714800000000, 0.0035152500000000 ] - [ -0.0007291000000000, -0.0003899100000000, -0.0002156500000000 ] - [ 0.0011508600000000, 0.0023568400000000, 0.0017489700000000 ] - [ -0.0004490800000000, 0.0033702400000000, -0.0005826000000000 ] - [ -0.0013818200000000, 0.0079447100000000, -0.0014804800000000 ] - [ 0.0007413800000000, 0.0005965400000000, 0.0000013700000000 ] - [ -0.0004032800000000, 0.0023378400000000, 0.0004950800000000 ] - [ 0.0004706700000000, 0.0021984000000000, 0.0006831200000000 ] - [ 0.0008569500000000, 0.0016538300000000, 0.0008623900000000 ] - [ -0.0009160500000000, 0.0011164400000000, -0.0004102600000000 ] - [ -0.0003560200000000, -0.0020620300000000, 0.0015987500000000 ] - [ -0.0003573600000000, -0.0001381500000000, 0.0003249100000000 ] - [ 0.0555959300000000, 0.3206849200000000, 0.1863213900000000 ] - [ -0.0002622500000000, 0.0002272700000000, -0.0001966100000000 ] - [ 0.0050115900000000, 0.0036888800000000, -0.0178552600000000 ] - [ -0.0001928300000000, 0.0003558900000000, -0.0004593800000000 ] - [ 0.0006499300000000, 0.0018327000000000, -0.0018194400000000 ] - [ -0.0006129400000000, 0.0019916500000000, -0.0005064000000000 ] - [ 0.0001042900000000, -0.0014896400000000, -0.0004266900000000 ] - [ -0.0004128500000000, -0.0009912600000000, -0.0006550100000000 ] - [ 0.0005081100000000, -0.0071817500000000, 0.0011035300000000 ] - [ -0.0002148900000000, -0.0001498400000000, 0.0000065300000000 ] - [ -0.0000961900000000, -0.0011577800000000, -0.0002745800000000 ] - [ 0.0000438100000000, -0.0000432200000000, -0.0001124300000000 ] - [ -0.0000340500000000, -0.0014813100000000, 0.0004095800000000 ] - [ 0.0001988000000000, -0.0013560800000000, 0.0003479900000000 ] - [ -0.0008723500000000, -0.0020955600000000, -0.0000325100000000 ] - [ -0.0017259700000000, -0.0012521700000000, -0.0005697200000000 ] - [ 0.0006756600000000, -0.0047500100000000, -0.0002776100000000 ] - [ -0.0001305600000000, -0.0002209200000000, 0.0002212300000000 ] - [ -0.0106554200000000, -0.0352717400000000, -0.0138868200000000 ] - [ 0.0000126700000000, 0.0005104600000000, -0.0004407100000000 ] - [ 0.0009068800000000, -0.0014564600000000, -0.0002300800000000 ] - [ -0.0007679000000000, -0.0014431700000000, -0.0004377700000000 ] - [ -0.0003149000000000, -0.0002908900000000, -0.0001143100000000 ] - [ 0.0005646200000000, -0.0008117500000000, 0.0017851100000000 ] - [ 0.0017116400000000, 0.0031803400000000, -0.0016884900000000 ] - [ -0.0015600400000000, 0.0026193300000000, -0.0013441500000000 ] - [ 0.0003364700000000, 0.0058597900000000, 0.0034065200000000 ] - [ -0.0007342900000000, 0.0010939000000000, -0.0001301600000000 ] - [ -0.0013043500000000, 0.0003472700000000, -0.0002211000000000 ] - [ 0.0000713900000000, 0.0002568400000000, -0.0000861000000000 ] - [ -0.0008413700000000, 0.0016324100000000, 0.0001277400000000 ] - [ 0.0017753800000000, 0.0022432600000000, 0.0010843500000000 ] - [ 0.0001459600000000, -0.0012670900000000, -0.0001198500000000 ] - [ 0.0005062200000000, -0.0018879400000000, 0.0000201400000000 ] - [ -0.0006676900000000, 0.0027102500000000, -0.0028456300000000 ] - [ -0.0001650100000000, 0.0009356300000000, -0.0003837200000000 ] - [ 0.0000476000000000, -0.0009591100000000, -0.0000798200000000 ] - [ -0.0002866500000000, -0.0010305000000000, -0.0002303600000000 ] - [ -0.0018186200000000, -0.0011821600000000, -0.0008016300000000 ] - [ 0.0002619200000000, -0.0009606000000000, 0.0007296000000000 ] - [ 0.0005466200000000, -0.0007523100000000, -0.0058520300000000 ] - [ 0.0004362600000000, -0.0000718700000000, -0.0005529400000000 ] - [ 0.0031081900000000, 0.0046110700000000, -0.0011931700000000 ] - [ 0.0001138900000000, 0.0006359900000000, -0.0001598300000000 ] - [ -0.0015422000000000, 0.0091072000000000, -0.0078591900000000 ] - [ -0.0001307900000000, 0.0006469800000000, -0.0005397300000000 ] - [ 0.0005669000000000, -0.0017020700000000, 0.0013668200000000 ] - [ -0.0003135800000000, -0.0004387500000000, 0.0002131100000000 ]- atom: 45 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ -0.0000804300000000, -0.0000769500000000, 0.0002028000000000 ] - [ -0.0001905200000000, -0.0001316500000000, 0.0000966900000000 ] - [ 0.0000962800000000, -0.0001167900000000, 0.0002564500000000 ] - [ -0.0024576200000000, -0.0012354000000000, 0.0020459300000000 ] - [ -0.0006882600000000, 0.0000356700000000, 0.0008260700000000 ] - [ 0.0024633900000000, -0.0002730900000000, 0.0005396700000000 ] - [ 0.0001020600000000, 0.0011183300000000, 0.0001145200000000 ] - [ -0.0003853600000000, -0.0000440500000000, 0.0002628500000000 ] - [ -0.0005033400000000, -0.0014476000000000, -0.0012324700000000 ] - [ 0.0000825900000000, 0.0002735900000000, -0.0005384300000000 ] - [ -0.0013593500000000, 0.0003301900000000, 0.0019304900000000 ] - [ -0.0001168400000000, -0.0000740500000000, -0.0001659300000000 ] - [ -0.0005354600000000, -0.0001448100000000, 0.0013169000000000 ] - [ -0.0001971700000000, -0.0000535400000000, -0.0004100300000000 ] - [ 0.0003154100000000, -0.0000297500000000, 0.0000884900000000 ] - [ -0.0000145900000000, -0.0000733600000000, 0.0001950100000000 ] - [ 0.0000049400000000, -0.0006607600000000, 0.0000399300000000 ] - [ -0.0000444400000000, 0.0000083500000000, 0.0000835600000000 ] - [ -0.0001436800000000, 0.0000494000000000, 0.0000043000000000 ] - [ 0.0001359100000000, -0.0001057400000000, -0.0003789300000000 ] - [ 0.0060504100000000, 0.0066495800000000, -0.0144943600000000 ] - [ -0.0012173200000000, -0.0002804600000000, -0.0003700600000000 ] - [ -0.0042350200000000, 0.0030728000000000, -0.0057719100000000 ] - [ -0.0006211500000000, -0.0004884800000000, -0.0020757600000000 ] - [ 0.0000774600000000, -0.0005359100000000, 0.0002525500000000 ] - [ 0.0001452400000000, -0.0004735800000000, -0.0001856300000000 ] - [ 0.0000393200000000, -0.0008210700000000, 0.0002282200000000 ] - [ -0.0000218900000000, -0.0001949400000000, 0.0000232600000000 ] - [ 0.0017512600000000, 0.0018941100000000, -0.0056978900000000 ] - [ -0.0038964100000000, 0.0005964300000000, 0.0019063200000000 ] - [ 0.0030580800000000, 0.1272549300000000, 0.1496797800000000 ] - [ -0.0005027800000000, 0.0000924300000000, -0.0002715100000000 ] - [ 0.0015237000000000, 0.0039620500000000, -0.0061030800000000 ] - [ -0.0022844300000000, 0.0013206600000000, -0.0000881300000000 ] - [ -0.0003559900000000, -0.0001775700000000, -0.0000845200000000 ] - [ 0.0016151200000000, -0.0001361500000000, -0.0016636800000000 ] - [ 0.0006446900000000, -0.0008990700000000, 0.0008923100000000 ] - [ 0.0002766800000000, -0.0002701500000000, -0.0000974700000000 ] - [ 0.0004905100000000, -0.0007464100000000, -0.0004859800000000 ] - [ -0.0001883900000000, -0.0004836500000000, -0.0000423200000000 ] - [ 0.0030121400000000, -0.0022666400000000, 0.0004114500000000 ] - [ 0.0006817100000000, -0.0009108200000000, 0.0010676200000000 ] - [ -0.0000535000000000, 0.0006537600000000, -0.0003309100000000 ] - [ -0.0000989300000000, 0.0002883700000000, 0.0001886800000000 ] - [ -0.0061700900000000, -0.1517926300000000, -0.1745753100000000 ] - [ 0.0000330800000000, -0.0002034700000000, 0.0000077900000000 ] - [ -0.0061545500000000, 0.0203086900000000, 0.0248461800000000 ] - [ 0.0004328600000000, -0.0001307300000000, -0.0001994200000000 ] - [ -0.0002095600000000, 0.0009331400000000, 0.0032586100000000 ] - [ 0.0028932800000000, -0.0000838700000000, 0.0013648600000000 ] - [ -0.0002391100000000, 0.0001658000000000, 0.0001757000000000 ] - [ 0.0000395200000000, -0.0000704500000000, 0.0000787100000000 ] - [ 0.0000361000000000, 0.0010859800000000, -0.0008225700000000 ] - [ -0.0001301500000000, 0.0002501300000000, -0.0000138500000000 ] - [ 0.0000294200000000, 0.0010037000000000, -0.0001259600000000 ] - [ 0.0000945000000000, 0.0006713500000000, 0.0000275800000000 ] - [ -0.0000752600000000, 0.0001174200000000, 0.0001562100000000 ] - [ 0.0001005600000000, -0.0000401100000000, 0.0000856900000000 ] - [ -0.0011465200000000, 0.0001900800000000, 0.0000508300000000 ] - [ -0.0004162300000000, -0.0003372900000000, -0.0001559900000000 ] - [ -0.0001597000000000, 0.0002686800000000, 0.0002538600000000 ] - [ -0.0000350900000000, 0.0002260800000000, 0.0003985100000000 ] - [ 0.0036957200000000, -0.0106584300000000, -0.0113919600000000 ] - [ 0.0001770200000000, -0.0000805100000000, -0.0001235300000000 ] - [ -0.0006102700000000, 0.0006024000000000, 0.0005133400000000 ] - [ 0.0000954000000000, 0.0002366600000000, 0.0002566700000000 ] - [ 0.0004531000000000, 0.0005367400000000, 0.0004701200000000 ] - [ -0.0002696000000000, -0.0005918500000000, 0.0013372000000000 ] - [ -0.0035612500000000, -0.0015611200000000, 0.0016563100000000 ] - [ 0.0003757600000000, 0.0002147300000000, -0.0016095000000000 ] - [ 0.0004303200000000, -0.0014996700000000, 0.0073967300000000 ] - [ 0.0008914400000000, 0.0007154400000000, 0.0004769600000000 ] - [ -0.0012593000000000, -0.0006324200000000, 0.0015152700000000 ] - [ 0.0003331000000000, -0.0002045400000000, -0.0007715300000000 ] - [ -0.0000326700000000, -0.0002242900000000, 0.0008973100000000 ] - [ 0.0007486800000000, -0.0002172700000000, -0.0007643700000000 ] - [ -0.0003132200000000, 0.0001545800000000, 0.0000096300000000 ] - [ -0.0005355300000000, 0.0001615200000000, 0.0003339500000000 ] - [ -0.0011244300000000, -0.0002591600000000, 0.0069687300000000 ] - [ 0.0011131100000000, 0.0000329700000000, -0.0001135300000000 ] - [ -0.0003293000000000, 0.0000130800000000, 0.0004858400000000 ] - [ 0.0000075500000000, 0.0001881600000000, 0.0003285600000000 ] - [ -0.0002635500000000, 0.0002290200000000, 0.0005271500000000 ] - [ -0.0011394700000000, 0.0005646700000000, 0.0009767900000000 ] - [ 0.0002940500000000, 0.0014947000000000, 0.0048854000000000 ] - [ 0.0008982500000000, -0.0004178300000000, -0.0001882200000000 ] - [ -0.0039534800000000, -0.0031066900000000, 0.0030201900000000 ] - [ 0.0013297300000000, -0.0001457200000000, 0.0001194700000000 ] - [ 0.0115843700000000, 0.0076271600000000, 0.0049537700000000 ] - [ 0.0001593200000000, -0.0005262800000000, 0.0008030400000000 ] - [ -0.0003903400000000, 0.0002213800000000, -0.0002619400000000 ] - [ -0.0001015800000000, 0.0001218800000000, 0.0003158600000000 ]- atom: 45 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ -0.0002128000000000, 0.0000226800000000, -0.0000801700000000 ] - [ -0.0001031300000000, 0.0000782600000000, 0.0000279200000000 ] - [ -0.0004146200000000, 0.0000416800000000, 0.0003689900000000 ] - [ 0.0021580700000000, 0.0011618500000000, -0.0014403800000000 ] - [ 0.0007089500000000, -0.0001065600000000, -0.0011275300000000 ] - [ -0.0024469600000000, 0.0002043900000000, -0.0008269400000000 ] - [ -0.0004863500000000, -0.0010700000000000, 0.0005464500000000 ] - [ 0.0000057600000000, 0.0000911300000000, 0.0003934700000000 ] - [ 0.0008736700000000, 0.0014920000000000, 0.0005881800000000 ] - [ 0.0003001700000000, -0.0002287100000000, -0.0001178500000000 ] - [ 0.0014556000000000, -0.0005834100000000, -0.0020843500000000 ] - [ 0.0001179400000000, -0.0000595500000000, 0.0000266000000000 ] - [ 0.0008359300000000, 0.0003101600000000, -0.0017422100000000 ] - [ 0.0004897300000000, -0.0000013600000000, 0.0002886700000000 ] - [ -0.0002967800000000, -0.0000912300000000, 0.0000451200000000 ] - [ 0.0000165300000000, -0.0000594500000000, -0.0000465800000000 ] - [ -0.0000140600000000, 0.0005971800000000, 0.0002561700000000 ] - [ 0.0000350900000000, -0.0000765800000000, 0.0002150600000000 ] - [ 0.0004442100000000, -0.0001144900000000, -0.0006380500000000 ] - [ 0.0001818100000000, 0.0000297400000000, -0.0002476000000000 ] - [ -0.0061358200000000, -0.0070343200000000, 0.0143643800000000 ] - [ 0.0011374400000000, -0.0001522100000000, 0.0002784400000000 ] - [ 0.0038356000000000, -0.0031094100000000, 0.0056314600000000 ] - [ 0.0002723200000000, 0.0004900100000000, 0.0018957100000000 ] - [ 0.0000064800000000, 0.0001080100000000, -0.0001591400000000 ] - [ -0.0000590600000000, 0.0000433000000000, 0.0002762500000000 ] - [ 0.0003117700000000, 0.0008257400000000, -0.0000421200000000 ] - [ 0.0003827200000000, 0.0002028200000000, 0.0001581900000000 ] - [ -0.0026202700000000, -0.0022452100000000, 0.0057478300000000 ] - [ 0.0030863800000000, -0.0009414300000000, -0.0018660300000000 ] - [ -0.0016708500000000, -0.1235948900000000, -0.1483282000000000 ] - [ 0.0002251100000000, -0.0004333600000000, 0.0001808600000000 ] - [ -0.0018392700000000, -0.0029468000000000, 0.0063056800000000 ] - [ 0.0019625300000000, -0.0003340400000000, 0.0002768700000000 ] - [ 0.0006884200000000, 0.0011729200000000, -0.0000915100000000 ] - [ -0.0012817300000000, 0.0011186900000000, 0.0014736600000000 ] - [ 0.0001651500000000, 0.0005769300000000, -0.0009382500000000 ] - [ 0.0005394800000000, -0.0000638600000000, 0.0000410900000000 ] - [ -0.0002109700000000, 0.0004142600000000, 0.0005813100000000 ] - [ 0.0004725300000000, 0.0001494300000000, 0.0001340200000000 ] - [ -0.0014819400000000, 0.0012330200000000, -0.0000425700000000 ] - [ 0.0008408300000000, -0.0001277400000000, -0.0006942800000000 ] - [ -0.0002966100000000, -0.0001593200000000, 0.0007066400000000 ] - [ -0.0002561200000000, 0.0002071300000000, 0.0001910500000000 ] - [ 0.0044167700000000, 0.1469950100000000, 0.1728066200000000 ] - [ -0.0000736400000000, -0.0001065400000000, -0.0002817800000000 ] - [ 0.0062649600000000, -0.0199276100000000, -0.0248347300000000 ] - [ -0.0001243800000000, -0.0000079300000000, -0.0002625600000000 ] - [ 0.0005815000000000, -0.0004312700000000, -0.0036648000000000 ] - [ -0.0025574900000000, 0.0005861700000000, -0.0017439700000000 ] - [ -0.0000210200000000, -0.0005514800000000, -0.0003153400000000 ] - [ -0.0003011400000000, -0.0003145900000000, -0.0002177600000000 ] - [ -0.0003531300000000, -0.0006538200000000, 0.0007372300000000 ] - [ -0.0001888000000000, 0.0001872800000000, -0.0000738800000000 ] - [ -0.0000084300000000, 0.0001679400000000, 0.0000185300000000 ] - [ -0.0000784800000000, 0.0005040100000000, -0.0001313400000000 ] - [ 0.0001152600000000, -0.0004280100000000, 0.0001160700000000 ] - [ -0.0000583200000000, -0.0002722300000000, 0.0001887300000000 ] - [ -0.0003843000000000, -0.0012241700000000, -0.0004260400000000 ] - [ -0.0011209800000000, -0.0007038700000000, -0.0002220800000000 ] - [ 0.0000330000000000, 0.0000338200000000, 0.0004464700000000 ] - [ -0.0000931100000000, 0.0000915800000000, 0.0003036800000000 ] - [ -0.0035341200000000, 0.0105682800000000, 0.0108610500000000 ] - [ 0.0000281500000000, 0.0001880500000000, -0.0003183100000000 ] - [ 0.0004064200000000, -0.0005016000000000, -0.0000720000000000 ] - [ -0.0003022300000000, -0.0001323600000000, 0.0001843100000000 ] - [ -0.0002255100000000, -0.0003144800000000, 0.0002994500000000 ] - [ 0.0004947200000000, 0.0008202100000000, -0.0005576200000000 ] - [ 0.0037206600000000, 0.0018807600000000, -0.0023512000000000 ] - [ -0.0002449800000000, 0.0001053900000000, 0.0009086600000000 ] - [ -0.0004162900000000, 0.0026573100000000, -0.0072259500000000 ] - [ -0.0009153200000000, 0.0004612400000000, -0.0003720000000000 ] - [ 0.0010327200000000, 0.0008474400000000, -0.0022967200000000 ] - [ -0.0005612900000000, 0.0004274300000000, -0.0000015100000000 ] - [ 0.0003551100000000, 0.0006738600000000, -0.0008017700000000 ] - [ -0.0004242200000000, 0.0006584800000000, 0.0008567100000000 ] - [ -0.0001582700000000, -0.0004182500000000, 0.0000608800000000 ] - [ 0.0000612900000000, -0.0004222700000000, -0.0002613300000000 ] - [ 0.0014829700000000, 0.0003672800000000, -0.0073984500000000 ] - [ -0.0007864400000000, 0.0000666800000000, -0.0003241300000000 ] - [ 0.0000205400000000, -0.0001549200000000, -0.0000239200000000 ] - [ -0.0003214900000000, -0.0003305700000000, 0.0001371400000000 ] - [ -0.0006506800000000, -0.0005571500000000, 0.0005920900000000 ] - [ 0.0002302500000000, -0.0008842000000000, 0.0001480500000000 ] - [ 0.0006091000000000, -0.0018445400000000, -0.0060283700000000 ] - [ 0.0000070400000000, 0.0000943300000000, -0.0009387000000000 ] - [ 0.0044172100000000, 0.0028282400000000, -0.0030991800000000 ] - [ -0.0008586900000000, -0.0001162400000000, -0.0001903900000000 ] - [ -0.0111732700000000, -0.0079463700000000, -0.0048747800000000 ] - [ 0.0000973700000000, 0.0001446200000000, -0.0006665300000000 ] - [ 0.0000642400000000, -0.0001244900000000, 0.0007009600000000 ] - [ -0.0002261900000000, -0.0000238900000000, 0.0001241600000000 ]- atom: 47 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ -0.0003564100000000, 0.0000948100000000, 0.0001194200000000 ] - [ 0.0000122800000000, -0.0002246600000000, -0.0001992100000000 ] - [ -0.0006893000000000, 0.0002016100000000, 0.0000744800000000 ] - [ 0.0012925800000000, -0.0000607100000000, -0.0000164400000000 ] - [ -0.0032475400000000, -0.0008749400000000, 0.0005641200000000 ] - [ 0.0097283600000000, 0.0002428900000000, 0.0018977900000000 ] - [ 0.0010988800000000, 0.0005389100000000, 0.0004409400000000 ] - [ -0.0010074300000000, -0.0001208300000000, 0.0001786700000000 ] - [ 0.0018745900000000, -0.0020137400000000, -0.0022567500000000 ] - [ -0.0004658200000000, 0.0002822000000000, -0.0003775800000000 ] - [ -0.0000572600000000, 0.0014171000000000, 0.0013643800000000 ] - [ -0.0006909300000000, -0.0003641100000000, -0.0006513000000000 ] - [ 0.0005860700000000, 0.0006060900000000, 0.0042422700000000 ] - [ -0.0008259900000000, -0.0001479600000000, -0.0009677200000000 ] - [ -0.0009627900000000, -0.0016799400000000, 0.0008293900000000 ] - [ -0.0006155500000000, 0.0003364400000000, -0.0005268900000000 ] - [ 0.0002780900000000, -0.0004178000000000, 0.0007134400000000 ] - [ -0.0003031400000000, 0.0001328800000000, -0.0001399500000000 ] - [ 0.0020543600000000, -0.0004001700000000, -0.0001535600000000 ] - [ -0.0003390700000000, -0.0001835200000000, -0.0005423300000000 ] - [ 0.0446761100000000, -0.0097419200000000, 0.0093035800000000 ] - [ -0.0032688300000000, -0.0008860000000000, -0.0009486200000000 ] - [ 0.0031080200000000, 0.0113918900000000, -0.0133245700000000 ] - [ -0.0033200400000000, 0.0008583600000000, 0.0003248900000000 ] - [ 0.0002975300000000, -0.0002855900000000, 0.0000837500000000 ] - [ -0.0009171000000000, -0.0000400600000000, -0.0001161300000000 ] - [ 0.0023751000000000, 0.0010379200000000, 0.0000580200000000 ] - [ -0.0010549100000000, -0.0004712800000000, -0.0001562100000000 ] - [ 0.0060048100000000, -0.0021284900000000, 0.0018194800000000 ] - [ -0.0015530800000000, 0.0001289000000000, -0.0025264800000000 ] - [ 0.1556029100000000, -0.0221368600000000, -0.0876512100000000 ] - [ -0.0034568500000000, -0.0000851300000000, -0.0015184800000000 ] - [ -0.0038267900000000, -0.0149212300000000, -0.0007048500000000 ] - [ -0.0051706600000000, 0.0022676700000000, -0.0015143700000000 ] - [ -0.0016408300000000, -0.0011236800000000, -0.0015352900000000 ] - [ 0.0005897700000000, 0.0039951300000000, 0.0043089400000000 ] - [ 0.0018257000000000, -0.0005849800000000, -0.0004415400000000 ] - [ -0.0008048400000000, -0.0000809500000000, -0.0005721200000000 ] - [ 0.0010966700000000, 0.0000293900000000, 0.0006465700000000 ] - [ -0.0007038300000000, -0.0003788400000000, -0.0002401700000000 ] - [ 0.0038164900000000, -0.0049093000000000, 0.0021707100000000 ] - [ 0.0042526000000000, 0.0006868700000000, 0.0006080900000000 ] - [ -0.0011218200000000, 0.0001044200000000, 0.0005376200000000 ] - [ 0.0004264200000000, 0.0002856000000000, 0.0002597400000000 ] - [ -0.0040478100000000, -0.0050272200000000, -0.0087941000000000 ] - [ 0.0010048700000000, 0.0001936000000000, 0.0006511400000000 ] - [ -0.2673784200000000, 0.0296037800000000, 0.1298402300000000 ] - [ 0.0019098400000000, -0.0000885700000000, -0.0002633200000000 ] - [ -0.0018376000000000, 0.0008803800000000, 0.0036948900000000 ] - [ 0.0006760000000000, 0.0000733100000000, -0.0005139000000000 ] - [ -0.0010134700000000, -0.0005029000000000, -0.0006430400000000 ] - [ 0.0005127500000000, -0.0000055400000000, 0.0003509100000000 ] - [ -0.0008065500000000, 0.0002427300000000, -0.0002639700000000 ] - [ 0.0003211200000000, 0.0000548000000000, 0.0002363500000000 ] - [ -0.0009864900000000, 0.0009480300000000, 0.0000538700000000 ] - [ 0.0009207300000000, 0.0005262400000000, 0.0000099400000000 ] - [ 0.0000120000000000, 0.0000539200000000, -0.0000641900000000 ] - [ 0.0000248400000000, -0.0002826200000000, 0.0003199000000000 ] - [ -0.0025992000000000, -0.0021498500000000, -0.0009490100000000 ] - [ 0.0007475800000000, 0.0001013200000000, 0.0001977500000000 ] - [ -0.0005286000000000, 0.0009250600000000, 0.0002602100000000 ] - [ 0.0003501300000000, 0.0001183100000000, 0.0006241900000000 ] - [ 0.0056502500000000, 0.0042817200000000, -0.0155945100000000 ] - [ 0.0011062500000000, -0.0000293700000000, 0.0002847200000000 ] - [ -0.0003555600000000, -0.0002517900000000, -0.0000092400000000 ] - [ 0.0001460300000000, 0.0002424100000000, 0.0004445900000000 ] - [ 0.0008541000000000, 0.0008507100000000, 0.0009494400000000 ] - [ 0.0001907600000000, -0.0004026400000000, -0.0016518100000000 ] - [ -0.0003575600000000, 0.0008126400000000, -0.0023768200000000 ] - [ 0.0006012300000000, 0.0004390800000000, 0.0016153800000000 ] - [ -0.0086806200000000, -0.0126776000000000, 0.0099712000000000 ] - [ 0.0022575400000000, 0.0004571800000000, 0.0001509200000000 ] - [ -0.0008678100000000, 0.0032738800000000, 0.0006960900000000 ] - [ 0.0010607000000000, -0.0005651900000000, -0.0005451300000000 ] - [ -0.0004921000000000, 0.0001695000000000, -0.0008882600000000 ] - [ 0.0002326400000000, -0.0000408800000000, 0.0017900900000000 ] - [ -0.0002218500000000, 0.0003620500000000, 0.0002501800000000 ] - [ 0.0001588100000000, -0.0012424300000000, -0.0006664600000000 ] - [ -0.0113423400000000, 0.0000419500000000, -0.0093729000000000 ] - [ 0.0018434300000000, 0.0001695900000000, 0.0012901200000000 ] - [ -0.0004353700000000, -0.0002055800000000, 0.0003378500000000 ] - [ 0.0003002800000000, 0.0000421500000000, 0.0000951100000000 ] - [ 0.0006619700000000, 0.0010593400000000, 0.0014660900000000 ] - [ 0.0011686700000000, -0.0038622000000000, -0.0008536700000000 ] - [ 0.0003528400000000, 0.0043296900000000, -0.0047123100000000 ] - [ 0.0016079300000000, -0.0006913900000000, 0.0006517000000000 ] - [ 0.0250546800000000, 0.0349193300000000, -0.0222253600000000 ] - [ 0.0031762100000000, -0.0000374000000000, 0.0007714600000000 ] - [ 0.0418970500000000, -0.0171147400000000, -0.0017699400000000 ] - [ 0.0026546800000000, -0.0004306500000000, 0.0009560000000000 ] - [ -0.0006974800000000, -0.0000182900000000, -0.0000221600000000 ] - [ 0.0005964300000000, 0.0000777600000000, 0.0007552500000000 ]- atom: 47 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ 0.0000637900000000, -0.0001506000000000, 0.0000041500000000 ] - [ -0.0003055300000000, 0.0001649400000000, 0.0003203400000000 ] - [ 0.0003746900000000, -0.0002797100000000, 0.0005552900000000 ] - [ -0.0016160000000000, -0.0000159000000000, 0.0006405600000000 ] - [ 0.0032353600000000, 0.0008049400000000, -0.0008501000000000 ] - [ -0.0105409700000000, -0.0002617100000000, -0.0025110000000000 ] - [ -0.0014776400000000, -0.0005118600000000, 0.0002113100000000 ] - [ 0.0006240500000000, 0.0001658000000000, 0.0004765200000000 ] - [ -0.0014470100000000, 0.0020795800000000, 0.0015995500000000 ] - [ 0.0008475300000000, -0.0002359800000000, -0.0002781400000000 ] - [ 0.0000618100000000, -0.0015576200000000, -0.0014969300000000 ] - [ 0.0006897000000000, 0.0002316600000000, 0.0005088300000000 ] - [ -0.0003030800000000, -0.0006410300000000, -0.0043573600000000 ] - [ 0.0011208900000000, 0.0000952900000000, 0.0008408800000000 ] - [ 0.0009531700000000, 0.0015393500000000, -0.0006775100000000 ] - [ 0.0006192800000000, -0.0004716500000000, 0.0006710500000000 ] - [ -0.0002880500000000, 0.0003439600000000, -0.0004132900000000 ] - [ 0.0002944500000000, -0.0002010200000000, 0.0004380200000000 ] - [ -0.0017264100000000, 0.0003179100000000, -0.0004741700000000 ] - [ 0.0006574400000000, 0.0001089100000000, -0.0000834900000000 ] - [ -0.0450004200000000, 0.0095556400000000, -0.0093334300000000 ] - [ 0.0031743100000000, 0.0004539900000000, 0.0008575400000000 ] - [ -0.0032501800000000, -0.0112420500000000, 0.0129896200000000 ] - [ 0.0029505800000000, -0.0008413600000000, -0.0005078300000000 ] - [ -0.0002098700000000, -0.0001497700000000, 0.0000050900000000 ] - [ 0.0009998400000000, -0.0003954700000000, 0.0002058100000000 ] - [ -0.0020128700000000, -0.0010312900000000, 0.0001221000000000 ] - [ 0.0014106800000000, 0.0004738000000000, 0.0003377100000000 ] - [ -0.0066855800000000, 0.0017931800000000, -0.0016780500000000 ] - [ 0.0007339000000000, -0.0004622600000000, 0.0025918800000000 ] - [ -0.1499145500000000, 0.0207400600000000, 0.0810448400000000 ] - [ 0.0031736800000000, -0.0002503400000000, 0.0014295800000000 ] - [ 0.0034503300000000, 0.0158423900000000, 0.0008936500000000 ] - [ 0.0048352700000000, -0.0012610200000000, 0.0016966700000000 ] - [ 0.0019651800000000, 0.0021029800000000, 0.0013378400000000 ] - [ -0.0002719300000000, -0.0030230200000000, -0.0044952500000000 ] - [ -0.0010062300000000, 0.0002336500000000, 0.0003803400000000 ] - [ 0.0016164200000000, -0.0002576600000000, 0.0005146700000000 ] - [ -0.0008100100000000, -0.0003810400000000, -0.0005524600000000 ] - [ 0.0009836000000000, 0.0000340900000000, 0.0003328700000000 ] - [ -0.0023001500000000, 0.0038282300000000, -0.0017705700000000 ] - [ -0.0027085300000000, -0.0017318200000000, -0.0002356400000000 ] - [ 0.0007650000000000, 0.0003968000000000, -0.0001598500000000 ] - [ -0.0007803300000000, 0.0002137700000000, 0.0001156500000000 ] - [ 0.0038495500000000, 0.0046747500000000, 0.0085497700000000 ] - [ -0.0010464300000000, -0.0005025100000000, -0.0009246700000000 ] - [ 0.2616383400000000, -0.0284765600000000, -0.1230185200000000 ] - [ -0.0015950200000000, -0.0000510700000000, -0.0002041200000000 ] - [ 0.0021449700000000, -0.0003913200000000, -0.0040511300000000 ] - [ -0.0003173000000000, 0.0004206400000000, 0.0001330200000000 ] - [ 0.0007480200000000, 0.0001234500000000, 0.0005047100000000 ] - [ -0.0007732100000000, -0.0003756800000000, -0.0004871300000000 ] - [ 0.0004866700000000, 0.0002014900000000, 0.0001767600000000 ] - [ -0.0006383600000000, 0.0003814400000000, -0.0003241100000000 ] - [ 0.0010014600000000, 0.0002255900000000, -0.0001557600000000 ] - [ -0.0009009500000000, 0.0006494500000000, -0.0001134700000000 ] - [ 0.0000271500000000, -0.0003514600000000, 0.0003299800000000 ] - [ 0.0000145000000000, -0.0000209100000000, -0.0000493300000000 ] - [ 0.0010750300000000, 0.0011048100000000, 0.0005719600000000 ] - [ -0.0022776700000000, -0.0011392200000000, -0.0005718900000000 ] - [ 0.0003975300000000, -0.0005928400000000, 0.0004461500000000 ] - [ -0.0004787300000000, 0.0002038600000000, 0.0000808000000000 ] - [ -0.0052171100000000, -0.0040038300000000, 0.0147460500000000 ] - [ -0.0009024600000000, 0.0001333300000000, -0.0007268600000000 ] - [ 0.0001474600000000, 0.0003630900000000, 0.0004483800000000 ] - [ -0.0003505900000000, -0.0001349900000000, -0.0000018600000000 ] - [ -0.0006248800000000, -0.0006237000000000, -0.0001748800000000 ] - [ 0.0000378100000000, 0.0006307400000000, 0.0024162700000000 ] - [ 0.0004634300000000, -0.0004838200000000, 0.0016389400000000 ] - [ -0.0004745700000000, -0.0001233400000000, -0.0023269900000000 ] - [ 0.0084217200000000, 0.0139770300000000, -0.0099682400000000 ] - [ -0.0022697900000000, 0.0007127700000000, -0.0000472900000000 ] - [ 0.0006454400000000, -0.0030427600000000, -0.0014637500000000 ] - [ -0.0012889600000000, 0.0007861000000000, -0.0002289700000000 ] - [ 0.0007947700000000, 0.0002489300000000, 0.0009552200000000 ] - [ 0.0000840500000000, 0.0004750100000000, -0.0017044200000000 ] - [ -0.0002529500000000, -0.0006190800000000, -0.0001767200000000 ] - [ -0.0006299800000000, 0.0009838000000000, 0.0007388300000000 ] - [ 0.0116478100000000, 0.0000668100000000, 0.0086200800000000 ] - [ -0.0015125000000000, -0.0000709800000000, -0.0017289900000000 ] - [ 0.0001228800000000, 0.0000704300000000, 0.0001291600000000 ] - [ -0.0006104700000000, -0.0001794100000000, 0.0003706000000000 ] - [ -0.0015626300000000, -0.0013752500000000, -0.0003337400000000 ] - [ -0.0020799600000000, 0.0035543000000000, 0.0019739300000000 ] - [ 0.0005615500000000, -0.0046602200000000, 0.0035978500000000 ] - [ -0.0007005200000000, 0.0003643600000000, -0.0017751100000000 ] - [ -0.0247516700000000, -0.0355024200000000, 0.0224534200000000 ] - [ -0.0026940300000000, -0.0002363800000000, -0.0008365800000000 ] - [ -0.0403600400000000, 0.0162516000000000, 0.0019356700000000 ] - [ -0.0023927500000000, 0.0000419900000000, -0.0008150100000000 ] - [ 0.0003689200000000, 0.0001213900000000, 0.0004609100000000 ] - [ -0.0009211600000000, 0.0000238000000000, -0.0003162300000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001831900000000, -0.0004941400000000, 0.0000771900000000 ] - [ -0.0001918700000000, -0.0011059000000000, -0.0000038300000000 ] - [ 0.0000929500000000, -0.0002400100000000, 0.0005494700000000 ] - [ -0.0009655600000000, -0.0009544600000000, -0.0003736000000000 ] - [ -0.0004892100000000, 0.0008801600000000, -0.0004883000000000 ] - [ 0.0008168500000000, 0.0025572200000000, -0.0006470900000000 ] - [ -0.0000235000000000, -0.0026532800000000, -0.0000102500000000 ] - [ -0.0002802400000000, -0.0003810000000000, 0.0003263600000000 ] - [ -0.0030121500000000, -0.0002713300000000, -0.0035012000000000 ] - [ 0.0006964400000000, 0.0004834600000000, -0.0001676900000000 ] - [ 0.0007125300000000, -0.0010266700000000, 0.0003963400000000 ] - [ -0.0000766800000000, -0.0001620400000000, -0.0001928700000000 ] - [ 0.0002630800000000, 0.0032392600000000, 0.0011405100000000 ] - [ 0.0003404300000000, 0.0004397400000000, 0.0000463200000000 ] - [ -0.0016611700000000, -0.0014215700000000, 0.0001899700000000 ] - [ 0.0005592400000000, -0.0001746200000000, 0.0005281300000000 ] - [ -0.0000475000000000, -0.0012662700000000, 0.0002276300000000 ] - [ 0.0000109400000000, -0.0004039400000000, 0.0001632000000000 ] - [ 0.0012365200000000, -0.0019240500000000, 0.0013551900000000 ] - [ 0.0000468100000000, 0.0000431000000000, -0.0003811600000000 ] - [ -0.0061244500000000, 0.0673005400000000, -0.0208675600000000 ] - [ 0.0003370100000000, 0.0006378700000000, 0.0001588600000000 ] - [ 0.0134094100000000, 0.0074419200000000, -0.0013888600000000 ] - [ -0.0018316900000000, 0.0019060300000000, -0.0000045200000000 ] - [ -0.0008245700000000, -0.0018484500000000, -0.0001010200000000 ] - [ 0.0013030200000000, -0.0015419900000000, 0.0000667200000000 ] - [ -0.0011097600000000, -0.0037370000000000, -0.0001624200000000 ] - [ 0.0004820700000000, -0.0005374900000000, 0.0001946600000000 ] - [ -0.0006469700000000, 0.0043277000000000, 0.0026903700000000 ] - [ -0.0002824600000000, 0.0036427600000000, 0.0013872900000000 ] - [ -0.0305925100000000, 0.0648798700000000, 0.0151595300000000 ] - [ -0.0001209200000000, 0.0010087200000000, -0.0004299300000000 ] - [ -0.0047716200000000, -0.0082181300000000, -0.0019461700000000 ] - [ 0.0025018400000000, -0.0000163000000000, 0.0007529000000000 ] - [ -0.0002944900000000, 0.0000889800000000, -0.0007966700000000 ] - [ 0.0032074500000000, -0.0027867300000000, -0.0025233900000000 ] - [ 0.0003025700000000, -0.0038242600000000, 0.0000097000000000 ] - [ 0.0006048400000000, -0.0010631900000000, 0.0002069000000000 ] - [ -0.0000910600000000, -0.0024466400000000, -0.0006853300000000 ] - [ 0.0003483400000000, -0.0017746100000000, 0.0001732500000000 ] - [ -0.0030102900000000, -0.0002603500000000, 0.0007969000000000 ] - [ 0.0037688700000000, -0.0004984000000000, 0.0007104600000000 ] - [ 0.0001579700000000, 0.0018661500000000, -0.0004120000000000 ] - [ -0.0002240800000000, 0.0006059300000000, -0.0000297600000000 ] - [ -0.0115048900000000, -0.0039332700000000, 0.0166052700000000 ] - [ -0.0001108800000000, -0.0005825100000000, -0.0002480600000000 ] - [ 0.0295537500000000, -0.1577763100000000, 0.0542119200000000 ] - [ 0.0001324000000000, -0.0005450600000000, -0.0000792500000000 ] - [ -0.0013333200000000, -0.0028752600000000, -0.0022860200000000 ] - [ 0.0009918000000000, -0.0010731200000000, -0.0009804900000000 ] - [ 0.0001764100000000, 0.0015315400000000, 0.0007954700000000 ] - [ -0.0002578200000000, 0.0003088100000000, 0.0000148200000000 ] - [ -0.0004030700000000, 0.0024149000000000, -0.0002484800000000 ] - [ -0.0002702800000000, 0.0007960200000000, -0.0001755500000000 ] - [ 0.0010264500000000, 0.0023446200000000, 0.0002927300000000 ] - [ -0.0005260100000000, 0.0010601000000000, -0.0000801700000000 ] - [ 0.0001888300000000, 0.0007397400000000, 0.0001216100000000 ] - [ -0.0002565300000000, 0.0008080900000000, -0.0002804500000000 ] - [ -0.0013950200000000, 0.0026198500000000, 0.0007126800000000 ] - [ -0.0005261500000000, -0.0003072300000000, -0.0000764100000000 ] - [ -0.0000660000000000, 0.0022124600000000, 0.0006853300000000 ] - [ -0.0002069100000000, 0.0005132900000000, 0.0003820600000000 ] - [ 0.0217596400000000, 0.0003757000000000, -0.0231954200000000 ] - [ -0.0001645500000000, -0.0006224500000000, -0.0000601100000000 ] - [ -0.0003290400000000, 0.0014382400000000, 0.0002988600000000 ] - [ -0.0001009800000000, 0.0009456600000000, 0.0004945300000000 ] - [ 0.0004117100000000, -0.0000657100000000, 0.0006940600000000 ] - [ -0.0007473400000000, 0.0001302500000000, 0.0004798700000000 ] - [ -0.0001660800000000, -0.0011659400000000, -0.0007136400000000 ] - [ 0.0003153900000000, -0.0010777300000000, 0.0000802700000000 ] - [ -0.0213703300000000, 0.0301453600000000, -0.0253007300000000 ] - [ 0.0004247900000000, 0.0000910700000000, 0.0000179200000000 ] - [ 0.0006100000000000, 0.0021292100000000, 0.0006172600000000 ] - [ -0.0007856800000000, 0.0006411500000000, -0.0002257900000000 ] - [ 0.0005586400000000, -0.0018346200000000, -0.0007031900000000 ] - [ -0.0010106200000000, -0.0016632100000000, -0.0015709900000000 ] - [ -0.0000960200000000, 0.0002744200000000, 0.0001539400000000 ] - [ -0.0016338900000000, 0.0020594900000000, 0.0004120600000000 ] - [ -0.0004708100000000, -0.0084600600000000, -0.0028932300000000 ] - [ -0.0001039200000000, -0.0008512400000000, -0.0008497600000000 ] - [ -0.0000158100000000, 0.0009908200000000, 0.0005957900000000 ] - [ -0.0002657900000000, 0.0007543300000000, 0.0004134600000000 ] - [ 0.0002247700000000, -0.0000329500000000, 0.0010898800000000 ] - [ -0.0032719500000000, 0.0020886000000000, 0.0012181200000000 ] - [ 0.0011709900000000, 0.0026800800000000, -0.0013924400000000 ] - [ -0.0000641100000000, 0.0001943200000000, -0.0010155300000000 ] - [ 0.0220458400000000, 0.0143252500000000, -0.0147597000000000 ] - [ -0.0007601600000000, -0.0007404100000000, -0.0001741000000000 ] - [ -0.0057097000000000, -0.0119214600000000, 0.0040959700000000 ] - [ 0.0003139200000000, -0.0011640300000000, 0.0005678300000000 ] - [ 0.0000756300000000, 0.0011014100000000, 0.0001560700000000 ] - [ -0.0004005500000000, 0.0006612000000000, -0.0000924900000000 ]- atom: 47 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001094300000000, 0.0004380800000000, 0.0000446400000000 ] - [ -0.0000994700000000, 0.0010498600000000, 0.0001284600000000 ] - [ -0.0004099500000000, 0.0001621800000000, 0.0000752400000000 ] - [ 0.0006385300000000, 0.0008692200000000, 0.0010026300000000 ] - [ 0.0005139500000000, -0.0009406700000000, 0.0001855500000000 ] - [ -0.0007565400000000, -0.0026369000000000, 0.0003763900000000 ] - [ -0.0003583500000000, 0.0027027600000000, 0.0006696900000000 ] - [ -0.0000990200000000, 0.0004264700000000, 0.0003288100000000 ] - [ 0.0034069400000000, 0.0003488100000000, 0.0028657100000000 ] - [ -0.0003127400000000, -0.0004362900000000, -0.0004883600000000 ] - [ -0.0007054100000000, 0.0008780000000000, -0.0005508400000000 ] - [ 0.0000741200000000, 0.0000271900000000, 0.0000506800000000 ] - [ 0.0000311500000000, -0.0032915300000000, -0.0012897100000000 ] - [ -0.0000481100000000, -0.0004927500000000, -0.0001670700000000 ] - [ 0.0016710400000000, 0.0012976400000000, -0.0000496300000000 ] - [ -0.0005555800000000, 0.0000415600000000, -0.0003809700000000 ] - [ 0.0000384500000000, 0.0011962500000000, 0.0000681500000000 ] - [ -0.0000208300000000, 0.0003342800000000, 0.0001346900000000 ] - [ -0.0009255700000000, 0.0018498700000000, -0.0019761900000000 ] - [ 0.0002708000000000, -0.0001173800000000, -0.0002461300000000 ] - [ 0.0055522900000000, -0.0696039400000000, 0.0238608100000000 ] - [ -0.0004147600000000, -0.0010677500000000, -0.0002501600000000 ] - [ -0.0138565900000000, -0.0075531700000000, 0.0013192200000000 ] - [ 0.0014847600000000, -0.0019065500000000, -0.0001808600000000 ] - [ 0.0009016600000000, 0.0014149200000000, 0.0001933500000000 ] - [ -0.0012140800000000, 0.0011093500000000, 0.0000230200000000 ] - [ 0.0014629000000000, 0.0037308300000000, 0.0003447600000000 ] - [ -0.0001215700000000, 0.0005445100000000, -0.0000132900000000 ] - [ -0.0001652500000000, -0.0046536900000000, -0.0026538400000000 ] - [ -0.0005327900000000, -0.0039745700000000, -0.0013386900000000 ] - [ 0.0296511700000000, -0.0646175600000000, -0.0146125600000000 ] - [ -0.0001560800000000, -0.0013457700000000, 0.0003370900000000 ] - [ 0.0044563200000000, 0.0092619700000000, 0.0021242900000000 ] - [ -0.0028257500000000, 0.0009976700000000, -0.0005628900000000 ] - [ 0.0006220400000000, 0.0009073900000000, 0.0006157100000000 ] - [ -0.0028608400000000, 0.0037777200000000, 0.0023310700000000 ] - [ 0.0005088500000000, 0.0034840000000000, -0.0000571200000000 ] - [ 0.0002114100000000, 0.0007270600000000, -0.0002631300000000 ] - [ 0.0003704500000000, 0.0021065100000000, 0.0007739900000000 ] - [ -0.0000639000000000, 0.0014339300000000, -0.0000809200000000 ] - [ 0.0045566400000000, -0.0007627800000000, -0.0004430000000000 ] - [ -0.0022535300000000, -0.0005473900000000, -0.0003388900000000 ] - [ -0.0005095200000000, -0.0013642500000000, 0.0007846100000000 ] - [ -0.0001318500000000, -0.0001077000000000, 0.0004077100000000 ] - [ 0.0114804300000000, 0.0036833500000000, -0.0170539500000000 ] - [ 0.0000693600000000, 0.0002744600000000, -0.0000248200000000 ] - [ -0.0283615200000000, 0.1593018800000000, -0.0588581000000000 ] - [ 0.0001745100000000, 0.0004054800000000, -0.0003845300000000 ] - [ 0.0017080900000000, 0.0033911000000000, 0.0019022100000000 ] - [ -0.0006412200000000, 0.0015727800000000, 0.0006091400000000 ] - [ -0.0004369300000000, -0.0019113100000000, -0.0009305200000000 ] - [ -0.0000044700000000, -0.0006914600000000, -0.0001530700000000 ] - [ 0.0000856400000000, -0.0019722900000000, 0.0001578100000000 ] - [ -0.0000483900000000, -0.0003583600000000, 0.0000875600000000 ] - [ -0.0010015800000000, -0.0011648600000000, -0.0003967300000000 ] - [ 0.0005418600000000, 0.0001154200000000, -0.0000233200000000 ] - [ -0.0001478400000000, -0.0010433800000000, 0.0001487400000000 ] - [ 0.0002969000000000, -0.0011136000000000, 0.0005508200000000 ] - [ -0.0001519800000000, -0.0036383700000000, -0.0010774100000000 ] - [ -0.0010091300000000, -0.0007337700000000, -0.0003001600000000 ] - [ -0.0000619900000000, -0.0018940200000000, 0.0000166100000000 ] - [ 0.0000781200000000, -0.0001922100000000, 0.0003213700000000 ] - [ -0.0213669600000000, -0.0002215800000000, 0.0225408500000000 ] - [ 0.0003688400000000, 0.0007250100000000, -0.0003808500000000 ] - [ 0.0001234500000000, -0.0013342500000000, 0.0001451900000000 ] - [ -0.0001045800000000, -0.0008400400000000, -0.0000539100000000 ] - [ -0.0001807200000000, 0.0002880700000000, 0.0000738500000000 ] - [ 0.0009723900000000, 0.0000922500000000, 0.0002963500000000 ] - [ 0.0002870000000000, 0.0014839300000000, 0.0000225500000000 ] - [ -0.0001832100000000, 0.0013974300000000, -0.0007821600000000 ] - [ 0.0217974000000000, -0.0295665700000000, 0.0259476600000000 ] - [ -0.0004487100000000, 0.0010859400000000, 0.0000870800000000 ] - [ -0.0008402100000000, -0.0019144500000000, -0.0013918500000000 ] - [ 0.0005572600000000, -0.0004149600000000, -0.0005454600000000 ] - [ -0.0002356900000000, 0.0022712700000000, 0.0008004000000000 ] - [ 0.0013296800000000, 0.0020964900000000, 0.0016582600000000 ] - [ -0.0003719800000000, -0.0005384000000000, -0.0000830600000000 ] - [ 0.0011558000000000, -0.0023173700000000, -0.0003390800000000 ] - [ 0.0008321500000000, 0.0086124500000000, 0.0023893400000000 ] - [ 0.0004309400000000, 0.0009490600000000, 0.0004102900000000 ] - [ -0.0002912400000000, -0.0011284000000000, -0.0001295700000000 ] - [ -0.0000473900000000, -0.0008936500000000, 0.0000532500000000 ] - [ -0.0011339400000000, -0.0002955000000000, 0.0000346500000000 ] - [ 0.0023436100000000, -0.0024010900000000, -0.0000893100000000 ] - [ -0.0002643600000000, -0.0030145900000000, 0.0002818800000000 ] - [ 0.0009700400000000, -0.0005153400000000, -0.0001152100000000 ] - [ -0.0218875300000000, -0.0147004800000000, 0.0149515200000000 ] - [ 0.0012284900000000, 0.0004822000000000, 0.0001000900000000 ] - [ 0.0058574500000000, 0.0116628100000000, -0.0039570500000000 ] - [ -0.0000557400000000, 0.0007822500000000, -0.0004312900000000 ] - [ -0.0004003300000000, -0.0009995300000000, 0.0002807100000000 ] - [ 0.0000722600000000, -0.0005612300000000, 0.0005311900000000 ]- atom: 47 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ 0.0000463600000000, 0.0001113900000000, 0.0000058200000000 ] - [ -0.0002896000000000, 0.0003479900000000, 0.0004237400000000 ] - [ -0.0002837600000000, 0.0002748200000000, 0.0001423200000000 ] - [ -0.0023507800000000, -0.0021546600000000, 0.0004226500000000 ] - [ 0.0027746700000000, -0.0002163700000000, -0.0007814600000000 ] - [ -0.0016354700000000, -0.0007265800000000, 0.0028153600000000 ] - [ -0.0008834700000000, 0.0010352500000000, 0.0010462400000000 ] - [ 0.0002282300000000, 0.0002181200000000, 0.0002870300000000 ] - [ -0.0027712000000000, -0.0010080900000000, 0.0022485800000000 ] - [ 0.0004774000000000, -0.0000542200000000, -0.0007768700000000 ] - [ 0.0023712100000000, -0.0021932700000000, -0.0018157000000000 ] - [ -0.0000398300000000, -0.0000968200000000, 0.0003126600000000 ] - [ 0.0018854700000000, -0.0006035200000000, -0.0071282500000000 ] - [ -0.0001921200000000, -0.0001599900000000, 0.0003293500000000 ] - [ 0.0027562600000000, 0.0021300200000000, -0.0012075000000000 ] - [ -0.0001626900000000, 0.0000181000000000, 0.0004538500000000 ] - [ 0.0000075100000000, 0.0004500000000000, -0.0004762600000000 ] - [ 0.0000267800000000, 0.0000231900000000, 0.0002654700000000 ] - [ -0.0020328200000000, 0.0023634400000000, -0.0015091300000000 ] - [ 0.0001415700000000, -0.0003391700000000, -0.0004050300000000 ] - [ -0.0155264800000000, -0.0174739300000000, 0.0461758300000000 ] - [ 0.0008974200000000, -0.0005219500000000, -0.0006667700000000 ] - [ -0.0113485300000000, -0.0090240200000000, 0.0111952800000000 ] - [ 0.0026078700000000, -0.0021378600000000, -0.0017787100000000 ] - [ -0.0001916300000000, -0.0000461500000000, 0.0005800300000000 ] - [ 0.0005086300000000, -0.0000312700000000, -0.0000992100000000 ] - [ -0.0012583400000000, -0.0008476000000000, 0.0008600700000000 ] - [ 0.0006840200000000, 0.0004002100000000, -0.0000204000000000 ] - [ -0.0196851700000000, 0.0018101100000000, -0.0118260500000000 ] - [ -0.0016065000000000, -0.0019843800000000, -0.0023062300000000 ] - [ -0.1281406400000000, 0.0158776100000000, 0.1421769800000000 ] - [ 0.0010252200000000, -0.0007024100000000, 0.0003742800000000 ] - [ 0.0053713600000000, 0.0175687500000000, 0.0005228100000000 ] - [ 0.0009076200000000, -0.0002904300000000, 0.0006177900000000 ] - [ 0.0006609500000000, 0.0013050800000000, 0.0017639600000000 ] - [ 0.0021706000000000, -0.0012677200000000, -0.0016212900000000 ] - [ -0.0002717500000000, 0.0009379200000000, 0.0019429800000000 ] - [ 0.0009225800000000, 0.0001347700000000, 0.0000998800000000 ] - [ -0.0003667900000000, 0.0005043900000000, -0.0002887200000000 ] - [ 0.0004590400000000, 0.0002957900000000, -0.0004121300000000 ] - [ 0.0015128000000000, 0.0014112100000000, -0.0017158600000000 ] - [ -0.0037008600000000, -0.0016792800000000, -0.0000848000000000 ] - [ 0.0004981300000000, 0.0003032900000000, -0.0008158000000000 ] - [ -0.0004578900000000, 0.0000751000000000, 0.0003206300000000 ] - [ -0.0167734100000000, 0.0176925400000000, 0.0194993700000000 ] - [ -0.0000301800000000, -0.0000943500000000, -0.0002404700000000 ] - [ 0.2218862500000000, 0.0419143900000000, -0.2940753500000000 ] - [ -0.0006143200000000, 0.0000759000000000, 0.0001649200000000 ] - [ 0.0046809600000000, -0.0001345000000000, -0.0027788200000000 ] - [ -0.0002509700000000, 0.0012202300000000, 0.0020454400000000 ] - [ 0.0003160200000000, -0.0002784800000000, 0.0001404300000000 ] - [ -0.0003134000000000, -0.0003659500000000, -0.0000711500000000 ] - [ 0.0002469400000000, 0.0003684100000000, -0.0003777300000000 ] - [ -0.0002832800000000, 0.0000615700000000, -0.0001156900000000 ] - [ 0.0006433300000000, 0.0005275500000000, -0.0005676700000000 ] - [ -0.0003980200000000, 0.0004339100000000, 0.0000459800000000 ] - [ -0.0001171500000000, -0.0005172200000000, 0.0004038100000000 ] - [ 0.0002255300000000, -0.0005168100000000, 0.0002505900000000 ] - [ -0.0007420900000000, 0.0011995400000000, -0.0000608500000000 ] - [ -0.0014014800000000, -0.0008764400000000, -0.0004968000000000 ] - [ 0.0000895000000000, -0.0014862700000000, 0.0000399200000000 ] - [ -0.0001482800000000, 0.0000788400000000, 0.0002219300000000 ] - [ -0.0263475900000000, -0.0109388700000000, 0.0235443200000000 ] - [ 0.0000385300000000, 0.0002886900000000, -0.0004367100000000 ] - [ -0.0001004400000000, -0.0003281300000000, 0.0005157600000000 ] - [ -0.0000564300000000, -0.0000489000000000, 0.0001653800000000 ] - [ 0.0002562000000000, 0.0000810000000000, -0.0003676200000000 ] - [ -0.0006381100000000, 0.0003815300000000, 0.0024758600000000 ] - [ 0.0019018400000000, -0.0030023400000000, 0.0056134200000000 ] - [ 0.0010865300000000, 0.0005423800000000, -0.0003945000000000 ] - [ 0.0167854300000000, -0.0143072500000000, -0.0008782500000000 ] - [ -0.0011888600000000, 0.0011247500000000, 0.0004824900000000 ] - [ 0.0000259300000000, -0.0034283400000000, -0.0020649900000000 ] - [ -0.0003349700000000, 0.0001765500000000, -0.0002881500000000 ] - [ 0.0025069000000000, 0.0027976300000000, 0.0036441200000000 ] - [ 0.0018794400000000, 0.0008209900000000, 0.0012219100000000 ] - [ -0.0001159500000000, -0.0004622000000000, -0.0002792800000000 ] - [ -0.0006616000000000, 0.0001113600000000, 0.0003127200000000 ] - [ 0.0131060100000000, -0.0054881100000000, 0.0572378800000000 ] - [ 0.0003968300000000, 0.0005594800000000, 0.0006133100000000 ] - [ 0.0000577700000000, -0.0003380400000000, 0.0000408500000000 ] - [ -0.0004745200000000, -0.0002808400000000, 0.0005355400000000 ] - [ -0.0016370600000000, -0.0009572600000000, -0.0005159000000000 ] - [ -0.0011828200000000, 0.0013400700000000, 0.0002157100000000 ] - [ -0.0003108900000000, -0.0044617400000000, 0.0045139900000000 ] - [ 0.0003306100000000, -0.0000578400000000, -0.0009206200000000 ] - [ -0.0315711700000000, -0.0371915000000000, 0.0149140800000000 ] - [ -0.0003783000000000, 0.0003467000000000, -0.0002684300000000 ] - [ -0.0142843600000000, 0.0093264000000000, -0.0127727300000000 ] - [ -0.0011517400000000, 0.0002627900000000, -0.0002433800000000 ] - [ -0.0001876800000000, -0.0000465600000000, -0.0003823900000000 ] - [ -0.0005109000000000, -0.0001621000000000, 0.0000903100000000 ]- atom: 47 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ -0.0003398600000000, -0.0001690500000000, 0.0001146400000000 ] - [ -0.0000009800000000, -0.0004040200000000, -0.0003022000000000 ] - [ -0.0000345500000000, -0.0003510800000000, 0.0004857800000000 ] - [ 0.0020487900000000, 0.0020817500000000, 0.0001971500000000 ] - [ -0.0027693300000000, 0.0001594800000000, 0.0004697000000000 ] - [ 0.0016915300000000, 0.0006568400000000, -0.0031030100000000 ] - [ 0.0004987900000000, -0.0010099400000000, -0.0003995900000000 ] - [ -0.0006079000000000, -0.0001733200000000, 0.0003675600000000 ] - [ 0.0031725800000000, 0.0010706500000000, -0.0028885100000000 ] - [ -0.0000941300000000, 0.0001002600000000, 0.0001226900000000 ] - [ -0.0023824500000000, 0.0020687500000000, 0.0016777100000000 ] - [ 0.0000387700000000, -0.0000375200000000, -0.0004550600000000 ] - [ -0.0015815800000000, 0.0005544400000000, 0.0070259100000000 ] - [ 0.0004840600000000, 0.0001083000000000, -0.0004506600000000 ] - [ -0.0027707200000000, -0.0022821200000000, 0.0013523800000000 ] - [ 0.0001646900000000, -0.0001495800000000, -0.0003119800000000 ] - [ -0.0000165800000000, -0.0005194600000000, 