# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f63ab0d1-b8f6-4953-958c-06b5cd40c6f4/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 TeHO3 / Pc (7) / materials id 625856](https://mdr.nims.go.jp/datasets/99d0dc10-3609-465a-a10d-6be04be89c6c) ## 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: "Pc" number: 7 Hall_symbol: "P -2yc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.816216500000000, 0.000000000000000, 0.020977800000000 ] # a - [ 0.000000000000000, 11.545931160000000, 0.000000000000000 ] # b - [ -4.769780220000000, 0.000000000000000, 8.119246900000000 ] # c points: - symbol: Te # 1 coordinates: [ 0.567098450000000, 0.364727390000000, 0.544015980000000 ] mass: 127.600000 - symbol: Te # 2 coordinates: [ 0.967533980000000, 0.138101560000000, 0.443523660000000 ] mass: 127.600000 - symbol: Te # 3 coordinates: [ 0.567098450000000, 0.635272610000000, 0.044015980000000 ] mass: 127.600000 - symbol: Te # 4 coordinates: [ 0.967533980000000, 0.861898440000000, 0.943523660000000 ] mass: 127.600000 - symbol: Te # 5 coordinates: [ 0.802528740000000, 0.650323090000000, 0.660743070000000 ] mass: 127.600000 - symbol: Te # 6 coordinates: [ 0.975755790000000, 0.847247240000000, 0.331367860000000 ] mass: 127.600000 - symbol: Te # 7 coordinates: [ 0.802528740000000, 0.349676910000000, 0.160743070000000 ] mass: 127.600000 - symbol: Te # 8 coordinates: [ 0.975755790000000, 0.152752760000000, 0.831367860000000 ] mass: 127.600000 - symbol: H # 9 coordinates: [ 0.545457900000000, 0.449343730000000, 0.791429430000000 ] mass: 1.007940 - symbol: H # 10 coordinates: [ 0.443201880000000, 0.041150570000000, 0.361052800000000 ] mass: 1.007940 - symbol: H # 11 coordinates: [ 0.545457900000000, 0.550656270000000, 0.291429430000000 ] mass: 1.007940 - symbol: H # 12 coordinates: [ 0.443201880000000, 0.958849430000000, 0.861052800000000 ] mass: 1.007940 - symbol: H # 13 coordinates: [ 0.050985810000000, 0.614833470000000, 0.497342030000000 ] mass: 1.007940 - symbol: H # 14 coordinates: [ 0.542756230000000, 0.869728630000000, 0.531760390000000 ] mass: 1.007940 - symbol: H # 15 coordinates: [ 0.050985810000000, 0.385166530000000, 0.997342030000000 ] mass: 1.007940 - symbol: H # 16 coordinates: [ 0.542756230000000, 0.130271370000000, 0.031760390000000 ] mass: 1.007940 - symbol: O # 17 coordinates: [ 0.951838640000000, 0.313706080000000, 0.737242760000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.962433210000000, 0.188128300000000, 0.248442540000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.951838640000000, 0.686293920000000, 0.237242760000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.962433210000000, 0.811871700000000, 0.748442540000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.367523010000000, 0.226732360000000, 0.583523200000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.688548270000000, 0.276032000000000, 0.404676230000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.367523010000000, 0.773267640000000, 0.083523200000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.688548270000000, 0.723968000000000, 0.904676230000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.452257090000000, 0.465304300000000, 0.671853830000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.593389280000000, 0.044368540000000, 0.314763750000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.452257090000000, 0.534695700000000, 0.171853830000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.593389280000000, 0.955631460000000, 0.814763750000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.973074400000000, 0.085099490000000, 0.641491850000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.168760250000000, 0.417163830000000, 0.352385630000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.973074400000000, 0.914900510000000, 0.141491850000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.168760250000000, 0.582836170000000, 0.852385630000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.044969680000000, 0.688405020000000, 0.549988800000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.434583700000000, 0.808743120000000, 0.446803850000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.044969680000000, 0.311594980000000, 0.049988800000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.434583700000000, 0.191256880000000, 0.946803850000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.756499950000000, 0.499724660000000, 0.511509090000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.219395760000000, 0.009152420000000, 0.446621220000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.756499950000000, 0.500275340000000, 0.011509090000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.219395760000000, 0.990847580000000, 0.946621220000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.207101929382159, 0.000000000000000, 0.121665309413224 ] # a* - [ 0.000000000000000, 0.086610597806474, 0.000000000000000 ] # b* - [ -0.000535091851215, 0.000000000000000, 0.122849784192693 ] # c*unit_cell: lattice: - [ 4.816216500000000, 0.000000000000000, 0.020977800000000 ] # a - [ 0.000000000000000, 11.545931160000000, 0.000000000000000 ] # b - [ -4.769780220000000, 0.000000000000000, 8.119246900000000 ] # c points: - symbol: Te # 1 coordinates: [ 0.567098450000000, 0.364727390000000, 0.544015980000000 ] mass: 127.600000 reduced_to: 1 - symbol: Te # 2 coordinates: [ 0.967533980000000, 0.138101560000000, 0.443523660000000 ] mass: 127.600000 reduced_to: 2 - symbol: Te # 3 coordinates: [ 0.567098450000000, 0.635272610000000, 0.044015980000000 ] mass: 127.600000 reduced_to: 3 - symbol: Te # 4 coordinates: [ 0.967533980000000, 0.861898440000000, 0.943523660000000 ] mass: 127.600000 reduced_to: 4 - symbol: Te # 5 coordinates: [ 0.802528740000000, 0.650323090000000, 0.660743070000000 ] mass: 127.600000 reduced_to: 5 - symbol: Te # 6 coordinates: [ 0.975755790000000, 0.847247240000000, 0.331367860000000 ] mass: 127.600000 reduced_to: 6 - symbol: Te # 7 coordinates: [ 0.802528740000000, 0.349676910000000, 0.160743070000000 ] mass: 127.600000 reduced_to: 7 - symbol: Te # 8 coordinates: [ 0.975755790000000, 0.152752760000000, 0.831367860000000 ] mass: 127.600000 reduced_to: 8 - symbol: H # 9 coordinates: [ 0.545457900000000, 0.449343730000000, 0.791429430000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.443201880000000, 0.041150570000000, 0.361052800000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.545457900000000, 0.550656270000000, 0.291429430000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.443201880000000, 0.958849430000000, 0.861052800000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.050985810000000, 0.614833470000000, 0.497342030000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.542756230000000, 0.869728630000000, 0.531760390000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.050985810000000, 0.385166530000000, 0.997342030000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.542756230000000, 0.130271370000000, 0.031760390000000 ] mass: 1.007940 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.951838640000000, 0.313706080000000, 0.737242760000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.962433210000000, 0.188128300000000, 0.248442540000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.951838640000000, 0.686293920000000, 0.237242760000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.962433210000000, 0.811871700000000, 0.748442540000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.367523010000000, 0.226732360000000, 0.583523200000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.688548270000000, 0.276032000000000, 0.404676230000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.367523010000000, 0.773267640000000, 0.083523200000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.688548270000000, 0.723968000000000, 0.904676230000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.452257090000000, 0.465304300000000, 0.671853830000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.593389280000000, 0.044368540000000, 0.314763750000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.452257090000000, 0.534695700000000, 0.171853830000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.593389280000000, 0.955631460000000, 0.814763750000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.973074400000000, 0.085099490000000, 0.641491850000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.168760250000000, 0.417163830000000, 0.352385630000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.973074400000000, 0.914900510000000, 0.141491850000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.168760250000000, 0.582836170000000, 0.852385630000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.044969680000000, 0.688405020000000, 0.549988800000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.434583700000000, 0.808743120000000, 0.446803850000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.044969680000000, 0.311594980000000, 0.049988800000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.434583700000000, 0.191256880000000, 0.946803850000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.756499950000000, 0.499724660000000, 0.511509090000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.219395760000000, 0.009152420000000, 0.446621220000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.756499950000000, 0.500275340000000, 0.011509090000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.219395760000000, 0.990847580000000, 0.946621220000000 ] mass: 15.999400 reduced_to: 40supercell: lattice: - [ 9.632433000000001, 0.000000000000000, 0.041955600000000 ] # a - [ 0.000000000000000, 11.545931160000000, 0.000000000000000 ] # b - [ -4.769780220000000, 0.000000000000000, 8.119246900000000 ] # c points: - symbol: Te # 1 coordinates: [ 0.283549225000000, 0.364727390000000, 0.544015980000000 ] mass: 127.600000 reduced_to: 1 - symbol: Te # 2 coordinates: [ 0.783549225000000, 0.364727390000000, 0.544015980000000 ] mass: 127.600000 reduced_to: 1 - symbol: Te # 3 coordinates: [ 0.483766990000000, 0.138101560000000, 0.443523660000000 ] mass: 127.600000 reduced_to: 3 - symbol: Te # 4 coordinates: [ 0.983766990000000, 0.138101560000000, 0.443523660000000 ] mass: 127.600000 reduced_to: 3 - symbol: Te # 5 coordinates: [ 0.283549225000000, 0.635272610000000, 0.044015980000000 ] mass: 127.600000 reduced_to: 5 - symbol: Te # 6 coordinates: [ 0.783549225000000, 0.635272610000000, 0.044015980000000 ] mass: 127.600000 reduced_to: 5 - symbol: Te # 7 coordinates: [ 0.483766990000000, 0.861898440000000, 0.943523660000000 ] mass: 127.600000 reduced_to: 7 - symbol: Te # 8 coordinates: [ 0.983766990000000, 0.861898440000000, 0.943523660000000 ] mass: 127.600000 reduced_to: 7 - symbol: Te # 9 coordinates: [ 0.401264370000000, 0.650323090000000, 0.660743070000000 ] mass: 127.600000 reduced_to: 9 - symbol: Te # 10 coordinates: [ 0.901264370000000, 0.650323090000000, 0.660743070000000 ] mass: 127.600000 reduced_to: 9 - symbol: Te # 11 coordinates: [ 0.487877895000000, 0.847247240000000, 0.331367860000000 ] mass: 127.600000 reduced_to: 11 - symbol: Te # 12 coordinates: [ 0.987877895000000, 0.847247240000000, 0.331367860000000 ] mass: 127.600000 reduced_to: 11 - symbol: Te # 13 coordinates: [ 0.401264370000000, 0.349676910000000, 0.160743070000000 ] mass: 127.600000 reduced_to: 13 - symbol: Te # 14 coordinates: [ 0.901264370000000, 0.349676910000000, 0.160743070000000 ] mass: 127.600000 reduced_to: 13 - symbol: Te # 15 coordinates: [ 0.487877895000000, 0.152752760000000, 0.831367860000000 ] mass: 127.600000 reduced_to: 15 - symbol: Te # 16 coordinates: [ 0.987877895000000, 0.152752760000000, 0.831367860000000 ] mass: 127.600000 reduced_to: 15 - symbol: H # 17 coordinates: [ 0.272728950000000, 0.449343730000000, 0.791429430000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.772728950000000, 0.449343730000000, 0.791429430000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 19 coordinates: [ 0.221600940000000, 0.041150570000000, 0.361052800000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.721600940000000, 0.041150570000000, 0.361052800000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 21 coordinates: [ 0.272728950000000, 0.550656270000000, 0.291429430000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.772728950000000, 0.550656270000000, 0.291429430000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 23 coordinates: [ 0.221600940000000, 0.958849430000000, 0.861052800000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.721600940000000, 0.958849430000000, 0.861052800000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 25 coordinates: [ 0.025492905000000, 0.614833470000000, 0.497342030000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.525492905000000, 0.614833470000000, 0.497342030000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 27 coordinates: [ 0.271378115000000, 0.869728630000000, 0.531760390000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.771378115000000, 0.869728630000000, 0.531760390000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 29 coordinates: [ 0.025492905000000, 0.385166530000000, 0.997342030000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.525492905000000, 0.385166530000000, 0.997342030000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 31 coordinates: [ 0.271378115000000, 0.130271370000000, 0.031760390000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.771378115000000, 0.130271370000000, 0.031760390000000 ] mass: 1.007940 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.475919320000000, 0.313706080000000, 0.737242760000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.975919320000000, 0.313706080000000, 0.737242760000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.481216605000000, 0.188128300000000, 0.248442540000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.981216605000000, 0.188128300000000, 0.248442540000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.475919320000000, 0.686293920000000, 0.237242760000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.975919320000000, 0.686293920000000, 0.237242760000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.481216605000000, 0.811871700000000, 0.748442540000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.981216605000000, 0.811871700000000, 0.748442540000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.183761505000000, 0.226732360000000, 0.583523200000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.683761505000000, 0.226732360000000, 0.583523200000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.344274135000000, 0.276032000000000, 0.404676230000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.844274135000000, 0.276032000000000, 0.404676230000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.183761505000000, 0.773267640000000, 0.083523200000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.683761505000000, 0.773267640000000, 0.083523200000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.344274135000000, 0.723968000000000, 0.904676230000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.844274135000000, 0.723968000000000, 0.904676230000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.226128545000000, 0.465304300000000, 0.671853830000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.726128545000000, 0.465304300000000, 0.671853830000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.296694640000000, 0.044368540000000, 0.314763750000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.796694640000000, 0.044368540000000, 0.314763750000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.226128545000000, 0.534695700000000, 0.171853830000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.726128545000000, 0.534695700000000, 0.171853830000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.296694640000000, 0.955631460000000, 0.814763750000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.796694640000000, 0.955631460000000, 0.814763750000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.486537200000000, 0.085099490000000, 0.641491850000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.986537200000000, 0.085099490000000, 0.641491850000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.084380125000000, 0.417163830000000, 0.352385630000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.584380125000000, 0.417163830000000, 0.352385630000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.486537200000000, 0.914900510000000, 0.141491850000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.986537200000000, 0.914900510000000, 0.141491850000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.084380125000000, 0.582836170000000, 0.852385630000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.584380125000000, 0.582836170000000, 0.852385630000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.022484840000000, 0.688405020000000, 0.549988800000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.522484840000000, 0.688405020000000, 0.549988800000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.217291850000000, 0.808743120000000, 0.446803850000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.717291850000000, 0.808743120000000, 0.446803850000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.022484840000000, 0.311594980000000, 0.049988800000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.522484840000000, 0.311594980000000, 0.049988800000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.217291850000000, 0.191256880000000, 0.946803850000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.717291850000000, 0.191256880000000, 0.946803850000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.378249975000000, 0.499724660000000, 0.511509090000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.878249975000000, 0.499724660000000, 0.511509090000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.109697880000000, 0.009152420000000, 0.446621220000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.609697880000000, 0.009152420000000, 0.446621220000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.378249975000000, 0.500275340000000, 0.011509090000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.878249975000000, 0.500275340000000, 0.011509090000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.109697880000000, 0.990847580000000, 0.946621220000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.609697880000000, 0.990847580000000, 0.946621220000000 ] mass: 15.999400 reduced_to: 79displacements:- atom: 1 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ -0.3658882500000000, 0.0097695700000000, -0.0086141400000000 ] - [ 0.0273138200000000, 0.0003761500000000, -0.0021810800000000 ] - [ 0.0328656600000000, -0.0356289700000000, -0.0006049500000000 ] - [ 0.0318398200000000, 0.0320346100000000, 0.0182673900000000 ] - [ -0.0008656400000000, -0.0018129800000000, -0.0050188600000000 ] - [ 0.0064505100000000, -0.0055392100000000, 0.0060767200000000 ] - [ -0.0033478000000000, -0.0043610600000000, 0.0033095600000000 ] - [ 0.0000802500000000, -0.0003465200000000, 0.0005494100000000 ] - [ -0.0130754000000000, 0.0188200100000000, 0.0183281400000000 ] - [ 0.0057764400000000, -0.0024667500000000, -0.0024556300000000 ] - [ 0.0018094000000000, -0.0029192200000000, -0.0016715800000000 ] - [ -0.0016943300000000, 0.0042273800000000, 0.0030051000000000 ] - [ 0.0086855000000000, 0.0091221800000000, -0.0180243000000000 ] - [ 0.0187325900000000, 0.0080027800000000, 0.0392378000000000 ] - [ -0.0096444000000000, -0.0226093400000000, 0.0100842900000000 ] - [ 0.0026880300000000, 0.0028187900000000, -0.0034574600000000 ] - [ 0.0052508500000000, -0.0044315600000000, -0.0106333400000000 ] - [ 0.0009559600000000, 0.0005655700000000, 0.0023548100000000 ] - [ -0.0051866100000000, -0.0007777600000000, 0.0014959400000000 ] - [ 0.0035148400000000, 0.0001289700000000, -0.0005916500000000 ] - [ -0.0010399300000000, 0.0020351900000000, -0.0098445300000000 ] - [ 0.0007314300000000, 0.0000433100000000, 0.0002822600000000 ] - [ -0.0004664100000000, 0.0004425800000000, 0.0000832800000000 ] - [ 0.0028933600000000, -0.0002049400000000, -0.0002372200000000 ] - [ 0.0012742100000000, -0.0032973900000000, 0.0007122500000000 ] - [ 0.0020473900000000, 0.0035335200000000, 0.0003736500000000 ] - [ -0.0008545400000000, 0.0003416400000000, -0.0005525400000000 ] - [ 0.0006816500000000, 0.0001339500000000, 0.0006979900000000 ] - [ -0.0007290000000000, -0.0013625600000000, 0.0003165700000000 ] - [ -0.0017882800000000, 0.0012568200000000, 0.0018334500000000 ] - [ -0.0006344600000000, -0.0000211100000000, -0.0008603800000000 ] - [ 0.0009986300000000, 0.0003159600000000, 0.0022066700000000 ] - [ 0.0579827100000000, -0.0105847400000000, 0.0502655800000000 ] - [ -0.0057490000000000, -0.0009266000000000, 0.0003560100000000 ] - [ -0.0046058600000000, -0.0010142200000000, 0.0047522300000000 ] - [ -0.0034018400000000, -0.0041493700000000, -0.0079988200000000 ] - [ -0.0000893600000000, 0.0013014600000000, 0.0017600200000000 ] - [ 0.0000953700000000, 0.0007413100000000, -0.0008751700000000 ] - [ -0.0014419700000000, -0.0041784700000000, -0.0025385700000000 ] - [ -0.0005748100000000, 0.0007112500000000, 0.0003700000000000 ] - [ 0.0386614200000000, 0.0239605300000000, -0.0063869000000000 ] - [ -0.0127094500000000, -0.0022840400000000, -0.0034776800000000 ] - [ 0.0432241000000000, -0.0227621100000000, -0.0304265100000000 ] - [ -0.0112354700000000, 0.0015721300000000, 0.0000426700000000 ] - [ 0.0011058400000000, -0.0005655700000000, 0.0003824300000000 ] - [ -0.0020722500000000, 0.0019186100000000, -0.0025032600000000 ] - [ 0.0023742500000000, 0.0008739900000000, -0.0013675900000000 ] - [ -0.0002004400000000, 0.0010413200000000, -0.0003631100000000 ] - [ 0.0697726300000000, -0.0367870300000000, -0.0412831700000000 ] - [ -0.0054290800000000, -0.0015546200000000, -0.0011188100000000 ] - [ 0.0015609900000000, 0.0090575300000000, 0.0027497700000000 ] - [ -0.0041425300000000, -0.0016077800000000, 0.0000067800000000 ] - [ -0.0008675800000000, -0.0006501700000000, 0.0063100200000000 ] - [ -0.0011875900000000, 0.0019714300000000, -0.0023426400000000 ] - [ 0.0018945700000000, 0.0004524400000000, 0.0008147800000000 ] - [ -0.0027255400000000, -0.0000701300000000, 0.0001757300000000 ] - [ 0.0015488500000000, 0.0061632800000000, -0.0044907700000000 ] - [ -0.0053012900000000, -0.0020641000000000, 0.0036267800000000 ] - [ 0.0344361900000000, -0.0191839500000000, 0.0263691400000000 ] - [ -0.0050551200000000, -0.0011956600000000, 0.0007520200000000 ] - [ -0.0000971500000000, 0.0004475400000000, -0.0000655200000000 ] - [ 0.0013560500000000, 0.0001135100000000, -0.0018468800000000 ] - [ 0.0003733700000000, 0.0011764800000000, 0.0028431600000000 ] - [ -0.0031490000000000, -0.0000434900000000, -0.0057287500000000 ] - [ -0.0021820000000000, 0.0010375100000000, 0.0010283100000000 ] - [ 0.0004659300000000, -0.0045592600000000, -0.0011864100000000 ] - [ 0.0023211100000000, -0.0015433300000000, 0.0006119600000000 ] - [ -0.0014602800000000, 0.0004886000000000, -0.0013184900000000 ] - [ 0.0043521100000000, -0.0019957900000000, -0.0052297800000000 ] - [ -0.0014915400000000, -0.0005819600000000, -0.0010560700000000 ] - [ 0.0021633500000000, 0.0000962300000000, 0.0024880100000000 ] - [ -0.0030938300000000, -0.0010201400000000, -0.0070619400000000 ] - [ 0.0749758300000000, 0.0557694700000000, -0.0198995100000000 ] - [ -0.0057483200000000, 0.0026210700000000, 0.0010603700000000 ] - [ 0.0022329300000000, -0.0113793800000000, -0.0044137600000000 ] - [ -0.0021967900000000, 0.0020175100000000, 0.0007680800000000 ] - [ -0.0018338200000000, -0.0014325300000000, 0.0084716400000000 ] - [ -0.0021895400000000, 0.0056900700000000, -0.0056404400000000 ] - [ 0.0012070200000000, -0.0013128900000000, 0.0012725000000000 ] - [ -0.0012485000000000, 0.0060344900000000, -0.0031250700000000 ]- atom: 1 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ 0.3647240000000000, -0.0110694500000000, 0.0078574200000000 ] - [ -0.0284461600000000, -0.0007600300000000, 0.0012019200000000 ] - [ -0.0324721800000000, 0.0368614700000000, 0.0016883300000000 ] - [ -0.0315159600000000, -0.0308686400000000, -0.0170209400000000 ] - [ -0.0002639500000000, 0.0022044300000000, 0.0040709200000000 ] - [ -0.0075891100000000, 0.0058905600000000, -0.0070339700000000 ] - [ 0.0036956200000000, 0.0029152400000000, -0.0020667100000000 ] - [ 0.0002431900000000, -0.0011057000000000, 0.0007125500000000 ] - [ 0.0146410000000000, -0.0173779500000000, -0.0195516300000000 ] - [ -0.0041059400000000, 0.0040425500000000, 0.0013149800000000 ] - [ -0.0030956300000000, 0.0024866500000000, 0.0008169800000000 ] - [ 0.0004379400000000, -0.0046332200000000, -0.0038565900000000 ] - [ -0.0070215800000000, -0.0106812000000000, 0.0167791400000000 ] - [ -0.0171274700000000, -0.0094019200000000, -0.0405956800000000 ] - [ 0.0083065300000000, 0.0230919400000000, -0.0109340000000000 ] - [ -0.0039678800000000, -0.0024739800000000, 0.0026224000000000 ] - [ -0.0059007400000000, 0.0040091100000000, 0.0100994500000000 ] - [ -0.0015211900000000, -0.0011412200000000, -0.0029963600000000 ] - [ 0.0068293000000000, 0.0007252600000000, -0.0015423400000000 ] - [ -0.0018706500000000, -0.0001798000000000, 0.0005418400000000 ] - [ 0.0004546400000000, -0.0014233600000000, 0.0091783800000000 ] - [ -0.0012995000000000, 0.0005491200000000, -0.0009837600000000 ] - [ 0.0021197100000000, -0.0003937600000000, -0.0001338900000000 ] - [ -0.0012488800000000, 0.0002537700000000, 0.0001909500000000 ] - [ -0.0021393800000000, 0.0040308000000000, -0.0005855100000000 ] - [ -0.0029325600000000, -0.0028017700000000, -0.0002419800000000 ] - [ 0.0011646300000000, -0.0001675800000000, 0.0013284100000000 ] - [ -0.0003699300000000, 0.0000392300000000, 0.0000785800000000 ] - [ -0.0001432200000000, 0.0006558600000000, -0.0001717500000000 ] - [ 0.0009268700000000, -0.0019671000000000, -0.0017076000000000 ] - [ 0.0009500300000000, -0.0001537500000000, 0.0016421300000000 ] - [ -0.0006773700000000, -0.0004886100000000, -0.0014281700000000 ] - [ -0.0572350800000000, 0.0096807600000000, -0.0475292700000000 ] - [ 0.0059712300000000, 0.0007983900000000, 0.0004967600000000 ] - [ 0.0039266300000000, 0.0013807700000000, -0.0054567800000000 ] - [ 0.0026692500000000, 0.0045112200000000, 0.0073618700000000 ] - [ 0.0002743900000000, -0.0011305900000000, -0.0008763600000000 ] - [ 0.0000890000000000, -0.0005709100000000, 0.0017602300000000 ] - [ 0.0006914200000000, 0.0038211000000000, 0.0018834000000000 ] - [ -0.0001757100000000, -0.0010991100000000, -0.0010505700000000 ] - [ -0.0402881200000000, -0.0263003900000000, 0.0058455400000000 ] - [ 0.0123356500000000, 0.0019268200000000, 0.0026319700000000 ] - [ -0.0409162500000000, 0.0207007000000000, 0.0289296100000000 ] - [ 0.0117792700000000, -0.0018080400000000, 0.0003062200000000 ] - [ -0.0014802400000000, 0.0009840700000000, -0.0012618600000000 ] - [ 0.0016982800000000, -0.0014987000000000, 0.0016321600000000 ] - [ -0.0018529300000000, -0.0005834800000000, 0.0016923100000000 ] - [ 0.0007492000000000, -0.0007369500000000, 0.0006752700000000 ] - [ -0.0709470300000000, 0.0387438000000000, 0.0427875700000000 ] - [ 0.0056492900000000, 0.0014795700000000, 0.0006801000000000 ] - [ -0.0029524200000000, -0.0084635600000000, -0.0017452400000000 ] - [ 0.0027617900000000, 0.0022414600000000, 0.0010183900000000 ] - [ 0.0011421000000000, 0.0006842200000000, -0.0067316200000000 ] - [ 0.0014540700000000, -0.0019279900000000, 0.0019485800000000 ] - [ -0.0032815300000000, -0.0010764500000000, 0.0002067700000000 ] - [ 0.0013508800000000, -0.0005461700000000, 0.0008406000000000 ] - [ -0.0013903300000000, -0.0062938800000000, 0.0041772600000000 ] - [ 0.0053677700000000, 0.0019405300000000, -0.0038777400000000 ] - [ -0.0344269700000000, 0.0194538900000000, -0.0269069900000000 ] - [ 0.0058842600000000, 0.0008089000000000, 0.0005668900000000 ] - [ 0.0002275200000000, -0.0003245300000000, -0.0002243500000000 ] - [ -0.0012195500000000, 0.0000099200000000, 0.0015432100000000 ] - [ 0.0004558200000000, -0.0007843400000000, -0.0016050800000000 ] - [ 0.0040114500000000, 0.0004360300000000, 0.0070074100000000 ] - [ 0.0009920400000000, -0.0020110400000000, -0.0000035900000000 ] - [ -0.0015528000000000, 0.0036506700000000, 0.0022004400000000 ] - [ -0.0016577800000000, 0.0012003000000000, -0.0017048800000000 ] - [ 0.0021388800000000, -0.0008323300000000, 0.0002352600000000 ] - [ -0.0054973700000000, 0.0029369900000000, 0.0062297800000000 ] - [ 0.0002925700000000, 0.0015484700000000, 0.0021005000000000 ] - [ -0.0014920800000000, 0.0002596700000000, -0.0035808300000000 ] - [ 0.0038045400000000, 0.0013309400000000, 0.0059996500000000 ] - [ -0.0740888800000000, -0.0523688500000000, 0.0195406600000000 ] - [ 0.0054037100000000, -0.0021607700000000, -0.0009187700000000 ] - [ -0.0009021800000000, 0.0108861700000000, 0.0046489000000000 ] - [ 0.0035218900000000, -0.0024466100000000, -0.0005043700000000 ] - [ 0.0014455600000000, 0.0009031800000000, -0.0083526100000000 ] - [ 0.0017968400000000, -0.0061935400000000, 0.0057410200000000 ] - [ 0.0001112200000000, 0.0017701100000000, -0.0010180400000000 ] - [ 0.0025765800000000, -0.0055973500000000, 0.0033871100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0089575100000000, -0.4326255200000000, 0.0120394000000000 ] - [ 0.0000152700000000, -0.0206842900000000, -0.0052484500000000 ] - [ -0.0317618200000000, 0.0329926000000000, 0.0067139900000000 ] - [ 0.0358080400000000, 0.0325235800000000, 0.0312829100000000 ] - [ 0.0014409200000000, 0.0048415400000000, -0.0007992800000000 ] - [ 0.0051315200000000, 0.0037084500000000, 0.0074731500000000 ] - [ -0.0021131400000000, 0.0125611100000000, 0.0060011600000000 ] - [ 0.0004606300000000, 0.0090387900000000, 0.0004666200000000 ] - [ 0.0137330800000000, 0.0695104500000000, 0.0305445600000000 ] - [ -0.0021555200000000, 0.0027828900000000, -0.0013382200000000 ] - [ 0.0001957600000000, 0.0139987700000000, -0.0005015300000000 ] - [ -0.0020911700000000, 0.0159758800000000, 0.0025753000000000 ] - [ -0.0035354600000000, -0.0227330300000000, 0.0121886100000000 ] - [ -0.0002404800000000, -0.0285202800000000, -0.0049189700000000 ] - [ -0.0129831500000000, 0.0244519600000000, -0.0357391900000000 ] - [ 0.0037087500000000, -0.0015643800000000, -0.0092587200000000 ] - [ -0.0003918300000000, 0.0006175900000000, 0.0082796600000000 ] - [ 0.0001062100000000, -0.0011002400000000, -0.0012031500000000 ] - [ 0.0014996400000000, 0.0022693500000000, 0.0007604200000000 ] - [ 0.0013898300000000, 0.0004618800000000, 0.0000659500000000 ] - [ 0.0027088400000000, 0.0039392200000000, -0.0154442300000000 ] - [ -0.0008093500000000, 0.0004983900000000, -0.0000933200000000 ] - [ -0.0000015000000000, 0.0004619900000000, 0.0000442600000000 ] - [ 0.0002988900000000, 0.0009041500000000, 0.0001150200000000 ] - [ -0.0040216200000000, 0.0028128900000000, -0.0014341400000000 ] - [ 0.0042396400000000, 0.0059060500000000, 0.0004685000000000 ] - [ -0.0002545700000000, 0.0021971900000000, -0.0007152400000000 ] - [ 0.0001628200000000, 0.0012374500000000, 0.0001824600000000 ] - [ -0.0002133100000000, -0.0012736900000000, -0.0007352600000000 ] - [ 0.0006678200000000, -0.0030575400000000, -0.0005401300000000 ] - [ 0.0001262900000000, 0.0006435600000000, 0.0011608200000000 ] - [ 0.0011567600000000, 0.0008195900000000, 0.0014763700000000 ] - [ -0.0232019900000000, 0.0365546100000000, -0.0294830800000000 ] - [ -0.0010972600000000, 0.0051109200000000, 0.0015375500000000 ] - [ 0.0032806500000000, 0.0020193700000000, -0.0066419600000000 ] - [ -0.0040741900000000, 0.0084478700000000, -0.0146026100000000 ] - [ -0.0004668100000000, -0.0040353800000000, -0.0011399600000000 ] - [ 0.0011888600000000, -0.0042576500000000, -0.0010010100000000 ] - [ -0.0016694700000000, -0.0153573500000000, -0.0104017600000000 ] - [ -0.0000919900000000, -0.0031542000000000, -0.0010214200000000 ] - [ 0.0246298600000000, 0.0544333800000000, -0.0162144100000000 ] - [ 0.0072644400000000, 0.0025292700000000, 0.0022589600000000 ] - [ -0.0201451800000000, 0.0385497200000000, 0.0191777600000000 ] - [ -0.0079335500000000, 0.0083704100000000, -0.0027295800000000 ] - [ 0.0016455500000000, -0.0035126500000000, -0.0001337500000000 ] - [ 0.0003233300000000, -0.0033734300000000, -0.0023903300000000 ] - [ 0.0019155200000000, -0.0021370200000000, -0.0028706400000000 ] - [ -0.0018865500000000, -0.0028937500000000, -0.0002707600000000 ] - [ -0.0502443500000000, 0.0641943800000000, 0.0376023400000000 ] - [ -0.0024556400000000, 0.0038833200000000, 0.0005913300000000 ] - [ 0.0008821200000000, -0.0056183100000000, -0.0014243300000000 ] - [ -0.0018539400000000, -0.0016979800000000, -0.0004309200000000 ] - [ -0.0035740400000000, -0.0002855800000000, 0.0094381000000000 ] - [ 0.0002604400000000, 0.0008847700000000, -0.0022112300000000 ] - [ 0.0010499000000000, -0.0039957800000000, 0.0010592600000000 ] - [ -0.0002483300000000, -0.0025156600000000, 0.0006166000000000 ] - [ 0.0030062300000000, -0.0058648500000000, 0.0052904300000000 ] - [ -0.0089836400000000, -0.0042492500000000, 0.0064048100000000 ] - [ -0.0076189400000000, 0.0340157800000000, -0.0098847800000000 ] - [ 0.0003194500000000, 0.0050087200000000, 0.0014010900000000 ] - [ -0.0006291200000000, -0.0021928000000000, 0.0006703200000000 ] - [ 0.0001072600000000, -0.0022740100000000, -0.0001292400000000 ] - [ 0.0018909300000000, -0.0011407600000000, 0.0013300700000000 ] - [ -0.0064853500000000, -0.0017794900000000, -0.0107913500000000 ] - [ 0.0027505900000000, -0.0023865800000000, 0.0016907200000000 ] - [ -0.0070442500000000, -0.0101336500000000, 0.0020308100000000 ] - [ 0.0038653500000000, -0.0062285700000000, 0.0034675900000000 ] - [ 0.0005531100000000, -0.0026559700000000, 0.0002106000000000 ] - [ -0.0045872300000000, 0.0056732200000000, 0.0036289000000000 ] - [ -0.0007991100000000, 0.0038672100000000, 0.0024715200000000 ] - [ -0.0003182600000000, 0.0003872900000000, 0.0005618600000000 ] - [ 0.0051050900000000, 0.0031596900000000, 0.0039346300000000 ] - [ 0.0704110200000000, 0.1044833000000000, -0.0209786700000000 ] - [ 0.0029269700000000, 0.0043486100000000, 0.0013476600000000 ] - [ -0.0005940300000000, -0.0151633300000000, -0.0057178700000000 ] - [ 0.0020266300000000, -0.0062453200000000, -0.0018276000000000 ] - [ -0.0001259900000000, 0.0049621200000000, -0.0088286600000000 ] - [ -0.0013190000000000, 0.0029676300000000, -0.0019224000000000 ] - [ 0.0001523700000000, -0.0040949600000000, 0.0009735400000000 ] - [ 0.0006572900000000, -0.0102036400000000, 0.0014825500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0116549300000000, 0.4288369200000000, -0.0137102200000000 ] - [ -0.0011629200000000, 0.0203006700000000, 0.0042925400000000 ] - [ 0.0323248600000000, -0.0315110800000000, -0.0056304700000000 ] - [ -0.0357684300000000, -0.0313091600000000, -0.0300394700000000 ] - [ -0.0025797500000000, -0.0044906000000000, -0.0001601600000000 ] - [ -0.0062300300000000, -0.0033988200000000, -0.0083733600000000 ] - [ 0.0024155700000000, -0.0139803100000000, -0.0046807500000000 ] - [ -0.0001079600000000, -0.0104759000000000, 0.0007694300000000 ] - [ -0.0119029900000000, -0.0674571000000000, -0.0315262700000000 ] - [ 0.0038041900000000, -0.0013139900000000, 0.0001675800000000 ] - [ -0.0014722200000000, -0.0144166600000000, -0.0003458000000000 ] - [ 0.0007919400000000, -0.0163878600000000, -0.0034517700000000 ] - [ 0.0051575200000000, 0.0211653800000000, -0.0133256400000000 ] - [ 0.0019062100000000, 0.0271853800000000, 0.0037740600000000 ] - [ 0.0117844500000000, -0.0239678500000000, 0.0351545200000000 ] - [ -0.0049925300000000, 0.0019965000000000, 0.0083775500000000 ] - [ -0.0002487900000000, -0.0010766900000000, -0.0088688000000000 ] - [ -0.0006786200000000, 0.0005098600000000, 0.0005328500000000 ] - [ 0.0001510300000000, -0.0023385000000000, -0.0008203100000000 ] - [ 0.0002604500000000, -0.0005069800000000, -0.0001146900000000 ] - [ -0.0032461500000000, -0.0033044500000000, 0.0147064000000000 ] - [ 0.0002399600000000, 0.0000848700000000, -0.0005888900000000 ] - [ 0.0016417500000000, -0.0004117800000000, -0.0000918200000000 ] - [ 0.0013583000000000, -0.0008542900000000, -0.0001629100000000 ] - [ 0.0031262600000000, -0.0020996600000000, 0.0015586400000000 ] - [ -0.0051168300000000, -0.0052117000000000, -0.0003411900000000 ] - [ 0.0005655000000000, -0.0020202000000000, 0.0014918100000000 ] - [ 0.0001493200000000, -0.0010620900000000, 0.0005959100000000 ] - [ -0.0006545700000000, 0.0005600900000000, 0.0008744000000000 ] - [ -0.0015290800000000, 0.0023394000000000, 0.0006572100000000 ] - [ 0.0001889900000000, -0.0008122400000000, -0.0003792100000000 ] - [ -0.0008394500000000, -0.0009926700000000, -0.0007007100000000 ] - [ 0.0236884400000000, -0.0366368200000000, 0.0308700600000000 ] - [ 0.0012929800000000, -0.0052792600000000, -0.0006564000000000 ] - [ -0.0039687900000000, -0.0016837000000000, 0.0059219900000000 ] - [ 0.0033896900000000, -0.0080993700000000, 0.0139984200000000 ] - [ 0.0006507900000000, 0.0042097900000000, 0.0020202100000000 ] - [ -0.0009916800000000, 0.0044418500000000, 0.0019066300000000 ] - [ 0.0009118300000000, 0.0149248400000000, 0.0096697100000000 ] - [ -0.0006549800000000, 0.0027847700000000, 0.0003540100000000 ] - [ -0.0278839300000000, -0.0584776200000000, 0.0159869700000000 ] - [ -0.0076144400000000, -0.0029467100000000, -0.0031082900000000 ] - [ 0.0220909200000000, -0.0398047500000000, -0.0200587800000000 ] - [ 0.0084695800000000, -0.0086485200000000, 0.0030496900000000 ] - [ -0.0020158100000000, 0.0039286100000000, -0.0007386500000000 ] - [ -0.0006985800000000, 0.0037959000000000, 0.0015084300000000 ] - [ -0.0013604300000000, 0.0024292800000000, 0.0031563500000000 ] - [ 0.0024207500000000, 0.0031978800000000, 0.0005868300000000 ] - [ 0.0485184500000000, -0.0628214700000000, -0.0361628700000000 ] - [ 0.0027115800000000, -0.0039152100000000, -0.0010121900000000 ] - [ -0.0022921200000000, 0.0062176900000000, 0.0024426100000000 ] - [ 0.0004895000000000, 0.0023159600000000, 0.0014508900000000 ] - [ 0.0038268200000000, 0.0003213500000000, -0.0098211700000000 ] - [ 0.0000071500000000, -0.0008261500000000, 0.0017919100000000 ] - [ -0.0024243800000000, 0.0033694100000000, -0.0000472300000000 ] - [ -0.0011428200000000, 0.0018941200000000, 0.0004030800000000 ] - [ -0.0029170600000000, 0.0057346200000000, -0.0056157300000000 ] - [ 0.0090402200000000, 0.0040854600000000, -0.0066384200000000 ] - [ 0.0082876800000000, -0.0344830100000000, 0.0108596500000000 ] - [ 0.0005248300000000, -0.0053888900000000, -0.0001263600000000 ] - [ 0.0007632800000000, 0.0023145800000000, -0.0009690800000000 ] - [ 0.0000222200000000, 0.0023963600000000, -0.0001570600000000 ] - [ -0.0010561700000000, 0.0015495400000000, -0.0000722900000000 ] - [ 0.0072803500000000, 0.0021654900000000, 0.0119751100000000 ] - [ -0.0039010700000000, 0.0014327900000000, -0.0006726300000000 ] - [ 0.0058872500000000, 0.0092566100000000, -0.0009895800000000 ] - [ -0.0031723200000000, 0.0058589200000000, -0.0045275800000000 ] - [ 0.0001223400000000, 0.0023128800000000, -0.0013003400000000 ] - [ 0.0034400200000000, -0.0047355300000000, -0.0026335600000000 ] - [ -0.0003780000000000, -0.0029226700000000, -0.0014433100000000 ] - [ 0.0009956000000000, -0.0000479800000000, -0.0016537400000000 ] - [ -0.0044412800000000, -0.0028660700000000, -0.0050181800000000 ] - [ -0.0660223400000000, -0.0978366800000000, 0.0199408000000000 ] - [ -0.0033085700000000, -0.0038173700000000, -0.0012014000000000 ] - [ 0.0019551700000000, 0.0146773700000000, 0.0059674300000000 ] - [ -0.0007118000000000, 0.0057873500000000, 0.0020888000000000 ] - [ -0.0002599100000000, -0.0054511300000000, 0.0089444100000000 ] - [ 0.0009119700000000, -0.0034422900000000, 0.0020242300000000 ] - [ 0.0011697300000000, 0.0045227800000000, -0.0007066200000000 ] - [ 0.0006662800000000, 0.0106265300000000, -0.0012272600000000 ]- atom: 1 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ 0.1787977300000000, 0.0051589700000000, -0.3434012600000000 ] - [ -0.0161277900000000, -0.0045962400000000, -0.0032019600000000 ] - [ -0.0318620500000000, 0.0453001400000000, -0.0139059100000000 ] - [ -0.0160957600000000, -0.0106533400000000, -0.0230776000000000 ] - [ -0.0043653400000000, 0.0015231600000000, 0.0069339200000000 ] - [ 0.0015159400000000, -0.0037862200000000, 0.0019844600000000 ] - [ -0.0006191100000000, -0.0035616100000000, 0.0014593800000000 ] - [ 0.0004410800000000, -0.0014552700000000, 0.0019714400000000 ] - [ 0.0174140600000000, 0.0006987000000000, -0.0170726000000000 ] - [ -0.0037546400000000, 0.0028319100000000, -0.0004484800000000 ] - [ -0.0031977800000000, 0.0024422900000000, 0.0005435000000000 ] - [ -0.0001469100000000, -0.0041965100000000, -0.0038074300000000 ] - [ -0.0157644900000000, -0.0126813500000000, 0.0231718400000000 ] - [ 0.0153282900000000, 0.0109751600000000, 0.0241891600000000 ] - [ 0.0117113700000000, -0.0427157000000000, 0.0172233600000000 ] - [ -0.0053064100000000, 0.0027615900000000, 0.0044454100000000 ] - [ -0.0144210300000000, 0.0147506300000000, 0.0187175900000000 ] - [ 0.0005026600000000, 0.0002119800000000, 0.0002421000000000 ] - [ 0.0057522400000000, 0.0016391800000000, -0.0019087400000000 ] - [ -0.0001785800000000, -0.0000948800000000, 0.0000009000000000 ] - [ -0.0028478500000000, -0.0038943400000000, 0.0035705400000000 ] - [ 0.0001401500000000, -0.0000738700000000, -0.0012911000000000 ] - [ 0.0004079600000000, 0.0001306900000000, 0.0004092600000000 ] - [ 0.0015222000000000, 0.0000056100000000, -0.0007244300000000 ] - [ -0.0015221800000000, 0.0021887300000000, -0.0032423800000000 ] - [ -0.0018666200000000, -0.0018963000000000, 0.0002049300000000 ] - [ 0.0006838300000000, 0.0000189100000000, 0.0005191700000000 ] - [ -0.0001073900000000, 0.0001434700000000, 0.0001169400000000 ] - [ -0.0007162200000000, -0.0009441600000000, 0.0012613000000000 ] - [ 0.0008826100000000, -0.0003738200000000, 0.0051051800000000 ] - [ 0.0004501000000000, 0.0002598300000000, 0.0020903900000000 ] - [ -0.0003099800000000, -0.0004623400000000, 0.0005694700000000 ] - [ 0.0203876700000000, -0.0023395900000000, 0.0623442100000000 ] - [ 0.0052448800000000, 0.0012707000000000, 0.0004533900000000 ] - [ 0.0060126200000000, 0.0015415600000000, -0.0090039200000000 ] - [ -0.0047978700000000, -0.0072255400000000, 0.0070766000000000 ] - [ 0.0008652700000000, -0.0004782300000000, -0.0005598200000000 ] - [ -0.0005592200000000, 0.0027904800000000, 0.0016336100000000 ] - [ 0.0006498600000000, 0.0028400900000000, 0.0012136000000000 ] - [ 0.0000057200000000, -0.0006056200000000, -0.0007881100000000 ] - [ -0.0183193500000000, -0.0179414700000000, 0.0296326200000000 ] - [ 0.0100268700000000, 0.0013916700000000, 0.0058079400000000 ] - [ -0.0386317600000000, 0.0205820700000000, 0.0608313000000000 ] - [ 0.0052503700000000, -0.0033130900000000, 0.0028483000000000 ] - [ -0.0007905900000000, 0.0010086400000000, -0.0014853500000000 ] - [ -0.0005475800000000, 0.0014554700000000, -0.0007321000000000 ] - [ -0.0006692600000000, -0.0000067400000000, 0.0005813100000000 ] - [ 0.0006179600000000, 0.0007413100000000, -0.0003347300000000 ] - [ -0.0716060900000000, 0.0395793700000000, 0.0760643200000000 ] - [ 0.0016406900000000, 0.0002179300000000, 0.0004741700000000 ] - [ -0.0017150900000000, -0.0100611900000000, -0.0004644800000000 ] - [ -0.0001540200000000, 0.0001791700000000, 0.0011769700000000 ] - [ 0.0040416600000000, 0.0021652800000000, -0.0056031900000000 ] - [ -0.0010391400000000, 0.0012433600000000, -0.0004990700000000 ] - [ -0.0004530500000000, 0.0013603100000000, -0.0001642700000000 ] - [ -0.0010601300000000, -0.0001983400000000, 0.0008645900000000 ] - [ -0.0070534800000000, 0.0015125400000000, 0.0159735900000000 ] - [ 0.0056263400000000, 0.0011882300000000, -0.0042454100000000 ] - [ 0.0085116300000000, -0.0146827800000000, 0.0411433600000000 ] - [ 0.0048154900000000, 0.0013030900000000, -0.0004754600000000 ] - [ 0.0011382700000000, 0.0000796300000000, -0.0019332400000000 ] - [ -0.0009883100000000, 0.0001660000000000, 0.0005616100000000 ] - [ 0.0019675900000000, -0.0010474500000000, -0.0018192300000000 ] - [ -0.0003706600000000, -0.0011711700000000, 0.0010723200000000 ] - [ 0.0009992500000000, -0.0022932500000000, 0.0013952500000000 ] - [ -0.0035446500000000, 0.0028538900000000, 0.0018222100000000 ] - [ -0.0001146900000000, 0.0002085300000000, -0.0001661300000000 ] - [ 0.0015754800000000, -0.0007631500000000, 0.0000891500000000 ] - [ 0.0007161200000000, -0.0016251300000000, -0.0042354100000000 ] - [ 0.0040565400000000, 0.0010238900000000, -0.0062833200000000 ] - [ 0.0006447400000000, -0.0003534900000000, -0.0035712900000000 ] - [ -0.0043477900000000, 0.0002941900000000, -0.0067903100000000 ] - [ -0.0511928900000000, -0.0379037600000000, 0.0390020700000000 ] - [ 0.0031619200000000, 0.0002140300000000, 0.0021968700000000 ] - [ -0.0003243400000000, 0.0073964700000000, 0.0054855100000000 ] - [ 0.0023883400000000, -0.0024747500000000, 0.0008278900000000 ] - [ 0.0034581100000000, 0.0002071300000000, -0.0109317500000000 ] - [ -0.0011079700000000, 0.0025529800000000, -0.0013305200000000 ] - [ 0.0008372200000000, 0.0005455300000000, -0.0009559500000000 ] - [ -0.0015927800000000, 0.0069162000000000, -0.0008480500000000 ]- atom: 1 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ -0.1801104400000000, -0.0064420400000000, 0.3413605800000000 ] - [ 0.0150087500000000, 0.0042269900000000, 0.0022391500000000 ] - [ 0.0324409200000000, -0.0441001600000000, 0.0150379700000000 ] - [ 0.0164489900000000, 0.0120675300000000, 0.0243799000000000 ] - [ 0.0032331100000000, -0.0010642700000000, -0.0079191200000000 ] - [ -0.0026556300000000, 0.0041223400000000, -0.0029338700000000 ] - [ 0.0009721300000000, 0.0021082300000000, -0.0002154500000000 ] - [ -0.0001187500000000, 0.0000062000000000, -0.0007245900000000 ] - [ -0.0158088300000000, 0.0006769800000000, 0.0158031500000000 ] - [ 0.0054092000000000, -0.0013112300000000, -0.0007348800000000 ] - [ 0.0019182600000000, -0.0028674100000000, -0.0013857900000000 ] - [ -0.0011160800000000, 0.0037846800000000, 0.0029614400000000 ] - [ 0.0174966600000000, 0.0111134500000000, -0.0243578100000000 ] - [ -0.0138242600000000, -0.0123577100000000, -0.0253725500000000 ] - [ -0.0128901100000000, 0.0430921300000000, -0.0180333800000000 ] - [ 0.0040154700000000, -0.0024005600000000, -0.0053342500000000 ] - [ 0.0135295300000000, -0.0148877900000000, -0.0190442100000000 ] - [ -0.0010798400000000, -0.0007996100000000, -0.0009119900000000 ] - [ -0.0041232100000000, -0.0016998400000000, 0.0018666600000000 ] - [ 0.0018316000000000, 0.0000478200000000, -0.0000513000000000 ] - [ 0.0022780200000000, 0.0045485000000000, -0.0042399900000000 ] - [ -0.0007028700000000, 0.0006596500000000, 0.0006012600000000 ] - [ 0.0012420500000000, -0.0000819300000000, -0.0004605900000000 ] - [ 0.0001279100000000, 0.0000424900000000, 0.0006778300000000 ] - [ 0.0006611900000000, -0.0014803400000000, 0.0033641000000000 ] - [ 0.0009837400000000, 0.0026038200000000, -0.0000607400000000 ] - [ -0.0003748100000000, 0.0001531500000000, 0.0002565600000000 ] - [ 0.0004196100000000, 0.0000299300000000, 0.0006603000000000 ] - [ -0.0001575700000000, 0.0002364000000000, -0.0011303200000000 ] - [ -0.0017297700000000, -0.0003202200000000, -0.0049445600000000 ] - [ -0.0001296600000000, -0.0004358500000000, -0.0013093600000000 ] - [ 0.0006307500000000, 0.0002897600000000, 0.0002139000000000 ] - [ -0.0190808700000000, 0.0015376800000000, -0.0601836100000000 ] - [ -0.0050209800000000, -0.0014239600000000, 0.0004350100000000 ] - [ -0.0066796700000000, -0.0011771400000000, 0.0082532300000000 ] - [ 0.0040895700000000, 0.0075912900000000, -0.0077386500000000 ] - [ -0.0006875900000000, 0.0006306200000000, 0.0014306000000000 ] - [ 0.0007452100000000, -0.0026140200000000, -0.0007509000000000 ] - [ -0.0014027400000000, -0.0031845700000000, -0.0018590000000000 ] - [ -0.0007550400000000, 0.0002323200000000, 0.0001224900000000 ] - [ 0.0174822600000000, 0.0167662900000000, -0.0305250900000000 ] - [ -0.0103847900000000, -0.0017681600000000, -0.0066610300000000 ] - [ 0.0424494900000000, -0.0238268400000000, -0.0631983600000000 ] - [ -0.0047649700000000, 0.0030577900000000, -0.0025236900000000 ] - [ 0.0004241000000000, -0.0006045900000000, 0.0006136900000000 ] - [ 0.0001705200000000, -0.0010327800000000, -0.0001404400000000 ] - [ 0.0011841700000000, 0.0002909100000000, -0.0002487300000000 ] - [ -0.0000714600000000, -0.0004360800000000, 0.0006496900000000 ] - [ 0.0684621200000000, -0.0359751700000000, -0.0734246200000000 ] - [ -0.0013548400000000, -0.0002739900000000, -0.0009055300000000 ] - [ 0.0003129500000000, 0.0106711200000000, 0.0014624700000000 ] - [ -0.0012260500000000, 0.0004461400000000, -0.0001537300000000 ] - [ -0.0037845200000000, -0.0021588200000000, 0.0052058800000000 ] - [ 0.0013009300000000, -0.0011916800000000, 0.0000877900000000 ] - [ -0.0009314000000000, -0.0019803400000000, 0.0011874600000000 ] - [ -0.0003188000000000, -0.0004173900000000, 0.0001533700000000 ] - [ 0.0071693300000000, -0.0016424600000000, -0.0162859700000000 ] - [ -0.0055724600000000, -0.0013285500000000, 0.0040199500000000 ] - [ -0.0085656500000000, 0.0146928400000000, -0.0408555200000000 ] - [ -0.0040075000000000, -0.0016940100000000, 0.0017262400000000 ] - [ -0.0010075100000000, 0.0000423300000000, 0.0016403900000000 ] - [ 0.0011289600000000, -0.0000417600000000, -0.0008677200000000 ] - [ -0.0011184300000000, 0.0014369100000000, 0.0030965100000000 ] - [ 0.0012218200000000, 0.0015623000000000, 0.0002192600000000 ] - [ -0.0021880300000000, 0.0013314700000000, -0.0003672800000000 ] - [ 0.0024451300000000, -0.0037539600000000, -0.0008220200000000 ] - [ 0.0007814600000000, -0.0005527300000000, -0.0009273800000000 ] - [ -0.0009023900000000, 0.0004199200000000, -0.0011780000000000 ] - [ -0.0018261100000000, 0.0025806000000000, 0.0052625500000000 ] - [ -0.0052559500000000, -0.0000685900000000, 0.0072784100000000 ] - [ 0.0000438900000000, 0.0007172000000000, 0.0024880100000000 ] - [ 0.0050245900000000, -0.0000004500000000, 0.0057237400000000 ] - [ 0.0513060000000000, 0.0395448300000000, -0.0386330500000000 ] - [ -0.0035356200000000, 0.0002814800000000, -0.0020466700000000 ] - [ 0.0016628700000000, -0.0078972200000000, -0.0052524700000000 ] - [ -0.0010824500000000, 0.0020472000000000, -0.0005689200000000 ] - [ -0.0038337500000000, -0.0007729300000000, 0.0110256700000000 ] - [ 0.0007246400000000, -0.0030561500000000, 0.0014527200000000 ] - [ 0.0004852200000000, -0.0000944000000000, 0.0012185400000000 ] - [ 0.0029183000000000, -0.0064736100000000, 0.0011066600000000 ]- atom: 3 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ 0.0321564700000000, -0.0320480200000000, -0.0186028300000000 ] - [ 0.0312121500000000, 0.0358508400000000, -0.0007280100000000 ] - [ -0.3994331300000000, -0.0161743500000000, 0.0204636200000000 ] - [ 0.0297692300000000, -0.0004047100000000, 0.0032174400000000 ] - [ -0.0040678900000000, 0.0024131600000000, -0.0034521600000000 ] - [ -0.0006655400000000, -0.0001051300000000, -0.0002015700000000 ] - [ 0.0089818100000000, 0.0046335900000000, -0.0067148400000000 ] - [ -0.0028220900000000, 0.0015487900000000, 0.0051298700000000 ] - [ -0.0012588700000000, -0.0039039300000000, -0.0049745800000000 ] - [ 0.0039661700000000, 0.0034404900000000, 0.0013362500000000 ] - [ -0.0150884700000000, -0.0243683600000000, -0.0174476100000000 ] - [ 0.0044402800000000, 0.0050366300000000, 0.0018526700000000 ] - [ -0.0111802500000000, 0.0201550900000000, -0.0108666600000000 ] - [ 0.0045594800000000, -0.0035402600000000, 0.0025173500000000 ] - [ 0.0161288300000000, -0.0067542400000000, -0.0375656500000000 ] - [ 0.0067554400000000, -0.0084198400000000, 0.0150195600000000 ] - [ 0.0006436600000000, -0.0007907300000000, -0.0026558400000000 ] - [ -0.0012840200000000, -0.0002768100000000, 0.0026530400000000 ] - [ 0.0259874400000000, 0.0148629800000000, 0.0101589400000000 ] - [ 0.0151806300000000, -0.0039912800000000, -0.0044040600000000 ] - [ -0.0010004000000000, -0.0006474400000000, 0.0021401000000000 ] - [ 0.0005236400000000, 0.0004489700000000, -0.0013444600000000 ] - [ 0.0014722400000000, -0.0002209400000000, -0.0003644700000000 ] - [ -0.0018297600000000, 0.0012698300000000, -0.0004411800000000 ] - [ 0.0003207900000000, 0.0001873900000000, -0.0000493700000000 ] - [ -0.0019305100000000, 0.0003314400000000, 0.0003437500000000 ] - [ 0.0014071300000000, 0.0025000900000000, -0.0003705700000000 ] - [ 0.0027164500000000, -0.0031440800000000, 0.0011805100000000 ] - [ -0.0010762600000000, -0.0004366500000000, 0.0007836700000000 ] - [ -0.0000424300000000, -0.0007311500000000, -0.0007089300000000 ] - [ -0.0037946900000000, -0.0020979200000000, -0.0011812700000000 ] - [ 0.0005877600000000, 0.0010864800000000, -0.0001438800000000 ] - [ -0.0028021700000000, 0.0040371800000000, 0.0082972800000000 ] - [ -0.0047632500000000, 0.0012847200000000, -0.0045146000000000 ] - [ 0.0568993900000000, 0.0115943500000000, -0.0521775700000000 ] - [ -0.0061886200000000, 0.0014679100000000, -0.0005057400000000 ] - [ -0.0009462500000000, 0.0056026100000000, 0.0045209900000000 ] - [ -0.0000745500000000, -0.0013481600000000, -0.0007735600000000 ] - [ -0.0004833500000000, -0.0006931000000000, 0.0011195600000000 ] - [ -0.0003857000000000, -0.0011972700000000, -0.0016161200000000 ] - [ -0.0117323500000000, -0.0017365600000000, -0.0001761000000000 ] - [ 0.0384855200000000, 0.0176151700000000, 0.0265568200000000 ] - [ 0.0362638600000000, -0.0210076300000000, 0.0059083200000000 ] - [ -0.0123772700000000, 0.0016281000000000, 0.0031913000000000 ] - [ 0.0020686200000000, -0.0006681700000000, 0.0008983900000000 ] - [ -0.0011744700000000, -0.0004653400000000, 0.0001081800000000 ] - [ -0.0016760500000000, -0.0010636800000000, 0.0025616800000000 ] - [ 0.0015214700000000, 0.0005527100000000, -0.0007129900000000 ] - [ -0.0024544200000000, 0.0021822200000000, 0.0017378700000000 ] - [ 0.0003538300000000, -0.0073628400000000, -0.0042263100000000 ] - [ 0.0860800000000000, 0.0407806300000000, 0.0399048300000000 ] - [ -0.0119215300000000, 0.0008613600000000, 0.0014618400000000 ] - [ 0.0025025900000000, -0.0009461300000000, -0.0019174200000000 ] - [ -0.0011387200000000, 0.0001495700000000, 0.0007653100000000 ] - [ -0.0026163700000000, -0.0021450700000000, 0.0025777100000000 ] - [ 0.0008844700000000, 0.0000301500000000, -0.0014705600000000 ] - [ 0.0314180500000000, 0.0183823900000000, -0.0267231100000000 ] - [ -0.0058097000000000, 0.0008127600000000, 0.0003584000000000 ] - [ -0.0048976500000000, 0.0019437900000000, -0.0032227900000000 ] - [ 0.0028570800000000, -0.0061489500000000, 0.0061281500000000 ] - [ -0.0042025100000000, 0.0008785000000000, 0.0076690400000000 ] - [ 0.0001187000000000, -0.0010812100000000, -0.0025395600000000 ] - [ 0.0001535400000000, -0.0001058900000000, 0.0003723400000000 ] - [ 0.0016812800000000, 0.0001998500000000, 0.0020627200000000 ] - [ -0.0027774100000000, -0.0012116800000000, 0.0013110100000000 ] - [ 0.0022382700000000, 0.0015576400000000, -0.0009699700000000 ] - [ -0.0009910100000000, -0.0020906600000000, -0.0008683400000000 ] - [ 0.0000812400000000, 0.0048834500000000, 0.0005392800000000 ] - [ 0.0006427300000000, 0.0003601000000000, -0.0024272100000000 ] - [ -0.0033332000000000, 0.0018024000000000, 0.0058973200000000 ] - [ 0.0003474900000000, 0.0006407200000000, 0.0012485100000000 ] - [ 0.0047771200000000, 0.0021403400000000, 0.0053620100000000 ] - [ -0.0001601400000000, 0.0126383500000000, 0.0031415100000000 ] - [ -0.0023642500000000, -0.0022614400000000, 0.0002655200000000 ] - [ -0.0111829400000000, -0.0040139500000000, 0.0003935100000000 ] - [ 0.0879103400000000, -0.0562043200000000, 0.0107200800000000 ] - [ -0.0011193000000000, -0.0042369200000000, 0.0045010100000000 ] - [ 0.0002189400000000, 0.0007148600000000, -0.0018386300000000 ] - [ 0.0000066000000000, 0.0026536500000000, -0.0028254300000000 ] - [ -0.0012732200000000, -0.0071164400000000, 0.0053467100000000 ]- atom: 3 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ -0.0333293800000000, 0.0319835700000000, 0.0176492400000000 ] - [ -0.0323006700000000, -0.0359916300000000, -0.0000561700000000 ] - [ 0.3996688800000000, 0.0201339600000000, -0.0179744700000000 ] - [ -0.0294105800000000, 0.0019121300000000, -0.0019350400000000 ] - [ 0.0029258800000000, -0.0020687000000000, 0.0024933800000000 ] - [ -0.0004999600000000, 0.0004625600000000, -0.0007666800000000 ] - [ -0.0086281100000000, -0.0060746500000000, 0.0079570800000000 ] - [ 0.0031822100000000, -0.0030299100000000, -0.0038927100000000 ] - [ 0.0029379800000000, 0.0053644100000000, 0.0037841800000000 ] - [ -0.0023122800000000, -0.0019522400000000, -0.0025235500000000 ] - [ 0.0137450300000000, 0.0239361400000000, 0.0166094000000000 ] - [ -0.0057092600000000, -0.0055700600000000, -0.0027507600000000 ] - [ 0.0127790500000000, -0.0217055000000000, 0.0096896800000000 ] - [ -0.0028987700000000, 0.0021378500000000, -0.0037244900000000 ] - [ -0.0174546200000000, 0.0071042400000000, 0.0368651800000000 ] - [ -0.0080344600000000, 0.0089234700000000, -0.0158155800000000 ] - [ -0.0012152300000000, 0.0002030000000000, 0.0019809900000000 ] - [ 0.0007137300000000, -0.0003102300000000, -0.0033364200000000 ] - [ -0.0247217700000000, -0.0152853000000000, -0.0104043400000000 ] - [ -0.0134245900000000, 0.0038512000000000, 0.0043104800000000 ] - [ 