0.0007765600000000 ] - [ -0.0000355200000000, -0.0000941300000000, 0.0000321200000000 ] - [ 0.0023704000000000, -0.0024464000000000, 0.0008736900000000 ] - [ 0.0001721800000000, 0.0002624200000000, -0.0002227600000000 ] - [ 0.0148514600000000, 0.0132135700000000, -0.0422139200000000 ] - [ -0.0009737500000000, 0.0000929000000000, 0.0005743900000000 ] - [ 0.0111109900000000, 0.0090772800000000, -0.0113616800000000 ] - [ -0.0029597000000000, 0.0021402200000000, 0.0016035500000000 ] - [ 0.0002773300000000, -0.0003865400000000, -0.0004951000000000 ] - [ -0.0004261000000000, -0.0004002300000000, 0.0001904600000000 ] - [ 0.0016184500000000, 0.0008603200000000, -0.0006796800000000 ] - [ -0.0003269600000000, -0.0003961000000000, 0.0002015400000000 ] - [ 0.0188105600000000, -0.0021039300000000, 0.0119614900000000 ] - [ 0.0008084800000000, 0.0016503300000000, 0.0023499100000000 ] - [ 0.1382285900000000, -0.0182087900000000, -0.1503668300000000 ] - [ -0.0013109000000000, 0.0003652400000000, -0.0004694800000000 ] - [ -0.0057514100000000, -0.0166303000000000, -0.0003174700000000 ] - [ -0.0012072400000000, 0.0012714300000000, -0.0004254400000000 ] - [ -0.0003334000000000, -0.0003181700000000, -0.0019643800000000 ] - [ -0.0018496300000000, 0.0022444300000000, 0.0014807300000000 ] - [ 0.0010886300000000, -0.0012805900000000, -0.0020183000000000 ] - [ -0.0001089100000000, -0.0004730400000000, -0.0001568700000000 ] - [ 0.0006484000000000, -0.0008548100000000, 0.0003885300000000 ] - [ -0.0001751500000000, -0.0006355100000000, 0.0005051200000000 ] - [ -0.0000145500000000, -0.0024387100000000, 0.0020918200000000 ] - [ 0.0052135100000000, 0.0006311600000000, 0.0004504300000000 ] - [ -0.0008552000000000, 0.0001921000000000, 0.0011993400000000 ] - [ 0.0001035000000000, 0.0004231000000000, 0.0000558700000000 ] - [ 0.0170482300000000, -0.0184767500000000, -0.0201595400000000 ] - [ -0.0000087700000000, -0.0002154500000000, -0.0000343800000000 ] - [ -0.2321416400000000, -0.0358919800000000, 0.2977218800000000 ] - [ 0.0009254200000000, -0.0002166100000000, -0.0006286100000000 ] - [ -0.0043260900000000, 0.0005992500000000, 0.0023660500000000 ] - [ 0.0005933100000000, -0.0007228500000000, -0.0024263200000000 ] - [ -0.0005788700000000, -0.0001033700000000, -0.0002813700000000 ] - [ 0.0000513800000000, -0.0000169800000000, -0.0000677600000000 ] - [ -0.0005667900000000, 0.0000672600000000, 0.0002947300000000 ] - [ -0.0000348000000000, 0.0003778700000000, 0.0000261800000000 ] - [ -0.0006275800000000, 0.0006450300000000, 0.0004646300000000 ] - [ 0.0004164100000000, 0.0007425900000000, -0.0001514700000000 ] - [ 0.0001595000000000, 0.0002194500000000, -0.0001379800000000 ] - [ -0.0001870200000000, 0.0002087200000000, 0.0000216800000000 ] - [ -0.0007847700000000, -0.0022424000000000, -0.0003281900000000 ] - [ -0.0001292500000000, -0.0001624100000000, 0.0001220200000000 ] - [ -0.0002210000000000, 0.0018174400000000, 0.0006674500000000 ] - [ 0.0000205600000000, 0.0002412900000000, 0.0004816000000000 ] - [ 0.0272394000000000, 0.0114633200000000, -0.0245313000000000 ] - [ 0.0001695200000000, -0.0001834100000000, -0.0000046200000000 ] - [ -0.0001036700000000, 0.0004385700000000, -0.0000784500000000 ] - [ -0.0001510100000000, 0.0001559300000000, 0.0002754400000000 ] - [ -0.0000286300000000, 0.0001394600000000, 0.0011417500000000 ] - [ 0.0008617000000000, -0.0001448200000000, -0.0017252100000000 ] - [ -0.0017442200000000, 0.0032862300000000, -0.0062992600000000 ] - [ -0.0009599200000000, -0.0002216100000000, -0.0002976900000000 ] - [ -0.0169563200000000, 0.0158085700000000, 0.0006822100000000 ] - [ 0.0011653400000000, 0.0000514100000000, -0.0003798700000000 ] - [ -0.0002455200000000, 0.0036468800000000, 0.0012837900000000 ] - [ 0.0001014900000000, 0.0000507200000000, -0.0004824200000000 ] - [ -0.0021554700000000, -0.0023538500000000, -0.0035613900000000 ] - [ -0.0015702800000000, -0.0003846900000000, -0.0011249300000000 ] - [ -0.0003568000000000, 0.0002020000000000, 0.0003527800000000 ] - [ 0.0001906100000000, -0.0003769000000000, -0.0002486600000000 ] - [ -0.0126601900000000, 0.0054506000000000, -0.0568350600000000 ] - [ -0.0000714300000000, -0.0004630400000000, -0.0010531100000000 ] - [ -0.0003668100000000, 0.0002036300000000, 0.0004221100000000 ] - [ 0.0001626100000000, 0.0001405700000000, -0.0000718900000000 ] - [ 0.0007366100000000, 0.0006353700000000, 0.0016526000000000 ] - [ 0.0002940300000000, -0.0016804500000000, 0.0008841300000000 ] - [ 0.0012259700000000, 0.0041248500000000, -0.0056422300000000 ] - [ 0.0005708400000000, -0.0002632100000000, -0.0002107400000000 ] - [ 0.0317695300000000, 0.0365193300000000, -0.0148816900000000 ] - [ 0.0008418600000000, -0.0006135300000000, 0.0001957300000000 ] - [ 0.0144908900000000, -0.0097286300000000, 0.0130874800000000 ] - [ 0.0014175500000000, -0.0006448100000000, 0.0003774000000000 ] - [ -0.0001363900000000, 0.0001479900000000, 0.0008281700000000 ] - [ 0.0001853000000000, 0.0002618500000000, 0.0003481600000000 ]- atom: 51 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ -0.0001417800000000, -0.0007831300000000, -0.0008716400000000 ] - [ -0.0011592600000000, 0.0002686900000000, -0.0016547500000000 ] - [ -0.0006391600000000, -0.0011433300000000, -0.0001743400000000 ] - [ -0.0003448400000000, 0.0003366900000000, 0.0002214500000000 ] - [ 0.0001129900000000, 0.0003291200000000, 0.0000036500000000 ] - [ -0.0001869300000000, -0.0004703900000000, -0.0005018900000000 ] - [ 0.0039515600000000, 0.0011370000000000, 0.0005341800000000 ] - [ -0.0010919800000000, -0.0000157300000000, -0.0001152700000000 ] - [ 0.0017597900000000, 0.0011461300000000, -0.0001633000000000 ] - [ -0.0008261100000000, -0.0001619900000000, -0.0005621700000000 ] - [ 0.0015277700000000, -0.0000505100000000, 0.0006862200000000 ] - [ -0.0007835400000000, -0.0002221700000000, -0.0004947900000000 ] - [ 0.0002775900000000, -0.0003916900000000, 0.0003429000000000 ] - [ -0.0000965000000000, 0.0002164900000000, -0.0003182700000000 ] - [ 0.0023243600000000, -0.0000266000000000, 0.0016980600000000 ] - [ -0.0009570200000000, 0.0000214700000000, -0.0006136700000000 ] - [ 0.0094011800000000, -0.0019864800000000, -0.0020055200000000 ] - [ -0.0030921800000000, -0.0002797100000000, -0.0009589600000000 ] - [ -0.0001133800000000, -0.0005667900000000, -0.0001692700000000 ] - [ -0.0010006000000000, 0.0015518600000000, -0.0007885100000000 ] - [ 0.0015859600000000, -0.0001322800000000, 0.0005512000000000 ] - [ -0.0013466000000000, -0.0003804100000000, -0.0005559400000000 ] - [ 0.0015879100000000, -0.0008712700000000, 0.0004176100000000 ] - [ -0.0017066400000000, 0.0007086100000000, -0.0004693400000000 ] - [ -0.0032059600000000, 0.0035600000000000, 0.0139692800000000 ] - [ -0.0055237000000000, 0.0012709400000000, -0.0015329400000000 ] - [ 0.0540308600000000, -0.0156026000000000, -0.0121870000000000 ] - [ -0.0028319400000000, -0.0002919300000000, -0.0012239500000000 ] - [ 0.0013530900000000, 0.0000559800000000, 0.0014460700000000 ] - [ -0.0018142300000000, -0.0004624400000000, -0.0006707600000000 ] - [ 0.0015936100000000, -0.0002527000000000, 0.0005857400000000 ] - [ -0.0015124700000000, -0.0000835600000000, -0.0009196900000000 ] - [ -0.0020698600000000, 0.0038375600000000, -0.0014327300000000 ] - [ -0.0002333100000000, -0.0018613000000000, 0.0008490600000000 ] - [ -0.0038733500000000, 0.0039813600000000, -0.0009821200000000 ] - [ -0.0083176400000000, -0.0042272900000000, -0.0027727800000000 ] - [ 0.0104272100000000, 0.0034461400000000, 0.0051380100000000 ] - [ -0.0034087200000000, -0.0003084600000000, -0.0030642800000000 ] - [ 0.1564186900000000, 0.0189504600000000, 0.0851891700000000 ] - [ -0.0035071800000000, -0.0001197600000000, -0.0004174300000000 ] - [ -0.0000435500000000, 0.0006440300000000, -0.0001092700000000 ] - [ 0.0024655600000000, -0.0014295700000000, 0.0005704400000000 ] - [ -0.0109284300000000, -0.0001175100000000, 0.0095574200000000 ] - [ 0.0015217200000000, 0.0001868400000000, 0.0013251800000000 ] - [ -0.0004814700000000, -0.0003862800000000, -0.0004706000000000 ] - [ 0.0004006900000000, 0.0001328500000000, 0.0002514900000000 ] - [ -0.0007286900000000, 0.0002408300000000, -0.0001510800000000 ] - [ 0.0008033900000000, -0.0001961300000000, -0.0001330600000000 ] - [ -0.0004905400000000, 0.0002232200000000, -0.0004774400000000 ] - [ 0.0008574900000000, 0.0002727800000000, -0.0000728100000000 ] - [ -0.2668453700000000, -0.0124140300000000, -0.0967230000000000 ] - [ 0.0020343400000000, 0.0001869700000000, 0.0011320200000000 ] - [ -0.0018301900000000, -0.0006646000000000, -0.0013408900000000 ] - [ 0.0012551500000000, 0.0000606600000000, 0.0012928000000000 ] - [ 0.0111302400000000, -0.0208645600000000, -0.0202023300000000 ] - [ 0.0032323800000000, 0.0006868700000000, 0.0004596800000000 ] - [ 0.0021613500000000, -0.0018484200000000, 0.0138006300000000 ] - [ 0.0010736000000000, -0.0004179100000000, 0.0006663700000000 ] - [ 0.0018360100000000, 0.0210182600000000, 0.0101235000000000 ] - [ 0.0017915700000000, -0.0002296600000000, 0.0002580500000000 ] - [ -0.0015722400000000, 0.0001729900000000, -0.0034204900000000 ] - [ 0.0014450100000000, 0.0002111400000000, 0.0016280500000000 ] - [ -0.0006013300000000, 0.0001712100000000, -0.0007423500000000 ] - [ 0.0007526700000000, -0.0001164700000000, 0.0002150300000000 ] - [ -0.0051519300000000, 0.0019557200000000, 0.0036683700000000 ] - [ 0.0009303400000000, -0.0001471200000000, 0.0004577700000000 ] - [ 0.0008979000000000, -0.0011516200000000, 0.0009499900000000 ] - [ 0.0017197900000000, 0.0017584600000000, -0.0003933300000000 ] - [ -0.0004472900000000, 0.0004523500000000, -0.0007379000000000 ] - [ 0.0004911800000000, 0.0001754200000000, -0.0000793900000000 ] - [ -0.0014926300000000, 0.0006708300000000, -0.0002409100000000 ] - [ 0.0011807400000000, 0.0005507900000000, 0.0002630000000000 ] - [ 0.0006303500000000, -0.0017455200000000, 0.0003734000000000 ] - [ 0.0001547700000000, 0.0009556000000000, -0.0001262900000000 ] - [ -0.0004421800000000, -0.0005278300000000, -0.0003839400000000 ] - [ 0.0006656500000000, 0.0006478800000000, 0.0003512700000000 ] - [ 0.0034960700000000, -0.0037146000000000, -0.0015658600000000 ] - [ 0.0054846100000000, 0.0016975400000000, 0.0023281200000000 ] - [ -0.0011539200000000, 0.0001215200000000, -0.0013108900000000 ] - [ 0.0011424600000000, 0.0001186400000000, 0.0005344700000000 ] - [ 0.0415900900000000, 0.0058386000000000, 0.0035732400000000 ] - [ 0.0023689000000000, -0.0002552000000000, -0.0000031700000000 ] - [ 0.0000587100000000, -0.0016851000000000, 0.0004312500000000 ] - [ 0.0012818300000000, 0.0010779300000000, 0.0029115300000000 ] - [ 0.0013865200000000, -0.0030516500000000, -0.0000776400000000 ] - [ 0.0013084800000000, 0.0011568500000000, -0.0007353100000000 ] - [ -0.0005477400000000, -0.0013896100000000, 0.0001346300000000 ] - [ 0.0009530700000000, 0.0008350100000000, -0.0001015000000000 ] - [ -0.0009206400000000, 0.0000627900000000, -0.0007235600000000 ] - [ 0.0010655500000000, -0.0004199100000000, 0.0008091500000000 ] - [ -0.0050439700000000, 0.0008462900000000, -0.0064571000000000 ] - [ 0.0025862300000000, -0.0004835300000000, 0.0027019700000000 ]- atom: 51 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ -0.0001525400000000, 0.0007308000000000, 0.0009914800000000 ] - [ 0.0008562200000000, -0.0003178300000000, 0.0017791400000000 ] - [ 0.0003192600000000, 0.0010598400000000, 0.0007966800000000 ] - [ 0.0000271200000000, -0.0004115500000000, 0.0004030500000000 ] - [ -0.0001018800000000, -0.0003980200000000, -0.0003009200000000 ] - [ 0.0001953700000000, 0.0003974100000000, 0.0002014500000000 ] - [ -0.0043220700000000, -0.0010659200000000, 0.0001270400000000 ] - [ 0.0007077600000000, 0.0000606600000000, 0.0007694200000000 ] - [ -0.0013681000000000, -0.0011140000000000, -0.0004902300000000 ] - [ 0.0012031900000000, 0.0002067000000000, -0.0000939700000000 ] - [ -0.0015183300000000, -0.0000881100000000, -0.0008292300000000 ] - [ 0.0007804600000000, 0.0000870900000000, 0.0003524100000000 ] - [ 0.0000162100000000, 0.0003330200000000, -0.0004640900000000 ] - [ 0.0003896100000000, -0.0002725100000000, 0.0001951300000000 ] - [ -0.0023159100000000, -0.0001053200000000, -0.0015454200000000 ] - [ 0.0009535600000000, -0.0001536400000000, 0.0007557300000000 ] - [ -0.0101034500000000, 0.0021706400000000, 0.0026019700000000 ] - [ 0.0030651400000000, 0.0002140700000000, 0.0012486200000000 ] - [ 0.0004301900000000, 0.0004885300000000, -0.0004617200000000 ] - [ 0.0013181200000000, -0.0016241600000000, 0.0001621200000000 ] - [ -0.0016664800000000, -0.0003045200000000, -0.0006386200000000 ] - [ 0.0012557100000000, -0.0000550600000000, 0.0004629700000000 ] - [ -0.0019347700000000, 0.0008669100000000, -0.0005965100000000 ] - [ 0.0013445200000000, -0.0007047800000000, 0.0002853200000000 ] - [ 0.0034172500000000, -0.0038450600000000, -0.0137531400000000 ] - [ 0.0055992500000000, -0.0016980900000000, 0.0016198200000000 ] - [ -0.0541960000000000, 0.0156638500000000, 0.0122589700000000 ] - [ 0.0031821100000000, 0.0003002800000000, 0.0014027600000000 ] - [ -0.0021595000000000, -0.0004018900000000, -0.0013821300000000 ] - [ 0.0009943000000000, 0.0001218900000000, 0.0007230800000000 ] - [ -0.0018671700000000, -0.0000935700000000, -0.0006763000000000 ] - [ 0.0012246800000000, -0.0002593700000000, 0.0008235500000000 ] - [ 0.0017384800000000, -0.0028513400000000, 0.0016269400000000 ] - [ -0.0000976100000000, 0.0028282200000000, -0.0006504600000000 ] - [ 0.0042000900000000, -0.0029717200000000, 0.0007914800000000 ] - [ 0.0085142300000000, 0.0052322900000000, 0.0025831200000000 ] - [ -0.0094777000000000, -0.0037376200000000, -0.0052796500000000 ] - [ 0.0042122300000000, -0.0000191500000000, 0.0029954900000000 ] - [ -0.1509168900000000, -0.0174375000000000, -0.0790318700000000 ] - [ 0.0037815700000000, -0.0002123300000000, 0.0004972900000000 ] - [ 0.0015712400000000, -0.0016751100000000, 0.0004818300000000 ] - [ -0.0009286400000000, 0.0003885000000000, -0.0001953200000000 ] - [ 0.0105894700000000, 0.0006255400000000, -0.0088926000000000 ] - [ -0.0018721800000000, 0.0003072300000000, -0.0009435400000000 ] - [ 0.0004396500000000, 0.0000814600000000, 0.0001996300000000 ] - [ -0.0004382000000000, -0.0004375300000000, -0.0005214600000000 ] - [ 0.0010361500000000, -0.0003745500000000, -0.0003137600000000 ] - [ -0.0004890800000000, 0.0000581700000000, -0.0003317800000000 ] - [ 0.0008426200000000, 0.0002779100000000, 0.0000995600000000 ] - [ -0.0005020200000000, 0.0002266400000000, -0.0003030600000000 ] - [ 0.2609400600000000, 0.0096878700000000, 0.0898316300000000 ] - [ -0.0022872900000000, -0.0005725900000000, -0.0012648600000000 ] - [ 0.0014962600000000, 0.0010847400000000, 0.0012720800000000 ] - [ -0.0015662000000000, 0.0003718200000000, -0.0013723200000000 ] - [ -0.0110874200000000, 0.0217487600000000, 0.0199049500000000 ] - [ -0.0032076300000000, 0.0004857300000000, -0.0005617500000000 ] - [ -0.0021407400000000, 0.0014427000000000, -0.0133487700000000 ] - [ -0.0010265000000000, 0.0001053200000000, -0.0003855300000000 ] - [ -0.0031603900000000, -0.0220254300000000, -0.0104603100000000 ] - [ -0.0033200600000000, -0.0008128800000000, -0.0006325500000000 ] - [ 0.0014118900000000, 0.0001407400000000, 0.0041567100000000 ] - [ -0.0015688000000000, 0.0001038300000000, -0.0009201900000000 ] - [ 0.0008043100000000, -0.0000614900000000, 0.0002997300000000 ] - [ -0.0005435300000000, 0.0002232500000000, -0.0006548000000000 ] - [ 0.0049919100000000, -0.0017033900000000, -0.0030745900000000 ] - [ -0.0011311300000000, 0.0002500300000000, -0.0000132300000000 ] - [ -0.0006723000000000, 0.0013703500000000, -0.0001767300000000 ] - [ -0.0014688400000000, -0.0015283100000000, 0.0011569000000000 ] - [ 0.0005744900000000, -0.0001251000000000, 0.0000308000000000 ] - [ -0.0003601000000000, 0.0001455200000000, -0.0006230200000000 ] - [ 0.0014685700000000, 0.0005060800000000, 0.0003426500000000 ] - [ -0.0011930100000000, 0.0006263800000000, -0.0001577200000000 ] - [ -0.0008550200000000, 0.0019692300000000, -0.0011500400000000 ] - [ -0.0003801900000000, -0.0007270600000000, -0.0006462500000000 ] - [ 0.0007585700000000, 0.0009679700000000, 0.0004694500000000 ] - [ -0.0003445300000000, -0.0002079300000000, -0.0002611200000000 ] - [ -0.0039625200000000, 0.0034143900000000, 0.0016198600000000 ] - [ -0.0059705800000000, -0.0020037700000000, -0.0022809200000000 ] - [ 0.0014761400000000, -0.0000181800000000, 0.0008667100000000 ] - [ -0.0008084500000000, -0.0000190600000000, -0.0009698900000000 ] - [ -0.0406577600000000, -0.0057235500000000, -0.0031174800000000 ] - [ -0.0026794500000000, 0.0001121000000000, 0.0004697700000000 ] - [ -0.0009663600000000, 0.0013521500000000, 0.0006922900000000 ] - [ -0.0021600500000000, -0.0013965600000000, -0.0017696100000000 ] - [ -0.0004819200000000, 0.0027334300000000, -0.0010510300000000 ] - [ -0.0003933400000000, -0.0014677200000000, -0.0003933800000000 ] - [ 0.0010203400000000, 0.0011286700000000, -0.0002077800000000 ] - [ -0.0004745200000000, -0.0010898400000000, 0.0000290800000000 ] - [ 0.0011783900000000, -0.0004412300000000, 0.0008571800000000 ] - [ -0.0007993800000000, 0.0000377800000000, -0.0006686500000000 ] - [ 0.0046732700000000, -0.0007619700000000, 0.0068769700000000 ] - [ -0.0029034100000000, 0.0005798000000000, -0.0022544900000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005259600000000, 0.0023240700000000, -0.0016332600000000 ] - [ -0.0002348000000000, 0.0012219800000000, 0.0001021300000000 ] - [ -0.0021149800000000, -0.0019645200000000, -0.0004919300000000 ] - [ 0.0000911500000000, -0.0001496000000000, 0.0004238800000000 ] - [ 0.0000945800000000, -0.0007014700000000, -0.0001950000000000 ] - [ -0.0000927000000000, -0.0011337000000000, -0.0003358500000000 ] - [ -0.0004821300000000, -0.0001342400000000, 0.0033228800000000 ] - [ -0.0005037400000000, 0.0003291400000000, 0.0001120500000000 ] - [ 0.0012634300000000, -0.0023818600000000, 0.0000191800000000 ] - [ -0.0005092800000000, -0.0004091800000000, -0.0004031800000000 ] - [ 0.0018918300000000, -0.0021774300000000, -0.0011324300000000 ] - [ -0.0002865800000000, -0.0001681000000000, -0.0001317500000000 ] - [ 0.0001897600000000, -0.0012613900000000, 0.0001215000000000 ] - [ 0.0001130000000000, -0.0005454500000000, -0.0000866900000000 ] - [ 0.0003413300000000, -0.0008415300000000, 0.0012863400000000 ] - [ -0.0004483200000000, -0.0000001800000000, -0.0004614500000000 ] - [ -0.0016631600000000, 0.0035143000000000, 0.0016019000000000 ] - [ -0.0011712100000000, 0.0005920600000000, -0.0000112000000000 ] - [ -0.0000851500000000, -0.0001156800000000, -0.0004964700000000 ] - [ 0.0005733500000000, -0.0002743500000000, -0.0001485300000000 ] - [ 0.0001030500000000, -0.0027471700000000, 0.0003043500000000 ] - [ -0.0007281600000000, -0.0011166800000000, -0.0002489100000000 ] - [ -0.0004232400000000, -0.0020512000000000, 0.0002789000000000 ] - [ 0.0001465200000000, -0.0013666600000000, -0.0003045500000000 ] - [ 0.0072377800000000, 0.0163913600000000, 0.0061720300000000 ] - [ -0.0024515300000000, 0.0016927200000000, -0.0000710000000000 ] - [ -0.0118730000000000, 0.0522983400000000, 0.0099218700000000 ] - [ -0.0003765300000000, 0.0008252500000000, -0.0001502000000000 ] - [ -0.0001036200000000, -0.0036078000000000, 0.0010347000000000 ] - [ -0.0007939400000000, -0.0016621200000000, -0.0005218700000000 ] - [ 0.0004661600000000, -0.0029673100000000, 0.0001821700000000 ] - [ -0.0006040400000000, -0.0015056600000000, -0.0001722300000000 ] - [ 0.0015894500000000, -0.0028349800000000, 0.0028199500000000 ] - [ -0.0005740800000000, -0.0013575200000000, -0.0004379900000000 ] - [ 0.0018010200000000, 0.0014485400000000, 0.0001706300000000 ] - [ -0.0187280500000000, 0.0016785700000000, -0.0021476000000000 ] - [ 0.0047336300000000, 0.0066480400000000, -0.0028487400000000 ] - [ -0.0004443700000000, 0.0021764400000000, -0.0012841400000000 ] - [ 0.0107475200000000, 0.0637434300000000, 0.0222026500000000 ] - [ -0.0003627800000000, 0.0013077800000000, -0.0002207300000000 ] - [ 0.0008434800000000, 0.0004986400000000, 0.0002037800000000 ] - [ -0.0006476100000000, 0.0004454300000000, -0.0002738400000000 ] - [ -0.0021695000000000, -0.0086683500000000, 0.0099498500000000 ] - [ -0.0000891600000000, -0.0005519900000000, 0.0006289600000000 ] - [ -0.0002156300000000, 0.0011467000000000, 0.0001692500000000 ] - [ 0.0003099400000000, 0.0006462000000000, 0.0001536200000000 ] - [ -0.0001554000000000, 0.0016498300000000, -0.0004754500000000 ] - [ 0.0003387100000000, 0.0004302800000000, -0.0003375000000000 ] - [ 0.0000661900000000, 0.0013286700000000, -0.0000200900000000 ] - [ 0.0001476800000000, 0.0010404000000000, 0.0002242200000000 ] - [ -0.0112549400000000, -0.1585091400000000, -0.0965591300000000 ] - [ 0.0002444900000000, -0.0007715700000000, -0.0000777200000000 ] - [ -0.0012164100000000, -0.0026296700000000, 0.0012318600000000 ] - [ 0.0010662600000000, -0.0011082000000000, 0.0008602300000000 ] - [ -0.0293963800000000, 0.0107729200000000, 0.0184730000000000 ] - [ 0.0010421800000000, 0.0000067200000000, 0.0000247600000000 ] - [ -0.0099836400000000, -0.0094928000000000, -0.0131345400000000 ] - [ 0.0003444300000000, -0.0009915000000000, 0.0006564500000000 ] - [ 0.0215265000000000, 0.0339426300000000, 0.0187570300000000 ] - [ -0.0010128600000000, -0.0008827100000000, -0.0001798300000000 ] - [ -0.0006422500000000, -0.0019327900000000, 0.0003918800000000 ] - [ 0.0001265300000000, -0.0006641100000000, 0.0004820400000000 ] - [ 0.0000434600000000, 0.0015820200000000, -0.0004585300000000 ] - [ 0.0004057300000000, 0.0007800800000000, -0.0002850100000000 ] - [ 0.0198568000000000, 0.0107848000000000, 0.0276191100000000 ] - [ 0.0000900700000000, -0.0007023700000000, 0.0000461300000000 ] - [ -0.0006455400000000, 0.0002989700000000, 0.0001562000000000 ] - [ 0.0033358700000000, 0.0014942200000000, -0.0007913800000000 ] - [ 0.0001042300000000, 0.0024874700000000, -0.0008981200000000 ] - [ 0.0001622800000000, 0.0007564600000000, -0.0004382700000000 ] - [ -0.0001941500000000, 0.0026109800000000, -0.0003469800000000 ] - [ 0.0001373600000000, 0.0010917600000000, 0.0001523400000000 ] - [ -0.0011713400000000, 0.0009987000000000, -0.0015647300000000 ] - [ 0.0001910900000000, 0.0007182800000000, 0.0009460700000000 ] - [ 0.0001179000000000, 0.0020443300000000, -0.0001770500000000 ] - [ 0.0005087800000000, 0.0012129800000000, 0.0004091200000000 ] - [ -0.0009579400000000, -0.0031740000000000, -0.0014077000000000 ] - [ 0.0039705900000000, -0.0032723500000000, 0.0003326700000000 ] - [ -0.0002882000000000, 0.0015116000000000, -0.0005006000000000 ] - [ 0.0004641100000000, 0.0005639100000000, 0.0002039800000000 ] - [ 0.0164917200000000, -0.0119135100000000, -0.0024784100000000 ] - [ 0.0000776600000000, -0.0010432700000000, -0.0001574800000000 ] - [ -0.0011034000000000, -0.0001944500000000, 0.0002542600000000 ] - [ 0.0036170600000000, 0.0007330600000000, 0.0038317600000000 ] - [ -0.0018578500000000, 0.0023463300000000, -0.0019326400000000 ] - [ 0.0009735000000000, 0.0003089400000000, -0.0003140000000000 ] - [ 0.0006955900000000, 0.0016479600000000, -0.0004677800000000 ] - [ 0.0008888600000000, 0.0010690300000000, 0.0000471700000000 ] - [ -0.0001178600000000, 0.0011209500000000, -0.0006186900000000 ] - [ 0.0003571200000000, 0.0005626400000000, -0.0000031400000000 ] - [ -0.0020242900000000, -0.0039213300000000, 0.0002788300000000 ] - [ 0.0007959900000000, -0.0009260100000000, 0.0012726200000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002303700000000, -0.0023664900000000, 0.0017742400000000 ] - [ -0.0000521300000000, -0.0012829700000000, 0.0000273300000000 ] - [ 0.0017996000000000, 0.0018959000000000, 0.0011220500000000 ] - [ -0.0004068300000000, 0.0000724000000000, 0.0002032300000000 ] - [ -0.0000867300000000, 0.0006308900000000, -0.0001040800000000 ] - [ 0.0001034600000000, 0.0010709400000000, 0.0000409100000000 ] - [ 0.0001377100000000, 0.0003062300000000, -0.0027575400000000 ] - [ 0.0001257100000000, -0.0002813000000000, 0.0005454000000000 ] - [ -0.0008925900000000, 0.0024288700000000, -0.0006776000000000 ] - [ 0.0008981200000000, 0.0004559500000000, -0.0002512300000000 ] - [ -0.0018978100000000, 0.0020432400000000, 0.0009847900000000 ] - [ 0.0002865700000000, 0.0000362000000000, -0.0000131700000000 ] - [ 0.0001028700000000, 0.0012097000000000, -0.0002477600000000 ] - [ 0.0001795400000000, 0.0004874700000000, -0.0000359300000000 ] - [ -0.0003586500000000, 0.0006938400000000, -0.0011464600000000 ] - [ 0.0004588900000000, -0.0001370200000000, 0.0006169400000000 ] - [ 0.0016241100000000, -0.0036203500000000, -0.0013072000000000 ] - [ 0.0011803800000000, -0.0006585000000000, 0.0003112400000000 ] - [ 0.0004018000000000, 0.0000382100000000, -0.0001298200000000 ] - [ -0.0002407400000000, 0.0001758600000000, -0.0004770000000000 ] - [ -0.0001894300000000, 0.0023163300000000, -0.0003988700000000 ] - [ 0.0006482700000000, 0.0006860400000000, 0.0001606200000000 ] - [ 0.0000531600000000, 0.0020592800000000, -0.0004643900000000 ] - [ -0.0004971500000000, 0.0013711000000000, 0.0001243400000000 ] - [ -0.0071736200000000, -0.0169114200000000, -0.0061786600000000 ] - [ 0.0025641900000000, -0.0021356300000000, 0.0001683500000000 ] - [ 0.0128408300000000, -0.0546481300000000, -0.0128524600000000 ] - [ 0.0007483800000000, -0.0008226700000000, 0.0003427700000000 ] - [ -0.0007221100000000, 0.0032668300000000, -0.0009894700000000 ] - [ -0.0000116500000000, 0.0013312500000000, 0.0005831700000000 ] - [ -0.0007577800000000, 0.0026315300000000, -0.0002753600000000 ] - [ 0.0003294000000000, 0.0011660700000000, 0.0000836200000000 ] - [ -0.0019059900000000, 0.0038165300000000, -0.0026255500000000 ] - [ 0.0002397300000000, 0.0023592900000000, 0.0006170200000000 ] - [ -0.0014676600000000, -0.0004648500000000, -0.0003477600000000 ] - [ 0.0191652100000000, -0.0007091100000000, 0.0019484600000000 ] - [ -0.0039572800000000, -0.0069675300000000, 0.0028058700000000 ] - [ 0.0012828300000000, -0.0025038400000000, 0.0012464800000000 ] - [ -0.0107840600000000, -0.0642232900000000, -0.0225278000000000 ] - [ 0.0006595700000000, -0.0016471200000000, 0.0003191600000000 ] - [ 0.0006984500000000, -0.0015424600000000, 0.0001738000000000 ] - [ 0.0021726300000000, -0.0014802500000000, 0.0006463900000000 ] - [ 0.0018603000000000, 0.0092601600000000, -0.0095527000000000 ] - [ -0.0002758500000000, 0.0010490100000000, -0.0002611700000000 ] - [ 0.0001766900000000, -0.0014525400000000, -0.0004395400000000 ] - [ -0.0003519200000000, -0.0009547500000000, -0.0004269000000000 ] - [ 0.0004703800000000, -0.0017932300000000, 0.0000096500000000 ] - [ -0.0000306000000000, -0.0005699700000000, -0.0001269800000000 ] - [ 0.0002933000000000, -0.0008288600000000, -0.0003560400000000 ] - [ 0.0002014800000000, -0.0005442900000000, -0.0006052200000000 ] - [ 0.0105748900000000, 0.1610465000000000, 0.1003650900000000 ] - [ -0.0005134900000000, 0.0003865100000000, -0.0000686800000000 ] - [ 0.0009081100000000, 0.0030676300000000, -0.0013267700000000 ] - [ -0.0013917000000000, 0.0015408000000000, -0.0009545700000000 ] - [ 0.0297928000000000, -0.0096527500000000, -0.0188138000000000 ] - [ -0.0010401100000000, 0.0011699800000000, -0.0001318300000000 ] - [ 0.0099093100000000, 0.0092595400000000, 0.0133742200000000 ] - [ -0.0003076200000000, 0.0006888900000000, -0.0003904900000000 ] - [ -0.0234312000000000, -0.0356580500000000, -0.0195585300000000 ] - [ -0.0005298900000000, -0.0001555000000000, -0.0001995700000000 ] - [ 0.0005352200000000, 0.0022521400000000, 0.0002997500000000 ] - [ -0.0002691000000000, 0.0009830000000000, 0.0002136300000000 ] - [ 0.0001661800000000, -0.0014789400000000, 0.0000197000000000 ] - [ -0.0002049700000000, -0.0006742400000000, -0.0001580700000000 ] - [ -0.0198325100000000, -0.0104804500000000, -0.0267046100000000 ] - [ -0.0003004900000000, 0.0008061500000000, 0.0003918000000000 ] - [ 0.0008742500000000, -0.0000684600000000, 0.0006117300000000 ] - [ -0.0031298000000000, -0.0012749700000000, 0.0015747600000000 ] - [ 0.0000275900000000, -0.0021656600000000, 0.0001946400000000 ] - [ -0.0000364400000000, -0.0004372400000000, -0.0002684100000000 ] - [ 0.0001816600000000, -0.0014333000000000, 0.0004515800000000 ] - [ -0.0001611700000000, 0.0000814700000000, -0.0000497600000000 ] - [ 0.0009351100000000, -0.0007680200000000, 0.0007903600000000 ] - [ -0.0004176300000000, -0.0004971100000000, -0.0017153600000000 ] - [ 0.0002059100000000, -0.0015996800000000, 0.0002691600000000 ] - [ -0.0001936200000000, -0.0007815300000000, -0.0003254700000000 ] - [ 0.0004936900000000, 0.0029326300000000, 0.0014909200000000 ] - [ -0.0044769100000000, 0.0030235400000000, -0.0002633700000000 ] - [ 0.0006222800000000, -0.0014138000000000, 0.0000668800000000 ] - [ -0.0001404300000000, -0.0004676800000000, -0.0006494500000000 ] - [ -0.0168699900000000, 0.0116737600000000, 0.0029402700000000 ] - [ -0.0003982600000000, 0.0009038100000000, 0.0006228400000000 ] - [ 0.0001999600000000, -0.0001203600000000, 0.0008650600000000 ] - [ -0.0045648100000000, -0.0010654300000000, -0.0027434400000000 ] - [ 0.0027504600000000, -0.0026557100000000, 0.0008020800000000 ] - [ -0.0000700900000000, -0.0006402700000000, -0.0008099600000000 ] - [ -0.0002230500000000, -0.0019087200000000, 0.0003952900000000 ] - [ -0.0004173800000000, -0.0013355000000000, -0.0001178400000000 ] - [ 0.0003854500000000, -0.0015053400000000, 0.0007612800000000 ] - [ -0.0001019400000000, -0.0009459300000000, 0.0001388800000000 ] - [ 0.0017239100000000, 0.0040290900000000, 0.0001765700000000 ] - [ -0.0011375500000000, 0.0010266700000000, -0.0008456900000000 ]- atom: 51 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ 0.0004337600000000, 0.0003560300000000, -0.0034242800000000 ] - [ -0.0019454000000000, 0.0007580800000000, -0.0004627000000000 ] - [ -0.0019287600000000, -0.0017496800000000, -0.0002593300000000 ] - [ -0.0001730600000000, 0.0002347100000000, 0.0000235400000000 ] - [ 0.0001465200000000, -0.0002662800000000, -0.0003843800000000 ] - [ -0.0001298900000000, -0.0004188200000000, -0.0002490000000000 ] - [ -0.0004955400000000, 0.0017285800000000, 0.0027680500000000 ] - [ -0.0004330700000000, 0.0000475800000000, -0.0000181600000000 ] - [ 0.0005230800000000, -0.0018176900000000, 0.0004690100000000 ] - [ -0.0001190000000000, -0.0001262400000000, -0.0004455500000000 ] - [ 0.0020378300000000, -0.0016807900000000, -0.0009590300000000 ] - [ -0.0003746500000000, -0.0001307100000000, -0.0000690700000000 ] - [ 0.0002399800000000, -0.0004476100000000, 0.0000237700000000 ] - [ 0.0000541500000000, -0.0002450400000000, 0.0000411900000000 ] - [ 0.0015246000000000, 0.0019304900000000, -0.0012104900000000 ] - [ -0.0004764600000000, -0.0000358500000000, -0.0001123900000000 ] - [ -0.0066221700000000, 0.0027731700000000, 0.0041429500000000 ] - [ -0.0000054500000000, 0.0001858200000000, 0.0009693600000000 ] - [ 0.0001864300000000, -0.0004872000000000, -0.0010293800000000 ] - [ -0.0010782100000000, 0.0015246600000000, -0.0000381600000000 ] - [ -0.0000002600000000, -0.0007583500000000, 0.0005519500000000 ] - [ -0.0003710500000000, -0.0005433000000000, -0.0003415200000000 ] - [ 0.0001527200000000, -0.0004494900000000, 0.0005175100000000 ] - [ -0.0003618200000000, -0.0002635700000000, -0.0003251100000000 ] - [ 0.0097106200000000, 0.0068406100000000, -0.0004994700000000 ] - [ -0.0011896200000000, 0.0005880200000000, -0.0003153000000000 ] - [ -0.0290752500000000, 0.0147923500000000, 0.0453413100000000 ] - [ 0.0001112300000000, 0.0007754100000000, -0.0011951900000000 ] - [ -0.0001042200000000, -0.0014650800000000, 0.0018470300000000 ] - [ -0.0007093300000000, -0.0006908100000000, -0.0003567400000000 ] - [ 0.0002942100000000, -0.0013009000000000, -0.0000971200000000 ] - [ -0.0005388900000000, -0.0005803500000000, -0.0005201000000000 ] - [ -0.0006643300000000, 0.0004385300000000, 0.0031283700000000 ] - [ 0.0007001300000000, -0.0003928000000000, -0.0008403300000000 ] - [ 0.0027205300000000, -0.0015494100000000, -0.0010624600000000 ] - [ -0.0069878500000000, 0.0006815500000000, -0.0002877600000000 ] - [ 0.0161894600000000, 0.0051565200000000, -0.0155206200000000 ] - [ -0.0017250800000000, 0.0004174700000000, -0.0015781800000000 ] - [ -0.0002899400000000, 0.0145677300000000, 0.0725302100000000 ] - [ -0.0001102100000000, 0.0007109500000000, -0.0011567700000000 ] - [ 0.0002199800000000, -0.0003003500000000, 0.0001759700000000 ] - [ 0.0008020700000000, -0.0004713100000000, -0.0002257700000000 ] - [ -0.0032636200000000, 0.0045860700000000, 0.0503738400000000 ] - [ 0.0005108300000000, -0.0001607700000000, 0.0015218100000000 ] - [ -0.0002448200000000, 0.0002682500000000, 0.0000541300000000 ] - [ 0.0002800100000000, 0.0002538900000000, 0.0000712200000000 ] - [ 0.0000087400000000, 0.0005802500000000, -0.0002977600000000 ] - [ 0.0002603300000000, 0.0000590700000000, -0.0000978900000000 ] - [ 0.0001785900000000, 0.0004822900000000, -0.0007876200000000 ] - [ 0.0002453900000000, 0.0005106700000000, 0.0000270300000000 ] - [ 0.0271011700000000, -0.0829608700000000, -0.1864900600000000 ] - [ 0.0000339700000000, -0.0003568400000000, 0.0005232600000000 ] - [ -0.0023228300000000, -0.0024920400000000, 0.0037648900000000 ] - [ 0.0011637800000000, -0.0002097600000000, 0.0004365500000000 ] - [ -0.0257775500000000, 0.0220724500000000, 0.0118036500000000 ] - [ 0.0006172500000000, 0.0002440300000000, 0.0003035800000000 ] - [ 0.0201513900000000, -0.0066477400000000, 0.0091094000000000 ] - [ 0.0005939100000000, -0.0005957300000000, 0.0011228600000000 ] - [ 0.0088586700000000, 0.0102610500000000, -0.0026103900000000 ] - [ -0.0014255600000000, -0.0005513600000000, 0.0000556300000000 ] - [ -0.0064413500000000, 0.0008636400000000, 0.0089052500000000 ] - [ 0.0010249600000000, 0.0000102300000000, 0.0005066800000000 ] - [ -0.0001472600000000, 0.0006831600000000, -0.0000584700000000 ] - [ 0.0004031600000000, 0.0001611200000000, -0.0001424600000000 ] - [ 0.0191625600000000, 0.0165634800000000, 0.0156602900000000 ] - [ 0.0001904200000000, -0.0002537300000000, 0.0004906800000000 ] - [ -0.0006317900000000, 0.0007337100000000, 0.0000173400000000 ] - [ 0.0015669700000000, 0.0007006500000000, -0.0003270200000000 ] - [ -0.0000736700000000, 0.0016477300000000, -0.0008246300000000 ] - [ 0.0001975900000000, 0.0002985800000000, -0.0002894000000000 ] - [ -0.0002530200000000, 0.0007073500000000, -0.0004131400000000 ] - [ 0.0002318800000000, 0.0007662300000000, 0.0001954600000000 ] - [ 0.0007285000000000, -0.0009557900000000, -0.0012589500000000 ] - [ -0.0002876400000000, 0.0006754600000000, 0.0010816000000000 ] - [ 0.0001609100000000, 0.0003675300000000, -0.0004801300000000 ] - [ 0.0003627500000000, 0.0006255400000000, 0.0002381100000000 ] - [ -0.0035445300000000, 0.0003316700000000, 0.0001944000000000 ] - [ 0.0017579000000000, -0.0014644300000000, -0.0006167800000000 ] - [ -0.0003100700000000, 0.0004436800000000, -0.0010395100000000 ] - [ 0.0003908900000000, 0.0002618400000000, 0.0000936700000000 ] - [ -0.0192814300000000, -0.0061379100000000, -0.0148442700000000 ] - [ -0.0004263600000000, -0.0004451700000000, 0.0003955900000000 ] - [ -0.0013702600000000, 0.0000590300000000, 0.0019360200000000 ] - [ 0.0009795900000000, 0.0002662000000000, 0.0012705400000000 ] - [ -0.0005018300000000, 0.0010665100000000, -0.0020664900000000 ] - [ 0.0004345800000000, -0.0002483500000000, -0.0003222900000000 ] - [ 0.0003979700000000, 0.0001478100000000, -0.0005401300000000 ] - [ 0.0003701200000000, 0.0003764900000000, 0.0001465000000000 ] - [ -0.0001380900000000, 0.0003249200000000, -0.0001917200000000 ] - [ 0.0004028300000000, -0.0000297700000000, 0.0002801900000000 ] - [ -0.0034073800000000, -0.0019078700000000, 0.0023596500000000 ] - [ 0.0009436900000000, -0.0003191400000000, 0.0012134600000000 ]- atom: 51 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ -0.0007294700000000, -0.0004126500000000, 0.0035548300000000 ] - [ 0.0016648100000000, -0.0008197900000000, 0.0005907600000000 ] - [ 0.0016163500000000, 0.0016823600000000, 0.0008875900000000 ] - [ -0.0001415000000000, -0.0003156000000000, 0.0006034300000000 ] - [ -0.0001382400000000, 0.0001984800000000, 0.0000856500000000 ] - [ 0.0001405200000000, 0.0003521300000000, -0.0000482900000000 ] - [ 0.0001189900000000, -0.0016250400000000, -0.0021704500000000 ] - [ 0.0000553200000000, -0.0000016200000000, 0.0006753000000000 ] - [ -0.0001441400000000, 0.0018645500000000, -0.0011256800000000 ] - [ 0.0005043100000000, 0.0001734200000000, -0.0002088400000000 ] - [ -0.0020480200000000, 0.0015458500000000, 0.0008143100000000 ] - [ 0.0003757500000000, -0.0000029800000000, -0.0000737000000000 ] - [ 0.0000532500000000, 0.0003945600000000, -0.0001473800000000 ] - [ 0.0002377600000000, 0.0001899800000000, -0.0001643600000000 ] - [ -0.0015347200000000, -0.0020590800000000, 0.0013523800000000 ] - [ 0.0004823600000000, -0.0000982300000000, 0.0002609400000000 ] - [ 0.0062554400000000, -0.0027274000000000, -0.0037925200000000 ] - [ 0.0000149700000000, -0.0002551800000000, -0.0006653500000000 ] - [ 0.0001348800000000, 0.0004193100000000, 0.0004075400000000 ] - [ 0.0014012600000000, -0.0016085800000000, -0.0005884100000000 ] - [ -0.0000872200000000, 0.0003297900000000, -0.0006446200000000 ] - [ 0.0002907300000000, 0.0001138900000000, 0.0002519000000000 ] - [ -0.0005166200000000, 0.0004619500000000, -0.0007019000000000 ] - [ 0.0000084400000000, 0.0002679400000000, 0.0001444200000000 ] - [ -0.0096278300000000, -0.0073569400000000, 0.0004646600000000 ] - [ 0.0012894600000000, -0.0010231400000000, 0.0004132900000000 ] - [ 0.0298879300000000, -0.0180544700000000, -0.0480637500000000 ] - [ 0.0002560400000000, -0.0007709100000000, 0.0013832100000000 ] - [ -0.0007145900000000, 0.0011331300000000, -0.0017940400000000 ] - [ -0.0000999100000000, 0.0003582000000000, 0.0004172200000000 ] - [ -0.0005790000000000, 0.0009692800000000, -0.0000018200000000 ] - [ 0.0002609200000000, 0.0002442100000000, 0.0004279000000000 ] - [ 0.0003406300000000, 0.0005451200000000, -0.0029462600000000 ] - [ -0.0010309000000000, 0.0013947800000000, 0.0010233300000000 ] - [ -0.0023923300000000, 0.0025160300000000, 0.0008807900000000 ] - [ 0.0073198100000000, 0.0003246500000000, 0.0001133300000000 ] - [ -0.0154783700000000, -0.0055333200000000, 0.0154602200000000 ] - [ 0.0025532100000000, -0.0007572500000000, 0.0015305900000000 ] - [ 0.0008201400000000, -0.0149648200000000, -0.0724263900000000 ] - [ 0.0004072400000000, -0.0010554000000000, 0.0012607600000000 ] - [ 0.0013170800000000, -0.0007440000000000, 0.0002015600000000 ] - [ 0.0007258100000000, -0.0005636900000000, 0.0006011900000000 ] - [ 0.0027626500000000, -0.0042917200000000, -0.0509033100000000 ] - [ -0.0008708700000000, 0.0006582200000000, -0.0011473300000000 ] - [ 0.0002044900000000, -0.0005784900000000, -0.0003261100000000 ] - [ -0.0003219800000000, -0.0005664900000000, -0.0003462400000000 ] - [ 0.0003030700000000, -0.0007231500000000, -0.0001636600000000 ] - [ 0.0000492100000000, -0.0002000900000000, -0.0003648900000000 ] - [ 0.0001779100000000, 0.0000119400000000, 0.0004072900000000 ] - [ 0.0001045100000000, -0.0000159900000000, -0.0004090100000000 ] - [ -0.0281926500000000, 0.0861343600000000, 0.1899270100000000 ] - [ -0.0003025600000000, -0.0000278400000000, -0.0006710800000000 ] - [ 0.0020169200000000, 0.0029553300000000, -0.0038567100000000 ] - [ -0.0014888500000000, 0.0006500300000000, -0.0005302800000000 ] - [ 0.0260826700000000, -0.0212695100000000, -0.0119232500000000 ] - [ -0.0006092900000000, 0.0009323600000000, -0.0004116800000000 ] - [ -0.0198912300000000, 0.0062234100000000, -0.0088109300000000 ] - [ -0.0005613800000000, 0.0002894000000000, -0.0008595100000000 ] - [ -0.0103849800000000, -0.0112726100000000, 0.0023376100000000 ] - [ -0.0001132400000000, -0.0004837500000000, -0.0004344500000000 ] - [ 0.0063196100000000, -0.0005662100000000, -0.0081818800000000 ] - [ -0.0011571600000000, 0.0003090000000000, 0.0001924300000000 ] - [ 0.0003548200000000, -0.0005810300000000, -0.0003804600000000 ] - [ -0.0001984900000000, -0.0000547200000000, -0.0002989700000000 ] - [ -0.0191367400000000, -0.0161748500000000, -0.0151791600000000 ] - [ -0.0004018400000000, 0.0003635300000000, -0.0000529600000000 ] - [ 0.0008649400000000, -0.0005063600000000, 0.0007532100000000 ] - [ -0.0013469500000000, -0.0004811400000000, 0.0010984200000000 ] - [ 0.0002028800000000, -0.0013325200000000, 0.0001216600000000 ] - [ -0.0000713900000000, 0.0000185600000000, -0.0004157000000000 ] - [ 0.0002389200000000, 0.0004656600000000, 0.0005195800000000 ] - [ -0.0002531500000000, 0.0004085400000000, -0.0000915900000000 ] - [ -0.0009599500000000, 0.0011870000000000, 0.0004889000000000 ] - [ 0.0000595300000000, -0.0004565400000000, -0.0018574900000000 ] - [ 0.0001600100000000, 0.0000699500000000, 0.0005696600000000 ] - [ -0.0000465500000000, -0.0001910100000000, -0.0001525700000000 ] - [ 0.0030553600000000, -0.0005551400000000, -0.0001046900000000 ] - [ -0.0022405000000000, 0.0012003100000000, 0.0006906200000000 ] - [ 0.0006398300000000, -0.0003475400000000, 0.0005997500000000 ] - [ -0.0000656300000000, -0.0001664800000000, -0.0005389700000000 ] - [ 0.0189107100000000, 0.0060630800000000, 0.0154236800000000 ] - [ 0.0001072700000000, 0.0003045000000000, 0.0000642700000000 ] - [ 0.0004670400000000, -0.0003749100000000, -0.0008103300000000 ] - [ -0.0018838200000000, -0.0005928400000000, -0.0001436700000000 ] - [ 0.0014102300000000, -0.0013863400000000, 0.0009376000000000 ] - [ 0.0004681900000000, -0.0000822200000000, -0.0008035300000000 ] - [ 0.0000756600000000, -0.0004078800000000, 0.0004686900000000 ] - [ 0.0001014200000000, -0.0006447100000000, -0.0002173900000000 ] - [ 0.0004024100000000, -0.0007128800000000, 0.0003358400000000 ] - [ -0.0001452600000000, -0.0003546800000000, -0.0001416700000000 ] - [ 0.0031128500000000, 0.0020059800000000, -0.0018699000000000 ] - [ -0.0012791800000000, 0.0004189800000000, -0.0007801800000000 ]- atom: 53 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ -0.0027071900000000, 0.0002247400000000, -0.0002021500000000 ] - [ -0.0044267500000000, -0.0019330400000000, 0.0019110500000000 ] - [ -0.0008882000000000, -0.0004553600000000, 0.0001100200000000 ] - [ 0.0032808800000000, -0.0001781100000000, 0.0004740100000000 ] - [ -0.0001316300000000, 0.0000480500000000, -0.0001938900000000 ] - [ 0.0000549800000000, 0.0001800900000000, -0.0001238800000000 ] - [ 0.0036110500000000, -0.0002450400000000, 0.0017318800000000 ] - [ -0.0009149500000000, 0.0001860200000000, -0.0002442000000000 ] - [ 0.0005005400000000, 0.0003463100000000, -0.0003066400000000 ] - [ 0.0000100200000000, -0.0000193700000000, -0.0004369400000000 ] - [ 0.0021156500000000, -0.0018005600000000, 0.0009960700000000 ] - [ -0.0009711600000000, 0.0003322600000000, -0.0003055500000000 ] - [ 0.0004180100000000, 0.0001845300000000, 0.0002139200000000 ] - [ -0.0001365900000000, 0.0000667200000000, -0.0002676900000000 ] - [ -0.0003740800000000, 0.0008915400000000, 0.0004466300000000 ] - [ -0.0004616700000000, -0.0004206200000000, 0.0000220500000000 ] - [ 0.0035261000000000, -0.0009640700000000, 0.0007300700000000 ] - [ -0.0011680100000000, -0.0001729300000000, -0.0004766600000000 ] - [ 0.0015240100000000, -0.0001141000000000, -0.0001211600000000 ] - [ -0.0003244100000000, 0.0001816800000000, -0.0005668700000000 ] - [ 0.0015016000000000, 0.0004633700000000, 0.0004624000000000 ] - [ -0.0012008400000000, -0.0002641700000000, -0.0004671300000000 ] - [ 0.0012084800000000, -0.0007979100000000, -0.0001181900000000 ] - [ -0.0011501600000000, 0.0009444600000000, -0.0004131200000000 ] - [ 0.0003817100000000, 0.0067966700000000, -0.0114463200000000 ] - [ 0.0001544200000000, -0.0015808300000000, -0.0012326900000000 ] - [ 0.0051647800000000, -0.0015767500000000, 0.0082564500000000 ] - [ -0.0012914900000000, -0.0012630800000000, -0.0011594200000000 ] - [ 0.0001644800000000, -0.0004330800000000, 0.0009881600000000 ] - [ -0.0008949400000000, 0.0008273400000000, -0.0008670500000000 ] - [ 0.0010278100000000, 0.0006781300000000, 0.0001121000000000 ] - [ -0.0010034900000000, -0.0000165700000000, -0.0004850200000000 ] - [ -0.0013345900000000, 0.0037900500000000, 0.0034917700000000 ] - [ -0.0015732400000000, -0.0006475100000000, -0.0014072400000000 ] - [ -0.0024686700000000, 0.0034151600000000, -0.0005354200000000 ] - [ 0.0002835800000000, -0.0005960000000000, 0.0008182500000000 ] - [ 0.0773297700000000, -0.0702461300000000, 0.0274520300000000 ] - [ -0.0016981600000000, -0.0001934800000000, -0.0009658800000000 ] - [ 0.0023442700000000, 0.0030190400000000, 0.0022375100000000 ] - [ -0.0024788100000000, -0.0035369700000000, -0.0046884100000000 ] - [ 0.0011092300000000, 0.0004192300000000, 0.0009149200000000 ] - [ 0.0020695200000000, -0.0017273800000000, -0.0003265200000000 ] - [ -0.0057146300000000, 0.0186246200000000, -0.0192097200000000 ] - [ 0.0008334000000000, 0.0003161100000000, 0.0006242500000000 ] - [ -0.0011762400000000, -0.0008185900000000, -0.0004631200000000 ] - [ 0.0003836900000000, -0.0000990400000000, 0.0000840700000000 ] - [ -0.0004918900000000, -0.0003114100000000, -0.0000871500000000 ] - [ 0.0006341500000000, -0.0001796700000000, -0.0001453600000000 ] - [ -0.0001014200000000, 0.0003376100000000, -0.0003327500000000 ] - [ 0.0004188700000000, -0.0000970400000000, -0.0000737500000000 ] - [ -0.0017965000000000, -0.0012603400000000, -0.0032497200000000 ] - [ 0.0012748800000000, 0.0010337100000000, 0.0020499800000000 ] - [ -0.0837578100000000, 0.0897348700000000, -0.0368986300000000 ] - [ 0.0007865800000000, 0.0000371200000000, 0.0003435300000000 ] - [ -0.0051123600000000, -0.0015724200000000, 0.0004943300000000 ] - [ 0.0007903000000000, 0.0012853000000000, 0.0004879400000000 ] - [ 0.0000788400000000, -0.0011596600000000, -0.0000494700000000 ] - [ 0.0009893200000000, 0.0014486200000000, 0.0012367600000000 ] - [ -0.0011469900000000, 0.0005473200000000, -0.0019630800000000 ] - [ 0.0012162900000000, -0.0001061800000000, 0.0001443700000000 ] - [ -0.0120819800000000, -0.0115177000000000, 0.0004655000000000 ] - [ 0.0006919700000000, 0.0003038700000000, 0.0007416900000000 ] - [ -0.0002731200000000, -0.0008299200000000, -0.0002113400000000 ] - [ 0.0004234600000000, -0.0000202900000000, -0.0000241300000000 ] - [ 0.0018319000000000, -0.0008608000000000, -0.0016011800000000 ] - [ 0.0029694000000000, 0.0012437100000000, 0.0025944900000000 ] - [ 0.0004174600000000, -0.0007155600000000, 0.0008572200000000 ] - [ 0.0000408700000000, 0.0003060300000000, -0.0001992400000000 ] - [ 0.0001523000000000, 0.0007345600000000, -0.0006958700000000 ] - [ 0.0004487700000000, -0.0007812900000000, 0.0001215100000000 ] - [ -0.0012712400000000, 0.0004902800000000, -0.0002395100000000 ] - [ 0.0008992800000000, 0.0003264700000000, 0.0002773200000000 ] - [ 0.0028285600000000, -0.0027379100000000, -0.0046480100000000 ] - [ 0.0007364700000000, 0.0007744800000000, 0.0004127300000000 ] - [ 0.0001163900000000, 0.0001123700000000, -0.0001396400000000 ] - [ 0.0000951100000000, -0.0000511500000000, 0.0001298200000000 ] - [ 0.0035153400000000, -0.0037005000000000, 0.0019792700000000 ] - [ -0.0005981200000000, 0.0007065300000000, -0.0002326400000000 ] - [ -0.0005235100000000, -0.0000990000000000, -0.0009206600000000 ] - [ 0.0007920000000000, -0.0000571600000000, 0.0003739800000000 ] - [ -0.0008037000000000, -0.0004710700000000, 0.0025076600000000 ] - [ -0.0000781300000000, 0.0010971100000000, 0.0021654100000000 ] - [ 0.0001183400000000, -0.0008832400000000, 0.0006971600000000 ] - [ -0.0005001400000000, 0.0002203200000000, 0.0002932600000000 ] - [ -0.0007624000000000, -0.0003346100000000, -0.0026385000000000 ] - [ 0.0011532200000000, -0.0001022500000000, 0.0002102300000000 ] - [ -0.0005828000000000, -0.0017507300000000, -0.0006078600000000 ] - [ 0.0010723000000000, 0.0005403500000000, 0.0001867800000000 ] - [ -0.0004700100000000, -0.0001447700000000, -0.0002139100000000 ] - [ 0.0006358100000000, -0.0005405000000000, 0.0005298100000000 ] - [ 0.0096919800000000, -0.0230970300000000, 0.0297073300000000 ] - [ 0.0010239100000000, 0.0002661800000000, 0.0011175900000000 ]- atom: 53 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ 0.0024104800000000, -0.0002724600000000, 0.0003218000000000 ] - [ 0.0041473900000000, 0.0018983500000000, -0.0018096800000000 ] - [ 0.0005699200000000, 0.0003775200000000, 0.0005167100000000 ] - [ -0.0037171600000000, 0.0002774400000000, 0.0000944500000000 ] - [ 0.0001417000000000, -0.0001181100000000, -0.0001046700000000 ] - [ -0.0000468000000000, -0.0002518400000000, -0.0001753400000000 ] - [ -0.0039970200000000, 0.0003098300000000, -0.0010588300000000 ] - [ 0.0005352600000000, -0.0001403600000000, 0.0009023200000000 ] - [ -0.0001167400000000, -0.0003059400000000, -0.0003464700000000 ] - [ 0.0003690300000000, 0.0000640600000000, -0.0002187000000000 ] - [ -0.0020621000000000, 0.0017394400000000, -0.0011731900000000 ] - [ 0.0009719900000000, -0.0004701400000000, 0.0001602400000000 ] - [ -0.0001267100000000, -0.0002448600000000, -0.0003377500000000 ] - [ 0.0004292400000000, -0.0001234200000000, 0.0001449600000000 ] - [ 0.0003948800000000, -0.0010396400000000, -0.0002983900000000 ] - [ 0.0004642000000000, 0.0002882900000000, 0.0001257700000000 ] - [ -0.0035509700000000, 0.0009192300000000, -0.0004394400000000 ] - [ 0.0011622100000000, 0.0001062400000000, 0.0007762300000000 ] - [ -0.0012258800000000, 0.0000285000000000, -0.0005134200000000 ] - [ 0.0006434400000000, -0.0002579400000000, -0.0000584200000000 ] - [ -0.0015934500000000, -0.0009013600000000, -0.0005526300000000 ] - [ 0.0011169300000000, -0.0001699000000000, 0.0003768600000000 ] - [ -0.0015649500000000, 0.0007989800000000, -0.0000635700000000 ] - [ 0.0007955000000000, -0.0009463100000000, 0.0002314300000000 ] - [ -0.0002859000000000, -0.0072229500000000, 0.0115708400000000 ] - [ -0.0000842100000000, 0.0011639200000000, 0.0013266300000000 ] - [ -0.0047652200000000, 0.0015533700000000, -0.0079708000000000 ] - [ 0.0016506400000000, 0.0012773700000000, 0.0013456500000000 ] - [ -0.0009792800000000, 0.0000870200000000, -0.0009297200000000 ] - [ 0.0000799600000000, -0.0011724700000000, 0.0009250400000000 ] - [ -0.0013131200000000, -0.0010375000000000, -0.0002011700000000 ] - [ 0.0007221500000000, -0.0003255000000000, 0.0003927800000000 ] - [ 0.0010070900000000, -0.0028146500000000, -0.0033066900000000 ] - [ 0.0012439900000000, 0.0016328200000000, 0.0015940200000000 ] - [ 0.0028076100000000, -0.0024264200000000, 0.0003543200000000 ] - [ 0.0000132800000000, 0.0015842000000000, -0.0010160100000000 ] - [ -0.0775175100000000, 0.0703342700000000, -0.0276708600000000 ] - [ 0.0025162700000000, -0.0001379100000000, 0.0009092400000000 ] - [ -0.0020466600000000, -0.0033202700000000, -0.0021205100000000 ] - [ 0.0027737900000000, 0.0032317800000000, 0.0048160800000000 ] - [ 0.0004222200000000, -0.0014564700000000, -0.0005371900000000 ] - [ -0.0005454700000000, 0.0006960000000000, 0.0007029900000000 ] - [ 0.0053880600000000, -0.0181113800000000, 0.0195637800000000 ] - [ -0.0011903700000000, 0.0001787600000000, -0.0002463400000000 ] - [ 0.0011363300000000, 0.0005229100000000, 0.0001933900000000 ] - [ -0.0004255100000000, -0.0002090900000000, -0.0003577100000000 ] - [ 0.0008039200000000, 0.0001779400000000, -0.0003792600000000 ] - [ -0.0003241600000000, 0.0000414900000000, -0.0003194900000000 ] - [ 0.0004555000000000, 0.0001625600000000, -0.0000457400000000 ] - [ -0.0000667000000000, 0.0005983100000000, -0.0003043400000000 ] - [ 0.0015225000000000, 0.0008625000000000, 0.0030861900000000 ] - [ -0.0015399400000000, -0.0014271200000000, -0.0021994600000000 ] - [ 0.0845044200000000, -0.0898190000000000, 0.0366836700000000 ] - [ -0.0011064900000000, 0.0003988900000000, -0.0004310700000000 ] - [ 0.0051071600000000, 0.0027411100000000, -0.0006092400000000 ] - [ -0.0007697400000000, -0.0001136800000000, -0.0005943400000000 ] - [ -0.0000470100000000, 0.0008431700000000, 0.0003177300000000 ] - [ -0.0009519400000000, -0.0017776400000000, -0.0009678600000000 ] - [ -0.0003694700000000, -0.0015659400000000, 0.0015715700000000 ] - [ -0.0027566300000000, -0.0009369900000000, -0.0005227100000000 ] - [ 0.0118188900000000, 0.0118738400000000, 0.0001829600000000 ] - [ -0.0008222900000000, 0.0000119000000000, -0.0000400100000000 ] - [ 0.0004803000000000, 0.0009545200000000, -0.0002337600000000 ] - [ -0.0002182600000000, 0.0001277400000000, -0.0004172700000000 ] - [ -0.0020173600000000, 0.0009510700000000, 0.0020237800000000 ] - [ -0.0032048400000000, -0.0011447900000000, -0.0021756600000000 ] - [ -0.0001911500000000, 0.0009400800000000, -0.0000876700000000 ] - [ 0.0001951200000000, -0.0000788200000000, 0.0009750300000000 ] - [ -0.0000224900000000, -0.0004099200000000, -0.0000097000000000 ] - [ -0.0003220500000000, 0.0011055300000000, -0.0008261800000000 ] - [ 0.0012545600000000, 0.0006866200000000, 0.0003435300000000 ] - [ -0.0009196900000000, 0.0008533000000000, -0.0001730600000000 ] - [ -0.0030799500000000, 0.0029809500000000, 0.0039058600000000 ] - [ -0.0009639800000000, -0.0005509700000000, -0.0011849100000000 ] - [ 0.0002004000000000, 0.0003322700000000, 0.0002284800000000 ] - [ 0.0002250400000000, 0.0004938600000000, -0.0000408200000000 ] - [ -0.0039923700000000, 0.0034394800000000, -0.0019107200000000 ] - [ 0.0001402300000000, -0.0009790400000000, 0.0003067100000000 ] - [ 0.0008506900000000, 0.0002013900000000, 0.0004802900000000 ] - [ -0.0004639800000000, 0.0001564200000000, -0.0008149000000000 ] - [ 0.0004894700000000, 0.0003236300000000, -0.0020433000000000 ] - [ -0.0002294000000000, -0.0012490800000000, -0.0017152600000000 ] - [ -0.0010307900000000, 0.0005604500000000, 0.0004244300000000 ] - [ -0.0004002000000000, -0.0005420900000000, 0.0008392200000000 ] - [ 0.0016703100000000, 0.0000135800000000, 0.0015120200000000 ] - [ -0.0002486200000000, -0.0002205800000000, -0.0013374300000000 ] - [ 0.0010600800000000, 0.0015003700000000, 0.0005374100000000 ] - [ -0.0005988000000000, -0.0008018300000000, -0.0002580000000000 ] - [ 0.0007310800000000, -0.0002331200000000, 0.0003498300000000 ] - [ -0.0003755200000000, 0.0001601100000000, -0.0003928100000000 ] - [ -0.0098828000000000, 0.0229357600000000, -0.0288952800000000 ] - [ -0.0013515500000000, -0.0001716900000000, -0.0006765400000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009046400000000, 0.0014671400000000, -0.0000875900000000 ] - [ -0.0009106800000000, 0.0032445600000000, -0.0005428800000000 ] - [ -0.0004365700000000, 0.0004421300000000, 0.0003341900000000 ] - [ -0.0000050200000000, 0.0019650900000000, 0.0006775900000000 ] - [ -0.0001374800000000, -0.0009617000000000, -0.0002267100000000 ] - [ 0.0002636400000000, -0.0012878300000000, -0.0001655900000000 ] - [ -0.0007505000000000, 0.0043722100000000, -0.0035975800000000 ] - [ 0.0000951500000000, 0.0006320100000000, 0.0005586100000000 ] - [ 0.0003312100000000, -0.0017982000000000, -0.0000752200000000 ] - [ -0.0001165000000000, -0.0006982200000000, -0.0003581800000000 ] - [ -0.0035893700000000, -0.0008694800000000, 0.0015152900000000 ] - [ 0.0006089200000000, 0.0001204400000000, 0.0001163900000000 ] - [ 0.0001857700000000, -0.0018695600000000, 0.0001922500000000 ] - [ 0.0001651000000000, -0.0005873100000000, -0.0000292600000000 ] - [ 0.0028396200000000, -0.0032871700000000, -0.0001233500000000 ] - [ -0.0002636800000000, -0.0004580700000000, -0.0000992800000000 ] - [ -0.0012213700000000, 0.0071463900000000, 0.0007651500000000 ] - [ 0.0005604000000000, 0.0006293400000000, 0.0004743900000000 ] - [ -0.0026671900000000, -0.0030440000000000, -0.0013102000000000 ] - [ 0.0005807800000000, -0.0006323200000000, -0.0000887900000000 ] - [ -0.0002709200000000, -0.0030919000000000, -0.0006313500000000 ] - [ 0.0001029700000000, -0.0009044800000000, 0.0002197400000000 ] - [ -0.0021123200000000, -0.0017502400000000, -0.0013401500000000 ] - [ 0.0012972900000000, -0.0018250100000000, 0.0002953300000000 ] - [ 0.0023604800000000, -0.0021271300000000, 0.0075313500000000 ] - [ -0.0017299900000000, 0.0015689500000000, 0.0001102500000000 ] - [ 0.0025045300000000, -0.0036753200000000, 0.0120191200000000 ] - [ 0.0004676900000000, 0.0007870100000000, 0.0002970600000000 ] - [ -0.0012749800000000, -0.0032507400000000, -0.0006723200000000 ] - [ 0.0001803600000000, -0.0030399600000000, 0.0004709400000000 ] - [ -0.0018033200000000, -0.0087107900000000, -0.0019906100000000 ] - [ 0.0003041100000000, -0.0014266000000000, 0.0005355100000000 ] - [ 0.0027312600000000, -0.0035972600000000, 0.0016925800000000 ] - [ -0.0027833100000000, 0.0015998200000000, -0.0005800800000000 ] - [ 0.0021534500000000, -0.0019924600000000, 0.0008696000000000 ] - [ -0.0043592600000000, -0.0008655700000000, -0.0016023500000000 ] - [ -0.0663968500000000, 0.3216874500000000, -0.0991907500000000 ] - [ 0.0008921700000000, 0.0010598000000000, -0.0001182500000000 ] - [ 0.0012432500000000, 0.0057442100000000, 0.0027475200000000 ] - [ -0.0001973900000000, 0.0057903900000000, 0.0003936200000000 ] - [ 0.0029097000000000, -0.0004942000000000, 0.0014057800000000 ] - [ -0.0021387900000000, 0.0012547900000000, -0.0003143500000000 ] - [ 0.0020362200000000, 0.0132463200000000, -0.0236231400000000 ] - [ -0.0005600800000000, -0.0001979200000000, 0.0003151200000000 ] - [ 0.0005774800000000, 0.0072428900000000, 0.0011038500000000 ] - [ -0.0001026400000000, 0.0002159800000000, -0.0001396600000000 ] - [ 0.0001751000000000, 0.0021216900000000, -0.0000511600000000 ] - [ -0.0000065000000000, 0.0005061500000000, -0.0004805000000000 ] - [ 0.0006436500000000, 0.0013678800000000, 0.0007172000000000 ] - [ -0.0004261200000000, 0.0013485800000000, -0.0001348200000000 ] - [ -0.0010043700000000, -0.0030309000000000, -0.0034765900000000 ] - [ -0.0002816600000000, -0.0015125700000000, -0.0006097000000000 ] - [ 0.0868030700000000, -0.3816942900000000, 0.1341881300000000 ] - [ -0.0003406900000000, -0.0005857700000000, 0.0000044800000000 ] - [ -0.0018945400000000, 0.0014354000000000, -0.0026145400000000 ] - [ 0.0003341800000000, 0.0000915700000000, -0.0000745900000000 ] - [ -0.0013690800000000, -0.0015726900000000, -0.0000217400000000 ] - [ 0.0017442100000000, -0.0021804500000000, 0.0014287500000000 ] - [ 0.0022857900000000, 0.0027294700000000, -0.0018405900000000 ] - [ -0.0018697500000000, -0.0005614400000000, -0.0004206800000000 ] - [ -0.0118768100000000, 0.0334325200000000, -0.0018961900000000 ] - [ -0.0002149300000000, -0.0002275800000000, 0.0001087800000000 ] - [ 0.0009172800000000, 0.0057355500000000, -0.0008589900000000 ] - [ 0.0000869900000000, 0.0008611700000000, -0.0004952600000000 ] - [ 0.0015329000000000, -0.0037677600000000, -0.0012703800000000 ] - [ -0.0016420700000000, -0.0028995800000000, -0.0010957100000000 ] - [ -0.0001012000000000, 0.0013067400000000, -0.0002964600000000 ] - [ 0.0012505500000000, 0.0015456200000000, 0.0009326500000000 ] - [ 0.0010860800000000, 0.0015009100000000, -0.0005960800000000 ] - [ -0.0006822400000000, 0.0017106700000000, -0.0010842900000000 ] - [ 0.0005494300000000, 0.0028618100000000, 0.0012995700000000 ] - [ -0.0007540100000000, 0.0009969400000000, -0.0001209300000000 ] - [ -0.0033952300000000, 0.0003673600000000, 0.0012921700000000 ] - [ 0.0004341800000000, -0.0007533900000000, -0.0004241900000000 ] - [ 0.0002679900000000, 0.0022898400000000, 0.0004454800000000 ] - [ 0.0004305400000000, 0.0019451400000000, 0.0002617300000000 ] - [ -0.0030942400000000, 0.0019679600000000, -0.0011627600000000 ] - [ 0.0018162500000000, -0.0010450600000000, 0.0003753800000000 ] - [ 0.0005396200000000, 0.0016454300000000, 0.0007197500000000 ] - [ -0.0002152800000000, 0.0007112500000000, -0.0004648100000000 ] - [ -0.0001113300000000, -0.0021178500000000, -0.0025958900000000 ] - [ 0.0001098300000000, -0.0019441800000000, -0.0003024500000000 ] - [ -0.0013241600000000, 0.0009302100000000, 0.0000509200000000 ] - [ 0.0006122300000000, 0.0008296000000000, 0.0014066400000000 ] - [ 0.0006769200000000, 0.0014534500000000, -0.0050798400000000 ] - [ 0.0007131400000000, -0.0008050900000000, -0.0001387000000000 ] - [ 0.0006537700000000, 0.0023643200000000, -0.0004233800000000 ] - [ 0.0007752100000000, 0.0001199100000000, 0.0000102800000000 ] - [ 0.0008752900000000, 0.0016273800000000, 0.0002576500000000 ] - [ -0.0002978200000000, 0.0008019400000000, -0.0005799200000000 ] - [ -0.0067303900000000, 0.0010671800000000, -0.0129852500000000 ] - [ -0.0001497400000000, -0.0007485500000000, 0.0003632400000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011885700000000, -0.0015250600000000, 0.0002104300000000 ] - [ 0.0005919400000000, -0.0033157400000000, 0.0006821400000000 ] - [ 0.0001173000000000, -0.0005142600000000, 0.0002919400000000 ] - [ -0.0005525900000000, -0.0018070300000000, -0.0001354700000000 ] - [ 0.0001430400000000, 0.0008955300000000, -0.0000740900000000 ] - [ -0.0002512900000000, 0.0012220200000000, -0.0001336300000000 ] - [ 0.0003662200000000, -0.0042998700000000, 0.0043012500000000 ] - [ -0.0004776200000000, -0.0005841800000000, 0.0000951800000000 ] - [ 0.0000488000000000, 0.0018416000000000, -0.0005828300000000 ] - [ 0.0005002900000000, 0.0007419200000000, -0.0002957700000000 ] - [ 0.0037003100000000, 0.0008714300000000, -0.0017145800000000 ] - [ -0.0006138200000000, -0.0002494000000000, -0.0002610500000000 ] - [ 0.0001075500000000, 0.0018175800000000, -0.0003095900000000 ] - [ 0.0001251300000000, 0.0005320000000000, -0.0000928200000000 ] - [ -0.0028538000000000, 0.0031579500000000, 0.0002688900000000 ] - [ 0.0002684300000000, 0.0003193700000000, 0.0002521400000000 ] - [ 0.0012251600000000, -0.0072255300000000, -0.0005074800000000 ] - [ -0.0005702600000000, -0.0006977200000000, -0.0001749600000000 ] - [ 0.0030067600000000, 0.0029728100000000, 0.0006890800000000 ] - [ -0.0002644400000000, 0.0005548600000000, -0.0005361700000000 ] - [ 0.0001965000000000, 0.0026647700000000, 0.0005368700000000 ] - [ -0.0001883600000000, 0.0004748900000000, -0.0003092900000000 ] - [ 0.0017475600000000, 0.0017607200000000, 0.0011496000000000 ] - [ -0.0016557700000000, 0.0018366700000000, -0.0004741100000000 ] - [ -0.0022780500000000, 0.0016700600000000, -0.0073762200000000 ] - [ 0.0018235900000000, -0.0020164700000000, -0.0000301100000000 ] - [ -0.0021803500000000, 0.0036869000000000, -0.0118487300000000 ] - [ -0.0001104200000000, -0.0007883700000000, -0.0001196400000000 ] - [ 0.0004559200000000, 0.0029157200000000, 0.0007286200000000 ] - [ -0.0009907300000000, 0.0027053700000000, -0.0004096400000000 ] - [ 0.0015215400000000, 0.0083727800000000, 0.0018820900000000 ] - [ -0.0005863900000000, 0.0010885500000000, -0.0006274900000000 ] - [ -0.0030586900000000, 0.0046029000000000, -0.0015051400000000 ] - [ 0.0024421100000000, -0.0006014800000000, 0.0007661600000000 ] - [ -0.0018269500000000, 0.0029558400000000, -0.0010695900000000 ] - [ 0.0046991400000000, 0.0018391500000000, 0.0014256000000000 ] - [ 0.0725967300000000, -0.3396412400000000, 0.1079562400000000 ] - [ -0.0000817300000000, -0.0013981200000000, 0.0000590300000000 ] - [ -0.0009687300000000, -0.0061222800000000, -0.0026560000000000 ] - [ 0.0004523400000000, -0.0061477000000000, -0.0003190300000000 ] - [ -0.0013670600000000, -0.0005529400000000, -0.0010244400000000 ] - [ 0.0036719900000000, -0.0022998400000000, 0.0006896900000000 ] - [ -0.0024437000000000, -0.0128927100000000, 0.0243059900000000 ] - [ 0.0002065800000000, 0.0006933000000000, 0.0000655600000000 ] - [ -0.0006212300000000, -0.0075403400000000, -0.0013827300000000 ] - [ 0.0000623800000000, -0.0005316300000000, -0.0001356900000000 ] - [ 0.0001296100000000, -0.0022628200000000, -0.0004034600000000 ] - [ 0.0003179600000000, -0.0006454700000000, 0.0000174800000000 ] - [ -0.0002863200000000, -0.0008737300000000, -0.0010944400000000 ] - [ 0.0007769000000000, -0.0008561100000000, -0.0002471900000000 ] - [ 0.0007458100000000, 0.0026629000000000, 0.0033546000000000 ] - [ 0.0000246500000000, 0.0011335900000000, 0.0004773000000000 ] - [ -0.0925753100000000, 0.4002479200000000, -0.1432303800000000 ] - [ 0.0000239500000000, 0.0010267900000000, -0.0000932100000000 ] - [ 0.0019313100000000, -0.0002390500000000, 0.0025035200000000 ] - [ -0.0003186900000000, 0.0010932400000000, -0.0000275200000000 ] - [ 0.0014193000000000, 0.0012763000000000, 0.0002905600000000 ] - [ -0.0016981300000000, 0.0018826700000000, -0.0011516700000000 ] - [ -0.0038203500000000, -0.0037744900000000, 0.0014638800000000 ] - [ 0.0003396200000000, -0.0004721100000000, 0.0000462500000000 ] - [ 0.0120828300000000, -0.0339732200000000, 0.0025401000000000 ] - [ 0.0000887000000000, 0.0005438600000000, 0.0005934000000000 ] - [ -0.0007112300000000, -0.0056314600000000, 0.0004208600000000 ] - [ 0.0001187900000000, -0.0007501700000000, 0.0000536200000000 ] - [ -0.0017574500000000, 0.0038889200000000, 0.0017238600000000 ] - [ 0.0014504600000000, 0.0030091600000000, 0.0015478600000000 ] - [ 0.0003322200000000, -0.0010797400000000, 0.0010719000000000 ] - [ -0.0010256900000000, -0.0013233600000000, -0.0001677100000000 ] - [ -0.0009549200000000, -0.0011876700000000, -0.0001057300000000 ] - [ 0.0008058300000000, -0.0013975700000000, 0.0003817600000000 ] - [ -0.0005687200000000, -0.0016851200000000, -0.0011870000000000 ] - [ 0.0007367900000000, 0.0001776900000000, 0.0002260400000000 ] - [ 0.0031626000000000, -0.0001643400000000, -0.0020734200000000 ] - [ -0.0006600500000000, 0.0009689600000000, -0.0003533000000000 ] - [ 0.0000530900000000, -0.0018501300000000, -0.0003561800000000 ] - [ -0.0001170100000000, -0.0015057300000000, -0.0001747600000000 ] - [ 0.0026045200000000, -0.0022100900000000, 0.0012249500000000 ] - [ -0.0023008600000000, 0.0007954100000000, -0.0003030200000000 ] - [ -0.0002128700000000, -0.0015475400000000, -0.0011589900000000 ] - [ 0.0005416900000000, -0.0006148000000000, 0.0000216200000000 ] - [ -0.0001952400000000, 0.0019856700000000, 0.0030529700000000 ] - [ -0.0004148000000000, 0.0018142900000000, 0.0007826400000000 ] - [ 0.0004235900000000, -0.0012507000000000, 0.0010839800000000 ] - [ -0.0015234000000000, -0.0011515400000000, -0.0002852100000000 ] - [ 0.0002356600000000, -0.0017894400000000, 0.0039409700000000 ] - [ 0.0001962300000000, 0.0004759700000000, -0.0009822200000000 ] - [ -0.0001881800000000, -0.0026373400000000, 0.0003522100000000 ] - [ -0.0002985500000000, -0.0003866900000000, -0.0000805500000000 ] - [ -0.0006088900000000, -0.0020156800000000, -0.0001089800000000 ] - [ 0.0005592300000000, -0.0011881900000000, 0.0007190900000000 ] - [ 0.0063635500000000, -0.0008111900000000, 0.0133622800000000 ] - [ -0.0001750100000000, 0.0008493900000000, 0.0000810000000000 ]- atom: 53 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ -0.0003376400000000, -0.0004539300000000, 0.0009542500000000 ] - [ 0.0031009900000000, 0.0002788300000000, 0.0006167600000000 ] - [ 0.0001304700000000, 0.0000493600000000, 0.0003718300000000 ] - [ -0.0016335400000000, 0.0003716700000000, 0.0021666100000000 ] - [ 0.0000831000000000, 0.0000750600000000, -0.0000238700000000 ] - [ -0.0000422100000000, 0.0001279300000000, -0.0001118400000000 ] - [ -0.0006063200000000, -0.0024082500000000, -0.0020597400000000 ] - [ -0.0003721700000000, 0.0000330100000000, 0.0001935600000000 ] - [ 0.0000626500000000, 0.0005723000000000, -0.0002733900000000 ] - [ 0.0002077900000000, 0.0000819400000000, -0.0003857500000000 ] - [ 0.0006530900000000, 0.0020304700000000, 0.0012024800000000 ] - [ -0.0000169200000000, -0.0000837400000000, -0.0000347800000000 ] - [ 0.0001367600000000, 0.0002801000000000, -0.0002630300000000 ] - [ 0.0001285300000000, 0.0000664700000000, -0.0001133700000000 ] - [ 0.0010187800000000, -0.0005874300000000, -0.0000248400000000 ] - [ -0.0000004800000000, -0.0000568900000000, 0.0001781500000000 ] - [ -0.0008115000000000, 0.0002000800000000, 0.0006881000000000 ] - [ -0.0001993000000000, -0.0001819600000000, -0.0000917800000000 ] - [ -0.0008466900000000, -0.0004442400000000, 0.0000091200000000 ] - [ 0.0001859600000000, 0.0000049400000000, -0.0004369300000000 ] - [ 0.0008544800000000, -0.0005826900000000, -0.0000955300000000 ] - [ -0.0002308100000000, -0.0001496000000000, -0.0000934400000000 ] - [ -0.0005535400000000, -0.0006899100000000, 0.0000102900000000 ] - [ -0.0004705600000000, 0.0002432800000000, -0.0001928500000000 ] - [ -0.0006489600000000, 0.0001039200000000, -0.0053042400000000 ] - [ 0.0007390700000000, -0.0013669500000000, -0.0014407900000000 ] - [ -0.0028296300000000, 0.0028077400000000, -0.0141381600000000 ] - [ -0.0003337100000000, -0.0003804200000000, -0.0001179700000000 ] - [ -0.0000868500000000, 0.0004440500000000, -0.0007033400000000 ] - [ -0.0007229800000000, 0.0000606600000000, 0.0000212500000000 ] - [ -0.0001343000000000, 0.0000608300000000, 0.0013604600000000 ] - [ -0.0002059000000000, 0.0000340100000000, -0.0001228900000000 ] - [ 0.0004892100000000, -0.0000343700000000, -0.0073423800000000 ] - [ -0.0007531100000000, 0.0003890500000000, 0.0001158600000000 ] - [ -0.0009511900000000, 0.0023574300000000, 0.0004668500000000 ] - [ 0.0043790300000000, 0.0011241700000000, -0.0006882900000000 ] - [ -0.0065583800000000, -0.0679441500000000, 0.0857227200000000 ] - [ 0.0003384200000000, -0.0003956800000000, -0.0000007200000000 ] - [ 0.0014225000000000, -0.0033500200000000, -0.0046194300000000 ] - [ -0.0024030300000000, -0.0009384200000000, 0.0010506000000000 ] - [ 0.0011933400000000, -0.0001708800000000, 0.0001723500000000 ] - [ 0.0006611100000000, -0.0003960000000000, 0.0014393000000000 ] - [ -0.0014605900000000, -0.0309674200000000, 0.0226688500000000 ] - [ -0.0000425200000000, 0.0003141300000000, 0.0001837900000000 ] - [ 0.0002671000000000, -0.0009010500000000, -0.0008708400000000 ] - [ -0.0000365000000000, -0.0002241600000000, -0.0001277000000000 ] - [ 0.0002324900000000, -0.0001463000000000, -0.0007250000000000 ] - [ 0.0002059300000000, -0.0001406200000000, -0.0002212800000000 ] - [ 0.0001081900000000, 0.0003364000000000, 0.0001161000000000 ] - [ 0.0003772000000000, 0.0000983100000000, -0.0001367300000000 ] - [ -0.0006083800000000, 0.0014106400000000, 0.0045312400000000 ] - [ 0.0004761400000000, 0.0001067600000000, 0.0000776000000000 ] - [ 0.0021251500000000, 0.0879163200000000, -0.1022672800000000 ] - [ -0.0002093800000000, 0.0003401200000000, -0.0000639900000000 ] - [ 0.0021971600000000, -0.0003374700000000, 0.0020852700000000 ] - [ 0.0001595800000000, 0.0010068800000000, 0.0002265500000000 ] - [ -0.0003438100000000, 0.0003452200000000, 0.0009073000000000 ] - [ 0.0004696300000000, 0.0000994300000000, -0.0007379800000000 ] - [ -0.0038567300000000, -0.0039183000000000, 0.0029421500000000 ] - [ -0.0001359600000000, -0.0005582800000000, -0.0002181700000000 ] - [ 0.0003843000000000, 0.0222956400000000, -0.0089935500000000 ] - [ -0.0000208000000000, 0.0002576300000000, 0.0004341800000000 ] - [ 0.0000642900000000, 0.0003594300000000, -0.0005595700000000 ] - [ 0.0000977500000000, -0.0000680700000000, -0.0001711600000000 ] - [ -0.0029578400000000, 0.0017799700000000, 0.0019935500000000 ] - [ 0.0004578900000000, 0.0001033600000000, -0.0005001200000000 ] - [ 0.0002991500000000, -0.0004257600000000, 0.0004868500000000 ] - [ -0.0007267800000000, -0.0001882700000000, 0.0011466900000000 ] - [ -0.0003473800000000, -0.0004334100000000, -0.0001043800000000 ] - [ 0.0001948300000000, 0.0000893400000000, -0.0003934000000000 ] - [ -0.0002001800000000, 0.0015950900000000, 0.0003466300000000 ] - [ 0.0001396000000000, 0.0005217800000000, 0.0000908900000000 ] - [ -0.0037569000000000, 0.0030131200000000, 0.0039855200000000 ] - [ 0.0000315500000000, 0.0002185400000000, -0.0006035800000000 ] - [ 0.0000102900000000, -0.0000956200000000, 0.0002065700000000 ] - [ 0.0002633800000000, 0.0001391100000000, 0.0000304000000000 ] - [ 0.0020119900000000, -0.0018673600000000, 0.0012474200000000 ] - [ -0.0015484700000000, 0.0006409600000000, 0.0009632500000000 ] - [ 0.0000123800000000, -0.0000123000000000, 0.0000630300000000 ] - [ 0.0003256100000000, -0.0000025500000000, -0.0001460200000000 ] - [ -0.0007129000000000, 0.0007755800000000, 0.0024660900000000 ] - [ 0.0013874400000000, 0.0008934400000000, 0.0013233300000000 ] - [ -0.0004302900000000, -0.0005400000000000, 0.0000809700000000 ] - [ -0.0011839800000000, -0.0005577400000000, 0.0004297600000000 ] - [ 0.0002265500000000, -0.0033250800000000, 0.0064882000000000 ] - [ 0.0005878400000000, -0.0001128700000000, -0.0005012600000000 ] - [ -0.0002496500000000, -0.0006695100000000, 0.0012660200000000 ] - [ 0.0004338300000000, -0.0000206700000000, -0.0000458400000000 ] - [ 0.0000018700000000, -0.0000060300000000, -0.0005165400000000 ] - [ 0.0001919100000000, -0.0003738300000000, 0.0001975700000000 ] - [ 0.0114038600000000, -0.0100722900000000, 0.0022458600000000 ] - [ -0.0003514300000000, 0.0001259900000000, 0.0006115800000000 ]- atom: 53 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ 0.0000534100000000, 0.0004029600000000, -0.0008365900000000 ] - [ -0.0033922500000000, -0.0003297300000000, -0.0004822700000000 ] - [ -0.0004500200000000, -0.0001262200000000, 0.0002549400000000 ] - [ 0.0013383600000000, -0.0004593000000000, -0.0015370400000000 ] - [ -0.0000738800000000, -0.0001454700000000, -0.0002750500000000 ] - [ 0.0000523000000000, -0.0001979700000000, -0.0001847900000000 ] - [ 0.0002058200000000, 0.0024901600000000, 0.0028761200000000 ] - [ -0.0000064500000000, 0.0000143700000000, 0.0004628400000000 ] - [ 0.0003163500000000, -0.0005303300000000, -0.0003806500000000 ] - [ 0.0001736200000000, -0.0000380200000000, -0.0002699500000000 ] - [ -0.0006060200000000, -0.0021101800000000, -0.0013627500000000 ] - [ 0.0000177900000000, -0.0000498200000000, -0.0001046300000000 ] - [ 0.0001562500000000, -0.0003400700000000, 0.0001391100000000 ] - [ 0.0001635200000000, -0.0001233600000000, -0.0000082500000000 ] - [ -0.0009978900000000, 0.0004362600000000, 0.0001668700000000 ] - [ 0.0000027200000000, -0.0000788100000000, -0.0000278900000000 ] - [ 0.0008650700000000, -0.0004138700000000, -0.0008159900000000 ] - [ 0.0001910200000000, 0.0001154500000000, 0.0003922200000000 ] - [ 0.0011467100000000, 0.0003551100000000, -0.0006380700000000 ] - [ 0.0001321700000000, -0.0000817900000000, -0.0001893600000000 ] - [ -0.0009441800000000, 0.0001413100000000, 0.0000051800000000 ] - [ 0.0001492500000000, -0.0002840900000000, 0.0000036700000000 ] - [ 0.0001856000000000, 0.0006927600000000, -0.0001919700000000 ] - [ 0.0001210000000000, -0.0002472300000000, 0.0000111400000000 ] - [ 0.0007276800000000, -0.0005754600000000, 0.0054837700000000 ] - [ -0.0006511000000000, 0.0009402700000000, 0.0015335200000000 ] - [ 0.0031664800000000, -0.0028045000000000, 0.0143138600000000 ] - [ 0.0006974300000000, 0.0003888600000000, 0.0002994400000000 ] - [ -0.0007328300000000, -0.0007908700000000, 0.0007588300000000 ] - [ -0.0000881000000000, -0.0004035600000000, 0.0000352400000000 ] - [ -0.0001552000000000, -0.0004210300000000, -0.0014496400000000 ] - [ -0.0000729300000000, -0.0003758500000000, 0.0000328000000000 ] - [ -0.0008083500000000, 0.0010045400000000, 0.0075413300000000 ] - [ 0.0004197800000000, 0.0006042400000000, 0.0000727300000000 ] - [ 0.0012897600000000, -0.0013849100000000, -0.0006500200000000 ] - [ -0.0040459700000000, -0.0001248900000000, 0.0004930700000000 ] - [ 0.0077707800000000, 0.0677767700000000, -0.0865726900000000 ] - [ 0.0004807500000000, 0.0000643000000000, -0.0000542000000000 ] - [ -0.0011720400000000, 0.0030426500000000, 0.0047188300000000 ] - [ 0.0026922800000000, 0.0006130700000000, -0.0009701900000000 ] - [ 0.0003450700000000, -0.0008722600000000, 0.0002046700000000 ] - [ 0.0008536300000000, -0.0006337900000000, -0.0010656600000000 ] - [ 0.0009758400000000, 0.0309383900000000, -0.0220538100000000 ] - [ -0.0003152600000000, 0.0001797700000000, 0.0001962100000000 ] - [ -0.0003065100000000, 0.0006099500000000, 0.0006030500000000 ] - [ -0.0000043500000000, -0.0000845900000000, -0.0001450700000000 ] - [ 0.0000810200000000, 0.0000141900000000, 0.0002578900000000 ] - [ 0.0001030700000000, 0.0000033800000000, -0.0002424100000000 ] - [ 0.0002490000000000, 0.0001628000000000, -0.0004928200000000 ] - [ -0.0000275700000000, 0.0004019200000000, -0.0002392200000000 ] - [ 0.0003565100000000, -0.0018069400000000, -0.0046690100000000 ] - [ -0.0007405900000000, -0.0004937500000000, -0.0002146500000000 ] - [ -0.0027978300000000, -0.0871473500000000, 0.1031089400000000 ] - [ -0.0001088700000000, 0.0000958700000000, -0.0000239600000000 ] - [ -0.0021505000000000, 0.0015215300000000, -0.0022014400000000 ] - [ -0.0001459000000000, 0.0001668300000000, -0.0003299400000000 ] - [ 0.0003826100000000, -0.0006626500000000, -0.0006319700000000 ] - [ -0.0004214800000000, -0.0004130200000000, 0.0010156800000000 ] - [ 0.0023165000000000, 0.0028623300000000, -0.0033021300000000 ] - [ -0.0014051400000000, -0.0004815400000000, -0.0001588000000000 ] - [ -0.0005886200000000, -0.0219251400000000, 0.0097018100000000 ] - [ -0.0001082100000000, 0.0000597400000000, 0.0002688000000000 ] - [ 0.0001449200000000, -0.0002319100000000, 0.0001142200000000 ] - [ 0.0001073300000000, 0.0001776800000000, -0.0002708700000000 ] - [ 0.0027801800000000, -0.0016851200000000, -0.0015554200000000 ] - [ -0.0006641500000000, -0.0000003300000000, 0.0009428900000000 ] - [ -0.0000699500000000, 0.0006549300000000, 0.0002818300000000 ] - [ 0.0009545400000000, 0.0004123400000000, -0.0003665200000000 ] - [ 0.0004792400000000, 0.0007583300000000, -0.0006005100000000 ] - [ -0.0000682100000000, 0.0002321400000000, -0.0003122400000000 ] - [ 0.0001873800000000, -0.0004119700000000, -0.0002413800000000 ] - [ -0.0001625100000000, 0.0006557300000000, 0.0000140200000000 ] - [ 0.0034955100000000, -0.0027699200000000, -0.0047464000000000 ] - [ -0.0002597100000000, 0.0000011300000000, -0.0001692700000000 ] - [ 0.0003080200000000, 0.0005408800000000, -0.0001157000000000 ] - [ 0.0000549500000000, 0.0003030900000000, 0.0000587600000000 ] - [ -0.0025004700000000, 0.0016230100000000, -0.0011857300000000 ] - [ 0.0010742400000000, -0.0009118100000000, -0.0008906700000000 ] - [ 0.0003172400000000, 0.0001155900000000, -0.0004992700000000 ] - [ 0.0000010600000000, 0.0001019300000000, -0.0002942000000000 ] - [ 0.0004166700000000, -0.0009230900000000, -0.0020285200000000 ] - [ -0.0017095000000000, -0.0010395100000000, -0.0008585500000000 ] - [ -0.0004806400000000, 0.0002213900000000, 0.0010438400000000 ] - [ 0.0002769100000000, 0.0002325000000000, 0.0006975200000000 ] - [ 0.0006767500000000, 0.0030353300000000, -0.0076555600000000 ] - [ 0.0003189400000000, -0.0002125200000000, -0.0006247600000000 ] - [ 0.0007271300000000, 0.0004227100000000, -0.0013408100000000 ] - [ 0.0000392800000000, -0.0002433100000000, -0.0000245800000000 ] - [ 0.0002630500000000, -0.0003721700000000, 0.0006542100000000 ] - [ 0.0000667900000000, -0.0000063000000000, -0.0000609700000000 ] - [ -0.0116577600000000, 0.0102072800000000, -0.0019723900000000 ] - [ 0.0000216800000000, -0.0000294200000000, -0.0001726300000000 ]- atom: 55 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ -0.0011063800000000, -0.0016115800000000, 0.0025775300000000 ] - [ -0.0021178000000000, 0.0010807800000000, -0.0011717100000000 ] - [ 0.0000486700000000, -0.0003226100000000, 0.0002821400000000 ] - [ -0.0003693500000000, 0.0002267200000000, 0.0000922600000000 ] - [ 0.0002228500000000, 0.0011012300000000, 0.0005321600000000 ] - [ -0.0003726300000000, -0.0009790300000000, -0.0006922900000000 ] - [ 0.0023794500000000, 0.0012482900000000, 0.0004278400000000 ] - [ -0.0010173900000000, -0.0002246900000000, 0.0000744600000000 ] - [ 0.0039182000000000, -0.0002751600000000, 0.0000391300000000 ] - [ -0.0017443000000000, -0.0000072800000000, -0.0006788200000000 ] - [ 0.0006244300000000, 0.0000614900000000, 0.0005489200000000 ] - [ -0.0006008200000000, -0.0001700000000000, -0.0004154000000000 ] - [ 0.0001385700000000, -0.0009798400000000, 0.0004410000000000 ] - [ -0.0000456000000000, 0.0011090600000000, -0.0007078100000000 ] - [ 0.0014470700000000, -0.0001963200000000, 0.0034142600000000 ] - [ -0.0014707900000000, 0.0000487500000000, -0.0013584900000000 ] - [ -0.0015696900000000, 0.0010400600000000, 0.0011633300000000 ] - [ -0.0014812500000000, -0.0017479400000000, -0.0020689700000000 ] - [ -0.0001337500000000, -0.0004825300000000, -0.0008398300000000 ] - [ 0.0002589600000000, 0.0003696300000000, -0.0014768800000000 ] - [ 0.0009396800000000, -0.0010391500000000, 0.0005326200000000 ] - [ -0.0012394200000000, 0.0001192500000000, -0.0006055700000000 ] - [ 0.0016522300000000, -0.0005921300000000, 0.0003570400000000 ] - [ -0.0015576400000000, 0.0002692300000000, -0.0005877100000000 ] - [ 0.1125857600000000, 0.0588262000000000, -0.0033526300000000 ] - [ -0.0060500100000000, 0.0011203600000000, -0.0009350400000000 ] - [ 0.1395275500000000, -0.0346268400000000, 0.0032802200000000 ] - [ -0.0061865400000000, -0.0024531200000000, -0.0004296700000000 ] - [ 0.0022247400000000, 0.0001249900000000, 0.0013432400000000 ] - [ -0.0024947800000000, -0.0008144400000000, -0.0012094700000000 ] - [ 0.0023208800000000, -0.0011156900000000, 0.0004813400000000 ] - [ -0.0019543700000000, 0.0004653300000000, -0.0007374800000000 ] - [ -0.0016711000000000, 0.0017024300000000, 0.0000347400000000 ] - [ 0.0003432700000000, -0.0010223800000000, 0.0002000800000000 ] - [ -0.0139065100000000, 0.0188492700000000, 0.0018650900000000 ] - [ -0.0184995900000000, -0.0019538200000000, -0.0051494100000000 ] - [ 0.0300119000000000, 0.0077578500000000, -0.0012697800000000 ] - [ -0.0032190000000000, -0.0014583200000000, -0.0012101300000000 ] - [ 0.0292629300000000, 0.0045983200000000, 0.0047559500000000 ] - [ -0.0039515300000000, 0.0002078700000000, -0.0025191200000000 ] - [ -0.0002005400000000, 0.0004469100000000, 0.0000504100000000 ] - [ 0.0020496500000000, -0.0010583100000000, 0.0003697100000000 ] - [ 0.0135528300000000, -0.0263158000000000, 0.0291734600000000 ] - [ 0.0024558900000000, 0.0011104900000000, -0.0005008900000000 ] - [ -0.0004523200000000, -0.0000471500000000, -0.0003178700000000 ] - [ 0.0003344100000000, -0.0001910800000000, 0.0001250200000000 ] - [ -0.0008341000000000, 0.0009460600000000, 0.0000042600000000 ] - [ 0.0010652900000000, -0.0006058500000000, -0.0002542400000000 ] - [ -0.0009384600000000, 0.0000178700000000, -0.0002890200000000 ] - [ 0.0010322700000000, 0.0005513800000000, 0.0000675400000000 ] - [ 0.0109504500000000, -0.0295827100000000, -0.0233505200000000 ] - [ 0.0030877700000000, 0.0008503500000000, 0.0021150600000000 ] - [ -0.0052524000000000, -0.0016860200000000, -0.0000413300000000 ] - [ 0.0006182300000000, 0.0005454200000000, 0.0004872300000000 ] - [ -0.3951267700000000, -0.0510276000000000, 0.0019235800000000 ] - [ 0.0043324900000000, 0.0008831500000000, 0.0003143300000000 ] - [ -0.0050431700000000, 0.0001717800000000, -0.0017953100000000 ] - [ 0.0015157500000000, -0.0008792900000000, 0.0018343500000000 ] - [ 0.0547906300000000, 0.0151802500000000, -0.0010452100000000 ] - [ 0.0062793700000000, -0.0008575100000000, 0.0002827600000000 ] - [ -0.0042223400000000, -0.0006516900000000, -0.0004507800000000 ] - [ 0.0010458300000000, 0.0005711300000000, 0.0015332000000000 ] - [ -0.0010075200000000, 0.0005789100000000, -0.0007748500000000 ] - [ 0.0009686000000000, -0.0003424300000000, 0.0005004700000000 ] - [ -0.0049975700000000, -0.0009449000000000, -0.0011099500000000 ] - [ 0.0009371900000000, -0.0000876000000000, 0.0009364400000000 ] - [ 0.0042447500000000, -0.0059912100000000, 0.0027212900000000 ] - [ 0.0054941600000000, 0.0031145000000000, -0.0013126600000000 ] - [ -0.0005067900000000, 0.0000750000000000, -0.0007869900000000 ] - [ 0.0005859700000000, 0.0003070700000000, 0.0000185200000000 ] - [ -0.0014392800000000, 0.0008381100000000, -0.0001601800000000 ] - [ 0.0011700000000000, 0.0004743000000000, 0.0002754700000000 ] - [ 0.0005207800000000, -0.0010826200000000, -0.0004267600000000 ] - [ 0.0000464700000000, 0.0010985800000000, -0.0004747500000000 ] - [ -0.0011022800000000, -0.0003337300000000, -0.0007641600000000 ] - [ 0.0010682600000000, 0.0009636200000000, 0.0006372800000000 ] - [ 0.0467203900000000, 0.0104138000000000, -0.0021488500000000 ] - [ 0.0071917500000000, -0.0037830300000000, 0.0006291900000000 ] - [ -0.0013408300000000, 0.0006475500000000, -0.0013908000000000 ] - [ 0.0015715200000000, -0.0001232700000000, 0.0008100900000000 ] - [ -0.0088023400000000, 0.0214886700000000, 0.0148322900000000 ] - [ 0.0021075200000000, -0.0005041400000000, -0.0000045100000000 ] - [ 0.0018707600000000, -0.0040854700000000, -0.0029452100000000 ] - [ 0.0036095300000000, 0.0017160600000000, 0.0043541200000000 ] - [ 0.0008890600000000, -0.0009937000000000, -0.0004953200000000 ] - [ 0.0007513100000000, 0.0006518600000000, -0.0005166100000000 ] - [ 0.0000674800000000, -0.0003178100000000, -0.0001030400000000 ] - [ 0.0006705300000000, 0.0001593200000000, -0.0000088000000000 ] - [ -0.0013458600000000, -0.0000001400000000, -0.0008924400000000 ] - [ 0.0013148500000000, -0.0003426200000000, 0.0008924500000000 ] - [ -0.0103098900000000, 0.0200177100000000, -0.0198268100000000 ] - [ 0.0028638900000000, -0.0002383900000000, 0.0022721300000000 ]- atom: 55 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ 0.0008261200000000, 0.0015525500000000, -0.0024416600000000 ] - [ 0.0018246700000000, -0.0011423700000000, 0.0012975300000000 ] - [ -0.0003630300000000, 0.0002484200000000, 0.0003477600000000 ] - [ 0.0000493900000000, -0.0003052200000000, 0.0005328300000000 ] - [ -0.0002085800000000, -0.0011692700000000, -0.0008278500000000 ] - [ 0.0003799000000000, 0.0009201300000000, 0.0003962300000000 ] - [ -0.0027744300000000, -0.0012043000000000, 0.0002269900000000 ] - [ 0.0006400900000000, 0.0002665100000000, 0.0005835500000000 ] - [ -0.0035674800000000, 0.0004831000000000, -0.0007082200000000 ] - [ 0.0021330100000000, 0.0000573000000000, 0.0000250100000000 ] - [ -0.0006285300000000, -0.0001953100000000, -0.0006938800000000 ] - [ 0.0006029400000000, 0.0000355500000000, 0.0002760700000000 ] - [ 0.0001506400000000, 0.0009346100000000, -0.0005704100000000 ] - [ 0.0003444500000000, -0.0011625600000000, 0.0005875100000000 ] - [ -0.0014490800000000, 0.0000571700000000, -0.0032804800000000 ] - [ 0.0014771300000000, -0.0001830700000000, 0.0015113300000000 ] - [ 0.0015588400000000, -0.0011140500000000, -0.0008730400000000 ] - [ 0.0014874100000000, 0.0016691900000000, 0.0023637900000000 ] - [ 0.0004429300000000, 0.0004072900000000, 0.0002079600000000 ] - [ 0.0000755900000000, -0.0004490600000000, 0.0008655400000000 ] - [ -0.0010354000000000, 0.0006066400000000, -0.0006252000000000 ] - [ 0.0011639800000000, -0.0005452800000000, 0.0005187400000000 ] - [ -0.0020159700000000, 0.0005952400000000, -0.0005378700000000 ] - [ 0.0012031200000000, -0.0002590900000000, 0.0004080300000000 ] - [ -0.1083567000000000, -0.0536578800000000, 0.0029848900000000 ] - [ 0.0061618300000000, -0.0015646200000000, 0.0010285200000000 ] - [ -0.1514059800000000, 0.0390793800000000, -0.0034425800000000 ] - [ 0.0065426000000000, 0.0024581700000000, 0.0006167800000000 ] - [ -0.0030499700000000, -0.0004778900000000, -0.0012923100000000 ] - [ 0.0016863000000000, 0.0004890700000000, 0.0012694000000000 ] - [ -0.0026193000000000, 0.0007637300000000, -0.0005772900000000 ] - [ 0.0016813100000000, -0.0007979300000000, 0.0006496900000000 ] - [ 0.0013394600000000, -0.0007179600000000, 0.0001500600000000 ] - [ -0.0006584900000000, 0.0020189500000000, -0.0000111500000000 ] - [ 0.0142611000000000, -0.0177518600000000, -0.0020510000000000 ] - [ 0.0188872000000000, 0.0029192800000000, 0.0049950200000000 ] - [ -0.0293996600000000, -0.0080208400000000, 0.0011568800000000 ] - [ 0.0040461700000000, 0.0011141900000000, 0.0011721900000000 ] - [ -0.0291586800000000, -0.0048206500000000, -0.0046250100000000 ] - [ 0.0042390900000000, -0.0005557600000000, 0.0026086300000000 ] - [ 0.0017287400000000, -0.0014905100000000, 0.0003256900000000 ] - [ -0.0005154900000000, 0.0000186100000000, 0.0000072600000000 ] - [ -0.0140088100000000, 0.0271470900000000, -0.0291860600000000 ] - [ -0.0028106900000000, -0.0006099600000000, 0.0008694500000000 ] - [ 0.0004167200000000, -0.0002576100000000, 0.0000484800000000 ] - [ -0.0003787400000000, -0.0001241600000000, -0.0004024300000000 ] - [ 0.0011554600000000, -0.0010841100000000, -0.0004678400000000 ] - [ -0.0007585900000000, 0.0004640400000000, -0.0002090700000000 ] - [ 0.0012945300000000, 0.0004830800000000, -0.0000889700000000 ] - [ -0.0006816100000000, -0.0000601400000000, -0.0004472500000000 ] - [ -0.0112718000000000, 0.0295646000000000, 0.0234799700000000 ] - [ -0.0033497100000000, -0.0012306500000000, -0.0022517700000000 ] - [ 0.0049659100000000, 0.0021435800000000, -0.0000626500000000 ] - [ -0.0009426300000000, -0.0000996000000000, -0.0005838000000000 ] - [ 0.4042656300000000, 0.0413467400000000, -0.0012126900000000 ] - [ -0.0043266600000000, 0.0002978000000000, -0.0004202100000000 ] - [ 0.0051105900000000, -0.0005207300000000, 0.0020074800000000 ] - [ -0.0014748400000000, 0.0005726400000000, -0.0015618800000000 ] - [ -0.0575356200000000, -0.0165451300000000, 0.0007631600000000 ] - [ -0.0078073800000000, -0.0002040500000000, -0.0006572500000000 ] - [ 0.0041273300000000, 0.0009499900000000, 0.0011788100000000 ] - [ -0.0011800400000000, -0.0002530600000000, -0.0008366100000000 ] - [ 0.0012213300000000, -0.0004601700000000, 0.0003452700000000 ] - [ -0.0007681300000000, 0.0004476800000000, -0.0009442200000000 ] - [ 0.0048178700000000, 0.0010535700000000, 0.0015767400000000 ] - [ -0.0011452700000000, 0.0002019300000000, -0.0004915400000000 ] - [ -0.0040004900000000, 0.0061623100000000, -0.0019206900000000 ] - [ -0.0053333100000000, -0.0029343500000000, 0.0021170800000000 ] - [ 0.0006372000000000, 0.0002477000000000, 0.0000843300000000 ] - [ -0.0004588500000000, 0.0000061400000000, -0.0007196100000000 ] - [ 0.0014291500000000, 0.0003389700000000, 0.0002660500000000 ] - [ -0.0011920300000000, 0.0007018000000000, -0.0001707400000000 ] - [ -0.0007475300000000, 0.0013084200000000, -0.0003455600000000 ] - [ -0.0002799700000000, -0.0008784900000000, -0.0003020800000000 ] - [ 0.0014237500000000, 0.0007893100000000, 0.0008465300000000 ] - [ -0.0007521400000000, -0.0005321100000000, -0.0005490300000000 ] - [ -0.0462149300000000, -0.0103137900000000, 0.0021996200000000 ] - [ -0.0077110600000000, 0.0035595400000000, -0.0005620400000000 ] - [ 0.0016784200000000, -0.0005467700000000, 0.0009552800000000 ] - [ -0.0012469400000000, 0.0002167300000000, -0.0012545800000000 ] - [ 0.0083149400000000, -0.0217266000000000, -0.0144116500000000 ] - [ -0.0024236800000000, 0.0003706200000000, 0.0004741100000000 ] - [ -0.0027800700000000, 0.0037394100000000, 0.0040494100000000 ] - [ -0.0045538400000000, -0.0020591700000000, -0.0032750000000000 ] - [ 0.0000185400000000, 0.0006720900000000, -0.0006282000000000 ] - [ 0.0001474400000000, -0.0009797400000000, -0.0006096000000000 ] - [ 0.0004133000000000, 0.0000574300000000, 0.0000333200000000 ] - [ -0.0002033500000000, -0.0004284000000000, -0.0000619200000000 ] - [ 0.0016136300000000, -0.0003776200000000, 0.0010365300000000 ] - [ -0.0010574400000000, -0.0000444100000000, -0.0007557800000000 ] - [ 0.0098175700000000, -0.0200258300000000, 0.0203454000000000 ] - [ -0.0032004300000000, 0.0003438600000000, -0.0018422000000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019538800000000, 0.0005316700000000, -0.0002826200000000 ] - [ 0.0009212500000000, 0.0001417700000000, 0.0000720700000000 ] - [ -0.0004982000000000, -0.0013255300000000, -0.0001192000000000 ] - [ 0.0001403300000000, -0.0009391700000000, 0.0004588100000000 ] - [ 0.0004249000000000, -0.0007567200000000, -0.0000485700000000 ] - [ -0.0002976200000000, -0.0004928700000000, -0.0003114000000000 ] - [ 0.0009719600000000, -0.0022375700000000, 0.0007718200000000 ] - [ -0.0004451400000000, -0.0000688500000000, 0.0002406000000000 ] - [ -0.0005621800000000, 0.0256393700000000, -0.0024331600000000 ] - [ -0.0000881500000000, 0.0000180100000000, -0.0003588200000000 ] - [ 0.0002408600000000, -0.0018593500000000, 0.0001311200000000 ] - [ -0.0001581500000000, -0.0004750600000000, -0.0002134800000000 ] - [ -0.0001715700000000, -0.0006361100000000, -0.0001978800000000 ] - [ 0.0005936000000000, -0.0008587100000000, 0.0001794300000000 ] - [ 0.0000997600000000, 0.0015159700000000, -0.0000969700000000 ] - [ -0.0000261500000000, 0.0003794000000000, -0.0000504400000000 ] - [ 0.0014004400000000, 0.0002403700000000, 0.0007348600000000 ] - [ -0.0019639600000000, 0.0004672700000000, -0.0003492700000000 ] - [ -0.0001011500000000, 0.0010105200000000, -0.0006502400000000 ] - [ 0.0006847900000000, 0.0009703700000000, 0.0009339600000000 ] - [ -0.0006970100000000, -0.0027844400000000, -0.0000830800000000 ] - [ -0.0004302100000000, -0.0011500900000000, -0.0000503100000000 ] - [ 0.0005186200000000, -0.0034420000000000, -0.0000634900000000 ] - [ -0.0001281600000000, -0.0009541900000000, -0.0001945300000000 ] - [ 0.0614865500000000, 0.1338291600000000, -0.0060981300000000 ] - [ -0.0011147100000000, 0.0009147600000000, 0.0000845500000000 ] - [ -0.0383377700000000, 0.0737097100000000, -0.0015964900000000 ] - [ 0.0002785400000000, 0.0015878700000000, -0.0001640200000000 ] - [ -0.0004320500000000, -0.0041799000000000, 0.0006002700000000 ] - [ -0.0005807300000000, -0.0010676300000000, -0.0000747100000000 ] - [ -0.0004733900000000, -0.0037957500000000, -0.0008682500000000 ] - [ -0.0000882000000000, -0.0011026600000000, 0.0000674600000000 ] - [ 0.0003130500000000, -0.0020921000000000, 0.0005391300000000 ] - [ -0.0005857800000000, -0.0025652500000000, 0.0003111300000000 ] - [ 0.0048830000000000, 0.0099047100000000, -0.0012365400000000 ] - [ -0.0070331000000000, 0.0015689100000000, -0.0025668600000000 ] - [ 0.0084237400000000, 0.0062704600000000, 0.0097219500000000 ] - [ -0.0003713300000000, 0.0010796700000000, -0.0009352900000000 ] - [ 0.0052645800000000, 0.0071155400000000, -0.0128333100000000 ] - [ 0.0001981900000000, 0.0002500500000000, 0.0006280900000000 ] - [ 0.0001691400000000, 0.0016245000000000, 0.0002593600000000 ] - [ 0.0001997200000000, 0.0002350400000000, 0.0001200700000000 ] - [ -0.0167591500000000, 0.0020768400000000, -0.0124740100000000 ] - [ 0.0000278000000000, -0.0004598400000000, 0.0007726700000000 ] - [ 0.0001729500000000, 0.0015857900000000, 0.0004130200000000 ] - [ -0.0000382300000000, 0.0004742200000000, -0.0000537800000000 ] - [ 0.0005099400000000, 0.0016852000000000, -0.0001276300000000 ] - [ 0.0000964500000000, 0.0004029500000000, -0.0004311100000000 ] - [ -0.0001281600000000, 0.0019365300000000, 0.0002032900000000 ] - [ 0.0002323100000000, 0.0007252600000000, 0.0000475600000000 ] - [ -0.0215954500000000, 0.0100146800000000, 0.0139588600000000 ] - [ -0.0000231700000000, -0.0007713100000000, -0.0003974500000000 ] - [ -0.0023321100000000, 0.0010525400000000, -0.0020766000000000 ] - [ 0.0005442500000000, -0.0002803400000000, 0.0007505300000000 ] - [ -0.0491184100000000, -0.2992619600000000, 0.0173180400000000 ] - [ 0.0003062200000000, -0.0000780200000000, -0.0000258100000000 ] - [ 0.0001095000000000, -0.0054262900000000, 0.0024603900000000 ] - [ -0.0002814900000000, -0.0006571700000000, -0.0001435800000000 ] - [ 0.0289356300000000, -0.0030576400000000, -0.0001800700000000 ] - [ -0.0019266800000000, -0.0027879900000000, -0.0000471200000000 ] - [ -0.0008547600000000, -0.0037528800000000, -0.0015578900000000 ] - [ 0.0002293000000000, -0.0006030600000000, 0.0005011000000000 ] - [ 0.0004647700000000, 0.0017961100000000, 0.0007126800000000 ] - [ 0.0000525200000000, 0.0004621300000000, -0.0005099000000000 ] - [ -0.0009230500000000, 0.0008334900000000, 0.0026040500000000 ] - [ -0.0001873800000000, -0.0001115600000000, -0.0000616400000000 ] - [ -0.0054946000000000, -0.0006828400000000, 0.0006549700000000 ] - [ 0.0024559600000000, 0.0009030900000000, -0.0001201000000000 ] - [ 0.0001523300000000, 0.0020847700000000, -0.0009137800000000 ] - [ 0.0001526600000000, 0.0006627100000000, -0.0004157400000000 ] - [ -0.0002625800000000, 0.0024267900000000, 0.0000028300000000 ] - [ 0.0001081000000000, 0.0011552200000000, 0.0000764600000000 ] - [ -0.0007170000000000, 0.0011987200000000, -0.0002433000000000 ] - [ 0.0003225800000000, 0.0012204700000000, 0.0000499800000000 ] - [ 0.0002597500000000, 0.0024923400000000, -0.0010142500000000 ] - [ 0.0004218900000000, 0.0006295000000000, 0.0002419100000000 ] - [ 0.0051142900000000, -0.0114506500000000, -0.0000210100000000 ] - [ 0.0026393800000000, -0.0033864800000000, 0.0002026000000000 ] - [ 0.0003727200000000, 0.0016859600000000, -0.0002070200000000 ] - [ 