0.0004310100000000, 0.0012323200000000, -0.0028155900000000 ] - [ -0.0010938500000000, 0.0001380800000000, 0.0006649800000000 ] - [ 0.0001841100000000, 0.0002684400000000, 0.0003162200000000 ] - [ 0.0034631100000000, -0.0012162800000000, 0.0003907200000000 ] - [ -0.0011879200000000, 0.0005212200000000, 0.0001854100000000 ] - [ 0.0010586500000000, 0.0003757700000000, -0.0002072400000000 ] - [ -0.0010912800000000, -0.0023404900000000, 0.0011577600000000 ] - [ -0.0024171300000000, 0.0033052700000000, -0.0004119000000000 ] - [ 0.0002127700000000, -0.0002704100000000, -0.0006490400000000 ] - [ -0.0008165100000000, 0.0000220200000000, 0.0008427300000000 ] - [ 0.0041188900000000, 0.0019214000000000, 0.0019773300000000 ] - [ -0.0002801700000000, -0.0012608800000000, 0.0009089000000000 ] - [ 0.0030011400000000, -0.0042139300000000, -0.0074409500000000 ] - [ 0.0050232400000000, -0.0014654600000000, 0.0054423300000000 ] - [ -0.0572013900000000, -0.0105790500000000, 0.0497443100000000 ] - [ 0.0054708400000000, -0.0011515900000000, -0.0001235100000000 ] - [ 0.0011275700000000, -0.0054203900000000, -0.0036342400000000 ] - [ 0.0002588500000000, 0.0015523600000000, 0.0016796600000000 ] - [ -0.0002656600000000, 0.0003355400000000, -0.0017845600000000 ] - [ -0.0003649300000000, 0.0008381100000000, 0.0009554100000000 ] - [ 0.0113702000000000, 0.0012519400000000, -0.0007272800000000 ] - [ -0.0371424700000000, -0.0163839700000000, -0.0257380000000000 ] - [ -0.0370040000000000, 0.0225661200000000, -0.0059235800000000 ] - [ 0.0129107900000000, -0.0019893900000000, -0.0029011800000000 ] - [ -0.0024523700000000, 0.0010971300000000, -0.0017740100000000 ] - [ 0.0008209000000000, 0.0008706400000000, -0.0009745200000000 ] - [ 0.0022069000000000, 0.0013579200000000, -0.0022457000000000 ] - [ -0.0009883000000000, -0.0002532400000000, 0.0010365400000000 ] - [ 0.0027290500000000, -0.0022458900000000, -0.0021611500000000 ] - [ -0.0000887000000000, 0.0073438800000000, 0.0038245800000000 ] - [ -0.0896001900000000, -0.0426611400000000, -0.0413104400000000 ] - [ 0.0104969700000000, -0.0002303900000000, -0.0004474100000000 ] - [ -0.0022290000000000, 0.0010022300000000, 0.0014973300000000 ] - [ 0.0014184500000000, -0.0001030300000000, -0.0011782600000000 ] - [ 0.0012237100000000, 0.0015343500000000, -0.0015738100000000 ] - [ -0.0022622300000000, -0.0006414800000000, 0.0024784300000000 ] - [ -0.0318446800000000, -0.0190588500000000, 0.0278734100000000 ] - [ 0.0059368900000000, -0.0009549000000000, -0.0007143600000000 ] - [ 0.0056748900000000, -0.0023442200000000, 0.0044429700000000 ] - [ -0.0019950800000000, 0.0057488000000000, -0.0048493400000000 ] - [ 0.0043474700000000, -0.0007366700000000, -0.0079671500000000 ] - [ 0.0000045500000000, 0.0012142500000000, 0.0022609600000000 ] - [ 0.0006850600000000, 0.0005089400000000, 0.0008829300000000 ] - [ -0.0008371500000000, 0.0002016300000000, -0.0007983200000000 ] - [ 0.0016076400000000, 0.0002576200000000, -0.0002989400000000 ] - [ -0.0034162900000000, -0.0025058200000000, 0.0019900200000000 ] - [ 0.0016496600000000, 0.0017652400000000, -0.0002286700000000 ] - [ 0.0006748400000000, -0.0052909600000000, -0.0016003900000000 ] - [ -0.0018220000000000, 0.0005821700000000, 0.0034500400000000 ] - [ 0.0021980700000000, -0.0008155400000000, -0.0048977100000000 ] - [ 0.0002993000000000, -0.0003015800000000, -0.0023691100000000 ] - [ -0.0040737900000000, -0.0017813700000000, -0.0064271700000000 ] - [ -0.0002244100000000, -0.0120686900000000, -0.0029802600000000 ] - [ 0.0019751000000000, 0.0027561300000000, -0.0001306400000000 ] - [ 0.0125844000000000, 0.0036280500000000, -0.0001264200000000 ] - [ -0.0845045600000000, 0.0522352400000000, -0.0104083500000000 ] - [ 0.0007285100000000, 0.0037316800000000, -0.0043668100000000 ] - [ -0.0006121100000000, -0.0012366100000000, 0.0019879000000000 ] - [ 0.0013133500000000, -0.0022025600000000, 0.0030918500000000 ] - [ 0.0025962200000000, 0.0075359900000000, -0.0050560900000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0371071100000000, 0.0322003300000000, 0.0299973000000000 ] - [ 0.0309682200000000, 0.0317262600000000, 0.0049000400000000 ] - [ -0.0185566300000000, -0.4130777500000000, 0.0024198500000000 ] - [ -0.0009531800000000, -0.0241688200000000, -0.0075200400000000 ] - [ 0.0030253500000000, 0.0134418600000000, 0.0049041300000000 ] - [ -0.0009515100000000, 0.0099297000000000, 0.0001507400000000 ] - [ -0.0051988900000000, 0.0036801800000000, 0.0086032200000000 ] - [ -0.0021230600000000, 0.0007832600000000, 0.0028418600000000 ] - [ 0.0027050500000000, 0.0159419000000000, 0.0037760500000000 ] - [ 0.0007885000000000, 0.0137987400000000, -0.0004825200000000 ] - [ -0.0100297500000000, 0.0650171000000000, 0.0246871200000000 ] - [ 0.0006605900000000, 0.0049617300000000, 0.0004559500000000 ] - [ 0.0126070000000000, 0.0249475300000000, -0.0384658000000000 ] - [ -0.0034908800000000, -0.0033643000000000, -0.0085101700000000 ] - [ 0.0018168500000000, -0.0287916600000000, -0.0063880900000000 ] - [ 0.0046096400000000, -0.0182110700000000, 0.0091266900000000 ] - [ -0.0004858500000000, 0.0001997800000000, 0.0003025100000000 ] - [ -0.0003982600000000, 0.0002894400000000, 0.0017165500000000 ] - [ 0.0179464200000000, 0.0038820700000000, -0.0022015700000000 ] - [ -0.0200674100000000, -0.0057206700000000, 0.0082422700000000 ] - [ 0.0000713800000000, 0.0017396100000000, -0.0022961400000000 ] - [ -0.0000857500000000, 0.0012498300000000, -0.0012277400000000 ] - [ 0.0019665200000000, -0.0004714600000000, 0.0001840500000000 ] - [ 0.0006879400000000, 0.0003462900000000, -0.0011125700000000 ] - [ -0.0003359800000000, 0.0015084000000000, 0.0000697800000000 ] - [ 0.0000230900000000, 0.0023815500000000, -0.0002479200000000 ] - [ 0.0020129300000000, 0.0018537200000000, -0.0008166200000000 ] - [ -0.0032779700000000, 0.0048572900000000, -0.0013774600000000 ] - [ -0.0006420200000000, 0.0004554700000000, 0.0002966200000000 ] - [ -0.0013539800000000, 0.0006243900000000, 0.0008663400000000 ] - [ -0.0021730100000000, -0.0034512900000000, -0.0005938800000000 ] - [ -0.0002052300000000, -0.0005384700000000, -0.0000463100000000 ] - [ 0.0034234700000000, 0.0089627400000000, -0.0141353200000000 ] - [ -0.0038631000000000, 0.0010643100000000, -0.0050869100000000 ] - [ 0.0246748500000000, 0.0362949800000000, -0.0343440000000000 ] - [ 0.0008595500000000, 0.0064996300000000, 0.0002208100000000 ] - [ 0.0006528200000000, -0.0148083200000000, -0.0097621400000000 ] - [ -0.0000048700000000, -0.0037412400000000, -0.0008326800000000 ] - [ -0.0013653700000000, -0.0047239100000000, -0.0016452800000000 ] - [ -0.0001382700000000, -0.0032615500000000, -0.0010761900000000 ] - [ 0.0083016500000000, 0.0084925700000000, -0.0029375500000000 ] - [ 0.0177423300000000, 0.0359426700000000, 0.0171129400000000 ] - [ -0.0254829100000000, 0.0560313700000000, -0.0155512800000000 ] - [ -0.0076464500000000, 0.0034990700000000, 0.0032443300000000 ] - [ -0.0016901600000000, -0.0016680000000000, -0.0033016400000000 ] - [ 0.0022685200000000, -0.0031406300000000, -0.0009945900000000 ] - [ -0.0008047600000000, -0.0040305900000000, -0.0021014100000000 ] - [ -0.0010993200000000, -0.0030007300000000, -0.0000353200000000 ] - [ 0.0010084200000000, -0.0022387900000000, -0.0015311200000000 ] - [ -0.0015432200000000, -0.0057258100000000, -0.0034959900000000 ] - [ 0.0481149000000000, 0.0663670000000000, 0.0453722200000000 ] - [ 0.0128390800000000, 0.0067308900000000, -0.0021284500000000 ] - [ -0.0011335100000000, -0.0040991400000000, 0.0019248200000000 ] - [ 0.0000734000000000, -0.0023110300000000, 0.0007633100000000 ] - [ -0.0014048000000000, 0.0007498600000000, -0.0013074600000000 ] - [ 0.0019156000000000, -0.0005200200000000, 0.0028040500000000 ] - [ 0.0075591800000000, 0.0361780200000000, -0.0134965600000000 ] - [ -0.0007474300000000, 0.0052181900000000, 0.0028606100000000 ] - [ 0.0085458000000000, -0.0042266000000000, 0.0066497600000000 ] - [ -0.0026378900000000, -0.0064815100000000, 0.0065273100000000 ] - [ 0.0065657000000000, -0.0023163600000000, -0.0116316700000000 ] - [ -0.0006475300000000, -0.0011023000000000, -0.0005226900000000 ] - [ 0.0011672700000000, -0.0018512400000000, 0.0015765200000000 ] - [ 0.0004095500000000, -0.0019697100000000, 0.0007074200000000 ] - [ -0.0012797500000000, -0.0029292600000000, 0.0012890400000000 ] - [ -0.0037250600000000, -0.0063196600000000, 0.0036455700000000 ] - [ -0.0019423000000000, -0.0024827900000000, 0.0005788800000000 ] - [ 0.0066547500000000, -0.0087616800000000, 0.0019232600000000 ] - [ 0.0006643600000000, 0.0007794500000000, 0.0016149100000000 ] - [ -0.0047123100000000, 0.0034718800000000, 0.0045293700000000 ] - [ 0.0009834000000000, 0.0030380300000000, 0.0021441800000000 ] - [ 0.0045601000000000, 0.0049069500000000, 0.0028988400000000 ] - [ 0.0006351700000000, -0.0146681200000000, -0.0046218900000000 ] - [ -0.0020241000000000, -0.0054386900000000, -0.0015693100000000 ] - [ -0.0083382000000000, 0.0021481100000000, 0.0038867700000000 ] - [ -0.0616946800000000, 0.0922916000000000, -0.0086219700000000 ] - [ -0.0000740700000000, -0.0096305000000000, 0.0015707900000000 ] - [ 0.0005537600000000, -0.0041453400000000, -0.0001919900000000 ] - [ 0.0005876500000000, 0.0062128700000000, -0.0035191700000000 ] - [ 0.0007858000000000, 0.0026923700000000, -0.0016573700000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0356493700000000, -0.0323030800000000, -0.0309463100000000 ] - [ -0.0318899100000000, -0.0321062400000000, -0.0056749300000000 ] - [ 0.0176624400000000, 0.4168556000000000, 0.0007057500000000 ] - [ 0.0012927300000000, 0.0256618900000000, 0.0087797700000000 ] - [ -0.0042042000000000, -0.0130997500000000, -0.0059185700000000 ] - [ -0.0001873100000000, -0.0095853100000000, -0.0010951600000000 ] - [ 0.0055795800000000, -0.0050916500000000, -0.0074010600000000 ] - [ 0.0024757400000000, -0.0022194400000000, -0.0015966200000000 ] - [ -0.0010565000000000, -0.0144722200000000, -0.0049454800000000 ] - [ 0.0008743400000000, -0.0123184000000000, -0.0007076300000000 ] - [ 0.0089091600000000, -0.0659231000000000, -0.0256953000000000 ] - [ -0.0019489800000000, -0.0053920500000000, -0.0013296100000000 ] - [ -0.0108519800000000, -0.0264512000000000, 0.0369734800000000 ] - [ 0.0051533900000000, 0.0018796900000000, 0.0073501900000000 ] - [ -0.0031005900000000, 0.0290725700000000, 0.0054997400000000 ] - [ -0.0059328900000000, 0.0187094500000000, -0.0100159000000000 ] - [ -0.0000860800000000, -0.0007871900000000, -0.0009875900000000 ] - [ -0.0001695900000000, -0.0008765400000000, -0.0023923900000000 ] - [ -0.0164520100000000, -0.0039946700000000, 0.0020799500000000 ] - [ 0.0217838400000000, 0.0056789200000000, -0.0083196200000000 ] - [ -0.0006465700000000, -0.0011531400000000, 0.0016162000000000 ] - [ -0.0004792100000000, -0.0006629700000000, 0.0005481600000000 ] - [ -0.0003168000000000, 0.0005205600000000, -0.0002341300000000 ] - [ 0.0009461200000000, -0.0002877700000000, 0.0010724000000000 ] - [ -0.0005317400000000, -0.0008017200000000, 0.0000639800000000 ] - [ -0.0008905200000000, -0.0016749200000000, 0.0003823100000000 ] - [ -0.0017144300000000, -0.0016842700000000, 0.0016034700000000 ] - [ 0.0035907600000000, -0.0046749800000000, 0.0021522700000000 ] - [ -0.0002258500000000, -0.0011684600000000, -0.0001645300000000 ] - [ 0.0004964400000000, -0.0013293200000000, -0.0007299500000000 ] - [ 0.0024917200000000, 0.0032829800000000, 0.0014044900000000 ] - [ 0.0005173000000000, 0.0003687900000000, 0.0008215800000000 ] - [ -0.0031722800000000, -0.0091244600000000, 0.0149581000000000 ] - [ 0.0041093000000000, -0.0012141700000000, 0.0060229400000000 ] - [ -0.0251504100000000, -0.0361192700000000, 0.0332285900000000 ] - [ -0.0015998100000000, -0.0061439700000000, -0.0008787300000000 ] - [ -0.0004704500000000, 0.0150317900000000, 0.0107013500000000 ] - [ 0.0001921500000000, 0.0039249300000000, 0.0017237800000000 ] - [ 0.0006258200000000, 0.0043562800000000, 0.0009622300000000 ] - [ -0.0006131300000000, 0.0028954600000000, 0.0004126000000000 ] - [ -0.0086690800000000, -0.0089332900000000, 0.0020611500000000 ] - [ -0.0168472300000000, -0.0354770500000000, -0.0168955000000000 ] - [ 0.0232292900000000, -0.0528687600000000, 0.0152304600000000 ] - [ 0.0082026000000000, -0.0038002400000000, -0.0029514700000000 ] - [ 0.0013317300000000, 0.0020896000000000, 0.0024525700000000 ] - [ -0.0026345300000000, 0.0035480400000000, 0.0001237600000000 ] - [ 0.0013329500000000, 0.0043155700000000, 0.0024215900000000 ] - [ 0.0016357300000000, 0.0033019000000000, 0.0003529600000000 ] - [ -0.0007158600000000, 0.0021839400000000, 0.0011169900000000 ] - [ 0.0017960800000000, 0.0056998300000000, 0.0030788600000000 ] - [ -0.0516356700000000, -0.0669988200000000, -0.0461918400000000 ] - [ -0.0142505200000000, -0.0061283400000000, 0.0031463500000000 ] - [ 0.0014114500000000, 0.0041554900000000, -0.0023358800000000 ] - [ 0.0001952700000000, 0.0023634900000000, -0.0011778300000000 ] - [ 0.0000155500000000, -0.0013701400000000, 0.0023227600000000 ] - [ -0.0033094800000000, -0.0000984000000000, -0.0018161300000000 ] - [ -0.0076177900000000, -0.0361881900000000, 0.0134900400000000 ] - [ 0.0008891700000000, -0.0053618400000000, -0.0031737000000000 ] - [ -0.0077755100000000, 0.0038630100000000, -0.0054455000000000 ] - [ 0.0034243900000000, 0.0060740000000000, -0.0052397800000000 ] - [ -0.0064684500000000, 0.0024640900000000, 0.0114125100000000 ] - [ 0.0007768900000000, 0.0012207000000000, 0.0002277000000000 ] - [ -0.0003239800000000, 0.0022542300000000, -0.0003129500000000 ] - [ 0.0004261800000000, 0.0023715700000000, 0.0005405000000000 ] - [ 0.0001062000000000, 0.0019724700000000, -0.0002706100000000 ] - [ 0.0025628300000000, 0.0053890600000000, -0.0026449100000000 ] - [ 0.0026344700000000, 0.0021460600000000, -0.0016674700000000 ] - [ -0.0059669200000000, 0.0083444700000000, -0.0030122800000000 ] - [ -0.0018354900000000, 0.0001825800000000, -0.0005928300000000 ] - [ 0.0035272100000000, -0.0024692800000000, -0.0035132500000000 ] - [ -0.0003090200000000, -0.0026761700000000, -0.0032468600000000 ] - [ -0.0038588700000000, -0.0045446600000000, -0.0039639100000000 ] - [ -0.0009923400000000, 0.0152211200000000, 0.0047748700000000 ] - [ 0.0016234500000000, 0.0059562900000000, 0.0017038700000000 ] - [ 0.0096932600000000, -0.0026050700000000, -0.0036334200000000 ] - [ 0.0677411600000000, -0.0978554300000000, 0.0089664800000000 ] - [ -0.0003186500000000, 0.0091193500000000, -0.0014294200000000 ] - [ -0.0009494100000000, 0.0036477000000000, 0.0003237400000000 ] - [ 0.0007341600000000, -0.0057981000000000, 0.0037872100000000 ] - [ 0.0005297700000000, -0.0022894000000000, 0.0019513300000000 ]- atom: 3 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ -0.0180760500000000, 0.0214360000000000, -0.0064747400000000 ] - [ -0.0013784600000000, 0.0081124400000000, -0.0150270800000000 ] - [ 0.2203121500000000, 0.0104132200000000, -0.3632509500000000 ] - [ -0.0125706100000000, -0.0057286000000000, -0.0041764300000000 ] - [ 0.0035007000000000, -0.0055442800000000, 0.0032389300000000 ] - [ -0.0006035700000000, 0.0004482800000000, 0.0006869900000000 ] - [ -0.0106467900000000, -0.0103677500000000, 0.0097114800000000 ] - [ 0.0055837800000000, -0.0038186600000000, 0.0032452900000000 ] - [ 0.0016054500000000, 0.0014370200000000, -0.0005034300000000 ] - [ 0.0007960800000000, 0.0007824100000000, -0.0015861700000000 ] - [ -0.0004193800000000, 0.0212837000000000, 0.0057198500000000 ] - [ -0.0021581500000000, -0.0010985300000000, -0.0007564000000000 ] - [ 0.0009747900000000, -0.0666461600000000, 0.0283412300000000 ] - [ 0.0019648400000000, 0.0039240000000000, 0.0011576600000000 ] - [ -0.0324057200000000, 0.0200737800000000, 0.0638309800000000 ] - [ 0.0083177300000000, -0.0007883100000000, 0.0049504200000000 ] - [ -0.0010951100000000, 0.0004982800000000, 0.0027327600000000 ] - [ 0.0002672000000000, 0.0002259300000000, -0.0000778900000000 ] - [ -0.0002839400000000, -0.0079725800000000, -0.0118393700000000 ] - [ -0.0081529000000000, 0.0040655100000000, 0.0005109400000000 ] - [ 0.0002135800000000, 0.0009595000000000, -0.0025103700000000 ] - [ -0.0008519900000000, 0.0002859300000000, 0.0000342700000000 ] - [ -0.0002638800000000, 0.0007073400000000, 0.0007354700000000 ] - [ 0.0036902400000000, -0.0023947500000000, 0.0019326400000000 ] - [ -0.0008498900000000, 0.0005246800000000, 0.0000923500000000 ] - [ 0.0001045400000000, 0.0005436800000000, -0.0004675200000000 ] - [ -0.0008617500000000, -0.0016608800000000, -0.0008258400000000 ] - [ -0.0015408400000000, 0.0021040800000000, -0.0007459500000000 ] - [ 0.0003279000000000, -0.0000586900000000, 0.0004385900000000 ] - [ -0.0002763600000000, -0.0004747600000000, -0.0000601100000000 ] - [ 0.0031744700000000, 0.0016622500000000, 0.0112492000000000 ] - [ 0.0003359300000000, -0.0019706800000000, 0.0020372500000000 ] - [ 0.0083525100000000, -0.0130668700000000, 0.0007068900000000 ] - [ -0.0020400300000000, -0.0000369900000000, -0.0028754100000000 ] - [ -0.0791052400000000, -0.0131296000000000, 0.1153755500000000 ] - [ 0.0004320700000000, 0.0007583400000000, -0.0008339800000000 ] - [ 0.0005908500000000, -0.0029537300000000, -0.0019323700000000 ] - [ -0.0000482400000000, 0.0002496300000000, 0.0005106700000000 ] - [ 0.0005169200000000, 0.0032673700000000, -0.0003653200000000 ] - [ -0.0009957100000000, 0.0005885400000000, 0.0002592000000000 ] - [ 0.0066884500000000, -0.0012599800000000, 0.0022737100000000 ] - [ -0.0036348200000000, -0.0010361600000000, 0.0301485400000000 ] - [ -0.0196585800000000, 0.0058571000000000, 0.0228955300000000 ] - [ 0.0023725600000000, -0.0004162700000000, 0.0031850800000000 ] - [ -0.0019590300000000, 0.0012453700000000, -0.0019316100000000 ] - [ 0.0002839200000000, 0.0015324800000000, -0.0015810300000000 ] - [ 0.0028760300000000, 0.0032162500000000, -0.0021668300000000 ] - [ -0.0004590400000000, 0.0006257400000000, 0.0000061500000000 ] - [ 0.0024807700000000, -0.0029908900000000, -0.0016931200000000 ] - [ -0.0011174100000000, -0.0017267700000000, 0.0007425800000000 ] - [ -0.0043528900000000, 0.0178891100000000, 0.0407119000000000 ] - [ 0.0055351500000000, -0.0000000200000000, 0.0005230300000000 ] - [ -0.0022667700000000, 0.0031347200000000, 0.0006289700000000 ] - [ 0.0012118700000000, -0.0001433700000000, -0.0007526100000000 ] - [ 0.0023998300000000, 0.0021507100000000, -0.0017071600000000 ] - [ -0.0055742500000000, 0.0019158100000000, -0.0002409300000000 ] - [ -0.0440260600000000, -0.0380911000000000, 0.0826307200000000 ] - [ 0.0009365000000000, 0.0008045600000000, -0.0002688100000000 ] - [ 0.0003574700000000, -0.0010452000000000, 0.0003446200000000 ] - [ 0.0053128100000000, 0.0061105200000000, 0.0118170600000000 ] - [ 0.0046484300000000, -0.0009593400000000, -0.0065889000000000 ] - [ -0.0006080900000000, 0.0004488100000000, -0.0012178600000000 ] - [ -0.0007278500000000, 0.0004390100000000, -0.0012364800000000 ] - [ 0.0003422400000000, 0.0001415500000000, -0.0000422300000000 ] - [ 0.0001835900000000, -0.0002326600000000, 0.0003083000000000 ] - [ -0.0023828300000000, -0.0016679200000000, 0.0022229200000000 ] - [ 0.0005521700000000, -0.0000984100000000, 0.0004463900000000 ] - [ 0.0029622000000000, -0.0036502500000000, -0.0004339600000000 ] - [ -0.0026243000000000, 0.0000920400000000, 0.0007519000000000 ] - [ 0.0071416100000000, -0.0003346900000000, -0.0103062800000000 ] - [ -0.0045518500000000, 0.0002244300000000, -0.0099213300000000 ] - [ -0.0062831600000000, -0.0035740100000000, -0.0112426200000000 ] - [ -0.0005438800000000, -0.0036279800000000, 0.0014826000000000 ] - [ 0.0009430500000000, 0.0007950100000000, 0.0014012700000000 ] - [ -0.0001031600000000, 0.0020066900000000, 0.0041983400000000 ] - [ -0.0368655100000000, 0.0257478900000000, 0.0160231900000000 ] - [ 0.0018547900000000, 0.0105182600000000, -0.0071558600000000 ] - [ -0.0004232900000000, -0.0012655100000000, 0.0002672700000000 ] - [ -0.0010068700000000, 0.0001149900000000, -0.0012388500000000 ] - [ 0.0036491000000000, 0.0104694200000000, -0.0064728700000000 ]- atom: 3 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ 0.0169455800000000, -0.0216687300000000, 0.0052696900000000 ] - [ 0.0001594300000000, -0.0085067200000000, 0.0142150200000000 ] - [ -0.2209542500000000, -0.0096298500000000, 0.3653965300000000 ] - [ 0.0129209500000000, 0.0071871700000000, 0.0054250800000000 ] - [ -0.0046701100000000, 0.0059599200000000, -0.0041717600000000 ] - [ -0.0005351800000000, -0.0001006600000000, -0.0016402700000000 ] - [ 0.0110025000000000, 0.0088913800000000, -0.0084630300000000 ] - [ -0.0052145500000000, 0.0023380300000000, -0.0019756200000000 ] - [ 0.0000778600000000, 0.0000205000000000, -0.0007107600000000 ] - [ 0.0008558300000000, 0.0007036500000000, 0.0003892500000000 ] - [ -0.0009240300000000, -0.0216110000000000, -0.0064300800000000 ] - [ 0.0008967100000000, 0.0006468400000000, -0.0001084600000000 ] - [ 0.0007114700000000, 0.0656384200000000, -0.0297925000000000 ] - [ -0.0002778100000000, -0.0053809100000000, -0.0023074600000000 ] - [ 0.0306831300000000, -0.0197530300000000, -0.0640646600000000 ] - [ -0.0096466200000000, 0.0012529200000000, -0.0058808300000000 ] - [ 0.0005193200000000, -0.0010838400000000, -0.0034149800000000 ] - [ -0.0008325100000000, -0.0008087700000000, -0.0006117800000000 ] - [ 0.0019244200000000, 0.0079699500000000, 0.0117235600000000 ] - [ 0.0098174900000000, -0.0041747200000000, -0.0005000800000000 ] - [ -0.0007843300000000, -0.0003760400000000, 0.0018414300000000 ] - [ 0.0002830700000000, 0.0003014100000000, -0.0007133000000000 ] - [ 0.0019043500000000, -0.0006581800000000, -0.0007857800000000 ] - [ -0.0020408300000000, 0.0024303500000000, -0.0019621700000000 ] - [ -0.0000185600000000, 0.0001848000000000, 0.0000420600000000 ] - [ -0.0009757700000000, 0.0001645700000000, 0.0006053200000000 ] - [ 0.0011722800000000, 0.0018270300000000, 0.0015961500000000 ] - [ 0.0018384900000000, -0.0019140900000000, 0.0015155300000000 ] - [ -0.0011997000000000, -0.0006497100000000, -0.0003078700000000 ] - [ -0.0005636200000000, -0.0002277400000000, 0.0001896500000000 ] - [ -0.0028849600000000, -0.0018513400000000, -0.0105411500000000 ] - [ -0.0000158600000000, 0.0017813500000000, -0.0012517300000000 ] - [ -0.0080630500000000, 0.0127914200000000, 0.0001673700000000 ] - [ 0.0022826600000000, -0.0001467300000000, 0.0038161300000000 ] - [ 0.0830956000000000, 0.0169728600000000, -0.1245777100000000 ] - [ -0.0011967200000000, -0.0004031700000000, 0.0001704300000000 ] - [ -0.0003967900000000, 0.0030833400000000, 0.0027802400000000 ] - [ 0.0002312300000000, -0.0000650800000000, 0.0003791500000000 ] - [ -0.0012612500000000, -0.0036035800000000, -0.0002970300000000 ] - [ 0.0002441200000000, -0.0009480100000000, -0.0009164200000000 ] - [ -0.0070371800000000, 0.0008069700000000, -0.0031199200000000 ] - [ 0.0031657500000000, 0.0004704800000000, -0.0312831600000000 ] - [ 0.0203233200000000, -0.0062873100000000, -0.0226069400000000 ] - [ -0.0018305800000000, 0.0000892600000000, -0.0028992400000000 ] - [ 0.0015786600000000, -0.0008249500000000, 0.0010490300000000 ] - [ -0.0006541600000000, -0.0011140700000000, 0.0007043200000000 ] - [ -0.0023359400000000, -0.0029189100000000, 0.0024820700000000 ] - [ 0.0009895500000000, -0.0003250600000000, 0.0003123500000000 ] - [ -0.0021986300000000, 0.0029241600000000, 0.0012933200000000 ] - [ 0.0013893000000000, 0.0017183600000000, -0.0011379400000000 ] - [ 0.0032971400000000, -0.0170219500000000, -0.0392814700000000 ] - [ -0.0069184600000000, 0.0006354600000000, 0.0004616000000000 ] - [ 0.0025535400000000, -0.0031177000000000, -0.0010515400000000 ] - [ -0.0009388400000000, 0.0001908700000000, 0.0003375600000000 ] - [ -0.0037758300000000, -0.0027555700000000, 0.0027185700000000 ] - [ 0.0041568600000000, -0.0025049300000000, 0.0012365600000000 ] - [ 0.0401925600000000, 0.0352333800000000, -0.0758579600000000 ] - [ -0.0007897800000000, -0.0009351600000000, -0.0000315800000000 ] - [ 0.0004270100000000, 0.0006613200000000, 0.0008797200000000 ] - [ -0.0044877100000000, -0.0065387000000000, -0.0106168200000000 ] - [ -0.0045107900000000, 0.0011294900000000, 0.0062783300000000 ] - [ 0.0007335100000000, -0.0003247600000000, 0.0009154000000000 ] - [ 0.0015764200000000, -0.0000427000000000, 0.0025029800000000 ] - [ 0.0004950600000000, 0.0002589600000000, 0.0013046000000000 ] - [ -0.0013571700000000, -0.0007255400000000, 0.0007105300000000 ] - [ 0.0011983700000000, 0.0007143900000000, -0.0011946600000000 ] - [ 0.0001086300000000, -0.0002462600000000, -0.0015340300000000 ] - [ -0.0022516400000000, 0.0032552900000000, -0.0006533200000000 ] - [ 0.0014557100000000, 0.0008644200000000, 0.0002621200000000 ] - [ -0.0082592900000000, 0.0013204200000000, 0.0112668100000000 ] - [ 0.0052560500000000, 0.0001259800000000, 0.0088673300000000 ] - [ 0.0069989800000000, 0.0039354000000000, 0.0101242800000000 ] - [ 0.0001481700000000, 0.0042006000000000, -0.0013100600000000 ] - [ -0.0013336800000000, -0.0002864700000000, -0.0012690600000000 ] - [ 0.0014191800000000, -0.0024404300000000, -0.0039105800000000 ] - [ 0.0383291900000000, -0.0266483900000000, -0.0154931800000000 ] - [ -0.0022611300000000, -0.0111231300000000, 0.0073134600000000 ] - [ 0.0000284900000000, 0.0007567200000000, -0.0001239100000000 ] - [ 0.0023401100000000, 0.0003312300000000, 0.0014995000000000 ] - [ -0.0023307200000000, -0.0100252000000000, 0.0067577500000000 ]- atom: 9 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ -0.0142679200000000, 0.0127781800000000, 0.0105230200000000 ] - [ 0.0043788000000000, -0.0031999300000000, -0.0029107200000000 ] - [ -0.0019730100000000, 0.0026347500000000, 0.0002616400000000 ] - [ 0.0033163300000000, 0.0006773100000000, 0.0024172000000000 ] - [ 0.0072261900000000, 0.0044294000000000, -0.0149706300000000 ] - [ 0.0173413700000000, 0.0012183600000000, 0.0271609000000000 ] - [ -0.0116720800000000, -0.0122588200000000, -0.0061917200000000 ] - [ 0.0038884600000000, 0.0036520300000000, 0.0041322900000000 ] - [ -0.2394093100000000, -0.0099483600000000, -0.0021399900000000 ] - [ 0.0196445300000000, 0.0008223900000000, -0.0023577400000000 ] - [ 0.0098482000000000, 0.0165001800000000, -0.0171740800000000 ] - [ 0.0093256500000000, -0.0041259500000000, 0.0102240300000000 ] - [ 0.0001614000000000, 0.0007089000000000, -0.0033711600000000 ] - [ 0.0032320400000000, -0.0028017300000000, 0.0026304400000000 ] - [ -0.0016773400000000, 0.0027615500000000, -0.0016871500000000 ] - [ 0.0000930900000000, -0.0002654000000000, -0.0005381500000000 ] - [ 0.0019580600000000, -0.0004920900000000, -0.0043795600000000 ] - [ 0.0008858200000000, -0.0009032000000000, 0.0003873700000000 ] - [ -0.0000692900000000, -0.0006686000000000, 0.0003937100000000 ] - [ 0.0017151400000000, 0.0002372400000000, -0.0004475100000000 ] - [ -0.0018178800000000, -0.0010288200000000, -0.0014423800000000 ] - [ -0.0001906800000000, 0.0009472000000000, 0.0003519200000000 ] - [ 0.0008874700000000, -0.0008997100000000, 0.0001013400000000 ] - [ 0.0007597200000000, 0.0002509500000000, 0.0001274700000000 ] - [ 0.0042171000000000, 0.0011566600000000, 0.0034344100000000 ] - [ 0.0137426500000000, -0.0024455400000000, -0.0099402100000000 ] - [ -0.0030334300000000, -0.0029306900000000, -0.0007857600000000 ] - [ 0.0009065400000000, 0.0006421900000000, 0.0006551000000000 ] - [ -0.0002260000000000, -0.0004502700000000, 0.0001671500000000 ] - [ -0.0015725100000000, -0.0009922800000000, -0.0000739800000000 ] - [ 0.0000445300000000, -0.0000499500000000, 0.0002839700000000 ] - [ 0.0003277300000000, 0.0000564600000000, 0.0006160400000000 ] - [ 0.0027984500000000, -0.0016794800000000, 0.0016941900000000 ] - [ -0.0015488100000000, 0.0008360400000000, -0.0001056900000000 ] - [ -0.0001003300000000, -0.0005787100000000, 0.0004051700000000 ] - [ -0.0006525700000000, 0.0010917100000000, -0.0016407600000000 ] - [ -0.0010053100000000, 0.0011264900000000, 0.0102461500000000 ] - [ -0.0014145800000000, -0.0015461800000000, -0.0038641600000000 ] - [ 0.0227462700000000, 0.0240371300000000, 0.0090419900000000 ] - [ -0.0026522600000000, -0.0000177900000000, 0.0003604600000000 ] - [ -0.0012007200000000, -0.0035975200000000, -0.0017193400000000 ] - [ -0.0000422400000000, 0.0002701600000000, -0.0002428100000000 ] - [ 0.0007725700000000, -0.0005797300000000, -0.0001344500000000 ] - [ -0.0005142200000000, 0.0002058000000000, 0.0000773200000000 ] - [ -0.0021677800000000, 0.0009819300000000, 0.0008218500000000 ] - [ 0.0013932300000000, -0.0042818700000000, -0.0039073000000000 ] - [ 0.0003374000000000, 0.0039102900000000, 0.0079105400000000 ] - [ -0.0049636900000000, -0.0031673000000000, -0.0025909000000000 ] - [ 0.0048882400000000, -0.0070647600000000, -0.0073072600000000 ] - [ -0.0035648300000000, 0.0021054900000000, 0.0018076400000000 ] - [ 0.0007142000000000, -0.0004974500000000, 0.0000996200000000 ] - [ -0.0019950600000000, 0.0005185500000000, 0.0005478700000000 ] - [ 0.0001315500000000, 0.0006875300000000, 0.0009558400000000 ] - [ -0.0005237400000000, 0.0003387300000000, -0.0050003300000000 ] - [ 0.0025700100000000, 0.0005214800000000, 0.0004495400000000 ] - [ -0.0014604800000000, -0.0010922200000000, -0.0003368000000000 ] - [ 0.0007470300000000, -0.0004851300000000, -0.0005234600000000 ] - [ -0.0009316800000000, 0.0000149400000000, 0.0006049200000000 ] - [ 0.0015757100000000, -0.0003612900000000, -0.0011067100000000 ] - [ 0.0006689900000000, 0.0005719600000000, 0.0018676800000000 ] - [ -0.0042970300000000, 0.0012567300000000, 0.0084455400000000 ] - [ 0.0011569100000000, 0.0000287500000000, -0.0049820000000000 ] - [ -0.0027965700000000, 0.0000682400000000, 0.0003263000000000 ] - [ 0.0433773000000000, -0.0182242600000000, 0.0529536900000000 ] - [ -0.0100804100000000, 0.0000862200000000, 0.0008963800000000 ] - [ 0.1170084500000000, 0.0110950700000000, -0.0426497800000000 ] - [ -0.0029936800000000, 0.0058180100000000, -0.0071139000000000 ] - [ -0.0027245100000000, -0.0010660600000000, -0.0002685500000000 ] - [ -0.0008256700000000, 0.0006116100000000, 0.0001223200000000 ] - [ -0.0001966700000000, 0.0003473300000000, 0.0009291200000000 ] - [ 0.0002563400000000, 0.0002158800000000, -0.0004702300000000 ] - [ 0.0005616100000000, -0.0001001000000000, -0.0003668900000000 ] - [ 0.0231702600000000, -0.0147257100000000, -0.0148831100000000 ] - [ -0.0030968000000000, -0.0001676200000000, 0.0003601600000000 ] - [ -0.0005305000000000, 0.0014284200000000, -0.0002983700000000 ] - [ 0.0001634100000000, -0.0031866100000000, -0.0007731400000000 ] - [ -0.0006248600000000, -0.0016120800000000, 0.0038648400000000 ] - [ -0.0006362900000000, 0.0005644100000000, -0.0010156900000000 ] - [ 0.0006321800000000, 0.0001987100000000, -0.0000738000000000 ] - [ -0.0001201600000000, -0.0009181800000000, 0.0011290300000000 ]- atom: 9 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ 0.0133812200000000, -0.0131256900000000, -0.0116000500000000 ] - [ -0.0055085800000000, 0.0027660100000000, 0.0019086400000000 ] - [ 0.0022609200000000, -0.0011645700000000, 0.0009755100000000 ] - [ -0.0029637100000000, 0.0007619600000000, -0.0011928600000000 ] - [ -0.0084567100000000, -0.0041525500000000, 0.0141509400000000 ] - [ -0.0186266500000000, -0.0009654600000000, -0.0280297500000000 ] - [ 0.0123200800000000, 0.0108714100000000, 0.0073004000000000 ] - [ -0.0035658500000000, -0.0050611300000000, -0.0028655100000000 ] - [ 0.2345755200000000, 0.0108892800000000, 0.0031902900000000 ] - [ -0.0180796500000000, 0.0006589900000000, 0.0012285500000000 ] - [ -0.0111708400000000, -0.0169146800000000, 0.0163556200000000 ] - [ -0.0105944300000000, 0.0037493300000000, -0.0111417500000000 ] - [ 0.0015019500000000, -0.0022407700000000, 0.0022105300000000 ] - [ -0.0015776100000000, 0.0013497700000000, -0.0038293500000000 ] - [ 0.0004211100000000, -0.0023774800000000, 0.0008531700000000 ] - [ -0.0013706600000000, 0.0006852100000000, -0.0003120300000000 ] - [ -0.0025329300000000, -0.0000952100000000, 0.0037462200000000 ] - [ -0.0014586400000000, 0.0003137600000000, -0.0010393300000000 ] - [ 0.0017217600000000, 0.0006212100000000, -0.0004421500000000 ] - [ -0.0000655700000000, -0.0002859000000000, 0.0003975500000000 ] - [ 0.0012288200000000, 0.0016157600000000, 0.0008038100000000 ] - [ -0.0003812500000000, -0.0003800800000000, -0.0010613100000000 ] - [ 0.0007688700000000, 0.0009586200000000, -0.0001579300000000 ] - [ 0.0008648700000000, -0.0002000300000000, -0.0001682800000000 ] - [ -0.0051322500000000, -0.0004733400000000, -0.0033607000000000 ] - [ -0.0142733400000000, 0.0031462400000000, 0.0097264400000000 ] - [ 0.0033781400000000, 0.0030851900000000, 0.0016130900000000 ] - [ -0.0005917200000000, -0.0004641400000000, 0.0001157800000000 ] - [ -0.0006499700000000, -0.0002583100000000, -0.0000258300000000 ] - [ 0.0007155100000000, 0.0002871800000000, 0.0002087300000000 ] - [ 0.0002689200000000, -0.0001228100000000, 0.0004953500000000 ] - [ -0.0000219700000000, -0.0002331100000000, 0.0001573400000000 ] - [ -0.0026328900000000, 0.0015025800000000, -0.0007903500000000 ] - [ 0.0017298400000000, -0.0009881800000000, 0.0009831700000000 ] - [ -0.0006405900000000, 0.0009558600000000, -0.0010827400000000 ] - [ -0.0001011200000000, -0.0007329000000000, 0.0009883400000000 ] - [ 0.0011899400000000, -0.0009742900000000, -0.0094000400000000 ] - [ 0.0016114600000000, 0.0017320100000000, 0.0047673900000000 ] - [ -0.0238047300000000, -0.0244582900000000, -0.0096658800000000 ] - [ 0.0019254300000000, -0.0003758300000000, -0.0010552400000000 ] - [ 0.0008193100000000, 0.0032004100000000, 0.0008597700000000 ] - [ -0.0003108500000000, -0.0006672100000000, -0.0006226200000000 ] - [ -0.0001848300000000, 0.0001993000000000, 0.0004373500000000 ] - [ 0.0010364900000000, -0.0004879100000000, 0.0002517500000000 ] - [ 0.0018074700000000, -0.0005700500000000, -0.0017095300000000 ] - [ -0.0017842100000000, 0.0047327300000000, 0.0030706100000000 ] - [ 0.0001090000000000, -0.0037083300000000, -0.0076774600000000 ] - [ 0.0055345000000000, 0.0034929500000000, 0.0028530900000000 ] - [ -0.0047413300000000, 0.0070708000000000, 0.0069598000000000 ] - [ 0.0038085700000000, -0.0020985200000000, -0.0022136600000000 ] - [ -0.0020950500000000, 0.0010993400000000, 0.0009141700000000 ] - [ 0.0006116000000000, 0.0001045000000000, 0.0004760900000000 ] - [ 0.0001659700000000, -0.0006272700000000, -0.0014112900000000 ] - [ 0.0007849700000000, -0.0003071500000000, 0.0046911600000000 ] - [ -0.0040099500000000, -0.0011483300000000, 0.0005753300000000 ] - [ 0.0000967500000000, 0.0004633600000000, 0.0013483700000000 ] - [ -0.0006058600000000, 0.0003634600000000, 0.0002246400000000 ] - [ 0.0010603500000000, -0.0001353900000000, -0.0008939600000000 ] - [ -0.0007758900000000, -0.0000296100000000, 0.0023593200000000 ] - [ 0.0001782700000000, -0.0009612700000000, -0.0005888200000000 ] - [ 0.0044252800000000, -0.0011552700000000, -0.0087645500000000 ] - [ -0.0010210800000000, 0.0000938500000000, 0.0046821800000000 ] - [ 0.0036450100000000, 0.0003345200000000, 0.0008884700000000 ] - [ -0.0419852000000000, 0.0179482200000000, -0.0501065200000000 ] - [ 0.0089930300000000, -0.0010542600000000, 0.0001368000000000 ] - [ -0.1121003200000000, -0.0104786000000000, 0.0402594600000000 ] - [ 0.0035808000000000, -0.0062145600000000, 0.0060059400000000 ] - [ 0.0034324700000000, 0.0007231500000000, -0.0008011400000000 ] - [ -0.0003392600000000, 0.0003366900000000, 0.0008903100000000 ] - [ -0.0009954700000000, 0.0006191200000000, 0.0000949700000000 ] - [ 0.0004098100000000, 0.0001279600000000, -0.0006219300000000 ] - [ 0.0001127900000000, 0.0004531000000000, -0.0007242100000000 ] - [ -0.0237398200000000, 0.0151043100000000, 0.0149219500000000 ] - [ 0.0027158000000000, 0.0007086200000000, -0.0001919000000000 ] - [ 0.0018453900000000, -0.0018691500000000, 0.0005586800000000 ] - [ 0.0011620900000000, 0.0027349200000000, 0.0010360800000000 ] - [ 0.0002296900000000, 0.0011272900000000, -0.0037630400000000 ] - [ 0.0003147100000000, -0.0011293100000000, 0.0011547600000000 ] - [ 0.0006817300000000, 0.0002350500000000, 0.0003322400000000 ] - [ 0.0014645600000000, 0.0014629000000000, -0.0008484500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0174612700000000, 0.0679908500000000, 0.0099738600000000 ] - [ -0.0038265600000000, 0.0018793600000000, 0.0000070800000000 ] - [ -0.0044427500000000, 0.0159263800000000, -0.0012859700000000 ] - [ 0.0028451200000000, 0.0137862100000000, 0.0022373400000000 ] - [ -0.0105001600000000, -0.0217455000000000, 0.0074944700000000 ] - [ -0.0092417100000000, -0.0277709600000000, -0.0191647700000000 ] - [ -0.0211116500000000, 0.0250989500000000, 0.0651146400000000 ] - [ 0.0030368500000000, -0.0033817200000000, -0.0031013200000000 ] - [ -0.0104312600000000, -0.2132155500000000, 0.0011702900000000 ] - [ 0.0008983600000000, -0.0083856500000000, -0.0019200500000000 ] - [ 0.0038248900000000, 0.0035910900000000, -0.0020248600000000 ] - [ -0.0162890600000000, 0.0041683600000000, -0.0107295100000000 ] - [ -0.0006555200000000, 0.0009357100000000, 0.0026686100000000 ] - [ 0.0028758500000000, 0.0072726400000000, 0.0052425800000000 ] - [ 0.0003256300000000, 0.0276144600000000, -0.0087981000000000 ] - [ -0.0009226600000000, 0.0094950700000000, -0.0017438900000000 ] - [ 0.0030223400000000, -0.0000282500000000, -0.0078284300000000 ] - [ -0.0020015200000000, 0.0000424300000000, -0.0004815500000000 ] - [ 0.0019496000000000, 0.0014450900000000, -0.0007718900000000 ] - [ 0.0010308100000000, 0.0002284500000000, 0.0000648400000000 ] - [ -0.0023349100000000, -0.0041327000000000, 0.0124845100000000 ] - [ -0.0000530200000000, -0.0013649400000000, -0.0004570900000000 ] - [ -0.0037145900000000, -0.0011452500000000, 0.0020281400000000 ] - [ 0.0035942400000000, 0.0020501700000000, 0.0005294400000000 ] - [ 0.0014691000000000, -0.0024382600000000, 0.0013379500000000 ] - [ -0.0160184200000000, -0.0098668800000000, 0.0068727400000000 ] - [ -0.0037827600000000, 0.0105682000000000, -0.0094298300000000 ] - [ 0.0003519100000000, 0.0004633400000000, 0.0002995300000000 ] - [ -0.0007537000000000, -0.0004399200000000, 0.0004165100000000 ] - [ 0.0002135400000000, 0.0001954300000000, -0.0017627300000000 ] - [ 0.0000433800000000, 0.0009027000000000, 0.0009547100000000 ] - [ 0.0011554700000000, 0.0017214200000000, 0.0011162500000000 ] - [ 0.0007770300000000, -0.0181095200000000, 0.0101764700000000 ] - [ -0.0002186300000000, -0.0031586500000000, 0.0018410000000000 ] - [ 0.0005095700000000, -0.0023767000000000, -0.0004870100000000 ] - [ -0.0012637200000000, -0.0049616100000000, 0.0012690500000000 ] - [ 0.0011549900000000, 0.0034308700000000, -0.0000775000000000 ] - [ 0.0006425200000000, 0.0061008200000000, 0.0031975600000000 ] - [ 0.0318235800000000, 0.0697249800000000, 0.0028871200000000 ] - [ 0.0007207600000000, 0.0019235900000000, 0.0003823300000000 ] - [ -0.0040107300000000, -0.0089545200000000, -0.0018553000000000 ] - [ -0.0000188900000000, -0.0029721400000000, -0.0002039500000000 ] - [ 0.0067904500000000, -0.0134594000000000, -0.0022510200000000 ] - [ -0.0003939900000000, -0.0017308900000000, 0.0003837000000000 ] - [ 0.0020643300000000, 0.0009866200000000, -0.0002772800000000 ] - [ -0.0080635800000000, 0.0127478400000000, -0.0089903000000000 ] - [ 0.0148629900000000, 0.0148574700000000, -0.0091512100000000 ] - [ 0.0026743500000000, 0.0074295100000000, 0.0004707500000000 ] - [ -0.0061143400000000, -0.0035636400000000, 0.0017063800000000 ] - [ 0.0041594800000000, 0.0004406300000000, -0.0012910900000000 ] - [ -0.0017669400000000, -0.0039986800000000, 0.0003632100000000 ] - [ -0.0005481100000000, -0.0025222600000000, -0.0000057700000000 ] - [ 0.0033313500000000, 0.0040962400000000, -0.0089374400000000 ] - [ 0.0001976300000000, 0.0032572700000000, 0.0040059100000000 ] - [ 0.0094860000000000, -0.0081822900000000, -0.0043073200000000 ] - [ -0.0037554700000000, -0.0013959900000000, 0.0004809500000000 ] - [ -0.0002924500000000, -0.0050801100000000, 0.0007065600000000 ] - [ 0.0004979400000000, -0.0023266400000000, -0.0006658100000000 ] - [ -0.0095642100000000, -0.0050799400000000, -0.0130467600000000 ] - [ 0.0018884500000000, -0.0007197200000000, -0.0000698500000000 ] - [ 0.0000433900000000, -0.0001114900000000, -0.0029270700000000 ] - [ -0.0011753000000000, -0.0005770200000000, 0.0041806900000000 ] - [ 0.0012615000000000, 0.0038461300000000, 0.0004779100000000 ] - [ -0.0159087000000000, 0.0443356800000000, -0.0288279900000000 ] - [ 0.0007126900000000, 0.0027545700000000, -0.0005746500000000 ] - [ 0.0298666900000000, 0.0347344100000000, -0.0107905600000000 ] - [ 0.0150470000000000, 0.0026581300000000, 0.0117859900000000 ] - [ -0.0001265100000000, 0.0001971600000000, -0.0015460200000000 ] - [ 0.0009656000000000, -0.0014358400000000, -0.0012919600000000 ] - [ -0.0011905400000000, -0.0001704600000000, 0.0007032300000000 ] - [ -0.0000920600000000, -0.0019326300000000, -0.0013147200000000 ] - [ -0.0017727800000000, -0.0055662200000000, -0.0013165500000000 ] - [ -0.0153146300000000, 0.0084332900000000, 0.0018372900000000 ] - [ -0.0006054800000000, 0.0041368300000000, 0.0010580800000000 ] - [ 0.0031277100000000, -0.0087289700000000, 0.0000315300000000 ] - [ 0.0009233200000000, -0.0046400500000000, -0.0005334400000000 ] - [ -0.0015974000000000, 0.0061457700000000, 0.0025475400000000 ] - [ 0.0018376200000000, 0.0003852900000000, 0.0023055900000000 ] - [ 0.0021591300000000, -0.0032029800000000, 0.0005693600000000 ] - [ -0.0017497100000000, -0.0191254900000000, -0.0031411500000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0186455400000000, -0.0689768600000000, -0.0112654900000000 ] - [ 0.0026877400000000, -0.0022182300000000, -0.0009715000000000 ] - [ 0.0048095900000000, -0.0144876900000000, 0.0025060600000000 ] - [ -0.0025334800000000, -0.0123306900000000, -0.0010135700000000 ] - [ 0.0093728000000000, 0.0221522600000000, -0.0084286600000000 ] - [ 0.0080015900000000, 0.0279344100000000, 0.0180266600000000 ] - [ 0.0213092300000000, -0.0263013300000000, -0.0633889500000000 ] - [ -0.0026740900000000, 0.0018624200000000, 0.0043363500000000 ] - [ 0.0104161100000000, 0.2117234500000000, -0.0043821900000000 ] - [ 0.0007234600000000, 0.0098945800000000, 0.0007345800000000 ] - [ -0.0051067800000000, -0.0041495500000000, 0.0012007900000000 ] - [ 0.0148773200000000, -0.0045907800000000, 0.0097615100000000 ] - [ 0.0023223300000000, -0.0024116300000000, -0.0038407900000000 ] - [ -0.0012252600000000, -0.0086916000000000, -0.0065037800000000 ] - [ -0.0016019300000000, -0.0272864900000000, 0.0080022300000000 ] - [ -0.0003586900000000, -0.0090673700000000, 0.0008975000000000 ] - [ -0.0036341700000000, -0.0005540800000000, 0.0072481700000000 ] - [ 0.0014371900000000, -0.0006197800000000, -0.0001783100000000 ] - [ -0.0002957000000000, -0.0014884200000000, 0.0007167100000000 ] - [ 0.0006125100000000, -0.0002806600000000, -0.0001119600000000 ] - [ 0.0017755300000000, 0.0047492700000000, -0.0131998500000000 ] - [ -0.0005192800000000, 0.0019383800000000, -0.0002359700000000 ] - [ 0.0053333600000000, 0.0011867100000000, -0.0020729300000000 ] - [ -0.0019414300000000, -0.0019965900000000, -0.0005754900000000 ] - [ -0.0023243000000000, 0.0031617900000000, -0.0012020900000000 ] - [ 0.0151206700000000, 0.0106273300000000, -0.0067427800000000 ] - [ 0.0040266000000000, -0.0102058600000000, 0.0101004600000000 ] - [ -0.0000395500000000, -0.0002954700000000, 0.0004762700000000 ] - [ -0.0001235300000000, -0.0002609100000000, -0.0002789300000000 ] - [ -0.0010788100000000, -0.0008982400000000, 0.0019133100000000 ] - [ 0.0002683400000000, -0.0010766500000000, -0.0001755700000000 ] - [ -0.0008465500000000, -0.0018997600000000, -0.0003354400000000 ] - [ -0.0005960400000000, 0.0180483100000000, -0.0093151000000000 ] - [ 0.0004102400000000, 0.0029803400000000, -0.0009543500000000 ] - [ -0.0012561000000000, 0.0027465100000000, -0.0001854200000000 ] - [ 0.0005165300000000, 0.0053108700000000, -0.0019181500000000 ] - [ -0.0009651200000000, -0.0032437500000000, 0.0009573000000000 ] - [ -0.0004475200000000, -0.0058924400000000, -0.0022797400000000 ] - [ -0.0315736100000000, -0.0654991300000000, -0.0016065600000000 ] - [ -0.0014648700000000, -0.0022774000000000, -0.0010503300000000 ] - [ 0.0036574700000000, 0.0085636200000000, 0.0010036900000000 ] - [ -0.0003554000000000, 0.0025549400000000, -0.0006663600000000 ] - [ -0.0062385900000000, 0.0131295800000000, 0.0025786200000000 ] - [ 0.0009339900000000, 0.0014253800000000, -0.0000611500000000 ] - [ -0.0024719200000000, -0.0005353200000000, -0.0005928100000000 ] - [ 0.0076970200000000, -0.0122926000000000, 0.0081128300000000 ] - [ -0.0142705900000000, -0.0144627500000000, 0.0094251000000000 ] - [ -0.0021053300000000, -0.0070747600000000, -0.0001540200000000 ] - [ 0.0063292300000000, 0.0033474500000000, -0.0021335500000000 ] - [ -0.0039114300000000, -0.0004986000000000, 0.0008696100000000 ] - [ 0.0003716700000000, 0.0046071700000000, 0.0006582300000000 ] - [ -0.0008241200000000, 0.0031357500000000, 0.0010242300000000 ] - [ -0.0030603500000000, -0.0040664500000000, 0.0085484300000000 ] - [ 0.0000723000000000, -0.0032155300000000, -0.0043377300000000 ] - [ -0.0108543900000000, 0.0075824700000000, 0.0052667200000000 ] - [ 0.0023591300000000, 0.0007867300000000, 0.0005330500000000 ] - [ 0.0004151900000000, 0.0049507100000000, -0.0009873300000000 ] - [ -0.0003575800000000, 0.0022024300000000, 0.0003674900000000 ] - [ 0.0104302900000000, 0.0047206800000000, 0.0143711000000000 ] - [ -0.0010545400000000, 0.0003126400000000, 0.0013264600000000 ] - [ 0.0001164300000000, 0.0002475800000000, 0.0025932600000000 ] - [ 0.0012930500000000, 0.0007110300000000, -0.0044498000000000 ] - [ -0.0004253400000000, -0.0034608400000000, 0.0007649900000000 ] - [ 0.0173413500000000, -0.0438774800000000, 0.0310848400000000 ] - [ -0.0018890100000000, -0.0037053800000000, 0.0015855600000000 ] - [ -0.0310584300000000, -0.0358147600000000, 0.0118440100000000 ] - [ -0.0142673300000000, -0.0028334900000000, -0.0128702300000000 ] - [ 0.0008138100000000, -0.0005189700000000, 0.0004509200000000 ] - [ -0.0021340600000000, 0.0023736900000000, 0.0023118800000000 ] - [ 0.0000166600000000, 0.0011200200000000, 0.0003057500000000 ] - [ 0.0007664900000000, 0.0022755400000000, 0.0002235700000000 ] - [ 0.0024480400000000, 0.0059222000000000, 0.0002189800000000 ] - [ 0.0152954800000000, -0.0094161300000000, -0.0025788600000000 ] - [ 0.0002225700000000, -0.0036521600000000, -0.0009107700000000 ] - [ -0.0017866200000000, 0.0082700500000000, 0.0002442700000000 ] - [ 0.0003961900000000, 0.0042184500000000, 0.0008036100000000 ] - [ 0.0012237900000000, -0.0067109700000000, -0.0024380900000000 ] - [ -0.0021576500000000, -0.0009890300000000, -0.0021085200000000 ] - [ -0.0008297900000000, 0.0036622000000000, -0.0003143300000000 ] - [ 0.0030835200000000, 0.0196896400000000, 0.0034223300000000 ]- atom: 9 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ 0.0228130300000000, 0.0200559000000000, -0.0129098000000000 ] - [ -0.0046893100000000, 0.0006709600000000, -0.0000652000000000 ] - [ -0.0025521600000000, 0.0035363200000000, -0.0013031200000000 ] - [ 0.0002599200000000, 0.0008410900000000, -0.0003028300000000 ] - [ -0.0197789700000000, -0.0131038000000000, 0.0219282500000000 ] - [ 0.0246453900000000, 0.0033331700000000, 0.0305100600000000 ] - [ -0.0025453200000000, 0.0379702500000000, 0.0278483000000000 ] - [ 0.0009236900000000, 0.0039403600000000, 0.0021528700000000 ] - [ 0.1155949000000000, 0.0084040100000000, -0.1958169200000000 ] - [ -0.0102609300000000, -0.0004366300000000, -0.0064656200000000 ] - [ -0.0150430400000000, -0.0170933800000000, 0.0210193700000000 ] - [ 0.0079664900000000, 0.0007394900000000, 0.0078489800000000 ] - [ -0.0012573100000000, -0.0043474700000000, 0.0063352900000000 ] - [ 0.0023675000000000, -0.0047542200000000, 0.0065267100000000 ] - [ 0.0006118300000000, 0.0068904800000000, -0.0034478200000000 ] - [ -0.0008175700000000, 0.0018523000000000, -0.0014844200000000 ] - [ -0.0040161800000000, -0.0026065000000000, -0.0008586200000000 ] - [ 0.0010991700000000, -0.0016511500000000, -0.0021643400000000 ] - [ 0.0015299300000000, 0.0000223400000000, -0.0001800700000000 ] - [ 0.0004932000000000, -0.0000223100000000, 0.0002623700000000 ] - [ -0.0007438900000000, 0.0022308400000000, 0.0087719900000000 ] - [ -0.0005817600000000, 0.0005343100000000, 0.0011194100000000 ] - [ -0.0010502000000000, 0.0004649200000000, 0.0005956400000000 ] - [ 0.0018233300000000, 0.0007489600000000, 0.0001719700000000 ] - [ -0.0002684200000000, 0.0001415700000000, -0.0010750600000000 ] - [ -0.0204347600000000, 0.0022867700000000, 0.0100094100000000 ] - [ -0.0002908700000000, -0.0009003200000000, -0.0045549100000000 ] - [ -0.0004235500000000, -0.0003586600000000, -0.0003616400000000 ] - [ 0.0001859900000000, -0.0008062600000000, 0.0001492800000000 ] - [ -0.0006757700000000, -0.0023179400000000, 0.0006296500000000 ] - [ 0.0001187900000000, 0.0001426700000000, 0.0007809500000000 ] - [ 0.0004653000000000, 0.0003391400000000, 0.0006102700000000 ] - [ -0.0012495200000000, -0.0052660100000000, 0.0059839000000000 ] - [ 0.0008570000000000, -0.0007523900000000, 0.0010911100000000 ] - [ 0.0002478900000000, 0.0014343700000000, -0.0022642900000000 ] - [ -0.0009279800000000, 0.0008565900000000, -0.0013077800000000 ] - [ 0.0025573000000000, -0.0006146500000000, -0.0110499300000000 ] - [ -0.0027182800000000, -0.0012409900000000, -0.0030967600000000 ] - [ -0.0025828000000000, 0.0024732200000000, 0.0123631300000000 ] - [ 0.0002018600000000, 0.0003856600000000, 0.0016906500000000 ] - [ -0.0001572200000000, 0.0005846900000000, 0.0006534800000000 ] - [ 0.0005565700000000, -0.0003953800000000, -0.0000270500000000 ] - [ 0.0037593100000000, -0.0075431900000000, -0.0010678300000000 ] - [ 0.0004438900000000, -0.0002384400000000, 0.0001254900000000 ] - [ 0.0022725600000000, -0.0007730000000000, -0.0041275100000000 ] - [ -0.0030534500000000, -0.0048541800000000, -0.0080468600000000 ] - [ 0.0101734900000000, 0.0004666800000000, -0.0084869100000000 ] - [ -0.0056999400000000, -0.0046367900000000, 0.0002878400000000 ] - [ -0.0070229300000000, 0.0017668800000000, 0.0116841000000000 ] - [ 0.0022105000000000, -0.0008836000000000, 0.0013109300000000 ] - [ -0.0010349100000000, 0.0004016700000000, 0.0006950400000000 ] - [ -0.0007921700000000, 0.0006684100000000, 0.0003415500000000 ] - [ 0.0028981300000000, 0.0001434800000000, -0.0067490000000000 ] - [ -0.0005713300000000, 0.0015125200000000, -0.0051347000000000 ] - [ 0.0011797100000000, -0.0048397200000000, -0.0003714600000000 ] - [ -0.0011068800000000, -0.0011060200000000, 0.0007145400000000 ] - [ -0.0009128700000000, -0.0010007000000000, 0.0019653000000000 ] - [ 0.0000303000000000, -0.0002984800000000, 0.0005053800000000 ] - [ -0.0070894400000000, -0.0026449900000000, -0.0070077300000000 ] - [ 0.0011833900000000, -0.0009232500000000, -0.0011302800000000 ] - [ 0.0065398100000000, -0.0020624100000000, -0.0116855900000000 ] - [ 0.0007688000000000, -0.0004448600000000, -0.0030331500000000 ] - [ 0.0046864300000000, 0.0016070200000000, 0.0032812800000000 ] - [ 0.0187773500000000, -0.0224947100000000, 0.0523288200000000 ] - [ 0.0021066500000000, -0.0005500900000000, 0.0014685600000000 ] - [ -0.0911105600000000, -0.0068720400000000, 0.0521565300000000 ] - [ -0.0076311800000000, -0.0029446100000000, 0.0020923100000000 ] - [ 0.0035712800000000, 0.0009014700000000, -0.0013550800000000 ] - [ -0.0008471800000000, 0.0015151800000000, 0.0000038900000000 ] - [ 0.0001400900000000, 0.0014224500000000, -0.0002265500000000 ] - [ 0.0003553700000000, -0.0001952500000000, -0.0007360000000000 ] - [ -0.0003887300000000, -0.0013264600000000, -0.0006572600000000 ] - [ -0.0275985000000000, 0.0033484500000000, 0.0211361000000000 ] - [ 0.0009619000000000, 0.0007926900000000, -0.0009486000000000 ] - [ -0.0008933400000000, 0.0009517900000000, 0.0003456000000000 ] - [ 0.0013750100000000, 0.0017590500000000, 0.0010279900000000 ] - [ 0.0033576200000000, 0.0051453500000000, -0.0047167300000000 ] - [ -0.0053427200000000, 0.0066437100000000, -0.0048616100000000 ] - [ 0.0014801600000000, -0.0006509400000000, -0.0002719500000000 ] - [ 0.0005710600000000, -0.0059754100000000, -0.0011733200000000 ]- atom: 9 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ -0.0239971400000000, -0.0204778600000000, 0.0119842400000000 ] - [ 0.0035711600000000, -0.0010494200000000, -0.0008826900000000 ] - [ 0.0028564800000000, -0.0020786000000000, 0.0025652100000000 ] - [ 0.0001043500000000, 0.0006035000000000, 0.0015462400000000 ] - [ 0.0183817900000000, 0.0132998100000000, -0.0227254500000000 ] - [ -0.0257540000000000, -0.0030741700000000, -0.0315339700000000 ] - [ 0.0032773500000000, -0.0389589600000000, -0.0267070300000000 ] - [ -0.0006671800000000, -0.0053559200000000, -0.0009279700000000 ] - [ -0.1215975400000000, -0.0070154100000000, 0.1964459200000000 ] - [ 0.0118874600000000, 0.0019409500000000, 0.0052386700000000 ] - [ 0.0137597500000000, 0.0167222400000000, -0.0217826800000000 ] - [ -0.0091959100000000, -0.0011654500000000, -0.0086900200000000 ] - [ 0.0029371100000000, 0.0027733300000000, -0.0074777300000000 ] - [ -0.0007039900000000, 0.0032969300000000, -0.0077373400000000 ] - [ -0.0018663600000000, -0.0065093000000000, 0.0026043300000000 ] - [ -0.0004636200000000, -0.0014236100000000, 0.0006220900000000 ] - [ 0.0034373300000000, 0.0019744700000000, 0.0001549000000000 ] - [ -0.0016819400000000, 0.0010716800000000, 0.0014988900000000 ] - [ 0.0001143800000000, -0.0000741200000000, 0.0001342600000000 ] - [ 0.0011630300000000, -0.0000256400000000, -0.0003127300000000 ] - [ 0.0001624500000000, -0.0016780700000000, -0.0094924700000000 ] - [ 0.0000125600000000, 0.0000453300000000, -0.0018046500000000 ] - [ 0.0026968100000000, -0.0003969900000000, -0.0006528400000000 ] - [ -0.0001889500000000, -0.0007062200000000, -0.0002201700000000 ] - [ -0.0005766500000000, 0.0005700600000000, 0.0012112000000000 ] - [ 0.0201395400000000, -0.0015879100000000, -0.0101000000000000 ] - [ 0.0006195400000000, 0.0010427400000000, 0.0053886100000000 ] - [ 0.0007368200000000, 0.0005338100000000, 0.0011375700000000 ] - [ -0.0010648400000000, 0.0000965700000000, -0.0000134900000000 ] - [ -0.0001800000000000, 0.0016015800000000, -0.0004944500000000 ] - [ 0.0001926300000000, -0.0003153300000000, -0.0000044700000000 ] - [ -0.0001574700000000, -0.0005169500000000, 0.0001652400000000 ] - [ 0.0014393000000000, 0.0050999700000000, -0.0050880700000000 ] - [ -0.0006755700000000, 0.0005784300000000, -0.0002045700000000 ] - [ -0.0009945300000000, -0.0010465800000000, 0.0015790500000000 ] - [ 0.0001758300000000, -0.0004925000000000, 0.0006465100000000 ] - [ -0.0023714300000000, 0.0007464700000000, 0.0118905800000000 ] - [ 0.0029072800000000, 0.0014135700000000, 0.0039781200000000 ] - [ 0.0016820000000000, -0.0028865100000000, -0.0129106000000000 ] - [ -0.0009304300000000, -0.0007599700000000, -0.0023550900000000 ] - [ -0.0002156100000000, -0.0009980200000000, -0.0015281400000000 ] - [ -0.0009249300000000, -0.0000197300000000, -0.0008507900000000 ] - [ -0.0031854800000000, 0.0072025000000000, 0.0013642800000000 ] - [ 0.0000789800000000, -0.0000516100000000, 0.0001972200000000 ] - [ -0.0025871000000000, 0.0011667900000000, 0.0032586400000000 ] - [ 0.0026240700000000, 0.0052767100000000, 0.0072033900000000 ] - [ -0.0096426300000000, -0.0002065000000000, 0.0088369500000000 ] - [ 0.0062826200000000, 0.0049650600000000, 0.0000250900000000 ] - [ 0.0072467300000000, -0.0018400000000000, -0.0120752900000000 ] - [ -0.0019480800000000, 0.0008511000000000, -0.0017442100000000 ] - [ -0.0003373300000000, 0.0002082000000000, 0.0003188500000000 ] - [ -0.0005984100000000, -0.0000473800000000, 0.0006805500000000 ] - [ -0.0026134700000000, -0.0000777000000000, 0.0063399000000000 ] - [ 0.0008291500000000, -0.0014656600000000, 0.0047578900000000 ] - [ -0.0026262000000000, 0.0041982600000000, 0.0014190900000000 ] - [ -0.0002573900000000, 0.0004913600000000, 0.0003008200000000 ] - [ 0.0010528700000000, 0.0008802000000000, -0.0022667600000000 ] - [ 0.0000966600000000, 0.0001768400000000, -0.0007933800000000 ] - [ 0.0079325500000000, 0.0022655600000000, 0.0082668700000000 ] - [ -0.0003575400000000, 0.0005332600000000, 0.0023771000000000 ] - [ -0.0064076200000000, 0.0021510700000000, 0.0113502400000000 ] - [ -0.0006252000000000, 0.0005698700000000, 0.0027160100000000 ] - [ -0.0038032600000000, -0.0012031700000000, -0.0019896400000000 ] - [ -0.0167773400000000, 0.0222158900000000, -0.0498598300000000 ] - [ -0.0032936800000000, -0.0004102900000000, -0.0004257200000000 ] - [ 0.0956187300000000, 0.0072376100000000, -0.0536190600000000 ] - [ 0.0082431300000000, 0.0027396800000000, -0.0033413600000000 ] - [ -0.0028848200000000, -0.0012360400000000, 0.0002575100000000 ] - [ -0.0003172400000000, -0.0005666200000000, 0.0010123800000000 ] - [ -0.0013348500000000, -0.0004500900000000, 0.0012524300000000 ] - [ 0.0003187800000000, 0.0005408000000000, -0.0003468200000000 ] - [ 0.0010612500000000, 0.0016785100000000, -0.0004326400000000 ] - [ 0.0274971600000000, -0.0035116700000000, -0.0214168800000000 ] - [ -0.0013605000000000, -0.0002812800000000, 0.0010916600000000 ] - [ 0.0022056800000000, -0.0013840300000000, -0.0000843600000000 ] - [ -0.0000571700000000, -0.0022231300000000, -0.0007767000000000 ] - [ -0.0037210100000000, -0.0055769500000000, 0.0048122000000000 ] - [ 0.0049995300000000, -0.0072065100000000, 0.0050370600000000 ] - [ -0.0001548200000000, 0.0010831500000000, 0.0005364500000000 ] - [ 0.0007564200000000, 0.0065080000000000, 0.0014657900000000 ]- atom: 11 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ 0.0018830600000000, 0.0006666800000000, -0.0019871500000000 ] - [ -0.0016479500000000, -0.0016145300000000, -0.0005472600000000 ] - [ -0.0141471400000000, -0.0086422300000000, -0.0075039500000000 ] - [ 0.0052519300000000, 0.0020752800000000, 0.0018561000000000 ] - [ -0.0093753400000000, 0.0126746700000000, 0.0087008900000000 ] - [ 0.0027458500000000, -0.0041575500000000, -0.0039113400000000 ] - [ 0.0168429800000000, -0.0030987700000000, -0.0258289000000000 ] - [ 0.0075328400000000, -0.0059975300000000, 0.0153519400000000 ] - [ 0.0113222200000000, 0.0051744700000000, -0.0109982500000000 ] - [ 0.0107472300000000, -0.0148934500000000, 0.0152143800000000 ] - [ -0.2461338400000000, 0.0100639300000000, -0.0008691900000000 ] - [ 0.0165875000000000, 0.0005264200000000, 0.0019372200000000 ] - [ -0.0002176400000000, -0.0016447400000000, 0.0001949600000000 ] - [ 0.0015636700000000, -0.0004490800000000, -0.0003749100000000 ] - [ 0.0013325000000000, 0.0021451200000000, -0.0032516100000000 ] - [ -0.0008426700000000, -0.0006536400000000, 0.0017445900000000 ] - [ -0.0002104100000000, -0.0003644100000000, -0.0007183400000000 ] - [ -0.0004554700000000, -0.0003086500000000, 0.0000334500000000 ] - [ 0.0059465300000000, 0.0010935900000000, -0.0004584000000000 ] - [ 0.0014776000000000, 0.0058566100000000, 0.0021064700000000 ] - [ -0.0002907600000000, 0.0012859300000000, 0.0002967800000000 ] - [ 0.0000012900000000, -0.0003947800000000, -0.0007382200000000 ] - [ -0.0013914200000000, 0.0005031900000000, -0.0002198700000000 ] - [ 0.0005983400000000, -0.0000985300000000, -0.0003423500000000 ] - [ -0.0000303000000000, 0.0000552000000000, -0.0000818700000000 ] - [ -0.0033459700000000, 0.0011515500000000, 0.0019935100000000 ] - [ 0.0024051800000000, -0.0000904400000000, -0.0019362400000000 ] - [ 0.0113446200000000, 0.0020203200000000, 0.0101589000000000 ] - [ -0.0005430700000000, -0.0003644600000000, 0.0001782500000000 ] - [ -0.0002726700000000, -0.0004138900000000, -0.0001275600000000 ] - [ -0.0007985700000000, 0.0000622300000000, 0.0008873400000000 ] - [ 0.0004190000000000, 0.0000763200000000, 0.0003590000000000 ] - [ -0.0000684700000000, -0.0008955600000000, 0.0015685000000000 ] - [ 0.0001023800000000, 0.0003984400000000, -0.0001762700000000 ] - [ 0.0015944400000000, -0.0002892500000000, -0.0002489900000000 ] - [ -0.0015813600000000, 0.0000485000000000, -0.0002007200000000 ] - [ 0.0227145800000000, -0.0239875700000000, -0.0104128600000000 ] - [ -0.0021846800000000, -0.0003178800000000, -0.0005366200000000 ] - [ -0.0019024500000000, 0.0012140500000000, 0.0041041600000000 ] - [ -0.0020801100000000, 0.0001634500000000, -0.0098078000000000 ] - [ -0.0008103900000000, -0.0004377100000000, -0.0002918900000000 ] - [ -0.0004012900000000, -0.0010049400000000, -0.0004244600000000 ] - [ -0.0002847800000000, 0.0027102900000000, 0.0010920300000000 ] - [ 0.0000910300000000, -0.0004865500000000, 0.0001015800000000 ] - [ -0.0009494400000000, -0.0035664700000000, -0.0090820700000000 ] - [ -0.0054496100000000, 0.0038765300000000, 0.0021953200000000 ] - [ 0.0022463400000000, 0.0047335600000000, 0.0028622000000000 ] - [ -0.0016653200000000, -0.0005816800000000, -0.0010687600000000 ] - [ -0.0006742000000000, -0.0006260700000000, 0.0001807600000000 ] - [ 0.0012708000000000, 0.0010889800000000, -0.0000291200000000 ] - [ 0.0026179200000000, 0.0077715600000000, 0.0053602300000000 ] - [ -0.0034948700000000, -0.0022915200000000, -0.0009364100000000 ] - [ 0.0028326400000000, 0.0001173600000000, -0.0004928600000000 ] - [ -0.0004329900000000, 0.0006479800000000, 0.0004954100000000 ] - [ -0.0011416000000000, -0.0015213000000000, 0.0058424300000000 ] - [ -0.0003595600000000, -0.0006079100000000, -0.0008889900000000 ] - [ 0.0010304900000000, 0.0004185600000000, 0.0020051600000000 ] - [ 0.0000509900000000, -0.0006707500000000, -0.0010700200000000 ] - [ -0.0005562600000000, -0.0002868200000000, -0.0002625500000000 ] - [ 0.0011796400000000, -0.0001922200000000, 0.0012257500000000 ] - [ 0.0473079300000000, 0.0201407800000000, -0.0527744600000000 ] - [ -0.0028761000000000, 0.0002708300000000, -0.0005187300000000 ] - [ -0.0042032500000000, -0.0012983400000000, -0.0087088100000000 ] - [ 0.0015229000000000, 0.0002180400000000, 0.0057394800000000 ] - [ -0.0032151700000000, -0.0000502300000000, 0.0005696600000000 ] - [ -0.0027788400000000, -0.0074942100000000, 0.0066421100000000 ] - [ -0.0081143000000000, -0.0007536400000000, -0.0011802500000000 ] - [ 0.1188497100000000, -0.0177755800000000, 0.0483929400000000 ] - [ -0.0005598800000000, 0.0003887200000000, 0.0003220900000000 ] - [ -0.0005155400000000, 0.0006333300000000, 0.0005505300000000 ] - [ 0.0006002300000000, 0.0002674300000000, -0.0008977400000000 ] - [ 0.0001238500000000, -0.0000726800000000, -0.0002951500000000 ] - [ -0.0016700600000000, -0.0016263000000000, 0.0002213500000000 ] - [ -0.0001889400000000, 0.0024979200000000, 0.0013578800000000 ] - [ -0.0036278400000000, -0.0000749400000000, 0.0004628500000000 ] - [ 0.0294214300000000, 0.0161442400000000, 0.0099811000000000 ] - [ -0.0010181100000000, 0.0003364000000000, -0.0010835500000000 ] - [ -0.0000347000000000, -0.0004221400000000, 0.0002330400000000 ] - [ 0.0009143000000000, 0.0017476400000000, -0.0024503600000000 ] - [ 0.0000693800000000, -0.0007471400000000, 0.0012144800000000 ]- atom: 11 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ -0.0030231200000000, -0.0010009900000000, 0.0010540100000000 ] - [ 0.0004531000000000, 0.0012423400000000, -0.0004024600000000 ] - [ 0.0147658300000000, 0.0100742000000000, 0.0088338200000000 ] - [ -0.0049062900000000, -0.0005423200000000, -0.0005663500000000 ] - [ 0.0085641800000000, -0.0124012300000000, -0.0094702000000000 ] - [ -0.0039136600000000, 0.0044671700000000, 0.0029376100000000 ] - [ -0.0166460200000000, 0.0017659200000000, 0.0270183000000000 ] - [ -0.0072624300000000, 0.0046282600000000, -0.0142296500000000 ] - [ -0.0096414500000000, -0.0037425700000000, 0.0098741700000000 ] - [ -0.0091294200000000, 0.0163609300000000, -0.0164503200000000 ] - [ 0.2383195300000000, -0.0099741500000000, -0.0023622300000000 ] - [ -0.0179430500000000, -0.0009606900000000, -0.0028495800000000 ] - [ 0.0018978900000000, 0.0002094200000000, -0.0014047000000000 ] - [ 0.0001036000000000, -0.0010244600000000, -0.0008117100000000 ] - [ -0.0026201200000000, -0.0017448100000000, 0.0024160300000000 ] - [ -0.0004344300000000, 0.0011210300000000, -0.0026143100000000 ] - [ -0.0003598000000000, -0.0002213000000000, 0.0000568700000000 ] - [ -0.0001133300000000, -0.0002783500000000, -0.0007199100000000 ] - [ -0.0043500400000000, -0.0011370800000000, 0.0004176800000000 ] - [ 0.0001390600000000, -0.0058413700000000, -0.0021430900000000 ] - [ -0.0002702600000000, -0.0007030900000000, -0.0009845800000000 ] - [ -0.0005750100000000, 0.0009755200000000, 0.0000612200000000 ] - [ 0.0030762700000000, -0.0004601000000000, 0.0001662100000000 ] - [ 0.0010294900000000, 0.0001521100000000, 0.0002943700000000 ] - [ -0.0008348000000000, 0.0006492600000000, 0.0002222700000000 ] - [ 0.0024844800000000, -0.0004357200000000, -0.0019152500000000 ] - [ -0.0021051700000000, 0.0002764900000000, 0.0027615600000000 ] - [ -0.0108025000000000, -0.0019016000000000, -0.0090972300000000 ] - [ -0.0003217400000000, -0.0003439800000000, -0.0000414900000000 ] - [ -0.0006053200000000, -0.0002931600000000, 0.0002627500000000 ] - [ 0.0011212300000000, -0.0002370400000000, -0.0001099500000000 ] - [ -0.0001109100000000, -0.0002494000000000, 0.0004103600000000 ] - [ 0.0002501200000000, 0.0007216600000000, -0.0006931900000000 ] - [ 0.0000896600000000, -0.0005863400000000, 0.0010711800000000 ] - [ -0.0023646500000000, 0.0006625300000000, -0.0004374100000000 ] - [ 0.0008302700000000, 0.0002932500000000, -0.0004533900000000 ] - [ -0.0228255300000000, 0.0241226800000000, 0.0112015000000000 ] - [ 0.0023915900000000, 0.0005278500000000, 0.0014560000000000 ] - [ 0.0011629200000000, -0.0015821400000000, -0.0047862400000000 ] - [ 0.0013282900000000, -0.0005026400000000, 0.0091805300000000 ] - [ 0.0004279700000000, 0.0000022900000000, -0.0005926100000000 ] - [ 0.0000665200000000, 0.0006587200000000, -0.0004265200000000 ] - [ 0.0008125200000000, -0.0030389200000000, -0.0007840000000000 ] - [ 0.0004618200000000, 0.0001683200000000, 0.0002098900000000 ] - [ 0.0004940300000000, 0.0040887400000000, 0.0083052600000000 ] - [ 0.0051147600000000, -0.0034873800000000, -0.0030119400000000 ] - [ -0.0017186500000000, -0.0044434500000000, -0.0025900200000000 ] - [ 0.0022130800000000, 0.0008886100000000, 0.0013994100000000 ] - [ 0.0009526500000000, 0.0005728500000000, -0.0006085000000000 ] - [ -0.0009940400000000, -0.0011245300000000, -0.0003788900000000 ] - [ -0.0040848700000000, -0.0072548300000000, -0.0044134600000000 ] - [ 0.0021139100000000, 0.0028602100000000, 0.0019374100000000 ] - [ -0.0026128300000000, -0.0000765900000000, 0.0000847900000000 ] - [ 0.0007190500000000, -0.0005901400000000, -0.0009091000000000 ] - [ -0.0002713700000000, 0.0009381400000000, -0.0049069800000000 ] - [ -0.0009956200000000, -0.0000239500000000, 0.0019227500000000 ] - [ -0.0009199400000000, -0.0005531500000000, -0.0023154900000000 ] - [ 0.0000913000000000, 0.0005356500000000, 0.0007522800000000 ] - [ 0.0013912800000000, -0.0001190600000000, 0.0015146700000000 ] - [ -0.0003281500000000, -0.0002136000000000, 0.0000412400000000 ] - [ -0.0464916100000000, -0.0192694900000000, 0.0507844700000000 ] - [ 0.0030140800000000, -0.0001474300000000, 0.0002692800000000 ] - [ 0.0050408800000000, 0.0017291000000000, 0.0099938600000000 ] - [ -0.0006795800000000, 0.0001857900000000, -0.0044750300000000 ] - [ 0.0020671500000000, -0.0009001400000000, 0.0004309100000000 ] - [ 0.0015072300000000, 0.0065908900000000, -0.0055836100000000 ] - [ 0.0088597900000000, 0.0004207800000000, 0.0000739600000000 ] - [ -0.1122753900000000, 0.0158189100000000, -0.0458186200000000 ] - [ -0.0006240600000000, 0.0005656400000000, 0.0006979400000000 ] - [ -0.0006545300000000, 0.0003142300000000, 0.0004714200000000 ] - [ 0.0000563900000000, 0.0000669600000000, -0.0001977200000000 ] - [ 0.0005558900000000, 0.0004211700000000, -0.0007875100000000 ] - [ 0.0012714500000000, 0.0021262700000000, -0.0000815900000000 ] - [ -0.0001991900000000, -0.0019775300000000, -0.0012205900000000 ] - [ 0.0049732100000000, -0.0004046800000000, -0.0002198300000000 ] - [ -0.0281831000000000, -0.0162994900000000, -0.0095621700000000 ] - [ 0.0006326200000000, -0.0009431100000000, 0.0011801900000000 ] - [ -0.0003618500000000, -0.0000764200000000, -0.0000890400000000 ] - [ 0.0003921400000000, -0.0013244800000000, 0.0027330900000000 ] - [ 0.0013165600000000, 0.0012289800000000, -0.0009828000000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0032974500000000, 0.0140293400000000, 0.0010215600000000 ] - [ 0.0038777700000000, 0.0160149200000000, -0.0024830000000000 ] - [ -0.0240656000000000, 0.0665094900000000, 0.0114164500000000 ] - [ 0.0054703300000000, 0.0059087400000000, 0.0027327500000000 ] - [ 0.0219442400000000, 0.0242731500000000, 0.0623460400000000 ] - [ -0.0031880900000000, -0.0015723000000000, -0.0050060000000000 ] - [ 0.0071331200000000, -0.0295659000000000, -0.0182640300000000 ] - [ 0.0088269100000000, -0.0192037100000000, 0.0068735100000000 ] - [ 0.0175102100000000, 0.0046140700000000, -0.0103039600000000 ] - [ -0.0030994400000000, 0.0051859000000000, -0.0018075300000000 ] - [ 0.0083952700000000, -0.1913153800000000, 0.0076026300000000 ] - [ 0.0000955100000000, -0.0100185900000000, -0.0020736300000000 ] - [ -0.0016993200000000, 0.0267612300000000, -0.0098791400000000 ] - [ 0.0013128200000000, 0.0085450300000000, -0.0022135900000000 ] - [ -0.0026154200000000, 0.0086122700000000, 0.0053163400000000 ] - [ 0.0002307400000000, 0.0003968700000000, 0.0037751800000000 ] - [ -0.0005935200000000, 0.0003914900000000, 0.0018717400000000 ] - [ -0.0003990400000000, 0.0001038600000000, 0.0003841200000000 ] - [ -0.0075730300000000, -0.0034795200000000, 0.0028059200000000 ] - [ 0.0185333900000000, 0.0036021200000000, -0.0046117100000000 ] - [ 0.0027053300000000, 0.0031334500000000, -0.0036860000000000 ] - [ -0.0017714000000000, 0.0015219400000000, -0.0009288000000000 ] - [ -0.0008014900000000, -0.0001476700000000, -0.0007966200000000 ] - [ 0.0024247700000000, -0.0009042500000000, -0.0000205100000000 ] - [ -0.0002492900000000, 0.0007522400000000, 0.0001364800000000 ] - [ 0.0003009800000000, 0.0075888500000000, -0.0060558400000000 ] - [ -0.0006921100000000, -0.0019694200000000, 0.0012808700000000 ] - [ 0.0115190200000000, -0.0092604700000000, 0.0055320700000000 ] - [ -0.0000983100000000, 0.0009557200000000, 0.0007726500000000 ] - [ -0.0014866200000000, 0.0012349300000000, 0.0001694000000000 ] - [ -0.0005937200000000, 0.0007818800000000, -0.0019920300000000 ] - [ 0.0005457100000000, -0.0001673000000000, 0.0003901200000000 ] - [ 0.0012648200000000, -0.0053016900000000, 0.0019372200000000 ] - [ -0.0007890300000000, -0.0025441200000000, -0.0000493900000000 ] - [ 0.0001159900000000, -0.0187618200000000, 0.0106264600000000 ] - [ -0.0005089900000000, -0.0033798900000000, 0.0012401500000000 ] - [ -0.0303988900000000, 0.0579428200000000, 0.0002768000000000 ] - [ -0.0013130500000000, 0.0022368900000000, 0.0012289100000000 ] - [ -0.0010302900000000, 0.0056299900000000, 0.0023490400000000 ] - [ -0.0009082000000000, 0.0019745700000000, -0.0008216200000000 ] - [ 0.0000886300000000, -0.0021032300000000, -0.0004153700000000 ] - [ -0.0063462300000000, -0.0143220600000000, -0.0036130600000000 ] - [ 0.0045298200000000, -0.0091914700000000, -0.0010049100000000 ] - [ 0.0001986000000000, -0.0036536600000000, 0.0003193300000000 ] - [ -0.0140451200000000, 0.0142734800000000, -0.0099191800000000 ] - [ -0.0031928500000000, 0.0083723300000000, -0.0002300900000000 ] - [ 0.0085594700000000, 0.0124274600000000, -0.0090649200000000 ] - [ -0.0022744800000000, 0.0003113200000000, 0.0006310600000000 ] - [ -0.0000476500000000, -0.0034468700000000, -0.0016936000000000 ] - [ 0.0004539500000000, -0.0041037600000000, -0.0011616200000000 ] - [ 0.0107401700000000, -0.0016114200000000, -0.0015968000000000 ] - [ -0.0121753500000000, -0.0011107700000000, 0.0017200700000000 ] - [ -0.0067010000000000, -0.0115535700000000, -0.0015000400000000 ] - [ 0.0024933100000000, -0.0014655700000000, -0.0000163400000000 ] - [ -0.0004265300000000, 0.0012018000000000, 0.0050622600000000 ] - [ -0.0032277500000000, 0.0029226200000000, -0.0012419800000000 ] - [ 0.0087898500000000, -0.0050690600000000, -0.0128867400000000 ] - [ -0.0006608500000000, -0.0009101000000000, -0.0024561800000000 ] - [ -0.0006376500000000, -0.0026302300000000, -0.0004275900000000 ] - [ 0.0010604100000000, -0.0053181600000000, 0.0019154000000000 ] - [ 0.0178713300000000, 0.0425282700000000, -0.0282123600000000 ] - [ -0.0015507500000000, 0.0034157500000000, 0.0008135800000000 ] - [ 0.0003739000000000, -0.0003130800000000, -0.0017171600000000 ] - [ 0.0018144400000000, -0.0005926800000000, 0.0059071700000000 ] - [ -0.0002766000000000, -0.0001557600000000, -0.0004894600000000 ] - [ -0.0151609700000000, 0.0005773700000000, 0.0115378600000000 ] - [ -0.0010087100000000, 0.0031160600000000, -0.0017653300000000 ] - [ -0.0321529000000000, 0.0335184500000000, -0.0120599900000000 ] - [ -0.0003573400000000, -0.0018008000000000, -0.0000995800000000 ] - [ 0.0011045100000000, -0.0046881600000000, 0.0004941900000000 ] - [ 0.0009516000000000, -0.0005085200000000, -0.0002108400000000 ] - [ -0.0013133900000000, -0.0015040500000000, -0.0023428900000000 ] - [ -0.0033782500000000, -0.0083884900000000, 0.0008968900000000 ] - [ -0.0004815100000000, -0.0042984600000000, -0.0002765000000000 ] - [ 0.0033626300000000, 0.0042528500000000, -0.0000009200000000 ] - [ 0.0160528100000000, 0.0032942300000000, 0.0041043600000000 ] - [ 0.0008606900000000, -0.0168278800000000, -0.0037497100000000 ] - [ 0.0001219700000000, -0.0037015400000000, 0.0010537900000000 ] - [ 0.0022881000000000, 0.0061824800000000, 0.0001302100000000 ] - [ -0.0013349500000000, 0.0017651400000000, 0.0024740500000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021215300000000, -0.0143859200000000, -0.0019534800000000 ] - [ -0.0050002900000000, -0.0163491100000000, 0.0015569900000000 ] - [ 0.0243321100000000, -0.0644314500000000, -0.0099035500000000 ] - [ -0.0051186200000000, -0.0044452300000000, -0.0014640000000000 ] - [ -0.0232089200000000, -0.0241475300000000, -0.0637013900000000 ] - [ 0.0020658000000000, 0.0019888200000000, 0.0040671100000000 ] - [ -0.0068911500000000, 0.0282980200000000, 0.0196903400000000 ] - [ -0.0084626300000000, 0.0177160400000000, -0.0056510100000000 ] - [ -0.0159907500000000, -0.0031277600000000, 0.0092340700000000 ] - [ 0.0047649800000000, -0.0035726700000000, 0.0006030600000000 ] - [ -0.0115641400000000, 0.1932300400000000, -0.0062571200000000 ] - [ -0.0014069300000000, 0.0095481800000000, 0.0012120700000000 ] - [ 0.0033597600000000, -0.0281400700000000, 0.0086333700000000 ] - [ 0.0003481600000000, -0.0100170600000000, 0.0010185900000000 ] - [ 0.0013247100000000, -0.0082394800000000, -0.0061073300000000 ] - [ -0.0015070100000000, 0.0000106100000000, -0.0046300600000000 ] - [ 0.0000217800000000, -0.0009784900000000, -0.0025414700000000 ] - [ -0.0001711000000000, -0.0006884800000000, -0.0010635700000000 ] - [ 0.0091159600000000, 0.0033839600000000, -0.0028136200000000 ] - [ -0.0167629900000000, -0.0036098300000000, 0.0045552000000000 ] - [ -0.0032969700000000, -0.0025678700000000, 0.0030106700000000 ] - [ 0.0012090400000000, -0.0009377100000000, 0.0002493400000000 ] - [ 0.0024736100000000, 0.0001851800000000, 0.0007474100000000 ] - [ -0.0007907900000000, 0.0009582700000000, -0.0000199900000000 ] - [ -0.0006184400000000, -0.0000384000000000, 0.0000002100000000 ] - [ -0.0011869900000000, -0.0070076300000000, 0.0062830900000000 ] - [ 0.0010101700000000, 0.0021359000000000, -0.0005028000000000 ] - [ -0.0112755200000000, 0.0093665200000000, -0.0047461600000000 ] - [ -0.0007706400000000, -0.0016627400000000, -0.0006396000000000 ] - [ 0.0006171100000000, -0.0019376600000000, -0.0000350100000000 ] - [ 0.0009038700000000, -0.0009547200000000, 0.0027490400000000 ] - [ -0.0002360200000000, -0.0000129400000000, 0.0003824600000000 ] - [ -0.0010771300000000, 0.0051343900000000, -0.0010650200000000 ] - [ 0.0009789900000000, 0.0023631800000000, 0.0009398400000000 ] - [ -0.0008652000000000, 0.0190100100000000, -0.0112658500000000 ] - [ -0.0002372300000000, 0.0037391400000000, -0.0019018000000000 ] - [ 0.0314705400000000, -0.0620333100000000, -0.0013644400000000 ] - [ 0.0015032500000000, -0.0020662500000000, -0.0003355200000000 ] - [ 0.0002918000000000, -0.0060278000000000, -0.0030440500000000 ] - [ 0.0001640800000000, -0.0023556600000000, 0.0001658900000000 ] - [ -0.0004564100000000, 0.0016883100000000, -0.0004624900000000 ] - [ 0.0059857000000000, 0.0139269500000000, 0.0027384900000000 ] - [ -0.0039749300000000, 0.0088606300000000, 0.0013050500000000 ] - [ 0.0003372800000000, 0.0033496800000000, -0.0000060000000000 ] - [ 0.0137219600000000, -0.0139446900000000, 0.0090829100000000 ] - [ 0.0028545700000000, -0.0080088200000000, -0.0006374100000000 ] - [ -0.0080138600000000, -0.0121571700000000, 0.0093799700000000 ] - [ 0.0027748800000000, -0.0000430500000000, -0.0003172700000000 ] - [ 0.0003331700000000, 0.0034047200000000, 0.0012693100000000 ] - [ -0.0001882300000000, 0.0040596900000000, 0.0007457400000000 ] - [ -0.0120632600000000, 0.0023753800000000, 0.0025579000000000 ] - [ 0.0107466500000000, 0.0017227400000000, -0.0007034000000000 ] - [ 0.0069557200000000, 0.0115782600000000, 0.0011339500000000 ] - [ -0.0022269600000000, 0.0015050500000000, -0.0003937200000000 ] - [ -0.0009706800000000, -0.0017935100000000, -0.0041144900000000 ] - [ 0.0018504300000000, -0.0035281800000000, 0.0022475800000000 ] - [ -0.0086260000000000, 0.0049047900000000, 0.0125169800000000 ] - [ 0.0007923000000000, 0.0007888400000000, 0.0021507700000000 ] - [ 0.0014859700000000, 0.0022280200000000, 0.0016908100000000 ] - [ -0.0002313200000000, 0.0049244700000000, -0.0006709200000000 ] - [ -0.0171632800000000, -0.0424381200000000, 0.0270172600000000 ] - [ 0.0016767400000000, -0.0032756700000000, -0.0010903500000000 ] - [ 0.0004916800000000, 0.0007027300000000, 0.0030043200000000 ] - [ -0.0009878900000000, 0.0009853800000000, -0.0046814000000000 ] - [ -0.0008889200000000, -0.0008196600000000, 0.0015109500000000 ] - [ 0.0141103300000000, -0.0016901800000000, -0.0105532300000000 ] - [ 0.0016783800000000, -0.0034596100000000, 0.0006831700000000 ] - [ 0.0328413500000000, -0.0336676500000000, 0.0109089500000000 ] - [ -0.0008179500000000, 0.0027560300000000, 0.0011215000000000 ] - [ -0.0022797900000000, 0.0056318600000000, 0.0005306000000000 ] - [ -0.0002752100000000, 0.0008578300000000, -0.0008680200000000 ] - [ 0.0019869100000000, 0.0018599400000000, 0.0012540400000000 ] - [ 0.0030113000000000, 0.0089151600000000, -0.0007748700000000 ] - [ 0.0000822600000000, 0.0047872000000000, 0.0004002900000000 ] - [ -0.0019997600000000, -0.0046681700000000, 0.0002504400000000 ] - [ -0.0141875900000000, -0.0020919400000000, -0.0031288200000000 ] - [ -0.0012439000000000, 0.0162038400000000, 0.0038666200000000 ] - [ -0.0005159400000000, 0.0031770400000000, -0.0009126800000000 ] - [ -0.0009611200000000, -0.0056900200000000, 0.0001319800000000 ] - [ 0.0027175800000000, -0.0012505900000000, -0.0022764400000000 ]- atom: 11 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ -0.0028945200000000, -0.0006950000000000, 0.0006228100000000 ] - [ 0.0029207800000000, 0.0031338100000000, -0.0020810300000000 ] - [ -0.0071330100000000, 0.0271701200000000, 0.0022057600000000 ] - [ -0.0004252200000000, 0.0008388600000000, 0.0008572500000000 ] - [ 0.0128745000000000, 0.0243688900000000, 0.0178666000000000 ] - [ -0.0048568200000000, 0.0099528400000000, 0.0046217100000000 ] - [ -0.0405188700000000, 0.0057392900000000, 0.0588405800000000 ] - [ 0.0097147900000000, -0.0063177200000000, 0.0063479700000000 ] - [ -0.0191100900000000, -0.0029684600000000, 0.0176589800000000 ] - [ 0.0049561900000000, -0.0001471700000000, 0.0050234500000000 ] - [ 0.1216362600000000, -0.0006336900000000, -0.1898965900000000 ] - [ -0.0073116900000000, -0.0019968800000000, -0.0086950800000000 ] - [ 0.0002902200000000, 0.0069792600000000, -0.0046599800000000 ] - [ 0.0003742100000000, 0.0002439600000000, -0.0018101700000000 ] - [ -0.0041144200000000, -0.0057078400000000, 0.0078239200000000 ] - [ 0.0013283300000000, -0.0029612000000000, 0.0030933900000000 ] - [ -0.0004249900000000, -0.0000194100000000, 0.0009589500000000 ] - [ -0.0002737000000000, -0.0001354300000000, 0.0001297300000000 ] - [ -0.0031431100000000, -0.0001609100000000, 0.0013699300000000 ] - [ 0.0071046300000000, -0.0024576400000000, -0.0065845900000000 ] - [ 0.0005612900000000, 0.0003442200000000, -0.0030846500000000 ] - [ -0.0007351800000000, 0.0008469600000000, -0.0011202100000000 ] - [ 0.0046699100000000, -0.0012860000000000, 0.0018413400000000 ] - [ -0.0013168200000000, 0.0007955400000000, 0.0016260000000000 ] - [ -0.0007416500000000, 0.0003823300000000, -0.0002952200000000 ] - [ 0.0027127600000000, -0.0018649900000000, -0.0043245400000000 ] - [ -0.0027024400000000, 0.0001839400000000, 0.0025115600000000 ] - [ 0.0111949000000000, -0.0019684500000000, 0.0058360900000000 ] - [ -0.0001822200000000, -0.0000223700000000, 0.0003093000000000 ] - [ -0.0008867000000000, 0.0000577500000000, 0.0003478300000000 ] - [ 0.0012301800000000, -0.0020363600000000, -0.0001604900000000 ] - [ -0.0002955400000000, -0.0006744600000000, 0.0000668600000000 ] - [ 0.0007182600000000, 0.0012737700000000, -0.0015739700000000 ] - [ -0.0006000200000000, 0.0007386300000000, -0.0007856500000000 ] - [ -0.0010405800000000, -0.0059689800000000, 0.0061595600000000 ] - [ 0.0001148000000000, -0.0002861200000000, 0.0000979000000000 ] - [ -0.0215985700000000, 0.0286523800000000, 0.0244204400000000 ] - [ 0.0018871000000000, 0.0009761100000000, 0.0033704300000000 ] - [ 0.0039423900000000, -0.0029717800000000, -0.0083970800000000 ] - [ -0.0012366500000000, -0.0006540500000000, -0.0023393100000000 ] - [ 0.0002164500000000, -0.0000601200000000, -0.0007049100000000 ] - [ -0.0025224700000000, -0.0053930700000000, -0.0019852300000000 ] - [ 0.0009564900000000, -0.0022695500000000, -0.0001594500000000 ] - [ -0.0003420600000000, -0.0000081000000000, 0.0004311100000000 ] - [ -0.0092443100000000, 0.0038383200000000, -0.0010380300000000 ] - [ 0.0114163200000000, -0.0088880300000000, -0.0029584300000000 ] - [ 0.0008315000000000, -0.0092535500000000, -0.0100772800000000 ] - [ 0.0000906200000000, -0.0003697200000000, -0.0021193700000000 ] - [ 0.0013116500000000, 0.0010869500000000, -0.0012716200000000 ] - [ -0.0007180800000000, -0.0002938200000000, -0.0004421800000000 ] - [ 0.0027226700000000, -0.0062887800000000, 0.0005167900000000 ] - [ -0.0033022600000000, 0.0009744500000000, 0.0034679300000000 ] - [ -0.0037881200000000, -0.0052195600000000, -0.0000048400000000 ] - [ 0.0010964500000000, -0.0017411100000000, -0.0003255600000000 ] - [ -0.0000560700000000, 0.0027856100000000, -0.0086455900000000 ] - [ -0.0018452900000000, -0.0004604500000000, -0.0022426900000000 ] - [ 0.0042863800000000, -0.0022957800000000, -0.0071963100000000 ] - [ -0.0004859100000000, 0.0000814400000000, -0.0011146700000000 ] - [ 0.0015002000000000, -0.0003370100000000, 0.0022224900000000 ] - [ 0.0007378100000000, -0.0012134800000000, 0.0021989800000000 ] - [ -0.0633040100000000, -0.0392184700000000, 0.0957012400000000 ] - [ -0.0013859400000000, 0.0011048600000000, 0.0026222000000000 ] - [ -0.0016438100000000, -0.0008053600000000, -0.0023997600000000 ] - [ -0.0011353800000000, -0.0003792000000000, -0.0075154600000000 ] - [ -0.0005921000000000, -0.0001612700000000, -0.0000887800000000 ] - [ 0.0104191200000000, 0.0039157600000000, -0.0037481200000000 ] - [ 0.0066526200000000, 0.0005001800000000, 0.0008320500000000 ] - [ -0.0218564300000000, 0.0070509100000000, 0.0104316800000000 ] - [ -0.0008024300000000, 0.0002822100000000, 0.0006261000000000 ] - [ -0.0003259600000000, -0.0008175100000000, 0.0008129100000000 ] - [ -0.0004460700000000, 0.0009982300000000, -0.0005493300000000 ] - [ 0.0007542800000000, 0.0012805900000000, -0.0008711400000000 ] - [ 0.0026087700000000, 0.0032649300000000, 0.0004379000000000 ] - [ -0.0003980400000000, -0.0003689200000000, 0.0003854900000000 ] - [ 0.0033642100000000, -0.0001250500000000, -0.0005776300000000 ] - [ -0.0039828200000000, -0.0145298400000000, 0.0054561700000000 ] - [ 0.0000988000000000, -0.0059847200000000, -0.0003445300000000 ] - [ -0.0005381300000000, -0.0008299200000000, -0.0006013500000000 ] - [ -0.0031625700000000, 0.0034641400000000, -0.0014564700000000 ] - [ 0.0061252300000000, 0.0059400900000000, -0.0059041100000000 ]- atom: 11 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ 0.0017451700000000, 0.0002844900000000, -0.0015864400000000 ] - [ -0.0040898500000000, -0.0035232200000000, 0.0011384700000000 ] - [ 0.0076411200000000, -0.0258606500000000, -0.0009687600000000 ] - [ 0.0007486700000000, 0.0006211100000000, 0.0004008600000000 ] - [ -0.0141799700000000, -0.0242105000000000, -0.0188308800000000 ] - [ 0.0038006700000000, -0.0096608600000000, -0.0055476200000000 ] - [ 0.0411805200000000, -0.0070010200000000, -0.0581233600000000 ] - [ -0.0093311100000000, 0.0048480500000000, -0.0051179800000000 ] - [ 0.0206058200000000, 0.0043374500000000, -0.0187319500000000 ] - [ -0.0033259500000000, 0.0017336800000000, -0.0062994900000000 ] - [ -0.1268055000000000, -0.0026020700000000, 0.1967278800000000 ] - [ 0.0059794100000000, 0.0015961400000000, 0.0078210600000000 ] - [ 0.0013823800000000, -0.0084822400000000, 0.0034885700000000 ] - [ 0.0012992900000000, -0.0017480400000000, 0.0006323200000000 ] - [ 0.0028467100000000, 0.0061383800000000, -0.0086996100000000 ] - [ -0.0026063000000000, 0.0034048800000000, -0.0039790300000000 ] - [ -0.0001468100000000, -0.0005688800000000, -0.0016297900000000 ] - [ -0.0002930000000000, -0.0004520700000000, -0.0008161800000000 ] - [ 0.0047982400000000, 0.0001308700000000, -0.0014294700000000 ] - [ -0.0055107000000000, 0.0023997600000000, 0.0065840500000000 ] - [ -0.0011323100000000, 0.0002399000000000, 0.0023887200000000 ] - [ 0.0001633100000000, -0.0002604800000000, 0.0004502600000000 ] - [ -0.0030412500000000, 0.0013393000000000, -0.0019060900000000 ] - [ 0.0029655700000000, -0.0007367000000000, -0.0016679800000000 ] - [ -0.0001295700000000, 0.0003275500000000, 0.0004336000000000 ] - [ -0.0035281800000000, 0.0025466100000000, 0.0043980600000000 ] - [ 0.0029882000000000, 0.0000020400000000, -0.0017258100000000 ] - [ -0.0108515600000000, 0.0021874400000000, -0.0051616900000000 ] - [ -0.0006838200000000, -0.0006872600000000, -0.0001745000000000 ] - [ 0.0000158000000000, -0.0007701300000000, -0.0002112400000000 ] - [ -0.0009237600000000, 0.0018721700000000, 0.0009419700000000 ] - [ 0.0006085200000000, 0.0005035100000000, 0.0007105300000000 ] - [ -0.0005385600000000, -0.0014423000000000, 0.0024562100000000 ] - [ 0.0007904900000000, -0.0009195300000000, 0.0016807900000000 ] - [ 0.0002909000000000, 0.0063671000000000, -0.0068713900000000 ] - [ -0.0008650400000000, 0.0006552900000000, -0.0007649600000000 ] - [ 0.0218541700000000, -0.0292321700000000, -0.0237175800000000 ] - [ -0.0016989700000000, -0.0007953300000000, -0.0024784200000000 ] - [ -0.0046543400000000, 0.0026063400000000, 0.0076868900000000 ] - [ 0.0004891900000000, 0.0002861600000000, 0.0017017500000000 ] - [ -0.0005868000000000, -0.0003545600000000, -0.0001687000000000 ] - [ 0.0021849800000000, 0.0050565900000000, 0.0011307800000000 ] - [ -0.0004402100000000, 0.0019973100000000, 0.0004822500000000 ] - [ 0.0008868300000000, -0.0002918200000000, -0.0001172400000000 ] - [ 0.0088638500000000, -0.0034235300000000, 0.0001046300000000 ] - [ -0.0118506500000000, 0.0093331700000000, 0.0021249000000000 ] - [ -0.0002851400000000, 0.0095841900000000, 0.0104119900000000 ] - [ 0.0003987000000000, 0.0006519200000000, 0.0024388300000000 ] - [ -0.0010229600000000, -0.0011177100000000, 0.0008505200000000 ] - [ 0.0009833500000000, 0.0002557000000000, 0.0000326700000000 ] - [ -0.0041544500000000, 0.0068636700000000, 0.0005180200000000 ] - [ 0.0019423900000000, -0.0003676100000000, -0.0024826200000000 ] - [ 0.0040414500000000, 0.0052512100000000, -0.0003908400000000 ] - [ -0.0008243000000000, 0.0017973100000000, -0.0000991500000000 ] - [ -0.0013421800000000, -0.0033964000000000, 0.0096260500000000 ] - [ 0.0004508600000000, -0.0001674600000000, 0.0032536300000000 ] - [ -0.0041965900000000, 0.0021646300000000, 0.0069501000000000 ] - [ 0.0006301400000000, -0.0002022400000000, 0.0008204200000000 ] - [ -0.0006526600000000, -0.0000586900000000, -0.0009539700000000 ] - [ 0.0001000700000000, 0.0008199500000000, -0.0009475200000000 ] - [ 0.0676269500000000, 0.0428604600000000, -0.1027256600000000 ] - [ 0.0015057200000000, -0.0009847300000000, -0.0029057800000000 ] - [ 0.0025141800000000, 0.0012058800000000, 0.0036833300000000 ] - [ 0.0019523900000000, 0.0007930100000000, 0.0087314700000000 ] - [ -0.0005559800000000, -0.0008065000000000, 0.0011070700000000 ] - [ -0.0115789000000000, -0.0049080400000000, 0.0048678100000000 ] - [ -0.0059263600000000, -0.0008540800000000, -0.0018913100000000 ] - [ 0.0221135600000000, -0.0073810100000000, -0.0117301800000000 ] - [ -0.0003828000000000, 0.0006794700000000, 0.0003956000000000 ] - [ -0.0008467900000000, 0.0017808600000000, 0.0002023500000000 ] - [ 0.0011174000000000, -0.0006581400000000, -0.0005421100000000 ] - [ -0.0000819900000000, -0.0009362300000000, -0.0002132000000000 ] - [ -0.0029763000000000, -0.0026907800000000, -0.0002871800000000 ] - [ 0.0000069000000000, 0.0008722000000000, -0.0002565400000000 ] - [ -0.0020413300000000, -0.0003375500000000, 0.0008412200000000 ] - [ 0.0051732400000000, 0.0142028900000000, -0.0051257100000000 ] - [ -0.0004726300000000, 0.0054639800000000, 0.0004580000000000 ] - [ 0.0001341500000000, 0.0003332300000000, 0.0007380100000000 ] - [ 0.0045056500000000, -0.0030211000000000, 0.0017219400000000 ] - [ -0.0047713400000000, -0.0054842200000000, 0.0061443800000000 ]- atom: 17 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ 0.0049489700000000, -0.0002333400000000, -0.0133955200000000 ] - [ 0.0006597600000000, 0.0002028100000000, 0.0011607200000000 ] - [ 0.0010924500000000, 0.0005282100000000, 0.0002395000000000 ] - [ -0.0008000500000000, 0.0006265700000000, 0.0006879000000000 ] - [ -0.0013175100000000, -0.0027409600000000, -0.0038646800000000 ] - [ 0.0004472900000000, 0.0006971700000000, 0.0006115900000000 ] - [ -0.0005369700000000, -0.0010740900000000, 0.0007768400000000 ] - [ 0.0009749500000000, -0.0009133600000000, 0.0004420100000000 ] - [ 0.0030734400000000, 0.0040505800000000, -0.0036120700000000 ] - [ 0.0019894900000000, -0.0009622000000000, 0.0016854000000000 ] - [ -0.0005627900000000, -0.0005148100000000, -0.0005415700000000 ] - [ -0.0008039400000000, -0.0003217300000000, -0.0005148300000000 ] - [ -0.0006823500000000, 0.0012675800000000, -0.0019817300000000 ] - [ 0.0009426000000000, -0.0009692800000000, -0.0008541600000000 ] - [ -0.0006536100000000, -0.0027747300000000, 0.0005368800000000 ] - [ -0.0003442300000000, 0.0017007800000000, -0.0007808300000000 ] - [ -0.0223100800000000, -0.0006480900000000, 0.0462951600000000 ] - [ 0.0000218000000000, -0.0002993700000000, -0.0005081900000000 ] - [ 0.0008127700000000, -0.0000340700000000, -0.0000531200000000 ] - [ 0.0008221900000000, -0.0000234400000000, 0.0000023000000000 ] - [ 0.0000136000000000, 0.0002740800000000, -0.0002452600000000 ] - [ -0.0004428800000000, 0.0002684000000000, -0.0000782400000000 ] - [ 0.0006688200000000, 0.0000391100000000, 0.0000374700000000 ] - [ 0.0010033500000000, -0.0000024300000000, -0.0000908600000000 ] - [ -0.0010599200000000, 0.0010673600000000, -0.0001614700000000 ] - [ -0.0006158200000000, 0.0000095400000000, -0.0000082600000000 ] - [ 0.0001537900000000, 0.0000742600000000, 0.0003948000000000 ] - [ 0.0001757200000000, 0.0000613300000000, 0.0004297100000000 ] - [ -0.0000683400000000, -0.0002765300000000, -0.0002009800000000 ] - [ 0.0005213000000000, -0.0008702300000000, 0.0025299200000000 ] - [ 0.0000321200000000, -0.0001136300000000, 0.0002953800000000 ] - [ 0.0001680500000000, -0.0001457600000000, 0.0003991500000000 ] - [ -0.0014640800000000, 0.0028023300000000, 0.0012531600000000 ] - [ -0.0011458900000000, -0.0012013600000000, -0.0000763600000000 ] - [ -0.0003049900000000, 0.0000844400000000, -0.0003034400000000 ] - [ -0.0002935600000000, 0.0002638700000000, -0.0002942800000000 ] - [ 0.0001045800000000, 0.0003822400000000, 0.0006294600000000 ] - [ 0.0000506200000000, 0.0000445400000000, 0.0004755100000000 ] - [ -0.0002455600000000, -0.0003685000000000, -0.0004833600000000 ] - [ -0.0005758300000000, 0.0002783100000000, -0.0003149300000000 ] - [ 0.0008126700000000, 0.0009369900000000, -0.0001551700000000 ] - [ -0.0009160100000000, -0.0006559300000000, -0.0007041800000000 ] - [ -0.0001349300000000, 0.0000722900000000, 0.0005962900000000 ] - [ 0.0006598600000000, -0.0004469000000000, -0.0002212400000000 ] - [ -0.0003121200000000, 0.0006587900000000, -0.0001617000000000 ] - [ -0.0001084700000000, 0.0000780600000000, -0.0005644200000000 ] - [ 0.0008859000000000, 0.0005668200000000, 0.0000670200000000 ] - [ -0.0003605700000000, -0.0001172500000000, 0.0002547700000000 ] - [ 0.0080013400000000, -0.0046916900000000, -0.0348618200000000 ] - [ -0.0002213900000000, 0.0000782200000000, -0.0001382300000000 ] - [ -0.0007224000000000, 0.0004023400000000, 0.0006247400000000 ] - [ -0.0006359800000000, 0.0002835900000000, 0.0004231800000000 ] - [ 0.0004719400000000, -0.0001145200000000, -0.0002289100000000 ] - [ 0.0003190400000000, 0.0000112400000000, -0.0005224100000000 ] - [ -0.0004653400000000, -0.0001714100000000, 0.0004425500000000 ] - [ -0.0009462300000000, -0.0003323100000000, 0.0005663300000000 ] - [ -0.0003350600000000, 0.0004269000000000, 0.0003986900000000 ] - [ 0.0003777000000000, -0.0002353400000000, -0.0005259100000000 ] - [ 0.0001367000000000, -0.0000126900000000, 0.0022909300000000 ] - [ 0.0005995000000000, -0.0004650100000000, 0.0006808300000000 ] - [ 0.0001924800000000, 0.0001320900000000, -0.0002698600000000 ] - [ -0.0000766000000000, 0.0000650300000000, -0.0000016100000000 ] - [ -0.0008511900000000, 0.0020928800000000, 0.0007426500000000 ] - [ -0.0005028300000000, -0.0007529200000000, 0.0001652900000000 ] - [ 0.0002056600000000, -0.0006004400000000, 0.0001144400000000 ] - [ -0.0010555000000000, -0.0002774000000000, 0.0008805700000000 ] - [ 0.0004662600000000, -0.0003211400000000, -0.0003609600000000 ] - [ 0.0002066600000000, 0.0000041600000000, -0.0007209600000000 ] - [ -0.0010431900000000, 0.0006291800000000, 0.0009445000000000 ] - [ 0.0001978900000000, 0.0002889200000000, -0.0006030500000000 ] - [ 0.0004849200000000, 0.0000016500000000, -0.0002589700000000 ] - [ 0.0000970600000000, 0.0003397700000000, -0.0008055800000000 ] - [ 0.0041340800000000, 0.0013329900000000, -0.0015594000000000 ] - [ 0.0000918300000000, 0.0003669100000000, -0.0005285300000000 ] - [ 0.0007466900000000, -0.0000235900000000, 0.0002141800000000 ] - [ 0.0005710100000000, -0.0001301200000000, 0.0001755100000000 ] - [ 0.0037739900000000, -0.0001352400000000, 0.0027828000000000 ] - [ -0.0004738900000000, -0.0002158400000000, 0.0001240200000000 ] - [ 0.0007164800000000, -0.0000229100000000, 0.0002093100000000 ] - [ 0.0005628400000000, 0.0007182300000000, -0.0000244200000000 ]- atom: 17 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ -0.0062241200000000, -0.0001652000000000, 0.0122646500000000 ] - [ -0.0018259900000000, -0.0005744100000000, -0.0021413400000000 ] - [ -0.0007493300000000, 0.0009223800000000, 0.0009989400000000 ] - [ 0.0011725500000000, 0.0008372500000000, 0.0005680000000000 ] - [ 0.0002305700000000, 0.0030820600000000, 0.0029501500000000 ] - [ -0.0015796100000000, -0.0003498200000000, -0.0015478200000000 ] - [ 0.0008756800000000, -0.0003732800000000, 0.0004704600000000 ] - [ -0.0006358200000000, -0.0005280500000000, 0.0008088500000000 ] - [ -0.0014089800000000, -0.0025397700000000, 0.0024044700000000 ] - [ -0.0003410000000000, 0.0024779100000000, -0.0028915500000000 ] - [ -0.0007089300000000, 0.0000811900000000, -0.0003185800000000 ] - [ -0.0004662200000000, -0.0001002700000000, -0.0003426700000000 ] - [ 0.0023619600000000, -0.0027314100000000, 0.0007660700000000 ] - [ 0.0007435300000000, -0.0005034900000000, -0.0002966700000000 ] - [ -0.0006302700000000, 0.0031983400000000, -0.0013867300000000 ] - [ -0.0009202200000000, -0.0012844500000000, -0.0000691600000000 ] - [ 0.0229126900000000, 0.0007756500000000, -0.0501455200000000 ] - [ -0.0005921900000000, -0.0002874800000000, -0.0001686600000000 ] - [ 0.0008345100000000, -0.0000140300000000, 0.0000047000000000 ] - [ 0.0008261800000000, -0.0000251300000000, -0.0000513000000000 ] - [ -0.0005865500000000, 0.0003135400000000, -0.0004391200000000 ] - [ -0.0001265500000000, 0.0003191900000000, -0.0006070700000000 ] - [ 0.0009804500000000, 0.0000100400000000, -0.0000864200000000 ] - [ 0.0006440200000000, 0.0000514400000000, 0.0000426500000000 ] - [ 0.0002004000000000, -0.0003605600000000, 0.0002919600000000 ] - [ -0.0002549100000000, 0.0006980000000000, 0.0001434200000000 ] - [ 0.0001576400000000, 0.0000995300000000, 0.0003826600000000 ] - [ 0.0001359200000000, 0.0001121100000000, 0.0003470200000000 ] - [ -0.0008034900000000, -0.0004351300000000, 0.0003412100000000 ] - [ -0.0013976900000000, 0.0001531500000000, -0.0023791200000000 ] - [ 0.0002786800000000, -0.0000587500000000, 0.0004828300000000 ] - [ 0.0001437600000000, -0.0000266200000000, 0.0003793800000000 ] - [ 0.0016588900000000, -0.0029523100000000, -0.0003582200000000 ] - [ 0.0013398300000000, 0.0010432000000000, 0.0009653700000000 ] - [ -0.0004460000000000, 0.0002776800000000, -0.0003561900000000 ] - [ -0.0004617600000000, 0.0000981200000000, -0.0003720400000000 ] - [ 0.0000778100000000, -0.0001890600000000, 0.0002648300000000 ] - [ 0.0001318500000000, 0.0001356300000000, 0.0004083300000000 ] - [ -0.0005052000000000, 0.0000004200000000, -0.0001801900000000 ] - [ -0.0001740600000000, -0.0006541900000000, -0.0003495600000000 ] - [ -0.0012005300000000, -0.0013977400000000, -0.0007311300000000 ] - [ 0.0005468200000000, 0.0002399300000000, -0.0001655200000000 ] - [ 0.0006670700000000, -0.0003666200000000, -0.0002700900000000 ] - [ -0.0001347400000000, 0.0001557100000000, 0.0005470000000000 ] - [ -0.0000624500000000, -0.0002442800000000, -0.0007198300000000 ] - [ -0.0002635900000000, 0.0003391000000000, -0.0003127600000000 ] - [ -0.0003528900000000, -0.0002657500000000, 0.0002493900000000 ] - [ 0.0008958300000000, 0.0004128900000000, 0.0000611900000000 ] - [ -0.0087947800000000, 0.0039580300000000, 0.0378011800000000 ] - [ 0.0005027100000000, -0.0001275300000000, -0.0002767700000000 ] - [ -0.0006576400000000, 0.0002161400000000, 0.0003958500000000 ] - [ -0.0007459900000000, 0.0003346900000000, 0.0005975100000000 ] - [ -0.0002048600000000, 0.0001651500000000, -0.0001880500000000 ] - [ -0.0000440100000000, 0.0000402900000000, 0.0001076500000000 ] - [ -0.0009149800000000, -0.0004481600000000, 0.0005779000000000 ] - [ -0.0004326700000000, -0.0002881900000000, 0.0004539000000000 ] - [ 0.0004698000000000, -0.0005466200000000, -0.0006932000000000 ] - [ -0.0002498900000000, 0.0001132700000000, 0.0002339300000000 ] - [ 0.0006748800000000, -0.0004149000000000, -0.0011396300000000 ] - [ 0.0002491800000000, 0.0000633700000000, 0.0005912400000000 ] - [ -0.0000588600000000, -0.0000085300000000, -0.0000251800000000 ] - [ 0.0002108300000000, 0.0000573300000000, -0.0002950600000000 ] - [ 0.0016984900000000, -0.0017245100000000, 0.0005018500000000 ] - [ 0.0013352600000000, 0.0011455700000000, 0.0010879900000000 ] - [ -0.0013916100000000, -0.0003596800000000, 0.0009118300000000 ] - [ -0.0001217400000000, -0.0006755600000000, 0.0001409600000000 ] - [ 0.0002034500000000, -0.0000240000000000, -0.0007270100000000 ] - [ 0.0004645900000000, -0.0003472700000000, -0.0003647200000000 ] - [ -0.0001289900000000, 0.0003248100000000, 0.0000633400000000 ] - [ -0.0013704300000000, 0.0006631100000000, 0.0016302400000000 ] - [ 0.0001794600000000, 0.0003375600000000, -0.0008322300000000 ] - [ 0.0005697000000000, -0.0000017200000000, -0.0002903300000000 ] - [ -0.0044979800000000, -0.0008072100000000, 0.0017363400000000 ] - [ -0.0004657100000000, 0.0001428500000000, 0.0006828900000000 ] - [ 0.0005733500000000, -0.0004320200000000, 0.0000413000000000 ] - [ 0.0007504100000000, -0.0003150900000000, 0.0000850200000000 ] - [ -0.0042030800000000, -0.0003578100000000, -0.0026032900000000 ] - [ 0.0000780400000000, -0.0002825900000000, 0.0000061300000000 ] - [ 0.0006018300000000, 0.0004674200000000, 0.0000489200000000 ] - [ 0.0007576400000000, -0.0002748800000000, 0.0002832500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0048331200000000, 0.0007751900000000, 0.0141892400000000 ] - [ 0.0002788400000000, -0.0009760000000000, 0.0006098500000000 ] - [ -0.0003269900000000, 0.0012204900000000, 0.0012470200000000 ] - [ 0.0001757800000000, 0.0013045300000000, 0.0012211900000000 ] - [ -0.0023210000000000, 0.0037857200000000, 0.0034284800000000 ] - [ -0.0003213500000000, 0.0003791200000000, 0.0000953800000000 ] - [ 0.0011162400000000, 0.0007237900000000, 0.0004033400000000 ] - [ 0.0000178100000000, 0.0002298600000000, 0.0005409200000000 ] - [ 0.0006743300000000, 0.0009980000000000, -0.0033727300000000 ] - [ 0.0002281900000000, 0.0010704600000000, -0.0025254200000000 ] - [ -0.0007086000000000, 0.0004645300000000, -0.0001541600000000 ] - [ -0.0006518100000000, 0.0001782300000000, -0.0002580300000000 ] - [ 0.0021590700000000, -0.0051705500000000, -0.0020788300000000 ] - [ 0.0001768100000000, -0.0023895000000000, -0.0012602100000000 ] - [ -0.0016189600000000, 0.0030630500000000, -0.0010724300000000 ] - [ 0.0000455400000000, 0.0014476400000000, -0.0006692200000000 ] - [ -0.0011986800000000, -0.0411446700000000, 0.0779810300000000 ] - [ -0.0002902600000000, -0.0004220800000000, -0.0005293400000000 ] - [ 0.0008534600000000, 0.0000030700000000, 0.0000018700000000 ] - [ 0.0008764800000000, 0.0000069700000000, -0.0000184700000000 ] - [ -0.0002667500000000, 0.0003306100000000, -0.0001553000000000 ] - [ -0.0002602700000000, 0.0002638700000000, -0.0002143400000000 ] - [ 0.0007364000000000, 0.0001033900000000, -0.0000026500000000 ] - [ 0.0007409800000000, 0.0000465300000000, -0.0000032200000000 ] - [ 0.0002293300000000, -0.0003964000000000, 0.0004654200000000 ] - [ -0.0002873200000000, 0.0003964700000000, 0.0000734000000000 ] - [ 0.0001566600000000, 0.0001287400000000, 0.0003909800000000 ] - [ 0.0001511700000000, 0.0001470900000000, 0.0003782900000000 ] - [ -0.0003701200000000, -0.0004906700000000, -0.0000801200000000 ] - [ -0.0013215400000000, -0.0015056700000000, -0.0010362100000000 ] - [ -0.0000313000000000, -0.0000795300000000, 0.0002716800000000 ] - [ 0.0001703500000000, -0.0000339300000000, 0.0003878100000000 ] - [ 0.0015164200000000, -0.0012840900000000, -0.0003086600000000 ] - [ -0.0010258600000000, -0.0003538300000000, 0.0000360000000000 ] - [ -0.0005978700000000, 0.0007201300000000, -0.0006439100000000 ] - [ -0.0004437100000000, 0.0004346900000000, -0.0007317600000000 ] - [ 0.0000791600000000, -0.0003296400000000, 0.0000814600000000 ] - [ 0.0000809900000000, -0.0000409800000000, 0.0002654400000000 ] - [ -0.0004342400000000, -0.0000184700000000, 0.0000161400000000 ] - [ -0.0002712200000000, -0.0004860700000000, -0.0002901900000000 ] - [ 0.0001316500000000, 0.0005030900000000, -0.0015573700000000 ] - [ -0.0003402600000000, -0.0003167800000000, -0.0007746200000000 ] - [ 0.0005188600000000, -0.0001448200000000, -0.0003503100000000 ] - [ 0.0003105600000000, -0.0000809100000000, -0.0001527400000000 ] - [ 0.0000397200000000, -0.0002430700000000, -0.0005216300000000 ] - [ -0.0002939000000000, 0.0000060700000000, -0.0005128500000000 ] - [ -0.0003356600000000, -0.0008835900000000, 0.0000270800000000 ] - [ 0.0003012200000000, -0.0000569700000000, 0.0001151400000000 ] - [ 0.0035644000000000, 0.0349471300000000, -0.0869183900000000 ] - [ 0.0000070900000000, 0.0003499100000000, -0.0001218300000000 ] - [ -0.0006579200000000, 0.0001911900000000, 0.0004489400000000 ] - [ -0.0006951800000000, 0.0002148500000000, 0.0004658400000000 ] - [ 0.0006369700000000, 0.0000880300000000, -0.0007464800000000 ] - [ 0.0000600600000000, 0.0000864800000000, -0.0003611500000000 ] - [ -0.0007055500000000, -0.0007122400000000, 0.0006056100000000 ] - [ -0.0006445300000000, -0.0005136000000000, 0.0005152000000000 ] - [ 0.0003080200000000, -0.0003806700000000, -0.0005031200000000 ] - [ 0.0001184200000000, -0.0002705800000000, -0.0003026300000000 ] - [ 0.0013862200000000, 0.0006219100000000, 0.0047214800000000 ] - [ 0.0001974900000000, 0.0001087800000000, 0.0003230800000000 ] - [ 0.0000230700000000, -0.0001840800000000, -0.0001938600000000 ] - [ 0.0000972400000000, -0.0000558700000000, -0.0001507300000000 ] - [ 0.0021344500000000, -0.0004741200000000, 0.0012083700000000 ] - [ 0.0001271100000000, -0.0001006400000000, 0.0007926800000000 ] - [ -0.0011713100000000, -0.0001425700000000, 0.0008079200000000 ] - [ -0.0001886100000000, -0.0007253700000000, 0.0002993200000000 ] - [ 0.0003590900000000, -0.0003126800000000, -0.0005205500000000 ] - [ 0.0003628100000000, -0.0003675000000000, -0.0004771000000000 ] - [ -0.0008513500000000, 0.0007979700000000, 0.0009034600000000 ] - [ -0.0006580200000000, 0.0009829900000000, 0.0021883100000000 ] - [ 0.0001514500000000, -0.0000276000000000, 0.0000020300000000 ] - [ 0.0006291200000000, 0.0002445500000000, -0.0001549500000000 ] - [ 0.0001979800000000, -0.0003771200000000, -0.0005697300000000 ] - [ -0.0004613800000000, 0.0007978600000000, 0.0000537800000000 ] - [ 0.0006726900000000, -0.0005357000000000, 0.0000019700000000 ] - [ 0.0007143300000000, -0.0005534800000000, -0.0000733500000000 ] - [ -0.0001506800000000, 0.0054095300000000, -0.0059380800000000 ] - [ -0.0001124500000000, -0.0001771400000000, 0.0001594600000000 ] - [ 0.0006308900000000, -0.0004117600000000, 0.0002369200000000 ] - [ 0.0007028700000000, -0.0004015900000000, 0.0003451400000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0037340200000000, -0.0009195200000000, -0.0151478000000000 ] - [ -0.0014184000000000, 0.0006340100000000, -0.0015607100000000 ] - [ 0.0006722900000000, 0.0002328100000000, -0.0000013800000000 ] - [ 0.0001476200000000, 0.0001389800000000, 0.0000047500000000 ] - [ 0.0011709000000000, -0.0034583300000000, -0.0043120200000000 ] - [ -0.0008222100000000, -0.0000336200000000, -0.0010492600000000 ] - [ -0.0007656200000000, -0.0021691900000000, 0.0008471100000000 ] - [ 0.0003274700000000, -0.0016832200000000, 0.0007047700000000 ] - [ 0.0010470800000000, 0.0004715600000000, 0.0021596400000000 ] - [ 0.0014286500000000, 0.0004080600000000, 0.0013380200000000 ] - [ -0.0005631100000000, -0.0009050100000000, -0.0007063600000000 ] - [ -0.0006202000000000, -0.0006136500000000, -0.0006063900000000 ] - [ -0.0004991200000000, 0.0037117300000000, 0.0008928800000000 ] - [ 0.0014985200000000, 0.0009139000000000, 0.0000833500000000 ] - [ 0.0003646000000000, -0.0026383100000000, 0.0002136500000000 ] - [ -0.0013265200000000, -0.0010121100000000, -0.0001908400000000 ] - [ 0.0009170400000000, 0.0423893700000000, -0.0808252200000000 ] - [ -0.0002800200000000, -0.0001648400000000, -0.0001508800000000 ] - [ 0.0007962700000000, -0.0000514800000000, -0.0000513500000000 ] - [ 0.0007707800000000, -0.0000556500000000, -0.0000298300000000 ] - [ -0.0003045900000000, 0.0002547900000000, -0.0005194800000000 ] - [ -0.0003099200000000, 0.0003230200000000, -0.0004651300000000 ] - [ 0.0009107500000000, -0.0000547900000000, -0.0000455900000000 ] - [ 0.0009074500000000, 0.0000022600000000, -0.0000455700000000 ] - [ -0.0010928500000000, 0.0010939700000000, -0.0003361000000000 ] - [ -0.0005857000000000, 0.0003052500000000, 0.0000601000000000 ] - [ 0.0001557000000000, 0.0000443400000000, 0.0003868100000000 ] - [ 0.0001606200000000, 0.0000255500000000, 0.0003992500000000 ] - [ -0.0004967300000000, -0.0002178200000000, 0.0002157100000000 ] - [ 0.0004447800000000, 0.0008142700000000, 0.0011568100000000 ] - [ 0.0003455500000000, -0.0000932800000000, 0.0005071900000000 ] - [ 0.0001414700000000, -0.0001388900000000, 0.0003901500000000 ] - [ -0.0013265300000000, 0.0010721000000000, 0.0011973600000000 ] - [ 0.0012104200000000, 0.0001647100000000, 0.0008537800000000 ] - [ -0.0001538900000000, -0.0003553000000000, -0.0000209600000000 ] - [ -0.0003088500000000, -0.0000732400000000, 0.0000745000000000 ] - [ 0.0001041300000000, 0.0005289400000000, 0.0008141600000000 ] - [ 0.0001011500000000, 0.0002249900000000, 0.0006215900000000 ] - [ -0.0003188800000000, -0.0003491300000000, -0.0006823500000000 ] - [ -0.0004793500000000, 0.0001215400000000, -0.0003730900000000 ] - [ -0.0004974500000000, -0.0008916500000000, 0.0007042700000000 ] - [ -0.0000336200000000, -0.0001049200000000, -0.0000996900000000 ] - [ 0.0000115100000000, -0.0001531700000000, 0.0006726400000000 ] - [ 0.0002267600000000, -0.0002206000000000, 0.0004720400000000 ] - [ -0.0004137700000000, 0.0006653000000000, -0.0003555300000000 ] - [ -0.0000819400000000, 0.0004168500000000, -0.0003628500000000 ] - [ 0.0008660600000000, 0.0011755500000000, 0.0002839000000000 ] - [ 0.0002334900000000, 0.0003560600000000, 0.0002040400000000 ] - [ -0.0037071400000000, -0.0371788100000000, 0.0887142300000000 ] - [ 0.0002710100000000, -0.0003997300000000, -0.0002918100000000 ] - [ -0.0007236700000000, 0.0004280000000000, 0.0005714800000000 ] - [ -0.0006839300000000, 0.0004042300000000, 0.0005547700000000 ] - [ -0.0003687000000000, -0.0000378300000000, 0.0003318900000000 ] - [ 0.0002189000000000, -0.0000360200000000, -0.0000551100000000 ] - [ -0.0006750400000000, 0.0000920000000000, 0.0004145400000000 ] - [ -0.0007357800000000, -0.0001052600000000, 0.0005056900000000 ] - [ -0.0001769800000000, 0.0002547000000000, 0.0002087000000000 ] - [ 0.0000185900000000, 0.0001470500000000, 0.0000062800000000 ] - [ -0.0005561000000000, -0.0010436300000000, -0.0035029200000000 ] - [ 0.0006458400000000, -0.0005141800000000, 0.0009350300000000 ] - [ 0.0001113200000000, 0.0003079700000000, -0.0001054700000000 ] - [ 0.0000348800000000, 0.0001801700000000, -0.0001422900000000 ] - [ -0.0012804800000000, 0.0008827100000000, 0.0000391700000000 ] - [ 0.0007149000000000, 0.0005093700000000, 0.0004655300000000 ] - [ -0.0000058100000000, -0.0008137900000000, 0.0002182900000000 ] - [ -0.0009997600000000, -0.0002274400000000, 0.0007237500000000 ] - [ 0.0003109500000000, -0.0000306100000000, -0.0005659300000000 ] - [ 0.0003062600000000, 0.0000275300000000, -0.0006110400000000 ] - [ -0.0003261400000000, 0.0001561500000000, 0.0001115900000000 ] - [ -0.0005250900000000, -0.0000279100000000, -0.0011835500000000 ] - [ 0.0005198900000000, 0.0003718200000000, -0.0010957400000000 ] - [ 0.0000371800000000, 0.0000942600000000, -0.0009358900000000 ] - [ -0.0005093700000000, 0.0009150200000000, 0.0006763200000000 ] - [ 0.0000629600000000, -0.0002834500000000, 0.0000849200000000 ] - [ 0.0006493600000000, 0.0000967800000000, 0.0002613100000000 ] - [ 0.0006073000000000, 0.0001106600000000, 0.0003329400000000 ] - [ -0.0002573100000000, -0.0057856600000000, 0.0060978600000000 ] - [ -0.0002820100000000, -0.0003308100000000, -0.0000204100000000 ] - [ 0.0006912700000000, 0.0008580300000000, 0.0000224000000000 ] - [ 0.0006169100000000, 0.0008465800000000, -0.0000866300000000 ]- atom: 17 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ -0.0125540700000000, 0.0074006700000000, 0.0196248700000000 ] - [ 0.0011350600000000, -0.0011276100000000, 0.0006426800000000 ] - [ -0.0023274200000000, 0.0013890300000000, 0.0027333600000000 ] - [ 0.0032769300000000, 0.0025742000000000, 0.0023899600000000 ] - [ -0.0085218400000000, 0.0148704200000000, 0.0003140300000000 ] - [ -0.0005263800000000, -0.0003090500000000, -0.0016567500000000 ] - [ 0.0026996100000000, 0.0011601300000000, -0.0003852800000000 ] - [ -0.0011137000000000, 0.0001481900000000, 0.0005780100000000 ] - [ -0.0038383900000000, -0.0075081900000000, -0.0016580900000000 ] - [ 0.0008815700000000, 0.0014771200000000, -0.0032389500000000 ] - [ -0.0010152100000000, 0.0018693100000000, 0.0007384100000000 ] - [ -0.0002249600000000, 0.0004705100000000, 0.0002856100000000 ] - [ 0.0005952900000000, -0.0130154900000000, 0.0087671500000000 ] - [ 0.0014018400000000, -0.0005181100000000, 0.0014037200000000 ] - [ -0.0000658600000000, 0.0046405700000000, -0.0033409300000000 ] - [ -0.0011252100000000, -0.0000229900000000, -0.0012448500000000 ] - [ 0.0539733200000000, 0.0663129000000000, -0.3222347900000000 ] - [ -0.0005888700000000, -0.0004556000000000, -0.0002091000000000 ] - [ 0.0005654500000000, 0.0000312100000000, 0.0001483100000000 ] - [ 0.0011517800000000, -0.0000314000000000, -0.0000950100000000 ] - [ -0.0003619200000000, 0.0001439000000000, 0.0015011200000000 ] - [ 0.0000263500000000, 0.0001964400000000, -0.0002723600000000 ] - [ 0.0008578000000000, 0.0000802700000000, -0.0001177900000000 ] - [ 0.0005799500000000, 0.0000505800000000, 0.0000662200000000 ] - [ 0.0004538700000000, -0.0006895700000000, 0.0005822800000000 ] - [ -0.0008030600000000, 0.0002884700000000, 0.0003636700000000 ] - [ 0.0001027600000000, 0.0000936400000000, 0.0003698500000000 ] - [ 0.0001498100000000, 0.0001708300000000, 0.0004159900000000 ] - [ -0.0009784400000000, -0.0006148100000000, 0.0000882800000000 ] - [ 0.0013538100000000, -0.0014925300000000, -0.0006946300000000 ] - [ 0.0001842300000000, -0.0001115000000000, 0.0003473900000000 ] - [ 0.0002417500000000, 0.0000319700000000, 0.0004135900000000 ] - [ 0.0037724000000000, -0.0060793700000000, 0.0020359900000000 ] - [ 0.0000160600000000, 0.0000815300000000, 0.0009903300000000 ] - [ -0.0004981300000000, 0.0023607900000000, -0.0021298100000000 ] - [ -0.0006222400000000, 0.0000766700000000, -0.0008256600000000 ] - [ 0.0003480600000000, -0.0036322000000000, -0.0019282400000000 ] - [ 0.0000495900000000, -0.0001074800000000, 0.0001111700000000 ] - [ -0.0006083900000000, 0.0011181300000000, 0.0011118700000000 ] - [ -0.0001422600000000, -0.0006368400000000, -0.0002812000000000 ] - [ -0.0022144800000000, -0.0048151200000000, -0.0022987700000000 ] - [ 0.0002081700000000, 0.0000655300000000, -0.0008474700000000 ] - [ 0.0017534300000000, -0.0007355900000000, -0.0012762000000000 ] - [ -0.0009835900000000, 0.0004522300000000, 0.0001590700000000 ] - [ 0.0004859800000000, -0.0007562600000000, -0.0003449800000000 ] - [ -0.0005595000000000, 0.0001517800000000, -0.0002523100000000 ] - [ -0.0014806300000000, -0.0023415700000000, 0.0012267500000000 ] - [ 0.0009486800000000, 0.0004411500000000, 0.0000884700000000 ] - [ -0.0433628900000000, -0.0558005500000000, 0.3185037200000000 ] - [ 0.0005141400000000, 0.0000517200000000, -0.0006210400000000 ] - [ -0.0001617800000000, 0.0000999200000000, 0.0002158500000000 ] - [ -0.0011313400000000, 0.0002112000000000, 0.0005319600000000 ] - [ 0.0028315800000000, -0.0002310300000000, -0.0027886300000000 ] - [ -0.0008085400000000, 0.0000722500000000, -0.0000144200000000 ] - [ -0.0010067700000000, -0.0008684100000000, 0.0007905100000000 ] - [ -0.0003686500000000, -0.0003856400000000, 0.0004172300000000 ] - [ 