0.0001797100000000, 0.0004747700000000, -0.0000417300000000 ] - [ 0.0133224600000000, 0.0300957200000000, 0.0233544300000000 ] - [ -0.0000271200000000, -0.0005664700000000, -0.0002995900000000 ] - [ -0.0027399900000000, -0.0019289400000000, 0.0006566100000000 ] - [ 0.0011740100000000, -0.0000323300000000, 0.0020684600000000 ] - [ -0.0000255000000000, 0.0010663400000000, -0.0011819800000000 ] - [ 0.0010721300000000, 0.0010470200000000, -0.0007460200000000 ] - [ 0.0011211100000000, 0.0015616100000000, -0.0001149700000000 ] - [ 0.0007165800000000, 0.0014610600000000, -0.0001346800000000 ] - [ 0.0000478100000000, 0.0018278900000000, -0.0001049700000000 ] - [ 0.0001706500000000, 0.0003131500000000, -0.0001098000000000 ] - [ 0.0109188400000000, 0.0242151200000000, -0.0281450300000000 ] - [ 0.0003558100000000, -0.0004933600000000, 0.0008725000000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016556000000000, -0.0005880100000000, 0.0004103200000000 ] - [ -0.0012254100000000, -0.0001937600000000, 0.0000453100000000 ] - [ 0.0001809900000000, 0.0012459300000000, 0.0007433300000000 ] - [ -0.0004564900000000, 0.0008652100000000, 0.0001677900000000 ] - [ -0.0004163800000000, 0.0006905700000000, -0.0002503100000000 ] - [ 0.0003076800000000, 0.0004233700000000, 0.0000115000000000 ] - [ -0.0013383900000000, 0.0022925200000000, -0.0001125800000000 ] - [ 0.0000600700000000, 0.0001136200000000, 0.0004137000000000 ] - [ 0.0010354600000000, -0.0273214700000000, 0.0019516400000000 ] - [ 0.0004650900000000, 0.0000269400000000, -0.0002971600000000 ] - [ -0.0002384900000000, 0.0017258100000000, -0.0002722000000000 ] - [ 0.0001534600000000, 0.0003414400000000, 0.0000683500000000 ] - [ 0.0004655200000000, 0.0005797200000000, 0.0000776300000000 ] - [ -0.0003028300000000, 0.0008050200000000, -0.0003027300000000 ] - [ -0.0000962400000000, -0.0016534800000000, 0.0002522700000000 ] - [ 0.0000237900000000, -0.0005121700000000, 0.0001949700000000 ] - [ -0.0014157300000000, -0.0003041000000000, -0.0004316200000000 ] - [ 0.0019436400000000, -0.0005353200000000, 0.0006419900000000 ] - [ 0.0004173400000000, -0.0010903300000000, 0.0000234600000000 ] - [ -0.0003678800000000, -0.0010475700000000, -0.0015613900000000 ] - [ 0.0006218400000000, 0.0023561600000000, -0.0000056200000000 ] - [ 0.0003406700000000, 0.0007178100000000, -0.0000421400000000 ] - [ -0.0008709500000000, 0.0034492000000000, -0.0001172400000000 ] - [ -0.0002348600000000, 0.0009621900000000, 0.0000116500000000 ] - [ -0.0557711200000000, -0.1298363200000000, 0.0057181900000000 ] - [ 0.0011814500000000, -0.0013410100000000, 0.0000022400000000 ] - [ 0.0382006900000000, -0.0741794300000000, 0.0017219100000000 ] - [ 0.0000651100000000, -0.0015859400000000, 0.0003439200000000 ] - [ -0.0003756700000000, 0.0038467600000000, -0.0005440700000000 ] - [ -0.0002385900000000, 0.0007305300000000, 0.0001292600000000 ] - [ 0.0002000400000000, 0.0034638200000000, 0.0007827200000000 ] - [ -0.0002001100000000, 0.0007633800000000, -0.0001628500000000 ] - [ -0.0006461400000000, 0.0030908800000000, -0.0003487400000000 ] - [ 0.0002513900000000, 0.0035450200000000, -0.0001191800000000 ] - [ -0.0045679900000000, -0.0088642900000000, 0.0010407400000000 ] - [ 0.0072592500000000, -0.0005936500000000, 0.0023633100000000 ] - [ -0.0074421600000000, -0.0064995800000000, -0.0098630400000000 ] - [ 0.0011749000000000, -0.0014121300000000, 0.0008697800000000 ] - [ -0.0048352300000000, -0.0073129600000000, 0.0129974400000000 ] - [ 0.0000727800000000, -0.0005857700000000, -0.0005423400000000 ] - [ 0.0013633500000000, -0.0026630700000000, 0.0001164600000000 ] - [ 0.0013377700000000, -0.0012784100000000, 0.0002569000000000 ] - [ 0.0163102300000000, -0.0017495000000000, 0.0128327800000000 ] - [ -0.0003776600000000, 0.0009552600000000, -0.0003940000000000 ] - [ -0.0002154800000000, -0.0018968500000000, -0.0006869400000000 ] - [ 0.0000002300000000, -0.0007821800000000, -0.0002174100000000 ] - [ -0.0002054000000000, -0.0018239700000000, -0.0003361900000000 ] - [ 0.0002171600000000, -0.0005410900000000, -0.0000323400000000 ] - [ 0.0004804600000000, -0.0014426200000000, -0.0005804500000000 ] - [ 0.0001215400000000, -0.0002293900000000, -0.0004253700000000 ] - [ 0.0210440700000000, -0.0104116000000000, -0.0139324900000000 ] - [ -0.0002307100000000, 0.0003891600000000, 0.0002642900000000 ] - [ 0.0019811300000000, -0.0006276100000000, 0.0019947400000000 ] - [ -0.0008562800000000, 0.0007165400000000, -0.0008326100000000 ] - [ 0.0434404900000000, 0.2971812700000000, -0.0172010800000000 ] - [ -0.0002783000000000, 0.0012569500000000, -0.0000774000000000 ] - [ -0.0000868600000000, 0.0050919300000000, -0.0022202600000000 ] - [ 0.0003259600000000, 0.0003465000000000, 0.0004219400000000 ] - [ -0.0304784300000000, 0.0020732900000000, -0.0001603500000000 ] - [ 0.0004107400000000, 0.0017407100000000, -0.0003266300000000 ] - [ 0.0007045200000000, 0.0040592300000000, 0.0022696400000000 ] - [ -0.0003544300000000, 0.0009202600000000, 0.0002063600000000 ] - [ -0.0002627800000000, -0.0016869400000000, -0.0011610200000000 ] - [ 0.0001555100000000, -0.0003508600000000, 0.0000695000000000 ] - [ 0.0006881100000000, -0.0007345000000000, -0.0021672700000000 ] - [ -0.0000150800000000, 0.0002213600000000, 0.0005063200000000 ] - [ 0.0057298100000000, 0.0008974000000000, 0.0001253400000000 ] - [ -0.0022172200000000, -0.0006752600000000, 0.0008887000000000 ] - [ -0.0000256300000000, -0.0017667700000000, 0.0002086600000000 ] - [ -0.0000231600000000, -0.0003444300000000, -0.0002875700000000 ] - [ 0.0002387200000000, -0.0012510800000000, 0.0001012400000000 ] - [ -0.0001212200000000, 0.0000227000000000, 0.0000295100000000 ] - [ 0.0004897100000000, -0.0009826700000000, -0.0005297200000000 ] - [ -0.0005493900000000, -0.0009946200000000, -0.0008239200000000 ] - [ 0.0000554900000000, -0.0020563400000000, 0.0011060200000000 ] - [ -0.0001041200000000, -0.0001900900000000, -0.0001526400000000 ] - [ -0.0054529300000000, 0.0111253600000000, 0.0001020200000000 ] - [ -0.0030996400000000, 0.0031220500000000, -0.0001311200000000 ] - [ -0.0000522100000000, -0.0015874600000000, -0.0002354000000000 ] - [ 0.0001522700000000, -0.0003763800000000, -0.0003952200000000 ] - [ -0.0132876600000000, -0.0296170700000000, -0.0223613100000000 ] - [ -0.0002788900000000, 0.0004261900000000, 0.0007643800000000 ] - [ 0.0018385700000000, 0.0015967800000000, 0.0004626600000000 ] - [ -0.0020692800000000, -0.0002860400000000, -0.0009344200000000 ] - [ 0.0009323300000000, -0.0013946700000000, 0.0000547900000000 ] - [ -0.0001605100000000, -0.0013660600000000, -0.0003797300000000 ] - [ -0.0006523900000000, -0.0018303800000000, 0.0000430800000000 ] - [ -0.0002384400000000, -0.0017214000000000, 0.0000637100000000 ] - [ 0.0002111300000000, -0.0022146200000000, 0.0002397000000000 ] - [ 0.0000948900000000, -0.0006970000000000, 0.0002510300000000 ] - [ -0.0109935800000000, -0.0237416200000000, 0.0280179200000000 ] - [ -0.0006725900000000, 0.0005910200000000, -0.0004250100000000 ]- atom: 55 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ 0.0017776300000000, 0.0003666500000000, -0.0020651400000000 ] - [ -0.0007062100000000, -0.0001802700000000, 0.0005602100000000 ] - [ -0.0004258300000000, -0.0003856200000000, -0.0000617800000000 ] - [ -0.0004057100000000, 0.0003386200000000, 0.0001948600000000 ] - [ 0.0001122500000000, -0.0005784300000000, -0.0005528600000000 ] - [ 0.0000149700000000, 0.0003323400000000, 0.0000764500000000 ] - [ -0.0013067600000000, -0.0001384400000000, 0.0024227100000000 ] - [ 0.0000247700000000, 0.0001195900000000, 0.0002616000000000 ] - [ -0.0011527700000000, -0.0019411400000000, 0.0006311300000000 ] - [ 0.0008773500000000, 0.0000066600000000, -0.0002882200000000 ] - [ 0.0005219300000000, 0.0000682100000000, -0.0009329500000000 ] - [ -0.0000440200000000, -0.0000387000000000, 0.0000059300000000 ] - [ 0.0002310400000000, 0.0003091800000000, -0.0004435200000000 ] - [ 0.0000783700000000, -0.0003480100000000, 0.0001897400000000 ] - [ 0.0013850700000000, -0.0000012600000000, -0.0032205100000000 ] - [ 0.0002492300000000, -0.0001761100000000, 0.0006275500000000 ] - [ 0.0019000300000000, -0.0003729200000000, -0.0013041200000000 ] - [ -0.0006748500000000, 0.0007075900000000, 0.0010772200000000 ] - [ -0.0003401600000000, -0.0005379700000000, -0.0008387400000000 ] - [ -0.0008616600000000, 0.0006456300000000, -0.0009922200000000 ] - [ -0.0002410500000000, 0.0001027300000000, 0.0003796100000000 ] - [ 0.0002455500000000, -0.0003522500000000, 0.0000472100000000 ] - [ -0.0007444200000000, 0.0001132300000000, 0.0004423400000000 ] - [ 0.0001602400000000, 0.0000122500000000, -0.0000787800000000 ] - [ -0.0504686500000000, -0.0287813600000000, 0.0438719000000000 ] - [ 0.0023133900000000, -0.0008240400000000, -0.0000643500000000 ] - [ -0.0588861400000000, 0.0142851700000000, 0.0402528600000000 ] - [ 0.0025471000000000, 0.0010191600000000, -0.0003174100000000 ] - [ -0.0009382200000000, 0.0006373700000000, 0.0002971900000000 ] - [ 0.0001180700000000, 0.0000080200000000, 0.0002075500000000 ] - [ -0.0011353300000000, -0.0009477900000000, 0.0007762800000000 ] - [ 0.0003907000000000, -0.0003240400000000, -0.0001508400000000 ] - [ 0.0001550800000000, 0.0003034400000000, 0.0009140900000000 ] - [ -0.0001485000000000, 0.0008121000000000, 0.0010144300000000 ] - [ 0.0058555900000000, -0.0082220000000000, 0.0017295300000000 ] - [ 0.0088445800000000, 0.0014383500000000, 0.0018795300000000 ] - [ -0.0134530400000000, 0.0011171700000000, -0.0104015800000000 ] - [ 0.0009825100000000, 0.0003968300000000, -0.0006945300000000 ] - [ -0.0095911600000000, -0.0099876100000000, -0.0094439900000000 ] - [ 0.0010648700000000, 0.0000691000000000, -0.0000888400000000 ] - [ 0.0008987200000000, -0.0008446600000000, -0.0002360800000000 ] - [ 0.0005114700000000, -0.0004710600000000, 0.0000456600000000 ] - [ 0.0163947000000000, -0.0059133500000000, -0.0017511000000000 ] - [ -0.0010246500000000, -0.0001793800000000, 0.0010467200000000 ] - [ 0.0001486700000000, 0.0000042700000000, -0.0001382100000000 ] - [ -0.0000472500000000, -0.0000863300000000, -0.0001108600000000 ] - [ 0.0006714700000000, -0.0001871700000000, -0.0008030500000000 ] - [ -0.0001749300000000, 0.0001305100000000, -0.0000969500000000 ] - [ 0.0005874400000000, 0.0000879900000000, -0.0006348900000000 ] - [ -0.0000666000000000, 0.0001445000000000, -0.0001659200000000 ] - [ -0.0232121900000000, 0.0294832100000000, 0.0132417900000000 ] - [ -0.0010328100000000, -0.0005617700000000, -0.0004203500000000 ] - [ 0.0024921200000000, -0.0012889400000000, 0.0023334100000000 ] - [ -0.0000000600000000, 0.0000606100000000, 0.0002359500000000 ] - [ 0.1714218000000000, 0.0347172200000000, -0.0983025100000000 ] - [ -0.0014945400000000, 0.0004881300000000, 0.0000487500000000 ] - [ 0.0009830300000000, 0.0027774300000000, 0.0077506700000000 ] - [ 0.0000964400000000, -0.0000141800000000, 0.0001755800000000 ] - [ -0.0289477900000000, -0.0082221800000000, -0.0049654600000000 ] - [ -0.0035116900000000, -0.0001064200000000, -0.0005353500000000 ] - [ 0.0012703100000000, 0.0001184700000000, 0.0047612300000000 ] - [ 0.0000481700000000, 0.0000689500000000, 0.0003051900000000 ] - [ 0.0004968900000000, 0.0010066900000000, 0.0002105300000000 ] - [ -0.0000866200000000, 0.0000876000000000, -0.0003492700000000 ] - [ 0.0008571000000000, 0.0027948000000000, 0.0028021600000000 ] - [ -0.0001102500000000, -0.0000203600000000, 0.0002611500000000 ] - [ 0.0002257600000000, 0.0022743700000000, -0.0017901600000000 ] - [ -0.0022553800000000, -0.0010752200000000, 0.0013603700000000 ] - [ 0.0000258300000000, 0.0000309700000000, -0.0001507000000000 ] - [ 0.0000042900000000, 0.0000571400000000, -0.0004081500000000 ] - [ 0.0004063800000000, 0.0005262600000000, -0.0002431400000000 ] - [ -0.0003077400000000, 0.0006152200000000, 0.0000369200000000 ] - [ 0.0000008300000000, 0.0000610700000000, -0.0009500800000000 ] - [ -0.0004326800000000, -0.0004208300000000, -0.0004597200000000 ] - [ 0.0004307600000000, -0.0006727300000000, 0.0005557200000000 ] - [ -0.0000230700000000, 0.0000594200000000, -0.0000734400000000 ] - [ -0.0201734900000000, -0.0042889000000000, -0.0041712600000000 ] - [ -0.0034598900000000, 0.0015772600000000, -0.0003746900000000 ] - [ 0.0003871300000000, -0.0004511100000000, -0.0002479300000000 ] - [ -0.0001673700000000, 0.0001341900000000, -0.0004285500000000 ] - [ 0.0125210300000000, 0.0139309100000000, -0.0025966800000000 ] - [ -0.0010276700000000, 0.0001466100000000, 0.0008074000000000 ] - [ -0.0027102200000000, 0.0016156200000000, 0.0014265100000000 ] - [ -0.0023229100000000, -0.0010033100000000, -0.0015576800000000 ] - [ -0.0000873700000000, 0.0003821600000000, -0.0007105400000000 ] - [ 0.0007068800000000, -0.0000510400000000, -0.0009293300000000 ] - [ 0.0002591000000000, -0.0002380200000000, -0.0001983100000000 ] - [ 0.0001168700000000, -0.0001354400000000, -0.0001550200000000 ] - [ 0.0004944100000000, 0.0000892200000000, -0.0001103100000000 ] - [ -0.0001821000000000, -0.0002204000000000, -0.0000462400000000 ] - [ -0.0071096400000000, -0.0362211400000000, 0.0208401100000000 ] - [ -0.0008145500000000, 0.0001317000000000, -0.0000534400000000 ]- atom: 55 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ -0.0020738200000000, -0.0004267100000000, 0.0021865900000000 ] - [ 0.0004051900000000, 0.0001266800000000, -0.0004364300000000 ] - [ 0.0001074600000000, 0.0003112600000000, 0.0006904400000000 ] - [ 0.0000888700000000, -0.0004136900000000, 0.0004317400000000 ] - [ -0.0001028700000000, 0.0005131700000000, 0.0002538800000000 ] - [ -0.0000055700000000, -0.0003993100000000, -0.0003740400000000 ] - [ 0.0009245600000000, 0.0001896300000000, -0.0017652300000000 ] - [ -0.0004064100000000, -0.0000738600000000, 0.0003938200000000 ] - [ 0.0015389500000000, 0.0020830100000000, -0.0013117800000000 ] - [ -0.0004966800000000, 0.0000393700000000, -0.0003671100000000 ] - [ -0.0005218900000000, -0.0002036600000000, 0.0007921200000000 ] - [ 0.0000421000000000, -0.0000938300000000, -0.0001493000000000 ] - [ 0.0000612700000000, -0.0003635800000000, 0.0003214300000000 ] - [ 0.0002129900000000, 0.0002931200000000, -0.0003124700000000 ] - [ -0.0013836900000000, -0.0001257500000000, 0.0033739400000000 ] - [ -0.0002485400000000, 0.0000415700000000, -0.0004779400000000 ] - [ -0.0019062700000000, 0.0003039300000000, 0.0016014100000000 ] - [ 0.0006750000000000, -0.0007777400000000, -0.0007787300000000 ] - [ 0.0006590800000000, 0.0004609400000000, 0.0002092400000000 ] - [ 0.0011742800000000, -0.0007214300000000, 0.0003700700000000 ] - [ 0.0001577600000000, -0.0005330200000000, -0.0004679700000000 ] - [ -0.0003310400000000, -0.0000775000000000, -0.0001387200000000 ] - [ 0.0003857200000000, -0.0001057300000000, -0.0006240600000000 ] - [ -0.0005182800000000, -0.0000058600000000, -0.0001031400000000 ] - [ 0.0513335500000000, 0.0291778100000000, -0.0432311400000000 ] - [ -0.0022286400000000, 0.0003926800000000, 0.0001561000000000 ] - [ 0.0577964400000000, -0.0139136100000000, -0.0407031400000000 ] - [ -0.0021919200000000, -0.0010145500000000, 0.0004974800000000 ] - [ 0.0001244500000000, -0.0009683000000000, -0.0002373700000000 ] - [ -0.0009323900000000, -0.0003421000000000, -0.0001511300000000 ] - [ 0.0008554500000000, 0.0006112800000000, -0.0008710200000000 ] - [ -0.0006745200000000, -0.0000125300000000, 0.0000582100000000 ] - [ -0.0004828900000000, 0.0006860700000000, -0.0007206900000000 ] - [ -0.0001833900000000, 0.0001796200000000, -0.0008338300000000 ] - [ -0.0055447200000000, 0.0091984200000000, -0.0019416500000000 ] - [ -0.0085681800000000, -0.0004645800000000, -0.0020781600000000 ] - [ 0.0143908300000000, -0.0014733500000000, 0.0102760000000000 ] - [ -0.0001729200000000, -0.0007357700000000, 0.0006405700000000 ] - [ 0.0097786800000000, 0.0095379700000000, 0.0096026700000000 ] - [ -0.0007824100000000, -0.0004061900000000, 0.0001763700000000 ] - [ 0.0006359400000000, -0.0001961800000000, 0.0006142600000000 ] - [ 0.0010206700000000, -0.0005691500000000, 0.0003292800000000 ] - [ -0.0166852700000000, 0.0062961600000000, 0.0023185300000000 ] - [ 0.0006732300000000, 0.0006773800000000, -0.0006672700000000 ] - [ -0.0001907100000000, -0.0003139600000000, -0.0001337400000000 ] - [ 0.0000066100000000, -0.0002244100000000, -0.0001624700000000 ] - [ -0.0003625300000000, 0.0000486000000000, 0.0003395900000000 ] - [ 0.0004864500000000, -0.0002711200000000, -0.0003665000000000 ] - [ -0.0002325500000000, 0.0004078100000000, 0.0002552900000000 ] - [ 0.0004182900000000, 0.0003519300000000, -0.0002124900000000 ] - [ 0.0225621100000000, -0.0293815100000000, -0.0133330100000000 ] - [ 0.0007729500000000, 0.0001793400000000, 0.0002852100000000 ] - [ -0.0028347600000000, 0.0017225000000000, -0.0024122200000000 ] - [ -0.0003180600000000, 0.0003786700000000, -0.0003264400000000 ] - [ -0.1704431200000000, -0.0357281300000000, 0.0982569500000000 ] - [ 0.0015124600000000, 0.0006891100000000, -0.0001525000000000 ] - [ -0.0009305300000000, -0.0030177700000000, -0.0073722200000000 ] - [ -0.0000540400000000, -0.0002944300000000, 0.0001015300000000 ] - [ 0.0272204200000000, 0.0071517200000000, 0.0044824900000000 ] - [ 0.0019807800000000, -0.0009319000000000, 0.0001627300000000 ] - [ -0.0014211000000000, 0.0002242400000000, -0.0040719300000000 ] - [ -0.0001755000000000, 0.0002510100000000, 0.0003964100000000 ] - [ -0.0002949800000000, -0.0009029900000000, -0.0006497800000000 ] - [ 0.0002924200000000, 0.0000169000000000, -0.0000907300000000 ] - [ -0.0010449500000000, -0.0026806500000000, -0.0023764800000000 ] - [ -0.0000957700000000, 0.0001257700000000, 0.0001814700000000 ] - [ -0.0000022300000000, -0.0020478000000000, 0.0025762700000000 ] - [ 0.0024788400000000, 0.0012959700000000, -0.0005857300000000 ] - [ 0.0001018600000000, 0.0002861900000000, -0.0005528900000000 ] - [ 0.0001231300000000, 0.0002603500000000, -0.0002946100000000 ] - [ -0.0004252500000000, 0.0006488600000000, 0.0003473700000000 ] - [ 0.0002896900000000, 0.0005602100000000, 0.0000684900000000 ] - [ -0.0002295800000000, 0.0001609700000000, 0.0001744400000000 ] - [ 0.0002062000000000, 0.0006453400000000, -0.0003115900000000 ] - [ -0.0001113200000000, 0.0011055400000000, -0.0004672000000000 ] - [ 0.0003403900000000, 0.0003776600000000, 0.0001616700000000 ] - [ 0.0198551500000000, 0.0041338600000000, 0.0043494800000000 ] - [ 0.0029845700000000, -0.0018358300000000, 0.0004447600000000 ] - [ -0.0000614300000000, 0.0005489400000000, -0.0001941500000000 ] - [ 0.0004960200000000, -0.0000370100000000, -0.0000115200000000 ] - [ -0.0127966300000000, -0.0141781800000000, 0.0029083200000000 ] - [ 0.0007135000000000, -0.0002871300000000, -0.0003411700000000 ] - [ 0.0018223800000000, -0.0019427000000000, -0.0002918800000000 ] - [ 0.0014117400000000, 0.0006777700000000, 0.0026747300000000 ] - [ 0.0009902000000000, -0.0007023600000000, -0.0004185100000000 ] - [ 0.0001977100000000, -0.0002759000000000, -0.0001934900000000 ] - [ 0.0002122900000000, -0.0000250100000000, 0.0001258900000000 ] - [ 0.0003569200000000, -0.0001284900000000, 0.0000854200000000 ] - [ -0.0002336600000000, -0.0004736000000000, 0.0002496000000000 ] - [ 0.0004433300000000, -0.0001632300000000, 0.0001853600000000 ] - [ 0.0068934400000000, 0.0369249200000000, -0.0205357100000000 ] - [ 0.0004887100000000, -0.0000321700000000, 0.0004936700000000 ]- atom: 61 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ -0.0024236400000000, -0.0012094500000000, -0.0008570700000000 ] - [ -0.0017252300000000, 0.0008722700000000, 0.0003956500000000 ] - [ -0.0005466000000000, -0.0003938600000000, 0.0001260300000000 ] - [ -0.0005062500000000, 0.0007308300000000, 0.0001929500000000 ] - [ -0.0000727400000000, 0.0004478700000000, -0.0002243900000000 ] - [ -0.0000502100000000, -0.0002953000000000, -0.0001167700000000 ] - [ 0.0011516100000000, 0.0000800400000000, 0.0015576500000000 ] - [ -0.0006508500000000, 0.0001899000000000, -0.0000456400000000 ] - [ 0.0006937100000000, 0.0003720900000000, -0.0001666100000000 ] - [ -0.0002334500000000, -0.0001803500000000, -0.0006006200000000 ] - [ 0.0012291900000000, -0.0001579500000000, -0.0002656400000000 ] - [ -0.0004810500000000, 0.0000850700000000, -0.0001715400000000 ] - [ 0.0004924600000000, -0.0001161600000000, 0.0000921600000000 ] - [ -0.0001220300000000, 0.0001452000000000, -0.0002201300000000 ] - [ 0.0073166000000000, -0.0038856300000000, 0.0004031700000000 ] - [ -0.0008842200000000, -0.0004708200000000, -0.0000696400000000 ] - [ 0.0031723400000000, -0.0005343000000000, 0.0004356100000000 ] - [ -0.0010135500000000, -0.0001836200000000, -0.0002367400000000 ] - [ 0.0052109700000000, 0.0013754400000000, -0.0002016300000000 ] - [ -0.0007381900000000, 0.0004312100000000, -0.0005252900000000 ] - [ 0.0006698300000000, 0.0000149800000000, 0.0004972700000000 ] - [ -0.0007419900000000, -0.0002389100000000, -0.0004909000000000 ] - [ 0.0005229400000000, -0.0001057200000000, 0.0002811400000000 ] - [ -0.0006908000000000, 0.0002234200000000, -0.0003921800000000 ] - [ -0.0001956900000000, 0.0058162000000000, -0.0057036300000000 ] - [ -0.0007417800000000, -0.0005518800000000, -0.0015122900000000 ] - [ 0.0059814900000000, -0.0052651500000000, 0.0116750200000000 ] - [ -0.0015957400000000, -0.0010637500000000, -0.0011935700000000 ] - [ 0.0003176700000000, 0.0007810500000000, 0.0009467100000000 ] - [ -0.0010588700000000, -0.0006906900000000, -0.0007638400000000 ] - [ 0.0007421500000000, 0.0004264400000000, 0.0003943500000000 ] - [ -0.0009137200000000, -0.0000987200000000, -0.0003822900000000 ] - [ -0.0004187100000000, 0.0014999700000000, 0.0006742200000000 ] - [ -0.0004254300000000, -0.0003175600000000, -0.0004533700000000 ] - [ -0.0023288300000000, 0.0012608500000000, -0.0026220800000000 ] - [ 0.0010951600000000, 0.0000165200000000, 0.0011540500000000 ] - [ 0.0710544600000000, -0.0456663500000000, -0.0384555200000000 ] - [ -0.0016228700000000, -0.0001176500000000, -0.0010426500000000 ] - [ 0.0020269800000000, -0.0034746200000000, 0.0051984700000000 ] - [ -0.0025411500000000, 0.0030671300000000, -0.0036855700000000 ] - [ 0.0006229500000000, -0.0001040400000000, 0.0001669000000000 ] - [ 0.0011163100000000, -0.0008700300000000, 0.0001756800000000 ] - [ 0.0016390200000000, -0.0054126000000000, -0.0275890500000000 ] - [ 0.0008592000000000, 0.0002981600000000, 0.0007925000000000 ] - [ -0.0003155300000000, -0.0008993100000000, -0.0003821200000000 ] - [ 0.0002650500000000, -0.0000889800000000, 0.0000288100000000 ] - [ -0.0003070400000000, -0.0000732700000000, -0.0002780100000000 ] - [ 0.0005702400000000, -0.0002128100000000, -0.0001308500000000 ] - [ 0.0000259300000000, -0.0000164800000000, -0.0005661400000000 ] - [ 0.0003385900000000, 0.0003828700000000, 0.0000801000000000 ] - [ -0.0016163200000000, -0.0007767400000000, -0.0078105500000000 ] - [ 0.0013733100000000, 0.0000087200000000, 0.0018383600000000 ] - [ -0.0120373700000000, -0.0117653700000000, -0.0051466900000000 ] - [ 0.0005981500000000, 0.0000674100000000, 0.0003585000000000 ] - [ -0.0041627100000000, -0.0001873800000000, -0.0005247600000000 ] - [ 0.0011234500000000, 0.0008793900000000, 0.0005921800000000 ] - [ 0.0032568300000000, 0.0015139600000000, -0.0023962100000000 ] - [ 0.0038673100000000, -0.0017798300000000, 0.0022805500000000 ] - [ -0.0016571500000000, 0.0001061400000000, -0.0022785100000000 ] - [ 0.0012820400000000, 0.0001924500000000, 0.0004420800000000 ] - [ -0.0786128500000000, 0.0571683900000000, 0.0489939800000000 ] - [ 0.0008932100000000, 0.0002444600000000, 0.0007550900000000 ] - [ -0.0013258600000000, -0.0003860100000000, -0.0003228700000000 ] - [ 0.0005232700000000, 0.0000175800000000, -0.0000285900000000 ] - [ -0.0002939100000000, 0.0015729100000000, -0.0005870000000000 ] - [ 0.0006749100000000, -0.0010911800000000, 0.0006299500000000 ] - [ 0.0003592000000000, -0.0003842700000000, 0.0011662500000000 ] - [ -0.0004022200000000, 0.0005978000000000, 0.0004653900000000 ] - [ -0.0001859700000000, 0.0000102400000000, -0.0004324500000000 ] - [ 0.0002807000000000, 0.0001961300000000, -0.0002236000000000 ] - [ -0.0005814600000000, 0.0004953400000000, -0.0002590700000000 ] - [ 0.0005140900000000, 0.0004972800000000, 0.0002313900000000 ] - [ 0.0001731600000000, -0.0006478900000000, -0.0008637900000000 ] - [ 0.0002299800000000, 0.0006272300000000, 0.0000132000000000 ] - [ 0.0002465100000000, -0.0008057100000000, -0.0003727300000000 ] - [ 0.0005452200000000, 0.0009623300000000, 0.0003699100000000 ] - [ 0.0011566700000000, -0.0013857100000000, 0.0009561700000000 ] - [ -0.0001017100000000, 0.0001978700000000, 0.0000763800000000 ] - [ -0.0004207000000000, -0.0002011400000000, -0.0008813400000000 ] - [ 0.0007442600000000, 0.0001642100000000, 0.0003594600000000 ] - [ -0.0005655200000000, 0.0001595900000000, 0.0020418200000000 ] - [ 0.0003853500000000, -0.0003157400000000, 0.0016127500000000 ] - [ 0.0008579000000000, -0.0010127800000000, 0.0022850100000000 ] - [ -0.0001491600000000, 0.0002557600000000, 0.0000214100000000 ] - [ 0.0001201200000000, -0.0004168900000000, -0.0006195900000000 ] - [ 0.0008151500000000, 0.0000018800000000, -0.0002674100000000 ] - [ -0.0001858700000000, -0.0006628900000000, -0.0001798700000000 ] - [ 0.0006428600000000, 0.0001986200000000, 0.0001043600000000 ] - [ -0.0003811700000000, -0.0002315500000000, -0.0003239100000000 ] - [ 0.0005578900000000, -0.0002923200000000, 0.0004181100000000 ] - [ -0.0032719200000000, 0.0104359400000000, 0.0203335200000000 ] - [ 0.0009616800000000, -0.0000498000000000, 0.0012504900000000 ]- atom: 61 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ 0.0021304500000000, 0.0011432800000000, 0.0009668500000000 ] - [ 0.0014274400000000, -0.0009390400000000, -0.0002786900000000 ] - [ 0.0002293800000000, 0.0003165100000000, 0.0004999600000000 ] - [ 0.0001743900000000, -0.0007944300000000, 0.0004255100000000 ] - [ 0.0000826000000000, -0.0005122600000000, -0.0000746000000000 ] - [ 0.0000600400000000, 0.0002321500000000, -0.0001830300000000 ] - [ -0.0015338000000000, -0.0000297100000000, -0.0008820600000000 ] - [ 0.0002704300000000, -0.0001463600000000, 0.0007011200000000 ] - [ -0.0003121300000000, -0.0003253100000000, -0.0004880200000000 ] - [ 0.0006162900000000, 0.0002288300000000, -0.0000537200000000 ] - [ -0.0012163000000000, 0.0000315900000000, 0.0001174800000000 ] - [ 0.0004777800000000, -0.0002198500000000, 0.0000273700000000 ] - [ -0.0002002600000000, 0.0000680900000000, -0.0002151200000000 ] - [ 0.0004140600000000, -0.0001978400000000, 0.0000980700000000 ] - [ -0.0070392500000000, 0.0034141100000000, -0.0002881000000000 ] - [ 0.0008907300000000, 0.0003388400000000, 0.0002175700000000 ] - [ -0.0031722300000000, 0.0004423500000000, -0.0001476000000000 ] - [ 0.0010058200000000, 0.0001126100000000, 0.0005373600000000 ] - [ -0.0050806300000000, -0.0016756200000000, -0.0004815200000000 ] - [ 0.0010532600000000, -0.0005034400000000, -0.0001007000000000 ] - [ -0.0007524500000000, -0.0004376000000000, -0.0005857000000000 ] - [ 0.0006587400000000, -0.0001889600000000, 0.0003999500000000 ] - [ -0.0008776900000000, 0.0001186800000000, -0.0004597100000000 ] - [ 0.0003296500000000, -0.0002114600000000, 0.0002099500000000 ] - [ 0.0002918300000000, -0.0062901100000000, 0.0058609400000000 ] - [ 0.0008277000000000, 0.0001174100000000, 0.0016067300000000 ] - [ -0.0056352700000000, 0.0052700800000000, -0.0114551700000000 ] - [ 0.0019569500000000, 0.0010703300000000, 0.0013772500000000 ] - [ -0.0011299600000000, -0.0011083200000000, -0.0008852100000000 ] - [ 0.0002447700000000, 0.0003658600000000, 0.0008220000000000 ] - [ -0.0010213400000000, -0.0007478300000000, -0.0004826500000000 ] - [ 0.0006313400000000, -0.0002351600000000, 0.0002877300000000 ] - [ 0.0000805700000000, -0.0004961500000000, -0.0004853500000000 ] - [ 0.0001043400000000, 0.0013099400000000, 0.0006455900000000 ] - [ 0.0026627700000000, -0.0002854000000000, 0.0024216600000000 ] - [ -0.0007716200000000, 0.0009687900000000, -0.0013338500000000 ] - [ -0.0692974100000000, 0.0442457600000000, 0.0374289100000000 ] - [ 0.0024362000000000, -0.0002244400000000, 0.0009845300000000 ] - [ -0.0017698000000000, 0.0030980000000000, -0.0050498500000000 ] - [ 0.0028300100000000, -0.0034422900000000, 0.0037936500000000 ] - [ 0.0009063800000000, -0.0009401800000000, 0.0002058800000000 ] - [ 0.0004261100000000, -0.0001754900000000, 0.0002004500000000 ] - [ -0.0020185100000000, 0.0059720100000000, 0.0282732500000000 ] - [ -0.0012130400000000, 0.0002000400000000, -0.0004141700000000 ] - [ 0.0002736900000000, 0.0005769700000000, 0.0001067600000000 ] - [ -0.0003053700000000, -0.0002238500000000, -0.0003032500000000 ] - [ 0.0006183000000000, -0.0000710700000000, -0.0001860300000000 ] - [ -0.0002585600000000, 0.0000712900000000, -0.0003322900000000 ] - [ 0.0003285900000000, 0.0005095200000000, 0.0001835300000000 ] - [ 0.0000154600000000, 0.0001100900000000, -0.0004600200000000 ] - [ 0.0013573900000000, 0.0004008400000000, 0.0076513400000000 ] - [ -0.0016379200000000, -0.0003877100000000, -0.0019827700000000 ] - [ 0.0118505600000000, 0.0121990300000000, 0.0049848100000000 ] - [ -0.0009157800000000, 0.0003747300000000, -0.0004470600000000 ] - [ 0.0041890000000000, 0.0013726700000000, 0.0004029300000000 ] - [ -0.0011065500000000, 0.0002990800000000, -0.0006983200000000 ] - [ -0.0031610700000000, -0.0018079100000000, 0.0026381600000000 ] - [ -0.0038650100000000, 0.0014850700000000, -0.0020220700000000 ] - [ 0.0001337400000000, -0.0011401500000000, 0.0018952600000000 ] - [ -0.0028174000000000, -0.0012304100000000, -0.0008171800000000 ] - [ 0.0773236400000000, -0.0552780400000000, -0.0475705500000000 ] - [ -0.0010210300000000, 0.0000754600000000, -0.0000516400000000 ] - [ 0.0015315600000000, 0.0004868400000000, -0.0001160300000000 ] - [ -0.0003175100000000, 0.0000856900000000, -0.0004110200000000 ] - [ 0.0000928200000000, -0.0014505000000000, 0.0010226800000000 ] - [ -0.0008770800000000, 0.0012119000000000, -0.0001850300000000 ] - [ -0.0001318300000000, 0.0006087100000000, -0.0003912100000000 ] - [ 0.0006309600000000, -0.0003794500000000, 0.0003010300000000 ] - [ 0.0003125200000000, 0.0003050400000000, -0.0002707500000000 ] - [ -0.0001510200000000, 0.0001165200000000, -0.0004774600000000 ] - [ 0.0005628300000000, 0.0006739400000000, 0.0003608500000000 ] - [ -0.0005300500000000, 0.0006779500000000, -0.0001262100000000 ] - [ -0.0003905900000000, 0.0008653500000000, 0.0000843500000000 ] - [ -0.0004604600000000, -0.0004058900000000, -0.0007883500000000 ] - [ 0.0000731900000000, 0.0012377100000000, 0.0004589400000000 ] - [ -0.0002291300000000, -0.0005320000000000, -0.0002835300000000 ] - [ -0.0016451100000000, 0.0011391800000000, -0.0008898800000000 ] - [ -0.0003703800000000, -0.0004569500000000, -0.0000087900000000 ] - [ 0.0007469100000000, 0.0002955100000000, 0.0004372700000000 ] - [ -0.0004157900000000, -0.0000694100000000, -0.0008008600000000 ] - [ 0.0002680200000000, -0.0002924200000000, -0.0016106400000000 ] - [ -0.0006967200000000, 0.0001824800000000, -0.0011521600000000 ] - [ -0.0017600900000000, 0.0006865600000000, -0.0011485400000000 ] - [ -0.0007581500000000, -0.0005801900000000, 0.0011057700000000 ] - [ 0.0007864900000000, 0.0000892800000000, -0.0005029000000000 ] - [ 0.0000901800000000, -0.0003253900000000, -0.0008603800000000 ] - [ 0.0006576600000000, 0.0003919000000000, 0.0001085500000000 ] - [ -0.0001710300000000, -0.0004651900000000, -0.0001755700000000 ] - [ 0.0006419500000000, -0.0001567200000000, 0.0004630400000000 ] - [ -0.0002956300000000, -0.0000947100000000, -0.0002776100000000 ] - [ 0.0029128900000000, -0.0102707200000000, -0.0198116900000000 ] - [ -0.0012874100000000, 0.0001513200000000, -0.0008103900000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014982800000000, 0.0007895200000000, 0.0002281100000000 ] - [ 0.0015601600000000, 0.0013220900000000, -0.0001483000000000 ] - [ -0.0004211800000000, -0.0004223800000000, 0.0002488600000000 ] - [ 0.0023560100000000, -0.0030213200000000, 0.0014997400000000 ] - [ 0.0004751300000000, -0.0006939000000000, 0.0000929000000000 ] - [ -0.0002786800000000, -0.0008180000000000, -0.0001105700000000 ] - [ 0.0001408500000000, -0.0007174100000000, -0.0027154700000000 ] - [ -0.0001847100000000, 0.0001043600000000, 0.0003959400000000 ] - [ 0.0005070800000000, -0.0003602700000000, 0.0006374000000000 ] - [ -0.0003577400000000, -0.0002230000000000, -0.0006299700000000 ] - [ -0.0020820900000000, -0.0028880600000000, 0.0009836500000000 ] - [ 0.0001692900000000, -0.0002975400000000, -0.0000363100000000 ] - [ 0.0000394100000000, -0.0016285500000000, -0.0007185400000000 ] - [ 0.0002181000000000, -0.0002653500000000, -0.0000830500000000 ] - [ -0.0026090900000000, 0.0050318900000000, 0.0000014300000000 ] - [ -0.0004928600000000, 0.0000992000000000, -0.0000939800000000 ] - [ -0.0004279900000000, 0.0061524700000000, 0.0009302600000000 ] - [ -0.0002551000000000, 0.0001711800000000, -0.0000492400000000 ] - [ 0.0003417400000000, 0.0027608500000000, -0.0006196000000000 ] - [ 0.0005157400000000, 0.0001783400000000, -0.0003720900000000 ] - [ -0.0005071100000000, -0.0027561100000000, 0.0003526000000000 ] - [ -0.0002714500000000, -0.0009168400000000, -0.0001588000000000 ] - [ -0.0005095800000000, -0.0024807700000000, 0.0001938200000000 ] - [ 0.0003798500000000, -0.0014354200000000, -0.0003139700000000 ] - [ -0.0005900600000000, 0.0083780000000000, -0.0065646000000000 ] - [ -0.0010126300000000, 0.0014760300000000, 0.0001187000000000 ] - [ -0.0001749900000000, 0.0060502300000000, -0.0028999200000000 ] - [ -0.0001524500000000, 0.0008164200000000, 0.0000166500000000 ] - [ -0.0001392600000000, -0.0024086600000000, -0.0002904500000000 ] - [ -0.0008553400000000, -0.0024766200000000, -0.0004814900000000 ] - [ -0.0016056800000000, -0.0082310500000000, 0.0028344600000000 ] - [ -0.0001159300000000, -0.0008691400000000, 0.0000359600000000 ] - [ 0.0012962900000000, -0.0030991600000000, 0.0005838600000000 ] - [ -0.0010526400000000, -0.0007016700000000, -0.0004683000000000 ] - [ 0.0001191800000000, 0.0036569000000000, 0.0024580600000000 ] - [ 0.0010481000000000, 0.0036925500000000, -0.0029841300000000 ] - [ -0.0456027500000000, 0.2537872900000000, 0.1728654600000000 ] - [ 0.0003470300000000, 0.0006407000000000, -0.0001641100000000 ] - [ 0.0005931700000000, 0.0049426600000000, -0.0014539700000000 ] - [ 0.0007021800000000, 0.0033913400000000, 0.0000313600000000 ] - [ 0.0010608100000000, 0.0007334900000000, 0.0006219400000000 ] - [ -0.0007591900000000, 0.0007498600000000, 0.0000731200000000 ] - [ 0.0000002900000000, -0.0115268500000000, 0.0053570900000000 ] - [ -0.0000672300000000, -0.0001636900000000, 0.0003894600000000 ] - [ 0.0006983200000000, 0.0047576500000000, 0.0003312500000000 ] - [ -0.0000206100000000, 0.0002263600000000, -0.0000623500000000 ] - [ 0.0009121700000000, 0.0019810600000000, -0.0016951500000000 ] - [ 0.0001141500000000, 0.0002828800000000, -0.0003437400000000 ] - [ 0.0000347400000000, 0.0011376500000000, 0.0002116900000000 ] - [ 0.0001012400000000, 0.0011664700000000, 0.0002894600000000 ] - [ -0.0001216900000000, -0.0022853700000000, 0.0007124000000000 ] - [ -0.0000777400000000, -0.0010161100000000, -0.0002095900000000 ] - [ -0.0120548400000000, 0.0343921900000000, 0.0190737700000000 ] - [ -0.0000126600000000, -0.0001662400000000, 0.0001338500000000 ] - [ -0.0007968000000000, -0.0033102500000000, -0.0004854600000000 ] - [ 0.0004186900000000, -0.0001731300000000, 0.0000408000000000 ] - [ -0.0013845200000000, -0.0031713000000000, 0.0013813800000000 ] - [ 0.0011909200000000, -0.0026139500000000, 0.0006238400000000 ] - [ -0.0022819100000000, -0.0029603100000000, 0.0013035500000000 ] - [ -0.0009892900000000, -0.0012793200000000, -0.0005496600000000 ] - [ 0.0576934200000000, -0.2941033200000000, -0.2080405500000000 ] - [ 0.0000195300000000, -0.0002364600000000, 0.0003256200000000 ] - [ 0.0005526300000000, 0.0084727900000000, -0.0021866100000000 ] - [ 0.0001880300000000, 0.0003899400000000, -0.0003047100000000 ] - [ 0.0012697000000000, -0.0011554200000000, -0.0002508700000000 ] - [ -0.0010174200000000, -0.0013651700000000, -0.0005279600000000 ] - [ 0.0000734000000000, -0.0004437000000000, -0.0000731000000000 ] - [ 0.0001989400000000, 0.0004150100000000, 0.0034923800000000 ] - [ 0.0002152000000000, 0.0013213800000000, -0.0005703600000000 ] - [ 0.0000217200000000, 0.0012996500000000, -0.0006417200000000 ] - [ 0.0000791900000000, 0.0025171000000000, 0.0002357500000000 ] - [ -0.0001609300000000, 0.0010941400000000, 0.0000921900000000 ] - [ -0.0017834900000000, 0.0013449400000000, 0.0005861300000000 ] - [ 0.0003267100000000, 0.0005873400000000, -0.0000465000000000 ] - [ -0.0004094400000000, 0.0015620100000000, 0.0004342500000000 ] - [ 0.0010976400000000, 0.0017706000000000, 0.0005618600000000 ] - [ 0.0017819100000000, -0.0029254900000000, 0.0005218600000000 ] - [ 0.0004323600000000, -0.0021381500000000, 0.0006599700000000 ] - [ 0.0000079800000000, 0.0011114300000000, 0.0001139800000000 ] - [ 0.0004299600000000, 0.0005983100000000, 0.0001803300000000 ] - [ -0.0008066200000000, -0.0013950800000000, 0.0033965600000000 ] - [ -0.0004381400000000, -0.0013099300000000, -0.0003187500000000 ] - [ -0.0018349400000000, -0.0006201900000000, -0.0015226600000000 ] - [ -0.0000369700000000, -0.0006764900000000, 0.0010317200000000 ] - [ 0.0002722200000000, 0.0013682800000000, -0.0019948000000000 ] - [ 0.0006334600000000, 0.0000692700000000, -0.0003644900000000 ] - [ 0.0009955700000000, 0.0021028800000000, -0.0002434700000000 ] - [ 0.0006797100000000, 0.0007045700000000, -0.0000058000000000 ] - [ -0.0001503600000000, 0.0021308400000000, -0.0017012700000000 ] - [ 0.0001146500000000, 0.0004064200000000, -0.0000939200000000 ] - [ 0.0040363300000000, -0.0058994800000000, 0.0164785100000000 ] - [ -0.0000585000000000, -0.0004899300000000, 0.0004264400000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012174100000000, -0.0008399200000000, -0.0001023200000000 ] - [ -0.0018569700000000, -0.0013627000000000, 0.0002644500000000 ] - [ 0.0001037500000000, 0.0003510400000000, 0.0003783100000000 ] - [ -0.0026543000000000, 0.0029343500000000, -0.0008635300000000 ] - [ -0.0004700200000000, 0.0006269000000000, -0.0003944400000000 ] - [ 0.0002929900000000, 0.0007496900000000, -0.0001886500000000 ] - [ -0.0005232700000000, 0.0007842000000000, 0.0033526500000000 ] - [ -0.0001956100000000, -0.0000558600000000, 0.0002599300000000 ] - [ -0.0001281000000000, 0.0004002400000000, -0.0012991300000000 ] - [ 0.0007407100000000, 0.0002656800000000, -0.0000240500000000 ] - [ 0.0020623900000000, 0.0027512700000000, -0.0011174900000000 ] - [ -0.0001689800000000, 0.0001666100000000, -0.0001073200000000 ] - [ 0.0002548000000000, 0.0015757200000000, 0.0006016000000000 ] - [ 0.0000734300000000, 0.0002108700000000, -0.0000397000000000 ] - [ 0.0029577600000000, -0.0054265500000000, 0.0001120300000000 ] - [ 0.0004949400000000, -0.0002375400000000, 0.0002382800000000 ] - [ 0.0003932900000000, -0.0061048500000000, -0.0007711300000000 ] - [ 0.0002490500000000, -0.0002372300000000, 0.0003483200000000 ] - [ -0.0002801100000000, -0.0030472800000000, -0.0000664600000000 ] - [ -0.0001978900000000, -0.0002596900000000, -0.0002540000000000 ] - [ 0.0004281000000000, 0.0023263200000000, -0.0004489900000000 ] - [ 0.0001888800000000, 0.0004860400000000, 0.0000697400000000 ] - [ 0.0001426200000000, 0.0024941000000000, -0.0003842600000000 ] - [ -0.0007338900000000, 0.0014411800000000, 0.0001352200000000 ] - [ 0.0006992000000000, -0.0088225500000000, 0.0066860200000000 ] - [ 0.0010923400000000, -0.0019084800000000, -0.0000321400000000 ] - [ 0.0005411100000000, -0.0061311900000000, 0.0031627500000000 ] - [ 0.0005106400000000, -0.0008139000000000, 0.0001645000000000 ] - [ -0.0006820400000000, 0.0020715000000000, 0.0003439500000000 ] - [ 0.0000462100000000, 0.0021395400000000, 0.0005426400000000 ] - [ 0.0013256700000000, 0.0078996900000000, -0.0029513600000000 ] - [ -0.0001650000000000, 0.0005279400000000, -0.0001262700000000 ] - [ -0.0016169000000000, 0.0040893200000000, -0.0003944500000000 ] - [ 0.0007128400000000, 0.0017024200000000, 0.0006550700000000 ] - [ 0.0002132100000000, -0.0026864100000000, -0.0026511200000000 ] - [ -0.0007320900000000, -0.0027295900000000, 0.0028135500000000 ] - [ 0.0439750500000000, -0.2465662000000000, -0.1629363700000000 ] - [ 0.0004687400000000, -0.0009742900000000, 0.0001079200000000 ] - [ -0.0002843900000000, -0.0052589600000000, 0.0015530500000000 ] - [ -0.0004275600000000, -0.0036979600000000, 0.0000546700000000 ] - [ 0.0004827300000000, -0.0017839700000000, -0.0002424700000000 ] - [ 0.0022853700000000, -0.0017898600000000, 0.0003020400000000 ] - [ -0.0002517900000000, 0.0118880500000000, -0.0051718300000000 ] - [ -0.0002885800000000, 0.0006600500000000, -0.0000126500000000 ] - [ -0.0007410400000000, -0.0050694400000000, -0.0006039500000000 ] - [ -0.0000194500000000, -0.0005378200000000, -0.0002124800000000 ] - [ -0.0006076000000000, -0.0021217800000000, 0.0012406700000000 ] - [ 0.0001970000000000, -0.0004203300000000, -0.0001215800000000 ] - [ 0.0003236300000000, -0.0006411400000000, -0.0005865100000000 ] - [ 0.0002483000000000, -0.0006699000000000, -0.0006694800000000 ] - [ -0.0001562000000000, 0.0018979800000000, -0.0008813400000000 ] - [ -0.0001820300000000, 0.0006286500000000, 0.0000744000000000 ] - [ 0.0113834500000000, -0.0330157800000000, -0.0187902700000000 ] - [ -0.0003058700000000, 0.0006030700000000, -0.0002235200000000 ] - [ 0.0007998500000000, 0.0045057600000000, 0.0003762600000000 ] - [ -0.0004005500000000, 0.0013528600000000, -0.0001444200000000 ] - [ 0.0014078400000000, 0.0028689000000000, -0.0011083600000000 ] - [ -0.0011290300000000, 0.0022954600000000, -0.0003383500000000 ] - [ 0.0007664800000000, 0.0019436300000000, -0.0016933900000000 ] - [ -0.0005435400000000, 0.0002424500000000, 0.0001736500000000 ] - [ -0.0552536300000000, 0.2866196800000000, 0.1986776300000000 ] - [ -0.0001481400000000, 0.0005537300000000, 0.0003752300000000 ] - [ -0.0003436400000000, -0.0084091100000000, 0.0017484900000000 ] - [ 0.0000176300000000, -0.0002781100000000, -0.0001386300000000 ] - [ -0.0014770800000000, 0.0012480300000000, 0.0006881600000000 ] - [ 0.0008063900000000, 0.0014624600000000, 0.0009659500000000 ] - [ 0.0001551600000000, 0.0006718500000000, 0.0008466300000000 ] - [ 0.0000288600000000, -0.0001902500000000, -0.0027344600000000 ] - [ -0.0000832700000000, -0.0010047700000000, -0.0001322800000000 ] - [ 0.0001029500000000, -0.0009811400000000, -0.0000633000000000 ] - [ -0.0000949700000000, -0.0013404100000000, -0.0001257700000000 ] - [ 0.0001410700000000, 0.0000819300000000, 0.0000113200000000 ] - [ 0.0015456100000000, -0.0011288600000000, -0.0013534800000000 ] - [ -0.0005527200000000, -0.0003725600000000, -0.0007308000000000 ] - [ 0.0007319500000000, -0.0011207600000000, -0.0003448300000000 ] - [ -0.0007848000000000, -0.0013314200000000, -0.0004751100000000 ] - [ -0.0022648800000000, 0.0026746000000000, -0.0004504700000000 ] - [ -0.0009006900000000, 0.0018858400000000, -0.0005899200000000 ] - [ 0.0003216500000000, -0.0010108700000000, -0.0005503800000000 ] - [ -0.0001040800000000, -0.0005001200000000, -0.0006231100000000 ] - [ 0.0004934800000000, 0.0012552900000000, -0.0029391400000000 ] - [ 0.0001298800000000, 0.0011647500000000, 0.0007870000000000 ] - [ 0.0009325500000000, 0.0003030700000000, 0.0026531200000000 ] - [ -0.0008690500000000, 0.0003606500000000, 0.0000920700000000 ] - [ 0.0006351500000000, -0.0016960500000000, 0.0008632800000000 ] - [ 0.0002743000000000, -0.0003988700000000, -0.0007581300000000 ] - [ -0.0005268700000000, -0.0023674200000000, 0.0001719000000000 ] - [ -0.0002044300000000, -0.0009714300000000, -0.0000650500000000 ] - [ 0.0004191600000000, -0.0025211700000000, 0.0018525500000000 ] - [ 0.0001456900000000, -0.0007889700000000, 0.0002297200000000 ] - [ -0.0043427100000000, 0.0058719300000000, -0.0159594800000000 ] - [ -0.0002675200000000, 0.0005881500000000, 0.0000134300000000 ]- atom: 61 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ -0.0008855000000000, 0.0005141300000000, 0.0014033000000000 ] - [ 0.0022250700000000, -0.0005501800000000, 0.0007342100000000 ] - [ -0.0001206600000000, -0.0000165900000000, 0.0003721800000000 ] - [ 0.0003115400000000, -0.0005934500000000, 0.0007328100000000 ] - [ 0.0000812200000000, -0.0002139400000000, 0.0000384400000000 ] - [ 0.0000188600000000, -0.0001547400000000, -0.0001849400000000 ] - [ 0.0000815100000000, -0.0017867700000000, -0.0010616700000000 ] - [ -0.0003804100000000, 0.0001374700000000, 0.0002732700000000 ] - [ 0.0002182300000000, 0.0006588900000000, -0.0006308300000000 ] - [ -0.0001340500000000, -0.0001298500000000, -0.0004722800000000 ] - [ -0.0004766600000000, -0.0002623200000000, 0.0005789900000000 ] - [ 0.0000109000000000, -0.0000934200000000, -0.0000982500000000 ] - [ 0.0001084700000000, -0.0006563800000000, -0.0001195800000000 ] - [ 0.0001558400000000, -0.0000424900000000, -0.0001441100000000 ] - [ -0.0020564600000000, 0.0011558000000000, 0.0018217800000000 ] - [ -0.0000423400000000, -0.0000411300000000, 0.0000600100000000 ] - [ -0.0008205200000000, 0.0013577100000000, 0.0010115200000000 ] - [ -0.0001977600000000, -0.0000203400000000, -0.0002224700000000 ] - [ -0.0027211900000000, -0.0015231300000000, 0.0018536700000000 ] - [ 0.0005069600000000, -0.0001960500000000, -0.0004327200000000 ] - [ 0.0001268400000000, -0.0007627700000000, -0.0002180600000000 ] - [ -0.0003174200000000, -0.0004145700000000, -0.0000794000000000 ] - [ -0.0000324700000000, -0.0008003800000000, -0.0002000900000000 ] - [ -0.0002006700000000, -0.0002744700000000, -0.0001771100000000 ] - [ -0.0030594800000000, 0.0025668500000000, -0.0082446900000000 ] - [ -0.0008896800000000, -0.0000731000000000, -0.0012199800000000 ] - [ -0.0001508300000000, 0.0081903100000000, -0.0184628900000000 ] - [ -0.0006046500000000, -0.0000481100000000, 0.0000701100000000 ] - [ -0.0002397200000000, -0.0009639900000000, -0.0004003600000000 ] - [ -0.0006885300000000, -0.0006550500000000, -0.0000602100000000 ] - [ -0.0002968400000000, -0.0014852500000000, 0.0005842600000000 ] - [ -0.0002409800000000, -0.0003172100000000, -0.0000520800000000 ] - [ 0.0005215100000000, -0.0002653300000000, -0.0015147000000000 ] - [ -0.0007905800000000, -0.0001652400000000, -0.0003459400000000 ] - [ -0.0012216200000000, 0.0028368600000000, 0.0009032500000000 ] - [ 0.0038486900000000, 0.0010182800000000, -0.0046928100000000 ] - [ -0.0647112700000000, 0.1797617000000000, 0.2200570400000000 ] - [ 0.0002641000000000, 0.0000075700000000, -0.0001067800000000 ] - [ 0.0046234800000000, 0.0030199800000000, -0.0055818600000000 ] - [ -0.0017253700000000, 0.0002265600000000, 0.0013294100000000 ] - [ 0.0009159600000000, 0.0001034700000000, 0.0004238900000000 ] - [ 0.0004153700000000, -0.0002897000000000, 0.0004018400000000 ] - [ -0.0157277900000000, 0.0122986900000000, 0.0331349400000000 ] - [ 0.0000336300000000, 0.0001490200000000, 0.0001440100000000 ] - [ 0.0000467300000000, 0.0007247100000000, -0.0001563700000000 ] - [ -0.0000026400000000, -0.0000646700000000, -0.0000941300000000 ] - [ 0.0002685500000000, 0.0002303700000000, -0.0005680300000000 ] - [ 0.0002261400000000, 0.0000164100000000, -0.0002899000000000 ] - [ 0.0000075300000000, 0.0005828500000000, 0.0001792100000000 ] - [ 0.0002780200000000, 0.0004667000000000, -0.0001100600000000 ] - [ -0.0029153100000000, 0.0001124900000000, 0.0101521000000000 ] - [ 0.0003832800000000, -0.0001529100000000, -0.0001789200000000 ] - [ 0.0050963200000000, 0.0031993200000000, -0.0072729700000000 ] - [ -0.0001248500000000, 0.0000671600000000, 0.0000336300000000 ] - [ 0.0010601100000000, -0.0008203300000000, 0.0042201500000000 ] - [ 0.0006028500000000, 0.0005985600000000, 0.0001322700000000 ] - [ -0.0033768600000000, -0.0020704600000000, 0.0022513400000000 ] - [ 0.0005571400000000, -0.0003664000000000, -0.0010180000000000 ] - [ -0.0041378600000000, -0.0032469000000000, 0.0033885700000000 ] - [ -0.0001558000000000, -0.0006777600000000, -0.0003037100000000 ] - [ 0.0776056400000000, -0.2130047000000000, -0.2523352800000000 ] - [ -0.0001039000000000, 0.0001002600000000, 0.0004131700000000 ] - [ 0.0005988100000000, 0.0012856600000000, -0.0013206900000000 ] - [ 0.0001201500000000, 0.0001358300000000, -0.0002087600000000 ] - [ -0.0009546400000000, -0.0006943000000000, 0.0009196400000000 ] - [ -0.0000726700000000, -0.0003017800000000, -0.0003250200000000 ] - [ 0.0003888600000000, -0.0004406600000000, 0.0003906100000000 ] - [ -0.0001286700000000, 0.0008410100000000, 0.0029734900000000 ] - [ 0.0000969400000000, 0.0004204300000000, -0.0004085300000000 ] - [ 0.0000870200000000, 0.0004019900000000, -0.0004349700000000 ] - [ -0.0001597100000000, 0.0011352100000000, 0.0001983600000000 ] - [ 0.0001035300000000, 0.0006860400000000, 0.0000762400000000 ] - [ -0.0009157200000000, 0.0011813500000000, 0.0002863500000000 ] - [ 0.0002835800000000, 0.0004456300000000, -0.0003152100000000 ] - [ -0.0001880000000000, 0.0008668400000000, 0.0003232700000000 ] - [ 0.0004222700000000, 0.0005623600000000, 0.0000654300000000 ] - [ 0.0021033700000000, -0.0019693200000000, 0.0007547100000000 ] - [ -0.0007728300000000, -0.0000408700000000, 0.0024350300000000 ] - [ 0.0000467000000000, 0.0003677400000000, 0.0000369100000000 ] - [ 0.0003347700000000, 0.0001666500000000, -0.0000860500000000 ] - [ -0.0017917900000000, 0.0001714100000000, 0.0045530600000000 ] - [ 0.0013955000000000, -0.0003511000000000, 0.0004396000000000 ] - [ -0.0005220400000000, -0.0005285900000000, -0.0006204000000000 ] - [ -0.0012564700000000, -0.0004436500000000, 0.0016521200000000 ] - [ 0.0004034400000000, -0.0006690400000000, -0.0001124600000000 ] - [ 0.0006019800000000, -0.0000601000000000, -0.0003554300000000 ] - [ 0.0002264600000000, 0.0003042300000000, 0.0002422900000000 ] - [ 0.0005189600000000, 0.0002240700000000, -0.0000015600000000 ] - [ 0.0000006100000000, 0.0003173200000000, -0.0004003300000000 ] - [ 0.0001947900000000, -0.0000740500000000, 0.0000997400000000 ] - [ 0.0078298000000000, 0.0093438500000000, 0.0087814600000000 ] - [ -0.0000448400000000, -0.0001862000000000, 0.0007129100000000 ]- atom: 61 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ 0.0005989100000000, -0.0005679400000000, -0.0012830900000000 ] - [ -0.0025107800000000, 0.0004825000000000, -0.0005936700000000 ] - [ -0.0001982100000000, -0.0000623800000000, 0.0002534100000000 ] - [ -0.0006437800000000, 0.0005301400000000, -0.0001128100000000 ] - [ -0.0000711500000000, 0.0001467800000000, -0.0003379000000000 ] - [ -0.0000110100000000, 0.0000911300000000, -0.0001130200000000 ] - [ -0.0004702400000000, 0.0018172500000000, 0.0017363800000000 ] - [ -0.0000009300000000, -0.0000932000000000, 0.0003806700000000 ] - [ 0.0001588200000000, -0.0006079600000000, -0.0000200000000000 ] - [ 0.0005184700000000, 0.0001773700000000, -0.0001835500000000 ] - [ 0.0004906500000000, 0.0001347600000000, -0.0007293400000000 ] - [ -0.0000135400000000, -0.0000406300000000, -0.0000415400000000 ] - [ 0.0001853300000000, 0.0006085000000000, -0.0000064800000000 ] - [ 0.0001356500000000, -0.0000099300000000, 0.0000217500000000 ] - [ 0.0021306800000000, -0.0013798100000000, -0.0016636500000000 ] - [ 0.0000458400000000, -0.0000931300000000, 0.0000899400000000 ] - [ 0.0007892900000000, -0.0012585900000000, -0.0009130100000000 ] - [ 0.0001860200000000, -0.0000490300000000, 0.0005209600000000 ] - [ 0.0030561100000000, 0.0014421700000000, -0.0025046500000000 ] - [ -0.0001916400000000, 0.0001233000000000, -0.0001952800000000 ] - [ -0.0002118600000000, 0.0003362800000000, 0.0001316700000000 ] - [ 0.0002333800000000, -0.0000159900000000, -0.0000124600000000 ] - [ -0.0003237200000000, 0.0008080800000000, 0.0000233800000000 ] - [ -0.0001583900000000, 0.0002826000000000, -0.0000066500000000 ] - [ 0.0031279500000000, -0.0030313200000000, 0.0083618500000000 ] - [ 0.0009980300000000, -0.0003714900000000, 0.0013068500000000 ] - [ 0.0004511200000000, -0.0080979400000000, 0.0185505500000000 ] - [ 0.0009670800000000, 0.0000515000000000, 0.0001068100000000 ] - [ -0.0005753000000000, 0.0006343500000000, 0.0004586600000000 ] - [ -0.0001262500000000, 0.0003236300000000, 0.0001140000000000 ] - [ 0.0000128300000000, 0.0011504000000000, -0.0006619200000000 ] - [ -0.0000406100000000, -0.0000189100000000, -0.0000420900000000 ] - [ -0.0008512500000000, 0.0012555300000000, 0.0017009300000000 ] - [ 0.0004654100000000, 0.0011508700000000, 0.0005352300000000 ] - [ 0.0015489400000000, -0.0018439400000000, -0.0010803400000000 ] - [ -0.0034866400000000, 0.0000013100000000, 0.0045251600000000 ] - [ 0.0645048600000000, -0.1704584900000000, -0.2133669200000000 ] - [ 0.0005516900000000, -0.0003451100000000, 0.0000514500000000 ] - [ -0.0044132700000000, -0.0033895100000000, 0.0056647600000000 ] - [ 0.0020037400000000, -0.0005620500000000, -0.0012585300000000 ] - [ 0.0006130400000000, -0.0011444800000000, -0.0000507600000000 ] - [ 0.0011196100000000, -0.0007529500000000, -0.0000252100000000 ] - [ 0.0148686800000000, -0.0114375800000000, -0.0320225600000000 ] - [ -0.0003896900000000, 0.0003469000000000, 0.0002364000000000 ] - [ -0.0000877300000000, -0.0010426200000000, -0.0001188900000000 ] - [ -0.0000378400000000, -0.0002469200000000, -0.0001798200000000 ] - [ 0.0000444200000000, -0.0003721000000000, 0.0000989800000000 ] - [ 0.0000838200000000, -0.0001564400000000, -0.0001730900000000 ] - [ 0.0003473000000000, -0.0000890900000000, -0.0005609700000000 ] - [ 0.0000743400000000, 0.0000276300000000, -0.0002669300000000 ] - [ 0.0027016400000000, -0.0004715200000000, -0.0102815700000000 ] - [ -0.0006438700000000, -0.0002293800000000, 0.0000477800000000 ] - [ -0.0053087300000000, -0.0029396200000000, 0.0070045300000000 ] - [ -0.0001923900000000, 0.0003739600000000, -0.0001225100000000 ] - [ -0.0009990600000000, 0.0019871400000000, -0.0043187400000000 ] - [ -0.0005940300000000, 0.0005797700000000, -0.0002345600000000 ] - [ 0.0034494100000000, 0.0017606800000000, -0.0019673000000000 ] - [ -0.0005007000000000, 0.0000526600000000, 0.0012968500000000 ] - [ 0.0025894000000000, 0.0021786900000000, -0.0037627200000000 ] - [ -0.0013793900000000, -0.0003634400000000, -0.0000734200000000 ] - [ -0.0765197700000000, 0.2032213200000000, 0.2460067800000000 ] - [ -0.0000223200000000, 0.0002166400000000, 0.0002883900000000 ] - [ -0.0003945200000000, -0.0011720400000000, 0.0008811200000000 ] - [ 0.0000851000000000, -0.0000305900000000, -0.0002326300000000 ] - [ 0.0007564900000000, 0.0008199400000000, -0.0004678500000000 ] - [ -0.0001281200000000, 0.0004108700000000, 0.0007709100000000 ] - [ -0.0001578500000000, 0.0006610500000000, 0.0003802500000000 ] - [ 0.0003447700000000, -0.0006331200000000, -0.0022022700000000 ] - [ 0.0000292800000000, -0.0001040600000000, -0.0002940500000000 ] - [ 0.0000426200000000, -0.0000876600000000, -0.0002665800000000 ] - [ 0.0001421000000000, 0.0000370300000000, -0.0000979600000000 ] - [ -0.0001208900000000, 0.0004899000000000, 0.0000294300000000 ] - [ 0.0006921400000000, -0.0009517500000000, -0.0010665300000000 ] - [ -0.0005120900000000, -0.0002219600000000, -0.0004585500000000 ] - [ 0.0005066600000000, -0.0004332700000000, -0.0002340500000000 ] - [ -0.0001043100000000, -0.0001258100000000, 0.0000232900000000 ] - [ -0.0025722600000000, 0.0017078400000000, -0.0006874100000000 ] - [ 0.0002754000000000, -0.0002237100000000, -0.0023713700000000 ] - [ 0.0002802200000000, -0.0002732500000000, -0.0004793600000000 ] - [ -0.0000056900000000, -0.0000699000000000, -0.0003532100000000 ] - [ 0.0015008600000000, -0.0003038100000000, -0.0041107100000000 ] - [ -0.0017146000000000, 0.0002170200000000, 0.0000363700000000 ] - [ -0.0003902800000000, 0.0002050000000000, 0.0017411400000000 ] - [ 0.0003445900000000, 0.0001110500000000, -0.0005387800000000 ] - [ 0.0004991200000000, 0.0003485500000000, -0.0010106100000000 ] - [ 0.0003045400000000, -0.0002626200000000, -0.0007714800000000 ] - [ 0.0002467800000000, -0.0005685800000000, -0.0003137500000000 ] - [ -0.0000456900000000, -0.0004870000000000, -0.0000695000000000 ] - [ 0.0002604900000000, -0.0007017800000000, 0.0005352900000000 ] - [ 0.0000666200000000, -0.0003122000000000, 0.0000400600000000 ] - [ -0.0080237500000000, -0.0090838300000000, -0.0083652100000000 ] - [ -0.0002861400000000, 0.0002883700000000, -0.0002741800000000 ]- atom: 63 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ -0.0002251500000000, -0.0003010600000000, 0.0000658000000000 ] - [ -0.0001673400000000, 0.0000012700000000, 0.0000502700000000 ] - [ -0.0005126900000000, 0.0002496500000000, 0.0001483600000000 ] - [ -0.0005439100000000, -0.0008119400000000, 0.0002054600000000 ] - [ -0.0040989600000000, 0.0016260700000000, -0.0017591700000000 ] - [ -0.0022450900000000, -0.0004950200000000, 0.0001525500000000 ] - [ 0.0002862300000000, -0.0001581300000000, 0.0006313600000000 ] - [ -0.0005632500000000, -0.0000644100000000, 0.0001689300000000 ] - [ 0.0022306900000000, -0.0002268700000000, -0.0006452100000000 ] - [ -0.0003811700000000, 0.0002380300000000, -0.0009393300000000 ] - [ 0.0013210700000000, -0.0001194400000000, 0.0000106600000000 ] - [ -0.0005048600000000, -0.0002447900000000, -0.0002496200000000 ] - [ 0.0034357500000000, 0.0006380600000000, 0.0001868500000000 ] - [ -0.0007820400000000, 0.0001558900000000, -0.0004308700000000 ] - [ 0.0041422300000000, 0.0005395300000000, 0.0002138300000000 ] - [ -0.0008692700000000, 0.0003095600000000, -0.0001513500000000 ] - [ 0.0002567400000000, -0.0002007200000000, 0.0003107100000000 ] - [ -0.0002621500000000, -0.0001021300000000, -0.0000474400000000 ] - [ 0.0027395700000000, 0.0009935100000000, -0.0006797000000000 ] - [ -0.0006543400000000, -0.0004370400000000, -0.0004440500000000 ] - [ 0.0022934100000000, -0.0075722100000000, 0.0109638500000000 ] - [ -0.0016249400000000, -0.0004721100000000, -0.0014859200000000 ] - [ 0.0040068100000000, 0.0064913900000000, -0.0042420200000000 ] - [ -0.0011596500000000, -0.0002688100000000, -0.0012369300000000 ] - [ 0.0008523200000000, -0.0008206500000000, 0.0002917100000000 ] - [ -0.0006729400000000, -0.0000388200000000, -0.0003006100000000 ] - [ 0.0017952500000000, 0.0006710200000000, 0.0008518200000000 ] - [ -0.0012307700000000, -0.0008533000000000, -0.0002284900000000 ] - [ 0.0019645900000000, 0.0029278400000000, 0.0046992900000000 ] - [ -0.0028337100000000, -0.0033417900000000, -0.0028165400000000 ] - [ 0.0729371100000000, 0.0564112100000000, -0.0271516500000000 ] - [ -0.0020327800000000, -0.0000108400000000, -0.0008424400000000 ] - [ -0.0007064100000000, -0.0014499600000000, -0.0000769100000000 ] - [ -0.0019178400000000, 0.0009940200000000, -0.0004770000000000 ] - [ -0.0015112300000000, -0.0019074600000000, -0.0040428000000000 ] - [ 0.0012562400000000, 0.0025349300000000, 0.0016513200000000 ] - [ 0.0018421900000000, -0.0008155100000000, 0.0003578300000000 ] - [ -0.0005799600000000, -0.0003118800000000, -0.0003817800000000 ] - [ 0.0010156300000000, -0.0010570500000000, 0.0009728100000000 ] - [ -0.0006383400000000, 0.0001065700000000, -0.0008997800000000 ] - [ 0.0018550900000000, -0.0027173600000000, 0.0007552100000000 ] - [ 0.0013519200000000, -0.0002778000000000, 0.0004424600000000 ] - [ -0.0008705800000000, 0.0001793100000000, -0.0000434000000000 ] - [ 0.0004036300000000, 0.0004391400000000, 0.0002618500000000 ] - [ -0.0125502000000000, 0.0108136800000000, -0.0020834600000000 ] - [ 0.0006929200000000, -0.0000656900000000, 0.0002793800000000 ] - [ 0.0055682400000000, 0.0213819300000000, -0.0270916100000000 ] - [ 0.0011605900000000, -0.0003385100000000, 0.0001668500000000 ] - [ -0.0005484100000000, -0.0007522600000000, 0.0006597900000000 ] - [ 0.0006042400000000, 0.0009769300000000, 0.0010294200000000 ] - [ -0.0008335700000000, -0.0002517500000000, -0.0006759600000000 ] - [ 0.0005177700000000, 0.0001154100000000, 0.0005674600000000 ] - [ -0.0005370500000000, 0.0010422400000000, -0.0002666300000000 ] - [ 0.0001616800000000, 0.0002037600000000, 0.0001010100000000 ] - [ -0.0011071100000000, 0.0009532500000000, -0.0001376200000000 ] - [ 0.0008789400000000, 0.0005361600000000, 0.0001454000000000 ] - [ 0.0001250400000000, 0.0008601400000000, -0.0003797400000000 ] - [ 0.0004113000000000, -0.0008149300000000, 0.0005383900000000 ] - [ -0.0020343200000000, -0.0014382400000000, -0.0010053500000000 ] - [ 0.0012935300000000, 0.0004476700000000, 0.0007562000000000 ] - [ -0.0014936300000000, 0.0006099900000000, 0.0002306100000000 ] - [ 0.0003563900000000, 0.0002462600000000, 0.0005683400000000 ] - [ -0.0751656100000000, -0.0711527000000000, 0.0354520800000000 ] - [ 0.0009547300000000, -0.0000566900000000, 0.0000857000000000 ] - [ -0.0004699800000000, 0.0003195100000000, 0.0000815900000000 ] - [ 0.0001798400000000, 0.0000612000000000, 0.0004469800000000 ] - [ 0.0005752000000000, 0.0004851700000000, 0.0013981100000000 ] - [ -0.0007221400000000, -0.0005721400000000, 0.0007104000000000 ] - [ -0.0001280500000000, -0.0012208800000000, -0.0013908100000000 ] - [ 0.0008425400000000, 0.0010638800000000, 0.0000464700000000 ] - [ -0.0049121600000000, 0.0013889600000000, -0.0012019200000000 ] - [ 0.0010325100000000, 0.0006718400000000, 0.0005327100000000 ] - [ -0.0001805900000000, 0.0006666400000000, -0.0002673100000000 ] - [ 0.0002979300000000, -0.0000740300000000, -0.0003639000000000 ] - [ 0.0020969700000000, -0.0014362100000000, -0.0022338900000000 ] - [ 0.0032354200000000, 0.0017603300000000, 0.0021011600000000 ] - [ -0.0006473500000000, 0.0010147600000000, 0.0005465100000000 ] - [ 0.0000162100000000, -0.0009653000000000, -0.0001425200000000 ] - [ -0.0022104100000000, -0.0009640500000000, -0.0065847500000000 ] - [ 0.0018584800000000, 0.0007244600000000, 0.0017295000000000 ] - [ -0.0004082700000000, 0.0001581000000000, 0.0001162700000000 ] - [ 0.0000941500000000, -0.0000698700000000, 0.0004014900000000 ] - [ 0.0020515600000000, 0.0019592700000000, 0.0036491100000000 ] - [ 0.0002716900000000, -0.0012393600000000, -0.0003871100000000 ] - [ 0.0002715900000000, 0.0005896600000000, -0.0007678000000000 ] - [ 0.0009688500000000, -0.0003274800000000, -0.0000877500000000 ] - [ 0.0018702400000000, 0.0024353400000000, -0.0015585500000000 ] - [ 0.0014615500000000, -0.0000914700000000, 0.0004298900000000 ] - [ -0.0049696900000000, -0.0200607900000000, 0.0188578600000000 ] - [ 0.0011627100000000, -0.0003890200000000, 0.0008810200000000 ] - [ -0.0009237200000000, 0.0003415400000000, -0.0003841800000000 ] - [ 0.0004323800000000, 0.0000234100000000, 0.0006812100000000 ]- atom: 63 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ -0.0000671800000000, 0.0002405200000000, 0.0000572000000000 ] - [ -0.0001259600000000, -0.0000624100000000, 0.0000728700000000 ] - [ 0.0001958900000000, -0.0003257000000000, 0.0004784600000000 ] - [ 0.0002088500000000, 0.0007202100000000, 0.0004154900000000 ] - [ 0.0040907400000000, -0.0016725800000000, 0.0014401700000000 ] - [ 0.0022611300000000, 0.0004393700000000, -0.0004574800000000 ] - [ -0.0006658800000000, 0.0001964000000000, 0.0000284300000000 ] - [ 0.0001824100000000, 0.0001084800000000, 0.0004861300000000 ] - [ -0.0018453700000000, 0.0002839600000000, 0.0000060000000000 ] - [ 0.0007635600000000, -0.0001900300000000, 0.0002859900000000 ] - [ -0.0013028400000000, -0.0000274500000000, -0.0001579800000000 ] - [ 0.0005025200000000, 0.0001102300000000, 0.0001090400000000 ] - [ -0.0031328700000000, -0.0006703300000000, -0.0003267800000000 ] - [ 0.0010748100000000, -0.0002067200000000, 0.0003106000000000 ] - [ -0.0039766500000000, -0.0004721400000000, -0.0001378000000000 ] - [ 0.0008725900000000, -0.0004448200000000, 0.0002954000000000 ] - [ -0.0002653400000000, 0.0001253300000000, -0.0000136200000000 ] - [ 0.0002525200000000, 0.0000297300000000, 0.0003450600000000 ] - [ -0.0025219900000000, -0.0009524700000000, -0.0000040900000000 ] - [ 0.0009680300000000, 0.0003592800000000, -0.0001821600000000 ] - [ -0.0023759800000000, 0.0071434000000000, -0.0109964900000000 ] - [ 0.0015442100000000, 0.0000489300000000, 0.0013946500000000 ] - [ -0.0043919900000000, -0.0065387500000000, 0.0041480700000000 ] - [ 0.0007971100000000, 0.0002816600000000, 0.0010527800000000 ] - [ -0.0007629300000000, 0.0003839700000000, -0.0002002500000000 ] - [ 0.0007597900000000, -0.0003983800000000, 0.0003906000000000 ] - [ -0.0014397800000000, -0.0006719000000000, -0.0006685200000000 ] - [ 0.0015864700000000, 0.0008524500000000, 0.0004104800000000 ] - [ -0.0027999600000000, -0.0032153100000000, -0.0045958100000000 ] - [ 0.0020181800000000, 0.0030448800000000, 0.0028810500000000 ] - [ -0.0722775100000000, -0.0557512800000000, 0.0265597500000000 ] - [ 0.0017471700000000, -0.0003196500000000, 0.0007465000000000 ] - [ 0.0003661200000000, 0.0024415700000000, 0.0002550500000000 ] - [ 0.0016153600000000, -0.0000067900000000, 0.0006697900000000 ] - [ 0.0018388200000000, 0.0028884700000000, 0.0038334800000000 ] - [ -0.0009279100000000, -0.0015549000000000, -0.0018397500000000 ] - [ -0.0010240500000000, 0.0004577300000000, -0.0004101800000000 ] - [ 0.0013925600000000, -0.0000295900000000, 0.0003252700000000 ] - [ -0.0007316900000000, 0.0007053400000000, -0.0008760200000000 ] - [ 0.0009200600000000, -0.0004567000000000, 0.0009926300000000 ] - [ -0.0003417200000000, 0.0017009200000000, -0.0003929800000000 ] - [ 0.0001892500000000, -0.0007661900000000, -0.0000653500000000 ] - [ 0.0005184800000000, 0.0003243900000000, 0.0004194500000000 ] - [ -0.0007563800000000, 0.0000606200000000, 0.0001156300000000 ] - [ 0.0126387000000000, -0.0110569700000000, 0.0017527800000000 ] - [ -0.0007325700000000, -0.0002473100000000, -0.0005530200000000 ] - [ -0.0053260800000000, -0.0216963500000000, 0.0269163100000000 ] - [ -0.0008482500000000, 0.0001947500000000, -0.0006285500000000 ] - [ 0.0009105300000000, 0.0012359700000000, -0.0010723200000000 ] - [ -0.0002452700000000, -0.0004890000000000, -0.0014097500000000 ] - [ 0.0005711000000000, -0.0001274800000000, 0.0005368300000000 ] - [ -0.0007776500000000, -0.0004950600000000, -0.0007042000000000 ] - [ 0.0002162700000000, -0.0005865200000000, 0.0001762400000000 ] - [ -0.0004798000000000, 0.0002368500000000, -0.0001892200000000 ] - [ 0.0011246100000000, 0.0002234900000000, 0.0000322600000000 ] - [ -0.0008605100000000, 0.0006438500000000, -0.0002500800000000 ] - [ -0.0000832900000000, -0.0011578600000000, 0.0006469300000000 ] - [ -0.0003720800000000, 0.0005138100000000, -0.0002679200000000 ] - [ 0.0005048100000000, 0.0004023700000000, 0.0006286000000000 ] - [ -0.0028194800000000, -0.0014819200000000, -0.0011268000000000 ] - [ 0.0013646600000000, -0.0002811600000000, 0.0004751500000000 ] - [ -0.0004841000000000, 0.0000751700000000, 0.0001354800000000 ] - [ 0.0743161600000000, 0.0700267600000000, -0.0355746700000000 ] - [ -0.0007487600000000, 0.0001579800000000, -0.0005241500000000 ] - [ 0.0002617700000000, -0.0002086400000000, 0.0003593200000000 ] - [ -0.0003841200000000, 0.0000504400000000, -0.0000044200000000 ] - [ -0.0003482300000000, -0.0002638300000000, -0.0006209800000000 ] - [ 0.0009495200000000, 0.0007962600000000, 0.0000549500000000 ] - [ 0.0002595300000000, 0.0015207400000000, 0.0006815100000000 ] - [ -0.0007086700000000, -0.0007582300000000, -0.0007448500000000 ] - [ 0.0049039300000000, -0.0002187400000000, 0.0012875000000000 ] - [ -0.0010491600000000, 0.0005010400000000, -0.0004270300000000 ] - [ -0.0000438800000000, -0.0004388100000000, -0.0005040300000000 ] - [ -0.0005305500000000, 0.0003002500000000, -0.0004077800000000 ] - [ -0.0017501000000000, 0.0018578300000000, 0.0022977000000000 ] - [ -0.0029428000000000, -0.0013399600000000, -0.0020299100000000 ] - [ 0.0001707300000000, -0.0012690700000000, -0.0004711200000000 ] - [ -0.0004924000000000, 0.0007090800000000, 0.0002149600000000 ] - [ 0.0025350700000000, 0.0010486500000000, 0.0061309400000000 ] - [ -0.0015325200000000, -0.0006353200000000, -0.0021755900000000 ] - [ 0.0000980700000000, -0.0002930300000000, 0.0003479100000000 ] - [ -0.0004054300000000, -0.0000666900000000, 0.0000642800000000 ] - [ -0.0029410000000000, -0.0022681700000000, -0.0025022400000000 ] - [ -0.0011816900000000, 0.0009183600000000, 0.0015171100000000 ] - [ 0.0006352800000000, -0.0009082000000000, -0.0003521400000000 ] - [ -0.0000668500000000, 0.0000058200000000, -0.0010430500000000 ] - [ -0.0013920900000000, -0.0026961200000000, 0.0014834500000000 ] - [ -0.0009964900000000, -0.0001769200000000, -0.0005015900000000 ] - [ 0.0052126200000000, 0.0196864200000000, -0.0186993700000000 ] - [ -0.0008995900000000, 0.0000004900000000, -0.0007384400000000 ] - [ 0.0005954400000000, -0.0002367700000000, 0.0008228700000000 ] - [ -0.0007580200000000, 0.0000779700000000, -0.0002406100000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004909400000000, -0.0009574700000000, -0.0000845800000000 ] - [ 0.0000738300000000, -0.0011444400000000, 0.0000375300000000 ] - [ 0.0001800500000000, -0.0007263300000000, 0.0004375100000000 ] - [ -0.0029070900000000, -0.0032004500000000, -0.0005055900000000 ] - [ 0.0006881700000000, 0.0024776300000000, -0.0005955800000000 ] - [ -0.0009494100000000, 0.0018118000000000, -0.0004358100000000 ] - [ -0.0000718400000000, -0.0021322000000000, 0.0007133500000000 ] - [ -0.0001285100000000, -0.0005870300000000, 0.0003122000000000 ] - [ -0.0001071900000000, 0.0031628400000000, -0.0029723800000000 ] - [ 0.0007270600000000, 0.0008331700000000, -0.0000874800000000 ] - [ 0.0024530000000000, -0.0033930400000000, -0.0010006900000000 ] - [ -0.0001487100000000, -0.0004746200000000, -0.0000600000000000 ] - [ 0.0004187400000000, 0.0069137100000000, 0.0001655800000000 ] - [ 0.0004738400000000, 0.0007081000000000, 0.0001923200000000 ] - [ -0.0000293100000000, 0.0024859000000000, 0.0001348400000000 ] - [ 0.0005012800000000, 0.0002329200000000, 0.0002587600000000 ] - [ 0.0001444400000000, -0.0017824300000000, 0.0006468000000000 ] - [ -0.0001393800000000, -0.0006362600000000, 0.0001030200000000 ] - [ 0.0023714900000000, 0.0005757000000000, 0.0009293700000000 ] - [ -0.0002727600000000, 0.0003832600000000, -0.0003135700000000 ] - [ -0.0016768800000000, -0.0025530700000000, 0.0056393900000000 ] - [ 0.0006951500000000, 0.0006699600000000, -0.0001274700000000 ] - [ -0.0005806900000000, -0.0072329100000000, 0.0081526400000000 ] - [ -0.0008715400000000, 0.0006244900000000, -0.0006972200000000 ] - [ -0.0012939200000000, -0.0019806900000000, -0.0008273800000000 ] - [ 0.0011382300000000, -0.0014111300000000, 0.0003122500000000 ] - [ 0.0007450400000000, -0.0019617200000000, -0.0011545100000000 ] - [ 0.0001842600000000, -0.0007109100000000, 0.0002476400000000 ] - [ 0.0001113000000000, 0.0062774300000000, 0.0027075900000000 ] - [ -0.0014035900000000, 0.0041661900000000, -0.0001596900000000 ] - [ 0.0540323100000000, 0.3116715100000000, -0.1278343000000000 ] - [ -0.0001986000000000, 0.0012816600000000, -0.0003500400000000 ] - [ -0.0022717100000000, -0.0011171300000000, -0.0013564300000000 ] - [ 0.0037569200000000, -0.0010948000000000, 0.0010341900000000 ] - [ -0.0007738400000000, 0.0002611400000000, -0.0035391700000000 ] - [ 0.0007371500000000, -0.0012098500000000, 0.0018623900000000 ] - [ 0.0017134200000000, -0.0092367700000000, -0.0033386700000000 ] - [ 0.0004353400000000, -0.0012974700000000, 0.0003613800000000 ] - [ -0.0002078500000000, -0.0034360700000000, -0.0005295600000000 ] - [ 0.0006701900000000, -0.0027495000000000, 0.0003992000000000 ] - [ -0.0024521800000000, 0.0026684100000000, -0.0011466600000000 ] - [ 0.0020490800000000, -0.0006690800000000, 0.0005321600000000 ] - [ -0.0005382900000000, 0.0021712900000000, 0.0006901100000000 ] - [ -0.0000587900000000, 0.0007499200000000, -0.0001002700000000 ] - [ 0.0105938600000000, 0.0351786500000000, -0.0067871500000000 ] - [ -0.0001779200000000, -0.0006195400000000, -0.0003618000000000 ] - [ 0.0043285100000000, 0.0003174800000000, -0.0106929200000000 ] - [ 0.0000686200000000, -0.0007415300000000, -0.0000080400000000 ] - [ 0.0002924800000000, -0.0012871200000000, -0.0046181800000000 ] - [ 0.0010593700000000, -0.0008629700000000, 0.0001360300000000 ] - [ -0.0000137100000000, 0.0013362700000000, 0.0006827200000000 ] - [ -0.0002978800000000, 0.0005325500000000, -0.0000287000000000 ] - [ -0.0010511700000000, 0.0059035700000000, -0.0001341700000000 ] - [ -0.0002329000000000, 0.0010286700000000, -0.0002146900000000 ] - [ 0.0005245500000000, 0.0023315200000000, 0.0012460900000000 ] - [ -0.0003855300000000, 0.0009963600000000, -0.0001985300000000 ] - [ 0.0007325700000000, 0.0013589400000000, -0.0001416700000000 ] - [ -0.0009196400000000, 0.0013406400000000, -0.0005068900000000 ] - [ -0.0012032500000000, -0.0000070800000000, -0.0003299700000000 ] - [ 0.0001270600000000, -0.0001543200000000, 0.0004626900000000 ] - [ -0.0005006900000000, 0.0086157300000000, 0.0015011400000000 ] - [ -0.0000976400000000, 0.0004925600000000, 0.0004289400000000 ] - [ -0.0686236500000000, -0.3671121300000000, 0.1634197300000000 ] - [ -0.0000037200000000, -0.0008324800000000, -0.0000236500000000 ] - [ -0.0003677600000000, 0.0020479500000000, 0.0006299400000000 ] - [ -0.0001088200000000, 0.0015992300000000, 0.0005426200000000 ] - [ 0.0000327400000000, -0.0008269900000000, 0.0014908800000000 ] - [ -0.0005554600000000, 0.0001616700000000, -0.0030124100000000 ] - [ -0.0014551600000000, -0.0010393200000000, -0.0002211900000000 ] - [ 0.0012114800000000, -0.0012529200000000, 0.0005838600000000 ] - [ 0.0009851800000000, 0.0013860500000000, -0.0024991700000000 ] - [ 0.0001353300000000, 0.0004230100000000, 0.0002031400000000 ] - [ 0.0004080900000000, 0.0015203100000000, 0.0000174900000000 ] - [ -0.0009453400000000, 0.0011034500000000, -0.0001218200000000 ] - [ 0.0010569300000000, -0.0036045100000000, -0.0014380700000000 ] - [ -0.0010188200000000, -0.0027245200000000, -0.0005618200000000 ] - [ 0.0002024800000000, 0.0002025900000000, 0.0005675800000000 ] - [ -0.0012171700000000, 0.0012806100000000, -0.0002971800000000 ] - [ -0.0003549800000000, -0.0020679700000000, -0.0030471100000000 ] - [ 0.0001433000000000, -0.0009276500000000, -0.0004382400000000 ] - [ 0.0001515500000000, 0.0013176700000000, 0.0007965400000000 ] - [ -0.0003424900000000, 0.0008222900000000, 0.0002539000000000 ] - [ 0.0019843500000000, -0.0000547600000000, 0.0030054100000000 ] - [ -0.0012143800000000, -0.0005364600000000, -0.0001873100000000 ] - [ 0.0006778100000000, 0.0014061000000000, 0.0005919300000000 ] - [ -0.0002648500000000, 0.0005923100000000, -0.0013239400000000 ] - [ 0.0023084000000000, 0.0013239000000000, -0.0004404100000000 ] - [ -0.0010828300000000, -0.0003315200000000, -0.0002868700000000 ] - [ -0.0016586600000000, 0.0104280600000000, -0.0187621800000000 ] - [ 0.0003322700000000, -0.0009458700000000, 0.0005028400000000 ] - [ 0.0003810000000000, 0.0017881800000000, 0.0011124800000000 ] - [ -0.0003708000000000, 0.0006616600000000, -0.0001450500000000 ]- atom: 63 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001945800000000, 0.0009012700000000, 0.0002063700000000 ] - [ -0.0003627000000000, 0.0010894200000000, 0.0000857900000000 ] - [ -0.0004976000000000, 0.0006466000000000, 0.0001891200000000 ] - [ 0.0026087500000000, 0.0031335100000000, 0.0011357400000000 ] - [ -0.0006561500000000, -0.0025532000000000, 0.0003112900000000 ] - [ 0.0009479000000000, -0.0018830800000000, 0.0001388800000000 ] - [ -0.0003096400000000, 0.0021783500000000, -0.0000642500000000 ] - [ -0.0002523400000000, 0.0006321200000000, 0.0003440500000000 ] - [ 0.0004916000000000, -0.0030986600000000, 0.0023319300000000 ] - [ -0.0003470000000000, -0.0007848600000000, -0.0005703700000000 ] - [ -0.0024714800000000, 0.0032643800000000, 0.0008640300000000 ] - [ 0.0001515000000000, 0.0003403900000000, -0.0000810400000000 ] - [ -0.0001440400000000, -0.0069919600000000, -0.0003575200000000 ] - [ -0.0001804300000000, -0.0007617400000000, -0.0003165000000000 ] - [ 0.0002699000000000, -0.0024205500000000, -0.0000711900000000 ] - [ -0.0005013500000000, -0.0003622300000000, -0.0001113900000000 ] - [ -0.0001526100000000, 0.0017151100000000, -0.0003450900000000 ] - [ 0.0001287800000000, 0.0005689500000000, 0.0001936400000000 ] - [ -0.0022071400000000, -0.0005034800000000, -0.0016280500000000 ] - [ 0.0005896800000000, -0.0004525800000000, -0.0003130800000000 ] - [ 0.0015916900000000, 0.0020696000000000, -0.0056852100000000 ] - [ -0.0007806800000000, -0.0011038300000000, 0.0000351700000000 ] - [ 0.0002353900000000, 0.0072394700000000, -0.0083212900000000 ] - [ 0.0005145900000000, -0.0006235400000000, 0.0005135500000000 ] - [ 0.0013691100000000, 0.0015517600000000, 0.0009103200000000 ] - [ -0.0010530300000000, 0.0009835200000000, -0.0002197200000000 ] - [ -0.0003817800000000, 0.0019732800000000, 0.0013274100000000 ] - [ 0.0001737800000000, 0.0007215600000000, -0.0000656600000000 ] - [ -0.0008877500000000, -0.0066377600000000, -0.0026575300000000 ] - [ 0.0005830500000000, -0.0045392000000000, 0.0002130700000000 ] - [ -0.0583795300000000, -0.3275718200000000, 0.1381549300000000 ] - [ -0.0000829400000000, -0.0016211500000000, 0.0002569200000000 ] - [ 0.0019450000000000, 0.0020683700000000, 0.0015500000000000 ] - [ -0.0040862800000000, 0.0020779300000000, -0.0008475800000000 ] - [ 0.0010975400000000, 0.0007399100000000, 0.0033557300000000 ] - [ -0.0003933300000000, 0.0022162800000000, -0.0020460100000000 ] - [ -0.0009001700000000, 0.0088976200000000, 0.0032700500000000 ] - [ 0.0003787500000000, 0.0009624300000000, -0.0004173600000000 ] - [ 0.0004866500000000, 0.0030936500000000, 0.0006222000000000 ] - [ -0.0003848800000000, 0.0024128900000000, -0.0003022900000000 ] - [ 0.0039800300000000, -0.0036996300000000, 0.0015227800000000 ] - [ -0.0005200400000000, -0.0003629500000000, -0.0001564200000000 ] - [ 0.0001815800000000, -0.0016775900000000, -0.0003028000000000 ] - [ -0.0002950000000000, -0.0002552200000000, 0.0004791400000000 ] - [ -0.0109489400000000, -0.0364497800000000, 0.0065756700000000 ] - [ 0.0001364900000000, 0.0003095300000000, 0.0000880300000000 ] - [ -0.0039746500000000, -0.0002842400000000, 0.0101480100000000 ] - [ 0.0002415000000000, 0.0006044900000000, -0.0004559400000000 ] - [ 0.0000531900000000, 0.0017891000000000, 0.0042571300000000 ] - [ -0.0007069100000000, 0.0013675500000000, -0.0005132800000000 ] - [ -0.0002491200000000, -0.0017192000000000, -0.0008202000000000 ] - [ 0.0000344900000000, -0.0009180200000000, -0.0001118000000000 ] - [ 0.0007319400000000, -0.0054680500000000, 0.0000482800000000 ] - [ -0.0000840300000000, -0.0005876400000000, 0.0001264000000000 ] - [ -0.0005054000000000, -0.0011547500000000, -0.0013431700000000 ] - [ 0.0004020800000000, 0.0001783400000000, 0.0000934500000000 ] - [ -0.0006887200000000, -0.0016664400000000, 0.0004136000000000 ] - [ 0.0009570000000000, -0.0016524700000000, 0.0007789200000000 ] - [ -0.0003400100000000, -0.0010418900000000, -0.0000461800000000 ] - [ -0.0016603000000000, -0.0008888800000000, -0.0008394900000000 ] - [ 0.0003752400000000, -0.0082692500000000, -0.0008101800000000 ] - [ -0.0000299900000000, -0.0001772200000000, 0.0002734500000000 ] - [ 0.0730212000000000, 0.3832112400000000, -0.1743210900000000 ] - [ 0.0002093700000000, 0.0009428800000000, -0.0004184200000000 ] - [ 0.0001646100000000, -0.0019357900000000, -0.0001882200000000 ] - [ -0.0001002700000000, -0.0014901500000000, -0.0001026000000000 ] - [ 0.0001959300000000, 0.0010451100000000, -0.0007158100000000 ] - [ 0.0007765200000000, 0.0000452600000000, 0.0037845800000000 ] - [ 0.0015788500000000, 0.0013719000000000, -0.0004837500000000 ] - [ -0.0010897900000000, 0.0015824100000000, -0.0012916000000000 ] - [ -0.0010151500000000, -0.0001835700000000, 0.0026079400000000 ] - [ -0.0001532000000000, 0.0007570200000000, -0.0000971500000000 ] - [ -0.0006437600000000, -0.0012899000000000, -0.0007860200000000 ] - [ 0.0007179600000000, -0.0008778000000000, -0.0006512100000000 ] - [ -0.0007556200000000, 0.0040443000000000, 0.0015348000000000 ] - [ 0.0013596800000000, 0.0031762800000000, 0.0006622200000000 ] - [ -0.0006681500000000, -0.0004707600000000, -0.0004949600000000 ] - [ 0.0007418200000000, -0.0015492600000000, 0.0003682400000000 ] - [ 0.0006674100000000, 0.0021790200000000, 0.0026076800000000 ] - [ 0.0001893800000000, 0.0010321500000000, 0.0000029600000000 ] - [ -0.0004583000000000, -0.0014524700000000, -0.0003308800000000 ] - [ 0.0000293600000000, -0.0009620400000000, 0.0002082100000000 ] - [ -0.0028880000000000, -0.0002808800000000, -0.0018844600000000 ] - [ 0.0003063900000000, 0.0002044800000000, 0.0013086000000000 ] - [ 0.0002284600000000, -0.0017228300000000, -0.0017343300000000 ] - [ 0.0011707600000000, -0.0009142700000000, 0.0001984900000000 ] - [ -0.0018117800000000, -0.0015521300000000, 0.0003607700000000 ] - [ 0.0015592800000000, 0.0000730700000000, 0.0002158700000000 ] - [ 0.0019586300000000, -0.0108415500000000, 0.0190872800000000 ] - [ -0.0000699900000000, 0.0005636900000000, -0.0003639700000000 ] - [ -0.0007012700000000, -0.0016882100000000, -0.0006628500000000 ] - [ 0.0000438500000000, -0.0005616900000000, 0.0005852300000000 ]- atom: 63 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ -0.0000857200000000, 0.0002677800000000, 0.0002021400000000 ] - [ -0.0001452200000000, 0.0002132400000000, 0.0000971200000000 ] - [ -0.0001009500000000, -0.0000453700000000, 0.0002869500000000 ] - [ -0.0002461100000000, 0.0001281400000000, 0.0005389100000000 ] - [ 0.0003823800000000, -0.0011206200000000, 0.0017168800000000 ] - [ 0.0021667300000000, -0.0003422500000000, 0.0005352200000000 ] - [ -0.0001233900000000, 0.0007339000000000, 0.0004316000000000 ] - [ -0.0002594700000000, 0.0001904100000000, 0.0003155600000000 ] - [ -0.0008705800000000, -0.0016786600000000, -0.0041817200000000 ] - [ -0.0002677500000000, -0.0001522700000000, -0.0006051900000000 ] - [ -0.0000090200000000, -0.0001435500000000, 0.0000778500000000 ] - [ -0.0000208800000000, -0.0000110500000000, -0.0001021900000000 ] - [ -0.0009837300000000, -0.0009915700000000, 0.0004885500000000 ] - [ 0.0000888400000000, -0.0002643300000000, -0.0003835500000000 ] - [ -0.0011288900000000, -0.0000864200000000, 0.0020550900000000 ] - [ -0.0000563800000000, -0.0001280800000000, 0.0001138200000000 ] - [ 0.0000101500000000, 0.0004456700000000, -0.0000188200000000 ] - [ -0.0000156100000000, 0.0001656400000000, 0.0000925200000000 ] - [ -0.0019018400000000, 0.0006956100000000, 0.0017048300000000 ] - [ 0.0005503500000000, 0.0000956100000000, -0.0003350000000000 ] - [ -0.0002708100000000, 0.0078682100000000, -0.0161193500000000 ] - [ -0.0007762900000000, -0.0007025000000000, -0.0000739600000000 ] - [ 0.0005924200000000, 0.0038498900000000, -0.0076338000000000 ] - [ 0.0001970700000000, -0.0007726800000000, -0.0007798600000000 ] - [ -0.0003505700000000, -0.0004704500000000, 0.0003540000000000 ] - [ -0.0003807100000000, 0.0002986300000000, -0.0001227700000000 ] - [ 0.0009419800000000, -0.0002395400000000, -0.0001752600000000 ] - [ -0.0000419700000000, 0.0002027500000000, 0.0000548400000000 ] - [ 0.0021450000000000, -0.0044862100000000, -0.0051773400000000 ] - [ -0.0014350300000000, -0.0010490900000000, 0.0004294100000000 ] - [ -0.0561276000000000, -0.1489209200000000, 0.1335677500000000 ] - [ 0.0000255000000000, -0.0005715600000000, 0.0002090200000000 ] - [ 0.0014056800000000, 0.0036016400000000, 0.0000377000000000 ] - [ -0.0029835500000000, 0.0011014200000000, -0.0004118300000000 ] - [ -0.0002834600000000, 0.0004489900000000, 0.0009564300000000 ] - [ 0.0029209700000000, 0.0022970700000000, -0.0045837800000000 ] - [ 0.0000344400000000, 0.0012229100000000, 0.0016833100000000 ] - [ 0.0003535100000000, 0.0001808100000000, -0.0001745200000000 ] - [ 0.0003136100000000, 0.0008852800000000, -0.0006665300000000 ] - [ -0.0000868100000000, 0.0003732900000000, -0.0000228200000000 ] - [ 0.0033173200000000, -0.0035019900000000, 0.0014550200000000 ] - [ -0.0002251300000000, -0.0006252800000000, 0.0001698300000000 ] - [ -0.0000365900000000, 0.0001713200000000, -0.0002224500000000 ] - [ -0.0001461700000000, 0.0000789700000000, 0.0002800600000000 ] - [ 0.0077464100000000, 0.0078388800000000, -0.0093657000000000 ] - [ -0.0000718300000000, 0.0000087100000000, -0.0000964300000000 ] - [ -0.0161469700000000, -0.0302011400000000, 0.0290745300000000 ] - [ 0.0001892600000000, 0.0001884800000000, -0.0004014700000000 ] - [ -0.0006573100000000, 0.0016245600000000, 0.0033461000000000 ] - [ 0.0008062300000000, 0.0008522800000000, 0.0002016100000000 ] - [ -0.0003047100000000, -0.0003796300000000, 0.0001289800000000 ] - [ -0.0000121300000000, -0.0003776200000000, -0.0000747200000000 ] - [ 0.0000100900000000, -0.0006994300000000, -0.0002832700000000 ] - [ -0.0001161800000000, -0.0000251700000000, 0.0000282800000000 ] - [ -0.0000227300000000, 0.0012831600000000, 0.0001764100000000 ] - [ 0.0002926600000000, 0.0003475200000000, 0.0000417200000000 ] - [ -0.0003473100000000, -0.0009834100000000, 0.0004916100000000 ] - [ 0.0002510900000000, -0.0004665100000000, 0.0001863500000000 ] - [ -0.0021179400000000, -0.0006649600000000, 0.0009584400000000 ] - [ -0.0007950300000000, -0.0005938100000000, -0.0003849100000000 ] - [ 0.0004467700000000, -0.0018051000000000, -0.0007394600000000 ] - [ -0.0000688600000000, 0.0000490200000000, 0.0003533100000000 ] - [ 0.0643884900000000, 0.1858349200000000, -0.1598149000000000 ] - [ 0.0000184700000000, 0.0002769000000000, -0.0003208800000000 ] - [ -0.0000737300000000, -0.0004304100000000, 0.0002955100000000 ] - [ -0.0000181900000000, -0.0002403900000000, 0.0001579500000000 ] - [ 0.0004629700000000, 0.0004775100000000, 0.0002223100000000 ] - [ 0.0005646000000000, -0.0021270200000000, 0.0051374300000000 ] - [ -0.0005793400000000, 0.0011584800000000, 0.0004431700000000 ] - [ 0.0001077300000000, 0.0004489400000000, -0.0008950100000000 ] - [ 0.0008691300000000, -0.0019276400000000, 0.0025929100000000 ] - [ 0.0001956400000000, 0.0008072900000000, 0.0001920700000000 ] - [ -0.0002959000000000, -0.0006780300000000, -0.0006775600000000 ] - [ 0.0004476300000000, -0.0002811800000000, -0.0006683100000000 ] - [ -0.0022850100000000, 0.0022680700000000, 0.0020101800000000 ] - [ 0.0010133500000000, 0.0007587600000000, -0.0005399400000000 ] - [ -0.0000766300000000, -0.0002803500000000, -0.0001657400000000 ] - [ -0.0002457300000000, -0.0009918700000000, 0.0006280800000000 ] - [ -0.0005695800000000, 0.0021330500000000, 0.0072324300000000 ] - [ 0.0005082600000000, 0.0003087400000000, -0.0000196800000000 ] - [ -0.0002543600000000, -0.0002335900000000, 0.0004826700000000 ] - [ -0.0000615000000000, -0.0003161400000000, 0.0002030300000000 ] - [ -0.0006489600000000, -0.0002044700000000, -0.0007224200000000 ] - [ -0.0015342800000000, 0.0004537700000000, 0.0024279100000000 ] - [ 0.0002182300000000, -0.0011040700000000, 0.0002015900000000 ] - [ 0.0009985200000000, -0.0004370300000000, -0.0000487000000000 ] - [ -0.0044144700000000, -0.0042457300000000, 0.0028181000000000 ] - [ 0.0011987200000000, 0.0001143000000000, 0.0000853900000000 ] - [ 0.0053847900000000, -0.0164257400000000, 0.0089307700000000 ] - [ -0.0000953100000000, 0.0000469400000000, 0.0000982600000000 ] - [ -0.0003282600000000, -0.0002073500000000, -0.0003928000000000 ] - [ -0.0000624700000000, -0.0001652800000000, 0.0004011100000000 ]- atom: 63 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ -0.0002075500000000, -0.0003253800000000, -0.0000793900000000 ] - [ -0.0001478100000000, -0.0002724600000000, 0.0000278900000000 ] - [ -0.0002160600000000, -0.0000304900000000, 0.0003395200000000 ] - [ -0.0000903000000000, -0.0002219800000000, 0.0000852100000000 ] - [ -0.0003624600000000, 0.0010534100000000, -0.0020230300000000 ] - [ -0.0021513400000000, 0.0002752700000000, -0.0008203400000000 ] - [ -0.0002577000000000, -0.0006908600000000, 0.0002301700000000 ] - [ -0.0001216300000000, -0.0001453900000000, 0.0003398400000000 ] - [ 0.0012347400000000, 0.0017170500000000, 0.0035287400000000 ] - [ 0.0006521700000000, 0.0001999800000000, -0.0000513600000000 ] - [ 0.0000322100000000, -0.0000022600000000, -0.0002270900000000 ] - [ 0.0000186700000000, -0.0001225600000000, -0.0000382900000000 ] - [ 0.0012228900000000, 0.0008065500000000, -0.0008957200000000 ] - [ 0.0002004000000000, 0.0002107200000000, 0.0002620900000000 ] - [ 0.0012266100000000, 0.0000625400000000, -0.0019157900000000 ] - [ 0.0000582500000000, -0.0000053100000000, 0.0000350600000000 ] - [ -0.0000183000000000, -0.0005194800000000, 0.0003156000000000 ] - [ 0.0000049000000000, -0.0002351800000000, 0.0002049100000000 ] - [ 0.0022315000000000, -0.0007652500000000, -0.0023341600000000 ] - [ -0.0002375700000000, -0.0001733200000000, -0.0002930700000000 ] - [ 0.0001568900000000, -0.0082411900000000, 0.0160013400000000 ] - [ 0.0006916500000000, 0.0002717400000000, -0.0000211600000000 ] - [ -0.0009663000000000, -0.0038847700000000, 0.0075009000000000 ] - [ -0.0005521400000000, 0.0007776700000000, 0.0005914700000000 ] - [ 0.0004320700000000, 0.0000372600000000, -0.0002607400000000 ] - [ 0.0004707700000000, -0.0007346500000000, 0.0002126600000000 ] - [ -0.0005902700000000, 0.0002353000000000, 0.0003623900000000 ] - [ 0.0004014100000000, -0.0001981800000000, 0.0001259200000000 ] - [ -0.0030188200000000, 0.0041946600000000, 0.0052332300000000 ] - [ 0.0006130800000000, 0.0007126000000000, -0.0003863200000000 ] - [ 0.0555938900000000, 0.1432321600000000, -0.1324159300000000 ] - [ -0.0003080400000000, 0.0002351700000000, -0.0003035100000000 ] - [ -0.0017279300000000, -0.0025739000000000, 0.0001425200000000 ] - [ 0.0026602100000000, -0.0001136500000000, 0.0006010300000000 ] - [ 0.0006099500000000, 0.0005420900000000, -0.0011364700000000 ] - [ -0.0025843600000000, -0.0013211900000000, 0.0044098900000000 ] - [ 0.0007832600000000, -0.0015753200000000, -0.0017351600000000 ] - [ 0.0004603400000000, -0.0005181200000000, 0.0001180100000000 ] - [ -0.0000322500000000, -0.0012337700000000, 0.0007623300000000 ] - [ 0.0003700300000000, -0.0007173700000000, 0.0001126400000000 ] - [ -0.0017843600000000, 0.0024610900000000, -0.0010837600000000 ] - [ 0.0017532300000000, -0.0004188400000000, 0.0002069600000000 ] - [ -0.0003157100000000, 0.0003316100000000, 0.0005962500000000 ] - [ -0.0002082100000000, 0.0004186600000000, 0.0000991100000000 ] - [ -0.0077295500000000, -0.0078811200000000, 0.0090232300000000 ] - [ 0.0000326700000000, -0.0003182600000000, -0.0001747200000000 ] - [ 0.0160063800000000, 0.0295117900000000, -0.0290369500000000 ] - [ 0.0001212400000000, -0.0003295300000000, -0.0000590300000000 ] - [ 0.0010266200000000, -0.0011366500000000, -0.0037502600000000 ] - [ -0.0004560500000000, -0.0003564000000000, -0.0005702500000000 ] - [ 0.0000436800000000, 0.0000000300000000, -0.0002668300000000 ] - [ -0.0002484400000000, -0.0000046100000000, -0.0000608700000000 ] - [ -0.0003307500000000, 0.0011555100000000, 0.0001931400000000 ] - [ -0.0002017100000000, 0.0004631000000000, -0.0001157900000000 ] - [ 0.0000450900000000, -0.0001062300000000, -0.0002825300000000 ] - [ -0.0002772800000000, 0.0008292700000000, -0.0001447100000000 ] - [ 0.0003898200000000, 0.0006844300000000, -0.0002224500000000 ] - [ -0.0002107300000000, 0.0001597400000000, 0.0000861100000000 ] - [ 0.0005843100000000, -0.0003663200000000, -0.0013381300000000 ] - [ -0.0007384400000000, -0.0004449500000000, 0.0000090200000000 ] - [ -0.0005795900000000, 0.0021375800000000, 0.0014484500000000 ] - [ -0.0000588900000000, 0.0002719100000000, 0.0003515100000000 ] - [ -0.0636663300000000, -0.1799346100000000, 0.1580027100000000 ] - [ 0.0001880500000000, -0.0001733500000000, -0.0001184700000000 ] - [ -0.0001341000000000, 0.0005393400000000, 0.0001470100000000 ] - [ -0.0001862900000000, 0.0003495900000000, 0.0002849700000000 ] - [ -0.0002317400000000, -0.0002536800000000, 0.0005471500000000 ] - [ -0.0003499100000000, 0.0023622900000000, -0.0043837100000000 ] - [ 0.0007120500000000, -0.0008564400000000, -0.0011385100000000 ] - [ 0.0000282400000000, -0.0001310600000000, 0.0001929000000000 ] - [ -0.0008550600000000, 0.0030806700000000, -0.0025015100000000 ] - [ -0.0002145900000000, 0.0003678700000000, -0.0000847600000000 ] - [ 0.0000689500000000, 0.0008973200000000, -0.0000965000000000 ] - [ -0.0006769600000000, 0.0005060000000000, -0.0001029200000000 ] - [ 0.0026318900000000, -0.0018381100000000, -0.0019224100000000 ] - [ -0.0006857200000000, -0.0003226400000000, 0.0006334100000000 ] - [ -0.0003937300000000, 0.0000185900000000, 0.0002375300000000 ] - [ -0.0002319300000000, 0.0007380700000000, -0.0005569600000000 ] - [ 0.0009213200000000, -0.0020560300000000, -0.0076750200000000 ] - [ -0.0001757700000000, -0.0002104700000000, -0.0004138500000000 ] - [ -0.0000540100000000, 0.0000964900000000, -0.0000185500000000 ] - [ -0.0002522000000000, 0.0001780600000000, 0.0002648900000000 ] - [ -0.0002627700000000, -0.0001229900000000, 0.0018501100000000 ] - [ 0.0006254500000000, -0.0007750200000000, -0.0013088300000000 ] - [ 0.0006852900000000, 0.0007747500000000, -0.0013144400000000 ] - [ -0.0000922600000000, 0.0001141200000000, -0.0010792300000000 ] - [ 0.0048442000000000, 0.0039356100000000, -0.0028710700000000 ] - [ -0.0007262600000000, -0.0003777300000000, -0.0001554600000000 ] - [ -0.0050042700000000, 0.0159462000000000, -0.0088454100000000 ] - [ 0.0003542400000000, -0.0004327200000000, 0.0000430500000000 ] - [ 0.0000009800000000, 0.0003105700000000, 0.0008313600000000 ] - [ -0.0002651200000000, 0.0002653500000000, 0.0000392000000000 ]- atom: 67 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ 0.0006620500000000, -0.0003514700000000, 0.0005474900000000 ] - [ -0.0007781500000000, -0.0001228400000000, -0.0003026500000000 ] - [ 0.0005301000000000, -0.0003690700000000, 0.0007530000000000 ] - [ -0.0007313400000000, -0.0001977800000000, 0.0000031200000000 ] - [ 0.0011267400000000, 0.0003804300000000, 0.0006951500000000 ] - [ -0.0005198900000000, 0.0000665600000000, -0.0005443100000000 ] - [ -0.0003896300000000, 0.0000559000000000, 0.0001775500000000 ] - [ -0.0000906500000000, -0.0005800000000000, 0.0004260000000000 ] - [ 0.0043511800000000, -0.0001914200000000, 0.0002753700000000 ] - [ -0.0016254300000000, 0.0010795100000000, -0.0002676000000000 ] - [ -0.0002546500000000, -0.0003326200000000, -0.0001192200000000 ] - [ 0.0001390400000000, -0.0002438300000000, -0.0000483100000000 ] - [ -0.0006382700000000, 0.0000190700000000, -0.0003228400000000 ] - [ 0.0036904300000000, -0.0027104600000000, 0.0014466400000000 ] - [ -0.0001578100000000, 0.0003329900000000, 0.0009174800000000 ] - [ -0.0008048600000000, -0.0000708800000000, -0.0017915500000000 ] - [ -0.0006740900000000, -0.0000588600000000, -0.0000833400000000 ] - [ 0.0011387900000000, -0.0004540000000000, 0.0003644200000000 ] - [ -0.0006608500000000, 0.0001162100000000, -0.0008283300000000 ] - [ 0.0027524400000000, 0.0003995100000000, 0.0019544400000000 ] - [ -0.0015421300000000, -0.0011639500000000, -0.0009943800000000 ] - [ 0.0008764100000000, 0.0016061200000000, 0.0010218400000000 ] - [ -0.0000557100000000, -0.0023836400000000, -0.0013895500000000 ] - [ -0.0008076800000000, 0.0004813100000000, 0.0000559900000000 ] - [ 0.0045151800000000, 0.0040630600000000, -0.0017257100000000 ] - [ -0.0029317000000000, -0.0018288400000000, 0.0001295200000000 ] - [ -0.0043927900000000, 0.0007390600000000, -0.0001617700000000 ] - [ -0.0083778200000000, -0.0141684200000000, 0.0000965900000000 ] - [ -0.0028063200000000, -0.0043297700000000, -0.0000336800000000 ] - [ -0.0023987900000000, 0.0010028800000000, -0.0011836800000000 ] - [ -0.0017074400000000, -0.0005201600000000, -0.0018230300000000 ] - [ -0.0004178700000000, 0.0009653400000000, 0.0010485100000000 ] - [ -0.0017122400000000, -0.0001552200000000, -0.0004063000000000 ] - [ 0.0021786900000000, 0.0004453200000000, 0.0005931900000000 ] - [ 0.1110759600000000, 0.0733849600000000, -0.0970274300000000 ] - [ -0.0034312000000000, 0.0010263400000000, -0.0009440300000000 ] - [ 0.0002092100000000, 0.0006043300000000, -0.0013996600000000 ] - [ -0.0013029600000000, -0.0014130800000000, 0.0025633600000000 ] - [ -0.0000141000000000, 0.0016715400000000, 0.0004552200000000 ] - [ -0.0022777700000000, -0.0014184400000000, -0.0023021700000000 ] - [ -0.0008082600000000, 0.0004023800000000, 0.0002321400000000 ] - [ 0.0017541100000000, -0.0007172100000000, 0.0003051800000000 ] - [ 0.0008777800000000, -0.0006376200000000, 0.0015307500000000 ] - [ 0.0012922300000000, 0.0039087500000000, -0.0035828200000000 ] - [ 0.0006227200000000, 0.0002707100000000, 0.0005375900000000 ] - [ -0.0004487500000000, -0.0006093700000000, -0.0007575900000000 ] - [ 0.0008913100000000, 0.0002262800000000, 0.0002688600000000 ] - [ 0.0002296300000000, -0.0009311200000000, -0.0010227500000000 ] - [ 0.0010959000000000, 0.0030212200000000, -0.0000333400000000 ] - [ 0.0010208800000000, -0.0001371700000000, -0.0003802900000000 ] - [ 0.0006545200000000, -0.0009487200000000, -0.0005258400000000 ] - [ 0.0014655100000000, 0.0030504400000000, 0.0022916400000000 ] - [ 0.0001466300000000, 0.0000015800000000, 0.0003038100000000 ] - [ -0.0002342800000000, 0.0013569500000000, -0.0010085200000000 ] - [ 0.0041183700000000, -0.0049899900000000, 0.0019856600000000 ] - [ 0.0054360700000000, 0.0029354600000000, -0.0001310200000000 ] - [ 0.0004823300000000, -0.0013398600000000, -0.0009051300000000 ] - [ 0.0008743000000000, 0.0000350700000000, 0.0010292400000000 ] - [ 0.0019722000000000, -0.0001793500000000, 0.0001840500000000 ] - [ 0.0294545500000000, 0.0284565300000000, -0.0177725100000000 ] - [ 0.0001842300000000, 0.0001173900000000, 0.0007683200000000 ] - [ -0.0005816500000000, 0.0002482800000000, -0.0001508600000000 ] - [ 0.0005666100000000, -0.0000232200000000, 0.0003762200000000 ] - [ -0.0007331900000000, -0.0006192700000000, -0.0000984700000000 ] - [ -0.0001701200000000, -0.0004723100000000, -0.0000125000000000 ] - [ 0.0003124100000000, 0.0008830900000000, 0.0010349800000000 ] - [ -0.1312343800000000, -0.0919488300000000, 0.1166610700000000 ] - [ 0.0012333400000000, -0.0000394700000000, 0.0006224600000000 ] - [ 0.0003441100000000, 0.0018164700000000, -0.0011016200000000 ] - [ 0.0004099600000000, -0.0002810300000000, 0.0002491000000000 ] - [ 0.0006217600000000, 0.0011862500000000, 0.0004737300000000 ] - [ 0.0001555200000000, 0.0001527000000000, -0.0002242600000000 ] - [ 0.0003824400000000, 0.0003120300000000, -0.0000938500000000 ] - [ -0.0008430500000000, 0.0003216800000000, -0.0005623900000000 ] - [ 0.0031031500000000, 0.0034944700000000, -0.0025554700000000 ] - [ 0.0010102400000000, -0.0003322800000000, 0.0006021600000000 ] - [ -0.0117558000000000, -0.0039548500000000, 0.0020851300000000 ] - [ 0.0019482400000000, -0.0008181300000000, 0.0001698900000000 ] - [ 0.0014165100000000, 0.0009702500000000, 0.0007006300000000 ] - [ 0.0015127500000000, -0.0017333400000000, 0.0001571400000000 ] - [ -0.0008983500000000, -0.0007979400000000, 0.0000211000000000 ] - [ 0.0010190000000000, 0.0006019100000000, 0.0005425200000000 ] - [ -0.0131375000000000, 0.0023269700000000, -0.0039868600000000 ] - [ 0.0004870000000000, -0.0002402800000000, 0.0012004000000000 ] - [ 0.0009827400000000, -0.0000093300000000, -0.0002519400000000 ] - [ -0.0002574500000000, 0.0000508400000000, -0.0009863100000000 ] - [ 0.0014550900000000, 0.0006020700000000, 0.0001951300000000 ] - [ -0.0011852300000000, -0.0008539400000000, -0.0002593400000000 ] - [ 0.0008753200000000, 0.0008605600000000, 0.0013445200000000 ] - [ 0.0003978200000000, -0.0004993300000000, 0.0000056500000000 ] - [ -0.0009491700000000, -0.0005454700000000, 0.0008997400000000 ] - [ 0.0006858100000000, 0.0006734600000000, -0.0002004900000000 ]- atom: 67 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ -0.0009471700000000, 0.0003078000000000, -0.0004363400000000 ] - [ 0.0004840500000000, 0.0000657400000000, 0.0004255700000000 ] - [ -0.0008465400000000, 0.0002943100000000, -0.0001271600000000 ] - [ 0.0004124500000000, 0.0001217900000000, 0.0006226000000000 ] - [ -0.0011175000000000, -0.0004688500000000, -0.0009992700000000 ] - [ 0.0005304400000000, -0.0001330700000000, 0.0002458200000000 ] - [ 0.0000069300000000, -0.0000072000000000, 0.0004789900000000 ] - [ -0.0002875100000000, 0.0006242700000000, 0.0002313100000000 ] - [ -0.0044874600000000, 0.0001223400000000, -0.0011287600000000 ] - [ 0.0019996400000000, -0.0010274600000000, -0.0003872700000000 ] - [ 0.0002524500000000, 0.0002007800000000, -0.0000252500000000 ] - [ -0.0001379500000000, 0.0001096700000000, -0.0000938200000000 ] - [ 0.0009315000000000, -0.0000733300000000, 0.0001995300000000 ] - [ -0.0034395900000000, 0.0026709000000000, -0.0015694500000000 ] - [ 0.0001468200000000, -0.0004690400000000, -0.0007909100000000 ] - [ 0.0008092300000000, -0.0000656900000000, 0.0019364600000000 ] - [ 0.0006630400000000, -0.0000106100000000, 0.0003789300000000 ] - [ -0.0011396100000000, 0.0003939200000000, -0.0000558900000000 ] - [ 0.0009765100000000, -0.0001932700000000, 0.0002008500000000 ] - [ -0.0024328100000000, -0.0004707600000000, -0.0025472700000000 ] - [ 0.0014603100000000, 0.0007383600000000, 0.0009048900000000 ] - [ -0.0009551700000000, -0.0020320800000000, -0.0011053100000000 ] - [ -0.0003045000000000, 0.0024001100000000, 0.0012136100000000 ] - [ 0.0004511100000000, -0.0004735100000000, -0.0002360100000000 ] - [ -0.0045669400000000, -0.0044860400000000, 0.0018235000000000 ] - [ 0.0030099400000000, 0.0013863300000000, -0.0000354200000000 ] - [ 0.0047583700000000, -0.0007411200000000, 0.0003412800000000 ] - [ 0.0087222300000000, 0.0141183500000000, 0.0000834200000000 ] - [ 0.0019971000000000, 0.0039984100000000, 0.0000778000000000 ] - [ 0.0015813000000000, -0.0013324300000000, 0.0012387300000000 ] - [ 0.0014235800000000, 0.0001821000000000, 0.0017389100000000 ] - [ 0.0001391400000000, -0.0013041300000000, -0.0011425500000000 ] - [ 0.0013836500000000, 0.0011481400000000, 0.0005925200000000 ] - [ -0.0025130100000000, 0.0005500400000000, -0.0004027900000000 ] - [ -0.1111040800000000, -0.0707009300000000, 0.0946678000000000 ] - [ 0.0037600600000000, -0.0000372300000000, 0.0007571500000000 ] - [ 0.0005802200000000, -0.0009458800000000, 0.0013346200000000 ] - [ 0.0021141600000000, 0.0010801200000000, -0.0026043000000000 ] - [ 0.0002796700000000, -0.0020154900000000, -0.0003615800000000 ] - [ 0.0025533100000000, 0.0010749200000000, 0.0023863200000000 ] - [ 0.0023462600000000, -0.0014470800000000, 0.0001425000000000 ] - [ -0.0002203900000000, -0.0003228900000000, 0.0000702500000000 ] - [ -0.0012278500000000, 0.0011417400000000, -0.0011593400000000 ] - [ -0.0016476900000000, -0.0033900200000000, 0.0039354100000000 ] - [ -0.0006636200000000, -0.0005804500000000, -0.0008115900000000 ] - [ 0.0004076200000000, 0.0002982000000000, 0.0004841400000000 ] - [ -0.0005807000000000, -0.0003691900000000, -0.0007359600000000 ] - [ 0.0000764800000000, 0.0007918300000000, 0.0005565200000000 ] - [ -0.0007472500000000, -0.0025416200000000, -0.0003429700000000 ] - [ -0.0006663900000000, 0.0006314500000000, -0.0000008300000000 ] - [ -0.0009109300000000, 0.0005707100000000, 0.0003945600000000 ] - [ -0.0017238200000000, -0.0034135000000000, -0.0024173300000000 ] - [ -0.0004584500000000, 0.0004326300000000, -0.0003874000000000 ] - [ -0.0000838200000000, -0.0009159700000000, 0.0009137400000000 ] - [ -0.0041246500000000, 0.0062356100000000, -0.0021202600000000 ] - [ -0.0053890500000000, -0.0017453000000000, 0.0000260900000000 ] - [ -0.0004419500000000, 0.0010326500000000, 0.0011880300000000 ] - [ -0.0008308500000000, -0.0003423600000000, -0.0007538900000000 ] - [ -0.0035056100000000, -0.0008559700000000, -0.0005600600000000 ] - [ -0.0303563400000000, -0.0289826200000000, 0.0170403700000000 ] - [ -0.0003053000000000, 0.0002016900000000, -0.0000617600000000 ] - [ 0.0004505400000000, 0.0000645600000000, 0.0008430700000000 ] - [ -0.0003563000000000, 0.0001327300000000, -0.0008191900000000 ] - [ 0.0009367500000000, 0.0007262700000000, -0.0003411900000000 ] - [ -0.0000318800000000, 0.0005743800000000, 0.0004522500000000 ] - [ -0.0005171600000000, -0.0007731000000000, -0.0005903500000000 ] - [ 0.1319917100000000, 0.0902554600000000, -0.1133826000000000 ] - [ -0.0010034900000000, 0.0002626000000000, 0.0001498600000000 ] - [ -0.0002164400000000, -0.0015023600000000, 0.0004024500000000 ] - [ -0.0002816500000000, 0.0005970100000000, -0.0009516200000000 ] - [ -0.0006397200000000, -0.0000138900000000, -0.0003705300000000 ] - [ -0.0001751200000000, 0.0010225200000000, 0.0003273000000000 ] - [ -0.0006107100000000, -0.0000889200000000, -0.0006778400000000 ] - [ 0.0006143800000000, -0.0001039000000000, -0.0002121000000000 ] - [ -0.0028034600000000, -0.0030639200000000, 0.0026768800000000 ] - [ -0.0006907400000000, 0.0007666300000000, -0.0005132300000000 ] - [ 0.0112827900000000, 0.0035320200000000, -0.0019170900000000 ] - [ -0.0024171700000000, 0.0005571400000000, -0.0000982200000000 ] - [ -0.0010905900000000, -0.0008753600000000, -0.0011396300000000 ] - [ -0.0011791800000000, 0.0018200200000000, -0.0005990200000000 ] - [ 0.0006105000000000, 0.0006521300000000, 0.0004330400000000 ] - [ -0.0013278100000000, -0.0007390400000000, -0.0000767600000000 ] - [ 0.0120999100000000, -0.0027097800000000, 0.0052308000000000 ] - [ -0.0013934900000000, -0.0000836500000000, -0.0000738100000000 ] - [ -0.0000761600000000, -0.0003156500000000, -0.0008752500000000 ] - [ 0.0011637800000000, -0.0003776500000000, -0.0001418400000000 ] - [ -0.0009843200000000, -0.0008677900000000, -0.0002665000000000 ] - [ 0.0016563400000000, 0.0005904600000000, 0.0001867400000000 ] - [ -0.0006111700000000, -0.0012498300000000, -0.0012117300000000 ] - [ -0.0001383700000000, 0.0001149900000000, 0.0001322200000000 ] - [ 0.0006586600000000, 0.0006388800000000, -0.0004418100000000 ] - [ -0.0010135600000000, -0.0005728000000000, 0.0006342300000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008179200000000, -0.0016431000000000, 0.0019336500000000 ] - [ -0.0001207800000000, -0.0003309400000000, -0.0000226200000000 ] - [ -0.0001984400000000, -0.0014946500000000, 0.0004068900000000 ] - [ -0.0001104700000000, -0.0009087000000000, 0.0003049400000000 ] - [ 0.0004089500000000, -0.0002052400000000, -0.0024483700000000 ] - [ 0.0001447500000000, 0.0002658600000000, 0.0000278900000000 ] - [ 0.0001237100000000, -0.0012615400000000, 0.0003337800000000 ] - [ -0.0002802900000000, -0.0011908000000000, 0.0003006900000000 ] - [ -0.0005010000000000, 0.0038399700000000, -0.0007172200000000 ] - [ 0.0000720400000000, 0.0015447600000000, -0.0002948800000000 ] - [ -0.0001070800000000, -0.0012264600000000, -0.0000710600000000 ] - [ 0.0001392100000000, -0.0012071100000000, 0.0000189000000000 ] - [ -0.0000483900000000, 0.0002485400000000, -0.0002071000000000 ] - [ -0.0022760800000000, 0.0112213700000000, -0.0035285900000000 ] - [ -0.0000249300000000, 0.0013616000000000, 0.0004714400000000 ] - [ 0.0002682700000000, 0.0016096000000000, 0.0000052100000000 ] - [ 0.0001057400000000, -0.0003878800000000, 0.0003199300000000 ] - [ -0.0006972200000000, -0.0025625000000000, -0.0015500800000000 ] - [ 0.0001796500000000, 0.0008561800000000, -0.0003405500000000 ] - [ -0.0003674600000000, 0.0040551000000000, 0.0010056400000000 ] - [ -0.0012925800000000, -0.0007814200000000, -0.0008627000000000 ] - [ 0.0020265100000000, -0.0019607600000000, -0.0010306500000000 ] - [ -0.0010482700000000, -0.0037079000000000, -0.0024659200000000 ] - [ 0.0006645200000000, -0.0011141100000000, 0.0001122400000000 ] - [ 0.0170833200000000, -0.0055790800000000, 0.0005058000000000 ] - [ -0.0012283200000000, -0.0007964100000000, -0.0001192300000000 ] - [ 0.0032951100000000, 0.0006450200000000, -0.0000773000000000 ] - [ -0.0043440600000000, -0.0061719500000000, -0.0006373700000000 ] - [ -0.0051646800000000, -0.0014717900000000, 0.0019878600000000 ] - [ 0.0025038500000000, -0.0000510300000000, 0.0022625500000000 ] - [ -0.0023832200000000, 0.0007421400000000, -0.0024045400000000 ] - [ 0.0007400200000000, -0.0013627500000000, 0.0017655600000000 ] - [ 0.0001655800000000, -0.0014767500000000, 0.0002048300000000 ] - [ -0.0001774900000000, -0.0057676000000000, -0.0001230100000000 ] - [ 0.0754134000000000, 0.1667558000000000, -0.1378169500000000 ] - [ 0.0006277600000000, 0.0024994200000000, 0.0001725300000000 ] - [ 0.0034039300000000, -0.0001293000000000, 0.0031021600000000 ] - [ -0.0010531700000000, -0.0022510800000000, 0.0007492300000000 ] - [ 0.0031165300000000, -0.0012481900000000, -0.0021054400000000 ] - [ -0.0015568400000000, -0.0013950700000000, -0.0018555200000000 ] - [ 0.0000887400000000, 0.0015446900000000, 0.0005697700000000 ] - [ 0.0000958800000000, 0.0004662800000000, 0.0001540400000000 ] - [ -0.0015635500000000, 0.0003299000000000, -0.0002953200000000 ] - [ 0.0013145600000000, 0.0017303100000000, -0.0011820400000000 ] - [ 0.0004940800000000, 0.0002394400000000, 0.0005710000000000 ] - [ -0.0003364800000000, 0.0007591300000000, -0.0010637000000000 ] - [ 0.0008873800000000, -0.0002417300000000, 0.0000787300000000 ] - [ -0.0003620400000000, -0.0000450400000000, -0.0001856800000000 ] - [ 0.0039297800000000, 0.0037536800000000, -0.0006168100000000 ] - [ -0.0008013200000000, 0.0004756300000000, -0.0002457900000000 ] - [ -0.0013925900000000, -0.0000124000000000, 0.0000243400000000 ] - [ 0.0015151700000000, 0.0011858700000000, 0.0013506800000000 ] - [ -0.0009871900000000, 0.0014085400000000, -0.0010297200000000 ] - [ 0.0000371400000000, 0.0016457500000000, -0.0002809300000000 ] - [ -0.0060798900000000, -0.0002108300000000, -0.0005116400000000 ] - [ 0.0030288400000000, 0.0013793500000000, 0.0000550400000000 ] - [ -0.0007921000000000, -0.0003885000000000, 0.0005761600000000 ] - [ 0.0003535000000000, -0.0002927800000000, 0.0006391000000000 ] - [ -0.0020207100000000, -0.0018673300000000, -0.0001323900000000 ] - [ 0.0135232300000000, 0.0019272800000000, -0.0081512600000000 ] - [ -0.0005613300000000, -0.0004010300000000, -0.0004901300000000 ] - [ 0.0004228700000000, 0.0004603900000000, 0.0013964400000000 ] - [ 0.0004785800000000, -0.0008727300000000, 0.0003542600000000 ] - [ -0.0005749800000000, 0.0001215500000000, -0.0030158600000000 ] - [ -0.0006572100000000, 0.0014538800000000, 0.0008305400000000 ] - [ 0.0000856800000000, 0.0010403700000000, 0.0007409800000000 ] - [ -0.0929118500000000, -0.2030274500000000, 0.1751771900000000 ] - [ -0.0000377600000000, -0.0008707000000000, 0.0006932400000000 ] - [ 0.0008178500000000, 0.0013896100000000, -0.0011668600000000 ] - [ -0.0004512700000000, 0.0006314000000000, -0.0009543600000000 ] - [ 0.0011794000000000, 0.0016740400000000, 0.0006651300000000 ] - [ -0.0009927400000000, 0.0016899900000000, 0.0001785800000000 ] - [ -0.0003155500000000, 0.0010583300000000, -0.0000942900000000 ] - [ -0.0003256900000000, 0.0028661900000000, 0.0003863600000000 ] - [ 0.0030136600000000, 0.0004968800000000, -0.0017985300000000 ] - [ -0.0005006300000000, -0.0006363000000000, -0.0003829600000000 ] - [ -0.0017329700000000, 0.0312636400000000, -0.0225998700000000 ] - [ 0.0003993000000000, -0.0008744500000000, -0.0000118600000000 ] - [ 0.0017892100000000, 0.0002522000000000, 0.0006312400000000 ] - [ -0.0029960200000000, 0.0010176200000000, -0.0010817100000000 ] - [ -0.0033307200000000, 0.0019521100000000, 0.0026681500000000 ] - [ 0.0005167800000000, 0.0004562100000000, 0.0004792400000000 ] - [ 0.0009348300000000, -0.0131809400000000, 0.0029868900000000 ] - [ -0.0006254200000000, -0.0010525700000000, 0.0001500900000000 ] - [ 0.0003694600000000, 0.0006935100000000, -0.0008574700000000 ] - [ 0.0003783700000000, 0.0020391800000000, -0.0010821000000000 ] - [ 0.0009310500000000, 0.0008507900000000, 0.0000270600000000 ] - [ 0.0000113700000000, 0.0040484200000000, 0.0005304800000000 ] - [ 0.0019830400000000, 0.0006933300000000, 0.0021126000000000 ] - [ -0.0007021700000000, 0.0004159700000000, -0.0009458800000000 ] - [ -0.0049308800000000, 0.0019410900000000, -0.0036795900000000 ] - [ 0.0007191500000000, 0.0006609800000000, 0.0005167900000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005173900000000, 0.0015941100000000, -0.0017973200000000 ] - [ -0.0001717800000000, 0.0002770400000000, 0.0001462800000000 ] - [ -0.0001184900000000, 0.0014198600000000, 0.0002191100000000 ] - [ -0.0002056700000000, 0.0008323800000000, 0.0003227100000000 ] - [ -0.0004013000000000, 0.0001122600000000, 0.0021675000000000 ] - [ -0.0001346900000000, -0.0003346800000000, -0.0003261500000000 ] - [ -0.0005004200000000, 0.0013072500000000, 0.0003223600000000 ] - [ -0.0001033700000000, 0.0012392800000000, 0.0003553900000000 ] - [ 0.0008506600000000, -0.0038012000000000, 0.0000604800000000 ] - [ 0.0003110500000000, -0.0015044700000000, -0.0003602000000000 ] - [ 0.0001102600000000, 0.0010937600000000, -0.0000660500000000 ] - [ -0.0001405300000000, 0.0010762700000000, -0.0001614400000000 ] - [ 0.0003423600000000, -0.0003044300000000, 0.0000843300000000 ] - [ 0.0027829100000000, -0.0120411700000000, 0.0037945400000000 ] - [ 0.0000064100000000, -0.0014960900000000, -0.0003512900000000 ] - [ -0.0002614000000000, -0.0017462000000000, 0.0001458400000000 ] - [ -0.0001147800000000, 0.0003203500000000, -0.0000210200000000 ] - [ 0.0006817700000000, 0.0024901800000000, 0.0018342600000000 ] - [ 0.0001369600000000, -0.0009329100000000, -0.0002859000000000 ] - [ 0.0006870900000000, -0.0041530900000000, -0.0016338700000000 ] - [ 0.0012132200000000, 0.0003466900000000, 0.0007734400000000 ] - [ -0.0021336300000000, 0.0015299500000000, 0.0009485800000000 ] - [ 0.0007015300000000, 0.0037207500000000, 0.0022944600000000 ] - [ -0.0010271300000000, 0.0011212000000000, -0.0002930500000000 ] - [ -0.0168586800000000, 0.0051529900000000, -0.0004297600000000 ] - [ 0.0013201600000000, 0.0003712300000000, 0.0002112000000000 ] - [ -0.0029436900000000, -0.0006349900000000, 0.0002559000000000 ] - [ 0.0047390600000000, 0.0062246000000000, 0.0008188500000000 ] - [ 0.0043665700000000, 0.0011112900000000, -0.0019520000000000 ] - [ -0.0033297300000000, -0.0002889500000000, -0.0022156500000000 ] - [ 0.0021074400000000, -0.0010971100000000, 0.0023246300000000 ] - [ -0.0010240900000000, 0.0010115500000000, -0.0018631800000000 ] - [ -0.0004935400000000, 0.0024674200000000, -0.0000166300000000 ] - [ -0.0001460600000000, 0.0067695800000000, 0.0003106500000000 ] - [ -0.0718561400000000, -0.1635599800000000, 0.1319667500000000 ] - [ -0.0002977900000000, -0.0015124300000000, -0.0003596400000000 ] - [ -0.0025760200000000, -0.0001924100000000, -0.0031442900000000 ] - [ 0.0018724600000000, 0.0019281300000000, -0.0008091200000000 ] - [ -0.0028236400000000, 0.0009314100000000, 0.0021802900000000 ] - [ 0.0018424300000000, 0.0010609900000000, 0.0019535700000000 ] - [ 0.0014398200000000, -0.0025879100000000, -0.0001943200000000 ] - [ 0.0014374500000000, -0.0015096800000000, 0.0002224700000000 ] - [ 0.0012061100000000, 0.0001591400000000, 0.0006773000000000 ] - [ -0.0016737200000000, -0.0012542400000000, 0.0015714400000000 ] - [ -0.0005371700000000, -0.0005493100000000, -0.0008489200000000 ] - [ 0.0002969700000000, -0.0010712000000000, 0.0007948000000000 ] - [ -0.0005793500000000, 0.0001077900000000, -0.0005444100000000 ] - [ 0.0006744000000000, -0.0000848900000000, -0.0002832800000000 ] - [ -0.0036058200000000, -0.0032803000000000, 0.0002523900000000 ] - [ 0.0011581400000000, 0.0000189800000000, -0.0001323200000000 ] - [ 0.0011285400000000, -0.0003784800000000, -0.0001616400000000 ] - [ -0.0017780900000000, -0.0015849600000000, -0.0014959400000000 ] - [ 0.0006643700000000, -0.0009680000000000, 0.0009345600000000 ] - [ -0.0003530500000000, -0.0012143300000000, 0.0001960300000000 ] - [ 0.0060799800000000, 0.0013629100000000, 0.0004069100000000 ] - [ -0.0030235000000000, -0.0002055300000000, -0.0001598900000000 ] - [ 0.0008331800000000, 0.0000576400000000, -0.0002894000000000 ] - [ -0.0003143300000000, -0.0000220600000000, -0.0003648500000000 ] - [ 0.0004876300000000, 0.0008239500000000, -0.0002432500000000 ] - [ -0.0149984200000000, -0.0031132000000000, 0.0077134800000000 ] - [ 0.0004350100000000, 0.0007058600000000, 0.0011858500000000 ] - [ -0.0005516000000000, -0.0001552900000000, -0.0006959700000000 ] - [ -0.0002673100000000, 0.0009947300000000, -0.0007979000000000 ] - [ 0.0007834300000000, 0.0000017400000000, 0.0025810700000000 ] - [ 0.0004491200000000, -0.0013495800000000, -0.0003861000000000 ] - [ -0.0002922300000000, -0.0009326200000000, -0.0003003700000000 ] - [ 0.0896801000000000, 0.2014020700000000, -0.1688043400000000 ] - [ 0.0002654900000000, 0.0010932300000000, 0.0000808200000000 ] - [ -0.0006930100000000, -0.0010716200000000, 0.0004701400000000 ] - [ 0.0005809200000000, -0.0003180500000000, 0.0002561500000000 ] - [ -0.0012038000000000, -0.0004967200000000, -0.0005617900000000 ] - [ 0.0009827900000000, -0.0005134100000000, -0.0000739400000000 ] - [ 0.0000860700000000, -0.0008376700000000, -0.0006804200000000 ] - [ 0.0001011100000000, -0.0026480700000000, -0.0011660200000000 ] - [ -0.0027092600000000, -0.0000370600000000, 0.0019074500000000 ] - [ 0.0008193400000000, 0.0010819200000000, 0.0004745700000000 ] - [ 0.0012521900000000, -0.0307313400000000, 0.0221579000000000 ] - [ -0.0008775500000000, 0.0006111000000000, 0.0000834300000000 ] - [ -0.0014672800000000, -0.0001477300000000, -0.0010706700000000 ] - [ 0.0033411700000000, -0.0009210600000000, 0.0006461300000000 ] - [ 0.0030003800000000, -0.0020897400000000, -0.0021847100000000 ] - [ -0.0008303100000000, -0.0005982900000000, -0.0000167600000000 ] - [ -0.0019047000000000, 0.0127168400000000, -0.0016389900000000 ] - [ -0.0002821300000000, 0.0007284200000000, 0.0009742000000000 ] - [ 0.0005356700000000, -0.0010190200000000, -0.0002685500000000 ] - [ 0.0005286600000000, -0.0023679600000000, -0.0000370600000000 ] - [ -0.0004587300000000, -0.0011139800000000, -0.0000981400000000 ] - [ 0.0004717200000000, -0.0043298700000000, -0.0006059700000000 ] - [ -0.0017311100000000, -0.0010754600000000, -0.0019881900000000 ] - [ 0.0009665000000000, -0.0007990000000000, 0.0010857400000000 ] - [ 0.0045675100000000, -0.0018334900000000, 0.0040927400000000 ] - [ -0.0010484700000000, -0.0005656300000000, -0.0000759500000000 ]- atom: 67 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ 0.0000189900000000, 0.0016608400000000, -0.0009067500000000 ] - [ -0.0001679900000000, 0.0000398300000000, 0.0001464800000000 ] - [ -0.0001320200000000, 0.0005538400000000, 0.0001448000000000 ] - [ -0.0001739900000000, 0.0002624600000000, 0.0003467900000000 ] - [ 0.0001874900000000, -0.0037397800000000, -0.0018369900000000 ] - [ -0.0002850200000000, -0.0000709800000000, -0.0002259200000000 ] - [ -0.0002859100000000, 0.0003791600000000, 0.0004423600000000 ] - [ -0.0000685100000000, 0.0006367800000000, 0.0001985900000000 ] - [ 0.0001624000000000, -0.0000353100000000, 0.0033877500000000 ] - [ 0.0011553500000000, -0.0010395300000000, -0.0004744700000000 ] - [ 0.0002044200000000, 0.0003158600000000, -0.0001654800000000 ] - [ -0.0002101200000000, 0.0004204600000000, -0.0000008100000000 ] - [ 0.0003428800000000, -0.0001817400000000, -0.0001934400000000 ] - [ -0.0000881600000000, -0.0019081300000000, 0.0026114600000000 ] - [ -0.0013566900000000, -0.0003614500000000, -0.0034913300000000 ] - [ -0.0020359900000000, -0.0009537200000000, -0.0004713900000000 ] - [ 0.0001235600000000, 0.0001374100000000, 0.0000419300000000 ] - [ -0.0003343200000000, -0.0002307000000000, 0.0012366000000000 ] - [ 0.0000045900000000, -0.0003244200000000, -0.0002678400000000 ] - [ 0.0023158100000000, -0.0007106800000000, -0.0037028900000000 ] - [ 0.0004682900000000, 0.0001732400000000, 0.0010682000000000 ] - [ 0.0000710900000000, -0.0004741600000000, 0.0005650600000000 ] - [ -0.0001615400000000, 0.0011128300000000, 0.0026406100000000 ] - [ -0.0000556700000000, 0.0006864700000000, -0.0006490600000000 ] - [ -0.0079596400000000, -0.0001205400000000, 0.0021735400000000 ] - [ 0.0015457700000000, 0.0011532000000000, -0.0004993100000000 ] - [ 0.0009261300000000, -0.0006395300000000, 0.0002384200000000 ] - [ 0.0073565200000000, 0.0100386200000000, -0.0006602400000000 ] - [ 0.0026730300000000, 0.0037490000000000, 0.0004471400000000 ] - [ -0.0010262600000000, -0.0002310600000000, -0.0001079900000000 ] - [ -0.0006955500000000, -0.0013443200000000, 0.0009474100000000 ] - [ 0.0019890800000000, 0.0030508600000000, -0.0045496600000000 ] - [ -0.0002453200000000, 0.0013030100000000, 0.0000285800000000 ] - [ -0.0008445500000000, 0.0016902500000000, 0.0005010500000000 ] - [ -0.1302395400000000, -0.1462583500000000, 0.2589395600000000 ] - [ 0.0010058200000000, -0.0003734400000000, -0.0004734200000000 ] - [ -0.0012207600000000, 0.0002494900000000, -0.0000208500000000 ] - [ 0.0032910300000000, -0.0011284500000000, -0.0048135700000000 ] - [ -0.0001824800000000, -0.0011618400000000, 0.0009093000000000 ] - [ 0.0016661000000000, 0.0004273600000000, 0.0020998700000000 ] - [ 0.0012836700000000, -0.0011542400000000, -0.0002087500000000 ] - [ 0.0009566500000000, -0.0009820800000000, 0.0002912200000000 ] - [ -0.0000335500000000, 0.0006888800000000, -0.0005182800000000 ] - [ -0.0026547700000000, -0.0021741700000000, 0.0034411500000000 ] - [ -0.0000288800000000, 0.0001223600000000, -0.0002110000000000 ] - [ -0.0001930600000000, -0.0012315500000000, 0.0009101500000000 ] - [ 0.0003556200000000, 0.0000858400000000, -0.0009606200000000 ] - [ -0.0017252200000000, 0.0003762300000000, 0.0013478300000000 ] - [ -0.0014561500000000, -0.0021584300000000, -0.0011001100000000 ] - [ 0.0003385400000000, 0.0002034900000000, -0.0000207400000000 ] - [ 0.0000495200000000, -0.0000764000000000, -0.0000070100000000 ] - [ -0.0015111600000000, -0.0026314100000000, -0.0021077800000000 ] - [ 0.0001426000000000, -0.0003089800000000, 0.0001145900000000 ] - [ -0.0006605100000000, 0.0002372700000000, 0.0008703200000000 ] - [ 0.0003927300000000, 0.0031906900000000, -0.0021225400000000 ] - [ -0.0038398200000000, -0.0008624500000000, 0.0002263300000000 ] - [ -0.0014813600000000, 0.0005087100000000, 0.0018685900000000 ] - [ -0.0000870400000000, 0.0000358600000000, -0.0005075200000000 ] - [ -0.0011225400000000, -0.0001651700000000, -0.0002529900000000 ] - [ -0.0197894800000000, -0.0184281900000000, 0.0016307200000000 ] - [ 0.0005376800000000, -0.0002382400000000, 0.0005136600000000 ] - [ 0.0002297700000000, 0.0029461100000000, 0.0031863600000000 ] - [ 0.0008209900000000, 0.0010826100000000, -0.0002044700000000 ] - [ 0.0007539000000000, -0.0027522900000000, 0.0046400000000000 ] - [ 0.0000344300000000, -0.0000863600000000, 0.0000778300000000 ] - [ -0.0002597000000000, -0.0005383500000000, -0.0003977100000000 ] - [ 0.1570557300000000, 0.1888423300000000, -0.2990867600000000 ] - [ -0.0001449600000000, 0.0004534900000000, 0.0004859400000000 ] - [ -0.0004846200000000, -0.0014264700000000, 0.0004409500000000 ] - [ 0.0002789700000000, 0.0000395100000000, -0.0003705300000000 ] - [ -0.0003096900000000, 0.0002027000000000, -0.0007065000000000 ] - [ -0.0001623700000000, 0.0003792400000000, 0.0000606600000000 ] - [ -0.0000605600000000, -0.0002374200000000, -0.0005346100000000 ] - [ 0.0000353400000000, -0.0006803100000000, -0.0005288500000000 ] - [ -0.0049871100000000, -0.0027133100000000, 0.0037108600000000 ] - [ 0.0005174700000000, 0.0004800500000000, -0.0000735400000000 ] - [ 0.0047258300000000, -0.0084469600000000, -0.0044579300000000 ] - [ -0.0011264600000000, 0.0002460000000000, 0.0001690300000000 ] - [ -0.0010190100000000, -0.0005668400000000, -0.0013299200000000 ] - [ 0.0008295500000000, 0.0000462400000000, -0.0007514000000000 ] - [ 0.0011541800000000, -0.0006733300000000, -0.0009067100000000 ] - [ -0.0007969900000000, -0.0004984900000000, 0.0001313500000000 ] - [ -0.0071238100000000, -0.0145656500000000, 0.0356027000000000 ] - [ -0.0003939200000000, 0.0002052900000000, 0.0008948900000000 ] - [ 0.0004076900000000, -0.0004782000000000, -0.0004437800000000 ] - [ 0.0006601100000000, -0.0007328300000000, -0.0006938300000000 ] - [ -0.0001091800000000, -0.0005764200000000, -0.0001570200000000 ] - [ 0.0003431600000000, -0.0004428900000000, -0.0005274100000000 ] - [ 0.0005140900000000, 0.0004319300000000, -0.0010176200000000 ] - [ 0.0002469800000000, -0.0012699600000000, 0.0016766000000000 ] - [ 0.0017248300000000, -0.0003190800000000, 0.0007443100000000 ] - [ -0.0005664600000000, -0.0001412100000000, 0.0015658000000000 ]- atom: 67 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ -0.0003058400000000, -0.0017223200000000, 0.0010165600000000 ] - [ -0.0001266100000000, -0.0000965700000000, -0.0000235300000000 ] - [ -0.0001843700000000, -0.0006300200000000, 0.0004821600000000 ] - [ -0.0001426800000000, -0.0003400700000000, 0.0002807500000000 ] - [ -0.0001695800000000, 0.0036869700000000, 0.0015135000000000 ] - [ 0.0002930100000000, 0.0000053300000000, -0.0000718200000000 ] - [ -0.0000959700000000, -0.0003332900000000, 0.0002155900000000 ] - [ -0.0003102900000000, -0.0005937600000000, 0.0004568300000000 ] - [ 0.0001991600000000, 0.0000715200000000, -0.0040363000000000 ] - [ -0.0007736000000000, 0.0010880200000000, -0.0001850200000000 ] - [ -0.0002022700000000, -0.0004502100000000, 0.0000233100000000 ] - [ 0.0002088900000000, -0.0005561900000000, -0.0001384100000000 ] - [ -0.0000483100000000, 0.0001292300000000, 0.0000722400000000 ] - [ 0.0003997800000000, 0.0017872400000000, -0.0027216600000000 ] - [ 0.0013773800000000, 0.0002256300000000, 0.0036504900000000 ] - [ 0.0020317000000000, 0.0008194500000000, 0.0006247000000000 ] - [ -0.0001324600000000, -0.0002081800000000, 0.0002564100000000 ] - [ 0.0003260600000000, 0.0001642600000000, -0.0009272700000000 ] - [ 0.0003130600000000, 0.0002489100000000, -0.0003590700000000 ] - [ -0.0021410000000000, 0.0007400700000000, 0.0034581200000000 ] - [ -0.0005525400000000, -0.0006023300000000, -0.0011514100000000 ] - [ -0.0001391600000000, 0.0000390700000000, -0.0006729000000000 ] - [ -0.0002030200000000, -0.0011125100000000, -0.0028112900000000 ] - [ -0.0002989400000000, -0.0006776100000000, 0.0004613300000000 ] - [ 0.0079873700000000, -0.0002648100000000, -0.0020780600000000 ] - [ -0.0014653000000000, -0.0015857400000000, 0.0005862100000000 ] - [ -0.0005951300000000, 0.0006496100000000, -0.0000492900000000 ] - [ -0.0069869700000000, -0.0100328100000000, 0.0008521400000000 ] - [ -0.0034828700000000, -0.0040499000000000, -0.0003629500000000 ] - [ 0.0002269300000000, -0.0001036900000000, 0.0001787900000000 ] - [ 0.0004048400000000, 0.0010144600000000, -0.0010567300000000 ] - [ -0.0022692700000000, -0.0033692000000000, 0.0044409000000000 ] - [ -0.0000833800000000, -0.0003141500000000, 0.0001589000000000 ] - [ 0.0005092000000000, -0.0007138500000000, -0.0003108700000000 ] - [ 0.1372913400000000, 0.1584702400000000, -0.2707582400000000 ] - [ -0.0006831500000000, 0.0013619200000000, 0.0002861400000000 ] - [ 0.0020288900000000, -0.0005938000000000, -0.0000561800000000 ] - [ -0.0024781200000000, 0.0007793100000000, 0.0047474700000000 ] - [ 0.0004638300000000, 0.0007967100000000, -0.0007792300000000 ] - [ -0.0013855100000000, -0.0007706500000000, -0.0020077100000000 ] - [ 0.0002530600000000, 0.0001111100000000, 0.0005823800000000 ] - [ 0.0005769900000000, -0.0000616600000000, 0.0000850200000000 ] - [ -0.0003146800000000, -0.0001927200000000, 0.0009002900000000 ] - [ 0.0022951000000000, 0.0026732300000000, -0.0030568500000000 ] - [ -0.0000097500000000, -0.0004284100000000, -0.0000547300000000 ] - [ 0.0001530600000000, 0.0009186600000000, -0.0011798400000000 ] - [ -0.0000435800000000, -0.0002242500000000, 0.0004956500000000 ] - [ 0.0020286200000000, -0.0005228500000000, -0.0017970800000000 ] - [ 0.0018193500000000, 0.0026450200000000, 0.0007038400000000 ] - [ 0.0000107400000000, 0.0002957600000000, -0.0003526600000000 ] - [ -0.0003107600000000, -0.0003083100000000, -0.0001431100000000 ] - [ 0.0012481600000000, 0.0022576200000000, 0.0019756100000000 ] - [ -0.0004570000000000, 0.0007425700000000, -0.0001966000000000 ] - [ 0.0003424300000000, 0.0002032300000000, -0.0009575200000000 ] - [ -0.0003297500000000, -0.0020427700000000, 0.0020161100000000 ] - [ 0.0038657400000000, 0.0020377700000000, -0.0003283100000000 ] - [ 0.0015139300000000, -0.0007824200000000, -0.0016175400000000 ] - [ 0.0001286400000000, -0.0003396900000000, 0.0007784000000000 ] - [ -0.0004025100000000, -0.0008755300000000, -0.0001233500000000 ] - [ 0.0184336400000000, 0.0175717600000000, -0.0019827500000000 ] - [ -0.0006708400000000, 0.0005666000000000, 0.0001965700000000 ] - [ -0.0003497100000000, -0.0026119400000000, -0.0024775200000000 ] - [ -0.0006214100000000, -0.0009854300000000, -0.0002314200000000 ] - [ -0.0005337600000000, 0.0028369800000000, -0.0050571500000000 ] - [ -0.0002406600000000, 0.0001980900000000, 0.0003600700000000 ] - [ 0.0000551700000000, 0.0006447300000000, 0.0008410200000000 ] - [ -0.1636593900000000, -0.2002396300000000, 0.3117248900000000 ] - [ 0.0003759200000000, -0.0002291700000000, 0.0002821600000000 ] - [ 0.0006121000000000, 0.0017359000000000, -0.0011466800000000 ] - [ -0.0001511400000000, 0.0002832900000000, -0.0003383000000000 ] - [ 0.0002928000000000, 0.0009692100000000, 0.0008067400000000 ] - [ 0.0001377300000000, 0.0007942400000000, 0.0000480400000000 ] - [ -0.0001691900000000, 0.0004626800000000, -0.0002333900000000 ] - [ -0.0002657500000000, 0.0009063300000000, -0.0002379600000000 ] - [ 0.0052705600000000, 0.0031098100000000, -0.0036173600000000 ] - [ -0.0002033800000000, -0.0000499900000000, 0.0001580500000000 ] - [ -0.0052305300000000, 0.0080684000000000, 0.0046806200000000 ] - [ 0.0006588600000000, -0.0005103100000000, -0.0000960900000000 ] - [ 0.0013408800000000, 0.0006615300000000, 0.0008802600000000 ] - [ -0.0005185800000000, 0.0000617600000000, 0.0003084700000000 ] - [ -0.0014519400000000, 0.0005316700000000, 0.0013523100000000 ] - [ 0.0004869600000000, 0.0003605800000000, 0.0003370800000000 ] - [ 0.0062998500000000, 0.0145328000000000, -0.0353767600000000 ] - [ -0.0005103400000000, -0.0005296900000000, 0.0002351900000000 ] - [ 0.0004980200000000, 0.0001546500000000, -0.0006862700000000 ] - [ 0.0002469500000000, 0.0004104700000000, -0.0004374700000000 ] - [ 0.0005789600000000, 0.0003123300000000, 0.0000849800000000 ] - [ 0.0001252400000000, 0.0001932700000000, 0.0004599900000000 ] - [ -0.0002405500000000, -0.0008078500000000, 0.0011654000000000 ] - [ 0.0000183200000000, 0.0008792600000000, -0.0015294700000000 ] - [ -0.0020317800000000, 0.0004112500000000, -0.0002855400000000 ] - [ 0.0002441400000000, 0.0002437400000000, -0.0011219900000000 ]- atom: 77 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ 0.0043966700000000, -0.0013048800000000, 0.0015914800000000 ] - [ -0.0020808500000000, 0.0000222300000000, -0.0007203200000000 ] - [ 0.0009753800000000, 0.0006352700000000, 0.0011389000000000 ] - [ -0.0013101800000000, 0.0005558200000000, -0.0002443300000000 ] - [ 0.0004910100000000, 0.0013952900000000, 0.0005837000000000 ] - [ -0.0005379900000000, -0.0000881200000000, -0.0005729700000000 ] - [ -0.0015615600000000, 0.0023780800000000, 0.0001883900000000 ] - [ -0.0004124000000000, -0.0011837300000000, 0.0004186100000000 ] - [ 0.0019059000000000, -0.0025649400000000, -0.0000093700000000 ] - [ -0.0026812500000000, 0.0017191800000000, -0.0005513500000000 ] - [ -0.0000392600000000, 0.0014011500000000, -0.0002883100000000 ] - [ -0.0000370400000000, -0.0002890800000000, -0.0000619700000000 ] - [ -0.0002814900000000, -0.0001032300000000, -0.0001519100000000 ] - [ 0.0005453300000000, 0.0010335100000000, -0.0003175800000000 ] - [ 0.0012497700000000, -0.0018433600000000, 0.0013945800000000 ] - [ -0.0008649000000000, 0.0003680300000000, -0.0015432200000000 ] - [ -0.0016712700000000, 0.0002187700000000, -0.0008650100000000 ] - [ 0.0044212700000000, -0.0010721600000000, 0.0009985300000000 ] - [ -0.0012239700000000, -0.0006597700000000, -0.0011986100000000 ] - [ 0.0015763200000000, -0.0006487200000000, 0.0010184500000000 ] - [ -0.0005235800000000, 0.0000632800000000, 0.0001274800000000 ] - [ 0.0006144800000000, 0.0014283000000000, -0.0002324500000000 ] - [ 0.0003902600000000, 0.0012709500000000, 0.0002288700000000 ] - [ -0.0012127300000000, 0.0009144700000000, -0.0003522500000000 ] - [ 0.1144436700000000, -0.0107279600000000, 0.0019244600000000 ] - [ -0.0055528400000000, -0.0016898600000000, -0.0006192500000000 ] - [ -0.0128221300000000, 0.0028096100000000, -0.0001192100000000 ] - [ -0.0145106900000000, -0.0134513900000000, 0.0019751100000000 ] - [ 0.0008568900000000, 0.0008452500000000, 0.0005482300000000 ] - [ -0.0019915200000000, 0.0009700100000000, -0.0008416600000000 ] - [ 0.0005854500000000, -0.0002766400000000, 0.0003557800000000 ] - [ -0.0012699300000000, 0.0016378200000000, 0.0002562600000000 ] - [ -0.0025176900000000, 0.0017415700000000, -0.0008105200000000 ] - [ 0.0031069000000000, 0.0018301900000000, 0.0005485400000000 ] - [ 0.0764179100000000, -0.0424568100000000, -0.0011071700000000 ] - [ -0.0073649100000000, -0.0000620800000000, -0.0018477900000000 ] - [ -0.0097613100000000, -0.0032470200000000, -0.0115894300000000 ] - [ -0.0032816100000000, -0.0043177000000000, 0.0043963900000000 ] - [ -0.0079314300000000, -0.0042944600000000, 0.0135968900000000 ] - [ -0.0057156600000000, -0.0022910900000000, -0.0055226300000000 ] - [ -0.0008449400000000, -0.0013776800000000, -0.0001569700000000 ] - [ 0.0025249100000000, -0.0012266700000000, 0.0004861100000000 ] - [ 0.0043724600000000, -0.0004423200000000, 0.0023614400000000 ] - [ 0.0053737200000000, 0.0042634600000000, -0.0053172400000000 ] - [ 0.0001115600000000, -0.0005307300000000, -0.0001592500000000 ] - [ -0.0001206500000000, -0.0008901900000000, -0.0005108900000000 ] - [ 0.0001741700000000, 0.0000684900000000, -0.0000923600000000 ] - [ 0.0005442500000000, -0.0014580300000000, -0.0005194000000000 ] - [ -0.0004520300000000, -0.0004385800000000, -0.0005428700000000 ] - [ 0.0009269300000000, -0.0001123200000000, -0.0002257800000000 ] - [ 0.0035815600000000, -0.0009121500000000, -0.0019597400000000 ] - [ 0.0056044900000000, 0.0040284900000000, 0.0048188500000000 ] - [ 0.0035675300000000, -0.0026062100000000, 0.0041784500000000 ] - [ -0.0005236500000000, 0.0022701800000000, -0.0016607200000000 ] - [ 0.0459780400000000, 0.0057971800000000, -0.0004018700000000 ] - [ 0.0074474300000000, 0.0034572200000000, -0.0001231900000000 ] - [ -0.0004123900000000, 0.0026871900000000, -0.0046554700000000 ] - [ 0.0021249300000000, -0.0002741900000000, 0.0023279600000000 ] - [ 0.0072743500000000, 0.0028527300000000, 0.0000646600000000 ] - [ 0.0365060500000000, -0.0272963000000000, 0.0014085800000000 ] - [ 0.0013317200000000, 0.0021631500000000, 0.0035648400000000 ] - [ 0.0000680500000000, 0.0008206800000000, -0.0001688400000000 ] - [ -0.0002979800000000, 0.0004907600000000, -0.0002362100000000 ] - [ 0.0003504200000000, -0.0009245500000000, -0.0001140700000000 ] - [ 0.0015197400000000, -0.0019889900000000, -0.0040924800000000 ] - [ 0.0011221800000000, 0.0013712000000000, 0.0018543400000000 ] - [ -0.0114083000000000, -0.0012557400000000, 0.0004455400000000 ] - [ 0.0022896100000000, 0.0007436400000000, 0.0004262300000000 ] - [ -0.0003536000000000, -0.0005944600000000, -0.0005583600000000 ] - [ 0.0004694500000000, -0.0002792000000000, 0.0001462800000000 ] - [ -0.0001775800000000, -0.0002953600000000, -0.0000023400000000 ] - [ 0.0004240300000000, 0.0001193700000000, 0.0001223800000000 ] - [ 0.0011030300000000, -0.0005800900000000, -0.0001972600000000 ] - [ -0.0015305400000000, 0.0003407800000000, -0.0009307000000000 ] - [ -0.0006511700000000, -0.0001891400000000, -0.0008685000000000 ] - [ 0.0009896800000000, -0.0003225400000000, 0.0006490900000000 ] - [ -0.2936018100000000, 0.1345254100000000, -0.0009807200000000 ] - [ 0.0040600900000000, -0.0012343600000000, 0.0004660800000000 ] - [ -0.0002511200000000, -0.0000039300000000, -0.0007544300000000 ] - [ 0.0008054600000000, -0.0010828500000000, 0.0003454900000000 ] - [ 0.0246016600000000, -0.0218147800000000, -0.0228734800000000 ] - [ 0.0027742700000000, 0.0009223800000000, 0.0009306900000000 ] - [ -0.0111404300000000, -0.0099781000000000, -0.0055602100000000 ] - [ 0.0014511000000000, 0.0002916300000000, 0.0019284400000000 ] - [ 0.0013670200000000, -0.0009519700000000, 0.0003587600000000 ] - [ -0.0008220700000000, -0.0002640600000000, -0.0009964700000000 ] - [ 0.0007219100000000, -0.0004825700000000, 0.0001120300000000 ] - [ -0.0009159200000000, -0.0014380100000000, -0.0000251100000000 ] - [ -0.0006410100000000, -0.0006443600000000, -0.0001151000000000 ] - [ 0.0008343100000000, -0.0008415400000000, 0.0005458100000000 ] - [ 0.0245235700000000, -0.0163606900000000, 0.0252589700000000 ] - [ 0.0024064800000000, 0.0012129300000000, 0.0002757100000000 ]- atom: 77 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ -0.0047222100000000, 0.0012731500000000, -0.0014947300000000 ] - [ 0.0018048500000000, -0.0000832200000000, 0.0008477700000000 ] - [ -0.0012995800000000, -0.0007248300000000, -0.0005182900000000 ] - [ 0.0010008600000000, -0.0006431200000000, 0.0008744400000000 ] - [ -0.0004863100000000, -0.0015009900000000, -0.0008957000000000 ] - [ 0.0005523800000000, 0.0000250500000000, 0.0002787900000000 ] - [ 0.0011929800000000, -0.0023590600000000, 0.0004671300000000 ] - [ 0.0000347600000000, 0.0012277200000000, 0.0002382600000000 ] - [ -0.0015716900000000, 0.0026365000000000, -0.0006570100000000 ] - [ 0.0030728700000000, -0.0016683200000000, -0.0001002300000000 ] - [ 0.0000331000000000, -0.0015538800000000, 0.0001404800000000 ] - [ 0.0000368800000000, 0.0001500600000000, -0.0000832900000000 ] - [ 0.0005739200000000, 0.0000512800000000, 0.0000275300000000 ] - [ -0.0002454200000000, -0.0011218000000000, 0.0002104800000000 ] - [ -0.0012739500000000, 0.0017344100000000, -0.0012727400000000 ] - [ 0.0008839500000000, -0.0004976100000000, 0.0017048700000000 ] - [ 0.0016743500000000, -0.0002930000000000, 0.0011710400000000 ] - [ -0.0044640000000000, 0.0010312200000000, -0.0006887300000000 ] - [ 0.0015492600000000, 0.0005952000000000, 0.0005773200000000 ] - [ -0.0012655400000000, 0.0005933100000000, -0.0016377000000000 ] - [ 0.0004345500000000, -0.0005008900000000, -0.0002265000000000 ] - [ -0.0006904400000000, -0.0018783500000000, 0.0001506800000000 ] - [ -0.0007573600000000, -0.0012931400000000, -0.0004209500000000 ] - [ 0.0008691300000000, -0.0009206100000000, 0.0001764700000000 ] - [ -0.1246053000000000, 0.0137848400000000, -0.0022005500000000 ] - [ 0.0056676100000000, 0.0012637300000000, 0.0007179100000000 ] - [ 0.0132459700000000, -0.0028475800000000, 0.0002991000000000 ] - [ 0.0149157900000000, 0.0134716900000000, -0.0017939500000000 ] - [ -0.0017043600000000, -0.0012147900000000, -0.0005035100000000 ] - [ 0.0012014500000000, -0.0013052400000000, 0.0009148000000000 ] - [ -0.0008920100000000, -0.0000626200000000, -0.0004626700000000 ] - [ 0.0010108800000000, -0.0019988600000000, -0.0003428600000000 ] - [ 0.0022075900000000, -0.0007753500000000, 0.0010038100000000 ] - [ -0.0034640700000000, -0.0008728000000000, -0.0003621700000000 ] - [ -0.0761644100000000, 0.0421295200000000, 0.0008118700000000 ] - [ 0.0077523000000000, 0.0010694900000000, 0.0016764900000000 ] - [ 0.0106613200000000, 0.0029291300000000, 0.0116169900000000 ] - [ 0.0041051500000000, 0.0040012500000000, -0.0044390000000000 ] - [ 0.0082713300000000, 0.0039859500000000, -0.0136167700000000 ] - [ 0.0060255500000000, 0.0019511400000000, 0.0056301300000000 ] - [ 0.0023887800000000, 0.0003535500000000, 0.0005369300000000 ] - [ -0.0010080800000000, 0.0001978400000000, -0.0001129100000000 ] - [ -0.0047648300000000, 0.0009503300000000, -0.0019962700000000 ] - [ -0.0056921300000000, -0.0037704500000000, 0.0056746500000000 ] - [ -0.0001482000000000, 0.0002297000000000, -0.0001081100000000 ] - [ 0.0000775000000000, 0.0005911100000000, 0.0002373100000000 ] - [ 0.0001434200000000, -0.0002098800000000, -0.0003721500000000 ] - [ -0.0002489400000000, 0.0013337500000000, 0.0000525800000000 ] - [ 0.0008217400000000, 0.0009556700000000, 0.0001721200000000 ] - [ -0.0005831300000000, 0.0006093300000000, -0.0001555300000000 ] - [ -0.0038712500000000, 0.0005407000000000, 0.0018374800000000 ] - [ -0.0058496500000000, -0.0044167100000000, -0.0049540000000000 ] - [ -0.0039319500000000, 0.0030865300000000, -0.0043162100000000 ] - [ 0.0002098100000000, -0.0018375700000000, 0.0015733200000000 ] - [ -0.0469581100000000, -0.0047621800000000, 0.0003045600000000 ] - [ -0.0074540300000000, -0.0022892200000000, 0.0000156700000000 ] - [ 0.0004604900000000, -0.0030373100000000, 0.0049857700000000 ] - [ -0.0020944400000000, -0.0000343100000000, -0.0020626500000000 ] - [ -0.0088897400000000, -0.0039324000000000, -0.0004387300000000 ] - [ -0.0373723700000000, 0.0256661900000000, -0.0016786300000000 ] - [ -0.0014689900000000, -0.0018729100000000, -0.0028986400000000 ] - [ -0.0001988300000000, -0.0005182600000000, 0.0008529200000000 ] - [ 0.0005169400000000, -0.0003888700000000, -0.0002005000000000 ] - [ -0.0001547700000000, 0.0010414000000000, -0.0003411900000000 ] - [ -0.0017481700000000, 0.0021231300000000, 0.0045872200000000 ] - [ -0.0013359900000000, -0.0012629000000000, -0.0014179200000000 ] - [ 0.0116241400000000, 0.0017740800000000, 0.0002497600000000 ] - [ -0.0020780400000000, -0.0005342400000000, 0.0003496600000000 ] - [ 0.0004899500000000, 0.0009304800000000, -0.0001447300000000 ] - [ -0.0003467800000000, 0.0006003100000000, -0.0008551300000000 ] - [ 0.0001686600000000, 0.0014843100000000, 0.0001099300000000 ] - [ -0.0004516500000000, 0.0010669600000000, -0.0000203000000000 ] - [ -0.0013416900000000, 0.0008162300000000, -0.0005734300000000 ] - [ 0.0013107000000000, -0.0001142600000000, 0.0001636700000000 ] - [ 0.0009886500000000, 0.0006470500000000, 0.0009748900000000 ] - [ -0.0006795600000000, 0.0007543800000000, -0.0005657700000000 ] - [ 0.3044717300000000, -0.1375170000000000, 0.0014515300000000 ] - [ -0.0045602400000000, 0.0009761900000000, -0.0003980900000000 ] - [ 0.0005937300000000, 0.0001071200000000, 0.0003288400000000 ] - [ -0.0004952900000000, 0.0011858400000000, -0.0007971800000000 ] - [ -0.0252144800000000, 0.0220843700000000, 0.0237122600000000 ] - [ -0.0030943100000000, -0.0010628700000000, -0.0004703300000000 ] - [ 0.0101234900000000, 0.0098717200000000, 0.0068049600000000 ] - [ -0.0023737600000000, -0.0006258900000000, -0.0008169800000000 ] - [ -0.0004666600000000, 0.0006398300000000, -0.0014934400000000 ] - [ 0.0017373500000000, -0.0000528400000000, -0.0001302100000000 ] - [ -0.0002464100000000, 0.0002294200000000, -0.0001836100000000 ] - [ 0.0013963400000000, 0.0011999900000000, -0.0000472300000000 ] - [ 0.0009224300000000, 0.0002713400000000, 0.0002623700000000 ] - [ -0.0005861500000000, 0.0004655600000000, -0.0004186600000000 ] - [ -0.0251682200000000, 0.0167827100000000, -0.0252446400000000 ] - [ -0.0027411300000000, -0.0011156100000000, 0.0001557300000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0023234000000000, 0.0017130600000000, 0.0015796800000000 ] - [ 0.0006914400000000, -0.0000151400000000, 0.0001886000000000 ] - [ -0.0007536300000000, -0.0018266400000000, 0.0000448500000000 ] - [ 0.0004034300000000, -0.0010737100000000, 0.0005492900000000 ] - [ -0.0002900500000000, -0.0037668400000000, -0.0012004200000000 ] - [ 0.0003113300000000, -0.0000418700000000, 0.0001157100000000 ] - [ 0.0013718000000000, -0.0020401800000000, 0.0005551400000000 ] - [ -0.0011150300000000, -0.0004457600000000, 0.0002440100000000 ] - [ -0.0035993800000000, 0.0003171400000000, -0.0009320400000000 ] - [ 0.0020905700000000, -0.0004032000000000, -0.0000336500000000 ] - [ 0.0002120500000000, -0.0019249300000000, 0.0002609600000000 ] - [ -0.0002030000000000, -0.0009707600000000, -0.0004153200000000 ] - [ 0.0001307300000000, -0.0000995300000000, -0.0002099500000000 ] - [ 0.0007479600000000, -0.0037225200000000, 0.0013017600000000 ] - [ -0.0020090000000000, 0.0024931200000000, -0.0022988100000000 ] - [ 0.0009856400000000, 0.0008631200000000, 0.0012926500000000 ] - [ 0.0008182300000000, -0.0001103600000000, 0.0009350200000000 ] - [ -0.0018614600000000, 0.0018130100000000, -0.0012752800000000 ] - [ 0.0006515100000000, 0.0010005100000000, -0.0000200100000000 ] - [ -0.0001640900000000, 0.0027240700000000, 0.0002326500000000 ] - [ -0.0003982700000000, -0.0015605400000000, -0.0006516400000000 ] - [ -0.0006038200000000, -0.0035130900000000, 0.0004128500000000 ] - [ 0.0001715300000000, -0.0041856800000000, -0.0009626100000000 ] - [ 0.0004523100000000, -0.0016660500000000, 0.0002672400000000 ] - [ -0.0126705800000000, 0.0480785600000000, -0.0002671200000000 ] - [ 0.0017448200000000, 0.0018303500000000, 0.0001143200000000 ] - [ 0.0008928500000000, 0.0046340300000000, -0.0003221100000000 ] - [ 0.0062166100000000, 0.0145965000000000, -0.0014540800000000 ] - [ -0.0028899500000000, -0.0044673500000000, -0.0008685600000000 ] - [ 0.0015433900000000, -0.0014360800000000, 0.0013656100000000 ] - [ -0.0019247400000000, -0.0015146000000000, -0.0008954100000000 ] - [ 0.0016347500000000, -0.0034494200000000, 0.0001723400000000 ] - [ 0.0010408100000000, -0.0017393600000000, 