0.0005995100000000, -0.0008732900000000, -0.0008605000000000 ] - [ -0.0006816700000000, -0.0001837200000000, 0.0004892100000000 ] - [ -0.0006331800000000, -0.0006762800000000, -0.0047019900000000 ] - [ -0.0010789800000000, 0.0004160000000000, -0.0021706400000000 ] - [ -0.0002270700000000, -0.0003708600000000, 0.0001465300000000 ] - [ 0.0004080000000000, -0.0000469100000000, -0.0005440300000000 ] - [ 0.0027899300000000, -0.0012447700000000, 0.0037617800000000 ] - [ 0.0011691600000000, 0.0007843600000000, 0.0021559100000000 ] - [ -0.0018825300000000, -0.0000869200000000, 0.0009244900000000 ] - [ 0.0012224800000000, 0.0002395100000000, -0.0002270200000000 ] - [ 0.0000734600000000, 0.0000914300000000, -0.0010416000000000 ] - [ 0.0003665400000000, -0.0006029900000000, -0.0006308200000000 ] - [ 0.0003416900000000, 0.0004325600000000, 0.0000287600000000 ] - [ -0.0021939800000000, 0.0023574000000000, 0.0009288900000000 ] - [ 0.0007567500000000, 0.0006805800000000, 0.0000441100000000 ] - [ 0.0004295000000000, -0.0003618100000000, -0.0001065100000000 ] - [ 0.0018909200000000, 0.0027567000000000, -0.0020850300000000 ] - [ -0.0012492300000000, 0.0006437700000000, -0.0000266400000000 ] - [ 0.0005485400000000, -0.0012839800000000, -0.0003638800000000 ] - [ 0.0005818300000000, -0.0006450500000000, -0.0003213600000000 ] - [ 0.0026354700000000, -0.0077913800000000, -0.0153159000000000 ] - [ 0.0000559200000000, 0.0002163000000000, -0.0000765500000000 ] - [ 0.0007918200000000, -0.0000675100000000, 0.0002720300000000 ] - [ 0.0007203900000000, -0.0006795000000000, 0.0005205900000000 ]- atom: 17 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ 0.0111489900000000, -0.0074607100000000, -0.0206352500000000 ] - [ -0.0022151800000000, 0.0007669200000000, -0.0015494500000000 ] - [ 0.0026308800000000, 0.0000732700000000, -0.0014506400000000 ] - [ -0.0028851900000000, -0.0010853400000000, -0.0011164800000000 ] - [ 0.0071330100000000, -0.0141449600000000, -0.0013124500000000 ] - [ -0.0005994500000000, 0.0006496600000000, 0.0006883200000000 ] - [ -0.0023085000000000, -0.0025763700000000, 0.0016118800000000 ] - [ 0.0014383300000000, -0.0015822000000000, 0.0006628300000000 ] - [ 0.0054344800000000, 0.0088639200000000, 0.0004235000000000 ] - [ 0.0008158800000000, -0.0000029400000000, 0.0020203700000000 ] - [ -0.0002618200000000, -0.0022477000000000, -0.0015701100000000 ] - [ -0.0010413300000000, -0.0008931900000000, -0.0011295700000000 ] - [ 0.0010700600000000, 0.0112146700000000, -0.0097531200000000 ] - [ 0.0002970000000000, -0.0009455100000000, -0.0025193800000000 ] - [ -0.0012070800000000, -0.0041745300000000, 0.0024587000000000 ] - [ -0.0001513500000000, 0.0004704900000000, 0.0003699100000000 ] - [ -0.0549612000000000, -0.0718807000000000, 0.3460648400000000 ] - [ 0.0000160700000000, -0.0001344000000000, -0.0004684900000000 ] - [ 0.0010762100000000, -0.0000789300000000, -0.0001937700000000 ] - [ 0.0005047600000000, -0.0000173000000000, 0.0000446300000000 ] - [ -0.0002092800000000, 0.0004387600000000, -0.0021369100000000 ] - [ -0.0005893400000000, 0.0003876000000000, -0.0004012600000000 ] - [ 0.0007881400000000, -0.0000299900000000, 0.0000682200000000 ] - [ 0.0010663200000000, -0.0000018700000000, -0.0001140300000000 ] - [ -0.0013055700000000, 0.0013776800000000, -0.0004330700000000 ] - [ -0.0000772700000000, 0.0004121700000000, -0.0002214400000000 ] - [ 0.0002075800000000, 0.0000791100000000, 0.0004075900000000 ] - [ 0.0001623500000000, 0.0000036500000000, 0.0003632700000000 ] - [ 0.0001006800000000, -0.0001005700000000, 0.0000448900000000 ] - [ -0.0022030600000000, 0.0007570000000000, 0.0008053400000000 ] - [ 0.0001255900000000, -0.0000623900000000, 0.0004275600000000 ] - [ 0.0000715100000000, -0.0002034600000000, 0.0003650300000000 ] - [ -0.0035794000000000, 0.0058784700000000, -0.0011167800000000 ] - [ 0.0001514100000000, -0.0002708100000000, -0.0000984900000000 ] - [ -0.0002592200000000, -0.0019442500000000, 0.0014269400000000 ] - [ -0.0001351200000000, 0.0002810700000000, 0.0001564900000000 ] - [ -0.0001545800000000, 0.0037173700000000, 0.0027583200000000 ] - [ 0.0001313900000000, 0.0002848800000000, 0.0007672700000000 ] - [ -0.0001475800000000, -0.0014590800000000, -0.0017476100000000 ] - [ -0.0006066900000000, 0.0002669800000000, -0.0003798300000000 ] - [ 0.0018191000000000, 0.0043282500000000, 0.0014060300000000 ] - [ -0.0005852100000000, -0.0004857600000000, -0.0000393700000000 ] - [ -0.0011896100000000, 0.0004249200000000, 0.0015717800000000 ] - [ 0.0014937200000000, -0.0007425800000000, 0.0001580200000000 ] - [ -0.0008437100000000, 0.0011581400000000, -0.0005228000000000 ] - [ 0.0001766700000000, 0.0002677900000000, -0.0006202100000000 ] - [ 0.0019817400000000, 0.0025871700000000, -0.0008803300000000 ] - [ -0.0004066200000000, -0.0001378900000000, 0.0002306500000000 ] - [ 0.0443369400000000, 0.0608550200000000, -0.3426989700000000 ] - [ -0.0002344300000000, -0.0000998900000000, 0.0001976500000000 ] - [ -0.0012070400000000, 0.0005150400000000, 0.0008001700000000 ] - [ -0.0002589600000000, 0.0004047300000000, 0.0004882000000000 ] - [ -0.0024918300000000, 0.0002739200000000, 0.0023166800000000 ] - [ 0.0010604500000000, -0.0000199400000000, -0.0004002100000000 ] - [ -0.0003767100000000, 0.0002392800000000, 0.0002350200000000 ] - [ -0.0010092300000000, -0.0002351800000000, 0.0006018800000000 ] - [ -0.0004596700000000, 0.0007443500000000, 0.0005579400000000 ] - [ 0.0008046200000000, 0.0000555400000000, -0.0007772700000000 ] - [ 0.0014380700000000, 0.0002340100000000, 0.0058000800000000 ] - [ 0.0018831000000000, -0.0008042100000000, 0.0033588400000000 ] - [ 0.0003542200000000, 0.0004854500000000, -0.0004345000000000 ] - [ -0.0002684000000000, 0.0001684200000000, 0.0002418200000000 ] - [ -0.0019113400000000, 0.0016332300000000, -0.0024173500000000 ] - [ -0.0003223600000000, -0.0003788700000000, -0.0008741200000000 ] - [ 0.0006791800000000, -0.0008604400000000, 0.0000973900000000 ] - [ -0.0023703900000000, -0.0011762100000000, 0.0012340500000000 ] - [ 0.0005927000000000, -0.0004287800000000, -0.0000558100000000 ] - [ 0.0003001600000000, 0.0002538600000000, -0.0004635800000000 ] - [ -0.0015004300000000, 0.0005213400000000, 0.0009769600000000 ] - [ 0.0009859500000000, -0.0013591300000000, 0.0001102800000000 ] - [ -0.0000792400000000, -0.0003323100000000, -0.0011160100000000 ] - [ 0.0002346800000000, 0.0006936300000000, -0.0009861400000000 ] - [ -0.0021587900000000, -0.0021837400000000, 0.0021701600000000 ] - [ 0.0008278300000000, -0.0001257800000000, 0.0001564400000000 ] - [ 0.0007721600000000, 0.0008214900000000, 0.0006156600000000 ] - [ 0.0007348500000000, 0.0001892100000000, 0.0005706700000000 ] - [ -0.0029573100000000, 0.0069826600000000, 0.0148550800000000 ] - [ -0.0004481400000000, -0.0007103500000000, 0.0002114900000000 ] - [ 0.0005323700000000, 0.0005018100000000, -0.0000082900000000 ] - [ 0.0005985100000000, 0.0011153300000000, -0.0002557900000000 ]- atom: 19 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ -0.0065320700000000, 0.0004992800000000, 0.0016876400000000 ] - [ 0.0020902000000000, 0.0003846700000000, -0.0000688000000000 ] - [ 0.0254741700000000, 0.0177694100000000, 0.0139306800000000 ] - [ 0.0142888700000000, -0.0198904100000000, -0.0013918300000000 ] - [ -0.0018466100000000, 0.0009902600000000, -0.0017000000000000 ] - [ 0.0014710700000000, 0.0007004300000000, 0.0015171900000000 ] - [ 0.0008076500000000, -0.0018616700000000, -0.0002364100000000 ] - [ -0.0024574900000000, -0.0005846800000000, 0.0023893300000000 ] - [ -0.0000498300000000, 0.0018503100000000, -0.0002975800000000 ] - [ 0.0017130600000000, 0.0009506500000000, -0.0004558800000000 ] - [ 0.0044699600000000, -0.0084495000000000, -0.0019863200000000 ] - [ 0.0000123500000000, 0.0172082100000000, 0.0071242300000000 ] - [ 0.0009078300000000, 0.0037152200000000, -0.0026930200000000 ] - [ 0.0007807600000000, -0.0034867800000000, 0.0005356900000000 ] - [ -0.0028778600000000, 0.0018513600000000, 0.0027212100000000 ] - [ -0.0008412900000000, -0.0013801800000000, -0.0029880800000000 ] - [ -0.0002949800000000, -0.0002649700000000, -0.0006369300000000 ] - [ -0.0002882600000000, -0.0002411600000000, 0.0000292300000000 ] - [ -0.2817260500000000, -0.0117801800000000, 0.0921340100000000 ] - [ 0.0038934800000000, 0.0004731400000000, -0.0015764700000000 ] - [ -0.0004386500000000, 0.0003800500000000, -0.0003916000000000 ] - [ -0.0001069900000000, 0.0003758500000000, -0.0005136400000000 ] - [ 0.0006617200000000, 0.0000444700000000, -0.0003595700000000 ] - [ 0.0014381400000000, -0.0002004100000000, 0.0002139200000000 ] - [ -0.0004682200000000, 0.0004751000000000, -0.0000515000000000 ] - [ -0.0003369300000000, 0.0004076200000000, 0.0001157900000000 ] - [ -0.0019256200000000, 0.0009089200000000, 0.0002279300000000 ] - [ 0.0006990500000000, 0.0000049900000000, 0.0006966800000000 ] - [ -0.0005407100000000, -0.0003835700000000, 0.0000146100000000 ] - [ -0.0003572400000000, -0.0001596500000000, 0.0001698500000000 ] - [ 0.0004663200000000, 0.0003411200000000, -0.0012997500000000 ] - [ 0.0004515400000000, -0.0003093300000000, 0.0010481400000000 ] - [ 0.0009565500000000, -0.0006911600000000, 0.0002527400000000 ] - [ -0.0003422600000000, 0.0002912700000000, 0.0003379500000000 ] - [ -0.0044124900000000, -0.0053164700000000, 0.0022136300000000 ] - [ -0.0006458300000000, 0.0049397000000000, -0.0031856900000000 ] - [ 0.0000859300000000, 0.0016413100000000, 0.0019538800000000 ] - [ 0.0004119900000000, -0.0034812300000000, -0.0021106600000000 ] - [ -0.0002604800000000, -0.0002252800000000, -0.0005019600000000 ] - [ -0.0004682000000000, -0.0001810200000000, -0.0002658200000000 ] - [ 0.0024554800000000, 0.0033541600000000, 0.0008450100000000 ] - [ -0.0017735300000000, -0.0012273800000000, -0.0011942600000000 ] - [ 0.0033891800000000, -0.0067571600000000, -0.0018183700000000 ] - [ -0.0011201000000000, 0.0011274600000000, 0.0005065300000000 ] - [ 0.0009398300000000, -0.0003274400000000, -0.0000377200000000 ] - [ -0.0014910500000000, 0.0007143700000000, -0.0013577500000000 ] - [ 0.0000244200000000, -0.0001582800000000, 0.0004595100000000 ] - [ 0.0003393100000000, -0.0001357200000000, -0.0005583600000000 ] - [ 0.0004157000000000, 0.0001939500000000, 0.0000961400000000 ] - [ -0.0000063200000000, -0.0002988700000000, -0.0006230000000000 ] - [ 0.2750836200000000, 0.0116988600000000, -0.1066449000000000 ] - [ -0.0064672300000000, 0.0009191900000000, -0.0004694100000000 ] - [ 0.0005315000000000, -0.0002644900000000, -0.0000736800000000 ] - [ -0.0003888200000000, -0.0000958200000000, -0.0001902700000000 ] - [ 0.0000169600000000, -0.0004381000000000, 0.0014590000000000 ] - [ -0.0011049800000000, 0.0001854400000000, -0.0003816600000000 ] - [ 0.0020381300000000, -0.0022385600000000, -0.0090575800000000 ] - [ -0.0036471700000000, 0.0018994300000000, 0.0044174100000000 ] - [ 0.0013937900000000, 0.0000440500000000, 0.0012420100000000 ] - [ -0.0003428500000000, -0.0007928000000000, -0.0000789400000000 ] - [ -0.0012580800000000, 0.0004622200000000, 0.0014792200000000 ] - [ 0.0026476600000000, -0.0004774800000000, -0.0033924300000000 ] - [ 0.0006354500000000, 0.0000606500000000, 0.0010281600000000 ] - [ 0.0001504200000000, 0.0001465300000000, 0.0001801400000000 ] - [ -0.0011925600000000, -0.0010826100000000, 0.0013109600000000 ] - [ -0.0001389100000000, -0.0002392400000000, -0.0000628300000000 ] - [ 0.0029720800000000, -0.0017675800000000, -0.0001673300000000 ] - [ -0.0019102500000000, 0.0006825500000000, -0.0013018100000000 ] - [ -0.0001451300000000, 0.0009461500000000, 0.0005251200000000 ] - [ -0.0010454500000000, -0.0003290400000000, 0.0007247100000000 ] - [ 0.0013638900000000, 0.0002591400000000, 0.0008875400000000 ] - [ -0.0007576600000000, -0.0001631700000000, -0.0020129100000000 ] - [ 0.0002065400000000, -0.0010831000000000, -0.0004906800000000 ] - [ -0.0005385100000000, 0.0001165200000000, 0.0001115800000000 ] - [ -0.0217297200000000, -0.0050491800000000, 0.0081473600000000 ] - [ -0.0051037700000000, 0.0023245800000000, -0.0003325100000000 ] - [ -0.0002152200000000, -0.0011626400000000, 0.0007342100000000 ] - [ -0.0000968900000000, -0.0001730500000000, -0.0006528100000000 ] - [ 0.0013450600000000, 0.0005092300000000, 0.0007652300000000 ] - [ 0.0006625800000000, 0.0013015400000000, -0.0006234100000000 ]- atom: 19 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ 0.0054905400000000, -0.0008564000000000, -0.0026849900000000 ] - [ -0.0032868000000000, -0.0007460900000000, -0.0008966500000000 ] - [ -0.0252065800000000, -0.0166129700000000, -0.0131621700000000 ] - [ -0.0142975400000000, 0.0218918100000000, 0.0026534200000000 ] - [ 0.0007283100000000, -0.0006519000000000, 0.0007752000000000 ] - [ -0.0026521000000000, -0.0003575800000000, -0.0025149500000000 ] - [ -0.0004848500000000, 0.0004232500000000, 0.0015113000000000 ] - [ 0.0028550200000000, -0.0008525900000000, -0.0011571600000000 ] - [ 0.0017400400000000, -0.0003885500000000, -0.0008859800000000 ] - [ -0.0000629200000000, 0.0005316500000000, -0.0007250700000000 ] - [ -0.0058360300000000, 0.0082152400000000, 0.0011551600000000 ] - [ -0.0012773900000000, -0.0180496600000000, -0.0081993400000000 ] - [ 0.0007691700000000, -0.0053150800000000, 0.0015652500000000 ] - [ 0.0008942700000000, 0.0020534400000000, -0.0017328900000000 ] - [ 0.0016192000000000, -0.0014303900000000, -0.0035995700000000 ] - [ -0.0004300100000000, 0.0018354200000000, 0.0022036200000000 ] - [ -0.0002756100000000, -0.0003222800000000, -0.0000352200000000 ] - [ -0.0002812600000000, -0.0003467900000000, -0.0007166300000000 ] - [ 0.2620127300000000, 0.0101264200000000, -0.0816142300000000 ] - [ -0.0023217400000000, -0.0005348500000000, 0.0015680500000000 ] - [ -0.0001280000000000, 0.0002058800000000, -0.0002892500000000 ] - [ -0.0004672800000000, 0.0002095200000000, -0.0001624400000000 ] - [ 0.0009832100000000, 0.0000048000000000, 0.0003215400000000 ] - [ 0.0002034600000000, 0.0002512700000000, -0.0002660700000000 ] - [ -0.0003999800000000, 0.0002313800000000, 0.0001892600000000 ] - [ -0.0005329500000000, 0.0003004500000000, 0.0000184800000000 ] - [ 0.0022784100000000, -0.0007503400000000, 0.0005494300000000 ] - [ -0.0004009100000000, 0.0001748500000000, 0.0000733900000000 ] - [ -0.0003261100000000, -0.0003246000000000, 0.0001218600000000 ] - [ -0.0005129700000000, -0.0005538200000000, -0.0000369900000000 ] - [ -0.0001608700000000, -0.0005237400000000, 0.0021138000000000 ] - [ -0.0001429600000000, 0.0001383600000000, -0.0002809500000000 ] - [ -0.0007875100000000, 0.0005151500000000, 0.0006381300000000 ] - [ 0.0005339700000000, -0.0004779300000000, 0.0005483300000000 ] - [ 0.0037421800000000, 0.0058381300000000, -0.0029331600000000 ] - [ -0.0001162700000000, -0.0046760500000000, 0.0025883500000000 ] - [ 0.0000978000000000, -0.0014962500000000, -0.0011008800000000 ] - [ -0.0002390100000000, 0.0037373000000000, 0.0030561400000000 ] - [ -0.0004931500000000, -0.0001367300000000, -0.0001598700000000 ] - [ -0.0002809500000000, -0.0001875400000000, -0.0004013800000000 ] - [ -0.0028840600000000, -0.0038529500000000, -0.0017398700000000 ] - [ 0.0014287200000000, 0.0008273000000000, 0.0003396000000000 ] - [ -0.0029147200000000, 0.0065538500000000, 0.0021734000000000 ] - [ 0.0016820000000000, -0.0014514700000000, -0.0001917800000000 ] - [ -0.0013327800000000, 0.0007533700000000, -0.0008459500000000 ] - [ 0.0011435300000000, -0.0003030500000000, 0.0005023500000000 ] - [ 0.0005168800000000, 0.0004641200000000, -0.0001495100000000 ] - [ 0.0001894200000000, 0.0004336500000000, 0.0008905900000000 ] - [ -0.0001424300000000, -0.0002498900000000, -0.0005187400000000 ] - [ 0.0002853300000000, 0.0002546800000000, 0.0002163800000000 ] - [ -0.2558035200000000, -0.0096617900000000, 0.0979427100000000 ] - [ 0.0052157400000000, -0.0003168000000000, 0.0015049600000000 ] - [ -0.0002637300000000, 0.0003195200000000, -0.0003433000000000 ] - [ 0.0006768700000000, 0.0001478900000000, -0.0002261200000000 ] - [ -0.0014090600000000, -0.0001749500000000, -0.0004658700000000 ] - [ -0.0002726000000000, -0.0008126600000000, 0.0014177600000000 ] - [ -0.0019509200000000, 0.0021136000000000, 0.0088371900000000 ] - [ 0.0038716100000000, -0.0020731300000000, -0.0048181900000000 ] - [ -0.0005725300000000, -0.0004504600000000, 0.0000038300000000 ] - [ 0.0011988400000000, 0.0004061100000000, 0.0013537500000000 ] - [ 0.0014224700000000, -0.0003467800000000, -0.0018131400000000 ] - [ -0.0025876400000000, 0.0006018300000000, 0.0031730000000000 ] - [ 0.0002006500000000, 0.0003440200000000, 0.0002197300000000 ] - [ 0.0006937000000000, 0.0002571000000000, 0.0010843000000000 ] - [ 0.0000272300000000, 0.0001377900000000, -0.0003094000000000 ] - [ -0.0010519400000000, -0.0007247900000000, 0.0010952800000000 ] - [ -0.0023541600000000, 0.0014650600000000, -0.0009261900000000 ] - [ 0.0026278900000000, -0.0010462100000000, 0.0002281600000000 ] - [ -0.0010445000000000, 0.0000020700000000, 0.0004933500000000 ] - [ -0.0001203600000000, 0.0013034000000000, 0.0002832600000000 ] - [ -0.0007160300000000, 0.0000807300000000, -0.0020080200000000 ] - [ 0.0014406600000000, 0.0005072200000000, 0.0009396700000000 ] - [ -0.0006080200000000, 0.0016132500000000, 0.0006408600000000 ] - [ 0.0001522400000000, 0.0003958000000000, 0.0000273800000000 ] - [ 0.0239492800000000, 0.0048295700000000, -0.0083198300000000 ] - [ 0.0066123600000000, -0.0028385900000000, 0.0006561100000000 ] - [ -0.0001773700000000, 0.0006740800000000, -0.0006109900000000 ] - [ -0.0002995800000000, -0.0003376900000000, 0.0008071800000000 ] - [ -0.0000351800000000, -0.0000680700000000, -0.0005306800000000 ] - [ 0.0006591500000000, -0.0008689400000000, 0.0008919000000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013345600000000, 0.0021376300000000, 0.0010265300000000 ] - [ -0.0004182200000000, 0.0003054100000000, -0.0004680900000000 ] - [ 0.0153121900000000, 0.0045672600000000, 0.0002470500000000 ] - [ -0.0037660600000000, -0.0050050100000000, 0.0030943200000000 ] - [ -0.0009866600000000, 0.0006117900000000, -0.0008461500000000 ] - [ -0.0003420800000000, 0.0010579200000000, -0.0003189500000000 ] - [ 0.0004178000000000, -0.0012153600000000, -0.0000209400000000 ] - [ -0.0010778200000000, -0.0004046100000000, 0.0026766900000000 ] - [ 0.0001948400000000, 0.0022069300000000, -0.0009050100000000 ] - [ 0.0010956300000000, 0.0009976500000000, -0.0004344000000000 ] - [ 0.0004976600000000, -0.0036270400000000, 0.0000564800000000 ] - [ 0.0051635100000000, 0.0034026400000000, 0.0001917400000000 ] - [ 0.0017698400000000, -0.0019147300000000, -0.0005448500000000 ] - [ 0.0006113900000000, 0.0012879300000000, -0.0015700200000000 ] - [ -0.0011185100000000, 0.0000376100000000, 0.0007995500000000 ] - [ -0.0005063900000000, -0.0007190700000000, -0.0012429600000000 ] - [ -0.0002953400000000, -0.0002663200000000, -0.0002817600000000 ] - [ -0.0002840100000000, -0.0002623400000000, -0.0003482500000000 ] - [ -0.0086211200000000, -0.0338819900000000, -0.0101535700000000 ] - [ 0.0013240500000000, 0.0001918000000000, -0.0004784100000000 ] - [ -0.0002991100000000, 0.0003727200000000, -0.0004130100000000 ] - [ -0.0002581500000000, 0.0003157700000000, -0.0003545200000000 ] - [ 0.0008044400000000, 0.0000355700000000, -0.0000797200000000 ] - [ 0.0010488800000000, -0.0000923100000000, 0.0000336500000000 ] - [ -0.0004277600000000, 0.0004513700000000, 0.0000664200000000 ] - [ -0.0003848600000000, 0.0004117600000000, 0.0000601200000000 ] - [ 0.0006916800000000, 0.0016687800000000, -0.0016466200000000 ] - [ 0.0001657400000000, 0.0001415300000000, 0.0004506800000000 ] - [ -0.0003894500000000, -0.0002962000000000, 0.0000915600000000 ] - [ -0.0004387900000000, -0.0003408100000000, 0.0000193600000000 ] - [ 0.0003039100000000, 0.0000151900000000, 0.0003639200000000 ] - [ 0.0000440100000000, -0.0002825600000000, 0.0002221500000000 ] - [ 0.0002114800000000, -0.0001100700000000, 0.0000891200000000 ] - [ 0.0000438000000000, 0.0000372600000000, 0.0003076200000000 ] - [ 0.0020114600000000, 0.0033618500000000, -0.0011556200000000 ] - [ 0.0017735400000000, -0.0004475000000000, -0.0002990500000000 ] - [ 0.0001406500000000, 0.0006181400000000, 0.0010505900000000 ] - [ -0.0002246100000000, -0.0004941600000000, 0.0000180400000000 ] - [ -0.0003783200000000, -0.0003781100000000, -0.0000674900000000 ] - [ -0.0003996000000000, -0.0002245600000000, -0.0004207100000000 ] - [ 0.0009118200000000, 0.0001548500000000, -0.0009801400000000 ] - [ -0.0006428400000000, -0.0004048500000000, -0.0004105400000000 ] - [ -0.0012366500000000, -0.0017298600000000, 0.0000206900000000 ] - [ 0.0008035300000000, -0.0002895900000000, -0.0000712900000000 ] - [ 0.0002897600000000, -0.0001557200000000, -0.0004826700000000 ] - [ -0.0005214000000000, 0.0002749300000000, -0.0005273900000000 ] - [ 0.0002286700000000, 0.0000982300000000, 0.0002671700000000 ] - [ 0.0001515700000000, -0.0003034000000000, -0.0000760900000000 ] - [ 0.0001606900000000, -0.0002761700000000, -0.0003558100000000 ] - [ 0.0000778300000000, -0.0001363300000000, -0.0002109000000000 ] - [ -0.0025826700000000, 0.0192603000000000, 0.0115969200000000 ] - [ -0.0020045200000000, 0.0007924000000000, 0.0000330000000000 ] - [ 0.0001465400000000, -0.0000470100000000, -0.0001077000000000 ] - [ 0.0001136500000000, -0.0002632500000000, -0.0001627800000000 ] - [ -0.0006066900000000, -0.0002326200000000, 0.0007119100000000 ] - [ -0.0007516400000000, -0.0000846400000000, 0.0001423400000000 ] - [ 0.0001233200000000, 0.0002437700000000, -0.0019370700000000 ] - [ -0.0010697200000000, 0.0006634000000000, 0.0012774900000000 ] - [ 0.0004804000000000, -0.0005345800000000, 0.0005524600000000 ] - [ 0.0003694100000000, -0.0001276800000000, 0.0008432000000000 ] - [ -0.0002237600000000, 0.0002278000000000, 0.0002037100000000 ] - [ -0.0002574900000000, -0.0004751100000000, -0.0020103900000000 ] - [ 0.0004026400000000, 0.0000837800000000, 0.0006146300000000 ] - [ 0.0006421800000000, 0.0000968500000000, 0.0009152000000000 ] - [ -0.0009093600000000, -0.0007332500000000, 0.0007118300000000 ] - [ -0.0003857200000000, -0.0003998500000000, 0.0002738500000000 ] - [ -0.0008127600000000, -0.0018982300000000, 0.0002457500000000 ] - [ -0.0005494800000000, -0.0001132200000000, -0.0009628600000000 ] - [ -0.0006647500000000, 0.0004520800000000, 0.0008179200000000 ] - [ -0.0004326600000000, 0.0006538600000000, 0.0002131900000000 ] - [ 0.0004434200000000, 0.0003138000000000, -0.0004503900000000 ] - [ 0.0003305900000000, 0.0001973000000000, -0.0005229600000000 ] - [ -0.0001839800000000, -0.0005346500000000, -0.0002294800000000 ] - [ -0.0002455200000000, -0.0000176900000000, 0.0000117800000000 ] - [ -0.0029945800000000, 0.0113615300000000, 0.0014564300000000 ] - [ -0.0015340000000000, -0.0004389800000000, -0.0007230500000000 ] - [ -0.0001581100000000, -0.0002166000000000, 0.0000751000000000 ] - [ -0.0001544200000000, -0.0010853200000000, 0.0003259500000000 ] - [ 0.0009001900000000, 0.0005843200000000, 0.0001815300000000 ] - [ 0.0006714300000000, 0.0007676600000000, -0.0000860300000000 ]- atom: 19 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001808800000000, -0.0024703900000000, -0.0019551500000000 ] - [ -0.0007271600000000, -0.0006636600000000, -0.0004840000000000 ] - [ -0.0148372700000000, -0.0033090000000000, 0.0010244000000000 ] - [ 0.0040977000000000, 0.0063952600000000, -0.0018426100000000 ] - [ -0.0001527700000000, -0.0002623900000000, -0.0001099900000000 ] - [ -0.0007994900000000, -0.0007008300000000, -0.0006303200000000 ] - [ -0.0000771800000000, -0.0002226500000000, 0.0012721700000000 ] - [ 0.0014265800000000, -0.0010389500000000, -0.0014488400000000 ] - [ 0.0014823100000000, -0.0007270900000000, -0.0002607900000000 ] - [ 0.0005737600000000, 0.0004889200000000, -0.0007446600000000 ] - [ -0.0017285100000000, 0.0032359300000000, -0.0009129400000000 ] - [ -0.0065296900000000, -0.0038096000000000, -0.0010437600000000 ] - [ -0.0000876200000000, 0.0004165300000000, -0.0006367100000000 ] - [ 0.0010534100000000, -0.0027585800000000, 0.0003777100000000 ] - [ -0.0001442100000000, 0.0003706800000000, -0.0016737400000000 ] - [ -0.0007639100000000, 0.0011436000000000, 0.0003827200000000 ] - [ -0.0002748200000000, -0.0003209000000000, -0.0003974400000000 ] - [ -0.0002857800000000, -0.0003249900000000, -0.0003329400000000 ] - [ 0.0131648800000000, 0.0342044800000000, 0.0088192500000000 ] - [ 0.0003121000000000, -0.0002437900000000, 0.0004358700000000 ] - [ -0.0002706100000000, 0.0002145300000000, -0.0002683800000000 ] - [ -0.0003121100000000, 0.0002714900000000, -0.0003253700000000 ] - [ 0.0008437300000000, 0.0000132000000000, 0.0000312000000000 ] - [ 0.0005978100000000, 0.0001423000000000, -0.0000832800000000 ] - [ -0.0004416500000000, 0.0002576000000000, 0.0000688400000000 ] - [ -0.0004828400000000, 0.0002970600000000, 0.0000748600000000 ] - [ -0.0003886100000000, -0.0015034800000000, 0.0024585800000000 ] - [ 0.0001429700000000, 0.0000393800000000, 0.0003255400000000 ] - [ -0.0004784200000000, -0.0004129300000000, 0.0000440000000000 ] - [ -0.0004298200000000, -0.0003690300000000, 0.0001163700000000 ] - [ 0.0000079400000000, -0.0001930500000000, 0.0004209600000000 ] - [ 0.0002668800000000, 0.0001090100000000, 0.0005532100000000 ] - [ -0.0000306000000000, -0.0000610200000000, 0.0007871900000000 ] - [ 0.0001390800000000, -0.0002134900000000, 0.0005771000000000 ] - [ -0.0027499000000000, -0.0029438800000000, 0.0004747500000000 ] - [ -0.0024939000000000, 0.0008097200000000, -0.0003581300000000 ] - [ 0.0000414500000000, -0.0004374700000000, -0.0001628900000000 ] - [ 0.0004132300000000, 0.0006646500000000, 0.0008643100000000 ] - [ -0.0003737500000000, 0.0000068700000000, -0.0006023200000000 ] - [ -0.0003522200000000, -0.0001449900000000, -0.0002428000000000 ] - [ -0.0012782100000000, -0.0005726800000000, 0.0000967400000000 ] - [ 0.0002686200000000, -0.0000092100000000, -0.0004673300000000 ] - [ 0.0017580700000000, 0.0014141500000000, 0.0002790800000000 ] - [ -0.0002636900000000, -0.0000085600000000, 0.0003877800000000 ] - [ -0.0006652000000000, 0.0005762100000000, -0.0003904500000000 ] - [ 0.0001505400000000, 0.0001417100000000, -0.0003485100000000 ] - [ 0.0003039400000000, 0.0001964700000000, 0.0000508000000000 ] - [ 0.0003802800000000, 0.0005985800000000, 0.0003959800000000 ] - [ 0.0001171700000000, 0.0002277000000000, -0.0000611500000000 ] - [ 0.0001986900000000, 0.0000883900000000, -0.0002036200000000 ] - [ -0.0018444500000000, -0.0187078800000000, -0.0094312100000000 ] - [ 0.0006269500000000, -0.0001668300000000, 0.0009764400000000 ] - [ 0.0001293200000000, 0.0000981900000000, -0.0003069300000000 ] - [ 0.0001645500000000, 0.0003122800000000, -0.0002534600000000 ] - [ -0.0007721000000000, -0.0003892900000000, 0.0003093800000000 ] - [ -0.0006282000000000, -0.0005369900000000, 0.0008815600000000 ] - [ 0.0000043700000000, -0.0003439000000000, 0.0016935700000000 ] - [ 0.0011995300000000, -0.0007827300000000, -0.0015647500000000 ] - [ 0.0003626300000000, 0.0001303200000000, 0.0007066600000000 ] - [ 0.0004706900000000, -0.0002718800000000, 0.0004173300000000 ] - [ 0.0003592300000000, -0.0001113100000000, -0.0004996100000000 ] - [ 0.0004004500000000, 0.0005939800000000, 0.0017261000000000 ] - [ 0.0004377300000000, 0.0003189100000000, 0.0006433400000000 ] - [ 0.0001947000000000, 0.0003050700000000, 0.0003360900000000 ] - [ -0.0002665600000000, -0.0002239500000000, 0.0003067300000000 ] - [ -0.0007949900000000, -0.0005572100000000, 0.0007445200000000 ] - [ 0.0015082400000000, 0.0015764300000000, -0.0013470600000000 ] - [ 0.0012114700000000, -0.0002355000000000, -0.0001298100000000 ] - [ -0.0005158200000000, 0.0005064500000000, 0.0002047900000000 ] - [ -0.0007473600000000, 0.0003092600000000, 0.0008057300000000 ] - [ 0.0002237100000000, 0.0000304000000000, -0.0006406500000000 ] - [ 0.0003437500000000, 0.0001483700000000, -0.0005574900000000 ] - [ -0.0002091700000000, 0.0010400100000000, 0.0003672000000000 ] - [ -0.0001475800000000, 0.0005276900000000, 0.0001275300000000 ] - [ 0.0042577900000000, -0.0119371800000000, -0.0011673000000000 ] - [ 0.0029373000000000, -0.0000470800000000, 0.0010177700000000 ] - [ -0.0002361100000000, -0.0002891800000000, 0.0000631700000000 ] - [ -0.0002403600000000, 0.0005727800000000, -0.0001857700000000 ] - [ 0.0004194500000000, -0.0001435400000000, 0.0000780900000000 ] - [ 0.0006487600000000, -0.0003274800000000, 0.0003467300000000 ]- atom: 19 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ 0.0038317500000000, 0.0001623000000000, -0.0027206000000000 ] - [ -0.0024422400000000, -0.0003891500000000, -0.0009517000000000 ] - [ -0.0039821200000000, -0.0100195600000000, -0.0130215100000000 ] - [ -0.0109212800000000, 0.0186573300000000, -0.0000575900000000 ] - [ 0.0001828500000000, -0.0003032900000000, 0.0006517800000000 ] - [ -0.0018128700000000, -0.0002181800000000, -0.0023280500000000 ] - [ -0.0004605100000000, -0.0003217700000000, 0.0016649900000000 ] - [ 0.0011643800000000, 0.0001467500000000, 0.0014514200000000 ] - [ 0.0016566600000000, -0.0004760400000000, -0.0006875600000000 ] - [ 0.0000117600000000, 0.0007110500000000, -0.0005846400000000 ] - [ -0.0036823700000000, 0.0065127700000000, 0.0015499200000000 ] - [ 0.0009303600000000, -0.0132363800000000, -0.0098914100000000 ] - [ 0.0009107000000000, -0.0048387400000000, 0.0011976100000000 ] - [ 0.0009894300000000, 0.0001932900000000, -0.0008952400000000 ] - [ 0.0003423100000000, 0.0000489200000000, -0.0002606900000000 ] - [ -0.0008139200000000, 0.0010438800000000, 0.0023891300000000 ] - [ -0.0003059100000000, -0.0002850300000000, -0.0000288300000000 ] - [ -0.0002597400000000, -0.0003156200000000, -0.0005879200000000 ] - [ 0.2057295300000000, -0.0030645700000000, -0.0969843500000000 ] - [ -0.0021388700000000, -0.0006791900000000, 0.0018937400000000 ] - [ -0.0001512400000000, 0.0002303300000000, -0.0003758300000000 ] - [ -0.0004358700000000, 0.0002323400000000, -0.0001936200000000 ] - [ 0.0006116200000000, 0.0000623700000000, 0.0002729700000000 ] - [ 0.0007157000000000, 0.0000892400000000, -0.0000890700000000 ] - [ -0.0004337000000000, 0.0002493400000000, 0.0001706900000000 ] - [ -0.0004868400000000, 0.0003170100000000, 0.0000114200000000 ] - [ 0.0012019000000000, -0.0022311100000000, 0.0011591200000000 ] - [ -0.0004103100000000, 0.0004433400000000, 0.0000498500000000 ] - [ -0.0003884700000000, -0.0003304900000000, 0.0001074800000000 ] - [ -0.0004766200000000, -0.0005212900000000, -0.0000143100000000 ] - [ -0.0000365500000000, -0.0001269700000000, 0.0012819900000000 ] - [ 0.0001724500000000, -0.0000462800000000, 0.0001195800000000 ] - [ -0.0004436600000000, -0.0000697200000000, 0.0006230400000000 ] - [ 0.0004413900000000, -0.0003490300000000, 0.0004192600000000 ] - [ 0.0027242700000000, 0.0054359200000000, -0.0032185200000000 ] - [ -0.0013463100000000, -0.0025493400000000, 0.0023500800000000 ] - [ 0.0001867400000000, -0.0012365600000000, -0.0007986900000000 ] - [ -0.0004012000000000, 0.0033041600000000, 0.0031013700000000 ] - [ -0.0004438200000000, 0.0001447200000000, -0.0003682000000000 ] - [ -0.0002606500000000, -0.0002648200000000, -0.0004683400000000 ] - [ -0.0017978200000000, -0.0034966900000000, -0.0012221200000000 ] - [ 0.0005696600000000, 0.0002372000000000, 0.0002334000000000 ] - [ -0.0024205900000000, 0.0045525800000000, 0.0023491000000000 ] - [ 0.0010739800000000, -0.0009908300000000, 0.0001579400000000 ] - [ -0.0007085900000000, 0.0003023100000000, -0.0007919100000000 ] - [ 0.0006749000000000, -0.0000599000000000, 0.0003034100000000 ] - [ 0.0006708700000000, 0.0005622600000000, -0.0002018500000000 ] - [ 0.0000175900000000, -0.0000578100000000, 0.0005446000000000 ] - [ -0.0000138900000000, -0.0003168300000000, -0.0004522600000000 ] - [ 0.0002186000000000, 0.0001455000000000, 0.0000938100000000 ] - [ -0.2238349000000000, 0.0015071100000000, 0.1066902800000000 ] - [ 0.0052835600000000, -0.0004351800000000, 0.0015095700000000 ] - [ -0.0001889500000000, 0.0002283700000000, -0.0002489400000000 ] - [ 0.0005374000000000, 0.0002350400000000, -0.0002547500000000 ] - [ -0.0009610600000000, -0.0001254500000000, -0.0003999700000000 ] - [ -0.0005588100000000, -0.0005674100000000, 0.0009370800000000 ] - [ -0.0026010600000000, 0.0006305900000000, 0.0048174400000000 ] - [ 0.0033711200000000, -0.0016378400000000, -0.0041495200000000 ] - [ -0.0002088000000000, -0.0002858200000000, 0.0004539200000000 ] - [ 0.0009800300000000, 0.0002531500000000, 0.0012243800000000 ] - [ 0.0010531800000000, -0.0000314200000000, -0.0015179800000000 ] - [ -0.0029324200000000, -0.0011332100000000, 0.0017981500000000 ] - [ 0.0002966100000000, 0.0002809300000000, 0.0002693800000000 ] - [ 0.0004671900000000, 0.0002753400000000, 0.0007995700000000 ] - [ 0.0000126400000000, -0.0000144400000000, -0.0002027700000000 ] - [ -0.0010359500000000, -0.0006562100000000, 0.0010020500000000 ] - [ -0.0009750400000000, 0.0015001500000000, -0.0003942800000000 ] - [ 0.0020901300000000, -0.0011841900000000, -0.0000400900000000 ] - [ -0.0009300600000000, 0.0001675900000000, 0.0003911400000000 ] - [ -0.0001026500000000, 0.0011154000000000, 0.0000987000000000 ] - [ -0.0003234700000000, 0.0000735700000000, -0.0016216100000000 ] - [ 0.0006650500000000, 0.0002230000000000, -0.0001177400000000 ] - [ -0.0005011300000000, 0.0012321600000000, 0.0005952500000000 ] - [ 0.0000865100000000, 0.0003650100000000, 0.0000348500000000 ] - [ 0.0222685800000000, 0.0041600000000000, -0.0007555300000000 ] - [ 0.0097024400000000, -0.0036159600000000, 0.0023140100000000 ] - [ -0.0001329700000000, 0.0005225100000000, -0.0005490500000000 ] - [ -0.0002958200000000, 0.0000391500000000, 0.0005485400000000 ] - [ 0.0006717500000000, 0.0001889400000000, -0.0006820600000000 ] - [ 0.0005434400000000, -0.0003006000000000, 0.0004970600000000 ]- atom: 19 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ -0.0048944400000000, -0.0005171200000000, 0.0017311000000000 ] - [ 0.0012589700000000, 0.0000275800000000, -0.0000097900000000 ] - [ 0.0038556900000000, 0.0110969000000000, 0.0138499700000000 ] - [ 0.0110767800000000, -0.0168239400000000, 0.0012957500000000 ] - [ -0.0013049200000000, 0.0006462900000000, -0.0015817000000000 ] - [ 0.0006386700000000, 0.0005581700000000, 0.0013334500000000 ] - [ 0.0007876100000000, -0.0011174200000000, -0.0003960400000000 ] - [ -0.0007927200000000, -0.0016066100000000, -0.0002259400000000 ] - [ 0.0000279600000000, 0.0019448200000000, -0.0004987000000000 ] - [ 0.0016428300000000, 0.0007705300000000, -0.0005958200000000 ] - [ 0.0023055800000000, -0.0067861200000000, -0.0023971200000000 ] - [ -0.0021391100000000, 0.0125472000000000, 0.0088874400000000 ] - [ 0.0007626600000000, 0.0032807000000000, -0.0023393500000000 ] - [ 0.0006791200000000, -0.0016579200000000, -0.0002885200000000 ] - [ -0.0015865700000000, 0.0003758000000000, -0.0006115000000000 ] - [ -0.0004590800000000, -0.0005850500000000, -0.0032124500000000 ] - [ -0.0002643800000000, -0.0003020900000000, -0.0006460900000000 ] - [ -0.0003101200000000, -0.0002720100000000, -0.0000973200000000 ] - [ -0.2201720300000000, 0.0022398800000000, 0.0999904500000000 ] - [ 0.0037371900000000, 0.0006217900000000, -0.0019106700000000 ] - [ -0.0004162400000000, 0.0003557300000000, -0.0003041400000000 ] - [ -0.0001374700000000, 0.0003532700000000, -0.0004838500000000 ] - [ 0.0010386600000000, -0.0000134800000000, -0.0003163700000000 ] - [ 0.0009267000000000, -0.0000385200000000, 0.0000379200000000 ] - [ -0.0004345400000000, 0.0004573600000000, -0.0000329500000000 ] - [ -0.0003831300000000, 0.0003913100000000, 0.0001234000000000 ] - [ -0.0008554000000000, 0.0023752700000000, -0.0003859800000000 ] - [ 0.0007145300000000, -0.0002699800000000, 0.0007241900000000 ] - [ -0.0004781200000000, -0.0003780800000000, 0.0000287200000000 ] - [ -0.0003926900000000, -0.0001906300000000, 0.0001479900000000 ] - [ 0.0003471400000000, -0.0000558800000000, -0.0004734900000000 ] - [ 0.0001373400000000, -0.0001241500000000, 0.0006522900000000 ] - [ 0.0006152700000000, -0.0001065800000000, 0.0002671700000000 ] - [ -0.0002523700000000, 0.0001633500000000, 0.0004689600000000 ] - [ -0.0034065300000000, -0.0049597400000000, 0.0025210800000000 ] - [ 0.0005850000000000, 0.0028562300000000, -0.0029753700000000 ] - [ -0.0000034800000000, 0.0013879000000000, 0.0016573500000000 ] - [ 0.0005746200000000, -0.0030547900000000, -0.0021615000000000 ] - [ -0.0003098200000000, -0.0005067900000000, -0.0002921300000000 ] - [ -0.0004893800000000, -0.0001008300000000, -0.0001958700000000 ] - [ 0.0013890800000000, 0.0030179500000000, 0.0003345300000000 ] - [ -0.0009200800000000, -0.0006402700000000, -0.0010928200000000 ] - [ 0.0029170800000000, -0.0047720300000000, -0.0020049500000000 ] - [ -0.0005212300000000, 0.0006737400000000, 0.0001589400000000 ] - [ 0.0003200400000000, 0.0001235600000000, -0.0000899000000000 ] - [ -0.0010266500000000, 0.0004731100000000, -0.0011614300000000 ] - [ -0.0001323500000000, -0.0002590400000000, 0.0005147500000000 ] - [ 0.0005121500000000, 0.0003553800000000, -0.0002151200000000 ] - [ 0.0002873500000000, 0.0002620000000000, 0.0000322600000000 ] - [ 0.0000605800000000, -0.0001913800000000, -0.0005031100000000 ] - [ 0.2383014200000000, -0.0001810500000000, -0.1084212400000000 ] - [ -0.0065512100000000, 0.0010333900000000, -0.0004746300000000 ] - [ 0.0004593400000000, -0.0001749200000000, -0.0001682200000000 ] - [ -0.0002519500000000, -0.0001809300000000, -0.0001608800000000 ] - [ -0.0004279700000000, -0.0004900900000000, 0.0014032900000000 ] - [ -0.0008176100000000, -0.0000561900000000, 0.0000933700000000 ] - [ 0.0027067300000000, -0.0007367300000000, -0.0050034200000000 ] - [ -0.0031875800000000, 0.0014830400000000, 0.0037907600000000 ] - [ 0.0010361000000000, -0.0001181000000000, 0.0007970300000000 ] - [ -0.0001284200000000, -0.0006441300000000, 0.0000448600000000 ] - [ -0.0008924600000000, 0.0001465900000000, 0.0011914200000000 ] - [ 0.0030409700000000, 0.0012678900000000, -0.0020511000000000 ] - [ 0.0005405800000000, 0.0001234800000000, 0.0009806700000000 ] - [ 0.0003765100000000, 0.0001282700000000, 0.0004646000000000 ] - [ -0.0011811400000000, -0.0009319700000000, 0.0012060100000000 ] - [ -0.0001521000000000, -0.0003070400000000, 0.0000279100000000 ] - [ 0.0016008400000000, -0.0018227500000000, -0.0006947900000000 ] - [ -0.0013788000000000, 0.0008319200000000, -0.0010346800000000 ] - [ -0.0002550200000000, 0.0007832400000000, 0.0006272300000000 ] - [ -0.0010675600000000, -0.0001477900000000, 0.0009127700000000 ] - [ 0.0009765800000000, 0.0002663300000000, 0.0005106700000000 ] - [ 0.0000134700000000, 0.0001217400000000, -0.0009577200000000 ] - [ 0.0001013200000000, -0.0007058300000000, -0.0004470900000000 ] - [ -0.0004749800000000, 0.0001469500000000, 0.0001047900000000 ] - [ -0.0202471300000000, -0.0044351400000000, 0.0010418700000000 ] - [ -0.0083120000000000, 0.0031449200000000, -0.0020253100000000 ] - [ -0.0002604200000000, -0.0010190600000000, 0.0006775000000000 ] - [ -0.0000988700000000, -0.0005426000000000, -0.0003994700000000 ] - [ 0.0006384000000000, 0.0002558000000000, 0.0009363300000000 ] - [ 0.0007771900000000, 0.0007354000000000, -0.0002302600000000 ]- atom: 25 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ 0.0011324600000000, -0.0037640400000000, -0.0007531400000000 ] - [ 0.0019147600000000, 0.0044852600000000, -0.0006679000000000 ] - [ 0.0009261700000000, 0.0008204900000000, 0.0005833500000000 ] - [ -0.0013174700000000, 0.0011752200000000, 0.0003711300000000 ] - [ -0.0008684300000000, -0.0000385100000000, -0.0009703100000000 ] - [ -0.0019177200000000, -0.0009178800000000, 0.0002820500000000 ] - [ -0.0004747300000000, -0.0005162200000000, 0.0011373300000000 ] - [ 0.0005569300000000, 0.0002016500000000, 0.0010101300000000 ] - [ 0.0055318500000000, 0.0026479700000000, 0.0023450100000000 ] - [ 0.0147990500000000, -0.0147065400000000, -0.0156370100000000 ] - [ -0.0002320400000000, -0.0000285200000000, -0.0005517600000000 ] - [ -0.0035749400000000, 0.0004795400000000, 0.0014660600000000 ] - [ 0.0010429900000000, -0.0004299900000000, 0.0002550900000000 ] - [ -0.0003061000000000, -0.0013775600000000, -0.0015435900000000 ] - [ -0.0007465300000000, -0.0001250100000000, -0.0002026600000000 ] - [ -0.0004684000000000, 0.0012576600000000, -0.0008497200000000 ] - [ -0.0009200700000000, 0.0003719100000000, 0.0003128600000000 ] - [ -0.0004633700000000, -0.0001443700000000, -0.0008617000000000 ] - [ 0.0007887100000000, -0.0000174400000000, -0.0000435200000000 ] - [ 0.0009225700000000, 0.0000245800000000, -0.0000269800000000 ] - [ 0.0000841000000000, 0.0002306200000000, -0.0007514800000000 ] - [ 0.0006802600000000, 0.0011789600000000, 0.0022709000000000 ] - [ 0.0007149000000000, -0.0000204700000000, -0.0000349400000000 ] - [ 0.0009044200000000, 0.0000298200000000, -0.0000282900000000 ] - [ -0.0694062300000000, 0.0986932700000000, 0.0622100800000000 ] - [ -0.0001992700000000, 0.0002464300000000, 0.0000617900000000 ] - [ -0.0000212000000000, 0.0000187600000000, 0.0005460700000000 ] - [ 0.0000690600000000, 0.0001529700000000, 0.0003472600000000 ] - [ -0.0003633100000000, -0.0003733800000000, -0.0000707500000000 ] - [ -0.0004016900000000, -0.0003645200000000, 0.0002457800000000 ] - [ 0.0001761900000000, -0.0000366500000000, 0.0003654100000000 ] - [ 0.0001640000000000, -0.0000853200000000, 0.0004168800000000 ] - [ -0.0002678100000000, 0.0006424100000000, 0.0000902300000000 ] - [ 0.0000987300000000, -0.0016457400000000, 0.0015489800000000 ] - [ -0.0005490500000000, 0.0000119900000000, -0.0002274500000000 ] - [ -0.0000322500000000, 0.0004790700000000, -0.0004205400000000 ] - [ -0.0000726400000000, 0.0001172800000000, 0.0003960200000000 ] - [ 0.0019838300000000, -0.0004616000000000, 0.0014881200000000 ] - [ -0.0003966600000000, -0.0011851900000000, -0.0011695700000000 ] - [ 0.0009123600000000, -0.0002822300000000, -0.0017892900000000 ] - [ 0.0003489900000000, 0.0005381800000000, -0.0002888000000000 ] - [ -0.0005236600000000, -0.0005195400000000, -0.0004828400000000 ] - [ -0.0002953000000000, 0.0003375300000000, 0.0003108800000000 ] - [ 0.0013970000000000, -0.0017451800000000, -0.0002463800000000 ] - [ -0.0001958700000000, 0.0001686200000000, -0.0004071100000000 ] - [ 0.0000733900000000, 0.0001289100000000, -0.0005634000000000 ] - [ 0.0006871800000000, 0.0001857300000000, 0.0000756400000000 ] - [ 0.0000259200000000, -0.0002955200000000, 0.0003391700000000 ] - [ 0.0001547800000000, 0.0007884800000000, -0.0013073300000000 ] - [ -0.0013066300000000, 0.0002124600000000, 0.0015733900000000 ] - [ -0.0007444300000000, 0.0003098500000000, 0.0005595000000000 ] - [ -0.0006431400000000, 0.0001334900000000, 0.0004548600000000 ] - [ -0.0001605300000000, 0.0000398900000000, 0.0002569400000000 ] - [ 0.0007941200000000, 0.0001358600000000, -0.0016423900000000 ] - [ -0.0003900400000000, -0.0003091000000000, 0.0005754300000000 ] - [ -0.0008070600000000, -0.0004064600000000, 0.0004622200000000 ] - [ -0.0000548600000000, -0.0000138400000000, -0.0000575300000000 ] - [ 0.0002310600000000, -0.0001976200000000, -0.0002087100000000 ] - [ 0.0008509000000000, 0.0012854500000000, 0.0019756400000000 ] - [ -0.0011770100000000, -0.0007873600000000, -0.0013083500000000 ] - [ 0.0000944600000000, 0.0000258700000000, -0.0002060300000000 ] - [ 0.0004975300000000, -0.0002005300000000, -0.0006503600000000 ] - [ 0.0006193600000000, 0.0001781700000000, 0.0017334600000000 ] - [ -0.0005190600000000, 0.0001524500000000, -0.0008444800000000 ] - [ 0.0524007900000000, -0.0830261900000000, -0.0529016500000000 ] - [ -0.0014390800000000, -0.0006576900000000, 0.0007700000000000 ] - [ 0.0009911100000000, -0.0007355300000000, -0.0007371900000000 ] - [ 0.0006416100000000, -0.0001040400000000, -0.0003196100000000 ] - [ -0.0008212100000000, 0.0006721700000000, 0.0008552400000000 ] - [ -0.0003814400000000, 0.0004031800000000, 0.0002312900000000 ] - [ 0.0003105600000000, -0.0000902600000000, -0.0005455500000000 ] - [ 0.0002924800000000, 0.0002497400000000, -0.0005628200000000 ] - [ -0.0009536400000000, 0.0008085800000000, 0.0002321300000000 ] - [ -0.0028686700000000, -0.0035878400000000, 0.0014377700000000 ] - [ 0.0008410500000000, -0.0002607600000000, 0.0002055000000000 ] - [ 0.0005622700000000, -0.0003997500000000, 0.0000916100000000 ] - [ -0.0001227800000000, -0.0001334400000000, -0.0003510800000000 ] - [ -0.0001913700000000, 0.0000271300000000, 0.0001472200000000 ] - [ 0.0007399400000000, -0.0001256100000000, 0.0001746900000000 ] - [ 0.0006378100000000, 0.0000698500000000, 0.0000190900000000 ]- atom: 25 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ -0.0022886200000000, 0.0033963300000000, -0.0001975500000000 ] - [ -0.0030695100000000, -0.0048755100000000, -0.0002915100000000 ] - [ -0.0005822700000000, 0.0006248200000000, 0.0006616500000000 ] - [ 0.0016675600000000, 0.0002639400000000, 0.0008766000000000 ] - [ -0.0002889900000000, 0.0003956400000000, 0.0000064100000000 ] - [ 0.0007886400000000, 0.0012740200000000, -0.0012086000000000 ] - [ 0.0008138500000000, -0.0009304300000000, 0.0001178500000000 ] - [ -0.0002062000000000, -0.0016422600000000, 0.0002291000000000 ] - [ -0.0038217600000000, -0.0011562800000000, -0.0034958600000000 ] - [ -0.0132636100000000, 0.0163746300000000, 0.0148320400000000 ] - [ -0.0010361600000000, -0.0003981600000000, -0.0003109100000000 ] - [ 0.0022564800000000, -0.0009545800000000, -0.0023035100000000 ] - [ 0.0006257900000000, -0.0010568300000000, -0.0014415000000000 ] - [ 0.0019759000000000, -0.0001014000000000, 0.0003663300000000 ] - [ -0.0005242500000000, 0.0005536000000000, -0.0006563300000000 ] - [ -0.0008021200000000, -0.0008460500000000, -0.0000029800000000 ] - [ 0.0003478600000000, -0.0009538300000000, -0.0009877100000000 ] - [ -0.0001064200000000, -0.0004428600000000, 0.0001868600000000 ] - [ 0.0008576800000000, -0.0000312700000000, -0.0000048900000000 ] - [ 0.0007259700000000, -0.0000733000000000, -0.0000215400000000 ] - [ -0.0006523200000000, 0.0003560500000000, 0.0000673300000000 ] - [ -0.0012373200000000, -0.0005968700000000, -0.0029731300000000 ] - [ 0.0009297300000000, 0.0000687700000000, -0.0000130000000000 ] - [ 0.0007476100000000, 0.0000205000000000, -0.0000221400000000 ] - [ 0.0665176100000000, -0.0977290200000000, -0.0622599600000000 ] - [ -0.0006699800000000, 0.0004624000000000, 0.0000723800000000 ] - [ 0.0003336200000000, 0.0001553700000000, 0.0002318100000000 ] - [ 0.0002487600000000, 0.0000174400000000, 0.0004337400000000 ] - [ -0.0005049400000000, -0.0003352000000000, 0.0002065100000000 ] - [ -0.0004670100000000, -0.0003446500000000, -0.0001101200000000 ] - [ 0.0001345800000000, -0.0001373800000000, 0.0004115200000000 ] - [ 0.0001482600000000, -0.0000881700000000, 0.0003608800000000 ] - [ 0.0004530500000000, -0.0008214500000000, 0.0007953200000000 ] - [ 0.0000834900000000, 0.0014803600000000, -0.0006717900000000 ] - [ -0.0002027700000000, 0.0003558100000000, -0.0004362000000000 ] - [ -0.0007203600000000, -0.0001108100000000, -0.0002432300000000 ] - [ 0.0002574700000000, 0.0000607300000000, 0.0004910700000000 ] - [ -0.0017799100000000, 0.0006497400000000, -0.0006166200000000 ] - [ -0.0003553400000000, 0.0008083400000000, 0.0004957800000000 ] - [ -0.0017131700000000, -0.0000569900000000, 0.0011837600000000 ] - [ -0.0007224600000000, -0.0009568800000000, -0.0005860200000000 ] - [ 0.0001520500000000, 0.0001043300000000, -0.0003911700000000 ] - [ 0.0008288200000000, -0.0006322800000000, 0.0000089400000000 ] - [ -0.0008683200000000, 0.0014560000000000, 0.0005678300000000 ] - [ -0.0001701200000000, 0.0002459800000000, -0.0004603600000000 ] - [ -0.0004493100000000, 0.0002908100000000, -0.0003141600000000 ] - [ -0.0001488700000000, 0.0001111200000000, 0.0002387700000000 ] - [ 0.0005000500000000, 0.0005811700000000, -0.0000274300000000 ] - [ 0.0001399700000000, -0.0008486300000000, 0.0008788000000000 ] - [ 0.0015882400000000, -0.0002519000000000, -0.0019912600000000 ] - [ -0.0006345200000000, 0.0003101800000000, 0.0004610300000000 ] - [ -0.0007381700000000, 0.0004887100000000, 0.0005657300000000 ] - [ 0.0004370400000000, 0.0000078300000000, -0.0006672800000000 ] - [ -0.0005241800000000, -0.0000876300000000, 0.0012256400000000 ] - [ -0.0009863000000000, -0.0003111000000000, 0.0004443400000000 ] - [ -0.0005839700000000, -0.0002074200000000, 0.0005589100000000 ] - [ 0.0001881900000000, -0.0001087200000000, -0.0002378200000000 ] - [ -0.0000982300000000, 0.0000769600000000, -0.0000863200000000 ] - [ 0.0000006700000000, -0.0016854600000000, -0.0007118200000000 ] - [ 0.0020211100000000, 0.0003884400000000, 0.0025720100000000 ] - [ 0.0000384100000000, 0.0000972600000000, -0.0000889300000000 ] - [ -0.0003512300000000, 0.0003254100000000, 0.0003394700000000 ] - [ 0.0002048100000000, 0.0002126400000000, -0.0004553200000000 ] - [ 0.0013494400000000, 0.0002466400000000, 0.0020864100000000 ] - [ -0.0513687600000000, 0.0816631300000000, 0.0536773800000000 ] - [ 0.0002568800000000, -0.0003023500000000, 0.0002520700000000 ] - [ -0.0003235200000000, 0.0003865800000000, -0.0003426700000000 ] - [ 0.0000162000000000, -0.0002365100000000, -0.0007788400000000 ] - [ -0.0003577200000000, 0.0002858000000000, 0.0001632400000000 ] - [ -0.0007981800000000, 0.0005550000000000, 0.0007883800000000 ] - [ 0.0003595000000000, 0.0004351900000000, -0.0005436700000000 ] - [ 0.0003758800000000, 0.0000918000000000, -0.0005264500000000 ] - [ 0.0005584400000000, -0.0002874500000000, -0.0000920400000000 ] - [ 0.0024563100000000, 0.0040984200000000, -0.0013110800000000 ] - [ 0.0004816900000000, -0.0001781500000000, 0.0000566600000000 ] - [ 0.0007574700000000, -0.0000434700000000, 0.0001674200000000 ] - [ -0.0002706000000000, -0.0003771000000000, 0.0004905100000000 ] - [ -0.0002044600000000, -0.0005394600000000, -0.0000126500000000 ] - [ 0.0005860100000000, 0.0005862900000000, 0.0000850600000000 ] - [ 0.0006809100000000, 0.0003736400000000, 0.0002388300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0042071600000000, 0.0022700600000000, -0.0005016700000000 ] - [ 0.0025616700000000, 0.0052899900000000, -0.0012190100000000 ] - [ 0.0000038400000000, 0.0018697000000000, 0.0007200300000000 ] - [ 0.0001514600000000, 0.0027334000000000, 0.0008273900000000 ] - [ 0.0004300400000000, -0.0007277300000000, 0.0007896300000000 ] - [ -0.0021781600000000, -0.0025092700000000, -0.0013813400000000 ] - [ 0.0002539800000000, 0.0000803500000000, 0.0003279600000000 ] - [ 0.0005437800000000, 0.0002510000000000, 0.0009922200000000 ] - [ 0.0016238900000000, -0.0020450800000000, -0.0003658600000000 ] - [ -0.0017491600000000, -0.0094353600000000, -0.0000890500000000 ] - [ -0.0009295000000000, 0.0001774700000000, -0.0005714500000000 ] - [ 0.0001481600000000, 0.0070808200000000, -0.0024997600000000 ] - [ 0.0009275000000000, -0.0008325400000000, -0.0000191700000000 ] - [ 0.0014585300000000, -0.0001985300000000, 0.0020339600000000 ] - [ -0.0006240300000000, 0.0015126400000000, -0.0008046100000000 ] - [ -0.0005731000000000, 0.0017836700000000, -0.0008681800000000 ] - [ 0.0004240600000000, -0.0010325600000000, -0.0011098200000000 ] - [ -0.0006236900000000, -0.0002475900000000, -0.0006071700000000 ] - [ 0.0009449000000000, 0.0000715700000000, -0.0000730300000000 ] - [ 0.0008773000000000, 0.0000323200000000, -0.0000357600000000 ] - [ -0.0003661800000000, 0.0001582400000000, -0.0000897100000000 ] - [ 0.0002264900000000, -0.0008532600000000, 0.0012480800000000 ] - [ 0.0008539000000000, 0.0000815200000000, -0.0000353200000000 ] - [ 0.0006278100000000, 0.0000382200000000, 0.0000510400000000 ] - [ 0.1022911600000000, -0.3148235100000000, -0.1572290800000000 ] - [ -0.0005428500000000, 0.0001098200000000, 0.0000257500000000 ] - [ 0.0001173900000000, 0.0001933100000000, 0.0005820200000000 ] - [ 0.0001489800000000, 0.0002082500000000, 0.0003195500000000 ] - [ -0.0004154900000000, -0.0005430800000000, 0.0000721200000000 ] - [ -0.0004239300000000, -0.0004286700000000, -0.0000207600000000 ] - [ 0.0001936300000000, 0.0000348600000000, 0.0004194900000000 ] - [ 0.0001770600000000, 0.0000287700000000, 0.0004357500000000 ] - [ 0.0005153800000000, -0.0009256200000000, 0.0008296600000000 ] - [ -0.0001532400000000, -0.0009107100000000, 0.0009468900000000 ] - [ -0.0003995200000000, -0.0001024300000000, -0.0003190700000000 ] - [ -0.0005313800000000, -0.0004233300000000, -0.0003478300000000 ] - [ 0.0001178000000000, 0.0003579800000000, 0.0004700400000000 ] - [ -0.0000045600000000, 0.0005382900000000, 0.0036235000000000 ] - [ -0.0003599100000000, -0.0000717000000000, -0.0002025600000000 ] - [ 0.0010483700000000, -0.0012756500000000, -0.0016488000000000 ] - [ -0.0004488500000000, -0.0012391000000000, -0.0004709800000000 ] - [ -0.0003214100000000, -0.0004900900000000, -0.0003773000000000 ] - [ 0.0006760500000000, -0.0005834300000000, 0.0001288100000000 ] - [ 0.0002144500000000, -0.0007161300000000, 0.0000668800000000 ] - [ -0.0004579200000000, 0.0003108500000000, -0.0005999500000000 ] - [ 0.0002728200000000, -0.0000066800000000, -0.0001499800000000 ] - [ 0.0001142200000000, 0.0001173200000000, 0.0000178300000000 ] - [ 0.0007108100000000, 0.0000437000000000, 0.0000792600000000 ] - [ 0.0010826200000000, -0.0001116300000000, 0.0009895200000000 ] - [ -0.0005717400000000, 0.0008589100000000, 0.0014793800000000 ] - [ -0.0007849500000000, 0.0000014600000000, 0.0004742700000000 ] - [ -0.0006955100000000, -0.0001280200000000, 0.0004565300000000 ] - [ 0.0001298100000000, 0.0003633300000000, -0.0006403000000000 ] - [ 0.0003914800000000, 0.0009289400000000, -0.0011890400000000 ] - [ -0.0007494300000000, -0.0005223200000000, 0.0005250400000000 ] - [ -0.0003331100000000, -0.0007535400000000, 0.0005172500000000 ] - [ 0.0001376900000000, -0.0003464400000000, -0.0002456400000000 ] - [ 0.0000467100000000, -0.0003806200000000, -0.0001653800000000 ] - [ 0.0011038000000000, -0.0018655700000000, -0.0008020200000000 ] - [ -0.0003922100000000, -0.0006227900000000, -0.0004311800000000 ] - [ 0.0000748600000000, -0.0000877300000000, -0.0000865500000000 ] - [ -0.0002504200000000, -0.0002587600000000, 0.0002506200000000 ] - [ -0.0002316400000000, 0.0013893400000000, -0.0016284000000000 ] - [ 0.0002370300000000, 0.0005011000000000, 0.0002523800000000 ] - [ -0.1018450600000000, 0.3169768600000000, 0.1556270200000000 ] - [ -0.0003048700000000, -0.0002190800000000, 0.0005628500000000 ] - [ 0.0001105900000000, -0.0006330600000000, -0.0008962000000000 ] - [ 0.0010394200000000, -0.0004668200000000, -0.0002810900000000 ] - [ -0.0004072100000000, 0.0004044500000000, 0.0001154100000000 ] - [ -0.0006145000000000, 0.0005065400000000, 0.0004934400000000 ] - [ 0.0002065400000000, -0.0001799000000000, -0.0005992000000000 ] - [ 0.0002464800000000, -0.0001466900000000, -0.0006452400000000 ] - [ 0.0004598500000000, 0.0014453800000000, 0.0002391200000000 ] - [ -0.0032821400000000, 0.0003682600000000, 0.0017525700000000 ] - [ 0.0006592600000000, -0.0014654300000000, -0.0001377100000000 ] - [ 0.0007744700000000, -0.0007872900000000, 0.0000501100000000 ] - [ -0.0005560700000000, 0.0006217700000000, 0.0001865400000000 ] - [ -0.0002021500000000, 0.0008572600000000, -0.0000840800000000 ] - [ 0.0004639200000000, -0.0008331500000000, 0.0002061100000000 ] - [ 0.0007110800000000, -0.0003668100000000, 0.0002832200000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0031206500000000, -0.0026433500000000, -0.0004523200000000 ] - [ -0.0037810100000000, -0.0058301200000000, 0.0002757800000000 ] - [ 0.0003386200000000, -0.0004415600000000, 0.0005228700000000 ] - [ 0.0001978000000000, -0.0013223500000000, 0.0004152300000000 ] - [ -0.0015778600000000, 0.0011058400000000, -0.0017596900000000 ] - [ 0.0010385200000000, 0.0028882700000000, 0.0004452600000000 ] - [ 0.0000849700000000, -0.0015447900000000, 0.0009147800000000 ] - [ -0.0002068900000000, -0.0017033000000000, 0.0002651500000000 ] - [ -0.0000036400000000, 0.0035555100000000, -0.0008245500000000 ] - [ 0.0038493300000000, 0.0110618200000000, -0.0012929500000000 ] - [ -0.0003370400000000, -0.0006144200000000, -0.0002865700000000 ] - [ -0.0014583500000000, -0.0075154400000000, 0.0016751900000000 ] - [ 0.0007405600000000, -0.0006534300000000, -0.0011761300000000 ] - [ 0.0002016500000000, -0.0012907500000000, -0.0032513700000000 ] - [ -0.0006478100000000, -0.0011056900000000, -0.0000477700000000 ] - [ -0.0006982300000000, -0.0013890600000000, 0.0000186800000000 ] - [ -0.0010108100000000, 0.0004580300000000, 0.0004448800000000 ] - [ 0.0000626700000000, -0.0003388100000000, -0.0000605200000000 ] - [ 0.0007007700000000, -0.0001220800000000, 0.0000248200000000 ] - [ 0.0007701300000000, -0.0000822300000000, -0.0000125800000000 ] - [ -0.0002052600000000, 0.0004312800000000, -0.0005916200000000 ] - [ -0.0007827600000000, 0.0014669600000000, -0.0019538700000000 ] - [ 0.0007949900000000, -0.0000351600000000, -0.0000148300000000 ] - [ 0.0010229000000000, 0.0000100600000000, -0.0001005300000000 ] - [ -0.0956963500000000, 0.2979376700000000, 0.1454638100000000 ] - [ -0.0003272000000000, 0.0006036300000000, 0.0001084100000000 ] - [ 0.0001902600000000, -0.0000243800000000, 0.0001973200000000 ] - [ 0.0001683200000000, -0.0000391400000000, 0.0004592600000000 ] - [ -0.0004535300000000, -0.0001634500000000, 0.0000645000000000 ] - [ -0.0004444500000000, -0.0002790000000000, 0.0001573400000000 ] - [ 0.0001175800000000, -0.0002104500000000, 0.0003576000000000 ] - [ 0.0001344200000000, -0.0002043200000000, 0.0003413000000000 ] - [ -0.0003371000000000, 0.0007575300000000, 0.0000518500000000 ] - [ 0.0003388800000000, 0.0007525200000000, -0.0000723500000000 ] - [ -0.0003513700000000, 0.0004751800000000, -0.0003452300000000 ] - [ -0.0002188300000000, 0.0007994900000000, -0.0003160700000000 ] - [ 0.0000651500000000, -0.0001839700000000, 0.0004168800000000 ] - [ 0.0001800200000000, -0.0003474800000000, -0.0027317700000000 ] - [ -0.0003902000000000, -0.0002923900000000, -0.0004596700000000 ] - [ -0.0018188600000000, 0.0008913700000000, 0.0009930300000000 ] - [ 0.0000772800000000, 0.0008331500000000, -0.0004041500000000 ] - [ -0.0000456100000000, 0.0000818700000000, -0.0004969800000000 ] - [ -0.0001464700000000, 0.0002911000000000, 0.0001901900000000 ] - [ 0.0003193100000000, 0.0004316200000000, 0.0002553700000000 ] - [ 0.0000899300000000, 0.0001035300000000, -0.0002708500000000 ] - [ -0.0006512600000000, 0.0004272500000000, -0.0007295000000000 ] - [ 0.0004198400000000, 0.0001773400000000, 0.0003081700000000 ] - [ -0.0001822800000000, 0.0002432500000000, 0.0002367200000000 ] - [ -0.0008181300000000, 0.0000591700000000, -0.0014360100000000 ] - [ 0.0008709300000000, -0.0009027800000000, -0.0019351900000000 ] - [ -0.0005930800000000, 0.0006229500000000, 0.0005464700000000 ] - [ -0.0006854400000000, 0.0007559500000000, 0.0005653100000000 ] - [ 0.0001487800000000, -0.0003199800000000, 0.0002273700000000 ] - [ -0.0001224100000000, -0.0008936200000000, 0.0007896500000000 ] - [ -0.0006281000000000, -0.0000913900000000, 0.0004979300000000 ] - [ -0.0010527200000000, 0.0001418900000000, 0.0005008600000000 ] - [ -0.0000043100000000, 0.0002280900000000, -0.0000489100000000 ] - [ 0.0000851800000000, 0.0002649500000000, -0.0001278400000000 ] - [ -0.0002785500000000, 0.0014855200000000, 0.0020819000000000 ] - [ 0.0012512000000000, 0.0002337700000000, 0.0017161900000000 ] - [ 0.0000577400000000, 0.0002134400000000, -0.0002071900000000 ] - [ 0.0004048600000000, 0.0003883800000000, -0.0005734000000000 ] - [ 0.0010673800000000, -0.0009925900000000, 0.0028870300000000 ] - [ 0.0006117700000000, -0.0001040900000000, 0.0010151300000000 ] - [ 0.0926551900000000, -0.3005097600000000, -0.1424381700000000 ] - [ -0.0008683100000000, -0.0007431600000000, 0.0004545600000000 ] - [ 0.0005692800000000, 0.0002912500000000, -0.0001963400000000 ] - [ -0.0003870300000000, 0.0001266800000000, -0.0008149400000000 ] - [ -0.0007733500000000, 0.0005546200000000, 0.0009083000000000 ] - [ -0.0005662400000000, 0.0004515000000000, 0.0005274900000000 ] - [ 0.0004643100000000, 0.0005287900000000, -0.0004887300000000 ] - [ 0.0004241300000000, 0.0004932300000000, -0.0004426000000000 ] - [ -0.0008583200000000, -0.0009603000000000, -0.0001020200000000 ] - [ 0.0031219800000000, 0.0002887200000000, -0.0016682300000000 ] - [ 0.0006604300000000, 0.0010382300000000, 0.0004027500000000 ] - [ 0.0005441900000000, 0.0003533500000000, 0.0002109600000000 ] - [ 0.0001653500000000, -0.0011468700000000, -0.0000490100000000 ] - [ -0.0001884300000000, -0.0013837900000000, 0.0002221700000000 ] - [ 0.0008606900000000, 0.0012977300000000, 0.0000481800000000 ] - [ 0.0006096600000000, 0.0008229800000000, -0.0000262200000000 ]- atom: 25 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ -0.0008683100000000, 0.0003531000000000, -0.0032983500000000 ] - [ -0.0015684200000000, -0.0021887200000000, -0.0000828500000000 ] - [ -0.0003085900000000, 0.0006789100000000, 0.0006097200000000 ] - [ 0.0011629100000000, 0.0002289100000000, 0.0003574500000000 ] - [ -0.0002110600000000, 0.0009838300000000, 0.0010950100000000 ] - [ 0.0015877200000000, 0.0012238000000000, 0.0050165000000000 ] - [ 0.0011082000000000, -0.0010252700000000, 0.0010939100000000 ] - [ -0.0006734500000000, -0.0018757000000000, -0.0001141500000000 ] - [ 0.0013807900000000, 0.0008695700000000, -0.0014991400000000 ] - [ -0.0149965200000000, 0.0146282400000000, 0.0122454500000000 ] - [ -0.0009645400000000, -0.0002516700000000, -0.0008047200000000 ] - [ 0.0025461100000000, -0.0058684500000000, -0.0047279100000000 ] - [ 0.0008140000000000, -0.0012013900000000, -0.0008888900000000 ] - [ 0.0012859900000000, 0.0011640100000000, 0.0003828600000000 ] - [ -0.0004860800000000, -0.0002204500000000, -0.0002482400000000 ] - [ -0.0008884400000000, -0.0004036900000000, -0.0000350800000000 ] - [ -0.0001573500000000, -0.0002880700000000, -0.0002779000000000 ] - [ -0.0002627700000000, -0.0003639800000000, 0.0001759400000000 ] - [ 0.0007390100000000, -0.0000285000000000, 0.0000258900000000 ] - [ 0.0008152600000000, -0.0000560400000000, -0.0000536000000000 ] - [ -0.0007034600000000, 0.0004523000000000, -0.0002471100000000 ] - [ 0.0013525300000000, 0.0007962700000000, -0.0011590700000000 ] - [ 0.0008313900000000, 0.0000258900000000, -0.0000066900000000 ] - [ 0.0008742200000000, 0.0000648900000000, -0.0000528700000000 ] - [ 0.0885437600000000, -0.1833901300000000, -0.1116189100000000 ] - [ -0.0005571500000000, 0.0003733600000000, 0.0000555200000000 ] - [ 0.0003125700000000, 0.0001575200000000, 0.0002202900000000 ] - [ 0.0000580700000000, 0.0001535000000000, 0.0004641200000000 ] - [ -0.0005897100000000, -0.0003487700000000, 0.0001791700000000 ] - [ -0.0002982300000000, -0.0002728000000000, 0.0001528400000000 ] - [ 0.0001389200000000, -0.0001258000000000, 0.0003952200000000 ] - [ 0.0001568500000000, -0.0000969000000000, 0.0003902300000000 ] - [ -0.0001628000000000, 0.0002808300000000, 0.0003134200000000 ] - [ 0.0001589500000000, 0.0007376900000000, -0.0001505000000000 ] - [ -0.0002765800000000, 0.0003428700000000, -0.0004492700000000 ] - [ -0.0006438300000000, -0.0003256000000000, -0.0000504200000000 ] - [ 0.0001063300000000, 0.0000677800000000, 0.0004530900000000 ] - [ -0.0009571000000000, 0.0035340000000000, -0.0032445000000000 ] - [ -0.0004729000000000, -0.0002060000000000, -0.0003968800000000 ] - [ -0.0021846500000000, 0.0006769300000000, 0.0015297600000000 ] - [ -0.0002362800000000, -0.0001658100000000, -0.0000956200000000 ] - [ -0.0000414600000000, -0.0000411500000000, -0.0004161200000000 ] - [ 0.0007170700000000, -0.0004761500000000, 0.0002011100000000 ] - [ -0.0005686200000000, 0.0009057500000000, 0.0004791400000000 ] - [ 0.0001178300000000, 0.0000765700000000, -0.0006040000000000 ] - [ -0.0013144600000000, 0.0012084100000000, -0.0010741500000000 ] - [ -0.0002274200000000, -0.0002756600000000, 0.0000754200000000 ] - [ 0.0008826500000000, 0.0005449600000000, -0.0011110500000000 ] - [ -0.0012951400000000, 0.0010651300000000, 0.0006592400000000 ] - [ 0.0008238100000000, -0.0000054700000000, -0.0011946400000000 ] - [ -0.0005444300000000, 0.0002961700000000, 0.0004794800000000 ] - [ -0.0007854900000000, 0.0004323100000000, 0.0005283900000000 ] - [ 0.0005511100000000, -0.0000629800000000, -0.0006801700000000 ] - [ -0.0007136100000000, -0.0005797100000000, -0.0004142700000000 ] - [ -0.0008113200000000, -0.0003335400000000, 0.0004763300000000 ] - [ -0.0008291500000000, -0.0000904900000000, 0.0006346300000000 ] - [ 0.0001127200000000, -0.0000112300000000, -0.0001705700000000 ] - [ 0.0000276400000000, 0.0000368400000000, -0.0001419200000000 ] - [ 0.0009654700000000, -0.0019693300000000, 0.0006233800000000 ] - [ 0.0015306000000000, 0.0001810100000000, 0.0020676700000000 ] - [ -0.0001757900000000, 0.0001106300000000, 0.0000830300000000 ] - [ -0.0008358600000000, 0.0008381400000000, 0.0010474800000000 ] - [ 0.0003587700000000, -0.0004969500000000, -0.0009815000000000 ] - [ 0.0002290800000000, 0.0002158600000000, 0.0001829200000000 ] - [ -0.0775708200000000, 0.1659360600000000, 0.1026224500000000 ] - [ -0.0005417100000000, -0.0004779300000000, 0.0005206600000000 ] - [ -0.0000179900000000, 0.0002822400000000, 0.0000807200000000 ] - [ 0.0010384800000000, -0.0004658200000000, -0.0000601300000000 ] - [ -0.0001840900000000, 0.0002120300000000, 0.0001797700000000 ] - [ -0.0008575000000000, 0.0005145400000000, 0.0005714600000000 ] - [ 0.0004320300000000, 0.0003711800000000, -0.0005054600000000 ] - [ 0.0002209400000000, 0.0001265400000000, -0.0007219900000000 ] - [ -0.0000245800000000, 0.0001185800000000, 0.0006284000000000 ] - [ 0.0015202500000000, 0.0028598300000000, 0.0005440400000000 ] - [ 0.0007383500000000, 0.0003042700000000, 0.0001027100000000 ] - [ 0.0007609500000000, -0.0001959400000000, 0.0001458400000000 ] - [ -0.0003697400000000, -0.0002737800000000, -0.0002238200000000 ] - [ -0.0000449200000000, -0.0009750500000000, -0.0005629300000000 ] - [ 0.0006599600000000, 0.0004974900000000, 0.0002311600000000 ] - [ 0.0005610400000000, 0.0005062000000000, 0.0000435600000000 ]- atom: 25 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ -0.0002833800000000, -0.0006864500000000, 0.0023695700000000 ] - [ 0.0004267600000000, 0.0018539100000000, -0.0008518200000000 ] - [ 0.0006586200000000, 0.0007729800000000, 0.0006382500000000 ] - [ -0.0008291900000000, 0.0012360800000000, 0.0008963200000000 ] - [ -0.0009152800000000, -0.0006279700000000, -0.0020399100000000 ] - [ -0.0027937000000000, -0.0009218700000000, -0.0060734500000000 ] - [ -0.0007768100000000, -0.0004166800000000, 0.0001382600000000 ] - [ 0.0010501000000000, 0.0004380800000000, 0.0013170600000000 ] - [ 0.0002499400000000, 0.0006009100000000, 0.0003043900000000 ] - [ 0.0162661400000000, -0.0128863300000000, -0.0133366700000000 ] - [ -0.0002984400000000, -0.0001824500000000, -0.0000432800000000 ] - [ -0.0038169700000000, 0.0055240500000000, 0.0039268900000000 ] - [ 0.0008596700000000, -0.0002824900000000, -0.0002898800000000 ] - [ 0.0003788200000000, -0.0026602300000000, -0.0015652600000000 ] - [ -0.0007861500000000, 0.0006561400000000, -0.0006129700000000 ] - [ -0.0003806400000000, 0.0008381100000000, -0.0008247400000000 ] - [ -0.0004042700000000, -0.0003094800000000, -0.0004046300000000 ] - [ -0.0003102100000000, -0.0002243000000000, -0.0008633900000000 ] - [ 0.0009126100000000, -0.0000193800000000, -0.0000754200000000 ] - [ 0.0008305200000000, 0.0000063100000000, 0.0000062600000000 ] - [ 0.0001372800000000, 0.0001330600000000, -0.0004305500000000 ] - [ -0.0019153000000000, -0.0001999200000000, 0.0005106600000000 ] - [ 0.0008154300000000, 0.0000217800000000, -0.0000423100000000 ] - [ 0.0007746900000000, -0.0000142700000000, 0.0000014500000000 ] - [ -0.0886017000000000, 0.1775624100000000, 0.1114950300000000 ] - [ -0.0003096800000000, 0.0003354600000000, 0.0000806800000000 ] - [ -0.0000020700000000, 0.0000157100000000, 0.0005588200000000 ] - [ 0.0002552400000000, 0.0000170100000000, 0.0003152000000000 ] - [ -0.0002779100000000, -0.0003614900000000, -0.0000446400000000 ] - [ -0.0005712700000000, -0.0004367600000000, -0.0000184400000000 ] - [ 0.0001725300000000, -0.0000473800000000, 0.0003819300000000 ] - [ 0.0001546900000000, -0.0000756300000000, 0.0003868400000000 ] - [ 0.0003475000000000, -0.0004654800000000, 0.0005741500000000 ] - [ 0.0000241100000000, -0.0009281600000000, 0.0010439100000000 ] - [ -0.0004761700000000, 0.0000229000000000, -0.0002145000000000 ] - [ -0.0001065500000000, 0.0006928100000000, -0.0006137600000000 ] - [ 0.0000751100000000, 0.0001111200000000, 0.0004299000000000 ] - [ 0.0011848100000000, -0.0034360900000000, 0.0042104700000000 ] - [ -0.0002776200000000, -0.0001542700000000, -0.0002599200000000 ] - [ 0.0013860200000000, -0.0010017800000000, -0.0021264200000000 ] - [ -0.0001385400000000, -0.0002588800000000, -0.0007836200000000 ] - [ -0.0003336600000000, -0.0003811800000000, -0.0004601000000000 ] - [ -0.0001866800000000, 0.0001801500000000, 0.0001171500000000 ] - [ 0.0011072300000000, -0.0012098600000000, -0.0001644200000000 ] - [ -0.0004955200000000, 0.0003395000000000, -0.0002641100000000 ] - [ 0.0009645900000000, -0.0008001600000000, 0.0002157000000000 ] - [ 0.0007642500000000, 0.0005751000000000, 0.0002479500000000 ] - [ -0.0003690900000000, -0.0002563100000000, 0.0014660000000000 ] - [ 0.0015710400000000, -0.0011181800000000, -0.0010562400000000 ] - [ -0.0005595700000000, -0.0000495900000000, 0.0007927200000000 ] - [ -0.0008395900000000, 0.0003227000000000, 0.0005411200000000 ] - [ -0.0005901000000000, 0.0001809000000000, 0.0004893900000000 ] - [ -0.0002798200000000, 0.0001135500000000, 0.0002641900000000 ] - [ 0.0010051600000000, 0.0006392700000000, -0.0000074000000000 ] - [ -0.0005667300000000, -0.0002849100000000, 0.0005447300000000 ] - [ -0.0005612800000000, -0.0005265100000000, 0.0003921400000000 ] - [ 0.0000196200000000, -0.0001128200000000, -0.0001247500000000 ] - [ 0.0001082500000000, -0.0001614100000000, -0.0001569600000000 ] - [ -0.0001294800000000, 0.0015838200000000, 0.0006248300000000 ] - [ -0.0006920300000000, -0.0005840500000000, -0.0008173300000000 ] - [ 0.0003139700000000, 0.0000116000000000, -0.0003826000000000 ] - [ 0.0009532700000000, -0.0007317800000000, -0.0013211400000000 ] - [ 0.0004987000000000, 0.0008931800000000, 0.0022349400000000 ] - [ 0.0006170900000000, 0.0001884900000000, 0.0010851300000000 ] - [ 0.0760609300000000, -0.1606011700000000, -0.1016441500000000 ] - [ -0.0006352800000000, -0.0004776400000000, 0.0004962600000000 ] - [ 0.0006786200000000, -0.0006250100000000, -0.0011808900000000 ] - [ -0.0003833800000000, 0.0001279900000000, -0.0010365500000000 ] - [ -0.0009975900000000, 0.0007477400000000, 0.0008411300000000 ] - [ -0.0003208100000000, 0.0004430800000000, 0.0004477000000000 ] - [ 0.0002369500000000, -0.0000299900000000, -0.0005832300000000 ] - [ 0.0004487200000000, 0.0002145700000000, -0.0003656700000000 ] - [ -0.0003687500000000, 0.0003893100000000, -0.0004953800000000 ] - [ -0.0019141500000000, -0.0023575500000000, -0.0004036100000000 ] - [ 0.0005778700000000, -0.0007698100000000, 0.0001463500000000 ] - [ 0.0005586800000000, -0.0002473700000000, 0.0001122200000000 ] - [ -0.0000247500000000, -0.0002338900000000, 0.0003668600000000 ] - [ -0.0003470200000000, 0.0004768600000000, 0.0007126700000000 ] - [ 0.0006614000000000, -0.0000446600000000, 0.0000359900000000 ] - [ 0.0007602600000000, -0.0000650700000000, 0.0002189500000000 ]- atom: 27 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ -0.0015866100000000, -0.0005895600000000, -0.0004576100000000 ] - [ -0.0000431300000000, -0.0001700400000000, -0.0004742700000000 ] - [ 0.0014166600000000, 0.0025901700000000, 0.0001695100000000 ] - [ 0.0027404800000000, -0.0027074000000000, 0.0001708500000000 ] - [ -0.0013721800000000, 0.0002010800000000, -0.0006010600000000 ] - [ 0.0002818100000000, -0.0008360200000000, -0.0005172000000000 ] - [ -0.0038001400000000, 0.0016193600000000, 0.0018504800000000 ] - [ 0.0005938400000000, -0.0003619200000000, 0.0010943100000000 ] - [ -0.0023972400000000, -0.0031904500000000, -0.0030398400000000 ] - [ 0.0015858300000000, 0.0009343200000000, -0.0008221900000000 ] - [ 0.0016360900000000, -0.0010615200000000, -0.0024079900000000 ] - [ 0.0104042000000000, 0.0111653900000000, 0.0186973400000000 ] - [ 0.0007231700000000, -0.0006320400000000, -0.0006968800000000 ] - [ 0.0010095700000000, -0.0017416500000000, -0.0001273700000000 ] - [ -0.0015977600000000, 0.0009740800000000, 0.0002513500000000 ] - [ -0.0003695600000000, -0.0001753100000000, -0.0007982700000000 ] - [ -0.0002863800000000, -0.0002930900000000, -0.0004026100000000 ] - [ -0.0002651800000000, -0.0002981800000000, -0.0003340300000000 ] - [ -0.0012795600000000, 0.0004970900000000, -0.0000561700000000 ] - [ 0.0013775500000000, -0.0000128300000000, -0.0003549300000000 ] - [ -0.0004098700000000, 0.0004829700000000, -0.0003782700000000 ] - [ -0.0002727000000000, 0.0002789500000000, -0.0002361300000000 ] - [ 0.0011311400000000, -0.0001232600000000, -0.0000601400000000 ] - [ 0.0011243400000000, 0.0001365000000000, 0.0001714600000000 ] - [ -0.0006091000000000, 0.0003197200000000, 0.0001437000000000 ] - [ -0.0005242800000000, 0.0003440600000000, -0.0001001100000000 ] - [ -0.0357925400000000, -0.0328732500000000, -0.0432136600000000 ] - [ 0.0003243400000000, 0.0001231100000000, 0.0004618700000000 ] - [ -0.0004142500000000, -0.0003926200000000, 0.0000605400000000 ] - [ -0.0004260200000000, -0.0003760500000000, 0.0000738400000000 ] - [ 0.0001650700000000, -0.0000907100000000, 0.0002584000000000 ] - [ 0.0002558700000000, -0.0000652900000000, 0.0005479000000000 ] - [ 0.0003269200000000, -0.0003483400000000, 0.0005288300000000 ] - [ -0.0000341100000000, 0.0000538800000000, 0.0003746700000000 ] - [ -0.0005094400000000, -0.0000677900000000, -0.0001692900000000 ] - [ -0.0004833400000000, 0.0017890500000000, -0.0014475500000000 ] - [ 0.0001483900000000, 0.0006547400000000, 0.0009468400000000 ] - [ 0.0013703000000000, 0.0003603600000000, 0.0021515300000000 ] - [ 0.0021731400000000, 0.0021218500000000, -0.0043374600000000 ] - [ -0.0006981800000000, -0.0002737800000000, -0.0002331300000000 ] - [ 0.0004418400000000, 0.0007073800000000, -0.0000685000000000 ] - [ -0.0005838200000000, -0.0005266600000000, -0.0004997300000000 ] - [ 0.0005541300000000, -0.0005218900000000, 0.0001610100000000 ] - [ 0.0000234700000000, 0.0000655700000000, 0.0002002000000000 ] - [ 0.0002703100000000, 0.0000059500000000, -0.0006164400000000 ] - [ -0.0005984300000000, 0.0006696000000000, -0.0013897100000000 ] - [ 0.0011784100000000, 0.0004325500000000, -0.0000045100000000 ] - [ -0.0001285300000000, 0.0000244000000000, 0.0002405300000000 ] - [ 0.0002314200000000, 0.0000997600000000, -0.0001556900000000 ] - [ 0.0000398900000000, -0.0000465600000000, -0.0002126200000000 ] - [ -0.0003172400000000, -0.0007182900000000, 0.0009380500000000 ] - [ -0.0020034500000000, 0.0001600700000000, 0.0003401600000000 ] - [ 0.0003228800000000, -0.0000498100000000, -0.0002373600000000 ] - [ 0.0001313400000000, 0.0003069500000000, -0.0002847300000000 ] - [ 0.0003203100000000, -0.0002380000000000, 0.0022441900000000 ] - [ -0.0011514700000000, -0.0002836800000000, 0.0001924900000000 ] - [ 0.0000968400000000, -0.0012224500000000, -0.0007509000000000 ] - [ -0.0005609300000000, 0.0002968200000000, 0.0004979400000000 ] - [ 0.0005467100000000, -0.0000902900000000, 0.0007046500000000 ] - [ 0.0003372900000000, -0.0002049700000000, 0.0005697600000000 ] - [ -0.0004348100000000, -0.0000255100000000, 0.0008959900000000 ] - [ 0.0004739400000000, 0.0000053100000000, -0.0011517800000000 ] - [ 0.0005417000000000, 0.0001928500000000, 0.0007871100000000 ] - [ 0.0006189300000000, 0.0008822100000000, 0.0008803600000000 ] - [ -0.0007177800000000, -0.0007883400000000, 0.0002978800000000 ] - [ -0.0002041900000000, 0.0000170100000000, 0.0010577000000000 ] - [ 0.0264530500000000, 0.0184462800000000, 0.0299450600000000 ] - [ -0.0000976600000000, -0.0001056100000000, -0.0007019100000000 ] - [ -0.0005666000000000, 0.0006727200000000, 0.0004569800000000 ] - [ -0.0005883400000000, 0.0004323500000000, 0.0004751100000000 ] - [ 0.0004456100000000, 0.0002546400000000, -0.0003857800000000 ] - [ 0.0001399900000000, 0.0000105800000000, -0.0008159400000000 ] - [ -0.0001088400000000, 0.0006171100000000, 0.0002603400000000 ] - [ -0.0003230200000000, 0.0001868000000000, 0.0000620100000000 ] - [ -0.0015258900000000, 0.0030135300000000, -0.0011089300000000 ] - [ 0.0000820400000000, -0.0004829200000000, 0.0002733200000000 ] - [ -0.0001418100000000, -0.0001557000000000, 0.0001244700000000 ] - [ -0.0002104200000000, 0.0001307400000000, -0.0000243400000000 ] - [ 0.0004999500000000, 0.0002483700000000, 0.0001899000000000 ] - [ 0.0008960100000000, -0.0003844800000000, -0.0000736200000000 ]- atom: 27 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ 0.0004410800000000, 0.0002402500000000, -0.0004964200000000 ] - [ -0.0010983100000000, -0.0001817700000000, -0.0004789600000000 ] - [ -0.0010789500000000, -0.0011265000000000, 0.0010746900000000 ] - [ -0.0024036800000000, 0.0041767800000000, 0.0010794100000000 ] - [ 0.0002223500000000, 0.0001450200000000, -0.0003543300000000 ] - [ -0.0014103300000000, 0.0011695400000000, -0.0004226300000000 ] - [ 0.0041399700000000, -0.0030542400000000, -0.0006234800000000 ] - [ -0.0002653000000000, -0.0010884500000000, 0.0001643200000000 ] - [ 0.0040027700000000, 0.0047035600000000, 0.0018272400000000 ] - [ 0.0000828500000000, 0.0005440500000000, -0.0003512400000000 ] - [ -0.0028714500000000, 0.0006328300000000, 0.0015227100000000 ] - [ -0.0116589500000000, -0.0116739100000000, -0.0198901400000000 ] - [ 0.0009478200000000, -0.0008524000000000, -0.0004828000000000 ] - [ 0.0006619300000000, 0.0002667100000000, -0.0010564100000000 ] - [ 0.0003232700000000, -0.0005445200000000, -0.0011128300000000 ] - [ -0.0009028300000000, 0.0006064200000000, -0.0000595100000000 ] - [ -0.0002831000000000, -0.0002940800000000, -0.0002788600000000 ] - [ -0.0003052700000000, -0.0002886500000000, -0.0003432400000000 ] - [ 0.0029253100000000, -0.0005651500000000, 0.0000204000000000 ] - [ 0.0002719600000000, -0.0000361000000000, 0.0003036000000000 ] - [ -0.0001628100000000, 0.0001052200000000, -0.0003006500000000 ] - [ -0.0002961400000000, 0.0003079000000000, -0.0004475000000000 ] - [ 0.0005184700000000, 0.0001725400000000, 0.0000160000000000 ] - [ 0.0005256900000000, -0.0000877700000000, -0.0002181800000000 ] - [ -0.0002548900000000, 0.0003908900000000, -0.0000114200000000 ] - [ -0.0003456000000000, 0.0003639100000000, 0.0002327400000000 ] - [ 0.0350835600000000, 0.0309044700000000, 0.0422173400000000 ] - [ -0.0000126800000000, 0.0000505300000000, 0.0003169900000000 ] - [ -0.0004556300000000, -0.0003161800000000, 0.0000751000000000 ] - [ -0.0004418700000000, -0.0003328500000000, 0.0000619700000000 ] - [ 0.0001464900000000, -0.0000819300000000, 0.0005189900000000 ] - [ 0.0000564300000000, -0.0001078500000000, 0.0002300800000000 ] - [ -0.0001432800000000, 0.0001666600000000, 0.0003577800000000 ] - [ 0.0002162400000000, -0.0002334500000000, 0.0005104800000000 ] - [ -0.0002419400000000, 0.0004323500000000, -0.0004933700000000 ] - [ -0.0002676700000000, -0.0014267400000000, 0.0007843500000000 ] - [ 0.0000353900000000, -0.0004662300000000, -0.0000534400000000 ] - [ -0.0012356000000000, -0.0002090500000000, -0.0013222200000000 ] - [ -0.0028602600000000, -0.0024852800000000, 0.0036485200000000 ] - [ -0.0000507700000000, -0.0000920500000000, -0.0004336900000000 ] - [ -0.0008126300000000, -0.0011227000000000, -0.0008051500000000 ] - [ 0.0002095300000000, 0.0001048600000000, -0.0003757600000000 ] - [ -0.0000192000000000, 0.0002229500000000, 0.0001580300000000 ] - [ 0.0005094200000000, -0.0003650700000000, 0.0001197000000000 ] - [ -0.0006384100000000, 0.0004138300000000, -0.0002571900000000 ] - [ 0.0002146300000000, -0.0002350000000000, 0.0005136300000000 ] - [ -0.0006406000000000, -0.0001309500000000, 0.0003213300000000 ] - [ 0.0006684200000000, 0.0002782000000000, 0.0000703800000000 ] - [ 0.0000447500000000, -0.0001505900000000, -0.0002599000000000 ] - [ 0.0002379600000000, -0.0000022900000000, -0.0002048800000000 ] - [ -0.0010579000000000, 0.0013362600000000, 0.0000847400000000 ] - [ 0.0006146100000000, 0.0004499800000000, 0.0006759400000000 ] - [ -0.0000424400000000, 0.0001001300000000, -0.0001799500000000 ] - [ 0.0001367900000000, -0.0002646500000000, -0.0001288600000000 ] - [ -0.0017130400000000, -0.0003862500000000, -0.0012296200000000 ] - [ -0.0002300800000000, -0.0003347300000000, 0.0008222400000000 ] - [ 0.0000438300000000, 0.0010941100000000, 0.0004506100000000 ] - [ 0.0006908700000000, -0.0004207700000000, -0.0007897700000000 ] - [ 0.0002943100000000, -0.0003132800000000, 0.0005534900000000 ] - [ 0.0005028700000000, -0.0001976900000000, 0.0006881700000000 ] - [ 0.0005579800000000, 0.0001500000000000, -0.0011781800000000 ] - [ -0.0003589600000000, 0.0001342500000000, 0.0008293300000000 ] - [ 0.0002987500000000, 0.0002107800000000, 0.0004687200000000 ] - [ 0.0002315800000000, -0.0004753700000000, 0.0003904800000000 ] - [ -0.0004594800000000, -0.0001661800000000, 0.0007242700000000 ] - [ -0.0009759600000000, -0.0009623800000000, -0.0000430300000000 ] - [ -0.0246936700000000, -0.0166045300000000, -0.0287917800000000 ] - [ 0.0007630600000000, -0.0002341700000000, -0.0003905600000000 ] - [ -0.0006110700000000, 0.0002834500000000, 0.0005617100000000 ] - [ -0.0005922200000000, 0.0005253000000000, 0.0005439200000000 ] - [ 0.0002232400000000, 0.0000863200000000, -0.0007036800000000 ] - [ 0.0005277300000000, 0.0003300300000000, -0.0002746500000000 ] - [ -0.0002828800000000, -0.0001102500000000, -0.0001221100000000 ] - [ -0.0000709300000000, 0.0003243600000000, 0.0000794100000000 ] - [ 0.0028290000000000, -0.0034509500000000, 0.0013830100000000 ] - [ 0.0012369300000000, 0.0000279600000000, -0.0000156100000000 ] - [ -0.0002529100000000, -0.0003507800000000, 0.0000158300000000 ] - [ -0.0001806500000000, -0.0006514400000000, 0.0001599300000000 ] - [ 0.0008197700000000, 0.0001948100000000, 0.0000700300000000 ] - [ 0.0004227500000000, 0.0008279700000000, 0.0003344000000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003138200000000, 0.0019418500000000, -0.0004049600000000 ] - [ -0.0005260000000000, 0.0009818500000000, -0.0003822400000000 ] - [ 0.0026087900000000, 0.0024957600000000, 0.0000170000000000 ] - [ -0.0030978600000000, 0.0055669500000000, 0.0010724200000000 ] - [ -0.0006372100000000, 0.0009106600000000, -0.0009149300000000 ] - [ -0.0009764500000000, 0.0010892500000000, -0.0002752100000000 ] - [ 0.0021868500000000, -0.0041011600000000, -0.0002468800000000 ] - [ -0.0010049700000000, -0.0011887000000000, 0.0021082600000000 ] - [ -0.0021347300000000, 0.0110863100000000, -0.0034562800000000 ] - [ 0.0013893700000000, 0.0011258000000000, -0.0007803800000000 ] - [ -0.0008414500000000, -0.0022763600000000, -0.0004265700000000 ] - [ 0.0014701800000000, -0.0096047400000000, -0.0015749500000000 ] - [ 0.0007997900000000, 0.0002535800000000, -0.0008783900000000 ] - [ 0.0006920400000000, 0.0010846200000000, -0.0011761400000000 ] - [ -0.0007965100000000, 0.0010830100000000, 0.0017578600000000 ] - [ -0.0008017400000000, 0.0001373300000000, 0.0001616700000000 ] - [ -0.0002978400000000, -0.0002509300000000, -0.0003378900000000 ] - [ -0.0003108700000000, -0.0002325200000000, -0.0002577400000000 ] - [ 0.0016836100000000, 0.0015658800000000, -0.0022230000000000 ] - [ 0.0007326800000000, 0.0000253400000000, 0.0003445200000000 ] - [ -0.0002589300000000, 0.0003035100000000, -0.0002963100000000 ] - [ -0.0002248400000000, 0.0003464000000000, -0.0004425200000000 ] - [ 0.0003933600000000, 0.0001287200000000, -0.0002371300000000 ] - [ 0.0010469800000000, -0.0001724500000000, 0.0000613500000000 ] - [ -0.0005014700000000, 0.0004650700000000, 0.0001082400000000 ] - [ -0.0003677300000000, 0.0004791300000000, 0.0001855300000000 ] - [ -0.0301177200000000, -0.2135770600000000, -0.1875677900000000 ] - [ 0.0001916500000000, -0.0000655800000000, 0.0004359700000000 ] - [ -0.0004850100000000, -0.0002309000000000, 0.0000838000000000 ] - [ -0.0004360000000000, -0.0002373200000000, 0.0000794400000000 ] - [ 0.0001608400000000, -0.0001085600000000, 0.0002947100000000 ] - [ 0.0001344400000000, -0.0002407700000000, 0.0002902200000000 ] - [ 0.0002044200000000, -0.0007021900000000, 0.0004943100000000 ] - [ 0.0001339200000000, -0.0003714100000000, 0.0004375900000000 ] - [ -0.0005576000000000, -0.0002862300000000, -0.0001001000000000 ] - [ -0.0002184000000000, -0.0014048900000000, 0.0006616800000000 ] - [ 0.0000657900000000, 0.0003100100000000, 0.0006947800000000 ] - [ -0.0009708600000000, -0.0008753200000000, -0.0003721200000000 ] - [ 0.0003412900000000, 0.0014945100000000, 0.0035092900000000 ] - [ -0.0004172100000000, 0.0000315600000000, -0.0002915900000000 ] - [ -0.0004052500000000, -0.0010751600000000, -0.0006290200000000 ] - [ -0.0005284100000000, -0.0006283100000000, -0.0004357900000000 ] - [ 0.0004492800000000, -0.0009894200000000, 0.0002021100000000 ] - [ 0.0004943900000000, -0.0005289900000000, 0.0001611800000000 ] - [ 0.0000165200000000, 0.0001450100000000, -0.0005433800000000 ] - [ -0.0004670800000000, 0.0000923400000000, -0.0002662400000000 ] - [ -0.0001281500000000, 0.0001243000000000, 0.0005197300000000 ] - [ 0.0004775400000000, 0.0001767000000000, 0.0000688700000000 ] - [ 0.0000753200000000, -0.0006993800000000, -0.0003459400000000 ] - [ 0.0001478100000000, -0.0003326900000000, -0.0003061300000000 ] - [ -0.0020801900000000, -0.0004853200000000, 0.0012266100000000 ] - [ 0.0007490400000000, 0.0008949200000000, 0.0008385700000000 ] - [ 0.0001904800000000, -0.0001505000000000, -0.0001854500000000 ] - [ -0.0000314700000000, -0.0004592000000000, -0.0000456800000000 ] - [ -0.0005510000000000, 0.0005289300000000, -0.0001318100000000 ] - [ -0.0007485600000000, 0.0000140300000000, 0.0001741800000000 ] - [ -0.0006532700000000, -0.0014299200000000, -0.0009150200000000 ] - [ 0.0007882100000000, -0.0003762700000000, -0.0009755700000000 ] - [ 0.0003414300000000, -0.0005384200000000, 0.0005230400000000 ] - [ 0.0003716800000000, -0.0004385700000000, 0.0005518900000000 ] - [ 0.0001312700000000, 0.0004195500000000, -0.0004927700000000 ] - [ 0.0004788600000000, 0.0015336800000000, -0.0032545400000000 ] - [ 0.0004284600000000, 0.0000523900000000, 0.0007441900000000 ] - [ 0.0009656700000000, 0.0001404300000000, 0.0013737700000000 ] - [ -0.0013958400000000, -0.0008674500000000, 0.0006015500000000 ] - [ -0.0004586500000000, -0.0007006500000000, 0.0000878800000000 ] - [ 0.0288552500000000, 0.2090226700000000, 0.1899497800000000 ] - [ 0.0000564400000000, 0.0000709600000000, -0.0006312600000000 ] - [ -0.0005370300000000, 0.0001223800000000, 0.0005524600000000 ] - [ -0.0005056400000000, 0.0001979300000000, 0.0004229300000000 ] - [ 0.0003494100000000, 0.0001616900000000, -0.0005813600000000 ] - [ 0.0001505800000000, 0.0001351300000000, -0.0008073000000000 ] - [ -0.0002035700000000, -0.0011504700000000, -0.0004742200000000 ] - [ -0.0003656700000000, -0.0003361100000000, 0.0000276400000000 ] - [ 0.0038502500000000, -0.0002790800000000, 0.0022332900000000 ] - [ 0.0003631700000000, 0.0004845300000000, 0.0002994700000000 ] - [ -0.0001621400000000, -0.0007352200000000, 0.0002525100000000 ] - [ -0.0000059600000000, -0.0012233600000000, 0.0002723000000000 ] - [ 0.0011015200000000, 0.0007991700000000, -0.0001300700000000 ] - [ 0.0004545300000000, 0.0013277200000000, -0.0000879300000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008223800000000, -0.0022744100000000, -0.0005481700000000 ] - [ -0.0006199100000000, -0.0013194200000000, -0.0005691200000000 ] - [ -0.0022371900000000, -0.0010428600000000, 0.0012157000000000 ] - [ 0.0033559900000000, -0.0039682800000000, 0.0002025000000000 ] - [ -0.0005084200000000, -0.0005452100000000, -0.0000322900000000 ] - [ -0.0001698700000000, -0.0007239400000000, -0.0006734500000000 ] - [ -0.0018402000000000, 0.0026338100000000, 0.0014620000000000 ] - [ 0.0013554400000000, -0.0002821500000000, -0.0008572000000000 ] - [ 0.0038570300000000, -0.0096887200000000, 0.0023185000000000 ] - [ 0.0002815200000000, 0.0003661000000000, -0.0003960300000000 ] - [ -0.0004746100000000, 0.0018295800000000, -0.0004219000000000 ] - [ -0.0024650000000000, 0.0090246100000000, 0.0009352500000000 ] - [ 0.0008700300000000, -0.0017257400000000, -0.0003057600000000 ] - [ 0.0009765000000000, -0.0025378700000000, -0.0000157800000000 ] - [ -0.0004790000000000, -0.0006531500000000, -0.0025891500000000 ] - [ -0.0004705900000000, 0.0002911600000000, -0.0010101600000000 ] - [ -0.0002726000000000, -0.0003353300000000, -0.0003400000000000 ] - [ -0.0002593800000000, -0.0003540600000000, -0.0004215600000000 ] - [ 0.0000048200000000, -0.0016065300000000, 0.0021338400000000 ] - [ 0.0009056500000000, -0.0000768500000000, -0.0003812500000000 ] - [ -0.0003133800000000, 0.0002896200000000, -0.0003853700000000 ] - [ -0.0003448400000000, 0.0002413300000000, -0.0002400100000000 ] - [ 0.0012563200000000, -0.0000795000000000, 0.0001874800000000 ] - [ 0.0006000300000000, 0.0002191500000000, -0.0001108900000000 ] - [ -0.0003645400000000, 0.0002472000000000, 0.0000242300000000 ] - [ -0.0005022000000000, 0.0002316100000000, -0.0000518000000000 ] - [ 0.0320344900000000, 0.2210230500000000, 0.2003506300000000 ] - [ 0.0001194700000000, 0.0002354500000000, 0.0003421000000000 ] - [ -0.0003840000000000, -0.0004763400000000, 0.0000520900000000 ] - [ -0.0004329500000000, -0.0004705600000000, 0.0000565100000000 ] - [ 0.0001513400000000, -0.0000656800000000, 0.0004822000000000 ] - [ 0.0001762600000000, 0.0000658600000000, 0.0004847200000000 ] - [ -0.0000212500000000, 0.0005182500000000, 0.0003902300000000 ] - [ 0.0000497600000000, 0.0001885900000000, 0.0004474900000000 ] - [ -0.0001953100000000, 0.0006492700000000, -0.0005616900000000 ] - [ -0.0005306100000000, 0.0017393300000000, -0.0013104600000000 ] - [ 0.0001183200000000, -0.0001353900000000, 0.0001873000000000 ] - [ 0.0011295200000000, 0.0010555000000000, 0.0012363900000000 ] - [ -0.0010949900000000, -0.0019013300000000, -0.0041689000000000 ] - [ -0.0003354000000000, -0.0003965400000000, -0.0003734400000000 ] - [ 0.0000311800000000, 0.0006480400000000, -0.0002478500000000 ] - [ 0.0001524400000000, 0.0002057000000000, -0.0004382800000000 ] - [ 0.0000822200000000, 0.0006878400000000, 0.0001192300000000 ] - [ 0.0000458000000000, 0.0002215900000000, 0.0001576900000000 ] - [ -0.0003910000000000, 0.0002774600000000, -0.0003389600000000 ] - [ 0.0000904700000000, 0.0003313300000000, -0.0006073300000000 ] - [ 0.0006556000000000, 0.0001669700000000, -0.0001994100000000 ] - [ 0.0000599400000000, 0.0001241000000000, 0.0002458800000000 ] - [ 0.0002020500000000, 0.0006486900000000, -0.0000709800000000 ] - [ 0.0001295900000000, 0.0002793200000000, -0.0001103700000000 ] - [ 0.0006773600000000, 0.0011122300000000, -0.0001979100000000 ] - [ -0.0020893600000000, -0.0002756800000000, 0.0001807200000000 ] - [ 0.0000888000000000, 0.0001943000000000, -0.0002303600000000 ] - [ 0.0003052000000000, 0.0004981900000000, -0.0003673600000000 ] - [ -0.0008326700000000, -0.0011338700000000, 0.0011573800000000 ] - [ -0.0006311100000000, -0.0006300400000000, 0.0008487300000000 ] - [ 0.0007724800000000, 0.0012915900000000, 0.0006121600000000 ] - [ -0.0006446400000000, 0.0002474700000000, 0.0006669200000000 ] - [ 0.0004983000000000, 0.0001298600000000, 0.0007343300000000 ] - [ 0.0004690900000000, 0.0000329500000000, 0.0007063300000000 ] - [ 0.0000089000000000, -0.0002930500000000, 0.0001888200000000 ] - [ -0.0003416800000000, -0.0014092200000000, 0.0029803900000000 ] - [ 0.0004110400000000, 0.0003472900000000, 0.0005110400000000 ] - [ -0.0001243200000000, 0.0002491100000000, -0.0001154800000000 ] - [ 0.0002117600000000, -0.0000900200000000, 0.0004208100000000 ] - [ -0.0007151700000000, -0.0002612600000000, 0.0009367500000000 ] - [ -0.0301767700000000, -0.2163835000000000, -0.2033883800000000 ] - [ 0.0006186200000000, -0.0004109700000000, -0.0004556900000000 ] - [ -0.0006425700000000, 0.0008298800000000, 0.0004677800000000 ] - [ -0.0006721400000000, 0.0007565300000000, 0.0005950500000000 ] - [ 0.0003176200000000, 0.0001799500000000, -0.0005099200000000 ] - [ 0.0005178300000000, 0.0002069500000000, -0.0002838600000000 ] - [ -0.0001945700000000, 0.0016555400000000, 0.0006193000000000 ] - [ -0.0000291500000000, 0.0008375000000000, 0.0001110900000000 ] - [ -0.0023971100000000, -0.0002507600000000, -0.0018928800000000 ] - [ 0.0009609800000000, -0.0009123100000000, -0.0000377300000000 ] - [ -0.0002307300000000, 0.0002177100000000, -0.0001128100000000 ] - [ -0.0003867900000000, 0.0006973600000000, -0.0001318900000000 ] - [ 0.0002190200000000, -0.0003450800000000, 0.0003868900000000 ] - [ 0.0008696200000000, -0.0008693100000000, 0.0003453800000000 ]- atom: 27 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ -0.0008745700000000, -0.0009208900000000, -0.0008332900000000 ] - [ -0.0005683800000000, -0.0003576900000000, -0.0005934600000000 ] - [ -0.0011121300000000, -0.0012533500000000, -0.0007352300000000 ] - [ -0.0004297100000000, 0.0009317600000000, 0.0001159300000000 ] - [ -0.0012623500000000, -0.0005098500000000, 0.0006543100000000 ] - [ 0.0005769800000000, -0.0002626000000000, 0.0006651900000000 ] - [ 0.0007965800000000, -0.0010613700000000, 0.0101438900000000 ] - [ -0.0005166400000000, -0.0005367500000000, 0.0017730600000000 ] - [ 0.0014272600000000, -0.0056926700000000, -0.0049820200000000 ] - [ 0.0006917100000000, 0.0005647700000000, -0.0010849800000000 ] - [ -0.0037908100000000, 0.0009776000000000, 0.0014945700000000 ] - [ 0.0021389100000000, -0.0015756700000000, 0.0002533700000000 ] - [ 0.0007991600000000, -0.0012846300000000, -0.0001959900000000 ] - [ 0.0009443700000000, -0.0008604100000000, -0.0004864800000000 ] - [ 0.0002902100000000, 0.0018896100000000, -0.0010809300000000 ] - [ -0.0007930200000000, 0.0004129600000000, -0.0005799900000000 ] - [ -0.0002787000000000, -0.0002921900000000, -0.0003255000000000 ] - [ -0.0002596500000000, -0.0003001200000000, -0.0002934900000000 ] - [ 0.0017354700000000, -0.0020594800000000, 0.0006913200000000 ] - [ 0.0008180300000000, 0.0000243200000000, -0.0000390300000000 ] - [ -0.0003046900000000, 0.0003013000000000, -0.0004077300000000 ] - [ -0.0002816200000000, 0.0003022500000000, -0.0003662900000000 ] - [ -0.0008225400000000, 0.0001233500000000, 0.0000062000000000 ] - [ 0.0012492500000000, 0.0001107800000000, -0.0000531700000000 ] - [ -0.0002081000000000, 0.0005393700000000, -0.0000622800000000 ] - [ -0.0004270800000000, 0.0002989800000000, 0.0002051200000000 ] - [ -0.0164847200000000, -0.1483289500000000, -0.1541461500000000 ] - [ 0.0001341400000000, 0.0001092300000000, 0.0002352800000000 ] - [ -0.0004653100000000, -0.0003619600000000, 0.0000663800000000 ] - [ -0.0004136900000000, -0.0003844300000000, 0.0000809500000000 ] - [ 0.0000373100000000, -0.0000019400000000, 0.0006088000000000 ] - [ 0.0002424900000000, -0.0000127000000000, 0.0005321700000000 ] - [ 0.0000694100000000, -0.0002608500000000, 0.0007526300000000 ] - [ 0.0001025200000000, -0.0001340600000000, 0.0005024800000000 ] - [ -0.0001440700000000, 0.0006963000000000, -0.0006155700000000 ] - [ -0.0003388000000000, 0.0003900900000000, -0.0005663700000000 ] - [ 0.0002048500000000, -0.0005907700000000, -0.0003557400000000 ] - [ -0.0005971800000000, -0.0006935100000000, -0.0012914000000000 ] - [ -0.0028041100000000, 0.0044319500000000, -0.0031107600000000 ] - [ -0.0000826500000000, -0.0000279200000000, -0.0002928600000000 ] - [ 0.0000918500000000, 0.0002625600000000, -0.0001783900000000 ] - [ -0.0001488900000000, -0.0001222000000000, -0.0003368300000000 ] - [ 0.0000264200000000, 0.0004855100000000, 0.0003990100000000 ] - [ 0.0002228100000000, -0.0000189100000000, 0.0002571200000000 ] - [ 0.0000405000000000, -0.0000769200000000, -0.0005211200000000 ] - [ -0.0011778600000000, 0.0004334600000000, -0.0021956300000000 ] - [ 0.0012629300000000, 0.0014622100000000, -0.0008153400000000 ] - [ 0.0001773100000000, 0.0002450400000000, -0.0003272400000000 ] - [ 0.0001941600000000, 0.0001987500000000, -0.0001901400000000 ] - [ 0.0001105700000000, -0.0000204800000000, -0.0002113400000000 ] - [ 0.0002866300000000, 0.0021854000000000, 0.0002753100000000 ] - [ -0.0009960500000000, 0.0007533200000000, 0.0004927100000000 ] - [ 0.0001378600000000, 0.0000341800000000, -0.0001804300000000 ] - [ -0.0000221100000000, -0.0000388500000000, -0.0002238800000000 ] - [ 0.0003969800000000, -0.0012451100000000, -0.0023941800000000 ] - [ -0.0008855300000000, -0.0003108000000000, 0.0004337400000000 ] - [ -0.0004552100000000, 0.0001445700000000, 0.0010683400000000 ] - [ -0.0001310900000000, -0.0000685100000000, 0.0004773100000000 ] - [ 0.0004840200000000, -0.0001562300000000, 0.0007309700000000 ] - [ 0.0003748900000000, -0.0001435800000000, 0.0005883000000000 ] - [ 0.0008902900000000, 0.0002122300000000, -0.0021974300000000 ] - [ 0.0007285800000000, -0.0003204300000000, -0.0011010100000000 ] - [ 0.0006801100000000, 0.0002959700000000, 0.0008660500000000 ] - [ 0.0005367000000000, 0.0009436400000000, 0.0007654300000000 ] - [ -0.0013612500000000, -0.0006002500000000, 0.0013821200000000 ] - [ -0.0008443900000000, -0.0005071700000000, 0.0009099200000000 ] - [ 0.0189477400000000, 0.1495627600000000, 0.1547003600000000 ] - [ 0.0005636100000000, -0.0003522000000000, -0.0003679500000000 ] - [ -0.0005686800000000, 0.0005001800000000, 0.0004878600000000 ] - [ -0.0005292800000000, 0.0005111800000000, 0.0003831600000000 ] - [ 0.0004765600000000, 0.0000651200000000, -0.0006288700000000 ] - [ 0.0000623200000000, -0.0000267700000000, -0.0006321500000000 ] - [ -0.0003612800000000, 0.0011990400000000, 0.0005300900000000 ] - [ -0.0002205700000000, 0.0003234100000000, 0.0001251400000000 ] - [ -0.0000965700000000, 0.0008473500000000, 0.0020162300000000 ] - [ 0.0010359500000000, -0.0000598600000000, 0.0002684200000000 ] - [ -0.0001504200000000, 0.0001111500000000, -0.0001789000000000 ] - [ -0.0002100600000000, -0.0004496600000000, -0.0001215000000000 ] - [ 0.0014978700000000, 0.0001023500000000, -0.0002950600000000 ] - [ -0.0000655600000000, -0.0007013000000000, -0.0003431300000000 ]- atom: 27 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ -0.0002790600000000, 0.0005667500000000, -0.0001217900000000 ] - [ -0.0005697500000000, 0.0000053800000000, -0.0003614700000000 ] - [ 0.0014594300000000, 0.0027215300000000, 0.0020029100000000 ] - [ 0.0007927900000000, 0.0004962100000000, 0.0011110700000000 ] - [ 0.0001025400000000, 0.0008495400000000, -0.0016033900000000 ] - [ -0.0016987700000000, 0.0006034300000000, -0.0015800200000000 ] - [ -0.0004066800000000, -0.0004209500000000, -0.0087939400000000 ] - [ 0.0008404800000000, -0.0009185100000000, -0.0005125400000000 ] - [ 0.0002106900000000, 0.0071906600000000, 0.0037118200000000 ] - [ 0.0009813300000000, 0.0009149300000000, -0.0000972300000000 ] - [ 0.0025618200000000, -0.0014221200000000, -0.0023548400000000 ] - [ -0.0032393100000000, 0.0011088900000000, -0.0009522700000000 ] - [ 0.0008715900000000, -0.0001962100000000, -0.0009820400000000 ] - [ 0.0007265800000000, -0.0006232800000000, -0.0006925900000000 ] - [ -0.0015482600000000, -0.0014398000000000, 0.0002076800000000 ] - [ -0.0004812100000000, 0.0000236100000000, -0.0002849400000000 ] - [ -0.0002910700000000, -0.0002953400000000, -0.0003564700000000 ] - [ -0.0003104400000000, -0.0002868800000000, -0.0003833300000000 ] - [ -0.0001106500000000, 0.0020271100000000, -0.0007296900000000 ] - [ 0.0008376400000000, -0.0000721100000000, -0.0000140200000000 ] - [ -0.0002686200000000, 0.0002890400000000, -0.0002718000000000 ] - [ -0.0002866600000000, 0.0002855500000000, -0.0003176600000000 ] - [ 0.0024389000000000, -0.0000756900000000, -0.0000586000000000 ] - [ 0.0004040200000000, -0.0000617700000000, 0.0000036700000000 ] - [ -0.0006599400000000, 0.0001706100000000, 0.0001955900000000 ] - [ -0.0004423600000000, 0.0004095400000000, -0.0000686700000000 ] - [ 0.0200062600000000, 0.1545411300000000, 0.1572597400000000 ] - [ 0.0001785600000000, 0.0000649400000000, 0.0005425700000000 ] - [ -0.0004044900000000, -0.0003471400000000, 0.0000690200000000 ] - [ -0.0004539000000000, -0.0003246300000000, 0.0000551700000000 ] - [ 0.0002733500000000, -0.0001684900000000, 0.0001690700000000 ] - [ 0.0000707100000000, -0.0001592800000000, 0.0002481800000000 ] - [ 0.0001136900000000, 0.0000778500000000, 0.0001374600000000 ] - [ 0.0000794900000000, -0.0000473000000000, 0.0003849900000000 ] - [ -0.0006108200000000, -0.0003351000000000, -0.0000472300000000 ] - [ -0.0004128900000000, -0.0000095000000000, -0.0001086500000000 ] - [ -0.0000206300000000, 0.0007817400000000, 0.0012468000000000 ] - [ 0.0007451600000000, 0.0008358000000000, 0.0021227200000000 ] - [ 0.0019937400000000, -0.0047181300000000, 0.0024385900000000 ] - [ -0.0006658500000000, -0.0003351900000000, -0.0003703000000000 ] - [ -0.0004599200000000, -0.0006727500000000, -0.0006907400000000 ] - [ -0.0002254800000000, -0.0002996200000000, -0.0005391300000000 ] - [ 0.0005112000000000, -0.0007877600000000, -0.0000826600000000 ] - [ 0.0003073100000000, -0.0002758300000000, 0.0000645700000000 ] - [ -0.0004057500000000, 0.0004976900000000, -0.0003545500000000 ] - [ 0.0007867500000000, -0.0000013000000000, 0.0013045400000000 ] - [ -0.0007233800000000, -0.0011482100000000, 0.0011277900000000 ] - [ 0.0003601000000000, 0.0000585400000000, 0.0006359600000000 ] - [ 0.0000834300000000, -0.0002478000000000, -0.0002236200000000 ] - [ 0.0001670200000000, -0.0000290100000000, -0.0002062200000000 ] - [ -0.0016713300000000, -0.0015906700000000, 0.0007417200000000 ] - [ -0.0004025600000000, -0.0001289000000000, 0.0005274500000000 ] - [ 0.0001442200000000, 0.0000151100000000, -0.0002373200000000 ] - [ 0.0002889200000000, 0.0000798900000000, -0.0001917900000000 ] - [ -0.0017581100000000, 0.0006107400000000, 0.0033625200000000 ] - [ -0.0004964300000000, -0.0003074400000000, 0.0005843300000000 ] - [ 0.0005944300000000, -0.0002611200000000, -0.0013638900000000 ] - [ 0.0002598600000000, -0.0000547800000000, -0.0007624600000000 ] - [ 0.0003589100000000, -0.0002466900000000, 0.0005289900000000 ] - [ 0.0004633700000000, -0.0002596400000000, 0.0006672300000000 ] - [ -0.0007647800000000, -0.0000827800000000, 0.0018960200000000 ] - [ -0.0005817800000000, 0.0004621000000000, 0.0007728700000000 ] - [ 0.0001627500000000, 0.0001079000000000, 0.0003928700000000 ] - [ 0.0003040800000000, -0.0005291100000000, 0.0004887500000000 ] - [ 0.0001894700000000, -0.0003558500000000, -0.0003637600000000 ] - [ -0.0003299500000000, -0.0004456100000000, 0.0001118500000000 ] - [ -0.0215841000000000, -0.1559979300000000, -0.1581470000000000 ] - [ 0.0000916500000000, 0.0000128700000000, -0.0007270200000000 ] - [ -0.0006074800000000, 0.0004569200000000, 0.0005293900000000 ] - [ -0.0006513100000000, 0.0004456000000000, 0.0006349100000000 ] - [ 0.0001948900000000, 0.0002736100000000, -0.0004597500000000 ] - [ 0.0006015800000000, 0.0003649500000000, -0.0004601300000000 ] - [ -0.0000313600000000, -0.0006884900000000, -0.0003864700000000 ] - [ -0.0001746600000000, 0.0001869700000000, 0.0000171300000000 ] - [ 0.0014083700000000, -0.0012668000000000, -0.0017432300000000 ] - [ 0.0002784900000000, -0.0003961100000000, -0.0000143900000000 ] - [ -0.0002432900000000, -0.0006153100000000, 0.0003178900000000 ] - [ -0.0001824100000000, -0.0000686600000000, 0.0002529200000000 ] - [ -0.0001621800000000, 0.0003402300000000, 0.0005513300000000 ] - [ 0.0013720500000000, 0.0011382500000000, 0.0005995400000000 ]- atom: 33 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ 0.0568394400000000, -0.0233315400000000, 0.0556288800000000 ] - [ -0.0064314500000000, -0.0013735400000000, 0.0020237200000000 ] - [ -0.0027054400000000, 0.0039692600000000, 0.0084222100000000 ] - [ -0.0046946000000000, -0.0032632800000000, -0.0047590100000000 ] - [ -0.0007549200000000, 0.0007369400000000, 0.0003131900000000 ] - [ -0.0005642600000000, -0.0009187400000000, -0.0012259400000000 ] - [ -0.0008618000000000, -0.0012794100000000, 0.0005882500000000 ] - [ 0.0000036800000000, -0.0006237800000000, 0.0003632500000000 ] - [ 0.0035467500000000, 0.0014425100000000, -0.0005388800000000 ] - [ -0.0008038300000000, 0.0004278200000000, -0.0006642300000000 ] - [ -0.0007952600000000, 0.0009527400000000, 0.0002021600000000 ] - [ -0.0006275400000000, -0.0010942500000000, -0.0012298800000000 ] - [ -0.0002350500000000, -0.0017901600000000, 0.0015849100000000 ] - [ -0.0006784500000000, -0.0013100600000000, -0.0047528900000000 ] - [ 0.0223618700000000, 0.0311919900000000, -0.0121093200000000 ] - [ -0.0029322000000000, 0.0016217600000000, 0.0003040100000000 ] - [ -0.0018602300000000, 0.0011244300000000, 0.0029893000000000 ] - [ -0.0015263000000000, -0.0014143000000000, -0.0011442500000000 ] - [ 0.0016901400000000, 0.0000947200000000, -0.0001248800000000 ] - [ 0.0003882700000000, -0.0000717800000000, 0.0001197800000000 ] - [ -0.0002724400000000, 0.0003075100000000, -0.0000471100000000 ] - [ -0.0003250800000000, 0.0003040000000000, -0.0004120400000000 ] - [ 0.0008181600000000, -0.0000255900000000, 0.0000817400000000 ] - [ 0.0011512600000000, 0.0003446000000000, -0.0003960200000000 ] - [ -0.0007925000000000, 0.0007802300000000, -0.0004383200000000 ] - [ -0.0004246300000000, 0.0001092200000000, 0.0001497900000000 ] - [ 0.0003894100000000, 0.0001991900000000, 0.0005006300000000 ] - [ 0.0000313300000000, 0.0001283800000000, 0.0003289800000000 ] - [ -0.0005993300000000, -0.0003814500000000, -0.0000112400000000 ] - [ 0.0014552800000000, -0.0002696500000000, -0.0000745900000000 ] - [ 0.0002115400000000, -0.0000606000000000, 0.0005500700000000 ] - [ 0.0014802200000000, 0.0009642100000000, 0.0003832600000000 ] - [ -0.0901814700000000, 0.0035313300000000, -0.0616608100000000 ] - [ 0.0012770900000000, -0.0004250500000000, 0.0007154200000000 ] - [ -0.0002225700000000, 0.0006668500000000, -0.0013718100000000 ] - [ -0.0000016100000000, -0.0002990200000000, 0.0027066800000000 ] - [ 0.0001333600000000, -0.0002567700000000, 0.0001248300000000 ] - [ 0.0000561600000000, 0.0004972400000000, 0.0008555700000000 ] - [ -0.0004697600000000, -0.0003705500000000, -0.0004594400000000 ] - [ -0.0002201200000000, -0.0001725400000000, -0.0003177000000000 ] - [ 0.0118194800000000, 0.0089910500000000, 0.0114567000000000 ] - [ 0.0044794400000000, -0.0007804500000000, -0.0024377100000000 ] - [ -0.0017869400000000, -0.0004621300000000, -0.0074731000000000 ] - [ 0.0026646000000000, -0.0011732800000000, 0.0002415800000000 ] - [ -0.0002050200000000, 0.0001409300000000, -0.0005182400000000 ] - [ -0.0002312800000000, 0.0006687800000000, -0.0003812400000000 ] - [ 0.0001554500000000, 0.0000022900000000, 0.0001024800000000 ] - [ 0.0003753600000000, 0.0002473900000000, 0.0002175900000000 ] - [ 0.0035812400000000, -0.0081004900000000, 0.0050304600000000 ] - [ 0.0029322500000000, 0.0017577100000000, -0.0009150200000000 ] - [ -0.0010734000000000, -0.0001573600000000, -0.0001465700000000 ] - [ -0.0001884400000000, 0.0004389300000000, 0.0007561800000000 ] - [ 0.0002912100000000, 0.0000827300000000, -0.0005343100000000 ] - [ 0.0000503300000000, 0.0002027100000000, -0.0000582700000000 ] - [ -0.0007444100000000, -0.0002191600000000, 0.0004080800000000 ] - [ -0.0006033200000000, -0.0005807400000000, 0.0007545700000000 ] - [ -0.0005730800000000, -0.0083614900000000, -0.0025513700000000 ] - [ 0.0020527100000000, 0.0003552200000000, -0.0014957200000000 ] - [ 0.0025929100000000, -0.0010317400000000, 0.0053764400000000 ] - [ 0.0006856700000000, -0.0000302900000000, -0.0003227700000000 ] - [ 0.0002768100000000, 0.0000201600000000, -0.0005003400000000 ] - [ -0.0001880500000000, 0.0000221900000000, 0.0002707200000000 ] - [ 0.0008901900000000, -0.0000400300000000, 0.0004146900000000 ] - [ 0.0000323100000000, 0.0008993000000000, 0.0004643300000000 ] - [ 0.0001083800000000, -0.0008191400000000, 0.0005850300000000 ] - [ -0.0011881400000000, -0.0003951000000000, 0.0007059800000000 ] - [ 0.0001786300000000, -0.0000343800000000, -0.0004955800000000 ] - [ 0.0005151700000000, -0.0003740600000000, -0.0005101100000000 ] - [ -0.0006129100000000, 0.0003984900000000, 0.0008368900000000 ] - [ -0.0010918400000000, 0.0008089900000000, -0.0027509200000000 ] - [ 0.0003883500000000, 0.0001325900000000, -0.0008073200000000 ] - [ 0.0013280000000000, -0.0101099200000000, 0.0092863800000000 ] - [ -0.0026111900000000, 0.0035493600000000, -0.0016273100000000 ] - [ 0.0008324900000000, 0.0004414400000000, -0.0000821900000000 ] - [ 0.0004779600000000, 0.0014668300000000, 0.0010424600000000 ] - [ 0.0011657900000000, -0.0012233200000000, -0.0005994400000000 ] - [ 0.0000356300000000, -0.0002275800000000, -0.0011796400000000 ] - [ -0.0001246100000000, 0.0001209600000000, 0.0007844800000000 ] - [ 0.0008352500000000, 0.0001285000000000, 0.0000233000000000 ] - [ -0.0003761200000000, 0.0025812000000000, -0.0005694700000000 ]- atom: 33 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ -0.0583049500000000, 0.0238290700000000, -0.0584098700000000 ] - [ 0.0053127500000000, 0.0010071300000000, -0.0029836400000000 ] - [ 0.0030945400000000, -0.0025018100000000, -0.0072067800000000 ] - [ 0.0050879100000000, 0.0047574500000000, 0.0060353800000000 ] - [ -0.0003976300000000, -0.0003952300000000, -0.0012673600000000 ] - [ -0.0005653800000000, 0.0012499500000000, 0.0002723800000000 ] - [ 0.0011726700000000, -0.0002445500000000, 0.0006641900000000 ] - [ 0.0003473800000000, -0.0008332700000000, 0.0008872000000000 ] - [ -0.0018946900000000, -0.0000134600000000, -0.0006726100000000 ] - [ 0.0024801200000000, 0.0010443100000000, -0.0005194700000000 ] - [ -0.0004785100000000, -0.0014010000000000, -0.0010534100000000 ] - [ -0.0006396600000000, 0.0006772100000000, 0.0003880600000000 ] - [ 0.0018931000000000, 0.0003261800000000, -0.0027642400000000 ] - [ 0.0023469000000000, -0.0001952600000000, 0.0035849600000000 ] - [ -0.0231865500000000, -0.0306492700000000, 0.0112863100000000 ] - [ 0.0016610800000000, -0.0011875200000000, -0.0011859200000000 ] - [ 0.0012848000000000, -0.0017119700000000, -0.0037045500000000 ] - [ 0.0009568100000000, 0.0008255200000000, 0.0004664500000000 ] - [ -0.0000534100000000, -0.0001442900000000, 0.0000776700000000 ] - [ 0.0012663000000000, 0.0000247100000000, -0.0001682500000000 ] - [ -0.0002984000000000, 0.0002794700000000, -0.0006211600000000 ] - [ -0.0002449100000000, 0.0002823900000000, -0.0002662900000000 ] - [ 0.0008173900000000, 0.0000788700000000, -0.0001264500000000 ] - [ 0.0005192000000000, -0.0002969000000000, 0.0003383500000000 ] - [ -0.0000730100000000, -0.0000756700000000, 0.0005777600000000 ] - [ -0.0004488500000000, 0.0005967800000000, -0.0000145700000000 ] - [ -0.0000807200000000, -0.0000269000000000, 0.0002731000000000 ] - [ 0.0002815900000000, 0.0000442800000000, 0.0004491100000000 ] - [ -0.0002695300000000, -0.0003284400000000, 0.0001464500000000 ] - [ -0.0023190000000000, -0.0004265300000000, 0.0002296500000000 ] - [ 0.0000954200000000, -0.0001108600000000, 0.0002287600000000 ] - [ -0.0011414500000000, -0.0011430600000000, 0.0004178500000000 ] - [ 0.0904632700000000, -0.0046681600000000, 0.0645685100000000 ] - [ -0.0011005700000000, 0.0002434600000000, 0.0001742700000000 ] - [ -0.0005285800000000, -0.0003023900000000, 0.0007038200000000 ] - [ -0.0007507600000000, 0.0006707500000000, -0.0034036600000000 ] - [ 0.0000511900000000, 0.0004420600000000, 0.0007617900000000 ] - [ 0.0001247600000000, -0.0003184800000000, 0.0000254100000000 ] - [ -0.0002809900000000, 0.0000329300000000, -0.0001841200000000 ] - [ -0.0005323400000000, -0.0001886900000000, -0.0003426700000000 ] - [ -0.0124849500000000, -0.0096338600000000, -0.0125771100000000 ] - [ -0.0048165100000000, 0.0003298700000000, 0.0015371200000000 ] - [ 0.0023463900000000, 0.0001160900000000, 0.0078142800000000 ] - [ -0.0021590500000000, 0.0008947300000000, 0.0000742700000000 ] - [ -0.0001671900000000, 0.0002805100000000, -0.0003559300000000 ] - [ -0.0001521900000000, -0.0002269500000000, -0.0004994900000000 ] - [ 0.0003826100000000, 0.0003059600000000, 0.0002163500000000 ] - [ 0.0001573600000000, 0.0000547800000000, 0.0001014800000000 ] - [ -0.0034414200000000, 0.0082569700000000, -0.0054817300000000 ] - [ -0.0026432300000000, -0.0017920000000000, 0.0004956100000000 ] - [ -0.0003011600000000, 0.0007802300000000, 0.0011737100000000 ] - [ -0.0011998700000000, 0.0001758800000000, 0.0002612500000000 ] - [ -0.0000103600000000, -0.0000337000000000, 0.0001113500000000 ] - [ 0.0002248800000000, -0.0001486000000000, -0.0003583800000000 ] - [ -0.0006198000000000, -0.0003748000000000, 0.0006071000000000 ] - [ -0.0007948100000000, -0.0000357000000000, 0.0002677600000000 ] - [ 0.0006629900000000, 0.0082376500000000, 0.0022646600000000 ] - [ -0.0019441000000000, -0.0004893700000000, 0.0012264300000000 ] - [ -0.0017405200000000, 0.0006249300000000, -0.0041044300000000 ] - [ 0.0001479700000000, -0.0003736000000000, 0.0015694200000000 ] - [ -0.0001338500000000, 0.0001095800000000, 0.0001908800000000 ] - [ 0.0003221700000000, 0.0001021600000000, -0.0005731800000000 ] - [ -0.0000499600000000, 0.0004459200000000, 0.0008458600000000 ] - [ 0.0008097100000000, -0.0004955600000000, 0.0007982900000000 ] - [ -0.0012919000000000, -0.0001334200000000, 0.0004335000000000 ] - [ 0.0000187600000000, -0.0005497400000000, 0.0003138700000000 ] - [ 0.0004921300000000, -0.0003089500000000, -0.0005937100000000 ] - [ 0.0001496300000000, 0.0000361200000000, -0.0005825000000000 ] - [ -0.0005621100000000, 0.0005610800000000, 0.0001799300000000 ] - [ -0.0000550800000000, 0.0001387800000000, 0.0037648600000000 ] - [ 0.0002953500000000, 0.0002049900000000, -0.0002768800000000 ] - [ -0.0005828700000000, 0.0103509500000000, -0.0102401800000000 ] - [ 0.0022563600000000, -0.0029332800000000, 0.0017227300000000 ] - [ -0.0012307100000000, 0.0000724600000000, 0.0002222500000000 ] - [ 0.0008468700000000, -0.0019480100000000, -0.0007956900000000 ] - [ 0.0001461400000000, 0.0007794700000000, 0.0008639500000000 ] - [ -0.0004278300000000, -0.0002858100000000, 0.0013283700000000 ] - [ -0.0002689400000000, -0.0006219600000000, -0.0006463600000000 ] - [ 0.0004894000000000, 0.0003111000000000, 0.0002376000000000 ] - [ 0.0016623800000000, -0.0020336800000000, 0.0008002700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0108425900000000, 0.0364392400000000, -0.0089909800000000 ] - [ -0.0014356900000000, 0.0050187800000000, 0.0005810800000000 ] - [ 0.0043546500000000, 0.0096560300000000, -0.0118364800000000 ] - [ 0.0015085000000000, 0.0018338800000000, 0.0014457800000000 ] - [ -0.0017851900000000, -0.0039317400000000, -0.0005460300000000 ] - [ -0.0012174100000000, -0.0041618000000000, -0.0039871500000000 ] - [ -0.0053305800000000, -0.0156169100000000, 0.0008859500000000 ] - [ 0.0016142100000000, -0.0045540100000000, 0.0012879100000000 ] - [ -0.0007206900000000, -0.0173270300000000, -0.0075162300000000 ] - [ 0.0017457900000000, -0.0023186400000000, -0.0008230400000000 ] - [ -0.0014487500000000, -0.0054193500000000, 0.0006685200000000 ] - [ -0.0001493700000000, -0.0026735800000000, 0.0008091300000000 ] - [ -0.0002011000000000, 0.0026083500000000, -0.0004349200000000 ] - [ 0.0024491800000000, 0.0052362700000000, 0.0018831700000000 ] - [ 0.0230738600000000, 0.0582569800000000, -0.0188342000000000 ] - [ -0.0002228500000000, 0.0023612600000000, -0.0011925800000000 ] - [ 0.0026105100000000, -0.0014616600000000, -0.0055620000000000 ] - [ -0.0014029800000000, -0.0005507500000000, -0.0007928500000000 ] - [ 0.0002267200000000, -0.0000500900000000, -0.0003548800000000 ] - [ 0.0012044800000000, 0.0000991000000000, -0.0000942400000000 ] - [ -0.0005883700000000, -0.0001329300000000, 0.0037500100000000 ] - [ -0.0002404400000000, 0.0001607400000000, -0.0000878000000000 ] - [ -0.0007447100000000, 0.0005511700000000, 0.0005743900000000 ] - [ 0.0044326200000000, -0.0005523200000000, -0.0015861000000000 ] - [ 0.0002935100000000, -0.0004859300000000, 0.0009268800000000 ] - [ -0.0019983000000000, -0.0004779500000000, 0.0001141100000000 ] - [ -0.0000976700000000, -0.0005220600000000, 0.0000443000000000 ] - [ 0.0002982800000000, -0.0001932500000000, 0.0004225700000000 ] - [ -0.0004625000000000, -0.0000833900000000, 0.0000766300000000 ] - [ 0.0001345900000000, 0.0001022100000000, -0.0036289600000000 ] - [ -0.0004033200000000, 0.0001341400000000, 0.0008516900000000 ] - [ -0.0001080300000000, -0.0010449100000000, 0.0011080500000000 ] - [ 0.0044242800000000, -0.1383398900000000, 0.0634772800000000 ] - [ -0.0002409700000000, -0.0020097200000000, 0.0008698900000000 ] - [ 0.0003404400000000, -0.0015198100000000, -0.0000506200000000 ] - [ -0.0008129300000000, -0.0014677400000000, -0.0006382200000000 ] - [ 0.0004380500000000, 0.0020059800000000, 0.0009838100000000 ] - [ -0.0003147300000000, 0.0010964800000000, 0.0003639000000000 ] - [ -0.0001312000000000, 0.0073157300000000, 0.0042119800000000 ] - [ -0.0005144300000000, 0.0014996200000000, 0.0003221800000000 ] - [ 0.0039350800000000, -0.0022437700000000, 0.0027400000000000 ] - [ -0.0022728900000000, -0.0032211000000000, 0.0002505100000000 ] - [ 0.0037629800000000, -0.0085250000000000, -0.0001361100000000 ] - [ 0.0009019700000000, -0.0016128300000000, 0.0003072900000000 ] - [ -0.0004758200000000, 0.0014408900000000, -0.0004357600000000 ] - [ -0.0018100500000000, 0.0048023500000000, -0.0007914300000000 ] - [ 0.0009804900000000, 0.0027278300000000, 0.0004307600000000 ] - [ 0.0008741500000000, 0.0018062200000000, 0.0003602900000000 ] - [ -0.0131018900000000, 0.0105763700000000, -0.0055123700000000 ] - [ 0.0025629800000000, 0.0000053100000000, -0.0008190200000000 ] - [ -0.0005414000000000, -0.0001858300000000, 0.0022391600000000 ] - [ -0.0013513600000000, 0.0000998100000000, 0.0000470500000000 ] - [ 0.0009779200000000, 0.0004376600000000, -0.0027141400000000 ] - [ 0.0001565800000000, 0.0004006300000000, 0.0001735800000000 ] - [ 0.0017529800000000, 0.0045098400000000, -0.0002349600000000 ] - [ -0.0037422400000000, 0.0008405200000000, 0.0008629900000000 ] - [ -0.0051327600000000, 0.0116179300000000, 0.0094632700000000 ] - [ -0.0000676400000000, -0.0004214100000000, -0.0001209100000000 ] - [ -0.0030485100000000, -0.0010125400000000, -0.0056971000000000 ] - [ 0.0008448500000000, -0.0011309900000000, 0.0000970800000000 ] - [ 0.0018931100000000, 0.0015125700000000, -0.0028480000000000 ] - [ -0.0000307700000000, 0.0008381500000000, -0.0011307600000000 ] - [ -0.0001948600000000, 0.0012183300000000, 0.0007950100000000 ] - [ 0.0025117800000000, 0.0035980000000000, 0.0040294800000000 ] - [ -0.0012924300000000, 0.0007118700000000, -0.0000390400000000 ] - [ 0.0015835600000000, 0.0027903200000000, 0.0005312200000000 ] - [ -0.0001672600000000, 0.0010090300000000, -0.0012711800000000 ] - [ -0.0000706100000000, 0.0008233100000000, -0.0011391600000000 ] - [ -0.0003470300000000, -0.0005362800000000, -0.0001126400000000 ] - [ 0.0001125200000000, -0.0028345000000000, 0.0011092000000000 ] - [ 0.0017340400000000, -0.0007979800000000, -0.0008585600000000 ] - [ -0.0029826200000000, 0.0037881200000000, -0.0072588400000000 ] - [ -0.0019065500000000, 0.0157762400000000, -0.0112313200000000 ] - [ -0.0009455000000000, 0.0000649500000000, -0.0003922900000000 ] - [ 0.0008154100000000, -0.0001293700000000, 0.0004227400000000 ] - [ -0.0003883600000000, 0.0007304800000000, 0.0016931500000000 ] - [ -0.0005047400000000, 0.0000342800000000, 0.0022635300000000 ] - [ 0.0001470300000000, -0.0006604800000000, 0.0010102700000000 ] - [ 0.0012344200000000, 0.0004615500000000, -0.0001108000000000 ] - [ -0.0041414500000000, 0.0212090400000000, -0.0046740900000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0093469500000000, -0.0367487200000000, 0.0073581700000000 ] - [ 0.0002982400000000, -0.0053707100000000, -0.0015258100000000 ] - [ -0.0040088000000000, -0.0084353500000000, 0.0132437400000000 ] - [ -0.0012345900000000, -0.0004426400000000, -0.0002933200000000 ] - [ 0.0006455700000000, 0.0043103000000000, -0.0004033500000000 ] - [ 0.0000645600000000, 0.0045394400000000, 0.0030334100000000 ] - [ 0.0056950400000000, 0.0142210100000000, 0.0003615200000000 ] - [ -0.0012822200000000, 0.0031119700000000, -0.0000467200000000 ] - [ 0.0024025400000000, 0.0188322600000000, 0.0063392500000000 ] - [ -0.0000805600000000, 0.0038221400000000, -0.0003530300000000 ] - [ 0.0001794100000000, 0.0050144300000000, -0.0015248300000000 ] - [ -0.0011231200000000, 0.0022319700000000, -0.0016841700000000 ] - [ 0.0019008900000000, -0.0040660300000000, -0.0007787900000000 ] - [ -0.0008069500000000, -0.0067577900000000, -0.0031077800000000 ] - [ -0.0252252400000000, -0.0617140900000000, 0.0199735700000000 ] - [ -0.0010752300000000, -0.0019400000000000, 0.0003621500000000 ] - [ -0.0031897300000000, 0.0008947600000000, 0.0048977000000000 ] - [ 0.0008375500000000, -0.0000319800000000, 0.0001144400000000 ] - [ 0.0014301400000000, -0.0000009100000000, 0.0003092200000000 ] - [ 0.0004345100000000, -0.0001515800000000, 0.0000477800000000 ] - [ 0.0000185000000000, 0.0007256500000000, -0.0044169900000000 ] - [ -0.0003293000000000, 0.0004267700000000, -0.0005952900000000 ] - [ 0.0023978200000000, -0.0005043500000000, -0.0006231600000000 ] - [ -0.0027992600000000, 0.0006065200000000, 0.0015397700000000 ] - [ -0.0011629300000000, 0.0011971500000000, -0.0007943400000000 ] - [ 0.0011280500000000, 0.0011850800000000, 0.0000187200000000 ] - [ 0.0004143200000000, 0.0006984100000000, 0.0007377600000000 ] - [ 0.0000112000000000, 0.0003668600000000, 0.0003544700000000 ] - [ -0.0004058700000000, -0.0006254100000000, 0.0000596000000000 ] - [ -0.0010090400000000, -0.0007831500000000, 0.0037814100000000 ] - [ 0.0007217800000000, -0.0003111500000000, -0.0000791800000000 ] - [ 0.0004685400000000, 0.0008865500000000, -0.0003274000000000 ] - [ -0.0031973900000000, 0.1423745500000000, -0.0641310200000000 ] - [ 0.0004313000000000, 0.0018345600000000, 0.0000136000000000 ] - [ -0.0011081500000000, 0.0019034000000000, -0.0006107900000000 ] - [ 0.0000719300000000, 0.0018391200000000, 0.0000091700000000 ] - [ -0.0002560100000000, -0.0018370400000000, -0.0001031200000000 ] - [ 0.0005003000000000, -0.0009170900000000, 0.0005274100000000 ] - [ -0.0006219200000000, -0.0077072500000000, -0.0048970800000000 ] - [ -0.0002347600000000, -0.0018728300000000, -0.0009903500000000 ] - [ -0.0042576100000000, 0.0019048500000000, -0.0035365300000000 ] - [ 0.0019000400000000, 0.0028351600000000, -0.0011319100000000 ] - [ -0.0032800300000000, 0.0082924400000000, 0.0006098000000000 ] - [ -0.0003606300000000, 0.0013135800000000, 0.0000154700000000 ] - [ 0.0001015600000000, -0.0010238200000000, -0.0004401800000000 ] - [ 0.0014513900000000, -0.0044041600000000, -0.0000724700000000 ] - [ -0.0004564100000000, -0.0024455600000000, -0.0001124900000000 ] - [ -0.0003376900000000, -0.0015128100000000, -0.0000409700000000 ] - [ 0.0131741500000000, -0.0105731300000000, 0.0050787200000000 ] - [ -0.0022842400000000, -0.0000564700000000, 0.0004024100000000 ] - [ -0.0008465500000000, 0.0008206400000000, -0.0012460500000000 ] - [ -0.0000173500000000, 0.0005257400000000, 0.0009805100000000 ] - [ -0.0007002800000000, -0.0003950900000000, 0.0022897000000000 ] - [ 0.0001191300000000, -0.0003557000000000, -0.0005864500000000 ] - [ -0.0031582800000000, -0.0051517800000000, 0.0012467800000000 ] - [ 0.0023814300000000, -0.0014663500000000, 0.0001570600000000 ] - [ 0.0053829400000000, -0.0120794300000000, -0.0099564100000000 ] - [ 0.0002273600000000, 0.0003086400000000, -0.0001892300000000 ] - [ 0.0039302300000000, 0.0005944700000000, 0.0070229300000000 ] - [ -0.0000104900000000, 0.0007260500000000, 0.0011563000000000 ] - [ -0.0017706900000000, -0.0013934500000000, 0.0025656400000000 ] - [ 0.0001628500000000, -0.0007166300000000, 0.0008453400000000 ] - [ 0.0010376600000000, -0.0008212000000000, 0.0004595500000000 ] - [ -0.0016641000000000, -0.0031819700000000, -0.0027613600000000 ] - [ 0.0001146000000000, -0.0016731400000000, 0.0010593700000000 ] - [ -0.0027603500000000, -0.0037481800000000, 0.0004906800000000 ] - [ 0.0008328800000000, -0.0013493500000000, 0.0001812900000000 ] - [ 0.0007436100000000, -0.0011697200000000, 0.0000529700000000 ] - [ -0.0008256900000000, 0.0014961000000000, 0.0011366500000000 ] - [ -0.0013010400000000, 0.0038027400000000, -0.0001185700000000 ] - [ -0.0010699900000000, 0.0011483400000000, -0.0002295700000000 ] - [ 0.0037753800000000, -0.0035883200000000, 0.0063993600000000 ] - [ 0.0015358500000000, -0.0150662600000000, 0.0111829800000000 ] - [ 0.0005532800000000, 0.0004378000000000, 0.0005303800000000 ] - [ 0.0005032700000000, -0.0002876100000000, -0.0001524200000000 ] - [ 0.0017292500000000, -0.0011772600000000, -0.0014571500000000 ] - [ 0.0001121200000000, -0.0005606800000000, -0.0021281600000000 ] - [ -0.0005395800000000, 0.0001441000000000, -0.0008740300000000 ] - [ 0.0000868500000000, -0.0000104400000000, 0.0003684500000000 ] - [ 0.0055370700000000, -0.0209469700000000, 0.0050052000000000 ]- atom: 33 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ 0.0115636500000000, -0.0139594100000000, 0.0560761200000000 ] - [ 0.0023264800000000, 0.0013755300000000, -0.0017795300000000 ] - [ 0.0084141100000000, -0.0134388500000000, 0.0008734300000000 ] - [ -0.0016421400000000, -0.0020565200000000, -0.0025319900000000 ] - [ 0.0006622000000000, 0.0012477800000000, -0.0011976100000000 ] - [ -0.0017121200000000, 0.0019783400000000, 0.0004304600000000 ] - [ 0.0042017000000000, 0.0083671200000000, 0.0003564400000000 ] - [ -0.0007953200000000, 0.0003235000000000, 0.0002023400000000 ] - [ 0.0005122900000000, 0.0087879000000000, 0.0055232500000000 ] - [ 0.0011909700000000, 0.0021052800000000, -0.0001815600000000 ] - [ 0.0004276400000000, 0.0004854800000000, -0.0021884400000000 ] - [ -0.0011713200000000, -0.0001982500000000, -0.0015718300000000 ] - [ 0.0098971300000000, 0.0002220800000000, -0.0081716300000000 ] - [ -0.0021072600000000, -0.0028302800000000, -0.0042070900000000 ] - [ -0.0215774300000000, -0.0165113700000000, 0.0241833800000000 ] - [ -0.0003470300000000, -0.0011675500000000, 0.0016190800000000 ] - [ 0.0011894200000000, -0.0016607700000000, -0.0000379500000000 ] - [ -0.0001055100000000, -0.0000774800000000, 0.0003494300000000 ] - [ 0.0002190800000000, -0.0003856200000000, 0.0001049000000000 ] - [ 0.0009546200000000, -0.0001160500000000, -0.0001750900000000 ] - [ -0.0001241500000000, 0.0006037200000000, -0.0027305200000000 ] - [ -0.0002349600000000, 0.0004417800000000, -0.0006143900000000 ] - [ 0.0021436400000000, -0.0004734800000000, -0.0005296600000000 ] - [ -0.0015696200000000, 0.0002276600000000, 0.0014829200000000 ] - [ -0.0005567400000000, 0.0004751700000000, 0.0000145300000000 ] - [ 0.0005166200000000, 0.0009160200000000, -0.0000088800000000 ] - [ 0.0001088000000000, 0.0000734800000000, 0.0006820300000000 ] - [ 0.0001599500000000, 0.0000607300000000, 0.0004433300000000 ] - [ -0.0003913300000000, -0.0003643000000000, 0.0000963900000000 ] - [ -0.0004752100000000, -0.0031491800000000, -0.0030382700000000 ] - [ 0.0005607900000000, -0.0003176600000000, -0.0002377500000000 ] - [ 0.0010151400000000, 0.0000735000000000, -0.0004274100000000 ] - [ -0.0075434700000000, 0.0529936000000000, -0.1141145700000000 ] - [ -0.0002725100000000, 0.0004493300000000, -0.0002431500000000 ] - [ -0.0029347200000000, -0.0001341400000000, 0.0024548100000000 ] - [ 0.0003487900000000, 0.0007600400000000, 0.0006644100000000 ] - [ -0.0002048200000000, -0.0002010800000000, 0.0007492000000000 ] - [ 0.0004653700000000, -0.0000439700000000, 0.0007853700000000 ] - [ -0.0005049400000000, -0.0040670500000000, -0.0032962100000000 ] - [ -0.0003716200000000, -0.0008055400000000, -0.0006706200000000 ] - [ 0.0033561200000000, 0.0014037900000000, -0.0001986500000000 ] - [ -0.0040514400000000, 0.0010491300000000, -0.0001873600000000 ] - [ -0.0031989000000000, 0.0047340300000000, 0.0199227300000000 ] - [ 0.0001067300000000, -0.0000702600000000, 0.0007764300000000 ] - [ -0.0001014100000000, -0.0001594700000000, -0.0003193400000000 ] - [ 0.0008246400000000, -0.0024406900000000, 0.0000820500000000 ] - [ -0.0001411000000000, -0.0011510400000000, 0.0000791400000000 ] - [ 0.0003545100000000, -0.0002869700000000, 0.0000615200000000 ] - [ -0.0002865500000000, 0.0026463600000000, -0.0047174200000000 ] - [ -0.0015690600000000, -0.0010343900000000, -0.0001834600000000 ] - [ -0.0009306100000000, 0.0022239200000000, 0.0004595700000000 ] - [ -0.0004047700000000, 0.0006064300000000, 0.0010950900000000 ] - [ -0.0007279600000000, -0.0000063200000000, 0.0015522600000000 ] - [ 0.0003289900000000, -0.0001811500000000, -0.0001111900000000 ] - [ -0.0027100700000000, -0.0038100200000000, 0.0011411700000000 ] - [ 0.0010827200000000, -0.0006757100000000, -0.0000210000000000 ] - [ 0.0035346000000000, 0.0084084700000000, -0.0082492300000000 ] - [ 0.0007358400000000, 0.0006237000000000, -0.0007214200000000 ] - [ 0.0041705200000000, -0.0012381600000000, 0.0057994500000000 ] - [ -0.0000094700000000, -0.0001095800000000, 0.0031326100000000 ] - [ -0.0014864700000000, -0.0006377300000000, 0.0021745400000000 ] - [ 0.0003181600000000, -0.0001493600000000, 0.0004156900000000 ] - [ 0.0002841200000000, -0.0000868300000000, 0.0004361400000000 ] - [ -0.0001757800000000, 0.0001003000000000, -0.0011070400000000 ] - [ -0.0005994900000000, -0.0007279300000000, 0.0006090700000000 ] - [ -0.0012541100000000, -0.0022848900000000, 0.0000430200000000 ] - [ 0.0006161900000000, -0.0003695200000000, -0.0003466100000000 ] - [ 0.0003210900000000, -0.0003225700000000, -0.0003021100000000 ] - [ -0.0003082300000000, 0.0006971900000000, 0.0009979000000000 ] - [ -0.0097173900000000, 0.0008686600000000, 0.0146784700000000 ] - [ -0.0009292300000000, 0.0006704000000000, -0.0003567200000000 ] - [ 0.0032322700000000, -0.0043579400000000, 0.0050171000000000 ] - [ 0.0024739800000000, -0.0095526800000000, 0.0039484000000000 ] - [ -0.0002955800000000, -0.0001331900000000, 0.0002746500000000 ] - [ 0.0010528300000000, 0.0003122400000000, 0.0001292700000000 ] - [ 0.0005332400000000, 0.0004320200000000, 0.0000663400000000 ] - [ -0.0012840100000000, -0.0002567500000000, 0.0005532300000000 ] - [ 0.0000042400000000, -0.0003564800000000, -0.0001780300000000 ] - [ 0.0001336400000000, 0.0005712300000000, 0.0002942100000000 ] - [ 0.0044810300000000, -0.0149577200000000, 0.0041218800000000 ]- atom: 33 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ -0.0138964500000000, 0.0143329300000000, -0.0582244100000000 ] - [ -0.0035001600000000, -0.0017264800000000, 0.0008091700000000 ] - [ -0.0080902700000000, 0.0149880600000000, 0.0002788500000000 ] - [ 0.0019575800000000, 0.0034834200000000, 0.0037356400000000 ] - [ -0.0018009300000000, -0.0009100700000000, 0.0002560500000000 ] - [ 0.0005701200000000, -0.0016334400000000, -0.0013777200000000 ] - [ -0.0038807600000000, -0.0098458600000000, 0.0008998200000000 ] - [ 0.0011457100000000, -0.0017792400000000, 0.0010486700000000 ] - [ 0.0011751700000000, -0.0073231800000000, -0.0067402600000000 ] - [ 0.0004721600000000, -0.0006232700000000, -0.0009989300000000 ] - [ -0.0017023000000000, -0.0009169600000000, 0.0013313200000000 ] - [ -0.0000995700000000, -0.0002398300000000, 0.0007086100000000 ] - [ -0.0082196700000000, -0.0017440200000000, 0.0070193900000000 ] - [ 0.0037711400000000, 0.0013406400000000, 0.0030162800000000 ] - [ 0.0203402200000000, 0.0162031900000000, -0.0248548500000000 ] - [ -0.0009294200000000, 0.0016084100000000, -0.0024647500000000 ] - [ -0.0017793100000000, 0.0010777600000000, -0.0006159500000000 ] - [ -0.0004602400000000, -0.0005053100000000, -0.0010277000000000 ] - [ 0.0014361600000000, 0.0003387400000000, -0.0001586800000000 ] - [ 0.0006911100000000, 0.0000678900000000, 0.0001266800000000 ] - [ -0.0004456100000000, -0.0000153900000000, 0.0020615800000000 ] - [ -0.0003362100000000, 0.0001448500000000, -0.0000663200000000 ] - [ -0.0005002000000000, 0.0005224500000000, 0.0004840900000000 ] - [ 0.0032283200000000, -0.0001789900000000, -0.0015348900000000 ] - [ -0.0003141800000000, 0.0002362500000000, 0.0001172600000000 ] - [ -0.0013909200000000, -0.0002120000000000, 0.0001434800000000 ] - [ 0.0002023000000000, 0.0000980100000000, 0.0000952500000000 ] - [ 0.0001509700000000, 0.0001118600000000, 0.0003335500000000 ] - [ -0.0004761500000000, -0.0003451900000000, 0.0000410600000000 ] - [ -0.0004100700000000, 0.0024234800000000, 0.0031936400000000 ] - [ -0.0002496500000000, 0.0001462900000000, 0.0010204400000000 ] - [ -0.0006673500000000, -0.0002498100000000, 0.0012096600000000 ] - [ 0.0087938600000000, -0.0531378700000000, 0.1159497800000000 ] - [ 0.0004594000000000, -0.0006294400000000, 0.0011297300000000 ] - [ 0.0021924900000000, 0.0004851300000000, -0.0031194900000000 ] - [ -0.0011030800000000, -0.0003993100000000, -0.0013120600000000 ] - [ 0.0003886000000000, 0.0003842500000000, 0.0001369900000000 ] - [ -0.0002822400000000, 0.0002276700000000, 0.0001034900000000 ] - [ -0.0002434600000000, 0.0037111200000000, 0.0026346100000000 ] - [ -0.0003803500000000, 0.0004406500000000, 0.0000075100000000 ] - [ -0.0036717400000000, -0.0017969900000000, -0.0005860000000000 ] - [ 0.0037189700000000, -0.0014792400000000, -0.0006770400000000 ] - [ 0.0037949700000000, -0.0051566800000000, -0.0200825800000000 ] - [ 0.0004421700000000, -0.0002366000000000, -0.0004513400000000 ] - [ -0.0002748500000000, 0.0005823200000000, -0.0005574200000000 ] - [ -0.0011941600000000, 0.0028612000000000, -0.0009568100000000 ] - [ 0.0006758100000000, 0.0014538500000000, 0.0002380500000000 ] - [ 0.0001781200000000, 0.0005855500000000, 0.0002574400000000 ] - [ 0.0005766800000000, -0.0027198300000000, 0.0043544000000000 ] - [ 0.0018500800000000, 0.0009888800000000, -0.0002233300000000 ] - [ -0.0004585600000000, -0.0016266700000000, 0.0005627600000000 ] - [ -0.0009729200000000, 0.0000124200000000, -0.0000728200000000 ] - [ 0.0010039300000000, 0.0000607200000000, -0.0019767800000000 ] - [ -0.0000501100000000, 0.0002331600000000, -0.0003044900000000 ] - [ 0.0013291200000000, 0.0031956400000000, -0.0001242200000000 ] - [ -0.0024715200000000, 0.0000572500000000, 0.0010422500000000 ] - [ -0.0033970600000000, -0.0084818900000000, 0.0079772100000000 ] - [ -0.0005898200000000, -0.0007458600000000, 0.0004179200000000 ] - [ -0.0033082600000000, 0.0008272900000000, -0.0045015100000000 ] - [ 0.0008609600000000, -0.0002847700000000, -0.0018453200000000 ] - [ 0.0016214100000000, 0.0007636800000000, -0.0024732600000000 ] - [ -0.0001875300000000, 0.0002730500000000, -0.0007102000000000 ] - [ 0.0005561000000000, 0.0004887500000000, 0.0008129100000000 ] - [ 0.0010150600000000, 0.0002971100000000, 0.0023618700000000 ] - [ -0.0005765200000000, -0.0002313800000000, 0.0004111900000000 ] - [ 0.0000765100000000, 0.0013391200000000, 0.0009819600000000 ] - [ 0.0000516500000000, 0.0000299700000000, -0.0007416900000000 ] - [ 0.0003496800000000, -0.0000193600000000, -0.0007862100000000 ] - [ -0.0008750300000000, 0.0002596700000000, 0.0000180400000000 ] - [ 0.0084068300000000, 0.0000820400000000, -0.0133305000000000 ] - [ 0.0016002000000000, -0.0003347400000000, -0.0007404600000000 ] - [ -0.0025015300000000, 0.0046108200000000, -0.0060375700000000 ] - [ -0.0028771700000000, 0.0102510700000000, -0.0038820700000000 ] - [ -0.0000912300000000, 0.0006453600000000, -0.0001300800000000 ] - [ 0.0002660300000000, -0.0007486100000000, 0.0001373600000000 ] - [ 0.0007911400000000, -0.0008873300000000, 0.0001972800000000 ] - [ 0.0008870200000000, -0.0002332300000000, -0.0004251400000000 ] - [ -0.0003987300000000, -0.0001504500000000, 0.0003167100000000 ] - [ 0.0011864600000000, -0.0001271700000000, -0.0000374500000000 ] - [ -0.0031589200000000, 0.0154045500000000, -0.0038296600000000 ]- atom: 35 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ -0.0048137600000000, 0.0033965000000000, 0.0043192800000000 ] - [ -0.0035893000000000, -0.0039844800000000, -0.0073643800000000 ] - [ 0.0571566100000000, 0.0250992700000000, -0.0583792500000000 ] - [ -0.0056384600000000, 0.0019598800000000, -0.0018506600000000 ] - [ -0.0016635600000000, 0.0015525300000000, 0.0000865900000000 ] - [ -0.0007665700000000, -0.0001017200000000, -0.0001535800000000 ] - [ 0.0000720000000000, 0.0002867100000000, 0.0015915800000000 ] - [ 0.0001533400000000, -0.0009529300000000, -0.0000998500000000 ] - [ 0.0011066900000000, 0.0016187700000000, 0.0002696500000000 ] - [ 0.0005555400000000, -0.0001313200000000, -0.0014020700000000 ] - [ 0.0013344000000000, 0.0003497800000000, 0.0000065700000000 ] - [ -0.0018380700000000, -0.0003341600000000, -0.0005638100000000 ] - [ 0.0243346900000000, -0.0325062400000000, 0.0106576500000000 ] - [ -0.0014490300000000, -0.0018416300000000, -0.0012526800000000 ] - [ -0.0021674700000000, 0.0008731700000000, 0.0036088900000000 ] - [ -0.0023763800000000, 0.0007450900000000, -0.0024641700000000 ] - [ -0.0002121200000000, -0.0005197100000000, -0.0004547800000000 ] - [ -0.0002007300000000, -0.0003632200000000, -0.0005735400000000 ] - [ -0.0032386800000000, 0.0023407900000000, 0.0011159600000000 ] - [ 0.0005538500000000, 0.0021085100000000, -0.0012880600000000 ] - [ -0.0001563600000000, 0.0003476800000000, -0.0005154600000000 ] - [ -0.0004848000000000, 0.0001899300000000, -0.0001899900000000 ] - [ 0.0009399800000000, 0.0000257300000000, -0.0000345300000000 ] - [ 0.0007292000000000, 0.0000488900000000, 0.0000529600000000 ] - [ -0.0006061200000000, 0.0003306000000000, 0.0000810700000000 ] - [ -0.0000921900000000, 0.0001986300000000, -0.0000388000000000 ] - [ 0.0000228200000000, -0.0000918700000000, 0.0005781000000000 ] - [ 0.0000415500000000, 0.0002491100000000, 0.0003635000000000 ] - [ -0.0004620600000000, -0.0003707100000000, -0.0000615000000000 ] - [ 0.0008949300000000, -0.0017764800000000, -0.0012312200000000 ] - [ 0.0026508800000000, -0.0008317500000000, -0.0009526400000000 ] - [ -0.0001677100000000, -0.0000455600000000, 0.0005374400000000 ] - [ 0.0002520700000000, 0.0006337900000000, -0.0024041500000000 ] - [ 0.0004750600000000, -0.0005314900000000, 0.0015177300000000 ] - [ -0.0957646800000000, -0.0018888800000000, 0.0640014700000000 ] - [ 0.0006813200000000, 0.0003494800000000, -0.0004640900000000 ] - [ -0.0000032700000000, -0.0001906900000000, 0.0002111600000000 ] - [ 0.0002473800000000, 0.0002235600000000, 0.0005357000000000 ] - [ -0.0004565500000000, -0.0005717400000000, -0.0007113100000000 ] - [ -0.0003168200000000, 0.0000317800000000, -0.0001016900000000 ] - [ 0.0019643400000000, 0.0007345100000000, -0.0005435800000000 ] - [ -0.0015015100000000, 0.0004674000000000, 0.0075743600000000 ] - [ 0.0116136800000000, -0.0092625900000000, -0.0108363000000000 ] - [ 0.0044618100000000, 0.0004515600000000, 0.0018936000000000 ] - [ -0.0002635700000000, 0.0002023400000000, -0.0004299900000000 ] - [ -0.0001035900000000, 0.0001602100000000, -0.0005176700000000 ] - [ 0.0001173300000000, -0.0005134400000000, 0.0000246500000000 ] - [ 0.0002536200000000, 0.0002054000000000, 0.0002395700000000 ] - [ 0.0003879600000000, -0.0000600500000000, -0.0002620400000000 ] - [ 0.0000736200000000, 0.0003826000000000, 0.0003632100000000 ] - [ 0.0073393600000000, 0.0049076500000000, -0.0070236600000000 ] - [ 0.0021946900000000, -0.0014272800000000, 0.0018663400000000 ] - [ 0.0000551200000000, -0.0003776200000000, 0.0000103100000000 ] - [ 0.0004298900000000, 0.0002524700000000, -0.0004783000000000 ] - [ -0.0007557300000000, -0.0005274100000000, 0.0003793300000000 ] - [ -0.0005690100000000, -0.0003981700000000, 0.0006067200000000 ] - [ 0.0020190700000000, 0.0006407200000000, -0.0049659700000000 ] - [ 0.0004509400000000, -0.0001341700000000, 0.0008231400000000 ] - [ 0.0021171600000000, -0.0006096900000000, 0.0018912900000000 ] - [ -0.0007147600000000, 0.0076009000000000, 0.0018841000000000 ] - [ -0.0001219500000000, -0.0006191200000000, -0.0002241000000000 ] - [ 0.0003577800000000, 0.0002530800000000, 0.0001121500000000 ] - [ 0.0007834200000000, 0.0001563000000000, 0.0010997300000000 ] - [ 0.0001261900000000, 0.0002659000000000, 0.0002311600000000 ] - [ -0.0003689900000000, -0.0002992900000000, 0.0005198900000000 ] - [ -0.0008758400000000, -0.0006744800000000, 0.0005096600000000 ] - [ 0.0007838000000000, 0.0000556200000000, -0.0005057400000000 ] - [ 0.0000652600000000, -0.0003973700000000, -0.0007312700000000 ] - [ -0.0004214900000000, 0.0005350400000000, 0.0007495600000000 ] - [ 0.0023652200000000, 0.0126712300000000, -0.0091837400000000 ] - [ 0.0008121700000000, 0.0000312100000000, 0.0038101800000000 ] - [ 0.0003818100000000, 0.0001873800000000, -0.0009017800000000 ] - [ -0.0002231200000000, -0.0014196100000000, -0.0005615800000000 ] - [ 0.0002380600000000, 0.0012329800000000, 0.0006782100000000 ] - [ 0.0030687800000000, -0.0002548200000000, -0.0002297100000000 ] - [ -0.0026518200000000, -0.0067615900000000, 0.0029890600000000 ] - [ -0.0011054200000000, -0.0035647300000000, 0.0017181100000000 ] - [ -0.0000838300000000, -0.0001184700000000, 0.0001068300000000 ] - [ 0.0007448700000000, 0.0000292200000000, 0.0006498000000000 ] - [ 0.0008170400000000, 0.0000705600000000, -0.0003186600000000 ]- atom: 35 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ 0.0037187600000000, -0.0037976500000000, -0.0053020600000000 ] - [ 0.0024870300000000, 0.0036028900000000, 0.0064372700000000 ] - [ -0.0570230800000000, -0.0244358900000000, 0.0613587600000000 ] - [ 0.0060032600000000, -0.0005034500000000, 0.0031007200000000 ] - [ 0.0004962500000000, -0.0011155500000000, -0.0010422600000000 ] - [ -0.0003724800000000, 0.0004568600000000, -0.0007995700000000 ] - [ 0.0002882400000000, -0.0017129800000000, -0.0003445800000000 ] - [ 0.0001790200000000, -0.0004845600000000, 0.0013492200000000 ] - [ 0.0005677900000000, -0.0001443400000000, -0.0014683300000000 ] - [ 0.0011123300000000, 0.0016349100000000, 0.0002134500000000 ] - [ -0.0026199000000000, -0.0007267000000000, -0.0008399200000000 ] - [ 0.0005715800000000, -0.0000763600000000, -0.0002894400000000 ] - [ -0.0222021600000000, 0.0308848100000000, -0.0118599400000000 ] - [ 0.0031175900000000, 0.0003503500000000, 0.0000962800000000 ] - [ 0.0008945400000000, -0.0004256800000000, -0.0044821100000000 ] - [ 0.0010978300000000, -0.0003308000000000, 0.0016000400000000 ] - [ -0.0003542000000000, -0.0000732200000000, -0.0002433500000000 ] - [ -0.0003712200000000, -0.0002250300000000, -0.0001039800000000 ] - [ 0.0049031800000000, -0.0024140200000000, -0.0011823100000000 ] - [ 0.0010973500000000, -0.0021590200000000, 0.0012441200000000 ] - [ -0.0004161800000000, 0.0002353200000000, -0.0001483700000000 ] - [ -0.0000818000000000, 0.0003983200000000, -0.0004925400000000 ] - [ 0.0007086100000000, 0.0000233000000000, -0.0000147600000000 ] - [ 0.0009164000000000, 0.0000005900000000, -0.0001010900000000 ] - [ -0.0002604700000000, 0.0003785000000000, 0.0000535200000000 ] - [ -0.0007803500000000, 0.0005111300000000, 0.0001768800000000 ] - [ 0.0002906000000000, 0.0002681900000000, 0.0001966900000000 ] - [ 0.0002668100000000, -0.0000719300000000, 0.0004118900000000 ] - [ -0.0004144600000000, -0.0003394500000000, 0.0001933600000000 ] - [ -0.0017288700000000, 0.0010787500000000, 0.0013501300000000 ] - [ -0.0023587700000000, 0.0006380400000000, 0.0016954300000000 ] - [ 0.0004801600000000, -0.0001270400000000, 0.0002409300000000 ] - [ -0.0000696700000000, -0.0008177600000000, 0.0033246800000000 ] - [ -0.0002912400000000, 0.0003560300000000, -0.0006270300000000 ] - [ 0.0949888700000000, 0.0032136600000000, -0.0665883800000000 ] - [ -0.0014389100000000, 0.0000219600000000, -0.0002050800000000 ] - [ 0.0001848400000000, 0.0003398200000000, 0.0006544900000000 ] - [ -0.0000639300000000, -0.0000504200000000, 0.0003455400000000 ] - [ -0.0002972300000000, 0.0002053900000000, 0.0000520200000000 ] - [ -0.0004335300000000, -0.0004044800000000, -0.0005627900000000 ] - [ -0.0023646400000000, -0.0011700400000000, -0.0003276600000000 ] - [ 0.0011587400000000, -0.0008338000000000, -0.0084456400000000 ] - [ -0.0113777900000000, 0.0091938200000000, 0.0113916400000000 ] - [ -0.0038964800000000, -0.0007175200000000, -0.0015507500000000 ] - [ -0.0001034800000000, 0.0002037700000000, -0.0004439400000000 ] - [ -0.0002710000000000, 0.0002558100000000, -0.0003577600000000 ] - [ 0.0004019500000000, 0.0007846800000000, 0.0002992900000000 ] - [ 0.0002820900000000, 0.0000904500000000, 0.0000781700000000 ] - [ -0.0001186200000000, 0.0000170100000000, -0.0001409600000000 ] - [ 0.0002058600000000, -0.0004322900000000, -0.0007867300000000 ] - [ -0.0089191300000000, -0.0044951900000000, 0.0081460600000000 ] - [ -0.0035482200000000, 0.0020269700000000, -0.0008422900000000 ] - [ 0.0002345100000000, 0.0003850200000000, -0.0004287700000000 ] - [ -0.0001582300000000, -0.0002030700000000, 0.0000651400000000 ] - [ -0.0006268500000000, -0.0000977500000000, 0.0006422000000000 ] - [ -0.0008073300000000, -0.0002215600000000, 0.0004137300000000 ] - [ -0.0018736200000000, -0.0007562700000000, 0.0046597600000000 ] - [ -0.0003262900000000, 0.0000119300000000, -0.0011053000000000 ] - [ -0.0012979600000000, 0.0002192300000000, -0.0006563600000000 ] - [ 0.0015129400000000, -0.0079980800000000, -0.0006412900000000 ] - [ 0.0002561000000000, 0.0007393800000000, -0.0000760200000000 ] - [ -0.0002238900000000, -0.0001336200000000, -0.0004128000000000 ] - [ 0.0000704700000000, 0.0002398100000000, 0.0001769500000000 ] - [ 0.0007139200000000, 0.0001357600000000, 0.0010309600000000 ] - [ -0.0008147100000000, -0.0006625500000000, 0.0005030800000000 ] - [ -0.0003001000000000, -0.0002805300000000, 0.0005102700000000 ] - [ -0.0001167800000000, -0.0004029000000000, -0.0005823200000000 ] - [ 0.0006142400000000, 0.0000416000000000, -0.0003556400000000 ] - [ -0.0007397400000000, 0.0004274200000000, 0.0002659400000000 ] - [ -0.0034521600000000, -0.0116038800000000, 0.0100463500000000 ] - [ -0.0001102400000000, 0.0003205300000000, -0.0049197800000000 ] - [ 0.0002905000000000, 0.0001529000000000, -0.0001838100000000 ] - [ -0.0001687600000000, 0.0019689900000000, 0.0007057400000000 ] - [ -0.0006416400000000, -0.0007262300000000, -0.0005442300000000 ] - [ -0.0017617200000000, -0.0001979600000000, 0.0004919100000000 ] - [ 0.0040236800000000, 0.0062110400000000, -0.0027126200000000 ] - [ 0.0006876100000000, 0.0029491800000000, -0.0015258300000000 ] - [ -0.0003076700000000, -0.0003865000000000, 0.0000291700000000 ] - [ 0.0005775500000000, 0.0004162700000000, -0.0003927100000000 ] - [ 0.0005042600000000, 0.0003656700000000, 0.0005793300000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018073300000000, 0.0017059200000000, 0.0004380700000000 ] - [ -0.0048541500000000, 0.0082105100000000, -0.0116584800000000 ] - [ 0.0111076200000000, 0.0369623500000000, -0.0098991100000000 ] - [ 0.0014803000000000, 0.0070512000000000, 0.0020600800000000 ] - [ 0.0034397800000000, -0.0149873500000000, -0.0016193000000000 ] - [ -0.0014823200000000, -0.0027963600000000, -0.0005210400000000 ] - [ 0.0006962600000000, -0.0052794600000000, -0.0030503000000000 ] - [ 0.0011946700000000, -0.0038153000000000, 0.0003305200000000 ] - [ 0.0000632800000000, -0.0018141400000000, 0.0004038600000000 ] - [ 0.0017442500000000, -0.0044073900000000, 0.0007216300000000 ] - [ -0.0010795100000000, -0.0191241900000000, -0.0078494100000000 ] - [ -0.0007570300000000, -0.0037870400000000, -0.0010478500000000 ] - [ -0.0238383600000000, 0.0689838100000000, -0.0188968000000000 ] - [ 0.0006471200000000, 0.0013648200000000, -0.0013718400000000 ] - [ -0.0020573300000000, 0.0060614900000000, 0.0019993800000000 ] - [ -0.0009587600000000, 0.0023657600000000, -0.0000639800000000 ] - [ -0.0003924100000000, 0.0002441600000000, 0.0021008100000000 ] - [ -0.0002015800000000, -0.0000369000000000, -0.0004087300000000 ] - [ -0.0047893900000000, 0.0031321700000000, 0.0027241900000000 ] - [ 0.0056401200000000, -0.0006560300000000, -0.0003349900000000 ] - [ -0.0000926500000000, 0.0004598500000000, -0.0017248100000000 ] - [ -0.0007558700000000, -0.0000113300000000, -0.0000885800000000 ] - [ 0.0008712800000000, -0.0001689400000000, -0.0003756100000000 ] - [ 0.0008201700000000, -0.0000156000000000, 0.0000689400000000 ] - [ -0.0006082100000000, 0.0000651100000000, 0.0001526200000000 ] - [ -0.0001338200000000, -0.0002592600000000, -0.0003512300000000 ] - [ -0.0000962600000000, -0.0003822800000000, 0.0008399900000000 ] - [ 0.0017582600000000, -0.0014848000000000, 0.0015652700000000 ] - [ 0.0005646300000000, -0.0002427000000000, 0.0006839000000000 ] - [ -0.0002899900000000, -0.0014440700000000, -0.0008469000000000 ] - [ -0.0021265500000000, 0.0015888500000000, -0.0062607300000000 ] - [ 0.0002476500000000, 0.0001276300000000, 0.0002636400000000 ] - [ 0.0005813700000000, -0.0018032000000000, 0.0003544500000000 ] - [ -0.0004022100000000, -0.0017518900000000, 0.0008289700000000 ] - [ -0.0026721400000000, -0.1581202200000000, 0.0744529600000000 ] - [ -0.0002115900000000, -0.0018117200000000, 0.0001970700000000 ] - [ 0.0002735200000000, 0.0076146100000000, 0.0050719600000000 ] - [ 0.0000815600000000, 0.0017801400000000, 0.0011616900000000 ] - [ 0.0000147100000000, 0.0008519700000000, -0.0003748600000000 ] - [ -0.0005956300000000, 0.0015549000000000, -0.0000235300000000 ] - [ -0.0009927600000000, -0.0018676400000000, -0.0003892100000000 ] - [ -0.0032569000000000, -0.0078963000000000, -0.0006542200000000 ] - [ -0.0037223200000000, -0.0017189500000000, 0.0034001700000000 ] - [ 0.0022015000000000, -0.0032320300000000, 0.0007467300000000 ] - [ -0.0007717700000000, 0.0027072800000000, -0.0000968400000000 ] - [ -0.0008000400000000, 0.0016915100000000, -0.0001478300000000 ] - [ 0.0023754700000000, 0.0050625900000000, 0.0001229000000000 ] - [ 0.0004276100000000, 0.0011739700000000, 0.0002816200000000 ] - [ 0.0008142400000000, -0.0004055900000000, -0.0018817600000000 ] - [ 0.0000669900000000, -0.0005516400000000, 0.0013262100000000 ] - [ 0.0166512000000000, 0.0040215700000000, -0.0086318100000000 ] - [ -0.0046305700000000, -0.0002782900000000, 0.0001843100000000 ] - [ -0.0016760000000000, 0.0063779600000000, -0.0001056300000000 ] - [ 0.0010794500000000, 0.0007368600000000, -0.0005721200000000 ] - [ -0.0008841100000000, 0.0003268900000000, 0.0010400400000000 ] - [ -0.0010786100000000, 0.0000833200000000, -0.0001162300000000 ] - [ 0.0031584800000000, -0.0010541400000000, -0.0065162300000000 ] - [ -0.0000852200000000, -0.0010536200000000, -0.0011280300000000 ] - [ 0.0004285000000000, -0.0006308800000000, 0.0005299300000000 ] - [ 0.0049470900000000, 0.0102784500000000, 0.0097542200000000 ] - [ -0.0018595700000000, 0.0031806600000000, 0.0029400700000000 ] - [ 0.0002899200000000, 0.0008729600000000, 0.0001995600000000 ] - [ -0.0019873100000000, 0.0015107400000000, -0.0026565000000000 ] - [ 0.0007550900000000, 0.0009311000000000, 0.0000766700000000 ] - [ -0.0001514500000000, 0.0005963100000000, -0.0000812000000000 ] - [ -0.0001041600000000, 0.0006978600000000, -0.0001864100000000 ] - [ 0.0006095100000000, 0.0008439200000000, -0.0010408300000000 ] - [ -0.0020245200000000, 0.0043366000000000, -0.0011671200000000 ] - [ -0.0021312600000000, -0.0004807400000000, 0.0001429000000000 ] - [ 0.0035788200000000, 0.0054323500000000, -0.0061260300000000 ] - [ 0.0009569300000000, -0.0036528400000000, 0.0017253700000000 ] - [ 0.0001192300000000, -0.0007872900000000, -0.0011667700000000 ] - [ -0.0002754100000000, 0.0002277700000000, 0.0007694400000000 ] - [ 0.0012933500000000, 0.0014759000000000, 0.0017972500000000 ] - [ 0.0033012400000000, -0.0001306200000000, -0.0009214100000000 ] - [ -0.0009529600000000, 0.0245929000000000, -0.0145722600000000 ] - [ 0.0022560900000000, 0.0202343000000000, -0.0085071800000000 ] - [ -0.0004087600000000, -0.0000082500000000, 0.0001780600000000 ] - [ 0.0009086000000000, 0.0005094600000000, 0.0010187600000000 ] - [ 0.0005509300000000, -0.0000794800000000, 0.0007794800000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005960200000000, -0.0019947700000000, -0.0013040000000000 ] - [ 0.0037098200000000, -0.0083399300000000, 0.0105578300000000 ] - [ -0.0111547900000000, -0.0354490600000000, 0.0118427000000000 ] - [ -0.0011255300000000, -0.0055928500000000, -0.0008189300000000 ] - [ -0.0045690900000000, 0.0152937000000000, 0.0006627400000000 ] - [ 0.0003291200000000, 0.0031419600000000, -0.0004278500000000 ] - [ -0.0003614100000000, 0.0038042300000000, 0.0042941800000000 ] - [ -0.0008426000000000, 0.0023400500000000, 0.0009148300000000 ] - [ 0.0016072400000000, 0.0033088200000000, -0.0015649400000000 ] - [ -0.0000696000000000, 0.0058631100000000, -0.0019066900000000 ] - [ -0.0001919100000000, 0.0186480900000000, 0.0069782400000000 ] - [ -0.0005176000000000, 0.0033329100000000, 0.0001845600000000 ] - [ 0.0245269600000000, -0.0662364700000000, 0.0157675800000000 ] - [ 0.0009986100000000, -0.0028357000000000, 0.0001646500000000 ] - [ 0.0007593300000000, -0.0055960700000000, -0.0028159100000000 ] - [ -0.0002886600000000, -0.0019638000000000, -0.0007607600000000 ] - [ -0.0001781300000000, -0.0008311700000000, -0.0027659400000000 ] - [ -0.0003680500000000, -0.0005449000000000, -0.0002696600000000 ] - [ 0.0063886400000000, -0.0031740300000000, -0.0027654900000000 ] - [ -0.0039775500000000, 0.0006011100000000, 0.0002835400000000 ] - [ -0.0004736300000000, 0.0001290900000000, 0.0010398400000000 ] - [ 0.0001787300000000, 0.0005961900000000, -0.0005879300000000 ] - [ 0.0007797200000000, 0.0002160400000000, 0.0003260300000000 ] - [ 0.0008275300000000, 0.0000639100000000, -0.0001170200000000 ] - [ -0.0002638900000000, 0.0006427100000000, -0.0000160800000000 ] - [ -0.0007276000000000, 0.0009635100000000, 0.0004811800000000 ] - [ 0.0004076500000000, 0.0005530600000000, -0.0000601700000000 ] - [ -0.0014474500000000, 0.0016586900000000, -0.0007814800000000 ] - [ -0.0014236200000000, -0.0004636800000000, -0.0005439600000000 ] - [ -0.0005239900000000, 0.0007229600000000, 0.0009635200000000 ] - [ 0.0024227200000000, -0.0018062900000000, 0.0070227200000000 ] - [ 0.0000647700000000, -0.0003004000000000, 0.0005124800000000 ] - [ -0.0003885300000000, 0.0016197300000000, 0.0005032100000000 ] - [ 0.0005706400000000, 0.0015549200000000, 0.0000558500000000 ] - [ 0.0030538900000000, 0.1539235100000000, -0.0737099900000000 ] - [ -0.0005345200000000, 0.0021711800000000, -0.0008576900000000 ] - [ -0.0000899800000000, -0.0074083800000000, -0.0041630600000000 ] - [ 0.0001039000000000, -0.0015924600000000, -0.0002706600000000 ] - [ -0.0007629500000000, -0.0012184300000000, -0.0002961500000000 ] - [ -0.0001569400000000, -0.0019100100000000, -0.0006359000000000 ] - [ 0.0006253400000000, 0.0014486700000000, -0.0004887300000000 ] - [ 0.0028391200000000, 0.0074037200000000, -0.0003495400000000 ] - [ 0.0043039300000000, 0.0013452900000000, -0.0031543900000000 ] - [ -0.0016660400000000, 0.0028985000000000, -0.0004220200000000 ] - [ 0.0003879000000000, -0.0022701900000000, -0.0007774800000000 ] - [ 0.0004293700000000, -0.0012679300000000, -0.0007265900000000 ] - [ -0.0018204900000000, -0.0047368700000000, 0.0001872700000000 ] - [ 0.0001045600000000, -0.0008731200000000, 0.0000387300000000 ] - [ -0.0005295900000000, 0.0003501900000000, 0.0014525100000000 ] - [ 0.0002032100000000, 0.0004864600000000, -0.0017189700000000 ] - [ -0.0181692600000000, -0.0034524100000000, 0.0096651500000000 ] - [ 0.0032414900000000, 0.0008971700000000, 0.0008360700000000 ] - [ 0.0019227300000000, -0.0062995600000000, -0.0003036800000000 ] - [ -0.0007926900000000, -0.0006836500000000, 0.0001522300000000 ] - [ -0.0004997200000000, -0.0009373100000000, -0.0000209800000000 ] - [ -0.0003041700000000, -0.0006969000000000, 0.0011333600000000 ] - [ -0.0029853300000000, 0.0009428000000000, 0.0061489800000000 ] - [ 0.0002132400000000, 0.0009319100000000, 0.0008330300000000 ] - [ 0.0004338000000000, 0.0002176800000000, 0.0007410300000000 ] - [ -0.0040303800000000, -0.0103745200000000, -0.0083292800000000 ] - [ 0.0019980200000000, -0.0030660600000000, -0.0032353200000000 ] - [ -0.0001563200000000, -0.0007434400000000, -0.0004919200000000 ] - [ 0.0028113800000000, -0.0011067700000000, 0.0038944900000000 ] - [ 0.0000849500000000, -0.0005264300000000, 0.0011729000000000 ] - [ -0.0010223000000000, -0.0015462500000000, 0.0010969500000000 ] - [ -0.0010791600000000, -0.0016550200000000, 0.0012049300000000 ] - [ 0.0000603800000000, -0.0011802100000000, -0.0000497200000000 ] - [ 0.0026998600000000, -0.0046765200000000, 0.0000721900000000 ] - [ 0.0009480400000000, 0.0014309200000000, 0.0008748600000000 ] - [ -0.0046115000000000, -0.0043157600000000, 0.0069205400000000 ] - [ -0.0002906100000000, 0.0039931900000000, -0.0027926300000000 ] - [ 0.0005562400000000, 0.0011258200000000, 0.0000725600000000 ] - [ -0.0001201500000000, 0.0002538700000000, -0.0006369300000000 ] - [ -0.0016597900000000, -0.0009545900000000, -0.0016307000000000 ] - [ -0.0019761100000000, -0.0003089900000000, 0.0011821200000000 ] - [ 0.0023564000000000, -0.0253479900000000, 0.0151168000000000 ] - [ -0.0025929700000000, -0.0205711000000000, 0.0085322700000000 ] - [ 0.0000167600000000, -0.0005067700000000, -0.0000367200000000 ] - [ 0.0004101300000000, -0.0000490000000000, -0.0007594600000000 ] - [ 0.0007724600000000, 0.0005300600000000, -0.0005193200000000 ]- atom: 35 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ 0.0060751200000000, -0.0074781600000000, -0.0090062100000000 ] - [ -0.0056898200000000, -0.0106854800000000, 0.0066284900000000 ] - [ -0.0755176000000000, -0.0428536200000000, 0.1291111500000000 ] - [ 0.0029782800000000, 0.0005719400000000, 0.0012921800000000 ] - [ -0.0019837700000000, 0.0082727000000000, -0.0003406900000000 ] - [ 0.0001488600000000, 0.0009140700000000, -0.0007375000000000 ] - [ 0.0014948600000000, -0.0000784400000000, 0.0008331100000000 ] - [ -0.0009413700000000, 0.0000536400000000, 0.0009268600000000 ] - [ 0.0013538700000000, 0.0001588100000000, -0.0025895500000000 ] - [ -0.0001582500000000, 0.0025829400000000, -0.0018337600000000 ] - [ -0.0015874600000000, 0.0090406300000000, 0.0059589900000000 ] - [ 0.0000865000000000, 0.0012216300000000, 0.0001384400000000 ] - [ -0.0028447900000000, 0.0135126200000000, 0.0109896000000000 ] - [ 0.0025928800000000, -0.0008113000000000, 0.0021477800000000 ] - [ 0.0040109400000000, -0.0024368700000000, -0.0082822700000000 ] - [ -0.0079636600000000, 0.0003747900000000, -0.0062611200000000 ] - [ -0.0002868300000000, -0.0004561400000000, -0.0020709500000000 ] - [ -0.0002933800000000, -0.0006093600000000, -0.0006941100000000 ] - [ 0.0051303400000000, -0.0019449200000000, -0.0021979300000000 ] - [ -0.0015461700000000, -0.0010909600000000, 0.0018292600000000 ] - [ -0.0004894200000000, -0.0000404200000000, 0.0011192200000000 ] - [ -0.0001646500000000, 0.0003115500000000, -0.0003597600000000 ] - [ 0.0006169700000000, -0.0002066500000000, -0.0001438300000000 ] - [ 0.0009295200000000, 0.0000897900000000, -0.0001655300000000 ] - [ -0.0002548200000000, 0.0003779900000000, -0.0000045200000000 ] - [ -0.0006894500000000, 0.0004212300000000, 0.0003625300000000 ] - [ 0.0003658300000000, 0.0003794600000000, 0.0000886600000000 ] - [ -0.0007533500000000, 0.0008634600000000, -0.0003961300000000 ] - [ -0.0011468900000000, -0.0004591100000000, -0.0003622400000000 ] - [ -0.0023432000000000, 0.0015211900000000, 0.0017748700000000 ] - [ -0.0045329800000000, -0.0030362100000000, -0.0037574700000000 ] - [ 0.0004066600000000, -0.0001419500000000, 0.0004027300000000 ] - [ -0.0009017000000000, -0.0002115600000000, 0.0041681400000000 ] - [ 0.0025410400000000, -0.0001329500000000, 0.0024402100000000 ] - [ 0.1074065000000000, 0.0672232600000000, -0.1938885700000000 ] - [ -0.0010263500000000, 0.0005589200000000, -0.0008571200000000 ] - [ 0.0000345900000000, -0.0037453400000000, -0.0025004700000000 ] - [ 0.0000253500000000, -0.0005513800000000, 0.0000591400000000 ] - [ -0.0006697700000000, 0.0000458600000000, 0.0003782900000000 ] - [ -0.0002057600000000, -0.0005653900000000, -0.0001159300000000 ] - [ -0.0023152000000000, -0.0010951500000000, 0.0003700200000000 ] - [ 0.0051284300000000, 0.0045154800000000, 0.0106801100000000 ] - [ -0.0157160500000000, 0.0114306100000000, 0.0121458400000000 ] - [ -0.0003414800000000, 0.0006343500000000, -0.0013043200000000 ] - [ 0.0002012400000000, -0.0011310600000000, -0.0006308300000000 ] - [ -0.0003004100000000, -0.0000966200000000, -0.0005149700000000 ] - [ -0.0009582200000000, -0.0020263700000000, 0.0004938400000000 ] - [ 0.0002903500000000, -0.0001458800000000, 0.0001202300000000 ] - [ -0.0006593200000000, 0.0005072500000000, 0.0013357400000000 ] - [ 0.0007202000000000, 0.0013151500000000, -0.0006506200000000 ] - [ -0.0079202200000000, -0.0016775500000000, 0.0047825000000000 ] - [ -0.0008792800000000, 0.0013748500000000, -0.0005913600000000 ] - [ 0.0017543900000000, -0.0045698400000000, -0.0004631900000000 ] - [ -0.0004864500000000, -0.0003265600000000, -0.0001664300000000 ] - [ -0.0008866500000000, -0.0001609900000000, 0.0006226600000000 ] - [ -0.0001938800000000, -0.0002115600000000, 0.0008622500000000 ] - [ -0.0055875100000000, -0.0017685600000000, 0.0100307800000000 ] - [ -0.0001239700000000, 0.0002011200000000, 0.0017781600000000 ] - [ -0.0018655000000000, 0.0009694400000000, -0.0011596300000000 ] - [ -0.0026636000000000, 0.0015275800000000, -0.0094377800000000 ] - [ 0.0009651500000000, 0.0006877400000000, -0.0020045400000000 ] - [ -0.0000010200000000, -0.0003444300000000, -0.0006762100000000 ] - [ 0.0020543900000000, -0.0003991100000000, 0.0029315500000000 ] - [ 0.0003674900000000, -0.0000867600000000, 0.0013733900000000 ] - [ -0.0008214500000000, -0.0009206000000000, 0.0008134000000000 ] - [ -0.0006982500000000, -0.0005536800000000, 0.0008539200000000 ] - [ -0.0000972500000000, -0.0006530700000000, -0.0004380300000000 ] - [ 0.0016497700000000, -0.0027198200000000, -0.0003194700000000 ] - [ 0.0007702400000000, 0.0008313600000000, 0.0003303200000000 ] - [ -0.0068708100000000, -0.0169400400000000, 0.0139305800000000 ] - [ 0.0113162900000000, 0.0001260600000000, 0.0117391700000000 ] - [ 0.0000728400000000, 0.0003537000000000, 0.0002216500000000 ] - [ -0.0003700000000000, 0.0026166000000000, 0.0004914100000000 ] - [ -0.0008313900000000, -0.0004156300000000, -0.0008048300000000 ] - [ -0.0015189300000000, -0.0005673400000000, 0.0006398900000000 ] - [ 0.0018037400000000, -0.0108041500000000, 0.0024788200000000 ] - [ -0.0009884900000000, -0.0111220500000000, 0.0054745000000000 ] - [ -0.0001016600000000, -0.0000980300000000, 0.0001207400000000 ] - [ 0.0016423600000000, 0.0004710700000000, -0.0000088300000000 ] - [ 0.0002534100000000, 0.0003121800000000, 0.0004655600000000 ]- atom: 35 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ -0.0071239700000000, 0.0070265400000000, 0.0079565300000000 ] - [ 0.0045397600000000, 0.0101946000000000, -0.0073980200000000 ] - [ 0.0713164200000000, 0.0407248000000000, -0.1198613300000000 ] - [ -0.0025951800000000, 0.0008687200000000, -0.0000192000000000 ] - [ 0.0007481600000000, -0.0077260500000000, -0.0006022100000000 ] - [ -0.0012803500000000, -0.0005561600000000, -0.0002181900000000 ] - [ -0.0011180900000000, -0.0013201200000000, 0.0004125400000000 ] - [ 0.0012695900000000, -0.0014703300000000, 0.0003170900000000 ] - [ 0.0003276500000000, 0.0013142700000000, 0.0013798700000000 ] - [ 0.0018172000000000, -0.0010657800000000, 0.0006337500000000 ] - [ 0.0003090700000000, -0.0093389600000000, -0.0067390900000000 ] - [ -0.0013483400000000, -0.0016245200000000, -0.0009909800000000 ] - [ 0.0047054500000000, -0.0147525900000000, -0.0123549400000000 ] - [ -0.0009230100000000, -0.0006824500000000, -0.0032992300000000 ] - [ -0.0052769900000000, 0.0028827800000000, 0.0073965700000000 ] - [ 0.0066326700000000, 0.0000660400000000, 0.0053399700000000 ] - [ -0.0002761300000000, -0.0001439500000000, 0.0013516800000000 ] - [ -0.0002786400000000, 0.0000174800000000, 0.0000107700000000 ] - [ -0.0034564400000000, 0.0018729100000000, 0.0020986800000000 ] - [ 0.0031796500000000, 0.0010199100000000, -0.0018544700000000 ] - [ -0.0000843200000000, 0.0006203400000000, -0.0017723800000000 ] - [ -0.0003985400000000, 0.0002776900000000, -0.0003226700000000 ] - [ 0.0010283800000000, 0.0002568500000000, 0.0000952500000000 ] - [ 0.0007162900000000, -0.0000395700000000, 0.0001160200000000 ] - [ -0.0006112000000000, 0.0003311000000000, 0.0001382400000000 ] - [ -0.0001858200000000, 0.0002903100000000, -0.0002204600000000 ] - [ -0.0000520300000000, -0.0002019600000000, 0.0006857100000000 ] - [ 0.0010547000000000, -0.0006784700000000, 0.0011673800000000 ] - [ 0.0002639800000000, -0.0002527300000000, 0.0004888600000000 ] - [ 0.0015650400000000, -0.0022081600000000, -0.0016834200000000 ] - [ 0.0048654700000000, 0.0028563600000000, 0.0044943500000000 ] - [ -0.0000943900000000, -0.0000299000000000, 0.0003736400000000 ] - [ 0.0010746800000000, 0.0000397000000000, -0.0032563100000000 ] - [ -0.0023311100000000, -0.0000230500000000, -0.0015448900000000 ] - [ -0.1035317000000000, -0.0634742000000000, 0.1852023400000000 ] - [ 0.0002662800000000, -0.0001867300000000, 0.0001878700000000 ] - [ 0.0001504100000000, 0.0038602200000000, 0.0033453100000000 ] - [ 0.0001580800000000, 0.0007217700000000, 0.0008210800000000 ] - [ -0.0000863500000000, -0.0004160000000000, -0.0010365300000000 ] - [ -0.0005425100000000, 0.0001846400000000, -0.0005498100000000 ] - [ 0.0019034600000000, 0.0006608200000000, -0.0012405800000000 ] - [ -0.0053225600000000, -0.0047864400000000, -0.0112820500000000 ] - [ 0.0158175200000000, -0.0114603000000000, -0.0115988900000000 ] - [ 0.0008428600000000, -0.0009173200000000, 0.0016014400000000 ] - [ -0.0005627400000000, 0.0015247200000000, -0.0002424400000000 ] - [ -0.0000759700000000, 0.0005089500000000, -0.0003607600000000 ] - [ 0.0014664100000000, 0.0022663700000000, -0.0001656300000000 ] - [ 0.0002449700000000, 0.0004375200000000, 0.0001978600000000 ] - [ 0.0009212900000000, -0.0005432100000000, -0.0017246100000000 ] - [ -0.0004384600000000, -0.0013433300000000, 0.0002239200000000 ] - [ 0.0063762200000000, 0.0021784900000000, -0.0037420300000000 ] - [ -0.0005032600000000, -0.0007451900000000, 0.0016017300000000 ] - [ -0.0014515200000000, 0.0045522000000000, 0.0000326100000000 ] - [ 0.0007515100000000, 0.0003761900000000, -0.0002458800000000 ] - [ -0.0004950300000000, -0.0004716800000000, 0.0003988200000000 ] - [ -0.0011811000000000, -0.0004151400000000, 0.0001607700000000 ] - [ 0.0057079600000000, 0.0016339000000000, -0.0102884700000000 ] - [ 0.0002590700000000, -0.0003278800000000, -0.0020795600000000 ] - [ 0.0026662200000000, -0.0013491700000000, 0.0023863900000000 ] - [ 0.0034675800000000, -0.0020405400000000, 0.0105746400000000 ] - [ -0.0008293000000000, -0.0005665900000000, 0.0017003900000000 ] - [ 0.0001326100000000, 0.0004598200000000, 0.0003777300000000 ] - [ -0.0011833100000000, 0.0007873200000000, -0.0016342900000000 ] - [ 0.0004683600000000, 0.0004872800000000, -0.0001088200000000 ] - [ -0.0003623400000000, -0.0000440800000000, 0.0002115100000000 ] - [ -0.0004778900000000, -0.0004025200000000, 0.0001662100000000 ] - [ 0.0007628100000000, 0.0003039600000000, -0.0006496800000000 ] - [ -0.0009607200000000, 0.0023395600000000, -0.0007672500000000 ] - [ -0.0019239900000000, 0.0001354900000000, 0.0006883100000000 ] - [ 0.0058980100000000, 0.0182739900000000, -0.0131849400000000 ] - [ -0.0107439600000000, 0.0002388700000000, -0.0129046600000000 ] - [ 0.0005986900000000, -0.0000114800000000, -0.0013009600000000 ] - [ -0.0000227600000000, -0.0020534100000000, -0.0003450600000000 ] - [ 0.0004262700000000, 0.0009256900000000, 0.0009287900000000 ] - [ 0.0028194900000000, 0.0001098600000000, -0.0003792300000000 ] - [ -0.0003942900000000, 0.0100708500000000, -0.0021719100000000 ] - [ 0.0005455100000000, 0.0103010900000000, -0.0052061500000000 ] - [ -0.0002893900000000, -0.0004042700000000, 0.0000164200000000 ] - [ -0.0003170600000000, -0.0000418400000000, 0.0002689300000000 ] - [ 0.0010650600000000, 0.0001161200000000, -0.0002019500000000 ]- atom: 41 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ 0.0394924700000000, 0.0270224100000000, 0.0019382100000000 ] - [ -0.0130958500000000, 0.0072347200000000, 0.0039824300000000 ] - [ -0.0113893500000000, 0.0092296000000000, 0.0018057400000000 ] - [ 0.0372546500000000, 0.0172582200000000, 0.0182584300000000 ] - [ 0.0007247300000000, -0.0016534300000000, -0.0004215600000000 ] - [ -0.0024601900000000, -0.0003194500000000, -0.0020053800000000 ] - [ 0.0024346300000000, 0.0007980500000000, -0.0000980000000000 ] - [ -0.0008161900000000, -0.0031639100000000, 0.0005719500000000 ] - [ -0.0001674900000000, -0.0030854700000000, -0.0011437700000000 ] - [ 0.0009635500000000, 0.0009087400000000, 0.0003447600000000 ] - [ -0.0012546500000000, 0.0000652000000000, -0.0003265900000000 ] - [ -0.0008521900000000, -0.0063828700000000, -0.0032949600000000 ] - [ -0.0011632200000000, -0.0030253200000000, 0.0010678900000000 ] - [ 0.0023935800000000, 0.0071594400000000, -0.0030183900000000 ] - [ -0.0012970100000000, 0.0141536400000000, -0.0113457100000000 ] - [ -0.0059462200000000, 0.0032146200000000, 0.0098768900000000 ] - [ 0.0007274000000000, 0.0000200100000000, -0.0020777800000000 ] - [ -0.0010170400000000, -0.0004501200000000, -0.0003162600000000 ] - [ 0.0035014400000000, 0.0010644600000000, -0.0003055300000000 ] - [ -0.0007787400000000, -0.0004756200000000, -0.0000952400000000 ] - [ -0.0004092700000000, 0.0000676500000000, 0.0003552000000000 ] - [ -0.0002077300000000, 0.0003989600000000, -0.0007177400000000 ] - [ 0.0019579200000000, -0.0004516700000000, 0.0000452700000000 ] - [ -0.0004955100000000, 0.0003603700000000, 0.0001875500000000 ] - [ 0.0000977700000000, 0.0000929000000000, 0.0003267400000000 ] - [ -0.0007711400000000, 0.0002166300000000, 0.0000382800000000 ] - [ 0.0007811000000000, -0.0001314400000000, 0.0010768400000000 ] - [ -0.0002398300000000, -0.0002523100000000, 0.0002012600000000 ] - [ -0.0004475000000000, -0.0000809200000000, 0.0004116600000000 ] - [ -0.0001665400000000, -0.0008193600000000, -0.0011022000000000 ] - [ 0.0006082900000000, -0.0002891400000000, 0.0009128000000000 ] - [ -0.0002498200000000, 0.0001885000000000, -0.0009979400000000 ] - [ 0.0124193500000000, 0.0041061600000000, 0.0118191900000000 ] - [ 0.0047157800000000, -0.0021611300000000, -0.0013114300000000 ] - [ 0.0017983700000000, -0.0006281200000000, -0.0015091800000000 ] - [ -0.0016534800000000, -0.0028448600000000, 0.0050015300000000 ] - [ 0.0000718000000000, 0.0003762400000000, 0.0005307700000000 ] - [ 0.0000476700000000, 0.0017207400000000, 0.0015919700000000 ] - [ -0.0004576000000000, 0.0003906400000000, 0.0000588000000000 ] - [ -0.0002919400000000, 0.0004283300000000, -0.0004129900000000 ] - [ -0.1173189900000000, -0.0815557300000000, -0.0341651200000000 ] - [ 0.0052208100000000, 0.0014526600000000, 0.0004784600000000 ] - [ 0.0134781100000000, 0.0014987900000000, -0.0064486600000000 ] - [ 0.0125913600000000, -0.0047362200000000, 0.0044527200000000 ] - [ -0.0009213300000000, 0.0011763000000000, -0.0007125600000000 ] - [ 0.0005406600000000, -0.0004013200000000, 0.0003557600000000 ] - [ 0.0000737500000000, 0.0005416700000000, 0.0003311300000000 ] - [ 0.0007341400000000, 0.0005570900000000, 0.0002792600000000 ] - [ -0.0020547800000000, 0.0023935900000000, 0.0002582800000000 ] - [ 0.0017072600000000, -0.0003670400000000, -0.0002951100000000 ] - [ -0.0019947400000000, -0.0016399000000000, -0.0003268700000000 ] - [ 0.0032671800000000, 0.0039764000000000, 0.0040175500000000 ] - [ 0.0001246900000000, 0.0004688100000000, -0.0007426500000000 ] - [ 0.0002404600000000, -0.0001519000000000, 0.0003026700000000 ] - [ -0.0025034900000000, -0.0002933800000000, 0.0001517000000000 ] - [ 0.0008399700000000, -0.0002870900000000, 0.0005885000000000 ] - [ 0.0046411200000000, -0.0034616700000000, 0.0001261000000000 ] - [ 0.0112857900000000, 0.0050405100000000, -0.0048504000000000 ] - [ -0.0036942100000000, -0.0024229700000000, -0.0021872300000000 ] - [ 0.0034490600000000, -0.0006710000000000, 0.0020943100000000 ] - [ -0.0001202200000000, 0.0000130500000000, 0.0000761000000000 ] - [ -0.0003281000000000, 0.0005356300000000, 0.0007746600000000 ] - [ -0.0004190000000000, 0.0005388600000000, 0.0000095800000000 ] - [ 0.0011158100000000, 0.0007094900000000, 0.0014837000000000 ] - [ -0.0009221900000000, -0.0000623400000000, 0.0000218600000000 ] - [ 0.0002262200000000, 0.0000381200000000, 0.0003069300000000 ] - [ -0.0009811600000000, 0.0017251900000000, -0.0015040200000000 ] - [ 0.0010513700000000, -0.0001187700000000, -0.0002922500000000 ] - [ -0.0002048200000000, -0.0010388500000000, -0.0004924500000000 ] - [ -0.0012830500000000, 0.0011829000000000, 0.0024635100000000 ] - [ -0.0014374600000000, -0.0002921400000000, -0.0031488100000000 ] - [ 0.0040661300000000, -0.0008546900000000, 0.0029271000000000 ] - [ 0.0023342200000000, 0.0060390700000000, -0.0011753100000000 ] - [ 0.0000092800000000, -0.0019673900000000, -0.0002863300000000 ] - [ -0.0009341900000000, 0.0047760800000000, 0.0038545500000000 ] - [ 0.0024014800000000, -0.0007483000000000, -0.0001262400000000 ] - [ -0.0005669000000000, 0.0009549000000000, 0.0005942500000000 ] - [ -0.0001165600000000, -0.0010947900000000, 0.0005676000000000 ] - [ 0.0007337000000000, 0.0021106900000000, -0.0011017100000000 ] - [ 0.0013066100000000, -0.0038254000000000, 0.0014359400000000 ]- atom: 41 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ -0.0393839800000000, -0.0253184400000000, -0.0031721500000000 ] - [ 0.0120110100000000, -0.0076665500000000, -0.0050027300000000 ] - [ 0.0117197200000000, -0.0077193900000000, -0.0005626800000000 ] - [ -0.0384433600000000, -0.0174896900000000, -0.0186512800000000 ] - [ -0.0018682400000000, 0.0020094900000000, -0.0005281000000000 ] - [ 0.0013118900000000, 0.0006832800000000, 0.0010485400000000 ] - [ -0.0021042000000000, -0.0022489300000000, 0.0013518700000000 ] - [ 0.0011722800000000, 0.0017335300000000, 0.0006656600000000 ] - [ 0.0018608900000000, 0.0045964000000000, -0.0000312900000000 ] - [ 0.0006996100000000, 0.0005683800000000, -0.0015322800000000 ] - [ -0.0000159900000000, -0.0004800000000000, -0.0005278500000000 ] - [ -0.0004087700000000, 0.0059733400000000, 0.0024393800000000 ] - [ 0.0028160800000000, 0.0015118200000000, -0.0021934800000000 ] - [ -0.0007739500000000, -0.0086743500000000, 0.0017811800000000 ] - [ 0.0001242500000000, -0.0136931800000000, 0.0104993300000000 ] - [ 0.0046851200000000, -0.0028302100000000, -0.0108350100000000 ] - [ -0.0013035400000000, -0.0005991700000000, 0.0014252000000000 ] - [ 0.0004480900000000, -0.0001404900000000, -0.0003713300000000 ] - [ -0.0018513300000000, -0.0011206900000000, 0.0002537300000000 ] - [ 0.0024292200000000, 0.0004355300000000, 0.0000551100000000 ] - [ -0.0001561900000000, 0.0005203800000000, -0.0010387900000000 ] - [ -0.0003652500000000, 0.0001863600000000, 0.0000417800000000 ] - [ -0.0003175000000000, 0.0005028800000000, -0.0000947800000000 ] - [ 0.0021487500000000, -0.0003122400000000, -0.0002394000000000 ] - [ -0.0009728000000000, 0.0006192100000000, -0.0001918800000000 ] - [ -0.0000955200000000, 0.0004919100000000, 0.0000965600000000 ] - [ -0.0004707000000000, 0.0003065200000000, -0.0003006000000000 ] - [ 0.0005521800000000, 0.0004285400000000, 0.0005771800000000 ] - [ -0.0004191300000000, -0.0006299800000000, -0.0002808600000000 ] - [ -0.0006985100000000, 0.0001071500000000, 0.0012349700000000 ] - [ -0.0002944700000000, 0.0001175000000000, -0.0001336900000000 ] - [ 0.0005590700000000, -0.0003674700000000, 0.0017737300000000 ] - [ -0.0118922500000000, -0.0041163400000000, -0.0106172500000000 ] - [ -0.0045781000000000, 0.0020057100000000, 0.0022385600000000 ] - [ -0.0025399600000000, 0.0009897300000000, 0.0008274800000000 ] - [ 0.0009837400000000, 0.0032522900000000, -0.0056777300000000 ] - [ 0.0001110500000000, -0.0002010600000000, 0.0003516700000000 ] - [ 0.0001361100000000, -0.0015433700000000, -0.0007022300000000 ] - [ -0.0002944100000000, -0.0007659000000000, -0.0007286600000000 ] - [ -0.0004595700000000, -0.0007985100000000, -0.0002497000000000 ] - [ 0.1170541700000000, 0.0807546900000000, 0.0350612100000000 ] - [ -0.0056034300000000, -0.0018774500000000, -0.0013458700000000 ] - [ -0.0127048400000000, -0.0017476900000000, 0.0065954900000000 ] - [ -0.0123235100000000, 0.0045719700000000, -0.0042808700000000 ] - [ 0.0005492100000000, -0.0007619400000000, -0.0001615800000000 ] - [ -0.0009130600000000, 0.0008219900000000, -0.0012312500000000 ] - [ 0.0004625100000000, -0.0002436500000000, -0.0000148500000000 ] - [ -0.0002072400000000, -0.0002671000000000, 0.0000431700000000 ] - [ 0.0022603800000000, -0.0025095300000000, -0.0006767900000000 ] - [ -0.0014368400000000, 0.0003276500000000, -0.0001150200000000 ] - [ 0.0006118100000000, 0.0022521800000000, 0.0013452400000000 ] - [ -0.0046255400000000, -0.0033540600000000, -0.0029990100000000 ] - [ 0.0001474300000000, -0.0004190900000000, 0.0003303700000000 ] - [ 0.0000413600000000, 0.0002023600000000, -0.0007226900000000 ] - [ 0.0011290100000000, -0.0003267800000000, 0.0008668600000000 ] - [ -0.0022274400000000, -0.0003357000000000, 0.0004355700000000 ] - [ -0.0044733700000000, 0.0032943000000000, -0.0003879700000000 ] - [ -0.0114435200000000, -0.0053411300000000, 0.0047436600000000 ] - [ 0.0045096300000000, 0.0019851600000000, 0.0034894800000000 ] - [ -0.0026268200000000, 0.0002852900000000, -0.0008518900000000 ] - [ 0.0002558500000000, 0.0001087200000000, -0.0003754700000000 ] - [ 0.0004560100000000, -0.0004162100000000, -0.0010666800000000 ] - [ 0.0012627400000000, -0.0001381100000000, 0.0012491200000000 ] - [ -0.0002783800000000, -0.0003088800000000, -0.0002303600000000 ] - [ -0.0002494900000000, -0.0008940200000000, 0.0009959300000000 ] - [ -0.0014174900000000, -0.0009990300000000, 0.0007168400000000 ] - [ 0.0016567500000000, -0.0020809000000000, 0.0004209900000000 ] - [ -0.0003828100000000, -0.0002259800000000, -0.0007980900000000 ] - [ -0.0009843600000000, 0.0020118400000000, 0.0015288800000000 ] - [ 0.0001109800000000, -0.0002288400000000, -0.0014545200000000 ] - [ 0.0021254300000000, 0.0006385300000000, 0.0020623100000000 ] - [ -0.0033944600000000, 0.0011939300000000, -0.0039985200000000 ] - [ -0.0027523900000000, -0.0055505000000000, 0.0013201100000000 ] - [ -0.0003969000000000, 0.0024996600000000, 0.0004321800000000 ] - [ 0.0023336600000000, -0.0052694000000000, -0.0036100300000000 ] - [ -0.0010798800000000, 0.0002912100000000, 0.0003800500000000 ] - [ 0.0001751200000000, -0.0014543500000000, -0.0004698800000000 ] - [ -0.0002750500000000, 0.0005816200000000, -0.0004177100000000 ] - [ 0.0005862300000000, -0.0016810800000000, 0.0013736900000000 ] - [ 0.0000072200000000, 0.0042863100000000, -0.0011802700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0260051900000000, 0.0579044800000000, -0.0060954000000000 ] - [ -0.0027088600000000, 0.0026006400000000, 0.0001455100000000 ] - [ -0.0013152600000000, 0.0094406100000000, -0.0014582300000000 ] - [ 0.0164730300000000, 0.0359945400000000, 0.0091810500000000 ] - [ 0.0002077500000000, -0.0035476800000000, -0.0009588700000000 ] - [ -0.0022724500000000, -0.0034062600000000, -0.0029205500000000 ] - [ 0.0010501400000000, -0.0026168100000000, -0.0000611600000000 ] - [ 0.0008433800000000, -0.0040744300000000, -0.0005139300000000 ] - [ -0.0025867800000000, -0.0080476400000000, -0.0016729500000000 ] - [ 0.0013112000000000, -0.0020185000000000, -0.0005289500000000 ] - [ -0.0008576400000000, -0.0021199000000000, -0.0003870400000000 ] - [ -0.0014304600000000, -0.0143160400000000, -0.0069411100000000 ] - [ 0.0000518700000000, 0.0000268300000000, 0.0000654000000000 ] - [ 0.0053300300000000, 0.0118661400000000, 0.0079225600000000 ] - [ 0.0032439000000000, 0.0143523600000000, -0.0023596400000000 ] - [ -0.0043626300000000, 0.0083761300000000, 0.0079443200000000 ] - [ 0.0009052400000000, 0.0004196000000000, -0.0049634500000000 ] - [ -0.0007355600000000, -0.0003997300000000, -0.0002829700000000 ] - [ 0.0044281800000000, 0.0003345000000000, -0.0016776500000000 ] - [ -0.0002041900000000, -0.0002203600000000, -0.0001167000000000 ] - [ -0.0007414200000000, -0.0001612000000000, 0.0005059700000000 ] - [ -0.0001538200000000, 0.0000887100000000, -0.0001971500000000 ] - [ 0.0013650900000000, -0.0003418000000000, 0.0001882800000000 ] - [ 0.0003176500000000, 0.0000897600000000, -0.0000148800000000 ] - [ 0.0003148100000000, -0.0006843500000000, 0.0005618600000000 ] - [ -0.0007475100000000, 0.0000693900000000, 0.0000819000000000 ] - [ 0.0010635700000000, -0.0007746300000000, 0.0014647400000000 ] - [ -0.0001592200000000, -0.0003309900000000, 0.0003067400000000 ] - [ -0.0003966000000000, -0.0002492400000000, 0.0002436100000000 ] - [ -0.0003476200000000, -0.0005708500000000, -0.0010522200000000 ] - [ 0.0003585600000000, -0.0001535500000000, 0.0008401700000000 ] - [ -0.0002996700000000, -0.0002117400000000, -0.0001326400000000 ] - [ 0.0094891300000000, -0.0021860400000000, 0.0078400700000000 ] - [ -0.0004557500000000, -0.0031216600000000, 0.0015710300000000 ] - [ 0.0005841600000000, -0.0014753900000000, -0.0007906700000000 ] - [ 0.0002703400000000, -0.0074644300000000, 0.0054729300000000 ] - [ 0.0001595900000000, 0.0013242400000000, 0.0009142500000000 ] - [ -0.0003658300000000, 0.0046852000000000, 0.0032423900000000 ] - [ -0.0003810800000000, 0.0023137800000000, 0.0012114200000000 ] - [ -0.0003305100000000, 0.0012978200000000, 0.0000467900000000 ] - [ -0.0821618100000000, -0.1403037500000000, -0.0137764500000000 ] - [ 0.0014835100000000, -0.0009934600000000, 0.0002350900000000 ] - [ 0.0047923600000000, -0.0048376500000000, -0.0009965000000000 ] - [ -0.0009021200000000, -0.0044924000000000, -0.0013846000000000 ] - [ -0.0011560100000000, 0.0016566800000000, -0.0005120700000000 ] - [ 0.0004187500000000, 0.0008045800000000, 0.0006029000000000 ] - [ 0.0005826400000000, 0.0014354100000000, 0.0003619600000000 ] - [ 0.0007554600000000, 0.0013640900000000, 0.0006757800000000 ] - [ 0.0053991600000000, 0.0122470000000000, 0.0040786800000000 ] - [ 0.0009406100000000, -0.0000379000000000, -0.0002686400000000 ] - [ -0.0031481400000000, -0.0010591500000000, 0.0006494100000000 ] - [ 0.0031255300000000, 0.0021197400000000, 0.0034641700000000 ] - [ 0.0004039900000000, 0.0007255100000000, -0.0009637400000000 ] - [ 0.0003248900000000, 0.0004708200000000, -0.0001667200000000 ] - [ -0.0021178600000000, 0.0002673000000000, -0.0001903400000000 ] - [ -0.0002129700000000, -0.0000942900000000, 0.0008039900000000 ] - [ -0.0022912200000000, -0.0014600500000000, -0.0012565400000000 ] - [ 0.0140075300000000, 0.0032724200000000, -0.0064276200000000 ] - [ -0.0019650900000000, 0.0028250600000000, -0.0135232000000000 ] - [ 0.0013135300000000, -0.0004301600000000, 0.0009104700000000 ] - [ 0.0002353600000000, 0.0004245600000000, -0.0004671100000000 ] - [ -0.0011384400000000, 0.0008789400000000, 0.0020080500000000 ] - [ -0.0004255100000000, 0.0010914100000000, 0.0003567300000000 ] - [ 0.0010428700000000, 0.0011086800000000, 0.0015445200000000 ] - [ -0.0007657400000000, 0.0011120600000000, -0.0005693700000000 ] - [ 0.0010593100000000, 0.0006906000000000, -0.0001183800000000 ] - [ -0.0017527600000000, 0.0037364300000000, -0.0022178200000000 ] - [ 0.0008626900000000, 0.0003540600000000, -0.0006714100000000 ] - [ 0.0003962700000000, -0.0018370300000000, -0.0012599200000000 ] - [ -0.0006379100000000, -0.0004255600000000, 0.0009439700000000 ] - [ -0.0011429600000000, -0.0009858400000000, -0.0025618000000000 ] - [ -0.0006961700000000, -0.0020213500000000, -0.0003316600000000 ] - [ 0.0044450800000000, 0.0073028300000000, -0.0011509800000000 ] - [ -0.0009368200000000, 0.0002990600000000, 0.0001161800000000 ] - [ 0.0053999700000000, 0.0202054800000000, 0.0129145600000000 ] - [ 0.0013949300000000, -0.0003715000000000, 0.0003905100000000 ] - [ -0.0006530900000000, 0.0006483500000000, 0.0020470900000000 ] - [ -0.0005770600000000, 0.0003205200000000, -0.0000627700000000 ] - [ 0.0007730900000000, 0.0011126200000000, -0.0004671100000000 ] - [ 0.0006041800000000, 0.0001843400000000, 0.0006158600000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0243300700000000, -0.0550061000000000, 0.0046274600000000 ] - [ 0.0015083200000000, -0.0028753500000000, -0.0010419800000000 ] - [ 0.0016554100000000, -0.0079859000000000, 0.0026837000000000 ] - [ -0.0174371100000000, -0.0354219500000000, -0.0089993100000000 ] - [ -0.0013464000000000, 0.0038950900000000, -0.0000035500000000 ] - [ 0.0011228300000000, 0.0037647700000000, 0.0019621700000000 ] - [ -0.0007213000000000, 0.0011424400000000, 0.0012993100000000 ] - [ -0.0005028800000000, 0.0026117800000000, 0.0017652800000000 ] - [ 0.0042038500000000, 0.0094698400000000, 0.0004809400000000 ] - [ 0.0003725100000000, 0.0035081000000000, -0.0006444800000000 ] - [ -0.0004172900000000, 0.0016726000000000, -0.0004714300000000 ] - [ 0.0001741600000000, 0.0139334100000000, 0.0061226600000000 ] - [ 0.0016089200000000, -0.0014940200000000, -0.0012699100000000 ] - [ -0.0036107900000000, -0.0131734100000000, -0.0090770300000000 ] - [ -0.0044266300000000, -0.0138646600000000, 0.0015569000000000 ] - [ 0.0030746600000000, -0.0080048200000000, -0.0088187700000000 ] - [ -0.0014695400000000, -0.0009752600000000, 0.0042447900000000 ] - [ 0.0001607100000000, -0.0001878600000000, -0.0003962200000000 ] - [ -0.0027928200000000, -0.0003931100000000, 0.0016351500000000 ] - [ 0.0018497300000000, 0.0001751700000000, 0.0000718700000000 ] - [ 0.0001689300000000, 0.0007469500000000, -0.0011798500000000 ] - [ -0.0004136000000000, 0.0004993200000000, -0.0004847000000000 ] - [ 0.0002864400000000, 0.0003900600000000, -0.0002383900000000 ] - [ 0.0013352500000000, -0.0000434900000000, -0.0000354500000000 ] - [ -0.0011760400000000, 0.0013875900000000, -0.0004219500000000 ] - [ -0.0001235900000000, 0.0006411800000000, 0.0000540900000000 ] - [ -0.0007571500000000, 0.0009483000000000, -0.0006896500000000 ] - [ 0.0004715200000000, 0.0005029900000000, 0.0004715700000000 ] - [ -0.0004724400000000, -0.0004567600000000, -0.0001058600000000 ] - [ -0.0005191900000000, -0.0001372500000000, 0.0011762500000000 ] - [ -0.0000452900000000, -0.0000211500000000, -0.0000634600000000 ] - [ 0.0006004300000000, 0.0000272400000000, 0.0009003300000000 ] - [ -0.0090710300000000, 0.0019636300000000, -0.0067762500000000 ] - [ 0.0006641700000000, 0.0029342500000000, -0.0007032500000000 ] - [ -0.0013241000000000, 0.0018409700000000, 0.0001244800000000 ] - [ -0.0009801500000000, 0.0078357200000000, -0.0060492400000000 ] - [ 0.0000241200000000, -0.0011406900000000, -0.0000257700000000 ] - [ 0.0005542700000000, -0.0045215500000000, -0.0023663900000000 ] - [ -0.0003691800000000, -0.0026638100000000, -0.0018620900000000 ] - [ -0.0004228400000000, -0.0016616100000000, -0.0007100700000000 ] - [ 0.0800477200000000, 0.1374412500000000, 0.0144293200000000 ] - [ -0.0018408300000000, 0.0005809200000000, -0.0011121300000000 ] - [ -0.0042267200000000, 0.0044466100000000, 0.0012884400000000 ] - [ 0.0015089100000000, 0.0041686700000000, 0.0017152200000000 ] - [ 0.0007817100000000, -0.0012337300000000, -0.0003633800000000 ] - [ -0.0007955500000000, -0.0003792600000000, -0.0014793800000000 ] - [ -0.0000498500000000, -0.0011350800000000, -0.0000394700000000 ] - [ -0.0002215700000000, -0.0010677100000000, -0.0003582400000000 ] - [ -0.0050787800000000, -0.0119071900000000, -0.0043324100000000 ] - [ -0.0006562500000000, -0.0000186500000000, -0.0001493900000000 ] - [ 0.0017756600000000, 0.0016834300000000, 0.0003713300000000 ] - [ -0.0044786000000000, -0.0014728900000000, -0.0024310800000000 ] - [ -0.0001254500000000, -0.0006771000000000, 0.0005448900000000 ] - [ -0.0000494700000000, -0.0004269900000000, -0.0002466700000000 ] - [ 0.0007408300000000, -0.0008891400000000, 0.0012172600000000 ] - [ -0.0011726000000000, -0.0005191600000000, 0.0002157900000000 ] - [ 0.0024221700000000, 0.0013351800000000, 0.0009590100000000 ] - [ -0.0141056900000000, -0.0034520800000000, 0.0062469700000000 ] - [ 0.0027337300000000, -0.0031450100000000, 0.0144816800000000 ] - [ -0.0004567900000000, 0.0000152700000000, 0.0003536400000000 ] - [ -0.0001002000000000, -0.0002975600000000, 0.0001723300000000 ] - [ 0.0012789400000000, -0.0007511800000000, -0.0023205100000000 ] - [ 0.0012583100000000, -0.0006865000000000, 0.0009015100000000 ] - [ -0.0001924900000000, -0.0007038900000000, -0.0002744800000000 ] - [ -0.0004233700000000, -0.0020663300000000, 0.0015886300000000 ] - [ -0.0022206400000000, -0.0016433000000000, 0.0011318800000000 ] - [ 0.0024340800000000, -0.0040999400000000, 0.0011328600000000 ] - [ -0.0001949900000000, -0.0006923200000000, -0.0004187000000000 ] - [ -0.0015716700000000, 0.0027820300000000, 0.0022724400000000 ] - [ -0.0005420300000000, 0.0013731900000000, 0.0000833100000000 ] - [ 0.0018228600000000, 0.0013348800000000, 0.0014694200000000 ] - [ 0.0013537800000000, 0.0023478700000000, -0.0007512800000000 ] - [ -0.0048223900000000, -0.0067787000000000, 0.0012720700000000 ] - [ 0.0005348500000000, 0.0001900800000000, 0.0000174200000000 ] - [ -0.0041067900000000, -0.0210713300000000, -0.0128847900000000 ] - [ -0.0000717200000000, -0.0000643000000000, -0.0001284400000000 ] - [ 0.0002565500000000, -0.0011649400000000, -0.0018844600000000 ] - [ 0.0001820200000000, -0.0008500200000000, 0.0002016800000000 ] - [ 0.0005479400000000, -0.0006563800000000, 0.0007257800000000 ] - [ 0.0007175800000000, 0.0002886700000000, -0.0003599500000000 ]- atom: 41 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ -0.0257720200000000, -0.0269732600000000, 0.0253908200000000 ] - [ 0.0031033200000000, -0.0016172300000000, 0.0019569500000000 ] - [ 0.0062365000000000, -0.0057074900000000, 0.0028568600000000 ] - [ 0.0033758000000000, 0.0066510200000000, 0.0354427600000000 ] - [ -0.0005117300000000, 0.0008414700000000, -0.0011364200000000 ] - [ -0.0014022100000000, 0.0021105600000000, -0.0010510100000000 ] - [ 0.0001840400000000, 0.0009972900000000, 0.0001745700000000 ] - [ 0.0011501900000000, 0.0010000400000000, -0.0002258400000000 ] - [ 0.0002334800000000, 0.0014441400000000, 0.0001307800000000 ] - [ 0.0009289600000000, 0.0008564600000000, -0.0005544300000000 ] - [ -0.0001913700000000, -0.0003305600000000, -0.0006723700000000 ] - [ -0.0005169900000000, 0.0001430500000000, -0.0005519900000000 ] - [ 0.0029418700000000, 0.0002640300000000, -0.0044642500000000 ] - [ -0.0029315500000000, 0.0026483400000000, -0.0087645800000000 ] - [ -0.0077841800000000, 0.0013944400000000, 0.0001196600000000 ] - [ 0.0043072800000000, -0.0014954600000000, -0.0068989000000000 ] - [ -0.0005421700000000, -0.0014275400000000, -0.0011589700000000 ] - [ -0.0001454800000000, -0.0005078100000000, -0.0008948900000000 ] - [ 0.0005934600000000, -0.0010399900000000, -0.0000090600000000 ] - [ 0.0009713300000000, 0.0002302000000000, 0.0002894000000000 ] - [ 0.0000188100000000, 0.0004793700000000, -0.0004615200000000 ] - [ -0.0004341300000000, 0.0003044400000000, -0.0000279100000000 ] - [ 0.0005982000000000, 0.0003059400000000, -0.0002060500000000 ] - [ 0.0006866300000000, -0.0000684200000000, 0.0001297800000000 ] - [ -0.0005781400000000, 0.0004580900000000, 0.0003558200000000 ] - [ -0.0003036300000000, 0.0004755700000000, 0.0000815800000000 ] - [ 0.0001574600000000, 0.0000317400000000, 0.0004865000000000 ] - [ 0.0003021600000000, 0.0002603100000000, 0.0005544200000000 ] - [ -0.0004031900000000, -0.0003513800000000, -0.0002634600000000 ] - [ -0.0006730300000000, -0.0003708900000000, -0.0000494800000000 ] - [ -0.0002277900000000, 0.0001044700000000, -0.0000480700000000 ] - [ -0.0004535900000000, -0.0003746200000000, -0.0011392900000000 ] - [ 0.0043392400000000, 0.0005485200000000, 0.0010743100000000 ] - [ -0.0039929900000000, 0.0015705000000000, 0.0005809100000000 ] - [ -0.0015666800000000, 0.0006349000000000, 0.0010070200000000 ] - [ 0.0071037400000000, 0.0015647500000000, 0.0118954400000000 ] - [ 0.0000310000000000, -0.0000579700000000, 0.0004756200000000 ] - [ 0.0001619600000000, -0.0004167000000000, 0.0004186500000000 ] - [ -0.0003278400000000, -0.0007702600000000, -0.0007224000000000 ] - [ -0.0004871000000000, -0.0007450300000000, -0.0004086600000000 ] - [ 0.0294678100000000, 0.0282262700000000, -0.0678136100000000 ] - [ -0.0021281800000000, -0.0004693600000000, -0.0016690800000000 ] - [ -0.0104321200000000, -0.0025453500000000, 0.0019522300000000 ] - [ -0.0006781500000000, 0.0010124000000000, -0.0034671900000000 ] - [ -0.0000542300000000, -0.0002156800000000, -0.0002161500000000 ] - [ 0.0001308000000000, -0.0003816400000000, -0.0001917400000000 ] - [ 0.0002636300000000, -0.0001875500000000, 0.0002251500000000 ] - [ -0.0001197500000000, -0.0005037500000000, 0.0003947200000000 ] - [ 0.0021471700000000, 0.0063829800000000, -0.0006792000000000 ] - [ -0.0004202900000000, 0.0004932900000000, -0.0001389600000000 ] - [ -0.0009268400000000, 0.0014181400000000, 0.0005598700000000 ] - [ 0.0007127700000000, 0.0011114200000000, 0.0001947300000000 ] - [ -0.0002743900000000, -0.0002141700000000, 0.0002141500000000 ] - [ 0.0005082800000000, -0.0004653500000000, -0.0002136500000000 ] - [ -0.0001614700000000, -0.0007895200000000, 0.0007233700000000 ] - [ -0.0009014500000000, -0.0006300800000000, 0.0005745200000000 ] - [ -0.0002347000000000, 0.0008549200000000, -0.0026510100000000 ] - [ -0.0102846500000000, -0.0057364400000000, 0.0024914700000000 ] - [ 0.0008722700000000, -0.0047566100000000, 0.0044378300000000 ] - [ -0.0001886600000000, -0.0004056500000000, 0.0007853700000000 ] - [ -0.0001088100000000, -0.0000864300000000, 0.0003636900000000 ] - [ -0.0001517800000000, -0.0001148600000000, 0.0001210200000000 ] - [ 0.0004196000000000, 0.0001850300000000, 0.0009172400000000 ] - [ 0.0006669500000000, 0.0000422600000000, 0.0009438100000000 ] - [ -0.0004477600000000, -0.0004615400000000, 0.0003429400000000 ] - [ -0.0005694400000000, -0.0007333900000000, 0.0004472900000000 ] - [ 0.0003736000000000, -0.0002562900000000, -0.0004696500000000 ] - [ 0.0001576700000000, -0.0001679800000000, -0.0006690100000000 ] - [ -0.0017018300000000, 0.0010144300000000, 0.0025526200000000 ] - [ -0.0011849000000000, 0.0010321700000000, 0.0013883000000000 ] - [ 0.0001403300000000, 0.0002286300000000, 0.0020810200000000 ] - [ 0.0041106000000000, 0.0009224100000000, 0.0023549000000000 ] - [ -0.0017516200000000, -0.0030628600000000, -0.0007341100000000 ] - [ -0.0002126800000000, 0.0007013200000000, -0.0004004400000000 ] - [ 0.0032818800000000, 0.0008417500000000, -0.0017811800000000 ] - [ 0.0001663700000000, 0.0000519800000000, -0.0001765300000000 ] - [ -0.0003598800000000, -0.0006380100000000, 0.0005433200000000 ] - [ -0.0000341600000000, -0.0017292700000000, 0.0013741000000000 ] - [ 0.0003061300000000, -0.0010763700000000, 0.0009921100000000 ] - [ 0.0014222700000000, -0.0019562800000000, 0.0005834300000000 ]- atom: 41 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ 0.0249830000000000, 0.0273550700000000, -0.0259811900000000 ] - [ -0.0042916800000000, 0.0012917500000000, -0.0028652000000000 ] - [ -0.0059203700000000, 0.0071985200000000, -0.0016184500000000 ] - [ -0.0030850300000000, -0.0051462800000000, -0.0337812300000000 ] - [ -0.0006282200000000, -0.0004936400000000, 0.0001838600000000 ] - [ 0.0002504000000000, -0.0017660600000000, 0.0000868600000000 ] - [ 0.0001647400000000, -0.0024339300000000, 0.0010683300000000 ] - [ -0.0007994600000000, -0.0024474400000000, 0.0014622800000000 ] - [ 0.0014403200000000, 0.0000257600000000, -0.0013088200000000 ] - [ 0.0007385900000000, 0.0006289100000000, -0.0006195100000000 ] - [ -0.0010804900000000, -0.0000972200000000, -0.0001875600000000 ] - [ -0.0007576400000000, -0.0006255600000000, -0.0003404600000000 ] - [ -0.0012878100000000, -0.0017614300000000, 0.0032919800000000 ] - [ 0.0046223400000000, -0.0041130700000000, 0.0075889200000000 ] - [ 0.0064856100000000, -0.0009246000000000, -0.0009987000000000 ] - [ -0.0055888400000000, 0.0019190900000000, 0.0060379300000000 ] - [ -0.0000259100000000, 0.0008412000000000, 0.0004796300000000 ] - [ -0.0004264900000000, -0.0000813400000000, 0.0002139400000000 ] - [ 0.0010694900000000, 0.0009976800000000, -0.0000453400000000 ] - [ 0.0006746300000000, -0.0002804600000000, -0.0003363700000000 ] - [ -0.0005895900000000, 0.0001065700000000, -0.0002158400000000 ] - [ -0.0001355500000000, 0.0002825700000000, -0.0006529300000000 ] - [ 0.0010509800000000, -0.0002574100000000, 0.0001571900000000 ] - [ 0.0009575000000000, 0.0001175700000000, -0.0001768600000000 ] - [ -0.0002890000000000, 0.0002494000000000, -0.0002201800000000 ] - [ -0.0005665200000000, 0.0002328800000000, 0.0000543400000000 ] - [ 0.0001587700000000, 0.0001390400000000, 0.0002982500000000 ] - [ 0.0000088800000000, -0.0000869900000000, 0.0002240200000000 ] - [ -0.0004648400000000, -0.0003578100000000, 0.0003999800000000 ] - [ -0.0001941400000000, -0.0003394600000000, 0.0001823500000000 ] - [ 0.0005386800000000, -0.0002780300000000, 0.0008299600000000 ] - [ 0.0007625600000000, 0.0002019800000000, 0.0019202500000000 ] - [ -0.0040668300000000, -0.0007139400000000, -0.0001214800000000 ] - [ 0.0041439500000000, -0.0017352400000000, 0.0003064100000000 ] - [ 0.0008242800000000, -0.0002705500000000, -0.0016777700000000 ] - [ -0.0079493800000000, -0.0012607700000000, -0.0127712400000000 ] - [ 0.0001520500000000, 0.0002381800000000, 0.0004105400000000 ] - [ 0.0000197100000000, 0.0006151300000000, 0.0004820700000000 ] - [ -0.0004240100000000, 0.0004038200000000, 0.0000578200000000 ] - [ -0.0002647800000000, 0.0003765300000000, -0.0002561100000000 ] - [ -0.0301465200000000, -0.0295910000000000, 0.0662894300000000 ] - [ 0.0017711500000000, 0.0000529800000000, 0.0007954200000000 ] - [ 0.0111969300000000, 0.0022927200000000, -0.0017135300000000 ] - [ 0.0012623400000000, -0.0013114000000000, 0.0037810800000000 ] - [ -0.0003220700000000, 0.0006374400000000, -0.0006583500000000 ] - [ -0.0004991200000000, 0.0007985300000000, -0.0006768800000000 ] - [ 0.0002692900000000, 0.0004849900000000, 0.0000948600000000 ] - [ 0.0006534500000000, 0.0008021000000000, -0.0000727400000000 ] - [ -0.0019090400000000, -0.0063804300000000, 0.0002818000000000 ] - [ 0.0007004900000000, -0.0005389400000000, -0.0002785100000000 ] - [ -0.0004633500000000, -0.0008068100000000, 0.0004604800000000 ] - [ -0.0020611800000000, -0.0004701100000000, 0.0008463200000000 ] - [ 0.0005518600000000, 0.0002655300000000, -0.0006316800000000 ] - [ -0.0002313700000000, 0.0005173800000000, -0.0002015600000000 ] - [ -0.0012214900000000, 0.0001671400000000, 0.0002971500000000 ] - [ -0.0004771200000000, 0.0000087200000000, 0.0004483800000000 ] - [ 0.0003653100000000, -0.0009874800000000, 0.0023503800000000 ] - [ 0.0102761900000000, 0.0055097800000000, -0.0027242700000000 ] - [ -0.0000727000000000, 0.0044507300000000, -0.0032627200000000 ] - [ 0.0010432900000000, 0.0000012400000000, 0.0004762600000000 ] - [ 0.0002405300000000, 0.0002087600000000, -0.0006558100000000 ] - [ 0.0002771500000000, 0.0002383300000000, -0.0004024300000000 ] - [ 0.0004185700000000, 0.0002185500000000, 0.0003379200000000 ] - [ 0.0001731900000000, 0.0003621800000000, 0.0003138000000000 ] - [ -0.0007300600000000, -0.0004926200000000, 0.0006718300000000 ] - [ -0.0006099300000000, -0.0002223200000000, 0.0005717300000000 ] - [ 0.0002865300000000, -0.0000691700000000, -0.0006253100000000 ] - [ 0.0005138600000000, -0.0001733500000000, -0.0004200600000000 ] - [ 0.0005227900000000, -0.0000581900000000, -0.0015341200000000 ] - [ 0.0000069400000000, -0.0000728100000000, -0.0003652300000000 ] - [ 0.0005145500000000, 0.0001095300000000, -0.0031497100000000 ] - [ -0.0034185400000000, -0.0005728300000000, -0.0034401400000000 ] - [ 0.0013505000000000, 0.0035631100000000, 0.0008711500000000 ] - [ -0.0001788800000000, -0.0001979700000000, 0.0005377500000000 ] - [ -0.0019404500000000, -0.0012415600000000, 0.0020760200000000 ] - [ 0.0011580500000000, -0.0004992400000000, 0.0004346900000000 ] - [ -0.0000351300000000, 0.0001326200000000, -0.0004035200000000 ] - [ -0.0003615100000000, 0.0012243900000000, -0.0012360100000000 ] - [ 0.0010131300000000, 0.0015164500000000, -0.0007286600000000 ] - [ -0.0000975200000000, 0.0023726400000000, -0.0003168800000000 ]- atom: 43 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ 0.0406505200000000, -0.0203117300000000, -0.0215923700000000 ] - [ -0.0120825700000000, -0.0084202000000000, -0.0014124900000000 ] - [ 0.0374607700000000, -0.0246788100000000, -0.0007753200000000 ] - [ -0.0124055400000000, -0.0071422000000000, -0.0042954000000000 ] - [ 0.0015269400000000, -0.0014455000000000, -0.0003138600000000 ] - [ -0.0010431500000000, 0.0023204400000000, -0.0003551800000000 ] - [ -0.0017726700000000, 0.0003456100000000, 0.0024973400000000 ] - [ 0.0014259200000000, 0.0006416900000000, 0.0005148800000000 ] - [ 0.0013026400000000, 0.0072346400000000, 0.0036941000000000 ] - [ 0.0000599700000000, 0.0000716500000000, -0.0008366100000000 ] - [ -0.0011726500000000, 0.0040185800000000, 0.0000556700000000 ] - [ -0.0008205500000000, -0.0002817700000000, -0.0012437500000000 ] - [ 0.0009799600000000, -0.0152848400000000, 0.0109101500000000 ] - [ -0.0043727600000000, -0.0031094900000000, -0.0105481300000000 ] - [ 0.0013249200000000, -0.0080196100000000, 0.0013605000000000 ] - [ -0.0025836600000000, 0.0027492000000000, -0.0017845400000000 ] - [ -0.0006886900000000, -0.0000453200000000, 0.0011201400000000 ] - [ 0.0001162000000000, -0.0002528700000000, -0.0015404700000000 ] - [ 0.0039503900000000, -0.0015341900000000, -0.0012561100000000 ] - [ -0.0005717500000000, 0.0005104600000000, 0.0000770200000000 ] - [ 0.0003380400000000, 0.0008950100000000, -0.0019725900000000 ] - [ -0.0009142200000000, 0.0002584900000000, 0.0000763700000000 ] - [ 0.0005755500000000, 0.0000622100000000, 0.0002952500000000 ] - [ 0.0009006200000000, 0.0001384100000000, -0.0002652500000000 ] - [ -0.0009966600000000, 0.0007637500000000, 0.0002606200000000 ] - [ 0.0006961500000000, 0.0003001700000000, -0.0002363100000000 ] - [ 0.0004406300000000, 0.0002692800000000, 0.0002774800000000 ] - [ -0.0000856600000000, 0.0003108800000000, 0.0001990600000000 ] - [ -0.0000155000000000, -0.0002017500000000, -0.0002618400000000 ] - [ -0.0006722700000000, -0.0007978700000000, 0.0006486900000000 ] - [ 0.0010610000000000, 0.0003052100000000, 0.0020665300000000 ] - [ -0.0002396800000000, -0.0002938400000000, 0.0000513900000000 ] - [ -0.0019425600000000, 0.0034114800000000, -0.0047335700000000 ] - [ 0.0025032300000000, 0.0005454300000000, 0.0016738300000000 ] - [ 0.0112944600000000, -0.0039021200000000, -0.0119668800000000 ] - [ 0.0037817100000000, 0.0021082400000000, 0.0014084900000000 ] - [ -0.0000201000000000, -0.0006258100000000, -0.0000941900000000 ] - [ 0.0001999100000000, -0.0005140300000000, 0.0006083700000000 ] - [ -0.0005119800000000, -0.0022794400000000, -0.0018178900000000 ] - [ -0.0003901400000000, -0.0003435500000000, -0.0003127600000000 ] - [ 0.0127545200000000, 0.0042252800000000, -0.0052036100000000 ] - [ 0.0123739800000000, -0.0014438200000000, 0.0058135200000000 ] - [ -0.1179140700000000, 0.0833483600000000, 0.0382313000000000 ] - [ 0.0058267600000000, -0.0018084400000000, -0.0007870400000000 ] - [ -0.0003791200000000, -0.0001072500000000, -0.0005523400000000 ] - [ 0.0002817400000000, -0.0002764100000000, -0.0006089100000000 ] - [ 0.0011822800000000, 0.0007818900000000, -0.0007348600000000 ] - [ -0.0004530100000000, -0.0006989000000000, 0.0004118000000000 ] - [ 0.0039549700000000, -0.0038844900000000, -0.0042856800000000 ] - [ -0.0001099600000000, 0.0014868200000000, 0.0014763400000000 ] - [ -0.0051045200000000, -0.0022170300000000, 0.0018024700000000 ] - [ 0.0014012300000000, 0.0005470600000000, 0.0004714800000000 ] - [ -0.0013499700000000, 0.0002203800000000, 0.0013299800000000 ] - [ 0.0010721800000000, -0.0002696200000000, -0.0005399200000000 ] - [ -0.0003194600000000, -0.0001993300000000, 0.0000471500000000 ] - [ -0.0008498900000000, -0.0007329500000000, 0.0008076700000000 ] - [ -0.0044415700000000, 0.0019657500000000, 0.0032745800000000 ] - [ 0.0032740600000000, 0.0005354400000000, -0.0015623200000000 ] - [ 0.0100913300000000, -0.0048756400000000, 0.0052986600000000 ] - [ 0.0054434900000000, 0.0036190800000000, -0.0003763800000000 ] - [ 0.0006579400000000, -0.0004719700000000, -0.0009665800000000 ] - [ -0.0007032400000000, -0.0002888900000000, 0.0004183900000000 ] - [ 0.0001747300000000, 0.0002832900000000, 0.0003381700000000 ] - [ -0.0000888700000000, -0.0001053500000000, -0.0003374200000000 ] - [ 0.0003027500000000, -0.0004455100000000, 0.0002713900000000 ] - [ -0.0022263100000000, -0.0024449100000000, 0.0010109900000000 ] - [ 0.0002521000000000, -0.0005756100000000, -0.0000011300000000 ] - [ 0.0009670200000000, -0.0008693000000000, -0.0002349900000000 ] - [ -0.0020082800000000, 0.0010315100000000, 0.0031541400000000 ] - [ 0.0035198700000000, 0.0017284100000000, -0.0026068100000000 ] - [ -0.0008834700000000, -0.0003870600000000, -0.0027947100000000 ] - [ 0.0011492300000000, 0.0015561500000000, 0.0005059500000000 ] - [ -0.0011112300000000, -0.0061053700000000, -0.0035421000000000 ] - [ 0.0012841200000000, 0.0011440900000000, 0.0001687700000000 ] - [ 0.0000136000000000, 0.0020975000000000, 0.0010069300000000 ] - [ 0.0040645000000000, -0.0063209100000000, 0.0001187100000000 ] - [ -0.0000760600000000, 0.0039912300000000, -0.0022245500000000 ] - [ -0.0001881900000000, -0.0016670100000000, 0.0011898400000000 ] - [ 0.0005423700000000, -0.0007633900000000, -0.0001860700000000 ] - [ 0.0003356500000000, 0.0006210400000000, 0.0002168100000000 ]- atom: 43 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ -0.0434240900000000, 0.0217605700000000, 0.0223969300000000 ] - [ 0.0109242600000000, 0.0080075000000000, 0.0004588200000000 ] - [ -0.0358757100000000, 0.0241374300000000, 0.0022832000000000 ] - [ 0.0128088300000000, 0.0086791100000000, 0.0056146200000000 ] - [ -0.0026837100000000, 0.0018017400000000, -0.0006422100000000 ] - [ -0.0000890900000000, -0.0019905200000000, -0.0005868300000000 ] - [ 0.0021050900000000, -0.0018109400000000, -0.0012458900000000 ] - [ -0.0010783500000000, -0.0020931400000000, 0.0007254900000000 ] - [ 0.0003839000000000, -0.0057726200000000, -0.0048840700000000 ] - [ 0.0016096000000000, 0.0013973200000000, -0.0003495600000000 ] - [ -0.0000785500000000, -0.0044754900000000, -0.0009160000000000 ] - [ -0.0004576900000000, -0.0001449100000000, 0.0003907700000000 ] - [ 0.0007863100000000, 0.0137663900000000, -0.0120987300000000 ] - [ 0.0060622600000000, 0.0016725800000000, 0.0094754900000000 ] - [ -0.0026478000000000, 0.0084721700000000, -0.0021647600000000 ] - [ 0.0012949600000000, -0.0022945600000000, 0.0008754200000000 ] - [ 0.0001224700000000, -0.0005480600000000, -0.0018021300000000 ] - [ -0.0006851100000000, -0.0003339100000000, 0.0008613200000000 ] - [ -0.0023455900000000, 0.0014615300000000, 0.0012126400000000 ] - [ 0.0022283100000000, -0.0005547100000000, -0.0001282300000000 ] - [ -0.0009137500000000, -0.0003076200000000, 0.0012960300000000 ] - [ 0.0003452100000000, 0.0003258500000000, -0.0007551000000000 ] - [ 0.0010684700000000, -0.0000120600000000, -0.0003433400000000 ] - [ 0.0007553700000000, -0.0000922900000000, 0.0002187700000000 ] - [ 0.0001281600000000, -0.0000584900000000, -0.0001273900000000 ] - [ -0.0015677400000000, 0.0004059200000000, 0.0003737100000000 ] - [ -0.0001333600000000, -0.0000980300000000, 0.0004998000000000 ] - [ 0.0003985600000000, -0.0001376500000000, 0.0005803000000000 ] - [ -0.0008532600000000, -0.0005085400000000, 0.0003965600000000 ] - [ -0.0001944300000000, 0.0000944400000000, -0.0005091700000000 ] - [ -0.0007416200000000, -0.0004752400000000, -0.0012861900000000 ] - [ 0.0005538500000000, 0.0001229300000000, 0.0007342200000000 ] - [ 0.0022130400000000, -0.0036277600000000, 0.0056154400000000 ] - [ -0.0023099000000000, -0.0007184800000000, -0.0007714200000000 ] - [ -0.0117002800000000, 0.0040981200000000, 0.0109772400000000 ] - [ -0.0045756700000000, -0.0017641500000000, -0.0021128600000000 ] - [ 0.0002033100000000, 0.0008132800000000, 0.0009847400000000 ] - [ -0.0000166600000000, 0.0006994900000000, 0.0002770500000000 ] - [ -0.0002388700000000, 0.0019157100000000, 0.0011512400000000 ] - [ -0.0003619600000000, -0.0000195600000000, -0.0003482700000000 ] - [ -0.0134135100000000, -0.0047849100000000, 0.0044898300000000 ] - [ -0.0125246200000000, 0.0009819000000000, -0.0065272800000000 ] - [ 0.1187080300000000, -0.0834633700000000, -0.0398127200000000 ] - [ -0.0053022500000000, 0.0015161900000000, 0.0010982200000000 ] - [ 0.0000076300000000, 0.0005268700000000, -0.0003198800000000 ] - [ -0.0006616500000000, 0.0007050700000000, -0.0002693600000000 ] - [ -0.0006479800000000, -0.0004872300000000, 0.0010535000000000 ] - [ 0.0009869400000000, 0.0010009800000000, -0.0000927800000000 ] - [ -0.0036683500000000, 0.0038303500000000, 0.0038555300000000 ] - [ 0.0003838300000000, -0.0015278000000000, -0.0018895700000000 ] - [ 0.0036391900000000, 0.0029405000000000, -0.0007812900000000 ] - [ -0.0027911000000000, 0.0000619600000000, 0.0005469400000000 ] - [ 0.0016293500000000, -0.0001683900000000, -0.0017480600000000 ] - [ -0.0008002000000000, 0.0003261300000000, 0.0001180000000000 ] - [ -0.0010536500000000, -0.0004212600000000, 0.0009746100000000 ] - [ -0.0005391900000000, 0.0001146100000000, 0.0002119300000000 ] - [ 0.0045469900000000, -0.0020584800000000, -0.0036015700000000 ] - [ -0.0031607900000000, -0.0006768100000000, 0.0012816200000000 ] - [ -0.0095276700000000, 0.0046302200000000, -0.0042080300000000 ] - [ -0.0045522200000000, -0.0039634000000000, 0.0015949000000000 ] - [ -0.0005260700000000, 0.0005970200000000, 0.0006734000000000 ] - [ 0.0008402900000000, 0.0004146500000000, -0.0007145200000000 ] - [ 0.0006695600000000, 0.0001202700000000, 0.0009244000000000 ] - [ 0.0009224000000000, 0.0005107000000000, 0.0015900200000000 ] - [ -0.0014813100000000, -0.0005085700000000, 0.0007491200000000 ] - [ 0.0010544300000000, 0.0015050100000000, 0.0000043200000000 ] - [ 0.0004234800000000, 0.0002338500000000, -0.0010860700000000 ] - [ -0.0003085700000000, 0.0005318500000000, -0.0008594800000000 ] - [ 0.0008495300000000, -0.0000779200000000, -0.0021396000000000 ] - [ -0.0046953400000000, -0.0007693900000000, 0.0036074100000000 ] - [ 0.0015590700000000, 0.0007327400000000, 0.0017145200000000 ] - [ -0.0004913500000000, -0.0012281000000000, -0.0016150300000000 ] - [ 0.0007921700000000, 0.0066738000000000, 0.0036958400000000 ] - [ -0.0016766200000000, -0.0006212000000000, -0.0000227900000000 ] - [ 0.0013241100000000, -0.0025626000000000, -0.0007587500000000 ] - [ -0.0027738400000000, 0.0058944300000000, 0.0001417900000000 ] - [ -0.0003222200000000, -0.0045194300000000, 0.0023711500000000 ] - [ -0.0002090400000000, 0.0011677800000000, -0.0010619300000000 ] - [ 0.0007802900000000, 0.0011957700000000, 0.0004543400000000 ] - [ 0.0009914700000000, -0.0001671000000000, 0.0000296300000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0230684600000000, 0.0394594700000000, 0.0130413900000000 ] - [ 0.0011312900000000, 0.0083301600000000, -0.0031608200000000 ] - [ -0.0202416700000000, 0.0536062100000000, -0.0048554800000000 ] - [ 0.0019539000000000, 0.0043356000000000, 0.0013637300000000 ] - [ -0.0013079600000000, -0.0020952700000000, -0.0007229200000000 ] - [ -0.0014559700000000, -0.0028632800000000, -0.0016792900000000 ] - [ 0.0013883700000000, -0.0049012000000000, -0.0022107200000000 ] - [ -0.0002259200000000, -0.0038765900000000, -0.0001565500000000 ] - [ 0.0004945800000000, -0.0125797000000000, -0.0093811800000000 ] - [ 0.0011800600000000, -0.0008271000000000, -0.0004942600000000 ] - [ 0.0022168500000000, -0.0092152400000000, -0.0012088900000000 ] - [ -0.0009585700000000, -0.0037156700000000, -0.0004585300000000 ] - [ -0.0029159500000000, 0.0138908500000000, -0.0032449200000000 ] - [ 0.0041289000000000, 0.0065395800000000, 0.0069270700000000 ] - [ -0.0052382100000000, 0.0124302600000000, 0.0077630700000000 ] - [ 0.0000897400000000, 0.0003859200000000, 0.0006036800000000 ] - [ -0.0000634700000000, -0.0002892600000000, -0.0008827000000000 ] - [ -0.0005878600000000, -0.0002231600000000, 0.0001748100000000 ] - [ -0.0058078900000000, -0.0015977400000000, 0.0014599900000000 ] - [ 0.0021079600000000, -0.0001643600000000, -0.0002308500000000 ] - [ -0.0007131000000000, -0.0007372700000000, 0.0022717400000000 ] - [ -0.0000182800000000, 0.0000871200000000, -0.0005205500000000 ] - [ 0.0011363200000000, -0.0000250900000000, -0.0003157300000000 ] - [ 0.0011080600000000, -0.0004260800000000, 0.0003793300000000 ] - [ 0.0000516300000000, -0.0000821100000000, -0.0000283700000000 ] - [ -0.0020414900000000, -0.0002206500000000, 0.0003541700000000 ] - [ -0.0002169500000000, -0.0007504800000000, 0.0009059000000000 ] - [ 0.0003692900000000, -0.0002890800000000, 0.0006625200000000 ] - [ -0.0004731000000000, -0.0003833100000000, 0.0005390900000000 ] - [ 0.0000023900000000, -0.0004480100000000, -0.0001351700000000 ] - [ -0.0001163300000000, -0.0001092200000000, -0.0012779000000000 ] - [ 0.0002819700000000, -0.0000607100000000, 0.0003554000000000 ] - [ -0.0002019000000000, -0.0085039500000000, 0.0059537700000000 ] - [ -0.0009348500000000, -0.0015528300000000, -0.0000659100000000 ] - [ -0.0095150600000000, -0.0013344000000000, 0.0074043300000000 ] - [ 0.0002143200000000, -0.0028779600000000, 0.0009157300000000 ] - [ 0.0002372000000000, 0.0026684100000000, 0.0020317600000000 ] - [ -0.0000075700000000, 0.0017472500000000, 0.0008904100000000 ] - [ 0.0002639200000000, 0.0047241700000000, 0.0025342000000000 ] - [ -0.0004345000000000, 0.0008388700000000, -0.0000288400000000 ] - [ 0.0014756200000000, -0.0048426000000000, -0.0022915400000000 ] - [ -0.0048197300000000, -0.0044956500000000, -0.0018053500000000 ] - [ 0.0829879800000000, -0.1418875200000000, -0.0201310500000000 ] - [ -0.0013924100000000, -0.0010250500000000, 0.0008966100000000 ] - [ -0.0005811000000000, 0.0014945300000000, -0.0002810400000000 ] - [ -0.0006005500000000, 0.0014256300000000, 0.0000762100000000 ] - [ -0.0003756500000000, 0.0009790200000000, 0.0013884100000000 ] - [ 0.0011156900000000, 0.0014637700000000, 0.0001741700000000 ] - [ -0.0035248600000000, 0.0017876400000000, 0.0030332900000000 ] - [ 0.0009707500000000, -0.0009665500000000, -0.0005933400000000 ] - [ -0.0045472200000000, 0.0168898200000000, 0.0019435600000000 ] - [ -0.0018146100000000, 0.0001242500000000, 0.0006041200000000 ] - [ 0.0016372300000000, 0.0002931000000000, -0.0023711000000000 ] - [ -0.0001631200000000, 0.0004195600000000, -0.0000132700000000 ] - [ -0.0011063100000000, 0.0001567600000000, 0.0008171100000000 ] - [ -0.0010105300000000, 0.0003762100000000, 0.0002305900000000 ] - [ 0.0023000600000000, 0.0016956800000000, -0.0122085100000000 ] - [ -0.0006750500000000, -0.0003439600000000, -0.0001969200000000 ] - [ -0.0114158000000000, 0.0028565200000000, -0.0052515000000000 ] - [ 0.0034546400000000, -0.0013150100000000, -0.0001956800000000 ] - [ -0.0004500700000000, 0.0010214200000000, 0.0007445600000000 ] - [ 0.0008653500000000, 0.0010439800000000, -0.0001878500000000 ] - [ 0.0001798200000000, 0.0005305900000000, 0.0002554200000000 ] - [ 0.0017607600000000, 0.0006693700000000, 0.0026206300000000 ] - [ -0.0011998500000000, 0.0000388300000000, 0.0003334500000000 ] - [ 0.0016860100000000, 0.0032805600000000, -0.0001106200000000 ] - [ 0.0002238900000000, 0.0013583900000000, -0.0017344300000000 ] - [ -0.0010634600000000, 0.0012175000000000, -0.0013770700000000 ] - [ 0.0005216700000000, -0.0008100200000000, -0.0014883300000000 ] - [ 0.0001459700000000, -0.0016006000000000, 0.0007031400000000 ] - [ 0.0003974000000000, -0.0008758200000000, -0.0001439200000000 ] - [ -0.0009086400000000, -0.0019507100000000, -0.0023051700000000 ] - [ -0.0058379500000000, 0.0225663100000000, 0.0117969100000000 ] - [ -0.0006857500000000, 0.0000066000000000, 0.0006169300000000 ] - [ 0.0032726500000000, 0.0000308700000000, -0.0003303600000000 ] - [ -0.0051257800000000, 0.0068369800000000, 0.0004086300000000 ] - [ 0.0001643000000000, -0.0000608800000000, 0.0006811100000000 ] - [ -0.0000668200000000, 0.0002901200000000, -0.0000914900000000 ] - [ 0.0007160100000000, 0.0008824700000000, 0.0010300000000000 ] - [ 0.0016777600000000, 0.0015437700000000, -0.0007188500000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0204964000000000, -0.0388937700000000, -0.0128268500000000 ] - [ -0.0022731400000000, -0.0086899700000000, 0.0022279900000000 ] - [ 0.0233097800000000, -0.0552931500000000, 0.0066258300000000 ] - [ -0.0016579500000000, -0.0029646000000000, -0.0001713400000000 ] - [ 0.0001445400000000, 0.0024749700000000, -0.0002115400000000 ] - [ 0.0003117100000000, 0.0032269600000000, 0.0007247200000000 ] - [ -0.0010575000000000, 0.0034468900000000, 0.0034692500000000 ] - [ 0.0005739700000000, 0.0024271800000000, 0.0014162700000000 ] - [ 0.0011969800000000, 0.0140083000000000, 0.0081346900000000 ] - [ 0.0004869300000000, 0.0023292000000000, -0.0006857500000000 ] - [ -0.0035396300000000, 0.0088365200000000, 0.0003602300000000 ] - [ -0.0003045800000000, 0.0032865800000000, -0.0004031200000000 ] - [ 0.0046793200000000, -0.0154274900000000, 0.0019982800000000 ] - [ -0.0024663100000000, -0.0079647000000000, -0.0080825700000000 ] - [ 0.0040102900000000, -0.0121543700000000, -0.0086504400000000 ] - [ -0.0013698200000000, 0.0000315000000000, -0.0014410000000000 ] - [ -0.0005069700000000, -0.0002978600000000, 0.0002025600000000 ] - [ 0.0000192600000000, -0.0003629800000000, -0.0008540800000000 ] - [ 0.0075156600000000, 0.0015461000000000, -0.0015270100000000 ] - [ -0.0004728800000000, 0.0001166200000000, 0.0001836500000000 ] - [ 0.0001422200000000, 0.0013217400000000, -0.0029413700000000 ] - [ -0.0005498300000000, 0.0005001900000000, -0.0001613100000000 ] - [ 0.0005113900000000, 0.0000730700000000, 0.0002695600000000 ] - [ 0.0005422100000000, 0.0004758000000000, -0.0004323300000000 ] - [ -0.0009189800000000, 0.0007923900000000, 0.0001625300000000 ] - [ 0.0011620800000000, 0.0009268700000000, -0.0002174500000000 ] - [ 0.0005324300000000, 0.0009264500000000, -0.0001307500000000 ] - [ -0.0000589600000000, 0.0004611900000000, 0.0001127500000000 ] - [ -0.0003943700000000, -0.0003236200000000, -0.0004012400000000 ] - [ -0.0008759900000000, -0.0002487000000000, 0.0002779200000000 ] - [ 0.0004326300000000, -0.0000664000000000, 0.0020715300000000 ] - [ 0.0000279900000000, -0.0001131300000000, 0.0004222300000000 ] - [ 0.0004245400000000, 0.0083134700000000, -0.0051484800000000 ] - [ 0.0011286900000000, 0.0013735100000000, 0.0009533800000000 ] - [ 0.0090088000000000, 0.0017313200000000, -0.0082607800000000 ] - [ -0.0009436100000000, 0.0032524600000000, -0.0015645100000000 ] - [ -0.0000525300000000, -0.0025051600000000, -0.0011598200000000 ] - [ 0.0001890100000000, -0.0015718800000000, -0.0000063000000000 ] - [ -0.0010094100000000, -0.0050755000000000, -0.0031926300000000 ] - [ -0.0003170500000000, -0.0012083400000000, -0.0006366000000000 ] - [ -0.0017857400000000, 0.0044410200000000, 0.0014027800000000 ] - [ 0.0044755000000000, 0.0041660000000000, 0.0009597400000000 ] - [ -0.0840137200000000, 0.1438977800000000, 0.0189185200000000 ] - [ 0.0019386200000000, 0.0007232500000000, -0.0005751300000000 ] - [ 0.0002059400000000, -0.0010759900000000, -0.0005990100000000 ] - [ 0.0002283700000000, -0.0010062100000000, -0.0009517200000000 ] - [ 0.0009042900000000, -0.0006901700000000, -0.0010685100000000 ] - [ -0.0005840200000000, -0.0011699100000000, 0.0001446800000000 ] - [ 0.0038193900000000, -0.0018690300000000, -0.0034653500000000 ] - [ -0.0006937900000000, 0.0009136700000000, 0.0001734000000000 ] - [ 0.0031767600000000, -0.0167552100000000, -0.0010748500000000 ] - [ 0.0004453000000000, 0.0005018800000000, 0.0004160200000000 ] - [ -0.0013516800000000, -0.0002384100000000, 0.0019370400000000 ] - [ 0.0004370400000000, -0.0003728900000000, -0.0004016900000000 ] - [ -0.0002737100000000, -0.0007719600000000, 0.0002004700000000 ] - [ -0.0003710300000000, -0.0009939900000000, 0.0007912100000000 ] - [ -0.0022151400000000, -0.0018857800000000, 0.0121595300000000 ] - [ 0.0008239600000000, 0.0002331000000000, -0.0001013700000000 ] - [ 0.0120443700000000, -0.0032111000000000, 0.0064033100000000 ] - [ -0.0026180600000000, 0.0009096400000000, 0.0014551200000000 ] - [ 0.0005924100000000, -0.0008991300000000, -0.0010519600000000 ] - [ -0.0007391100000000, -0.0009227100000000, -0.0001101000000000 ] - [ 0.0006641300000000, -0.0001321300000000, 0.0010026900000000 ] - [ -0.0009154200000000, -0.0002724100000000, -0.0013506900000000 ] - [ 0.0000191000000000, -0.0010000900000000, 0.0006865500000000 ] - [ -0.0028478600000000, -0.0042087600000000, 0.0011327400000000 ] - [ 0.0004398000000000, -0.0017053100000000, 0.0006483800000000 ] - [ 0.0017508300000000, -0.0015641500000000, 0.0002958000000000 ] - [ -0.0016882000000000, 0.0017597900000000, 0.0025112800000000 ] - [ -0.0013419400000000, 0.0025712500000000, 0.0003116500000000 ] - [ 0.0002694700000000, 0.0012292800000000, -0.0009529300000000 ] - [ 0.0015828200000000, 0.0023025700000000, 0.0012211600000000 ] - [ 0.0053873000000000, -0.0215481600000000, -0.0114441000000000 ] - [ 0.0002903000000000, 0.0004935700000000, -0.0004811200000000 ] - [ -0.0019757500000000, -0.0004594200000000, 0.0006001000000000 ] - [ 0.0064762800000000, -0.0072959700000000, -0.0001400400000000 ] - [ -0.0005539900000000, -0.0004866500000000, -0.0005372800000000 ] - [ -0.0003270100000000, -0.0008120000000000, 0.0002306700000000 ] - [ 0.0006045800000000, -0.0004284500000000, -0.0007829300000000 ] - [ -0.0003577000000000, -0.0010844800000000, 0.0009798400000000 ]- atom: 43 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ -0.0492697800000000, 0.0289015200000000, 0.0587652400000000 ] - [ 0.0051778900000000, 0.0015504600000000, 0.0025941100000000 ] - [ -0.0132980000000000, -0.0002656000000000, 0.0271017800000000 ] - [ 0.0092107200000000, 0.0074541600000000, 0.0077670500000000 ] - [ -0.0029543000000000, 0.0035915700000000, -0.0009281500000000 ] - [ -0.0007794700000000, -0.0005586200000000, -0.0012903600000000 ] - [ 0.0032380200000000, 0.0006702400000000, -0.0014376100000000 ] - [ -0.0012181100000000, -0.0012618100000000, 0.0000775300000000 ] - [ 0.0003624200000000, -0.0046831900000000, -0.0041450500000000 ] - [ 0.0011564500000000, 0.0012655900000000, -0.0005450900000000 ] - [ 0.0004649800000000, -0.0033991300000000, -0.0005254200000000 ] - [ -0.0005941300000000, -0.0000478900000000, 0.0002343700000000 ] - [ 0.0075646000000000, 0.0146611200000000, -0.0111775400000000 ] - [ 0.0011330900000000, 0.0002356700000000, 0.0032755000000000 ] - [ 0.0007142300000000, 0.0124973700000000, -0.0101510200000000 ] - [ -0.0006900400000000, -0.0014832000000000, -0.0026489600000000 ] - [ 0.0003059600000000, -0.0008677500000000, -0.0022871600000000 ] - [ -0.0008221300000000, -0.0005840800000000, 0.0000786900000000 ] - [ -0.0025354800000000, 0.0006093700000000, 0.0017734400000000 ] - [ 0.0018397900000000, -0.0004916700000000, 0.0000982100000000 ] - [ -0.0006891700000000, 0.0000996200000000, 0.0015045100000000 ] - [ 0.0001192800000000, 0.0003483400000000, -0.0005737000000000 ] - [ 0.0012143500000000, -0.0000880400000000, -0.0003913200000000 ] - [ 0.0001621700000000, 0.0001683300000000, 0.0001142000000000 ] - [ -0.0000176400000000, 0.0001173100000000, 0.0000878400000000 ] - [ -0.0013653700000000, 0.0002982400000000, 0.0003389200000000 ] - [ 0.0000081700000000, 0.0000264800000000, 0.0006879700000000 ] - [ 0.0003134700000000, -0.0000267800000000, 0.0006031100000000 ] - [ -0.0007169200000000, -0.0003064600000000, 0.0001081700000000 ] - [ -0.0001414600000000, -0.0000647000000000, -0.0014290900000000 ] - [ -0.0004352800000000, -0.0005942400000000, -0.0015164500000000 ] - [ 0.0004348500000000, 0.0000965300000000, 0.0001225700000000 ] - [ -0.0055429600000000, -0.0022156700000000, 0.0194598800000000 ] - [ -0.0010725500000000, -0.0002898700000000, 0.0004724300000000 ] - [ -0.0156563500000000, 0.0049461400000000, 0.0116141300000000 ] - [ -0.0009942500000000, -0.0003027600000000, -0.0018048200000000 ] - [ 0.0000988200000000, 0.0002299100000000, 0.0006155000000000 ] - [ 0.0000876200000000, 0.0002296800000000, 0.0002913600000000 ] - [ -0.0004243900000000, 0.0009181900000000, 0.0006835600000000 ] - [ -0.0002997200000000, -0.0002026900000000, -0.0003373600000000 ] - [ -0.0126047600000000, -0.0035571800000000, 0.0005797700000000 ] - [ -0.0027897500000000, -0.0009412500000000, -0.0049967100000000 ] - [ 0.0958297500000000, -0.0608262900000000, -0.1089000600000000 ] - [ -0.0033851100000000, 0.0013326500000000, -0.0000679500000000 ] - [ 0.0000593500000000, 0.0002006700000000, -0.0002241700000000 ] - [ -0.0003267300000000, 0.0000158300000000, -0.0000569100000000 ] - [ -0.0009722400000000, -0.0012301600000000, 0.0011460700000000 ] - [ 0.0008522400000000, 0.0005717900000000, 0.0000896000000000 ] - [ -0.0046811600000000, 0.0053751300000000, 0.0038781800000000 ] - [ 0.0008395700000000, -0.0004503400000000, -0.0014940900000000 ] - [ 0.0019092500000000, 0.0094936800000000, -0.0014460200000000 ] - [ -0.0020227800000000, 0.0003343000000000, 0.0003709500000000 ] - [ 0.0012118500000000, -0.0004550100000000, -0.0015241100000000 ] - [ -0.0004891300000000, -0.0000758600000000, 0.0002078800000000 ] - [ -0.0014511500000000, -0.0008868000000000, 0.0010302100000000 ] - [ 0.0000834500000000, -0.0002502500000000, 0.0004088100000000 ] - [ 0.0044607900000000, -0.0063237900000000, -0.0008352900000000 ] - [ -0.0025839500000000, -0.0008692800000000, 0.0013681700000000 ] - [ -0.0004959400000000, -0.0002945400000000, -0.0018207000000000 ] - [ -0.0040580700000000, -0.0027319700000000, -0.0011156400000000 ] - [ -0.0007818200000000, 0.0003198800000000, 0.0009695200000000 ] - [ 0.0007821900000000, 0.0003125600000000, -0.0003339300000000 ] - [ 0.0009182800000000, 0.0000200000000000, 0.0014628000000000 ] - [ 0.0010451600000000, 0.0005125600000000, 0.0017801500000000 ] - [ -0.0012607800000000, -0.0005068200000000, 0.0006400800000000 ] - [ 0.0007909500000000, 0.0010424000000000, 0.0001232600000000 ] - [ 0.0003702600000000, 0.0001867400000000, -0.0011129200000000 ] - [ -0.0003162800000000, 0.0003020400000000, -0.0009006200000000 ] - [ 0.0016864500000000, 0.0000206800000000, 0.0006531900000000 ] - [ -0.0083434000000000, -0.0000585300000000, 0.0061459000000000 ] - [ 0.0021413700000000, 0.0013787500000000, 0.0026206300000000 ] - [ 0.0007438800000000, -0.0007641000000000, 0.0007534400000000 ] - [ -0.0014261800000000, 0.0057116300000000, 0.0004544900000000 ] - [ -0.0012229200000000, -0.0003202300000000, -0.0004243500000000 ] - [ 0.0014563000000000, -0.0020618200000000, -0.0010920300000000 ] - [ -0.0009699700000000, 0.0026938000000000, -0.0008427800000000 ] - [ -0.0009241900000000, -0.0070273400000000, 0.0034795400000000 ] - [ 0.0001078200000000, 0.0001437300000000, -0.0002233100000000 ] - [ 0.0009309200000000, 0.0008141800000000, 0.0006602300000000 ] - [ 0.0007971100000000, -0.0023330900000000, 0.0013077300000000 ]- atom: 43 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ 0.0450569700000000, -0.0263591900000000, -0.0574749000000000 ] - [ -0.0062266500000000, -0.0017753900000000, -0.0035919000000000 ] - [ 0.0138442700000000, 0.0016176100000000, -0.0259414800000000 ] - [ -0.0087872900000000, -0.0059157500000000, -0.0064246600000000 ] - [ 0.0018211500000000, -0.0032619100000000, -0.0000400100000000 ] - [ -0.0003700800000000, 0.0008833000000000, 0.0003376700000000 ] - [ -0.0028924000000000, -0.0021440400000000, 0.0026728000000000 ] - [ 0.0015574700000000, -0.0002112600000000, 0.0011607900000000 ] - [ 0.0013117800000000, 0.0060819900000000, 0.0029223500000000 ] - [ 0.0005213300000000, 0.0002080600000000, -0.0006327600000000 ] - [ -0.0017073700000000, 0.0029018300000000, -0.0003413700000000 ] - [ -0.0006838400000000, -0.0003981600000000, -0.0010882900000000 ] - [ -0.0058528200000000, -0.0161108400000000, 0.0099053800000000 ] - [ 0.0005409000000000, -0.0016466900000000, -0.0043740200000000 ] - [ -0.0020629100000000, -0.0118004600000000, 0.0093601900000000 ] - [ -0.0005450000000000, 0.0018905900000000, 0.0018116300000000 ] - [ -0.0008643100000000, 0.0002709600000000, 0.0016021900000000 ] - [ 0.0002461400000000, -0.0000030900000000, -0.0007496300000000 ] - [ 0.0041146200000000, -0.0006847500000000, -0.0018089100000000 ] - [ -0.0001805100000000, 0.0004444700000000, -0.0001504900000000 ] - [ 0.0001113100000000, 0.0004866300000000, -0.0021655600000000 ] - [ -0.0006862500000000, 0.0002372100000000, -0.0001082100000000 ] - [ 0.0004365400000000, 0.0001365200000000, 0.0003403400000000 ] - [ 0.0014883200000000, -0.0001229100000000, -0.0001566600000000 ] - [ -0.0008472900000000, 0.0005865200000000, 0.0000475600000000 ] - [ 0.0004863400000000, 0.0004072000000000, -0.0002011700000000 ] - [ 0.0002984800000000, 0.0001410200000000, 0.0000925300000000 ] - [ -0.0000003500000000, 0.0001975000000000, 0.0001770600000000 ] - [ -0.0001526200000000, -0.0004020500000000, 0.0000298400000000 ] - [ -0.0007106100000000, -0.0006527800000000, 0.0015484300000000 ] - [ 0.0007501900000000, 0.0004223700000000, 0.0022901900000000 ] - [ -0.0001180400000000, -0.0002678400000000, 0.0006540100000000 ] - [ 0.0057065800000000, 0.0019946200000000, -0.0180448000000000 ] - [ 0.0012261700000000, 0.0000980800000000, 0.0003989400000000 ] - [ 0.0152601400000000, -0.0047737700000000, -0.0124930500000000 ] - [ 0.0002567600000000, 0.0006482900000000, 0.0011402400000000 ] - [ 0.0000828600000000, -0.0000297000000000, 0.0002859900000000 ] - [ 0.0000960900000000, -0.0000384800000000, 0.0005967600000000 ] - [ -0.0003228600000000, -0.0012628200000000, -0.0013405600000000 ] - [ -0.0004531800000000, -0.0001570200000000, -0.0003231500000000 ] - [ 0.0119128500000000, 0.0029825000000000, -0.0013883000000000 ] - [ 0.0022602500000000, 0.0005100300000000, 0.0040786100000000 ] - [ -0.0922831800000000, 0.0574550100000000, 0.1068037900000000 ] - [ 0.0038757800000000, -0.0016237300000000, 0.0003943900000000 ] - [ -0.0004346000000000, 0.0002262800000000, -0.0006470300000000 ] - [ -0.0000507100000000, 0.0004122400000000, -0.0008155000000000 ] - [ 0.0015059100000000, 