0.0006466200000000 ] - [ -0.0003867700000000, -0.0076941100000000, -0.0006055600000000 ] - [ -0.0431058700000000, 0.1869638500000000, 0.0084095500000000 ] - [ 0.0022839900000000, 0.0022238900000000, 0.0003979100000000 ] - [ 0.0110679200000000, 0.0054693500000000, 0.0086666800000000 ] - [ -0.0003632700000000, 0.0019616400000000, -0.0011292000000000 ] - [ 0.0108275300000000, 0.0078458900000000, -0.0100452700000000 ] - [ 0.0001080800000000, 0.0004926300000000, 0.0002565300000000 ] - [ -0.0001929900000000, 0.0024277400000000, 0.0004992700000000 ] - [ -0.0003879600000000, 0.0006228700000000, 0.0000305200000000 ] - [ -0.0036891200000000, -0.0020687600000000, 0.0011636300000000 ] - [ 0.0012053400000000, -0.0030547500000000, 0.0015131700000000 ] - [ 0.0002230500000000, 0.0009743100000000, 0.0002921900000000 ] - [ -0.0001475600000000, 0.0015901700000000, 0.0001237400000000 ] - [ 0.0006431400000000, 0.0003388800000000, -0.0003673100000000 ] - [ -0.0009573700000000, 0.0021144300000000, -0.0004810900000000 ] - [ 0.0010786600000000, 0.0027710900000000, 0.0007850600000000 ] - [ -0.0005248200000000, 0.0008099500000000, -0.0000899200000000 ] - [ -0.0036791100000000, -0.0032578600000000, -0.0012619900000000 ] - [ 0.0017162000000000, -0.0033278800000000, -0.0006707200000000 ] - [ -0.0037136400000000, 0.0022936300000000, -0.0036253700000000 ] - [ 0.0006806500000000, -0.0007030800000000, 0.0012037100000000 ] - [ 0.0105712600000000, -0.0106747000000000, 0.0001499100000000 ] - [ -0.0036393200000000, -0.0026498400000000, 0.0001111900000000 ] - [ -0.0004950300000000, -0.0048737000000000, 0.0031521400000000 ] - [ -0.0004185900000000, -0.0009133600000000, -0.0000538600000000 ] - [ -0.0022339400000000, -0.0025137900000000, -0.0001700300000000 ] - [ -0.0214053800000000, 0.0000275200000000, -0.0004735600000000 ] - [ -0.0013196900000000, -0.0026306900000000, -0.0022529400000000 ] - [ 0.0002611200000000, -0.0018471300000000, 0.0006017200000000 ] - [ 0.0012407500000000, 0.0003961200000000, 0.0001469700000000 ] - [ -0.0007272000000000, 0.0014704100000000, -0.0015628400000000 ] - [ -0.0026703500000000, 0.0014789000000000, 0.0035252800000000 ] - [ -0.0001424300000000, -0.0001541900000000, -0.0000707300000000 ] - [ -0.0036025000000000, 0.0307137200000000, -0.0102843000000000 ] - [ -0.0005642700000000, -0.0006220400000000, 0.0004789400000000 ] - [ 0.0005881200000000, 0.0023834600000000, -0.0005845800000000 ] - [ -0.0002663400000000, 0.0009892800000000, -0.0008939200000000 ] - [ 0.0001756800000000, 0.0022758100000000, 0.0002571200000000 ] - [ -0.0003003200000000, 0.0021697100000000, -0.0000805100000000 ] - [ -0.0008443300000000, 0.0010874300000000, -0.0002397600000000 ] - [ 0.0006075500000000, 0.0042955200000000, 0.0002968200000000 ] - [ 0.0017773600000000, 0.0027211700000000, 0.0014037700000000 ] - [ -0.0005050900000000, 0.0004788800000000, -0.0003880700000000 ] - [ 0.1330499200000000, -0.3163047000000000, -0.0126074400000000 ] - [ -0.0013310500000000, -0.0009015600000000, -0.0001384000000000 ] - [ 0.0012672800000000, 0.0009648600000000, 0.0009420800000000 ] - [ -0.0012226900000000, 0.0015174600000000, -0.0008293600000000 ] - [ -0.0355201900000000, 0.0144480400000000, 0.0244960800000000 ] - [ -0.0002542600000000, -0.0006817800000000, -0.0003427100000000 ] - [ -0.0080011700000000, 0.0207545100000000, 0.0165233900000000 ] - [ -0.0011364400000000, -0.0008646400000000, 0.0000025800000000 ] - [ -0.0000577200000000, 0.0008790300000000, -0.0012969000000000 ] - [ 0.0010203500000000, 0.0028995200000000, -0.0004772100000000 ] - [ 0.0005921900000000, 0.0010511100000000, -0.0000706100000000 ] - [ 0.0015510400000000, 0.0044813500000000, -0.0000429200000000 ] - [ 0.0013862600000000, 0.0015827000000000, 0.0003512700000000 ] - [ -0.0008223300000000, 0.0010065300000000, -0.0009378400000000 ] - [ -0.0305561200000000, 0.0073760400000000, -0.0230036700000000 ] - [ -0.0000436300000000, -0.0007006800000000, 0.0008250400000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020859100000000, -0.0016968200000000, -0.0015786600000000 ] - [ -0.0009966200000000, -0.0000392000000000, -0.0000690800000000 ] - [ 0.0004430100000000, 0.0017631400000000, 0.0005861100000000 ] - [ -0.0007260800000000, 0.0010064500000000, 0.0000746100000000 ] - [ 0.0003029800000000, 0.0037218400000000, 0.0009113100000000 ] - [ -0.0003054900000000, -0.0000269200000000, -0.0004179800000000 ] - [ -0.0017602000000000, 0.0021073800000000, 0.0001022800000000 ] - [ 0.0007331300000000, 0.0004934500000000, 0.0004118100000000 ] - [ 0.0040166300000000, -0.0003021000000000, 0.0002847400000000 ] - [ -0.0017323100000000, 0.0004543400000000, -0.0006252100000000 ] - [ -0.0002098500000000, 0.0018063300000000, -0.0004054700000000 ] - [ 0.0002016500000000, 0.0008433400000000, 0.0002698300000000 ] - [ 0.0001619200000000, 0.0000429000000000, 0.0000883100000000 ] - [ -0.0004597200000000, 0.0036882800000000, -0.0014320100000000 ] - [ 0.0020260200000000, -0.0026519900000000, 0.0024598700000000 ] - [ -0.0009965000000000, -0.0010056100000000, -0.0011623500000000 ] - [ -0.0008369000000000, 0.0000447700000000, -0.0006430600000000 ] - [ 0.0019240600000000, -0.0017593600000000, 0.0017543100000000 ] - [ -0.0003417100000000, -0.0010878100000000, -0.0006119300000000 ] - [ 0.0004864900000000, -0.0028321700000000, -0.0008514600000000 ] - [ 0.0003195900000000, 0.0011357900000000, 0.0005681100000000 ] - [ 0.0005171300000000, 0.0031038900000000, -0.0005071300000000 ] - [ -0.0005220400000000, 0.0042159000000000, 0.0007907300000000 ] - [ -0.0008217100000000, 0.0016862900000000, -0.0004534900000000 ] - [ 0.0120371500000000, -0.0481263400000000, 0.0003492800000000 ] - [ -0.0016887500000000, -0.0022770100000000, -0.0000260900000000 ] - [ -0.0006794700000000, -0.0045742500000000, 0.0005047300000000 ] - [ -0.0059362800000000, -0.0147511000000000, 0.0016520800000000 ] - [ 0.0021026100000000, 0.0041575000000000, 0.0009347700000000 ] - [ -0.0023797600000000, 0.0011099300000000, -0.0013232400000000 ] - [ 0.0016615300000000, 0.0011784800000000, 0.0008117900000000 ] - [ -0.0019340700000000, 0.0031369900000000, -0.0002721200000000 ] - [ -0.0013848200000000, 0.0027485800000000, -0.0004643200000000 ] - [ 0.0000744500000000, 0.0087081900000000, 0.0007941000000000 ] - [ 0.0490493800000000, -0.1979962600000000, -0.0094700600000000 ] - [ -0.0020130100000000, -0.0012536200000000, -0.0005986400000000 ] - [ -0.0103687700000000, -0.0058226500000000, -0.0088608800000000 ] - [ 0.0011707600000000, -0.0023034200000000, 0.0010812100000000 ] - [ -0.0106395900000000, -0.0081835600000000, 0.0102737900000000 ] - [ 0.0001624500000000, -0.0008353000000000, -0.0001707500000000 ] - [ 0.0017189300000000, -0.0034832900000000, -0.0001259200000000 ] - [ 0.0019351000000000, -0.0016738300000000, 0.0003481100000000 ] - [ 0.0033662300000000, 0.0025449700000000, -0.0007550900000000 ] - [ -0.0015730100000000, 0.0035725400000000, -0.0011446400000000 ] - [ -0.0002656400000000, -0.0012918000000000, -0.0005683700000000 ] - [ 0.0001092300000000, -0.0019148400000000, -0.0003976100000000 ] - [ -0.0003374500000000, -0.0004773100000000, -0.0000947500000000 ] - [ 0.0012763300000000, -0.0022691300000000, 0.0000212500000000 ] - [ -0.0007372500000000, -0.0022949400000000, -0.0011717800000000 ] - [ 0.0008855100000000, -0.0003199200000000, -0.0002892900000000 ] - [ 0.0034370100000000, 0.0028498000000000, 0.0010935400000000 ] - [ -0.0019869700000000, 0.0029693600000000, 0.0005418000000000 ] - [ 0.0034130700000000, -0.0018673200000000, 0.0035604200000000 ] - [ -0.0010014100000000, 0.0011457300000000, -0.0013000600000000 ] - [ -0.0101498200000000, 0.0118922300000000, -0.0002517700000000 ] - [ 0.0037060800000000, 0.0038571800000000, -0.0002178100000000 ] - [ 0.0005363400000000, 0.0045832600000000, -0.0029117700000000 ] - [ 0.0004678700000000, 0.0006070400000000, 0.0003338600000000 ] - [ 0.0007799800000000, 0.0015071900000000, -0.0002060300000000 ] - [ 0.0204080900000000, -0.0012007400000000, 0.0001507000000000 ] - [ 0.0011999700000000, 0.0029575500000000, 0.0029756700000000 ] - [ -0.0003914300000000, 0.0021732800000000, 0.0000921900000000 ] - [ -0.0010453800000000, -0.0002820400000000, -0.0005921300000000 ] - [ 0.0009421400000000, -0.0013713300000000, 0.0011343300000000 ] - [ 0.0024638000000000, -0.0013752000000000, -0.0030934300000000 ] - [ -0.0000586100000000, 0.0002654300000000, 0.0005185800000000 ] - [ 0.0038652000000000, -0.0312825400000000, 0.0114474000000000 ] - [ 0.0008110200000000, 0.0008566700000000, 0.0002903500000000 ] - [ -0.0004664000000000, -0.0020826400000000, -0.0001182900000000 ] - [ 0.0003992400000000, -0.0006806000000000, 0.0001976200000000 ] - [ -0.0002000800000000, -0.0011106500000000, -0.0001550300000000 ] - [ 0.0002914300000000, -0.0010026800000000, 0.0001876800000000 ] - [ 0.0006234900000000, -0.0008755200000000, -0.0005342500000000 ] - [ -0.0008375000000000, -0.0040790200000000, -0.0010812100000000 ] - [ -0.0014761100000000, -0.0022963800000000, -0.0013274400000000 ] - [ 0.0008316200000000, -0.0000409000000000, 0.0004827100000000 ] - [ -0.1390426600000000, 0.3290316600000000, 0.0134184600000000 ] - [ 0.0008822500000000, 0.0006370100000000, 0.0002131700000000 ] - [ -0.0009531000000000, -0.0008710800000000, -0.0013961900000000 ] - [ 0.0015670600000000, -0.0014320600000000, 0.0003956900000000 ] - [ 0.0349606100000000, -0.0145687000000000, -0.0238984400000000 ] - [ -0.0000513800000000, 0.0005454600000000, 0.0008106100000000 ] - [ 0.0072280100000000, -0.0215279400000000, -0.0158728900000000 ] - [ 0.0002448600000000, 0.0005496500000000, 0.0011351100000000 ] - [ 0.0009693400000000, -0.0012142000000000, 0.0001772000000000 ] - [ -0.0001193500000000, -0.0032346900000000, -0.0006439100000000 ] - [ -0.0001201200000000, -0.0013235600000000, -0.0000005800000000 ] - [ -0.0010828800000000, -0.0047681000000000, -0.0000279800000000 ] - [ -0.0011374600000000, -0.0019767200000000, -0.0002176700000000 ] - [ 0.0010952500000000, -0.0014020400000000, 0.0010885500000000 ] - [ 0.0301531500000000, -0.0073849200000000, 0.0234053400000000 ] - [ -0.0002774400000000, 0.0008023400000000, -0.0003858600000000 ]- atom: 77 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ -0.0015133900000000, 0.0010144400000000, 0.0008982600000000 ] - [ 0.0002516600000000, -0.0000713100000000, 0.0002818700000000 ] - [ -0.0004517700000000, -0.0005404800000000, -0.0002479900000000 ] - [ -0.0000048800000000, -0.0001369800000000, 0.0004179100000000 ] - [ -0.0001568500000000, -0.0020522000000000, -0.0003433300000000 ] - [ 0.0001116700000000, 0.0000112900000000, -0.0000346400000000 ] - [ 0.0003589300000000, -0.0008054900000000, 0.0012891600000000 ] - [ -0.0000810300000000, 0.0004215200000000, 0.0003908000000000 ] - [ -0.0000471600000000, 0.0012245300000000, 0.0003782600000000 ] - [ 0.0012421100000000, -0.0005487100000000, -0.0002389200000000 ] - [ 0.0002753000000000, -0.0005558000000000, -0.0002132400000000 ] - [ -0.0001087200000000, -0.0001574700000000, -0.0001793800000000 ] - [ 0.0002234700000000, -0.0000260500000000, -0.0001586500000000 ] - [ -0.0001435700000000, 0.0003110600000000, -0.0003113900000000 ] - [ -0.0010865500000000, 0.0005197300000000, -0.0022521500000000 ] - [ -0.0000829100000000, -0.0000138200000000, 0.0004269000000000 ] - [ 0.0007178900000000, -0.0001170700000000, 0.0001300400000000 ] - [ -0.0017326700000000, 0.0005803400000000, 0.0022335800000000 ] - [ 0.0003418500000000, 0.0001203800000000, -0.0001096700000000 ] - [ 0.0009685700000000, 0.0010056100000000, -0.0030661100000000 ] - [ 0.0000996400000000, -0.0004599600000000, -0.0000409300000000 ] - [ -0.0003855400000000, -0.0010099200000000, 0.0006002700000000 ] - [ -0.0002159100000000, -0.0007395400000000, 0.0003663000000000 ] - [ 0.0001557800000000, -0.0003233700000000, 0.0000016600000000 ] - [ -0.0473274500000000, 0.0050158800000000, 0.0329130000000000 ] - [ 0.0018939200000000, 0.0005124100000000, 0.0002329000000000 ] - [ 0.0059433200000000, -0.0016254000000000, 0.0005028500000000 ] - [ 0.0058178600000000, 0.0050678500000000, 0.0010281900000000 ] - [ -0.0004704200000000, -0.0011332100000000, -0.0008145600000000 ] - [ -0.0001284500000000, -0.0005484400000000, 0.0002163400000000 ] - [ -0.0008604400000000, -0.0007481900000000, 0.0002048400000000 ] - [ 0.0009298100000000, -0.0007614300000000, -0.0009450100000000 ] - [ 0.0004640800000000, 0.0000183600000000, 0.0003957000000000 ] - [ -0.0013605300000000, -0.0002984000000000, 0.0015056200000000 ] - [ -0.0337612200000000, 0.0271107100000000, 0.0441817500000000 ] - [ 0.0030074300000000, 0.0008617100000000, 0.0004525400000000 ] - [ -0.0014732600000000, -0.0016906000000000, 0.0002690300000000 ] - [ 0.0033413800000000, 0.0008319400000000, -0.0050025400000000 ] - [ 0.0097324400000000, 0.0045611300000000, -0.0117473000000000 ] - [ 0.0010308200000000, 0.0003875000000000, 0.0011638700000000 ] - [ 0.0011463300000000, -0.0000144400000000, -0.0000579600000000 ] - [ 0.0002841100000000, -0.0002805400000000, 0.0001063300000000 ] - [ -0.0006050400000000, 0.0020110700000000, -0.0019984100000000 ] - [ -0.0051104900000000, -0.0016541800000000, 0.0032068400000000 ] - [ 0.0000195100000000, 0.0001474500000000, -0.0001073400000000 ] - [ -0.0000912900000000, 0.0001740200000000, 0.0002660200000000 ] - [ 0.0003424500000000, -0.0000209900000000, -0.0005160400000000 ] - [ -0.0006490200000000, 0.0008639000000000, -0.0001274100000000 ] - [ -0.0001134800000000, 0.0004335700000000, 0.0001040400000000 ] - [ 0.0000306200000000, 0.0003469600000000, -0.0001827200000000 ] - [ -0.0031577700000000, -0.0012046900000000, 0.0002013400000000 ] - [ -0.0004708500000000, -0.0017154500000000, -0.0018179800000000 ] - [ 0.0000154000000000, 0.0003446900000000, 0.0002012000000000 ] - [ -0.0002468300000000, -0.0003425500000000, 0.0014552300000000 ] - [ -0.0216903600000000, -0.0017217400000000, -0.0051423200000000 ] - [ -0.0026127600000000, -0.0004812200000000, -0.0001790000000000 ] - [ -0.0011460200000000, -0.0024184200000000, 0.0046065800000000 ] - [ -0.0003156800000000, -0.0002166900000000, -0.0003778900000000 ] - [ -0.0041308700000000, -0.0019439800000000, -0.0003975700000000 ] - [ -0.0132236400000000, 0.0082787100000000, -0.0065853600000000 ] - [ 0.0001767300000000, -0.0002555000000000, 0.0000945300000000 ] - [ -0.0000810300000000, 0.0004410300000000, 0.0029944700000000 ] - [ 0.0007368900000000, 0.0003494000000000, -0.0001989200000000 ] - [ -0.0001675500000000, 0.0001701100000000, 0.0002454300000000 ] - [ -0.0021807500000000, 0.0012937500000000, 0.0042656600000000 ] - [ -0.0002012100000000, -0.0002773500000000, -0.0001555400000000 ] - [ 0.0068224000000000, -0.0195059100000000, -0.0033832800000000 ] - [ -0.0006911200000000, -0.0002037200000000, 0.0005608200000000 ] - [ 0.0001125700000000, 0.0006722400000000, -0.0000482700000000 ] - [ 0.0000176500000000, 0.0003190400000000, -0.0004716300000000 ] - [ 0.0000028800000000, 0.0010376500000000, -0.0001142800000000 ] - [ -0.0001704200000000, 0.0008813800000000, -0.0000862300000000 ] - [ -0.0004229400000000, 0.0003511900000000, -0.0004901800000000 ] - [ 0.0002870800000000, -0.0004966100000000, -0.0007428400000000 ] - [ -0.0000091500000000, 0.0007520000000000, 0.0014952200000000 ] - [ 0.0000058200000000, 0.0004068400000000, -0.0001299700000000 ] - [ 0.1260273000000000, -0.0699898400000000, -0.0791869300000000 ] - [ -0.0016727700000000, 0.0001766600000000, -0.0001016000000000 ] - [ 0.0002992400000000, 0.0001699300000000, 0.0000900600000000 ] - [ 0.0002095300000000, 0.0003401400000000, -0.0005026000000000 ] - [ -0.0311544000000000, 0.0229130000000000, 0.0155716300000000 ] - [ -0.0006722700000000, -0.0003674300000000, 0.0000446500000000 ] - [ -0.0027260200000000, 0.0294951600000000, 0.0064974700000000 ] - [ -0.0010722300000000, -0.0003811300000000, 0.0001201500000000 ] - [ 0.0001000700000000, 0.0001356200000000, -0.0007948900000000 ] - [ 0.0010287800000000, 0.0006310100000000, -0.0010547300000000 ] - [ 0.0001653100000000, 0.0000519700000000, -0.0000803700000000 ] - [ 0.0007391900000000, 0.0004390300000000, -0.0005009500000000 ] - [ 0.0006190800000000, 0.0003938800000000, -0.0002805100000000 ] - [ -0.0002310300000000, 0.0000112300000000, 0.0000185500000000 ] - [ 0.0116094600000000, -0.0054137800000000, -0.0019685500000000 ] - [ -0.0012966300000000, -0.0003389800000000, 0.0008601900000000 ]- atom: 77 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ 0.0012781100000000, -0.0009263700000000, -0.0009645100000000 ] - [ -0.0005450600000000, 0.0000149100000000, -0.0001595800000000 ] - [ 0.0001339800000000, 0.0004582700000000, 0.0008735400000000 ] - [ -0.0003125200000000, 0.0000597400000000, 0.0002081900000000 ] - [ 0.0001649900000000, 0.0019749700000000, 0.0000394800000000 ] - [ -0.0001004500000000, -0.0000776400000000, -0.0002632200000000 ] - [ -0.0007366100000000, 0.0008494200000000, -0.0006279000000000 ] - [ -0.0003015500000000, -0.0003789100000000, 0.0002618900000000 ] - [ 0.0004152400000000, -0.0011773500000000, -0.0010393100000000 ] - [ -0.0008585500000000, 0.0005958800000000, -0.0004161600000000 ] - [ -0.0002720700000000, 0.0004196800000000, 0.0000733900000000 ] - [ 0.0001068400000000, 0.0000203600000000, 0.0000378000000000 ] - [ 0.0000697900000000, -0.0000265100000000, 0.0000359500000000 ] - [ 0.0004401900000000, -0.0003825800000000, 0.0001954800000000 ] - [ 0.0010901100000000, -0.0006466400000000, 0.0023986300000000 ] - [ 0.0000867200000000, -0.0001158700000000, -0.0002781400000000 ] - [ -0.0007247400000000, 0.0000472600000000, 0.0001663400000000 ] - [ 0.0017620700000000, -0.0005637900000000, -0.0018619900000000 ] - [ -0.0000243200000000, -0.0001945300000000, -0.0005172700000000 ] - [ -0.0006546500000000, -0.0010600000000000, 0.0024395700000000 ] - [ -0.0001834400000000, 0.0000276500000000, -0.0000513700000000 ] - [ 0.0003003600000000, 0.0005726300000000, -0.0006926800000000 ] - [ -0.0001414000000000, 0.0007369900000000, -0.0005530600000000 ] - [ -0.0005129100000000, 0.0003264200000000, -0.0001835800000000 ] - [ 0.0464343600000000, -0.0048489000000000, -0.0333735100000000 ] - [ -0.0018099400000000, -0.0009381400000000, -0.0001503600000000 ] - [ -0.0056142900000000, 0.0016385700000000, -0.0003362900000000 ] - [ -0.0054579600000000, -0.0050295000000000, -0.0008600900000000 ] - [ -0.0003529100000000, 0.0007883600000000, 0.0008736400000000 ] - [ -0.0006802600000000, 0.0002123100000000, -0.0001561400000000 ] - [ 0.0005774400000000, 0.0004121900000000, -0.0003003400000000 ] - [ -0.0012103600000000, 0.0004160300000000, 0.0008543400000000 ] - [ -0.0007914700000000, 0.0009677600000000, -0.0002081800000000 ] - [ 0.0010305300000000, 0.0012691700000000, -0.0013166000000000 ] - [ 0.0341505800000000, -0.0259824200000000, -0.0441901000000000 ] - [ -0.0026768400000000, 0.0001314500000000, -0.0006383200000000 ] - [ 0.0022725300000000, 0.0013289700000000, -0.0003471600000000 ] - [ -0.0025394200000000, -0.0011765500000000, 0.0049455300000000 ] - [ -0.0094271200000000, -0.0049092100000000, 0.0118455800000000 ] - [ -0.0007505500000000, -0.0007259200000000, -0.0010712800000000 ] - [ 0.0003839500000000, -0.0010198600000000, 0.0004333600000000 ] - [ 0.0012475200000000, -0.0007572200000000, 0.0002691800000000 ] - [ 0.0002530500000000, -0.0015081800000000, 0.0023720600000000 ] - [ 0.0048060400000000, 0.0021527300000000, -0.0028340600000000 ] - [ -0.0000602500000000, -0.0004572500000000, -0.0001654300000000 ] - [ 0.0000507500000000, -0.0004807200000000, -0.0005409800000000 ] - [ -0.0000316000000000, -0.0001180500000000, 0.0000521900000000 ] - [ 0.0009600100000000, -0.0009996500000000, -0.0003369900000000 ] - [ 0.0004731700000000, 0.0000703100000000, -0.0004818400000000 ] - [ 0.0003198000000000, 0.0001499800000000, -0.0001961000000000 ] - [ 0.0028879000000000, 0.0008055600000000, -0.0003569100000000 ] - [ 0.0002084000000000, 0.0013257700000000, 0.0016787600000000 ] - [ -0.0003253800000000, 0.0000928100000000, -0.0002802000000000 ] - [ -0.0000678300000000, 0.0007860600000000, -0.0015427200000000 ] - [ 0.0216363600000000, 0.0028652200000000, 0.0049218400000000 ] - [ 0.0026262600000000, 0.0016499000000000, 0.0000764200000000 ] - [ 0.0011812800000000, 0.0021077200000000, -0.0043404900000000 ] - [ 0.0003578000000000, -0.0000942700000000, 0.0006515100000000 ] - [ 0.0025967900000000, 0.0009009200000000, 0.0000219400000000 ] - [ 0.0118169400000000, -0.0094301500000000, 0.0063512200000000 ] - [ -0.0003069100000000, 0.0005759600000000, 0.0006106500000000 ] - [ -0.0000389600000000, -0.0001261800000000, -0.0022835200000000 ] - [ -0.0005315900000000, -0.0002432800000000, -0.0002425100000000 ] - [ 0.0003718500000000, -0.0000600200000000, -0.0006934200000000 ] - [ 0.0019655500000000, -0.0011755100000000, -0.0038138400000000 ] - [ -0.0000028100000000, 0.0003860100000000, 0.0005970000000000 ] - [ -0.0065771900000000, 0.0197616500000000, 0.0041387300000000 ] - [ 0.0009184200000000, 0.0004244100000000, 0.0002120600000000 ] - [ 0.0000170500000000, -0.0003491000000000, -0.0006580500000000 ] - [ 0.0001099100000000, -0.0000000700000000, -0.0002332700000000 ] - [ -0.0000207100000000, 0.0001409800000000, 0.0002193900000000 ] - [ 0.0001524400000000, 0.0002985900000000, 0.0001912400000000 ] - [ 0.0001936900000000, -0.0001260200000000, -0.0002830500000000 ] - [ -0.0005147700000000, 0.0007267400000000, -0.0000299700000000 ] - [ 0.0003345700000000, -0.0003082000000000, -0.0014087300000000 ] - [ 0.0003104300000000, 0.0000309600000000, 0.0002172400000000 ] - [ -0.1254294100000000, 0.0688765800000000, 0.0797659500000000 ] - [ 0.0011999800000000, -0.0004423100000000, 0.0001734700000000 ] - [ 0.0000301900000000, -0.0000697300000000, -0.0005295900000000 ] - [ 0.0001145400000000, -0.0002395700000000, 0.0000609200000000 ] - [ 0.0304640400000000, -0.0226213900000000, -0.0150320700000000 ] - [ 0.0003600500000000, 0.0002268500000000, 0.0004211000000000 ] - [ 0.0017818200000000, -0.0302328300000000, -0.0054981100000000 ] - [ 0.0001650100000000, 0.0000555300000000, 0.0010044500000000 ] - [ 0.0008045400000000, -0.0004574600000000, -0.0003340800000000 ] - [ -0.0001212200000000, -0.0009468500000000, -0.0000730400000000 ] - [ 0.0003075300000000, -0.0003135200000000, 0.0000086700000000 ] - [ -0.0002625800000000, -0.0006921300000000, 0.0004304800000000 ] - [ -0.0003563800000000, -0.0007764100000000, 0.0004211900000000 ] - [ 0.0004908000000000, -0.0003929700000000, 0.0001176100000000 ] - [ -0.0118668100000000, 0.0054799400000000, 0.0024909600000000 ] - [ 0.0009814900000000, 0.0004395600000000, -0.0004128300000000 ]- atom: 79 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ -0.0000930300000000, 0.0001822100000000, 0.0001355500000000 ] - [ -0.0002896400000000, -0.0004558600000000, -0.0003387800000000 ] - [ -0.0011158700000000, 0.0017217800000000, -0.0005093300000000 ] - [ -0.0002559500000000, -0.0005110300000000, 0.0001210300000000 ] - [ 0.0006331600000000, -0.0002888800000000, -0.0019904300000000 ] - [ -0.0012093300000000, 0.0008195000000000, -0.0020125800000000 ] - [ 0.0013676000000000, 0.0002147900000000, 0.0006777200000000 ] - [ -0.0012710600000000, -0.0000119500000000, 0.0000290200000000 ] - [ 0.0027082400000000, -0.0019274600000000, 0.0023965400000000 ] - [ -0.0010280800000000, 0.0001097100000000, -0.0008949700000000 ] - [ 0.0023175400000000, -0.0004166100000000, 0.0016662700000000 ] - [ -0.0011275300000000, 0.0000536000000000, -0.0007765200000000 ] - [ 0.0089921100000000, -0.0000016300000000, -0.0013781200000000 ] - [ -0.0032263800000000, -0.0009850600000000, -0.0007745100000000 ] - [ 0.0023927500000000, -0.0006246300000000, 0.0005181900000000 ] - [ -0.0008818900000000, -0.0000878400000000, -0.0003298200000000 ] - [ 0.0002768900000000, -0.0005286400000000, 0.0005777900000000 ] - [ -0.0003198800000000, 0.0002257200000000, -0.0000902600000000 ] - [ -0.0000682900000000, 0.0005916700000000, -0.0000638700000000 ] - [ -0.0012869500000000, -0.0020377900000000, -0.0008234900000000 ] - [ 0.0423531800000000, -0.0092620300000000, -0.0085411400000000 ] - [ -0.0034347800000000, -0.0001956500000000, -0.0017600800000000 ] - [ 0.0053692300000000, 0.0069513400000000, 0.0168997100000000 ] - [ -0.0045343700000000, 0.0018507900000000, -0.0015626100000000 ] - [ 0.0011487700000000, -0.0003816200000000, 0.0007645500000000 ] - [ -0.0015082200000000, -0.0000137300000000, -0.0005654600000000 ] - [ 0.0027553600000000, 0.0012593500000000, 0.0007009200000000 ] - [ -0.0014903600000000, -0.0007348000000000, -0.0004130700000000 ] - [ 0.1615239500000000, -0.0210890000000000, 0.0883741600000000 ] - [ -0.0043851700000000, 0.0003666000000000, -0.0007818900000000 ] - [ 0.0104281300000000, -0.0019053300000000, 0.0040885900000000 ] - [ -0.0044190100000000, -0.0001657700000000, -0.0038086400000000 ] - [ -0.0062837300000000, -0.0160402300000000, 0.0027935300000000 ] - [ -0.0034634100000000, 0.0027288300000000, 0.0003510000000000 ] - [ -0.0017598800000000, -0.0019979100000000, 0.0000516400000000 ] - [ 0.0011756900000000, 0.0045750600000000, -0.0026451300000000 ] - [ 0.0022062500000000, -0.0003008500000000, 0.0009690100000000 ] - [ -0.0012054200000000, -0.0001853900000000, -0.0012784700000000 ] - [ 0.0017878400000000, -0.0000331600000000, 0.0016559400000000 ] - [ -0.0013398500000000, -0.0004513200000000, -0.0005465500000000 ] - [ 0.0017028700000000, -0.0031412300000000, -0.0022552600000000 ] - [ 0.0060637400000000, 0.0002488000000000, 0.0002182300000000 ] - [ -0.0011211100000000, 0.0001984200000000, 0.0000616900000000 ] - [ 0.0005576800000000, 0.0002812400000000, 0.0004921400000000 ] - [ -0.0018742400000000, 0.0006774700000000, -0.0024141100000000 ] - [ 0.0019991000000000, 0.0001752600000000, 0.0018621900000000 ] - [ -0.0113579700000000, -0.0007337500000000, 0.0088297400000000 ] - [ 0.0018404100000000, -0.0003389700000000, 0.0008174600000000 ] - [ 0.0349219100000000, -0.0156140000000000, -0.0009051600000000 ] - [ 0.0028202400000000, 0.0000545200000000, -0.0000969700000000 ] - [ -0.0014492900000000, -0.0006469900000000, -0.0012129800000000 ] - [ 0.0008473100000000, 0.0001126300000000, 0.0006429500000000 ] - [ -0.0008480000000000, 0.0006015000000000, -0.0005350400000000 ] - [ 0.0004725300000000, -0.0001616100000000, 0.0004307500000000 ] - [ -0.0015055000000000, 0.0008045400000000, -0.0005135600000000 ] - [ 0.0014213700000000, 0.0006049600000000, 0.0002422700000000 ] - [ -0.0004345700000000, 0.0005809000000000, -0.0003305100000000 ] - [ 0.0004257000000000, -0.0003065800000000, 0.0003974700000000 ] - [ -0.0025837500000000, -0.0025094200000000, 0.0000436200000000 ] - [ 0.0010150500000000, 0.0004860900000000, -0.0000163100000000 ] - [ -0.0006498500000000, 0.0000006800000000, -0.0000541700000000 ] - [ 0.0005189200000000, 0.0004273400000000, 0.0008120300000000 ] - [ -0.0022864200000000, -0.0004579100000000, -0.0021441500000000 ] - [ 0.0018056900000000, 0.0000328200000000, 0.0009553800000000 ] - [ -0.0008634600000000, -0.0004864600000000, -0.0003179200000000 ] - [ 0.0004936500000000, 0.0002670900000000, 0.0006149500000000 ] - [ 0.0013787800000000, 0.0017517700000000, -0.0003362500000000 ] - [ 0.0014552700000000, -0.0030543400000000, 0.0017619900000000 ] - [ -0.0030817400000000, -0.0040843100000000, 0.0069683600000000 ] - [ 0.0011908400000000, 0.0000487600000000, 0.0003158500000000 ] - [ -0.0102129000000000, -0.0102639700000000, -0.0122956100000000 ] - [ 0.0030313800000000, 0.0000715100000000, 0.0007545100000000 ] - [ -0.0009122100000000, 0.0048591300000000, 0.0013050600000000 ] - [ 0.0007358000000000, -0.0007758900000000, -0.0004356500000000 ] - [ 0.0101166600000000, 0.0069154400000000, 0.0175917500000000 ] - [ 0.0013492400000000, 0.0002112800000000, 0.0003999800000000 ] - [ -0.0006617100000000, 0.0009864500000000, -0.0000129300000000 ] - [ 0.0004137200000000, -0.0015234400000000, 0.0003921000000000 ] - [ -0.2682042600000000, 0.0302208400000000, -0.1365260500000000 ] - [ 0.0027062400000000, 0.0000716400000000, 0.0014643300000000 ] - [ -0.0006905000000000, -0.0003063900000000, -0.0000471200000000 ] - [ 0.0006051700000000, 0.0001692100000000, 0.0002047800000000 ] - [ -0.0005315400000000, 0.0009602000000000, 0.0013181800000000 ] - [ -0.0001988300000000, -0.0009485400000000, 0.0015104100000000 ] - [ 0.0008642200000000, 0.0031649900000000, -0.0022621900000000 ] - [ 0.0015879700000000, -0.0011646000000000, -0.0001102800000000 ] - [ 0.0249980700000000, 0.0301258200000000, 0.0243852900000000 ] - [ 0.0028197200000000, -0.0002570900000000, -0.0000905400000000 ] - [ -0.0047568300000000, 0.0016792600000000, -0.0058167100000000 ] - [ 0.0028825100000000, -0.0011622700000000, 0.0025884600000000 ] - [ -0.0012990300000000, 0.0000615800000000, -0.0007860000000000 ] - [ 0.0010433200000000, 0.0000688000000000, 0.0012481300000000 ]- atom: 79 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ -0.0001994700000000, -0.0002388400000000, -0.0000119100000000 ] - [ -0.0000044700000000, 0.0003959600000000, 0.0004601700000000 ] - [ 0.0008038100000000, -0.0017933900000000, 0.0011279900000000 ] - [ -0.0000646500000000, 0.0004302300000000, 0.0005003500000000 ] - [ -0.0006151900000000, 0.0002330900000000, 0.0016828700000000 ] - [ 0.0012028600000000, -0.0008820200000000, 0.0017105900000000 ] - [ -0.0017439000000000, -0.0001898700000000, -0.0000192800000000 ] - [ 0.0008861600000000, 0.0000569700000000, 0.0006257500000000 ] - [ -0.0022653600000000, 0.0020003700000000, -0.0030386400000000 ] - [ 0.0014060300000000, -0.0000643800000000, 0.0002371300000000 ] - [ -0.0023131800000000, 0.0002812200000000, -0.0018090700000000 ] - [ 0.0011229100000000, -0.0001858700000000, 0.0006309200000000 ] - [ -0.0095131600000000, 0.0000258400000000, 0.0015204600000000 ] - [ 0.0034922500000000, 0.0009230500000000, 0.0006452200000000 ] - [ -0.0023752200000000, 0.0004856800000000, -0.0003712300000000 ] - [ 0.0008781000000000, -0.0000471800000000, 0.0004711400000000 ] - [ -0.0002852300000000, 0.0004566800000000, -0.0002783300000000 ] - [ 0.0003099500000000, -0.0002938600000000, 0.0003883700000000 ] - [ 0.0003827100000000, -0.0006630200000000, -0.0005665400000000 ] - [ 0.0015938800000000, 0.0019467800000000, 0.0001942700000000 ] - [ -0.0427003000000000, 0.0090305600000000, 0.0083747500000000 ] - [ 0.0033366600000000, -0.0002337200000000, 0.0016619800000000 ] - [ -0.0054861100000000, -0.0068429800000000, -0.0168827300000000 ] - [ 0.0041581500000000, -0.0018330400000000, 0.0013771700000000 ] - [ -0.0010537500000000, -0.0000541800000000, -0.0006692700000000 ] - [ 0.0015858200000000, -0.0004198600000000, 0.0006528600000000 ] - [ -0.0023851000000000, -0.0012477300000000, -0.0005151900000000 ] - [ 0.0018408300000000, 0.0007343000000000, 0.0005919900000000 ] - [ -0.1556374000000000, 0.0195972200000000, -0.0815667300000000 ] - [ 0.0035565900000000, -0.0006994900000000, 0.0008237400000000 ] - [ -0.0105552900000000, 0.0015564500000000, -0.0042643500000000 ] - [ 0.0041162600000000, -0.0001650300000000, 0.0036947900000000 ] - [ 0.0059037900000000, 0.0169563500000000, -0.0026058200000000 ] - [ 0.0031288000000000, -0.0017151700000000, -0.0001424800000000 ] - [ 0.0020785100000000, 0.0029675800000000, -0.0002353500000000 ] - [ -0.0008579400000000, -0.0035874200000000, 0.0024640600000000 ] - [ -0.0013820200000000, -0.0000436100000000, -0.0010200900000000 ] - [ 0.0020124200000000, -0.0001544200000000, 0.0012156300000000 ] - [ -0.0014944700000000, -0.0003177000000000, -0.0015510000000000 ] - [ 0.0016150300000000, 0.0001087400000000, 0.0006349700000000 ] - [ -0.0002016300000000, 0.0020803700000000, 0.0025935100000000 ] - [ -0.0045163100000000, -0.0012908400000000, 0.0001628100000000 ] - [ 0.0007639200000000, 0.0003003900000000, 0.0003149200000000 ] - [ -0.0009075000000000, 0.0002176000000000, -0.0001126000000000 ] - [ 0.0018066400000000, -0.0009768300000000, 0.0021750100000000 ] - [ -0.0020331200000000, -0.0004874200000000, -0.0021233000000000 ] - [ 0.0116760700000000, 0.0005707200000000, -0.0089723600000000 ] - [ -0.0015219100000000, 0.0001954200000000, -0.0012738700000000 ] - [ -0.0335018200000000, 0.0156366200000000, 0.0004810700000000 ] - [ -0.0024619800000000, 0.0004386000000000, -0.0002800900000000 ] - [ 0.0011804800000000, 0.0002643500000000, 0.0010679200000000 ] - [ -0.0011021800000000, -0.0004932200000000, -0.0007764600000000 ] - [ 0.0005270000000000, -0.0001559500000000, 0.0004468800000000 ] - [ -0.0007879000000000, 0.0005994900000000, -0.0005167500000000 ] - [ 0.0015143900000000, 0.0003709400000000, 0.0004066000000000 ] - [ -0.0013965300000000, 0.0005736900000000, -0.0003442800000000 ] - [ 0.0004711600000000, -0.0008750000000000, 0.0005957500000000 ] - [ -0.0003821800000000, -0.0000020500000000, -0.0001226500000000 ] - [ 0.0010548700000000, 0.0014605900000000, -0.0004194400000000 ] - [ -0.0025372200000000, -0.0015171500000000, -0.0003593000000000 ] - [ 0.0005177600000000, 0.0003203400000000, 0.0007570500000000 ] - [ -0.0006427800000000, -0.0001044000000000, -0.0001054600000000 ] - [ 0.0024681300000000, 0.0005550100000000, 0.0017142400000000 ] - [ -0.0015877300000000, 0.0000726300000000, -0.0013879500000000 ] - [ 0.0006526300000000, 0.0005986100000000, 0.0007563400000000 ] - [ -0.0006952400000000, -0.0001565300000000, -0.0001703400000000 ] - [ -0.0011414300000000, -0.0015157500000000, 0.0011011500000000 ] - [ -0.0012295900000000, 0.0032853100000000, -0.0009902800000000 ] - [ 0.0030718200000000, 0.0043296200000000, -0.0076720300000000 ] - [ -0.0010553200000000, 0.0002684000000000, -0.0010122500000000 ] - [ 0.0099274800000000, 0.0115845100000000, 0.0125440900000000 ] - [ -0.0030365500000000, 0.0010999700000000, -0.0006474300000000 ] - [ 0.0006967900000000, -0.0046334600000000, -0.0020767000000000 ] - [ -0.0009637100000000, 0.0009958900000000, -0.0003419900000000 ] - [ -0.0094847200000000, -0.0062101800000000, -0.0170570200000000 ] - [ -0.0010251900000000, 0.0002257400000000, -0.0003048100000000 ] - [ 0.0001840100000000, -0.0012372900000000, 0.0000843900000000 ] - [ -0.0008810400000000, 0.0012590300000000, -0.0003207000000000 ] - [ 0.2617780800000000, -0.0288785400000000, 0.1285102500000000 ] - [ -0.0023640700000000, 0.0000251100000000, -0.0018948700000000 ] - [ 0.0003759000000000, 0.0001692200000000, 0.0005093100000000 ] - [ -0.0009133200000000, -0.0003075600000000, 0.0002612100000000 ] - [ -0.0003781500000000, -0.0012767200000000, -0.0001847400000000 ] - [ -0.0007019200000000, 0.0006207900000000, -0.0003855900000000 ] - [ 0.0000477200000000, -0.0034779000000000, 0.0011265500000000 ] - [ -0.0006771700000000, 0.0008318600000000, -0.0010201800000000 ] - [ -0.0246869500000000, -0.0306300300000000, -0.0247929700000000 ] - [ -0.0023342400000000, -0.0000152600000000, 0.0000117200000000 ] - [ 0.0049603400000000, -0.0020668100000000, 0.0059257100000000 ] - [ -0.0026071700000000, 0.0007725100000000, -0.0024370400000000 ] - [ 0.0009654500000000, 0.0000403300000000, 0.0012206900000000 ] - [ -0.0013634100000000, 0.0000309600000000, -0.0008028900000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001460800000000, -0.0006668800000000, 0.0000247900000000 ] - [ -0.0002187800000000, -0.0007725100000000, 0.0000159800000000 ] - [ 0.0006153900000000, -0.0007707100000000, 0.0004242400000000 ] - [ -0.0004350400000000, -0.0002095100000000, -0.0001798900000000 ] - [ 0.0004487600000000, 0.0021573300000000, -0.0013095000000000 ] - [ 0.0000536400000000, 0.0011578900000000, -0.0003467100000000 ] - [ -0.0001084400000000, -0.0024004800000000, 0.0003080200000000 ] - [ -0.0002060600000000, -0.0003465600000000, 0.0003172200000000 ] - [ -0.0028798700000000, -0.0007206700000000, 0.0022943100000000 ] - [ 0.0004573000000000, 0.0003992900000000, -0.0003306700000000 ] - [ -0.0004525200000000, -0.0012322600000000, 0.0005788400000000 ] - [ -0.0000656400000000, -0.0001302100000000, -0.0001161000000000 ] - [ 0.0004697000000000, 0.0023987300000000, 0.0003389100000000 ] - [ -0.0003333400000000, 0.0010542400000000, 0.0004866800000000 ] - [ 0.0007688800000000, -0.0019737600000000, -0.0015446500000000 ] - [ -0.0000511000000000, -0.0000843600000000, 0.0001913500000000 ] - [ 0.0000164800000000, -0.0009493100000000, 0.0001728000000000 ] - [ -0.0000566300000000, -0.0005096600000000, 0.0001608400000000 ] - [ 0.0005387200000000, -0.0001961500000000, -0.0003980100000000 ] - [ -0.0011967300000000, -0.0015411200000000, -0.0007284100000000 ] - [ -0.0058060000000000, 0.0562988700000000, 0.0215120900000000 ] - [ 0.0006620800000000, 0.0009245900000000, -0.0002595900000000 ] - [ 0.0116167600000000, 0.0064620400000000, 0.0005387200000000 ] - [ -0.0014828300000000, 0.0016195700000000, 0.0000022900000000 ] - [ -0.0003368100000000, -0.0018893200000000, 0.0001907400000000 ] - [ 0.0007713000000000, -0.0012203600000000, 0.0000109900000000 ] - [ -0.0007330100000000, -0.0031046600000000, 0.0006149600000000 ] - [ 0.0000130000000000, -0.0007899300000000, 0.0000137500000000 ] - [ -0.0271840300000000, 0.0616430800000000, -0.0112024200000000 ] - [ -0.0005262100000000, 0.0012377200000000, 0.0002773300000000 ] - [ -0.0017957300000000, 0.0065589000000000, -0.0020111100000000 ] - [ -0.0009144200000000, 0.0020054500000000, -0.0010985900000000 ] - [ -0.0043509800000000, -0.0064167700000000, 0.0009441600000000 ] - [ 0.0023439800000000, 0.0000502400000000, 0.0008548900000000 ] - [ -0.0008600200000000, -0.0008666100000000, -0.0005650500000000 ] - [ 0.0032943900000000, -0.0014847500000000, 0.0023215600000000 ] - [ 0.0005111100000000, -0.0025957300000000, 0.0004865800000000 ] - [ 0.0003254500000000, -0.0012739000000000, -0.0000236800000000 ] - [ 0.0002664600000000, -0.0030815500000000, -0.0000412800000000 ] - [ 0.0000920300000000, -0.0012294200000000, -0.0001717500000000 ] - [ -0.0027211100000000, 0.0001171200000000, -0.0004342000000000 ] - [ 0.0033115800000000, -0.0004426400000000, 0.0001224800000000 ] - [ 0.0000118500000000, 0.0015580700000000, -0.0007023200000000 ] - [ -0.0000687400000000, 0.0007112900000000, 0.0000489700000000 ] - [ 0.0006313400000000, -0.0028154100000000, -0.0001774200000000 ] - [ -0.0001476600000000, -0.0010438400000000, -0.0002157300000000 ] - [ 0.0001616600000000, -0.0086060400000000, -0.0062186800000000 ] - [ 0.0002717700000000, -0.0009713400000000, 0.0003870800000000 ] - [ -0.0083394000000000, -0.0087044900000000, -0.0039318900000000 ] - [ 0.0004705100000000, -0.0005285800000000, -0.0006197600000000 ] - [ -0.0000596100000000, 0.0012740100000000, 0.0004027400000000 ] - [ -0.0000630400000000, 0.0003244700000000, 0.0001985800000000 ] - [ -0.0003089200000000, 0.0018148600000000, -0.0001846300000000 ] - [ -0.0002675900000000, 0.0008821700000000, -0.0001517900000000 ] - [ 0.0006106700000000, 0.0022251700000000, -0.0003239100000000 ] - [ -0.0001613800000000, 0.0010111600000000, -0.0000368700000000 ] - [ -0.0000159300000000, 0.0016018200000000, -0.0000739600000000 ] - [ -0.0000480100000000, 0.0003381000000000, 0.0000217700000000 ] - [ -0.0018693900000000, 0.0022874900000000, -0.0015601400000000 ] - [ 0.0000366800000000, 0.0000473000000000, -0.0000565500000000 ] - [ -0.0003132700000000, 0.0012245200000000, 0.0005923000000000 ] - [ 0.0000507700000000, 0.0007126100000000, 0.0005393200000000 ] - [ -0.0009070400000000, -0.0020774800000000, 0.0016235600000000 ] - [ 0.0007796300000000, -0.0009328700000000, 0.0003837900000000 ] - [ -0.0003908800000000, 0.0017926500000000, 0.0003722200000000 ] - [ -0.0000760500000000, 0.0006627200000000, 0.0004703600000000 ] - [ 0.0010376400000000, 0.0003093800000000, 0.0001379000000000 ] - [ -0.0016648800000000, 0.0010817700000000, -0.0004576000000000 ] - [ -0.0102729200000000, -0.0056957400000000, -0.0152995100000000 ] - [ 0.0001637600000000, -0.0003779800000000, -0.0000439700000000 ] - [ -0.0198818400000000, 0.0243681600000000, 0.0307609200000000 ] - [ 0.0002767400000000, 0.0000424200000000, 0.0000968800000000 ] - [ 0.0004772700000000, 0.0019988000000000, 0.0002938800000000 ] - [ -0.0007383200000000, 0.0007285000000000, -0.0004657400000000 ] - [ 0.0232744000000000, 0.0011937600000000, 0.0221053700000000 ] - [ -0.0000599900000000, -0.0005837200000000, -0.0001449600000000 ] - [ -0.0002902900000000, 0.0007837100000000, 0.0001428100000000 ] - [ -0.0013730900000000, 0.0013429900000000, -0.0001749000000000 ] - [ 0.0301063400000000, -0.1304382100000000, -0.0555053300000000 ] - [ 0.0001844500000000, -0.0004824700000000, -0.0003141500000000 ] - [ -0.0000843300000000, 0.0009817800000000, 0.0003735500000000 ] - [ -0.0001831800000000, 0.0005405300000000, 0.0004535000000000 ] - [ -0.0003461600000000, 0.0003521900000000, 0.0015061000000000 ] - [ -0.0009759300000000, -0.0002705600000000, -0.0004192700000000 ] - [ 0.0013660900000000, 0.0012862200000000, -0.0011124100000000 ] - [ -0.0001357700000000, 0.0002212000000000, -0.0011603600000000 ] - [ 0.0167102500000000, 0.0072478500000000, 0.0136447200000000 ] - [ -0.0009322600000000, -0.0008806700000000, -0.0001513600000000 ] - [ -0.0006660400000000, -0.0041624600000000, 0.0018573100000000 ] - [ 0.0006592800000000, -0.0011667600000000, 0.0007225800000000 ] - [ -0.0001717300000000, 0.0010400700000000, -0.0001687200000000 ] - [ -0.0001830700000000, 0.0005656200000000, 0.0000928000000000 ]- atom: 79 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001490100000000, 0.0006062400000000, 0.0000981700000000 ] - [ -0.0000723800000000, 0.0007138900000000, 0.0001090300000000 ] - [ -0.0009241200000000, 0.0006808600000000, 0.0002053700000000 ] - [ 0.0001191000000000, 0.0001321200000000, 0.0008078900000000 ] - [ -0.0004429700000000, -0.0022180300000000, 0.0010218600000000 ] - [ -0.0000427700000000, -0.0012264100000000, 0.0000549600000000 ] - [ -0.0002746800000000, 0.0024473400000000, 0.0003466700000000 ] - [ -0.0001721000000000, 0.0003911300000000, 0.0003394800000000 ] - [ 0.0032974500000000, 0.0008213100000000, -0.0029791600000000 ] - [ -0.0000730500000000, -0.0003520700000000, -0.0003237000000000 ] - [ 0.0004403300000000, 0.0010947400000000, -0.0007292200000000 ] - [ 0.0000684000000000, -0.0000049700000000, -0.0000251200000000 ] - [ -0.0001328700000000, -0.0024752700000000, -0.0004808100000000 ] - [ 0.0006359900000000, -0.0011037500000000, -0.0006079000000000 ] - [ -0.0007754800000000, 0.0018359100000000, 0.0016826000000000 ] - [ 0.0000523500000000, -0.0000485400000000, -0.0000462300000000 ] - [ -0.0000257200000000, 0.0008788200000000, 0.0001242000000000 ] - [ 0.0000470900000000, 0.0004375200000000, 0.0001362300000000 ] - [ -0.0002195200000000, 0.0001200400000000, -0.0002283200000000 ] - [ 0.0015171700000000, 0.0014723700000000, 0.0001024000000000 ] - [ 0.0052760300000000, -0.0572416100000000, -0.0236938500000000 ] - [ -0.0007387700000000, -0.0013533600000000, 0.0001728700000000 ] - [ -0.0120357000000000, -0.0065205700000000, -0.0008295200000000 ] - [ 0.0011354500000000, -0.0016176600000000, -0.0001820700000000 ] - [ 0.0004126500000000, 0.0014541200000000, -0.0001028700000000 ] - [ -0.0006797600000000, 0.0007869300000000, 0.0000813000000000 ] - [ 0.0010813500000000, 0.0030957200000000, -0.0004327000000000 ] - [ 0.0003473100000000, 0.0007954700000000, 0.0001690400000000 ] - [ 0.0256329200000000, -0.0613810500000000, 0.0107292500000000 ] - [ -0.0002801900000000, -0.0015714700000000, -0.0002170600000000 ] - [ 0.0015270300000000, -0.0068953700000000, 0.0019121400000000 ] - [ 0.0006411200000000, -0.0023351500000000, 0.0010151200000000 ] - [ 0.0040361200000000, 0.0074209800000000, -0.0007507100000000 ] - [ -0.0026703200000000, 0.0009327300000000, -0.0006672500000000 ] - [ 0.0011867400000000, 0.0018614600000000, 0.0003777600000000 ] - [ -0.0029430500000000, 0.0024724700000000, -0.0024986300000000 ] - [ 0.0002976700000000, 0.0022574900000000, -0.0005432800000000 ] - [ 0.0004917400000000, 0.0009351100000000, -0.0000298900000000 ] - [ 0.0000104600000000, 0.0027325600000000, 0.0001262300000000 ] - [ 0.0001945300000000, 0.0008886900000000, 0.0002663900000000 ] - [ 0.0042670500000000, -0.0011508300000000, 0.0008249100000000 ] - [ -0.0017928000000000, -0.0005966200000000, 0.0002521200000000 ] - [ -0.0003629300000000, -0.0010562900000000, 0.0010777500000000 ] - [ -0.0002869500000000, -0.0002120200000000, 0.0003283600000000 ] - [ -0.0006718800000000, 0.0025110600000000, -0.0000957800000000 ] - [ 0.0000982800000000, 0.0007308000000000, -0.0000638100000000 ] - [ 0.0001720400000000, 0.0084674100000000, 0.0058645600000000 ] - [ 0.0000355500000000, 0.0008289500000000, -0.0008529400000000 ] - [ 0.0086646500000000, 0.0093093700000000, 0.0035420100000000 ] - [ -0.0001222600000000, 0.0010270200000000, 0.0002403700000000 ] - [ -0.0001979200000000, -0.0016517000000000, -0.0005354700000000 ] - [ -0.0001996500000000, -0.0007075400000000, -0.0003387400000000 ] - [ -0.0000093600000000, -0.0013786000000000, 0.0000965500000000 ] - [ -0.0000536100000000, -0.0004433100000000, 0.0000630400000000 ] - [ -0.0005839600000000, -0.0010467600000000, 0.0002204500000000 ] - [ 0.0001762700000000, 0.0001620500000000, -0.0000677200000000 ] - [ 0.0000585200000000, -0.0019039500000000, 0.0003448700000000 ] - [ 0.0000871000000000, -0.0006431400000000, 0.0002477300000000 ] - [ 0.0003228300000000, -0.0033009500000000, 0.0011732900000000 ] - [ -0.0015719900000000, -0.0010868000000000, -0.0003189400000000 ] - [ 0.0001852600000000, -0.0009028100000000, 0.0001113700000000 ] - [ -0.0001805100000000, -0.0003908100000000, 0.0001637900000000 ] - [ 0.0011100000000000, 0.0021753200000000, -0.0020577500000000 ] - [ -0.0005774600000000, 0.0010314300000000, -0.0008253700000000 ] - [ 0.0001877900000000, -0.0016829000000000, 0.0000719300000000 ] - [ -0.0001316000000000, -0.0005601800000000, -0.0000313000000000 ] - [ -0.0008084200000000, -0.0000893600000000, 0.0006346100000000 ] - [ 0.0018828900000000, -0.0008554400000000, 0.0012248900000000 ] - [ 0.0104025800000000, 0.0060729000000000, 0.0147267900000000 ] - [ -0.0000382400000000, 0.0006986300000000, -0.0006617800000000 ] - [ 0.0202371800000000, -0.0235866500000000, -0.0312261100000000 ] - [ -0.0003035400000000, 0.0011308200000000, 0.0000057800000000 ] - [ -0.0007068200000000, -0.0017778600000000, -0.0010683800000000 ] - [ 0.0005095900000000, -0.0005003500000000, -0.0003088500000000 ] - [ -0.0227070100000000, -0.0006799900000000, -0.0218124900000000 ] - [ 0.0003759100000000, 0.0010166800000000, 0.0002308500000000 ] - [ -0.0001777600000000, -0.0010472500000000, -0.0000699300000000 ] - [ 0.0008914700000000, -0.0015999400000000, 0.0002458700000000 ] - [ -0.0290798100000000, 0.1306164300000000, 0.0581255300000000 ] - [ 0.0001386000000000, 0.0005785900000000, -0.0001304900000000 ] - [ -0.0002233300000000, -0.0011185500000000, 0.0000940400000000 ] - [ -0.0001320600000000, -0.0006819900000000, 0.0000116700000000 ] - [ -0.0005589300000000, -0.0006785800000000, -0.0003786800000000 ] - [ 0.0000645100000000, -0.0000544600000000, 0.0015426000000000 ] - [ -0.0004648200000000, -0.0016149900000000, -0.0000176900000000 ] - [ 0.0010406000000000, -0.0005419300000000, 0.0000328300000000 ] - [ -0.0164028900000000, -0.0075194600000000, -0.0138853300000000 ] - [ 0.0013999500000000, 0.0006195200000000, 0.0000801600000000 ] - [ 0.0009462000000000, 0.0037858200000000, -0.0017073100000000 ] - [ -0.0004063800000000, 0.0007842300000000, -0.0005897000000000 ] - [ -0.0001508900000000, -0.0009396400000000, 0.0006105600000000 ] - [ -0.0001476400000000, -0.0004661400000000, 0.0003446000000000 ]- atom: 79 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ -0.0000536100000000, -0.0000648900000000, -0.0001257600000000 ] - [ -0.0003003000000000, -0.0003409000000000, -0.0000728400000000 ] - [ -0.0018345600000000, 0.0015888800000000, 0.0004744300000000 ] - [ -0.0003565300000000, -0.0004032700000000, -0.0003566400000000 ] - [ 0.0008202200000000, -0.0005625200000000, -0.0032291600000000 ] - [ -0.0018835700000000, 0.0003977600000000, -0.0007739300000000 ] - [ -0.0001082400000000, -0.0018455900000000, 0.0007205600000000 ] - [ -0.0004392600000000, -0.0000443800000000, 0.0001489700000000 ] - [ 0.0014237300000000, 0.0019960000000000, 0.0019389500000000 ] - [ 0.0000109800000000, 0.0000702100000000, -0.0005180400000000 ] - [ 0.0021806300000000, 0.0020385900000000, -0.0008801200000000 ] - [ -0.0004025000000000, -0.0000132300000000, -0.0001081900000000 ] - [ -0.0057863900000000, 0.0006380500000000, 0.0034373300000000 ] - [ -0.0002239500000000, 0.0007656000000000, 0.0007991100000000 ] - [ 0.0012018800000000, -0.0017431000000000, -0.0009353300000000 ] - [ -0.0004055000000000, -0.0000719200000000, -0.0000301500000000 ] - [ 0.0001105600000000, -0.0002460300000000, 0.0002483200000000 ] - [ -0.0001136800000000, -0.0001813000000000, 0.0001857200000000 ] - [ 0.0003229300000000, 0.0002208200000000, -0.0007396400000000 ] - [ -0.0010724600000000, -0.0016227700000000, -0.0005981700000000 ] - [ -0.0222152800000000, 0.0225098000000000, 0.0555166100000000 ] - [ 0.0000191700000000, 0.0004891200000000, -0.0012185600000000 ] - [ 0.0114923200000000, 0.0012523500000000, -0.0008199700000000 ] - [ -0.0015521400000000, 0.0010919800000000, -0.0003373700000000 ] - [ 0.0006592600000000, -0.0005003100000000, 0.0004317300000000 ] - [ -0.0002973000000000, -0.0004092100000000, -0.0001516700000000 ] - [ 0.0006243000000000, 0.0001806600000000, 0.0006326000000000 ] - [ -0.0002722400000000, -0.0004003200000000, -0.0001907000000000 ] - [ 0.0014601600000000, 0.0023238700000000, 0.0738353200000000 ] - [ -0.0009657600000000, 0.0000076600000000, -0.0011445800000000 ] - [ 0.0170818700000000, -0.0001435900000000, -0.0145214900000000 ] - [ -0.0022485900000000, 0.0002355500000000, -0.0018457400000000 ] - [ -0.0032997000000000, -0.0044974400000000, 0.0029875300000000 ] - [ 0.0034775100000000, -0.0003423900000000, -0.0008070300000000 ] - [ -0.0001681900000000, -0.0004554700000000, -0.0008271600000000 ] - [ -0.0005782700000000, 0.0006557800000000, 0.0015024700000000 ] - [ 0.0010554700000000, -0.0010373700000000, 0.0000136100000000 ] - [ -0.0001469600000000, -0.0003999200000000, -0.0005387600000000 ] - [ 0.0004437400000000, -0.0004471400000000, 0.0018093900000000 ] - [ -0.0002307400000000, -0.0005306800000000, -0.0003185000000000 ] - [ -0.0034685200000000, 0.0011154100000000, 0.0003775900000000 ] - [ 0.0029058000000000, -0.0003193400000000, 0.0000807700000000 ] - [ -0.0004148300000000, 0.0005026100000000, 0.0000366500000000 ] - [ 0.0000499000000000, 0.0003638700000000, 0.0003343900000000 ] - [ -0.0041021900000000, 0.0018580800000000, 0.0057457300000000 ] - [ 0.0012988200000000, -0.0001443300000000, 0.0001399200000000 ] - [ -0.0032508000000000, -0.0021679700000000, 0.0487548100000000 ] - [ 0.0008056900000000, -0.0005272900000000, 0.0007952300000000 ] - [ -0.0176511000000000, 0.0046274100000000, -0.0141372100000000 ] - [ 0.0002400000000000, -0.0000223700000000, -0.0000908900000000 ] - [ -0.0005568300000000, -0.0002539600000000, -0.0008653000000000 ] - [ 0.0001342000000000, 0.0000663800000000, 0.0002629000000000 ] - [ -0.0005027200000000, 0.0009115600000000, 0.0001484000000000 ] - [ 0.0001110700000000, 0.0001599400000000, 0.0000812400000000 ] - [ -0.0004093400000000, 0.0005101400000000, -0.0003797100000000 ] - [ 0.0003438600000000, 0.0007416000000000, 0.0000525600000000 ] - [ -0.0000887400000000, 0.0005695000000000, -0.0002906400000000 ] - [ 0.0001361300000000, -0.0000961200000000, 0.0002563300000000 ] - [ -0.0006617200000000, -0.0009784300000000, -0.0007543500000000 ] - [ -0.0002008000000000, -0.0001036200000000, -0.0000012900000000 ] - [ -0.0004127800000000, 0.0005276500000000, 0.0005005300000000 ] - [ 0.0002133400000000, 0.0004104900000000, 0.0005357400000000 ] - [ -0.0046449800000000, -0.0022824200000000, 0.0053583700000000 ] - [ 0.0011465300000000, -0.0001400300000000, 0.0003059300000000 ] - [ -0.0003253300000000, -0.0005212100000000, -0.0004183400000000 ] - [ 0.0000603400000000, 0.0002978200000000, 0.0004313500000000 ] - [ 0.0004144100000000, 0.0001877500000000, -0.0000247200000000 ] - [ -0.0001155700000000, 0.0006742800000000, -0.0005657500000000 ] - [ 0.0196623300000000, -0.0128683400000000, 0.0136995100000000 ] - [ 0.0005169100000000, 0.0000156600000000, 0.0002972700000000 ] - [ -0.0139295000000000, 0.0304443700000000, 0.0174564200000000 ] - [ 0.0005624500000000, 0.0002192900000000, 0.0003518900000000 ] - [ 0.0008339000000000, 0.0016177700000000, -0.0003096800000000 ] - [ -0.0008560700000000, 0.0002224300000000, 0.0008031700000000 ] - [ 0.0226054000000000, 0.0094119300000000, 0.0071347300000000 ] - [ 0.0004636800000000, 0.0000939700000000, 0.0006637600000000 ] - [ -0.0005457000000000, 0.0004535400000000, 0.0001373000000000 ] - [ 0.0000042000000000, -0.0000910900000000, -0.0001546400000000 ] - [ -0.0066628600000000, -0.0623350400000000, -0.2014178400000000 ] - [ 0.0006037800000000, -0.0000460300000000, 0.0004523500000000 ] - [ -0.0001449500000000, 0.0000879000000000, -0.0003570200000000 ] - [ 0.0000076800000000, 0.0001120800000000, 0.0003419400000000 ] - [ -0.0007317700000000, 0.0003918300000000, 0.0014977000000000 ] - [ 0.0000975000000000, -0.0007493000000000, 0.0000848000000000 ] - [ 0.0003753700000000, 0.0005386900000000, -0.0023308500000000 ] - [ -0.0001495700000000, 0.0001967300000000, -0.0007776300000000 ] - [ 0.0125761700000000, 0.0080153000000000, -0.0019292100000000 ] - [ -0.0008060900000000, -0.0006273900000000, 0.0006478100000000 ] - [ -0.0038365800000000, -0.0010448200000000, 0.0018719400000000 ] - [ 0.0012053700000000, -0.0007398600000000, 0.0010476300000000 ] - [ -0.0005881800000000, 0.0003978400000000, -0.0000299500000000 ] - [ 0.0002537100000000, 0.0001562000000000, 0.0005552000000000 ]- atom: 79 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ -0.0002399100000000, 0.0000078500000000, 0.0002478600000000 ] - [ 0.0000087400000000, 0.0002842400000000, 0.0001965100000000 ] - [ 0.0015209000000000, -0.0016755800000000, 0.0001537800000000 ] - [ 0.0000426800000000, 0.0003318200000000, 0.0009837900000000 ] - [ -0.0008224500000000, 0.0004932100000000, 0.0029427400000000 ] - [ 0.0019091700000000, -0.0004644200000000, 0.0004804300000000 ] - [ -0.0002770000000000, 0.0018863800000000, -0.0000665600000000 ] - [ 0.0000609500000000, 0.0000895500000000, 0.0005069200000000 ] - [ -0.0010220600000000, -0.0019116100000000, -0.0026418200000000 ] - [ 0.0003758300000000, -0.0000234700000000, -0.0001345800000000 ] - [ -0.0021923600000000, -0.0021645400000000, 0.0007303500000000 ] - [ 0.0004055100000000, -0.0001210100000000, -0.0000353600000000 ] - [ 0.0057633400000000, -0.0006627300000000, -0.0035400400000000 ] - [ 0.0005340700000000, -0.0008151700000000, -0.0009194100000000 ] - [ -0.0012174200000000, 0.0016078100000000, 0.0010792200000000 ] - [ 0.0004131700000000, -0.0000623100000000, 0.0001812100000000 ] - [ -0.0001198200000000, 0.0001772000000000, 0.0000483800000000 ] - [ 0.0001049100000000, 0.0001114700000000, 0.0001117800000000 ] - [ -0.0000022200000000, -0.0003036600000000, 0.0001152200000000 ] - [ 0.0014004000000000, 0.0015624600000000, -0.0000271200000000 ] - [ 0.0211781800000000, -0.0256232500000000, -0.0594067300000000 ] - [ -0.0000918900000000, -0.0009205600000000, 0.0011368300000000 ] - [ -0.0118686500000000, -0.0012817800000000, 0.0005141100000000 ] - [ 0.0012052500000000, -0.0010881400000000, 0.0001635100000000 ] - [ -0.0005835900000000, 0.0000701100000000, -0.0003454900000000 ] - [ 0.0003893000000000, -0.0000246000000000, 0.0002442000000000 ] - [ -0.0002748400000000, -0.0001810100000000, -0.0004544600000000 ] - [ 0.0006370800000000, 0.0004089300000000, 0.0003739300000000 ] - [ -0.0024078100000000, -0.0027342100000000, -0.0740075400000000 ] - [ 0.0001703100000000, -0.0003377900000000, 0.0012144200000000 ] - [ -0.0174783000000000, -0.0001532100000000, 0.0144194000000000 ] - [ 0.0019844900000000, -0.0005737500000000, 0.0017652900000000 ] - [ 0.0029759700000000, 0.0054824400000000, -0.0027807800000000 ] - [ -0.0037924800000000, 0.0013192500000000, 0.0009913600000000 ] - [ 0.0005025500000000, 0.0014587100000000, 0.0006397400000000 ] - [ 0.0009110100000000, 0.0003156400000000, -0.0016878500000000 ] - [ -0.0002476200000000, 0.0007006200000000, -0.0000767300000000 ] - [ 0.0009660700000000, 0.0000645500000000, 0.0004849500000000 ] - [ -0.0001692300000000, 0.0001104000000000, -0.0017235900000000 ] - [ 0.0005189900000000, 0.0001911700000000, 0.0004149300000000 ] - [ 0.0049958500000000, -0.0021358400000000, 0.0000161200000000 ] - [ -0.0013865700000000, -0.0007196000000000, 0.0002889600000000 ] - [ 0.0000632100000000, -0.0000042300000000, 0.0003428400000000 ] - [ -0.0004070000000000, 0.0001332500000000, 0.0000427300000000 ] - [ 0.0040748700000000, -0.0021971000000000, -0.0060122000000000 ] - [ -0.0013474700000000, -0.0001636200000000, -0.0004200000000000 ] - [ 0.0034056500000000, 0.0020665700000000, -0.0501409500000000 ] - [ -0.0005020300000000, 0.0003892300000000, -0.0012658000000000 ] - [ 0.0180160700000000, -0.0041289000000000, 0.0138659900000000 ] - [ 0.0001042800000000, 0.0005175000000000, -0.0002942500000000 ] - [ 0.0002997400000000, -0.0001273000000000, 0.0007302400000000 ] - [ -0.0003984900000000, -0.0004507400000000, -0.0004054400000000 ] - [ 0.0001848700000000, -0.0004766500000000, -0.0002351500000000 ] - [ -0.0004314000000000, 0.0002775800000000, -0.0001703800000000 ] - [ 0.0004346900000000, 0.0006647800000000, 0.0002782300000000 ] - [ -0.0003316300000000, 0.0004336700000000, -0.0001582400000000 ] - [ 0.0001322500000000, -0.0008802400000000, 0.0005625400000000 ] - [ -0.0000976700000000, -0.0002088700000000, 0.0000119600000000 ] - [ -0.0008676200000000, -0.0000524600000000, 0.0003795900000000 ] - [ -0.0013400500000000, -0.0009391000000000, -0.0003760600000000 ] - [ 0.0002866500000000, -0.0002050700000000, 0.0002043700000000 ] - [ -0.0003442400000000, -0.0000909700000000, 0.0001667900000000 ] - [ 0.0048708100000000, 0.0024064700000000, -0.0057918000000000 ] - [ -0.0009498500000000, 0.0002427400000000, -0.0007504900000000 ] - [ 0.0001227200000000, 0.0006238800000000, 0.0008597600000000 ] - [ -0.0002687600000000, -0.0001944100000000, 0.0000066300000000 ] - [ -0.0001897600000000, 0.0000287900000000, 0.0007985400000000 ] - [ 0.0003396800000000, -0.0004428000000000, 0.0013332400000000 ] - [ -0.0192884500000000, 0.0129559700000000, -0.0142586000000000 ] - [ -0.0003955200000000, 0.0003031000000000, -0.0010068700000000 ] - [ 0.0139581800000000, -0.0297112100000000, -0.0174198700000000 ] - [ -0.0005909100000000, 0.0009568300000000, -0.0002517100000000 ] - [ -0.0010645800000000, -0.0013944300000000, -0.0004662600000000 ] - [ 0.0006253600000000, 0.0000062400000000, -0.0015735700000000 ] - [ -0.0221490800000000, -0.0088923800000000, -0.0072369500000000 ] - [ -0.0001543700000000, 0.0003391600000000, -0.0005845100000000 ] - [ 0.0000782700000000, -0.0007221200000000, -0.0000653700000000 ] - [ -0.0004819500000000, -0.0001644800000000, 0.0002256500000000 ] - [ 0.0081708000000000, 0.0656925000000000, 0.2059194400000000 ] - [ -0.0002870600000000, 0.0001417900000000, -0.0009037500000000 ] - [ -0.0001615600000000, -0.0002266500000000, 0.0008227000000000 ] - [ -0.0003229300000000, -0.0002528700000000, 0.0001219100000000 ] - [ -0.0001713800000000, -0.0007224900000000, -0.0003775600000000 ] - [ -0.0010095300000000, 0.0004319200000000, 0.0010407600000000 ] - [ 0.0005272800000000, -0.0008696300000000, 0.0011984800000000 ] - [ 0.0010527600000000, -0.0005153200000000, -0.0003517400000000 ] - [ -0.0120988100000000, -0.0082820000000000, 0.0019724000000000 ] - [ 0.0012701300000000, 0.0003677500000000, -0.0007187500000000 ] - [ 0.0041244000000000, 0.0006377400000000, -0.0016841800000000 ] - [ -0.0009546500000000, 0.0003586900000000, -0.0009180600000000 ] - [ 0.0002678300000000, -0.0002989000000000, 0.0004746900000000 ] - [ -0.0005842700000000, -0.0000567500000000, -0.0001188700000000 ]- atom: 83 displacement: [ 0.0099999940119032, 0.0000000000000000, 0.0000109435780322 ] forces: - [ 0.0014891500000000, -0.0001337900000000, 0.0001852600000000 ] - [ -0.0008632000000000, -0.0000756600000000, -0.0002488500000000 ] - [ 0.0004127300000000, -0.0000880900000000, 0.0006372700000000 ] - [ -0.0007880700000000, -0.0001933000000000, 0.0000106000000000 ] - [ 0.0030046300000000, -0.0005148000000000, -0.0000009400000000 ] - [ -0.0006648000000000, -0.0000069000000000, -0.0003830200000000 ] - [ -0.0004127800000000, 0.0002060200000000, 0.0003876400000000 ] - [ -0.0001204100000000, -0.0005318900000000, 0.0003409400000000 ] - [ -0.0027071900000000, -0.0013508900000000, 0.0026363300000000 ] - [ -0.0015795100000000, 0.0009745800000000, -0.0007850000000000 ] - [ 0.0000968400000000, -0.0001601000000000, -0.0002224700000000 ] - [ -0.0000362200000000, -0.0002039800000000, 0.0000007000000000 ] - [ -0.0003659900000000, -0.0001717600000000, -0.0006939100000000 ] - [ 0.0009444900000000, -0.0004356700000000, 0.0004430900000000 ] - [ 0.0048606700000000, -0.0007913800000000, 0.0036257400000000 ] - [ -0.0003013100000000, 0.0002514800000000, -0.0006175500000000 ] - [ -0.0005766500000000, 0.0001012500000000, -0.0003078900000000 ] - [ 0.0010005300000000, -0.0001210000000000, 0.0008182400000000 ] - [ -0.0010538400000000, 0.0001846700000000, -0.0009749100000000 ] - [ -0.0003750300000000, -0.0000830700000000, 0.0037819700000000 ] - [ -0.0010880200000000, -0.0008939400000000, 0.0004512800000000 ] - [ 0.0011618800000000, 0.0015864000000000, -0.0014969300000000 ] - [ 0.0001729800000000, -0.0016998500000000, 0.0013386500000000 ] - [ -0.0009506100000000, 0.0005344500000000, -0.0006147500000000 ] - [ -0.0000521700000000, 0.0034226100000000, 0.0022810300000000 ] - [ -0.0028382100000000, -0.0014181900000000, -0.0003497100000000 ] - [ -0.0028829700000000, 0.0004983000000000, 0.0001146200000000 ] - [ -0.0081324900000000, -0.0114316400000000, 0.0032690900000000 ] - [ -0.0001869600000000, -0.0002549100000000, 0.0006191300000000 ] - [ -0.0014993500000000, 0.0002565900000000, -0.0006862000000000 ] - [ -0.0026242800000000, -0.0036409000000000, 0.0005312400000000 ] - [ -0.0022897800000000, 0.0016543200000000, 0.0013769600000000 ] - [ -0.0016518700000000, 0.0001670600000000, -0.0004315900000000 ] - [ 0.0017833400000000, 0.0006290900000000, 0.0006243100000000 ] - [ 0.0667456500000000, 0.0157984600000000, 0.0413788700000000 ] - [ -0.0026484300000000, 0.0011310100000000, -0.0009767100000000 ] - [ -0.0014573700000000, 0.0020497500000000, -0.0001203000000000 ] - [ -0.0018176200000000, -0.0022117300000000, 0.0021965600000000 ] - [ 0.0001755300000000, 0.0003982700000000, 0.0013455400000000 ] - [ -0.0024738700000000, -0.0010710000000000, -0.0024634300000000 ] - [ -0.0005785300000000, 0.0001466000000000, -0.0001425800000000 ] - [ 0.0017900500000000, -0.0007956100000000, 0.0003938800000000 ] - [ 0.0008110100000000, -0.0001379000000000, 0.0002781800000000 ] - [ 0.0015585600000000, 0.0032737800000000, -0.0018276100000000 ] - [ 0.0005889000000000, 0.0012085800000000, 0.0003611700000000 ] - [ -0.0000329600000000, -0.0008703600000000, -0.0008993700000000 ] - [ 0.0012642000000000, 0.0006079800000000, -0.0010186700000000 ] - [ 0.0017867200000000, -0.0028883600000000, -0.0002869500000000 ] - [ 0.0001008000000000, 0.0005490600000000, -0.0007618600000000 ] - [ 0.0006735500000000, 0.0001532400000000, 0.0000468700000000 ] - [ 0.0003829300000000, -0.0008394200000000, -0.0008391500000000 ] - [ 0.0015907800000000, 0.0039089600000000, 0.0023204500000000 ] - [ 0.0004146600000000, -0.0006505300000000, 0.0002526700000000 ] - [ -0.0002067800000000, 0.0012849400000000, -0.0008737100000000 ] - [ 0.0023356900000000, -0.0016883200000000, -0.0014537200000000 ] - [ 0.0040947900000000, 0.0022147600000000, -0.0002048000000000 ] - [ -0.0012723300000000, -0.0000697200000000, -0.0006384200000000 ] - [ 0.0009686700000000, -0.0001675000000000, 0.0010717700000000 ] - [ 0.0012456600000000, -0.0001641200000000, 0.0000347700000000 ] - [ 0.0156953500000000, 0.0156245700000000, 0.0254861600000000 ] - [ 0.0012435800000000, -0.0012213700000000, 0.0008890800000000 ] - [ 0.0002401700000000, 0.0005783900000000, -0.0003897500000000 ] - [ 0.0025922600000000, 0.0024841700000000, 0.0007269700000000 ] - [ 0.0008307100000000, -0.0007115200000000, -0.0010741400000000 ] - [ -0.0002815600000000, -0.0001729300000000, -0.0001220200000000 ] - [ 0.0004148100000000, 0.0007689900000000, 0.0010645200000000 ] - [ -0.0124679400000000, 0.0015055000000000, -0.0129359600000000 ] - [ 0.0010535500000000, -0.0000605800000000, 0.0008901600000000 ] - [ -0.0002679900000000, 0.0003407500000000, -0.0005589500000000 ] - [ 0.0004261700000000, -0.0000191500000000, -0.0000196000000000 ] - [ 0.0004252600000000, 0.0010622900000000, -0.0003372600000000 ] - [ 0.0002933000000000, -0.0000273400000000, 0.0004753800000000 ] - [ 0.0004149100000000, 0.0001948500000000, -0.0001883100000000 ] - [ -0.0008237900000000, 0.0001858500000000, -0.0004908300000000 ] - [ -0.0010502300000000, 0.0000080900000000, -0.0007665900000000 ] - [ 0.0008580700000000, -0.0000426000000000, 0.0005194200000000 ] - [ -0.0108192800000000, -0.0077604000000000, -0.0074606200000000 ] - [ 0.0016743500000000, -0.0008217800000000, 0.0002473900000000 ] - [ 0.0000872600000000, 0.0001566600000000, -0.0005627200000000 ] - [ 0.0004154200000000, -0.0004730200000000, 0.0005085200000000 ] - [ -0.0002416700000000, -0.0007917600000000, -0.0006688000000000 ] - [ 0.0009969900000000, 0.0004466400000000, 0.0006402700000000 ] - [ -0.0632179700000000, -0.0190539400000000, -0.0589590400000000 ] - [ 0.0004389300000000, -0.0002556800000000, 0.0010951100000000 ] - [ 0.0008895300000000, -0.0001072100000000, -0.0001904300000000 ] - [ -0.0001223700000000, -0.0001145200000000, -0.0009798600000000 ] - [ 0.0011506400000000, 0.0003812800000000, 0.0000046800000000 ] - [ -0.0010427200000000, -0.0007015500000000, 0.0000007500000000 ] - [ 0.0010664200000000, 0.0021034200000000, -0.0005454500000000 ] - [ 0.0009800100000000, -0.0007144300000000, 0.0004480800000000 ] - [ 0.0002544700000000, -0.0008653100000000, 0.0003353500000000 ] - [ 0.0009676000000000, 0.0006377200000000, 0.0000846800000000 ]- atom: 83 displacement: [ -0.0099999940119032, 0.0000000000000000, -0.0000109435780322 ] forces: - [ -0.0017797700000000, 0.0000840700000000, -0.0000713700000000 ] - [ 0.0005723100000000, 0.0000187300000000, 0.0003720800000000 ] - [ -0.0007300100000000, 0.0000130700000000, -0.0000103800000000 ] - [ 0.0004725500000000, 0.0001180700000000, 0.0006164600000000 ] - [ -0.0030103900000000, 0.0005056900000000, -0.0002947000000000 ] - [ 0.0006779100000000, -0.0000602700000000, 0.0000856400000000 ] - [ 0.0000307400000000, -0.0001578900000000, 0.0002666400000000 ] - [ -0.0002582900000000, 0.0005783700000000, 0.0003154900000000 ] - [ 0.0030909900000000, 0.0014048400000000, -0.0033274300000000 ] - [ 0.0019595700000000, -0.0009268000000000, 0.0001277300000000 ] - [ -0.0000974900000000, 0.0000280600000000, 0.0000834600000000 ] - [ 0.0000373800000000, 0.0000698400000000, -0.0001414700000000 ] - [ 0.0006605800000000, 0.0001205400000000, 0.0005746000000000 ] - [ -0.0006470500000000, 0.0003621000000000, -0.0005596500000000 ] - [ -0.0049334700000000, 0.0006851700000000, -0.0036853800000000 ] - [ 0.0003081000000000, -0.0003854200000000, 0.0007662300000000 ] - [ 0.0005675300000000, -0.0001718800000000, 0.0006066800000000 ] - [ -0.0010024300000000, 0.0000621300000000, -0.0005096200000000 ] - [ 0.0013769200000000, -0.0002621900000000, 0.0003507500000000 ] - [ 0.0006929300000000, 0.0000104600000000, -0.0043837000000000 ] - [ 0.0010066300000000, 0.0004686900000000, -0.0005477700000000 ] - [ -0.0012399100000000, -0.0020141300000000, 0.0013990900000000 ] - [ -0.0005354400000000, 0.0017157500000000, -0.0015354600000000 ] - [ 0.0005942800000000, -0.0005275700000000, 0.0004335100000000 ] - [ 0.0000131000000000, -0.0038486400000000, -0.0022277900000000 ] - [ 0.0029259800000000, 0.0009836500000000, 0.0004426300000000 ] - [ 0.0032454000000000, -0.0004986600000000, 0.0000643100000000 ] - [ 0.0084902800000000, 0.0114224900000000, -0.0030792100000000 ] - [ -0.0006382900000000, -0.0000849600000000, -0.0005645400000000 ] - [ 0.0006923100000000, -0.0005895600000000, 0.0007473600000000 ] - [ 0.0023557000000000, 0.0033315600000000, -0.0006314300000000 ] - [ 0.0020006200000000, -0.0019911300000000, -0.0014595400000000 ] - [ 0.0013267400000000, 0.0008257600000000, 0.0006197800000000 ] - [ -0.0021200500000000, 0.0003650700000000, -0.0004383300000000 ] - [ -0.0671889500000000, -0.0153378300000000, -0.0431341400000000 ] - [ 0.0029811700000000, -0.0001449300000000, 0.0007921000000000 ] - [ 0.0022665400000000, -0.0024073900000000, 0.0000465500000000 ] - [ 0.0026293000000000, 0.0018748100000000, -0.0022434900000000 ] - [ 0.0000809800000000, -0.0007447900000000, -0.0012428200000000 ] - [ 0.0027609300000000, 0.0007302500000000, 0.0025589600000000 ] - [ 0.0021188800000000, -0.0011922800000000, 0.0005207400000000 ] - [ -0.0002584200000000, -0.0002441300000000, -0.0000187300000000 ] - [ -0.0011627100000000, 0.0006376300000000, 0.0001033500000000 ] - [ -0.0019120300000000, -0.0027691500000000, 0.0022059000000000 ] - [ -0.0006318400000000, -0.0015280800000000, -0.0006354000000000 ] - [ -0.0000070500000000, 0.0005592100000000, 0.0006219100000000 ] - [ -0.0009592500000000, -0.0007536800000000, 0.0005613200000000 ] - [ -0.0014641000000000, 0.0027284100000000, -0.0001748200000000 ] - [ 0.0002611600000000, -0.0000495300000000, 0.0003860900000000 ] - [ -0.0003228700000000, 0.0003429900000000, -0.0004269600000000 ] - [ -0.0006389200000000, 0.0004637500000000, 0.0007071200000000 ] - [ -0.0018566600000000, -0.0042792800000000, -0.0024563000000000 ] - [ -0.0007308500000000, 0.0010925300000000, -0.0003368500000000 ] - [ -0.0001117800000000, -0.0008462800000000, 0.0007823800000000 ] - [ -0.0023119800000000, 0.0028945200000000, 0.0013737700000000 ] - [ -0.0040765300000000, -0.0010372900000000, 0.0000985100000000 ] - [ 0.0013225500000000, -0.0002376000000000, 0.0009104200000000 ] - [ -0.0009290200000000, -0.0001390800000000, -0.0008003600000000 ] - [ -0.0027790500000000, -0.0008725800000000, -0.0004105900000000 ] - [ -0.0169658400000000, -0.0164612900000000, -0.0254272200000000 ] - [ -0.0013767600000000, 0.0015535200000000, -0.0001862800000000 ] - [ -0.0003687400000000, -0.0002616200000000, 0.0010832500000000 ] - [ -0.0024053100000000, -0.0023987800000000, -0.0011787700000000 ] - [ -0.0006228000000000, 0.0008177700000000, 0.0006220700000000 ] - [ 0.0000821900000000, 0.0002753000000000, 0.0005590200000000 ] - [ -0.0006214800000000, -0.0006621200000000, -0.0006231700000000 ] - [ 0.0127485900000000, -0.0013400800000000, 0.0136055000000000 ] - [ -0.0008263300000000, 0.0002843600000000, -0.0001201900000000 ] - [ 0.0003996300000000, -0.0000213300000000, -0.0001453700000000 ] - [ -0.0002994800000000, 0.0003369700000000, -0.0006852400000000 ] - [ -0.0004426200000000, 0.0001094900000000, 0.0004459600000000 ] - [ -0.0003120400000000, 0.0012013600000000, -0.0003688900000000 ] - [ -0.0006442000000000, 0.0000282000000000, -0.0005843500000000 ] - [ 0.0005972900000000, 0.0000334700000000, -0.0002829700000000 ] - [ 0.0013822200000000, 0.0004358700000000, 0.0008512500000000 ] - [ -0.0005428700000000, 0.0004784400000000, -0.0004332500000000 ] - [ 0.0104404400000000, 0.0074318400000000, 0.0074555400000000 ] - [ -0.0021498200000000, 0.0005620800000000, -0.0001761700000000 ] - [ 0.0002434200000000, -0.0000591700000000, 0.0001256800000000 ] - [ -0.0000923300000000, 0.0005711700000000, -0.0009501700000000 ] - [ -0.0000291600000000, 0.0006397100000000, 0.0011166300000000 ] - [ -0.0013099800000000, -0.0005865800000000, -0.0001759800000000 ] - [ 0.0627778100000000, 0.0190942200000000, 0.0616174500000000 ] - [ -0.0013470300000000, -0.0000671100000000, 0.0000304600000000 ] - [ 0.0000163700000000, -0.0002171100000000, -0.0009381400000000 ] - [ 0.0010297700000000, -0.0002122700000000, -0.0001456500000000 ] - [ -0.0006805700000000, -0.0006470500000000, -0.0000755300000000 ] - [ 0.0015155100000000, 0.0004389600000000, -0.0000700200000000 ] - [ -0.0008079000000000, -0.0025084600000000, 0.0006932600000000 ] - [ -0.0007181600000000, 0.0003309400000000, -0.0003112600000000 ] - [ -0.0005597800000000, 0.0009626800000000, 0.0001273700000000 ] - [ -0.0012955000000000, -0.0005385700000000, 0.0003518100000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007539900000000, -0.0035553500000000, 0.0014436300000000 ] - [ -0.0001073700000000, -0.0002703600000000, -0.0000093300000000 ] - [ -0.0000871000000000, -0.0014056300000000, 0.0002579200000000 ] - [ -0.0002380100000000, -0.0008211100000000, 0.0002678200000000 ] - [ -0.0003696700000000, 0.0131260000000000, 0.0015740100000000 ] - [ -0.0000547400000000, 0.0002132900000000, -0.0001377400000000 ] - [ 0.0001648400000000, -0.0011758800000000, 0.0004408500000000 ] - [ -0.0003317500000000, -0.0010072200000000, 0.0002631000000000 ] - [ -0.0019096200000000, 0.0017529200000000, 0.0004920800000000 ] - [ 0.0001455800000000, 0.0011962100000000, 0.0000320300000000 ] - [ -0.0000281100000000, -0.0013399200000000, -0.0001227700000000 ] - [ 0.0000562500000000, -0.0008944000000000, -0.0000829900000000 ] - [ -0.0002022400000000, 0.0001161900000000, -0.0004791000000000 ] - [ 0.0007001100000000, -0.0006201500000000, 0.0007991800000000 ] - [ -0.0011232000000000, 0.0035905600000000, -0.0016440300000000 ] - [ 0.0001911000000000, 0.0008522700000000, -0.0002353500000000 ] - [ 0.0001887400000000, -0.0003654300000000, 0.0003352400000000 ] - [ -0.0008165200000000, -0.0016588300000000, -0.0014516600000000 ] - [ -0.0000380900000000, 0.0009043800000000, -0.0004409200000000 ] - [ 0.0004018100000000, 0.0029540200000000, -0.0002052000000000 ] - [ -0.0011151500000000, -0.0010976600000000, -0.0004437000000000 ] - [ 0.0009200900000000, -0.0021897100000000, 0.0022318400000000 ] - [ -0.0003430800000000, -0.0032323200000000, 0.0008816200000000 ] - [ 0.0005583700000000, -0.0008867500000000, 0.0003783100000000 ] - [ 0.0153657300000000, -0.0038947200000000, 0.0014662500000000 ] - [ -0.0009699600000000, -0.0004937200000000, -0.0002611300000000 ] - [ 0.0023116800000000, 0.0009339200000000, 0.0004533600000000 ] - [ -0.0039727900000000, -0.0028347000000000, -0.0002741400000000 ] - [ -0.0018145600000000, -0.0029664500000000, -0.0019440600000000 ] - [ 0.0004540200000000, 0.0001656200000000, 0.0009062300000000 ] - [ -0.0039417300000000, -0.0013447600000000, -0.0016067500000000 ] - [ 0.0034133000000000, -0.0009177500000000, -0.0018788200000000 ] - [ -0.0000722500000000, -0.0013466200000000, 0.0001274800000000 ] - [ 0.0001601400000000, -0.0044516200000000, 0.0003490100000000 ] - [ 0.0183579100000000, 0.1042547600000000, 0.1099314500000000 ] - [ 0.0006182800000000, 0.0023049600000000, 0.0000496300000000 ] - [ 0.0037017800000000, -0.0005865900000000, 0.0024525100000000 ] - [ -0.0019612100000000, -0.0013694400000000, 0.0016551800000000 ] - [ 0.0034214700000000, -0.0013217400000000, -0.0015542400000000 ] - [ -0.0012057400000000, -0.0011915800000000, -0.0013915400000000 ] - [ -0.0000876800000000, 0.0014499600000000, 0.0001145100000000 ] - [ 0.0003195300000000, 0.0002722400000000, 0.0001541000000000 ] - [ -0.0012274700000000, 0.0001489200000000, -0.0000617200000000 ] - [ 0.0022474600000000, 0.0015878900000000, -0.0007189200000000 ] - [ 0.0006868100000000, 0.0008557900000000, 0.0006244800000000 ] - [ -0.0006667700000000, 0.0006357300000000, 0.0003549200000000 ] - [ 0.0013663600000000, 0.0000634000000000, -0.0005401800000000 ] - [ -0.0035367200000000, 0.0021692100000000, -0.0003006200000000 ] - [ 0.0001862800000000, 0.0015065800000000, 0.0003599800000000 ] - [ -0.0000565500000000, 0.0002460600000000, -0.0003778800000000 ] - [ -0.0016494500000000, -0.0002323700000000, -0.0005436500000000 ] - [ 0.0011045800000000, 0.0006922200000000, 0.0009782500000000 ] - [ -0.0008813300000000, 0.0013071300000000, -0.0008021500000000 ] - [ 0.0002257400000000, 0.0012034100000000, -0.0002981800000000 ] - [ -0.0039083700000000, -0.0011791800000000, 0.0000792600000000 ] - [ 0.0018857600000000, 0.0007134800000000, -0.0000959500000000 ] - [ -0.0002035900000000, 0.0004382900000000, -0.0018239900000000 ] - [ 0.0002904900000000, -0.0002400700000000, 0.0005434000000000 ] - [ -0.0018336700000000, -0.0017711400000000, -0.0001669600000000 ] - [ 0.0058312600000000, -0.0061481800000000, 0.0105496700000000 ] - [ -0.0009159800000000, -0.0003018000000000, -0.0004506000000000 ] - [ 0.0003549000000000, -0.0003616700000000, 0.0002422000000000 ] - [ 0.0022112600000000, 0.0001731300000000, 0.0007186000000000 ] - [ -0.0009723100000000, -0.0003071800000000, -0.0000549900000000 ] - [ -0.0008532300000000, 0.0016141200000000, 0.0009056400000000 ] - [ 0.0000636500000000, 0.0008005900000000, 0.0005984500000000 ] - [ 0.0026417700000000, -0.0128353300000000, -0.0145689000000000 ] - [ 0.0000329300000000, -0.0007783800000000, 0.0007553300000000 ] - [ 0.0003146400000000, 0.0016838300000000, 0.0003288800000000 ] - [ -0.0001005600000000, 0.0003876100000000, -0.0005361300000000 ] - [ 0.0008192700000000, 0.0018127300000000, -0.0001549400000000 ] - [ -0.0008205300000000, 0.0017897500000000, -0.0004507900000000 ] - [ -0.0002685100000000, 0.0009665000000000, -0.0001105000000000 ] - [ -0.0003259200000000, 0.0023124200000000, 0.0001425000000000 ] - [ 0.0003364500000000, 0.0018480700000000, 0.0036254100000000 ] - [ 0.0001000000000000, -0.0004151000000000, -0.0000375200000000 ] - [ -0.0102835800000000, 0.0212424100000000, 0.0286296800000000 ] - [ 0.0002157400000000, -0.0008399400000000, 0.0000088500000000 ] - [ 0.0012756200000000, 0.0005657500000000, 0.0009152000000000 ] - [ -0.0006196500000000, -0.0000557400000000, -0.0012355400000000 ] - [ -0.0046670800000000, 0.0027847600000000, 0.0028726400000000 ] - [ 0.0003661300000000, 0.0002811200000000, 0.0003648100000000 ] - [ -0.0194819900000000, -0.1249463100000000, -0.1384680800000000 ] - [ -0.0005488100000000, -0.0009170800000000, 0.0002956600000000 ] - [ 0.0003968900000000, 0.0006563000000000, -0.0007859700000000 ] - [ 0.0004065400000000, 0.0016373000000000, -0.0011597500000000 ] - [ 0.0010283400000000, 0.0009147700000000, 0.0000087900000000 ] - [ 0.0003464000000000, 0.0029327700000000, -0.0008528000000000 ] - [ 0.0030139600000000, 0.0023007700000000, 0.0000701700000000 ] - [ -0.0011745300000000, 0.0002834600000000, -0.0004523900000000 ] - [ -0.0034915900000000, 0.0014991600000000, -0.0021141400000000 ] - [ 0.0008327900000000, 0.0004271600000000, 0.0002966000000000 ]- atom: 83 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004546600000000, 0.0034872900000000, -0.0013147600000000 ] - [ -0.0001825200000000, 0.0002147100000000, 0.0001336300000000 ] - [ -0.0002323000000000, 0.0013311500000000, 0.0003677600000000 ] - [ -0.0000757800000000, 0.0007462700000000, 0.0003603000000000 ] - [ 0.0004253300000000, -0.0141983000000000, -0.0020956700000000 ] - [ 0.0000666200000000, -0.0002817000000000, -0.0001597500000000 ] - [ -0.0005418100000000, 0.0012217600000000, 0.0002159300000000 ] - [ -0.0000508200000000, 0.0010561500000000, 0.0003913900000000 ] - [ 0.0022725400000000, -0.0017216300000000, -0.0011556000000000 ] - [ 0.0002407600000000, -0.0011577000000000, -0.0006882900000000 ] - [ 0.0000306200000000, 0.0012070000000000, -0.0000173500000000 ] - [ -0.0000581900000000, 0.0007611700000000, -0.0000607900000000 ] - [ 0.0004977000000000, -0.0001709800000000, 0.0003583000000000 ] - [ -0.0004059700000000, 0.0005407800000000, -0.0009244900000000 ] - [ 0.0011443800000000, -0.0037488100000000, 0.0018099300000000 ] - [ -0.0001829200000000, -0.0009876300000000, 0.0003918200000000 ] - [ -0.0001948800000000, 0.0002965100000000, -0.0000362000000000 ] - [ 0.0008000300000000, 0.0015926900000000, 0.0017444900000000 ] - [ 0.0003583200000000, -0.0009826900000000, -0.0001848800000000 ] - [ -0.0000991100000000, -0.0030297800000000, -0.0004064600000000 ] - [ 0.0010374100000000, 0.0006674700000000, 0.0003524500000000 ] - [ -0.0010181100000000, 0.0017612700000000, -0.0023381100000000 ] - [ -0.0000117300000000, 0.0032456900000000, -0.0010777300000000 ] - [ -0.0009193100000000, 0.0008922800000000, -0.0005615100000000 ] - [ -0.0152136300000000, 0.0034639100000000, -0.0013581900000000 ] - [ 0.0010675700000000, 0.0000707100000000, 0.0003512400000000 ] - [ -0.0019563700000000, -0.0009240600000000, -0.0002715600000000 ] - [ 0.0043748500000000, 0.0029164900000000, 0.0004166000000000 ] - [ 0.0009946700000000, 0.0026178200000000, 0.0020082100000000 ] - [ -0.0012657700000000, -0.0005067700000000, -0.0008509300000000 ] - [ 0.0036815200000000, 0.0010041200000000, 0.0015268100000000 ] - [ -0.0037173900000000, 0.0005651700000000, 0.0018059300000000 ] - [ -0.0002515100000000, 0.0023386500000000, 0.0000618900000000 ] - [ -0.0004918400000000, 0.0054497200000000, -0.0001662100000000 ] - [ -0.0177384900000000, -0.1040658600000000, -0.1085411100000000 ] - [ -0.0002808600000000, -0.0013201700000000, -0.0002338600000000 ] - [ -0.0028743000000000, 0.0002533600000000, -0.0025032600000000 ] - [ 0.0027735100000000, 0.0010459900000000, -0.0017132700000000 ] - [ -0.0031303400000000, 0.0009883500000000, 0.0016431800000000 ] - [ 0.0015017300000000, 0.0008589000000000, 0.0014973300000000 ] - [ 0.0016218500000000, -0.0024947400000000, 0.0002640500000000 ] - [ 0.0012106000000000, -0.0013136000000000, 0.0002215900000000 ] - [ 0.0008711000000000, 0.0003428800000000, 0.0004416000000000 ] - [ -0.0025947700000000, -0.0011052000000000, 0.0011120400000000 ] - [ -0.0007322700000000, -0.0011703200000000, -0.0009035800000000 ] - [ 0.0006308500000000, -0.0009462200000000, -0.0006339400000000 ] - [ -0.0010630300000000, -0.0002011500000000, 0.0000783600000000 ] - [ 0.0038814300000000, -0.0023210800000000, -0.0001651600000000 ] - [ 0.0001714100000000, -0.0010083600000000, -0.0007380200000000 ] - [ 0.0004061100000000, 0.0002497500000000, -0.0000004900000000 ] - [ 0.0013830800000000, -0.0001565200000000, 0.0004007500000000 ] - [ -0.0013768200000000, -0.0011059000000000, -0.0011297700000000 ] - [ 0.0005593600000000, -0.0008659800000000, 0.0007103700000000 ] - [ -0.0005408900000000, -0.0007704300000000, 0.0002126300000000 ] - [ 0.0039220400000000, 0.0023400200000000, -0.0001850500000000 ] - [ -0.0018907000000000, 0.0004535900000000, -0.0000076100000000 ] - [ 0.0002498300000000, -0.0007476100000000, 0.0020811900000000 ] - [ -0.0002534600000000, -0.0000737700000000, -0.0002726400000000 ] - [ 0.0002973100000000, 0.0007291200000000, -0.0002104800000000 ] - [ -0.0073918600000000, 0.0049454200000000, -0.0109193400000000 ] - [ 0.0007852800000000, 0.0006136200000000, 0.0011482900000000 ] - [ -0.0004813200000000, 0.0006672300000000, 0.0004556000000000 ] - [ -0.0020133100000000, -0.0000591500000000, -0.0011652600000000 ] - [ 0.0011818200000000, 0.0004300200000000, -0.0004003800000000 ] - [ 0.0006449600000000, -0.0015055500000000, -0.0004615600000000 ] - [ -0.0002716500000000, -0.0006964100000000, -0.0001614900000000 ] - [ -0.0024275700000000, 0.0130609100000000, 0.0151821200000000 ] - [ 0.0001917400000000, 0.0010016500000000, 0.0000175200000000 ] - [ -0.0001863500000000, -0.0013686700000000, -0.0010395600000000 ] - [ 0.0002277500000000, -0.0000722300000000, -0.0001665500000000 ] - [ -0.0008423500000000, -0.0006383400000000, 0.0002635800000000 ] - [ 0.0008088100000000, -0.0006148400000000, 0.0005598000000000 ] - [ 0.0000383800000000, -0.0007461300000000, -0.0006660600000000 ] - [ 0.0001024200000000, -0.0020944600000000, -0.0009197000000000 ] - [ -0.0000062700000000, -0.0014026300000000, -0.0035590400000000 ] - [ 0.0002149800000000, 0.0008594700000000, 0.0001253200000000 ] - [ 0.0096334100000000, -0.0210396400000000, -0.0279998900000000 ] - [ -0.0006986800000000, 0.0005794100000000, 0.0000622700000000 ] - [ -0.0009511200000000, -0.0004661500000000, -0.0013589100000000 ] - [ 0.0009479500000000, 0.0001591100000000, 0.0007998100000000 ] - [ 0.0043358700000000, -0.0029062700000000, -0.0023962200000000 ] - [ -0.0006838700000000, -0.0004243400000000, 0.0000972800000000 ] - [ 0.0183708400000000, 0.1262213900000000, 0.1378602900000000 ] - [ -0.0003607300000000, 0.0005943400000000, 0.0008275200000000 ] - [ 0.0005067100000000, -0.0009817700000000, -0.0003422100000000 ] - [ 0.0005020600000000, -0.0019650300000000, 0.0000399900000000 ] - [ -0.0005578800000000, -0.0011802000000000, -0.0000806000000000 ] - [ 0.0001351500000000, -0.0032045000000000, 0.0007894000000000 ] - [ -0.0027750500000000, -0.0027024100000000, 0.0000697000000000 ] - [ 0.0014420700000000, -0.0006658500000000, 0.0005892400000000 ] - [ 0.0031562700000000, -0.0013990000000000, 0.0025501300000000 ] - [ -0.0011597500000000, -0.0003327800000000, 0.0001458800000000 ]- atom: 83 displacement: [ -0.0042398732286563, 0.0000000000000000, 0.0090566812356914 ] forces: - [ -0.0004516200000000, 0.0015620700000000, 0.0018612200000000 ] - [ -0.0002431600000000, -0.0001166500000000, -0.0000657300000000 ] - [ 0.0001490500000000, -0.0003479900000000, 0.0003517400000000 ] - [ -0.0003612300000000, -0.0002309900000000, 0.0002232400000000 ] - [ -0.0008956400000000, 0.0008079400000000, 0.0023673900000000 ] - [ -0.0001290000000000, 0.0000502900000000, -0.0002801800000000 ] - [ -0.0000315700000000, -0.0002586600000000, 0.0002890500000000 ] - [ -0.0002844200000000, -0.0002380500000000, 0.0004765200000000 ] - [ 0.0041389800000000, 0.0017035300000000, -0.0001993200000000 ] - [ -0.0001445200000000, 0.0004741500000000, 0.0000591800000000 ] - [ -0.0001647500000000, -0.0003638300000000, -0.0000138000000000 ] - [ 0.0000455100000000, -0.0002487200000000, -0.0001835500000000 ] - [ -0.0002579600000000, -0.0001149500000000, -0.0003553900000000 ] - [ 0.0000077200000000, 0.0033008000000000, -0.0014102800000000 ] - [ 0.0011591000000000, -0.0004643000000000, 0.0042524800000000 ] - [ -0.0006531200000000, -0.0000073100000000, -0.0009993500000000 ] - [ -0.0002351900000000, 0.0000051500000000, 0.0000019000000000 ] - [ -0.0001981000000000, -0.0014464600000000, -0.0011735200000000 ] - [ -0.0004150100000000, 0.0001792700000000, -0.0004706000000000 ] - [ 0.0065170500000000, 0.0001266600000000, -0.0084814300000000 ] - [ -0.0002884200000000, -0.0007917600000000, -0.0006903700000000 ] - [ -0.0005662400000000, -0.0007141000000000, 0.0022224300000000 ] - [ 0.0001744900000000, -0.0004232400000000, 0.0000478300000000 ] - [ -0.0001075400000000, -0.0000834600000000, 0.0002106200000000 ] - [ 0.0106547300000000, -0.0053956900000000, 0.0013922800000000 ] - [ -0.0006859800000000, -0.0005905700000000, 0.0001671100000000 ] - [ 0.0027988500000000, -0.0007649300000000, -0.0003769500000000 ] - [ -0.0033502500000000, -0.0043917600000000, 0.0037174800000000 ] - [ -0.0002148200000000, -0.0041834100000000, -0.0032803700000000 ] - [ -0.0012299000000000, 0.0003184900000000, -0.0003181900000000 ] - [ -0.0007907200000000, -0.0019527200000000, 0.0013260900000000 ] - [ 0.0023714400000000, -0.0004765000000000, -0.0015662300000000 ] - [ -0.0004910800000000, -0.0000263400000000, -0.0001115100000000 ] - [ 0.0004276900000000, -0.0003347300000000, 0.0005721900000000 ] - [ 0.0112620000000000, 0.0949015200000000, 0.3210366300000000 ] - [ -0.0000010900000000, 0.0011083600000000, -0.0004807800000000 ] - [ 0.0008385700000000, 0.0011490900000000, 0.0026767200000000 ] - [ 0.0016279600000000, -0.0001385900000000, -0.0006587600000000 ] - [ 0.0015175700000000, 0.0031396200000000, -0.0052287700000000 ] - [ -0.0012709600000000, -0.0007473900000000, -0.0010827400000000 ] - [ 0.0002297300000000, 0.0000209000000000, 0.0001355700000000 ] - [ 0.0009248500000000, -0.0004220700000000, 0.0002062800000000 ] - [ -0.0006393100000000, 0.0004879000000000, -0.0004478000000000 ] - [ -0.0010117300000000, 0.0001176900000000, -0.0015919000000000 ] - [ 0.0001876200000000, 0.0005066500000000, -0.0001603400000000 ] - [ -0.0004585500000000, -0.0000055600000000, 0.0003984600000000 ] - [ 0.0004968400000000, 0.0001194600000000, -0.0006024600000000 ] - [ -0.0018190300000000, 0.0017103500000000, -0.0011311000000000 ] - [ -0.0013766800000000, 0.0009066100000000, 0.0015597800000000 ] - [ 0.0005283200000000, 0.0000778000000000, -0.0003775300000000 ] - [ -0.0004752100000000, -0.0001909300000000, 0.0015665600000000 ] - [ 0.0012569900000000, 0.0010414300000000, 0.0006152200000000 ] - [ -0.0002810600000000, 0.0001195800000000, -0.0005929200000000 ] - [ -0.0003830700000000, 0.0005304600000000, 0.0000638300000000 ] - [ -0.0041448500000000, 0.0016432400000000, -0.0000838000000000 ] - [ 0.0017285300000000, 0.0012578500000000, -0.0004813400000000 ] - [ -0.0006937300000000, -0.0049437400000000, 0.0053158500000000 ] - [ 0.0004518900000000, -0.0001314200000000, 0.0005003800000000 ] - [ -0.0012968900000000, -0.0008758000000000, 0.0001585000000000 ] - [ 0.0081301400000000, 0.0045316700000000, -0.0054437400000000 ] - [ 0.0009331600000000, -0.0011425400000000, -0.0003283600000000 ] - [ -0.0006804000000000, 0.0004234400000000, 0.0015406400000000 ] - [ 0.0018273600000000, 0.0012345600000000, -0.0006050800000000 ] - [ -0.0010622200000000, -0.0003174700000000, 0.0016174700000000 ] - [ -0.0002168800000000, -0.0008997600000000, 0.0010337100000000 ] - [ 0.0001111000000000, 0.0004345800000000, 0.0005776900000000 ] - [ 0.0012641000000000, 0.0015680400000000, 0.0400339200000000 ] - [ 0.0002900300000000, -0.0001877200000000, 0.0007700400000000 ] - [ 0.0001495900000000, 0.0013704800000000, 0.0001620900000000 ] - [ 0.0001813500000000, 0.0000587700000000, -0.0001604500000000 ] - [ -0.0001377100000000, 0.0009401500000000, 0.0000949600000000 ] - [ -0.0000922400000000, 0.0010120700000000, -0.0004737600000000 ] - [ -0.0000585300000000, 0.0003448700000000, -0.0002157600000000 ] - [ -0.0001942300000000, 0.0005556000000000, -0.0006456000000000 ] - [ -0.0012172300000000, 0.0043708300000000, 0.0065558100000000 ] - [ 0.0005637000000000, -0.0000580900000000, 0.0002298900000000 ] - [ -0.0012963800000000, 0.0178758600000000, 0.0065806300000000 ] - [ 0.0001932700000000, -0.0003513800000000, 0.0000859000000000 ] - [ 0.0008654100000000, 0.0008513600000000, 0.0011725300000000 ] - [ 0.0009238700000000, -0.0006217900000000, -0.0006021100000000 ] - [ -0.0038728000000000, 0.0009931700000000, 0.0039192800000000 ] - [ 0.0004514800000000, 0.0001175100000000, 0.0002208200000000 ] - [ -0.0298539200000000, -0.1205645000000000, -0.3728927000000000 ] - [ -0.0003507800000000, -0.0003625700000000, 0.0007157100000000 ] - [ 0.0006049300000000, 0.0000161700000000, -0.0004715700000000 ] - [ 0.0003222500000000, 0.0003620100000000, -0.0007969300000000 ] - [ 0.0006803400000000, 0.0003161300000000, 0.0001072600000000 ] - [ 0.0003891500000000, 0.0000364800000000, -0.0007258600000000 ] - [ 0.0001810800000000, 0.0000754800000000, -0.0009658500000000 ] - [ -0.0003810200000000, -0.0001998900000000, 0.0000852600000000 ] - [ -0.0018719600000000, 0.0009329100000000, -0.0023136600000000 ] - [ -0.0002291000000000, 0.0003393900000000, 0.0002622900000000 ]- atom: 83 displacement: [ 0.0042398732286563, 0.0000000000000000, -0.0090566812356914 ] forces: - [ 0.0001617100000000, -0.0016102600000000, -0.0017458200000000 ] - [ -0.0000500600000000, 0.0000604100000000, 0.0001899100000000 ] - [ -0.0004664000000000, 0.0002726100000000, 0.0002737500000000 ] - [ 0.0000450500000000, 0.0001549000000000, 0.0004041100000000 ] - [ 0.0008935900000000, -0.0008956400000000, -0.0026660800000000 ] - [ 0.0001365400000000, -0.0001178900000000, -0.0000182200000000 ] - [ -0.0003488500000000, 0.0003049300000000, 0.0003686600000000 ] - [ -0.0000964100000000, 0.0002862300000000, 0.0001773700000000 ] - [ -0.0037588500000000, -0.0016564200000000, -0.0004212100000000 ] - [ 0.0005323700000000, -0.0004333900000000, -0.0007174400000000 ] - [ 0.0001697000000000, 0.0002302200000000, -0.0001279000000000 ] - [ -0.0000467700000000, 0.0001167100000000, 0.0000434300000000 ] - [ 0.0005533000000000, 0.0000610100000000, 0.0002315500000000 ] - [ 0.0002768300000000, -0.0033327300000000, 0.0012932400000000 ] - [ -0.0013409800000000, 0.0003630600000000, -0.0043176000000000 ] - [ 0.0006424200000000, -0.0001309100000000, 0.0011464400000000 ] - [ 0.0002287100000000, -0.0000737900000000, 0.0002955400000000 ] - [ 0.0001848500000000, 0.0013771600000000, 0.0014746100000000 ] - [ 0.0007320600000000, -0.0002556500000000, -0.0001563200000000 ] - [ -0.0061855100000000, -0.0002097100000000, 0.0078322400000000 ] - [ 0.0002062000000000, 0.0003633400000000, 0.0006106600000000 ] - [ 0.0004862600000000, 0.0002792300000000, -0.0023082000000000 ] - [ -0.0005326900000000, 0.0004268000000000, -0.0002084200000000 ] - [ -0.0002497000000000, 0.0000928600000000, -0.0003957600000000 ] - [ -0.0105725600000000, 0.0049791500000000, -0.0012915000000000 ] - [ 0.0007791900000000, 0.0001668200000000, -0.0000810000000000 ] - [ -0.0024463000000000, 0.0007745700000000, 0.0005657200000000 ] - [ 0.0037692400000000, 0.0044670600000000, -0.0035737800000000 ] - [ -0.0005864000000000, 0.0038797700000000, 0.0033502200000000 ] - [ 0.0004124100000000, -0.0006545500000000, 0.0003747000000000 ] - [ 0.0004950900000000, 0.0016067800000000, -0.0014236100000000 ] - [ -0.0026425400000000, 0.0001631500000000, 0.0014394400000000 ] - [ 0.0001624400000000, 0.0010184100000000, 0.0002989300000000 ] - [ -0.0007602200000000, 0.0013196800000000, -0.0003829000000000 ] - [ -0.0070981700000000, -0.0875881500000000, -0.3071739900000000 ] - [ 0.0003361000000000, -0.0001221200000000, 0.0002935500000000 ] - [ -0.0000313300000000, -0.0014782000000000, -0.0027340800000000 ] - [ -0.0008086900000000, -0.0002077500000000, 0.0005755000000000 ] - [ -0.0012344500000000, -0.0034956600000000, 0.0053443500000000 ] - [ 0.0015658400000000, 0.0004118700000000, 0.0011896100000000 ] - [ 0.0013046400000000, -0.0010615800000000, 0.0002371800000000 ] - [ 0.0006087400000000, -0.0006204900000000, 0.0001699400000000 ] - [ 0.0002866600000000, 0.0000090400000000, 0.0008224900000000 ] - [ 0.0006513900000000, 0.0003723100000000, 0.0019938600000000 ] - [ -0.0002267000000000, -0.0008104500000000, -0.0001083800000000 ] - [ 0.0004169800000000, -0.0003094100000000, -0.0006641300000000 ] - [ -0.0001830200000000, -0.0002569600000000, 0.0001341000000000 ] - [ 0.0021107500000000, -0.0018464700000000, 0.0006870200000000 ] - [ 0.0017309800000000, -0.0004236200000000, -0.0019529000000000 ] - [ -0.0001751600000000, 0.0004187600000000, 0.0000005500000000 ] - [ 0.0002088500000000, -0.0001925100000000, -0.0017167900000000 ] - [ -0.0015301100000000, -0.0014503100000000, -0.0007647600000000 ] - [ -0.0000371600000000, 0.0003150100000000, 0.0005053500000000 ] - [ 0.0000646200000000, -0.0000922200000000, -0.0001464900000000 ] - [ 0.0041699000000000, -0.0004748700000000, -0.0000347700000000 ] - [ -0.0017291700000000, -0.0000903600000000, 0.0003835700000000 ] - [ 0.0007276600000000, 0.0046757000000000, -0.0050725200000000 ] - [ -0.0004123300000000, -0.0001756100000000, -0.0002326400000000 ] - [ -0.0002380200000000, -0.0001644800000000, -0.0005363800000000 ] - [ -0.0097508800000000, -0.0056350300000000, 0.0048719700000000 ] - [ -0.0010605100000000, 0.0014582000000000, 0.0010354100000000 ] - [ 0.0005595500000000, -0.0000886200000000, -0.0008271000000000 ] - [ -0.0016203100000000, -0.0011227800000000, 0.0001728000000000 ] - [ 0.0012776200000000, 0.0004043100000000, -0.0020381000000000 ] - [ 0.0000089400000000, 0.0010142600000000, -0.0005951600000000 ] - [ -0.0003178600000000, -0.0003321100000000, -0.0001411600000000 ] - [ -0.0010068700000000, -0.0014189600000000, -0.0382879700000000 ] - [ -0.0000637600000000, 0.0004129100000000, 0.0000010200000000 ] - [ -0.0000247200000000, -0.0010608500000000, -0.0008625600000000 ] - [ -0.0000515300000000, 0.0002600200000000, -0.0005439100000000 ] - [ 0.0001197500000000, 0.0002336100000000, 0.0000034200000000 ] - [ 0.0000722900000000, 0.0001617900000000, 0.0005789900000000 ] - [ -0.0001709100000000, -0.0001210300000000, -0.0005560500000000 ] - [ -0.0000330600000000, -0.0003316200000000, -0.0001257200000000 ] - [ 0.0015264000000000, -0.0039747300000000, -0.0065101300000000 ] - [ -0.0002444800000000, 0.0004955100000000, -0.0001433800000000 ] - [ 0.0008991400000000, -0.0179250200000000, -0.0064973200000000 ] - [ -0.0006713700000000, 0.0000903300000000, -0.0000130600000000 ] - [ -0.0005489600000000, -0.0007597700000000, -0.0016252900000000 ] - [ -0.0005915800000000, 0.0007194900000000, 0.0001595900000000 ] - [ 0.0035752700000000, -0.0011335200000000, -0.0034695100000000 ] - [ -0.0007678600000000, -0.0002590400000000, 0.0002447500000000 ] - [ 0.0252331700000000, 0.1137522200000000, 0.3594369500000000 ] - [ -0.0005556700000000, 0.0000402700000000, 0.0004130400000000 ] - [ 0.0002997100000000, -0.0003402300000000, -0.0006580100000000 ] - [ 0.0005858700000000, -0.0006857100000000, -0.0003320200000000 ] - [ -0.0002099600000000, -0.0005809100000000, -0.0001801400000000 ] - [ 0.0000847600000000, -0.0002950400000000, 0.0006517100000000 ] - [ 0.0000914300000000, -0.0004456700000000, 0.0011013900000000 ] - [ 0.0006418700000000, -0.0001896700000000, 0.0000635600000000 ] - [ 0.0015480900000000, -0.0008363000000000, 0.0027505300000000 ] - [ -0.0000961100000000, -0.0002417000000000, 0.0001874900000000 ]