0.0015363800000000, -0.0008222200000000 ] - [ -0.0003128200000000, -0.0002639600000000, 0.0002295100000000 ] - [ 0.0049325200000000, -0.0053915600000000, -0.0042793300000000 ] - [ -0.0005602600000000, 0.0003872800000000, 0.0010721000000000 ] - [ -0.0033450300000000, -0.0087862100000000, 0.0025156900000000 ] - [ 0.0006330000000000, 0.0002806500000000, 0.0006499300000000 ] - [ -0.0009309700000000, 0.0005001600000000, 0.0011046500000000 ] - [ 0.0007622700000000, 0.0001312900000000, -0.0006230100000000 ] - [ 0.0000688100000000, 0.0002654600000000, -0.0000060400000000 ] - [ -0.0014675500000000, -0.0003643100000000, 0.0006086000000000 ] - [ -0.0042507700000000, 0.0061529200000000, 0.0004110700000000 ] - [ 0.0026783100000000, 0.0007326000000000, -0.0016459100000000 ] - [ 0.0011637800000000, -0.0000505000000000, 0.0029254200000000 ] - [ 0.0049181100000000, 0.0023321500000000, 0.0024029800000000 ] - [ 0.0009076800000000, -0.0001907500000000, -0.0012526500000000 ] - [ -0.0006404100000000, -0.0001812400000000, 0.0000385800000000 ] - [ -0.0000839000000000, 0.0003853300000000, -0.0002086500000000 ] - [ -0.0002002900000000, -0.0001024800000000, -0.0005164900000000 ] - [ 0.0000759800000000, -0.0004466300000000, 0.0003793700000000 ] - [ -0.0019498700000000, -0.0019709500000000, 0.0008898200000000 ] - [ 0.0003021600000000, -0.0005215600000000, 0.0000196500000000 ] - [ 0.0009721400000000, -0.0006341700000000, -0.0001946300000000 ] - [ -0.0028512500000000, 0.0009308100000000, 0.0003478000000000 ] - [ 0.0072294700000000, 0.0009922900000000, -0.0051445800000000 ] - [ -0.0014872500000000, -0.0010449500000000, -0.0037114400000000 ] - [ -0.0000713600000000, 0.0010704900000000, -0.0018453500000000 ] - [ 0.0010693300000000, -0.0050190800000000, -0.0002747700000000 ] - [ 0.0008211300000000, 0.0008270500000000, 0.0005723800000000 ] - [ -0.0001111500000000, 0.0016016100000000, 0.0013373800000000 ] - [ 0.0022389900000000, -0.0030782300000000, 0.0011052000000000 ] - [ 0.0005275700000000, 0.0065665100000000, -0.0033451100000000 ] - [ -0.0005004600000000, -0.0006461800000000, 0.0003556500000000 ] - [ 0.0003873100000000, -0.0003634800000000, -0.0003900300000000 ] - [ 0.0005384500000000, 0.0027650500000000, -0.0010548900000000 ]- atom: 49 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ 0.0704017000000000, -0.0503897600000000, -0.0410552900000000 ] - [ -0.0061122500000000, -0.0027681200000000, -0.0019819000000000 ] - [ -0.0024250600000000, 0.0015865400000000, 0.0018164200000000 ] - [ 0.0003773800000000, -0.0009568300000000, -0.0007080000000000 ] - [ -0.0015840000000000, 0.0038628700000000, 0.0034606100000000 ] - [ -0.0018873500000000, 0.0000508900000000, -0.0026125300000000 ] - [ 0.0025386700000000, 0.0005505900000000, -0.0007736700000000 ] - [ -0.0011064900000000, -0.0006626600000000, 0.0011177300000000 ] - [ 0.0057144800000000, -0.0054449500000000, -0.0060144500000000 ] - [ -0.0028593300000000, 0.0047811200000000, -0.0003349900000000 ] - [ -0.0014535900000000, -0.0004057400000000, 0.0004426400000000 ] - [ 0.0004976500000000, 0.0001032700000000, -0.0007543900000000 ] - [ 0.0008050000000000, -0.0039291800000000, 0.0025741700000000 ] - [ 0.0001721100000000, -0.0008113400000000, -0.0018125700000000 ] - [ 0.0021120200000000, 0.0070777000000000, -0.0033710300000000 ] - [ -0.0012163200000000, -0.0021410900000000, 0.0003456900000000 ] - [ 0.0085928900000000, 0.0034814500000000, -0.0461241200000000 ] - [ -0.0006483700000000, -0.0004261400000000, -0.0001194800000000 ] - [ 0.0011051700000000, -0.0000025400000000, -0.0000356500000000 ] - [ 0.0006764300000000, -0.0000848400000000, -0.0000179400000000 ] - [ 0.0000392500000000, -0.0002104500000000, 0.0029467300000000 ] - [ -0.0001015600000000, 0.0003736600000000, -0.0013152200000000 ] - [ 0.0012222800000000, 0.0000153900000000, -0.0001659800000000 ] - [ 0.0002895000000000, 0.0000501600000000, 0.0001203900000000 ] - [ -0.0004257800000000, 0.0013226900000000, -0.0015938400000000 ] - [ -0.0018835500000000, -0.0003694200000000, 0.0000181100000000 ] - [ 0.0002488900000000, 0.0000235900000000, 0.0005078000000000 ] - [ 0.0000567500000000, 0.0000956200000000, 0.0002980100000000 ] - [ -0.0007335000000000, -0.0003447800000000, 0.0003727000000000 ] - [ 0.0002256700000000, -0.0006117200000000, -0.0005434300000000 ] - [ 0.0003378600000000, -0.0001373500000000, 0.0004920800000000 ] - [ 0.0001545000000000, 0.0000823900000000, 0.0002071000000000 ] - [ 0.0036720800000000, -0.0133672300000000, 0.0020313700000000 ] - [ 0.0028679400000000, 0.0023237100000000, 0.0000993800000000 ] - [ -0.0001200400000000, 0.0008526600000000, -0.0010950000000000 ] - [ -0.0004431500000000, 0.0001168100000000, 0.0003043100000000 ] - [ 0.0002461500000000, -0.0007453400000000, -0.0004679600000000 ] - [ 0.0000033400000000, 0.0000716800000000, 0.0006132600000000 ] - [ -0.0004746500000000, 0.0016076500000000, 0.0014621000000000 ] - [ -0.0000792900000000, -0.0011216000000000, -0.0008782200000000 ] - [ -0.0023610600000000, 0.0050432800000000, 0.0006614600000000 ] - [ 0.0013842000000000, 0.0005881000000000, -0.0001653700000000 ] - [ 0.0040775900000000, -0.0038065100000000, -0.0031584200000000 ] - [ 0.0000216800000000, 0.0006852400000000, 0.0008240300000000 ] - [ -0.0001973900000000, -0.0000534900000000, -0.0009221100000000 ] - [ -0.0000882300000000, 0.0000223800000000, 0.0000499500000000 ] - [ -0.0012222600000000, -0.0013419900000000, 0.0005250100000000 ] - [ 0.0012049000000000, 0.0004489300000000, -0.0000154900000000 ] - [ -0.1051825200000000, 0.0562425000000000, 0.1058983600000000 ] - [ 0.0016568400000000, -0.0000746400000000, -0.0008238300000000 ] - [ -0.0006989900000000, -0.0000249600000000, 0.0001979400000000 ] - [ -0.0006457100000000, 0.0005437100000000, 0.0006951800000000 ] - [ 0.0012227600000000, 0.0002822300000000, -0.0031588500000000 ] - [ -0.0002744900000000, -0.0001235500000000, 0.0007883600000000 ] - [ -0.0014455600000000, -0.0006149300000000, 0.0006663400000000 ] - [ 0.0000056300000000, -0.0002800500000000, 0.0004580800000000 ] - [ 0.0005918500000000, -0.0013169700000000, -0.0012473900000000 ] - [ -0.0001012700000000, 0.0003011600000000, 0.0001288000000000 ] - [ -0.0013516300000000, -0.0005610700000000, 0.0027456700000000 ] - [ 0.0011974700000000, 0.0000991700000000, 0.0007203700000000 ] - [ 0.0000073300000000, -0.0001259100000000, -0.0001726600000000 ] - [ 0.0000706800000000, 0.0000704300000000, -0.0001427600000000 ] - [ 0.0027666600000000, -0.0022686200000000, -0.0017796000000000 ] - [ 0.0017443400000000, 0.0009241100000000, 0.0029028100000000 ] - [ 0.0001440400000000, -0.0026589600000000, 0.0017816200000000 ] - [ 0.0015770400000000, 0.0016655000000000, 0.0005185900000000 ] - [ -0.0005334600000000, 0.0006371400000000, -0.0014392100000000 ] - [ 0.0009248200000000, -0.0004101700000000, -0.0002596500000000 ] - [ -0.0001323600000000, 0.0004201800000000, 0.0002672800000000 ] - [ -0.0014289300000000, 0.0010908400000000, 0.0009554800000000 ] - [ 0.0002035700000000, 0.0005512100000000, -0.0007852100000000 ] - [ 0.0007400500000000, -0.0007138000000000, 0.0006390300000000 ] - [ 0.0088320600000000, 0.0043644900000000, -0.0116894900000000 ] - [ 0.0061151300000000, -0.0011356600000000, 0.0029453000000000 ] - [ 0.0003621300000000, 0.0003359100000000, 0.0003244700000000 ] - [ 0.0009475500000000, -0.0001859300000000, 0.0000186900000000 ] - [ -0.0005292000000000, -0.0017219800000000, -0.0072099100000000 ] - [ 0.0001664300000000, -0.0003999800000000, 0.0002554500000000 ] - [ 0.0004951400000000, 0.0007561600000000, -0.0000907900000000 ] - [ 0.0009297500000000, -0.0007528100000000, 0.0006375300000000 ]- atom: 49 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ -0.0702960600000000, 0.0480481300000000, 0.0379537200000000 ] - [ 0.0049593800000000, 0.0023904000000000, 0.0010396700000000 ] - [ 0.0027522900000000, -0.0001255700000000, -0.0005552500000000 ] - [ -0.0000403200000000, 0.0024116200000000, 0.0019437800000000 ] - [ 0.0004037500000000, -0.0034552300000000, -0.0043921900000000 ] - [ 0.0007545000000000, 0.0002864000000000, 0.0016568700000000 ] - [ -0.0021869700000000, -0.0019767300000000, 0.0020293100000000 ] - [ 0.0014455500000000, -0.0007772900000000, 0.0001283900000000 ] - [ -0.0038992900000000, 0.0069830400000000, 0.0047644800000000 ] - [ 0.0044997900000000, -0.0032784500000000, -0.0008509500000000 ] - [ 0.0001793100000000, -0.0000120400000000, -0.0012963100000000 ] - [ -0.0017711800000000, -0.0005287200000000, -0.0001123200000000 ] - [ 0.0008573100000000, 0.0023864700000000, -0.0037210100000000 ] - [ 0.0015134200000000, -0.0006482700000000, 0.0006505500000000 ] - [ -0.0033559800000000, -0.0065917000000000, 0.0024960700000000 ] - [ -0.0000643500000000, 0.0025820100000000, -0.0012040200000000 ] - [ -0.0082763700000000, -0.0030273000000000, 0.0423857100000000 ] - [ 0.0000773000000000, -0.0001629400000000, -0.0005573800000000 ] - [ 0.0005444600000000, -0.0000447400000000, -0.0000133800000000 ] - [ 0.0009720100000000, 0.0000360800000000, -0.0000307700000000 ] - [ -0.0006087500000000, 0.0007906200000000, -0.0035823400000000 ] - [ -0.0004699900000000, 0.0002135700000000, 0.0006333200000000 ] - [ 0.0004248500000000, 0.0000335200000000, 0.0001176500000000 ] - [ 0.0013564500000000, -0.0000003000000000, -0.0001679200000000 ] - [ -0.0004444400000000, -0.0005886000000000, 0.0017101700000000 ] - [ 0.0009958400000000, 0.0010582900000000, 0.0001149200000000 ] - [ 0.0000631200000000, 0.0001514100000000, 0.0002697600000000 ] - [ 0.0002543900000000, 0.0000782000000000, 0.0004793100000000 ] - [ -0.0001369200000000, -0.0003674800000000, -0.0002360500000000 ] - [ -0.0010850000000000, -0.0001064300000000, 0.0006813600000000 ] - [ -0.0000260000000000, -0.0000353500000000, 0.0002851100000000 ] - [ 0.0001593300000000, -0.0002527400000000, 0.0005705400000000 ] - [ -0.0033820000000000, 0.0129554000000000, -0.0010671500000000 ] - [ -0.0027038200000000, -0.0025181400000000, 0.0007908900000000 ] - [ -0.0006323900000000, -0.0004766200000000, 0.0004217100000000 ] - [ -0.0003101900000000, 0.0002396900000000, -0.0009569600000000 ] - [ -0.0000599300000000, 0.0009111800000000, 0.0013424700000000 ] - [ 0.0001786400000000, 0.0001125200000000, 0.0002750100000000 ] - [ -0.0002811800000000, -0.0019903200000000, -0.0021400500000000 ] - [ -0.0006694800000000, 0.0007472900000000, 0.0002104800000000 ] - [ 0.0019595500000000, -0.0054721000000000, -0.0014999600000000 ] - [ -0.0017563600000000, -0.0010083000000000, -0.0007117500000000 ] - [ -0.0035393100000000, 0.0035093900000000, 0.0034752400000000 ] - [ 0.0005064400000000, -0.0009759500000000, -0.0005016500000000 ] - [ -0.0001737700000000, 0.0004695000000000, 0.0000452300000000 ] - [ -0.0002872300000000, 0.0003972800000000, -0.0009252100000000 ] - [ 0.0017468900000000, 0.0016282900000000, -0.0002027900000000 ] - [ -0.0006661600000000, -0.0001493000000000, 0.0003323700000000 ] - [ 0.1029027100000000, -0.0553492600000000, -0.1005289900000000 ] - [ -0.0013711200000000, 0.0000297500000000, 0.0004029600000000 ] - [ -0.0006804600000000, 0.0006398800000000, 0.0008198800000000 ] - [ -0.0007350800000000, 0.0000734400000000, 0.0003256900000000 ] - [ -0.0009248800000000, -0.0002303800000000, 0.0027016200000000 ] - [ 0.0005464700000000, 0.0001753700000000, -0.0012026900000000 ] - [ 0.0000643500000000, -0.0000116600000000, 0.0003538700000000 ] - [ -0.0013830100000000, -0.0003422500000000, 0.0005623700000000 ] - [ -0.0004546900000000, 0.0011800500000000, 0.0009414100000000 ] - [ 0.0002337000000000, -0.0004268000000000, -0.0004245600000000 ] - [ 0.0020924100000000, 0.0001270600000000, -0.0016794200000000 ] - [ -0.0003566200000000, -0.0004981900000000, 0.0005286200000000 ] - [ 0.0001244300000000, 0.0002460900000000, -0.0001215300000000 ] - [ 0.0000615100000000, 0.0000511400000000, -0.0001487300000000 ] - [ -0.0019351400000000, 0.0026747900000000, 0.0030516300000000 ] - [ -0.0009023600000000, -0.0005091400000000, -0.0016377200000000 ] - [ -0.0013194700000000, 0.0017040100000000, -0.0007638600000000 ] - [ -0.0027592200000000, -0.0025902800000000, 0.0005109800000000 ] - [ 0.0012075400000000, -0.0009877800000000, 0.0003592800000000 ] - [ -0.0002535200000000, 0.0000652000000000, -0.0008282600000000 ] - [ -0.0010366900000000, 0.0005325100000000, 0.0007406300000000 ] - [ 0.0002416800000000, -0.0001241200000000, 0.0000636300000000 ] - [ 0.0004658500000000, -0.0002089500000000, -0.0003018500000000 ] - [ -0.0000735700000000, 0.0010373300000000, -0.0017241600000000 ] - [ -0.0088416300000000, -0.0036760100000000, 0.0115340000000000 ] - [ -0.0065665000000000, 0.0016786100000000, -0.0028607400000000 ] - [ 0.0009612500000000, -0.0007828800000000, -0.0000632100000000 ] - [ 0.0003744400000000, -0.0002655000000000, 0.0002368100000000 ] - [ 0.0001815300000000, 0.0011745500000000, 0.0072220400000000 ] - [ -0.0005629900000000, -0.0000942500000000, -0.0001242800000000 ] - [ 0.0008262700000000, -0.0003188900000000, 0.0003517400000000 ] - [ 0.0003916800000000, 0.0011768800000000, -0.0003758500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0374827000000000, 0.0628381400000000, 0.0201866400000000 ] - [ -0.0020906900000000, 0.0037118900000000, -0.0010814600000000 ] - [ 0.0023882100000000, -0.0014865400000000, -0.0014985800000000 ] - [ -0.0071293900000000, -0.0049867100000000, -0.0056621300000000 ] - [ 0.0000882200000000, -0.0000868000000000, -0.0025864000000000 ] - [ -0.0025084000000000, 0.0010389900000000, -0.0030269400000000 ] - [ 0.0011701700000000, -0.0048475000000000, -0.0024338900000000 ] - [ 0.0000415500000000, -0.0030582400000000, 0.0007450300000000 ] - [ -0.0061858100000000, -0.0026361000000000, -0.0026601400000000 ] - [ 0.0029270300000000, 0.0012241200000000, -0.0003651300000000 ] - [ -0.0012434600000000, -0.0036396500000000, 0.0005028400000000 ] - [ 0.0004742600000000, -0.0042890700000000, -0.0000928500000000 ] - [ 0.0001797800000000, 0.0033071000000000, -0.0010886500000000 ] - [ 0.0005149100000000, 0.0024761900000000, -0.0025105900000000 ] - [ -0.0007603400000000, -0.0113457300000000, 0.0055656900000000 ] - [ -0.0012604100000000, -0.0012769800000000, 0.0012518400000000 ] - [ -0.0041609900000000, 0.0370481900000000, -0.0712704200000000 ] - [ -0.0001828800000000, 0.0000803500000000, -0.0001923700000000 ] - [ 0.0010454800000000, -0.0002763800000000, -0.0002282400000000 ] - [ 0.0005476500000000, -0.0001368100000000, 0.0000081600000000 ] - [ -0.0001462800000000, 0.0003580100000000, 0.0000325600000000 ] - [ -0.0002698000000000, 0.0003550000000000, -0.0003864700000000 ] - [ 0.0011166800000000, -0.0000478000000000, -0.0000870600000000 ] - [ 0.0009454100000000, -0.0002637900000000, -0.0001934300000000 ] - [ 0.0003697600000000, 0.0002744500000000, 0.0018050000000000 ] - [ -0.0001994300000000, 0.0012372600000000, 0.0002299400000000 ] - [ 0.0002792100000000, -0.0005887100000000, 0.0007213100000000 ] - [ 0.0001335500000000, -0.0002195200000000, 0.0003805200000000 ] - [ -0.0004517000000000, -0.0000140400000000, 0.0001603500000000 ] - [ -0.0005463100000000, 0.0005517400000000, 0.0007085600000000 ] - [ 0.0002302600000000, -0.0002591600000000, 0.0004215300000000 ] - [ -0.0001289200000000, -0.0005657300000000, 0.0002909300000000 ] - [ -0.0079947400000000, 0.0104572700000000, -0.0012232400000000 ] - [ 0.0018655200000000, -0.0000533900000000, 0.0003122400000000 ] - [ -0.0004170600000000, -0.0001886100000000, 0.0002485600000000 ] - [ 0.0000217200000000, -0.0003298400000000, 0.0014360000000000 ] - [ 0.0000337200000000, 0.0004952100000000, 0.0004390300000000 ] - [ -0.0000846700000000, 0.0004637000000000, 0.0005771600000000 ] - [ -0.0000174400000000, 0.0061875800000000, 0.0051982900000000 ] - [ -0.0006041800000000, 0.0005238300000000, -0.0000596300000000 ] - [ 0.0022126400000000, 0.0117364800000000, 0.0083082400000000 ] - [ -0.0005344200000000, -0.0002177700000000, -0.0000444800000000 ] - [ -0.0036048100000000, 0.0016799800000000, 0.0041231900000000 ] - [ 0.0017685300000000, -0.0010831200000000, 0.0005582300000000 ] - [ -0.0006294800000000, 0.0009077900000000, -0.0004207400000000 ] - [ -0.0000122900000000, 0.0006550300000000, 0.0002359400000000 ] - [ 0.0000657600000000, 0.0004057600000000, 0.0005988700000000 ] - [ 0.0005637100000000, 0.0005428500000000, 0.0004535100000000 ] - [ 0.0545041200000000, -0.1182443500000000, 0.0418645000000000 ] - [ 0.0000873300000000, -0.0011734800000000, -0.0001114700000000 ] - [ -0.0009990200000000, 0.0009820100000000, 0.0008739500000000 ] - [ -0.0002873600000000, 0.0010054000000000, 0.0007384100000000 ] - [ -0.0001134400000000, -0.0003805400000000, -0.0000775000000000 ] - [ 0.0002832300000000, -0.0005281800000000, 0.0002975600000000 ] - [ -0.0012148300000000, 0.0010040800000000, 0.0004636500000000 ] - [ -0.0007722000000000, 0.0003707800000000, 0.0005313800000000 ] - [ -0.0008047800000000, 0.0016867400000000, 0.0009149700000000 ] - [ 0.0012207700000000, 0.0005405800000000, -0.0007757500000000 ] - [ -0.0017964800000000, -0.0018593100000000, -0.0030889800000000 ] - [ 0.0005345300000000, -0.0010095800000000, 0.0005437200000000 ] - [ 0.0004868200000000, 0.0005910400000000, -0.0006219100000000 ] - [ 0.0001400500000000, 0.0006003000000000, -0.0005964600000000 ] - [ -0.0014693600000000, 0.0011276300000000, 0.0021131900000000 ] - [ 0.0023378600000000, -0.0002120900000000, 0.0038480400000000 ] - [ -0.0029917900000000, 0.0018326400000000, -0.0009895500000000 ] - [ 0.0059931600000000, 0.0003570200000000, -0.0019703600000000 ] - [ -0.0018146100000000, 0.0027155300000000, -0.0032405800000000 ] - [ 0.0004629600000000, 0.0005182400000000, -0.0008167000000000 ] - [ -0.0005046500000000, -0.0001401700000000, 0.0003532800000000 ] - [ 0.0001021600000000, -0.0002295600000000, -0.0007010900000000 ] - [ 0.0004157000000000, 0.0002933300000000, -0.0010985700000000 ] - [ -0.0002602600000000, 0.0013629800000000, -0.0020469800000000 ] - [ 0.0049669400000000, -0.0019068700000000, -0.0029995600000000 ] - [ -0.0012848300000000, -0.0022563100000000, -0.0005746200000000 ] - [ 0.0007764700000000, 0.0041420500000000, 0.0018677900000000 ] - [ 0.0005235000000000, 0.0012399000000000, 0.0007068600000000 ] - [ -0.0003858900000000, -0.0033085600000000, 0.0057283500000000 ] - [ 0.0002154800000000, -0.0019504900000000, 0.0007818900000000 ] - [ 0.0007060000000000, 0.0016857600000000, -0.0002191300000000 ] - [ 0.0006052400000000, 0.0044845800000000, -0.0000856500000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0382302400000000, -0.0641747600000000, -0.0229217000000000 ] - [ 0.0009373700000000, -0.0040877500000000, 0.0001267700000000 ] - [ -0.0020586000000000, 0.0029351400000000, 0.0027498800000000 ] - [ 0.0075222500000000, 0.0064397300000000, 0.0069415800000000 ] - [ -0.0012650600000000, 0.0005178400000000, 0.0016349900000000 ] - [ 0.0013691300000000, -0.0006708600000000, 0.0020758900000000 ] - [ -0.0008053300000000, 0.0034080400000000, 0.0036578500000000 ] - [ 0.0002938800000000, 0.0016175800000000, 0.0005045400000000 ] - [ 0.0079336900000000, 0.0042743000000000, 0.0014505100000000 ] - [ -0.0012740400000000, 0.0002851200000000, -0.0008220600000000 ] - [ -0.0000363900000000, 0.0032121400000000, -0.0013440800000000 ] - [ -0.0017345700000000, 0.0038747600000000, -0.0007537100000000 ] - [ 0.0014902200000000, -0.0048550300000000, -0.0000600500000000 ] - [ 0.0011462300000000, -0.0039957900000000, 0.0013108300000000 ] - [ -0.0005162000000000, 0.0117877300000000, -0.0064334800000000 ] - [ -0.0000067500000000, 0.0016942400000000, -0.0021162600000000 ] - [ 0.0038762600000000, -0.0350713400000000, 0.0685216100000000 ] - [ -0.0003873400000000, -0.0006692500000000, -0.0004881500000000 ] - [ 0.0005999500000000, 0.0002275800000000, 0.0001812400000000 ] - [ 0.0011015400000000, 0.0000880000000000, -0.0000571900000000 ] - [ -0.0004226000000000, 0.0002322600000000, -0.0007151400000000 ] - [ -0.0002992000000000, 0.0002326400000000, -0.0002968400000000 ] - [ 0.0005323200000000, 0.0000975000000000, 0.0000372000000000 ] - [ 0.0007004600000000, 0.0003118300000000, 0.0001448600000000 ] - [ -0.0012527900000000, 0.0004454600000000, -0.0016806100000000 ] - [ -0.0006628300000000, -0.0005246600000000, -0.0000930800000000 ] - [ 0.0000317400000000, 0.0007593000000000, 0.0000578100000000 ] - [ 0.0001777000000000, 0.0003925400000000, 0.0003963700000000 ] - [ -0.0004188800000000, -0.0006972000000000, -0.0000250400000000 ] - [ -0.0003172000000000, -0.0012705800000000, -0.0005704800000000 ] - [ 0.0000806600000000, 0.0000856900000000, 0.0003556600000000 ] - [ 0.0004419000000000, 0.0003916700000000, 0.0004884400000000 ] - [ 0.0083474200000000, -0.0106922800000000, 0.0021536800000000 ] - [ -0.0016851200000000, -0.0001148700000000, 0.0005727200000000 ] - [ -0.0003346800000000, 0.0005675800000000, -0.0009216400000000 ] - [ -0.0007774600000000, 0.0007085500000000, -0.0021169400000000 ] - [ 0.0001501200000000, -0.0003376900000000, 0.0004293100000000 ] - [ 0.0002678400000000, -0.0002928100000000, 0.0003034300000000 ] - [ -0.0007319400000000, -0.0064908500000000, -0.0058021100000000 ] - [ -0.0001463000000000, -0.0008968200000000, -0.0006058800000000 ] - [ -0.0026153700000000, -0.0124160600000000, -0.0093313300000000 ] - [ 0.0001638800000000, -0.0001981400000000, -0.0008313600000000 ] - [ 0.0041451700000000, -0.0019768900000000, -0.0038114400000000 ] - [ -0.0012427000000000, 0.0007974000000000, -0.0002392600000000 ] - [ 0.0002588700000000, -0.0004950300000000, -0.0004555900000000 ] - [ -0.0003604500000000, -0.0002428900000000, -0.0011087100000000 ] - [ 0.0004583800000000, -0.0001255800000000, -0.0002786300000000 ] - [ -0.0000293700000000, -0.0002493600000000, -0.0001353400000000 ] - [ -0.0567360700000000, 0.1167217500000000, -0.0382082200000000 ] - [ 0.0001925000000000, 0.0011248100000000, -0.0003052400000000 ] - [ -0.0003779500000000, -0.0003633800000000, 0.0001448000000000 ] - [ -0.0010960800000000, -0.0003844600000000, 0.0002813700000000 ] - [ 0.0004003900000000, 0.0004257500000000, -0.0003438200000000 ] - [ -0.0000113000000000, 0.0005753700000000, -0.0007108500000000 ] - [ -0.0001700000000000, -0.0016252600000000, 0.0005591400000000 ] - [ -0.0006052000000000, -0.0009903000000000, 0.0004885800000000 ] - [ 0.0009414800000000, -0.0018097600000000, -0.0012125100000000 ] - [ -0.0011014300000000, -0.0006639800000000, 0.0004924800000000 ] - [ 0.0026211600000000, 0.0014496500000000, 0.0043353500000000 ] - [ 0.0003025600000000, 0.0006114800000000, 0.0007058800000000 ] - [ -0.0003523300000000, -0.0004707200000000, 0.0003246300000000 ] - [ -0.0000041800000000, -0.0004779900000000, 0.0002940900000000 ] - [ 0.0023035600000000, -0.0007289800000000, -0.0008325700000000 ] - [ -0.0015039600000000, 0.0005999100000000, -0.0025828000000000 ] - [ 0.0017847400000000, -0.0027535300000000, 0.0019921600000000 ] - [ -0.0070864200000000, -0.0013112500000000, 0.0029559200000000 ] - [ 0.0024676900000000, -0.0030427400000000, 0.0021284400000000 ] - [ 0.0002095800000000, -0.0008607800000000, -0.0002731700000000 ] - [ -0.0006716700000000, 0.0011004800000000, 0.0006629000000000 ] - [ -0.0012844500000000, 0.0011953800000000, 0.0017238100000000 ] - [ 0.0002535500000000, 0.0000502300000000, 0.0000132900000000 ] - [ 0.0009338600000000, -0.0010216700000000, 0.0009634200000000 ] - [ -0.0052921800000000, 0.0024524400000000, 0.0031821800000000 ] - [ 0.0009152100000000, 0.0027519300000000, 0.0007247100000000 ] - [ 0.0005431300000000, -0.0046105800000000, -0.0016197000000000 ] - [ 0.0007968100000000, -0.0016849800000000, -0.0004490700000000 ] - [ 0.0000279100000000, 0.0027340500000000, -0.0056994300000000 ] - [ -0.0006083300000000, 0.0014417800000000, -0.0006422400000000 ] - [ 0.0006136700000000, -0.0012419100000000, 0.0004782300000000 ] - [ 0.0007176800000000, -0.0040308500000000, 0.0003491400000000 ]- atom: 49 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ -0.0711274600000000, 0.0547681100000000, 0.0716548300000000 ] - [ 0.0014654500000000, 0.0018200000000000, 0.0005363100000000 ] - [ 0.0031674100000000, -0.0008478300000000, -0.0004813100000000 ] - [ -0.0034068800000000, -0.0012552600000000, 0.0001945400000000 ] - [ 0.0055283000000000, -0.0099464000000000, -0.0046006300000000 ] - [ -0.0017408200000000, 0.0019553800000000, -0.0007726800000000 ] - [ -0.0025084900000000, -0.0032050300000000, 0.0013198300000000 ] - [ 0.0016611800000000, -0.0015915500000000, 0.0003180000000000 ] - [ -0.0077557900000000, 0.0055483200000000, 0.0103985400000000 ] - [ 0.0044361300000000, -0.0022459100000000, 0.0018399700000000 ] - [ 0.0001229900000000, -0.0013866500000000, -0.0017282500000000 ] - [ -0.0010619800000000, -0.0011982900000000, -0.0004195700000000 ] - [ 0.0018881900000000, 0.0083635500000000, -0.0081066600000000 ] - [ -0.0029596200000000, -0.0042774200000000, -0.0073355800000000 ] - [ -0.0022712800000000, -0.0021163300000000, 0.0011100500000000 ] - [ 0.0002599200000000, 0.0012604300000000, -0.0005803300000000 ] - [ -0.0373434000000000, -0.0806633700000000, 0.3461502600000000 ] - [ -0.0000385400000000, -0.0001536900000000, -0.0008233300000000 ] - [ 0.0009478100000000, -0.0001616000000000, -0.0001052800000000 ] - [ 0.0005374300000000, 0.0000030500000000, 0.0000581400000000 ] - [ -0.0004535500000000, 0.0010112500000000, -0.0045346200000000 ] - [ -0.0006499400000000, 0.0003842900000000, 0.0001878900000000 ] - [ 0.0007366100000000, -0.0000571600000000, 0.0000762500000000 ] - [ 0.0011116300000000, -0.0000272000000000, -0.0001352100000000 ] - [ -0.0013903100000000, 0.0009258200000000, 0.0011980000000000 ] - [ 0.0018233800000000, 0.0021740100000000, -0.0000001000000000 ] - [ 0.0001532500000000, 0.0000011400000000, 0.0003707700000000 ] - [ 0.0002027800000000, -0.0000022800000000, 0.0004308000000000 ] - [ 0.0001172000000000, 0.0000131800000000, -0.0003247400000000 ] - [ -0.0019985300000000, 0.0006243000000000, -0.0005518000000000 ] - [ 0.0000379800000000, -0.0000802100000000, 0.0003493700000000 ] - [ 0.0000907500000000, -0.0003096900000000, 0.0004263300000000 ] - [ 0.0028420300000000, 0.0020183000000000, -0.0021888600000000 ] - [ -0.0019356500000000, -0.0018517400000000, 0.0002792500000000 ] - [ -0.0005652300000000, -0.0015868300000000, 0.0015443300000000 ] - [ 0.0001520800000000, 0.0015204800000000, -0.0007935800000000 ] - [ -0.0002690300000000, 0.0026580600000000, 0.0024953200000000 ] - [ 0.0002644600000000, -0.0002255000000000, 0.0005311600000000 ] - [ -0.0001386900000000, -0.0012001000000000, -0.0013995100000000 ] - [ -0.0007601400000000, 0.0006036700000000, -0.0001551600000000 ] - [ 0.0012993500000000, 0.0007539700000000, -0.0012146800000000 ] - [ -0.0010635800000000, -0.0006682300000000, -0.0005538200000000 ] - [ -0.0051860900000000, 0.0045118400000000, 0.0038535100000000 ] - [ 0.0018429400000000, -0.0008999800000000, -0.0006060600000000 ] - [ -0.0006435700000000, 0.0009950500000000, -0.0000382700000000 ] - [ 0.0002034500000000, 0.0002721900000000, -0.0004322400000000 ] - [ 0.0023523100000000, 0.0027669400000000, -0.0005525300000000 ] - [ -0.0004930100000000, -0.0001683400000000, 0.0004965400000000 ] - [ 0.1419383300000000, 0.0109980500000000, -0.4701545000000000 ] - [ -0.0011587100000000, 0.0000866200000000, 0.0002759900000000 ] - [ -0.0011201000000000, 0.0008424700000000, 0.0008006800000000 ] - [ -0.0001672000000000, 0.0005210200000000, 0.0004040600000000 ] - [ -0.0029372900000000, -0.0002221800000000, 0.0042868900000000 ] - [ 0.0012024300000000, -0.0003334200000000, -0.0006986100000000 ] - [ -0.0002767000000000, 0.0002924400000000, 0.0002664800000000 ] - [ -0.0011562500000000, -0.0002144400000000, 0.0005862000000000 ] - [ -0.0002249100000000, 0.0003333900000000, 0.0000664600000000 ] - [ 0.0007002800000000, -0.0001064900000000, -0.0006998000000000 ] - [ 0.0030277900000000, 0.0071058300000000, 0.0185378800000000 ] - [ 0.0007813600000000, -0.0005822400000000, 0.0026937100000000 ] - [ 0.0001975600000000, 0.0005015800000000, -0.0000721400000000 ] - [ -0.0001591800000000, 0.0001815300000000, 0.0000475100000000 ] - [ -0.0040451500000000, 0.0033874500000000, 0.0016569200000000 ] - [ 0.0009147000000000, 0.0005967000000000, -0.0003747500000000 ] - [ -0.0000741400000000, 0.0003492400000000, -0.0008792700000000 ] - [ -0.0013852300000000, -0.0037835200000000, -0.0001284600000000 ] - [ 0.0003498000000000, 0.0001099500000000, -0.0006214100000000 ] - [ 0.0000301500000000, 0.0002714700000000, -0.0006656600000000 ] - [ -0.0023168800000000, 0.0012492700000000, 0.0023947900000000 ] - [ 0.0005758000000000, -0.0008773800000000, 0.0008129900000000 ] - [ -0.0000549600000000, -0.0003439200000000, -0.0007983400000000 ] - [ 0.0009376400000000, 0.0014535300000000, -0.0000505400000000 ] - [ -0.0194948700000000, -0.0074898500000000, 0.0104246100000000 ] - [ -0.0014050100000000, 0.0000705900000000, -0.0016231200000000 ] - [ 0.0008154900000000, 0.0008604900000000, 0.0004045900000000 ] - [ 0.0006432400000000, 0.0001064400000000, 0.0004187300000000 ] - [ -0.0049073600000000, 0.0063364800000000, 0.0242962000000000 ] - [ -0.0001075400000000, -0.0020010200000000, 0.0010312800000000 ] - [ 0.0006362400000000, 0.0002793800000000, 0.0001173600000000 ] - [ 0.0007572700000000, 0.0011938200000000, -0.0001418900000000 ]- atom: 49 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ 0.0732983300000000, -0.0588895200000000, -0.0752626900000000 ] - [ -0.0025863500000000, -0.0021794500000000, -0.0014612800000000 ] - [ -0.0028313200000000, 0.0023096100000000, 0.0017330300000000 ] - [ 0.0037545300000000, 0.0027230600000000, 0.0010490600000000 ] - [ -0.0067702000000000, 0.0104095800000000, 0.0035790700000000 ] - [ 0.0006189400000000, -0.0016238000000000, -0.0001746600000000 ] - [ 0.0028358300000000, 0.0017577100000000, -0.0000496100000000 ] - [ -0.0013127700000000, 0.0001424700000000, 0.0009246700000000 ] - [ 0.0095149000000000, -0.0040664400000000, -0.0115916600000000 ] - [ -0.0027456700000000, 0.0037043300000000, -0.0029897200000000 ] - [ -0.0013939200000000, 0.0009758800000000, 0.0008727200000000 ] - [ -0.0002166700000000, 0.0007706600000000, -0.0004469100000000 ] - [ -0.0002358900000000, -0.0099493600000000, 0.0069699800000000 ] - [ 0.0046752200000000, 0.0028508900000000, 0.0062176200000000 ] - [ 0.0009992100000000, 0.0025305300000000, -0.0019543300000000 ] - [ -0.0015360500000000, -0.0008058000000000, -0.0002789200000000 ] - [ 0.0366884400000000, 0.0746499000000000, -0.3230786200000000 ] - [ -0.0005292800000000, -0.0004339200000000, 0.0001472300000000 ] - [ 0.0006993800000000, 0.0001145100000000, 0.0000567300000000 ] - [ 0.0011138300000000, -0.0000518600000000, -0.0001068400000000 ] - [ -0.0001123400000000, -0.0004279000000000, 0.0038983000000000 ] - [ 0.0000815200000000, 0.0002008600000000, -0.0008653900000000 ] - [ 0.0009076600000000, 0.0001058500000000, -0.0001230800000000 ] - [ 0.0005397500000000, 0.0000767300000000, 0.0000867500000000 ] - [ 0.0005117100000000, -0.0002024800000000, -0.0010830700000000 ] - [ -0.0027173300000000, -0.0015002300000000, 0.0001328900000000 ] - [ 0.0001576300000000, 0.0001742000000000, 0.0004056100000000 ] - [ 0.0001093300000000, 0.0001758600000000, 0.0003484900000000 ] - [ -0.0009859900000000, -0.0007251600000000, 0.0004599000000000 ] - [ 0.0011364300000000, -0.0013418300000000, 0.0006874600000000 ] - [ 0.0002720300000000, -0.0000931900000000, 0.0004269500000000 ] - [ 0.0002225300000000, 0.0001379200000000, 0.0003538000000000 ] - [ -0.0026887100000000, -0.0021588000000000, 0.0031279300000000 ] - [ 0.0021028300000000, 0.0016566100000000, 0.0006045000000000 ] - [ -0.0001875400000000, 0.0019687700000000, -0.0022224700000000 ] - [ -0.0009103000000000, -0.0011740500000000, 0.0001382000000000 ] - [ 0.0004577800000000, -0.0025065000000000, -0.0016230600000000 ] - [ -0.0000824900000000, 0.0004109500000000, 0.0003579100000000 ] - [ -0.0006171700000000, 0.0007935700000000, 0.0006990900000000 ] - [ 0.0000080300000000, -0.0009690100000000, -0.0005101100000000 ] - [ -0.0017001500000000, -0.0011889800000000, 0.0003681000000000 ] - [ 0.0006826600000000, 0.0002432100000000, -0.0003246800000000 ] - [ 0.0057272300000000, -0.0048111400000000, -0.0035400500000000 ] - [ -0.0013161600000000, 0.0006045700000000, 0.0009267200000000 ] - [ 0.0002729500000000, -0.0005736700000000, -0.0008298500000000 ] - [ -0.0005804800000000, 0.0001518600000000, -0.0004448700000000 ] - [ -0.0018174500000000, -0.0024620300000000, 0.0008857600000000 ] - [ 0.0010257500000000, 0.0004702900000000, -0.0001773300000000 ] - [ -0.1454406300000000, -0.0018642600000000, 0.4493287300000000 ] - [ 0.0014374500000000, -0.0001337700000000, -0.0006968100000000 ] - [ -0.0002576500000000, -0.0002279800000000, 0.0002199300000000 ] - [ -0.0012170100000000, 0.0000943700000000, 0.0006165400000000 ] - [ 0.0032429700000000, 0.0002675900000000, -0.0047405400000000 ] - [ -0.0009343900000000, 0.0003869200000000, 0.0002824500000000 ] - [ -0.0010983400000000, -0.0009141900000000, 0.0007529100000000 ] - [ -0.0002274700000000, -0.0004065100000000, 0.0004355600000000 ] - [ 0.0003549300000000, -0.0004538600000000, -0.0003553000000000 ] - [ -0.0005674800000000, -0.0000222100000000, 0.0004022700000000 ] - [ -0.0022740800000000, -0.0076513900000000, -0.0177948400000000 ] - [ 0.0000537300000000, 0.0001834700000000, -0.0014550100000000 ] - [ -0.0000657500000000, -0.0003789900000000, -0.0002189300000000 ] - [ 0.0002904100000000, -0.0000589900000000, -0.0003369300000000 ] - [ 0.0048290000000000, -0.0029410300000000, -0.0003434300000000 ] - [ -0.0000802000000000, -0.0001911000000000, 0.0016261000000000 ] - [ -0.0010861800000000, -0.0013237300000000, 0.0019007800000000 ] - [ 0.0001809100000000, 0.0028712800000000, 0.0011704000000000 ] - [ 0.0003310200000000, -0.0004647400000000, -0.0004508200000000 ] - [ 0.0006378100000000, -0.0006149100000000, -0.0004252300000000 ] - [ 0.0011544200000000, -0.0003038500000000, -0.0013966600000000 ] - [ -0.0017592800000000, 0.0018434300000000, 0.0002086400000000 ] - [ 0.0007280100000000, 0.0006837500000000, -0.0002828500000000 ] - [ -0.0002803700000000, -0.0011238500000000, -0.0010538400000000 ] - [ 0.0197178600000000, 0.0082105400000000, -0.0105259900000000 ] - [ 0.0010394900000000, 0.0004428800000000, 0.0017587800000000 ] - [ 0.0005099000000000, -0.0013123100000000, -0.0001436600000000 ] - [ 0.0006751900000000, -0.0005578000000000, -0.0001620400000000 ] - [ 0.0046130000000000, -0.0069238500000000, -0.0242783400000000 ] - [ -0.0002939900000000, 0.0015108700000000, -0.0009045800000000 ] - [ 0.0006861900000000, 0.0001567800000000, 0.0001451000000000 ] - [ 0.0005603500000000, -0.0007578400000000, 0.0003983300000000 ]- atom: 51 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ 0.0016801700000000, 0.0014086500000000, -0.0003215400000000 ] - [ -0.0040250000000000, -0.0013542200000000, -0.0018810300000000 ] - [ 0.0889254000000000, 0.0520458600000000, 0.0492011600000000 ] - [ -0.0110706100000000, 0.0143372000000000, 0.0012433100000000 ] - [ 0.0020104200000000, -0.0015649500000000, 0.0013113100000000 ] - [ -0.0026042700000000, -0.0002712700000000, -0.0021036000000000 ] - [ -0.0017557000000000, -0.0000116700000000, 0.0030704200000000 ] - [ 0.0017585400000000, -0.0033392500000000, -0.0040808400000000 ] - [ 0.0022371300000000, -0.0003242800000000, -0.0001684100000000 ] - [ -0.0004655400000000, 0.0008786700000000, -0.0014679600000000 ] - [ 0.0027470700000000, 0.0111971400000000, 0.0055453500000000 ] - [ -0.0034087500000000, -0.0117087800000000, -0.0051311100000000 ] - [ 0.0041219900000000, -0.0109185500000000, 0.0035448400000000 ] - [ 0.0000567600000000, 0.0023113800000000, -0.0015381900000000 ] - [ -0.0010597000000000, -0.0000701800000000, 0.0000441700000000 ] - [ -0.0003251100000000, 0.0027613000000000, -0.0015809600000000 ] - [ -0.0003194600000000, -0.0002606600000000, 0.0002455500000000 ] - [ -0.0002276000000000, -0.0002992000000000, -0.0008134200000000 ] - [ 0.2562834200000000, -0.0008540300000000, -0.1064048700000000 ] - [ -0.0050620000000000, -0.0013504600000000, 0.0034180400000000 ] - [ -0.0000588400000000, 0.0003087400000000, -0.0005733800000000 ] - [ -0.0005426900000000, 0.0002476800000000, -0.0001200700000000 ] - [ 0.0015384400000000, -0.0000589700000000, 0.0000841300000000 ] - [ 0.0004077500000000, 0.0000868100000000, -0.0001185100000000 ] - [ -0.0004895100000000, 0.0002583600000000, 0.0002061600000000 ] - [ -0.0003854000000000, 0.0003490300000000, -0.0000180600000000 ] - [ 0.0005268300000000, -0.0012909300000000, 0.0017351000000000 ] - [ -0.0011551300000000, 0.0015184000000000, -0.0007237200000000 ] - [ -0.0001356300000000, -0.0002937500000000, 0.0001006000000000 ] - [ -0.0005430500000000, -0.0007145100000000, -0.0001533200000000 ] - [ 0.0011784500000000, -0.0002231100000000, 0.0022172000000000 ] - [ -0.0003020800000000, -0.0000274400000000, -0.0001062100000000 ] - [ -0.0002942800000000, 0.0000681100000000, -0.0000615800000000 ] - [ 0.0005971400000000, -0.0007595700000000, 0.0010723300000000 ] - [ 0.0078243800000000, 0.0177061900000000, -0.0038954700000000 ] - [ 0.0024789900000000, -0.0037491300000000, 0.0011340800000000 ] - [ 0.0000392700000000, -0.0023589500000000, -0.0019230900000000 ] - [ 0.0001770600000000, 0.0031567500000000, 0.0025609700000000 ] - [ -0.0004392800000000, 0.0000068200000000, -0.0005969700000000 ] - [ -0.0002579100000000, 0.0002067000000000, 0.0003109800000000 ] - [ -0.0014896900000000, -0.0026763700000000, -0.0014698500000000 ] - [ 0.0037554100000000, 0.0036020800000000, 0.0034867500000000 ] - [ -0.0040963200000000, -0.0040226000000000, 0.0006100800000000 ] - [ 0.0023672000000000, -0.0012798100000000, -0.0001487200000000 ] - [ -0.0020015400000000, 0.0016405700000000, -0.0008897100000000 ] - [ 0.0013457200000000, -0.0002714500000000, 0.0002173600000000 ] - [ 0.0006369300000000, 0.0005643100000000, -0.0005049700000000 ] - [ 0.0001077700000000, 0.0004667800000000, 0.0009661200000000 ] - [ 0.0001319800000000, -0.0003350800000000, -0.0007127100000000 ] - [ 0.0001812100000000, 0.0003815200000000, 0.0004269000000000 ] - [ -0.4139264100000000, -0.0699165600000000, 0.0577004800000000 ] - [ 0.0071934100000000, 0.0004400300000000, 0.0007802600000000 ] - [ -0.0006165000000000, 0.0005487800000000, -0.0001745000000000 ] - [ 0.0008343900000000, 0.0001088700000000, -0.0003384700000000 ] - [ -0.0014186700000000, 0.0000131900000000, -0.0005150500000000 ] - [ -0.0001822600000000, -0.0006730600000000, 0.0018347300000000 ] - [ -0.0033160900000000, 0.0011521000000000, -0.0011827700000000 ] - [ 0.0030601100000000, -0.0013787600000000, -0.0028515000000000 ] - [ -0.0001082300000000, -0.0005578300000000, 0.0001531600000000 ] - [ 0.0011274700000000, 0.0011921900000000, 0.0019540200000000 ] - [ 0.0018652900000000, -0.0006434700000000, -0.0030416900000000 ] - [ 0.0010642100000000, 0.0022743000000000, 0.0035218300000000 ] - [ 0.0002833900000000, 0.0004598600000000, 0.0004952100000000 ] - [ 0.0004919600000000, 0.0002548900000000, 0.0007327800000000 ] - [ 0.0003138600000000, 0.0001254000000000, -0.0002571200000000 ] - [ -0.0015413100000000, -0.0012124500000000, 0.0014537400000000 ] - [ 0.0001853100000000, 0.0026898300000000, -0.0016412200000000 ] - [ 0.0029138900000000, -0.0032401500000000, 0.0001427000000000 ] - [ -0.0009413500000000, -0.0000949700000000, 0.0007164800000000 ] - [ 0.0003764300000000, 0.0020632300000000, -0.0007913600000000 ] - [ -0.0010868200000000, -0.0001577800000000, -0.0017840400000000 ] - [ 0.0010476700000000, 0.0000756200000000, -0.0002031500000000 ] - [ -0.0005520300000000, 0.0000998000000000, 0.0002689500000000 ] - [ 0.0002763700000000, 0.0004541300000000, 0.0001200600000000 ] - [ 0.0390485200000000, 0.0052512500000000, -0.0126769400000000 ] - [ 0.0226227800000000, -0.0054498800000000, 0.0088023700000000 ] - [ -0.0001521600000000, 0.0013893200000000, -0.0011368000000000 ] - [ -0.0002554400000000, -0.0005120300000000, 0.0007525100000000 ] - [ -0.0002756100000000, 0.0001404800000000, 0.0018210700000000 ] - [ 0.0010674600000000, -0.0000161900000000, 0.0000996300000000 ]- atom: 51 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ -0.0028506600000000, -0.0017462900000000, -0.0006215400000000 ] - [ 0.0028713300000000, 0.0009977100000000, 0.0009206400000000 ] - [ -0.0866910700000000, -0.0481080500000000, -0.0455272200000000 ] - [ 0.0113445500000000, -0.0127300900000000, -0.0000326400000000 ] - [ -0.0031564000000000, 0.0019150500000000, -0.0022685100000000 ] - [ 0.0014609300000000, 0.0006247900000000, 0.0011415800000000 ] - [ 0.0020903700000000, -0.0014478600000000, -0.0018110500000000 ] - [ -0.0014127700000000, 0.0019049100000000, 0.0053486800000000 ] - [ -0.0005672900000000, 0.0018170600000000, -0.0010062700000000 ] - [ 0.0021314400000000, 0.0006083800000000, 0.0002860800000000 ] - [ -0.0039465100000000, -0.0115887200000000, -0.0063640800000000 ] - [ 0.0021713600000000, 0.0112003400000000, 0.0042005200000000 ] - [ -0.0024213600000000, 0.0093774300000000, -0.0047052500000000 ] - [ 0.0016135200000000, -0.0038031900000000, 0.0003591900000000 ] - [ -0.0002314800000000, 0.0005131700000000, -0.0008683300000000 ] - [ -0.0009581400000000, -0.0023318700000000, 0.0007370200000000 ] - [ -0.0002506800000000, -0.0003260300000000, -0.0009230400000000 ] - [ -0.0003410300000000, -0.0002876400000000, 0.0001316200000000 ] - [ -0.2746777800000000, -0.0002463800000000, 0.1167761400000000 ] - [ 0.0066586600000000, 0.0012851800000000, -0.0034312900000000 ] - [ -0.0005099700000000, 0.0002791900000000, -0.0001102500000000 ] - [ -0.0000277700000000, 0.0003391200000000, -0.0005592200000000 ] - [ 0.0001048300000000, 0.0001081100000000, -0.0001306100000000 ] - [ 0.0012467000000000, -0.0000398900000000, 0.0000701600000000 ] - [ -0.0003789600000000, 0.0004506100000000, -0.0000707800000000 ] - [ -0.0004808300000000, 0.0003597600000000, 0.0001523900000000 ] - [ -0.0002060200000000, 0.0014596600000000, -0.0009639300000000 ] - [ 0.0014544800000000, -0.0013226900000000, 0.0014975800000000 ] - [ -0.0007323000000000, -0.0004150900000000, 0.0000342200000000 ] - [ -0.0003216300000000, 0.0000049200000000, 0.0002864200000000 ] - [ -0.0008540200000000, 0.0000534000000000, -0.0014472500000000 ] - [ 0.0006174600000000, -0.0001474300000000, 0.0008856500000000 ] - [ 0.0004793600000000, -0.0002520200000000, 0.0009405300000000 ] - [ -0.0004109800000000, 0.0005784500000000, -0.0001851500000000 ] - [ -0.0083986100000000, -0.0170347400000000, 0.0031132900000000 ] - [ -0.0032636100000000, 0.0041264700000000, -0.0017915800000000 ] - [ 0.0001441100000000, 0.0025457400000000, 0.0028163400000000 ] - [ 0.0000017300000000, -0.0029639000000000, -0.0016594000000000 ] - [ -0.0003121100000000, -0.0003733800000000, -0.0000686800000000 ] - [ -0.0004919700000000, -0.0005735200000000, -0.0009743900000000 ] - [ 0.0011154500000000, 0.0022463600000000, 0.0005977800000000 ] - [ -0.0041336400000000, -0.0040273200000000, -0.0043618600000000 ] - [ 0.0046396800000000, 0.0036887400000000, -0.0003313500000000 ] - [ -0.0018280800000000, 0.0009791900000000, 0.0004687900000000 ] - [ 0.0016305300000000, -0.0012245500000000, 0.0000119700000000 ] - [ -0.0017165200000000, 0.0006904000000000, -0.0010906300000000 ] - [ -0.0000995600000000, -0.0002655700000000, 0.0008203200000000 ] - [ 0.0004224800000000, -0.0001751300000000, -0.0006466600000000 ] - [ 0.0001481800000000, 0.0002827700000000, 0.0002941500000000 ] - [ 0.0000953300000000, -0.0004293700000000, -0.0008400500000000 ] - [ 0.4298697600000000, 0.0690737300000000, -0.0696612100000000 ] - [ -0.0085152100000000, 0.0001753900000000, 0.0002313100000000 ] - [ 0.0008917100000000, -0.0004964500000000, -0.0002388200000000 ] - [ -0.0005555100000000, -0.0000582200000000, -0.0000783400000000 ] - [ 0.0000408700000000, -0.0006276200000000, 0.0015268500000000 ] - [ -0.0011993100000000, 0.0000542200000000, -0.0008132800000000 ] - [ 0.0034198100000000, -0.0013199900000000, 0.0008395300000000 ] - [ -0.0029043900000000, 0.0012443900000000, 0.0025377800000000 ] - [ 0.0009528200000000, 0.0001558300000000, 0.0011088300000000 ] - [ -0.0002852300000000, -0.0015821400000000, -0.0006892100000000 ] - [ -0.0017184500000000, 0.0007578100000000, 0.0027302600000000 ] - [ -0.0009936900000000, -0.0021817800000000, -0.0038188100000000 ] - [ 0.0005579700000000, -0.0000578600000000, 0.0007606900000000 ] - [ 0.0003478300000000, 0.0001477600000000, 0.0005220800000000 ] - [ -0.0014888900000000, -0.0010806800000000, 0.0012725300000000 ] - [ 0.0003620400000000, 0.0002563200000000, -0.0004370500000000 ] - [ 0.0004694000000000, -0.0030449300000000, 0.0005645200000000 ] - [ -0.0022395400000000, 0.0028637000000000, -0.0012391200000000 ] - [ -0.0002386700000000, 0.0010517200000000, 0.0003012900000000 ] - [ -0.0015445100000000, -0.0010971700000000, 0.0017916700000000 ] - [ 0.0017540300000000, 0.0004971500000000, 0.0006972700000000 ] - [ -0.0003838700000000, 0.0002632000000000, -0.0008955300000000 ] - [ 0.0001605400000000, 0.0003962300000000, -0.0001346800000000 ] - [ -0.0006672500000000, 0.0000570500000000, 0.0000194700000000 ] - [ -0.0376317500000000, -0.0057498900000000, 0.0129961700000000 ] - [ -0.0207207800000000, 0.0048300300000000, -0.0082504200000000 ] - [ -0.0002390300000000, -0.0018881800000000, 0.0012703800000000 ] - [ -0.0001381400000000, 0.0000045100000000, -0.0006116600000000 ] - [ 0.0016123000000000, 0.0003094900000000, -0.0015575500000000 ] - [ 0.0002544000000000, 0.0004701900000000, 0.0001550400000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0082607700000000, -0.0061010400000000, -0.0073662700000000 ] - [ -0.0024997800000000, -0.0021799500000000, -0.0017632900000000 ] - [ 0.0428286000000000, 0.0678766900000000, 0.0461143100000000 ] - [ 0.0006908400000000, 0.0072131200000000, 0.0005811200000000 ] - [ -0.0013182800000000, -0.0035109800000000, -0.0028488200000000 ] - [ -0.0008144600000000, -0.0020318500000000, -0.0007484500000000 ] - [ 0.0020160200000000, 0.0003268400000000, -0.0011374400000000 ] - [ -0.0001458500000000, -0.0009448800000000, -0.0021389500000000 ] - [ 0.0000397800000000, -0.0035689200000000, -0.0009535500000000 ] - [ 0.0010363700000000, -0.0020865600000000, -0.0000579900000000 ] - [ 0.0069304000000000, -0.0022789500000000, -0.0036099300000000 ] - [ -0.0032055800000000, -0.0016767300000000, -0.0011782200000000 ] - [ -0.0000232500000000, -0.0086384700000000, 0.0041627000000000 ] - [ 0.0016094900000000, -0.0018186200000000, 0.0007928100000000 ] - [ 0.0005943800000000, 0.0017298900000000, -0.0032735800000000 ] - [ -0.0003456500000000, 0.0034492900000000, -0.0000941800000000 ] - [ -0.0001911500000000, -0.0004119200000000, -0.0005243600000000 ] - [ -0.0003100800000000, -0.0003882200000000, -0.0004676900000000 ] - [ 0.0127530700000000, 0.0188530400000000, 0.0065731900000000 ] - [ 0.0014389000000000, 0.0004548600000000, -0.0005085500000000 ] - [ -0.0004253800000000, -0.0001091400000000, 0.0002206300000000 ] - [ -0.0002640500000000, 0.0000892500000000, -0.0002395400000000 ] - [ 0.0009579800000000, 0.0001024800000000, -0.0001580800000000 ] - [ 0.0003247800000000, 0.0002501000000000, -0.0000211200000000 ] - [ -0.0004340400000000, 0.0000434800000000, 0.0000527300000000 ] - [ -0.0006129600000000, -0.0000876500000000, 0.0001079500000000 ] - [ -0.0008717300000000, -0.0007143400000000, 0.0019685400000000 ] - [ 0.0000078500000000, 0.0006719700000000, 0.0008136300000000 ] - [ -0.0004347300000000, -0.0005695500000000, 0.0000956300000000 ] - [ -0.0003335800000000, -0.0008024200000000, -0.0001272000000000 ] - [ 0.0000827600000000, 0.0007449200000000, 0.0014188700000000 ] - [ 0.0001297900000000, 0.0002352200000000, 0.0003747300000000 ] - [ -0.0003873000000000, -0.0006028600000000, 0.0024085000000000 ] - [ 0.0002220200000000, -0.0003058500000000, 0.0008653400000000 ] - [ 0.0043837100000000, 0.0039758300000000, 0.0001701100000000 ] - [ -0.0021027500000000, -0.0004179900000000, -0.0001149100000000 ] - [ -0.0000033700000000, 0.0049000600000000, 0.0044328000000000 ] - [ 0.0003606500000000, 0.0012539500000000, 0.0010335000000000 ] - [ -0.0001604400000000, 0.0004533500000000, -0.0003828400000000 ] - [ -0.0002870800000000, 0.0002093300000000, -0.0003950000000000 ] - [ -0.0021420800000000, -0.0015928700000000, -0.0002923600000000 ] - [ 0.0034632500000000, 0.0015821100000000, 0.0026246200000000 ] - [ -0.0023792600000000, 0.0168870000000000, 0.0093084100000000 ] - [ 0.0005128100000000, -0.0003422400000000, 0.0003314800000000 ] - [ -0.0002101400000000, 0.0007926100000000, 0.0001057000000000 ] - [ -0.0002094700000000, 0.0004226900000000, -0.0000796200000000 ] - [ 0.0001542100000000, 0.0006162200000000, 0.0007601200000000 ] - [ 0.0006895000000000, 0.0008355400000000, 0.0003442200000000 ] - [ -0.0001970200000000, 0.0006470200000000, 0.0002162300000000 ] - [ 0.0003728400000000, 0.0006704200000000, 0.0001780300000000 ] - [ -0.0725685500000000, -0.0990480100000000, -0.0600440000000000 ] - [ -0.0005471800000000, -0.0007592600000000, 0.0011416000000000 ] - [ 0.0004409000000000, 0.0013404300000000, -0.0007306100000000 ] - [ 0.0001094900000000, 0.0007056200000000, -0.0003373900000000 ] - [ -0.0010142400000000, -0.0007990200000000, 0.0007720000000000 ] - [ -0.0003272700000000, -0.0007895900000000, 0.0007169100000000 ] - [ 0.0003852300000000, -0.0012146600000000, 0.0021965800000000 ] - [ 0.0006102700000000, -0.0010661100000000, -0.0011608500000000 ] - [ -0.0007496300000000, 0.0003604300000000, -0.0000415200000000 ] - [ 0.0012475200000000, 0.0008607700000000, 0.0011869100000000 ] - [ -0.0015212900000000, -0.0005822700000000, 0.0025430500000000 ] - [ 0.0017351100000000, 0.0011035900000000, 0.0018132600000000 ] - [ 0.0000445900000000, 0.0006980600000000, 0.0002158200000000 ] - [ 0.0003689300000000, 0.0006558300000000, 0.0002676900000000 ] - [ -0.0004299300000000, 0.0001934000000000, 0.0002180300000000 ] - [ 0.0008274400000000, 0.0015951400000000, -0.0009555500000000 ] - [ 0.0024436600000000, 0.0022130200000000, -0.0016553700000000 ] - [ -0.0041745200000000, 0.0005552500000000, -0.0026507600000000 ] - [ -0.0008282200000000, 0.0005674500000000, 0.0000236400000000 ] - [ -0.0001501100000000, 0.0014369100000000, -0.0000100900000000 ] - [ -0.0002549900000000, -0.0003608800000000, -0.0016983700000000 ] - [ 0.0005292200000000, -0.0001761100000000, -0.0003644100000000 ] - [ -0.0004236200000000, 0.0049377000000000, 0.0017581000000000 ] - [ 0.0000771300000000, 0.0015155700000000, 0.0005350700000000 ] - [ 0.0085976000000000, -0.0050280800000000, -0.0032843900000000 ] - [ -0.0040980800000000, -0.0036464100000000, -0.0010880100000000 ] - [ -0.0003257500000000, 0.0027654300000000, -0.0002494700000000 ] - [ -0.0003604400000000, 0.0010265300000000, -0.0001352600000000 ] - [ 0.0006049000000000, -0.0013680700000000, 0.0021711500000000 ] - [ 0.0002004900000000, -0.0017979400000000, 0.0012722900000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0093180400000000, 0.0057371700000000, 0.0063508500000000 ] - [ 0.0013385400000000, 0.0018323000000000, 0.0008014700000000 ] - [ -0.0402179600000000, -0.0654890300000000, -0.0431691200000000 ] - [ -0.0004007000000000, -0.0056474200000000, 0.0006762200000000 ] - [ 0.0001905800000000, 0.0038525000000000, 0.0019127100000000 ] - [ -0.0003409200000000, 0.0023778200000000, -0.0002173000000000 ] - [ -0.0016792300000000, -0.0017899500000000, 0.0023826100000000 ] - [ 0.0005007900000000, -0.0005257000000000, 0.0033697900000000 ] - [ 0.0016347600000000, 0.0050350100000000, -0.0002407000000000 ] - [ 0.0006274200000000, 0.0035714100000000, -0.0011287700000000 ] - [ -0.0081239400000000, 0.0017067100000000, 0.0028007600000000 ] - [ 0.0019381400000000, 0.0011556700000000, 0.0002884300000000 ] - [ 0.0016855500000000, 0.0071282300000000, -0.0053140500000000 ] - [ 0.0000662900000000, 0.0003639400000000, -0.0019658600000000 ] - [ -0.0018903200000000, -0.0012655800000000, 0.0024350500000000 ] - [ -0.0009268800000000, -0.0030011000000000, -0.0007725600000000 ] - [ -0.0003789700000000, -0.0001751500000000, -0.0001536100000000 ] - [ -0.0002601300000000, -0.0001988900000000, -0.0002142500000000 ] - [ -0.0085048800000000, -0.0191159800000000, -0.0078936000000000 ] - [ 0.0001984400000000, -0.0005045400000000, 0.0004660400000000 ] - [ -0.0001437600000000, 0.0006948700000000, -0.0008987200000000 ] - [ -0.0003072800000000, 0.0004973800000000, -0.0004396000000000 ] - [ 0.0006936700000000, -0.0000543100000000, 0.0001095300000000 ] - [ 0.0013229100000000, -0.0002023600000000, -0.0000277200000000 ] - [ -0.0004338400000000, 0.0006647000000000, 0.0000835200000000 ] - [ -0.0002573800000000, 0.0007960100000000, 0.0000251600000000 ] - [ 0.0011966400000000, 0.0008831000000000, -0.0011956700000000 ] - [ 0.0003015200000000, -0.0004986200000000, -0.0000370000000000 ] - [ -0.0004324400000000, -0.0001390600000000, 0.0000405900000000 ] - [ -0.0005342700000000, 0.0000925100000000, 0.0002606300000000 ] - [ 0.0002400300000000, -0.0009179600000000, -0.0006411000000000 ] - [ 0.0001807800000000, -0.0004089000000000, 0.0004006100000000 ] - [ 0.0005672600000000, 0.0004035900000000, -0.0014966600000000 ] - [ -0.0000374000000000, 0.0001198100000000, 0.0000239800000000 ] - [ -0.0050146800000000, -0.0035010600000000, -0.0008776200000000 ] - [ 0.0013532300000000, 0.0007574400000000, -0.0005433100000000 ] - [ 0.0001870000000000, -0.0047621700000000, -0.0035809000000000 ] - [ -0.0001792400000000, -0.0010531300000000, -0.0001339900000000 ] - [ -0.0005907200000000, -0.0008109300000000, -0.0002753000000000 ] - [ -0.0004643500000000, -0.0005709800000000, -0.0002630900000000 ] - [ 0.0017516000000000, 0.0011497300000000, -0.0005854700000000 ] - [ -0.0038407100000000, -0.0020105200000000, -0.0035003300000000 ] - [ 0.0028594800000000, -0.0167576500000000, -0.0088180700000000 ] - [ 0.0000290200000000, 0.0000354400000000, -0.0000145700000000 ] - [ -0.0001719500000000, -0.0003638400000000, -0.0009813700000000 ] - [ -0.0001577400000000, -0.0000022700000000, -0.0007901300000000 ] - [ 0.0003813000000000, -0.0003127600000000, -0.0004431000000000 ] - [ -0.0001566000000000, -0.0005349400000000, -0.0000208100000000 ] - [ 0.0004716000000000, -0.0006987500000000, -0.0006325300000000 ] - [ -0.0000940300000000, -0.0007198100000000, -0.0005911100000000 ] - [ 0.0658535700000000, 0.0987067600000000, 0.0605963400000000 ] - [ -0.0008062100000000, 0.0013731400000000, -0.0001184100000000 ] - [ -0.0001668400000000, -0.0012890800000000, 0.0003117000000000 ] - [ 0.0001708900000000, -0.0006555400000000, -0.0000786900000000 ] - [ -0.0003711100000000, 0.0001850400000000, 0.0002425700000000 ] - [ -0.0010527300000000, 0.0001713700000000, 0.0003082200000000 ] - [ -0.0002537000000000, 0.0010272200000000, -0.0025425400000000 ] - [ -0.0004629700000000, 0.0009317600000000, 0.0008484700000000 ] - [ 0.0015692800000000, -0.0007631200000000, 0.0012824500000000 ] - [ -0.0003987200000000, -0.0012591700000000, 0.0000764000000000 ] - [ 0.0016617800000000, 0.0007166800000000, -0.0028567900000000 ] - [ -0.0016239000000000, -0.0009784900000000, -0.0021069600000000 ] - [ 0.0007951900000000, -0.0002940500000000, 0.0010402900000000 ] - [ 0.0004754400000000, -0.0002523400000000, 0.0009965100000000 ] - [ -0.0007463200000000, -0.0011477900000000, 0.0007969600000000 ] - [ -0.0020105300000000, -0.0025489100000000, 0.0019824700000000 ] - [ -0.0018096600000000, -0.0025739000000000, 0.0005730700000000 ] - [ 0.0048863500000000, -0.0009049000000000, 0.0015809500000000 ] - [ -0.0003530800000000, 0.0003847400000000, 0.0009930700000000 ] - [ -0.0010207900000000, -0.0004801400000000, 0.0010209900000000 ] - [ 0.0009181100000000, 0.0006976800000000, 0.0006055600000000 ] - [ 0.0001384400000000, 0.0005106900000000, -0.0007313000000000 ] - [ 0.0000255200000000, -0.0043890800000000, -0.0016041400000000 ] - [ -0.0004695600000000, -0.0010070300000000, -0.0003949100000000 ] - [ -0.0070349900000000, 0.0046409700000000, 0.0034777200000000 ] - [ 0.0054857100000000, 0.0031115100000000, 0.0013914500000000 ] - [ -0.0000661000000000, -0.0032730100000000, 0.0003821400000000 ] - [ -0.0000336400000000, -0.0015378000000000, 0.0002793200000000 ] - [ 0.0007147100000000, 0.0018242100000000, -0.0019072700000000 ] - [ 0.0011276800000000, 0.0022506000000000, -0.0010155900000000 ]- atom: 51 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ 0.0002076900000000, -0.0026401900000000, -0.0003596400000000 ] - [ 0.0007372800000000, -0.0003919300000000, 0.0006449300000000 ] - [ -0.0097458900000000, 0.0147456000000000, 0.0368817900000000 ] - [ 0.0066708400000000, -0.0083725900000000, 0.0008146700000000 ] - [ -0.0016177700000000, 0.0005848500000000, -0.0019057900000000 ] - [ 0.0001696500000000, 0.0003148100000000, 0.0005320100000000 ] - [ 0.0029468700000000, 0.0004816300000000, -0.0017724400000000 ] - [ -0.0023350200000000, -0.0013934500000000, 0.0012852300000000 ] - [ -0.0002263600000000, 0.0011662100000000, -0.0008185800000000 ] - [ 0.0015264200000000, 0.0002291400000000, -0.0002946700000000 ] - [ 0.0018217100000000, -0.0077654600000000, -0.0010092600000000 ] - [ -0.0004538600000000, 0.0066176600000000, 0.0041659900000000 ] - [ -0.0008697700000000, 0.0085445600000000, -0.0036131500000000 ] - [ 0.0005004200000000, -0.0022697000000000, -0.0003376900000000 ] - [ 0.0042659000000000, -0.0036110900000000, -0.0070797600000000 ] - [ -0.0019933200000000, 0.0004349200000000, -0.0032885900000000 ] - [ -0.0001672400000000, -0.0003633300000000, -0.0008704400000000 ] - [ -0.0003887400000000, -0.0003291200000000, -0.0001226200000000 ] - [ -0.2297665300000000, 0.0090173100000000, 0.1135874400000000 ] - [ 0.0029544000000000, 0.0002427700000000, -0.0012791400000000 ] - [ -0.0004584200000000, 0.0002041400000000, 0.0000202400000000 ] - [ -0.0001053000000000, 0.0003127100000000, -0.0005154300000000 ] - [ 0.0012956700000000, -0.0001073500000000, -0.0004919500000000 ] - [ 0.0002588800000000, 0.0003124600000000, -0.0000108300000000 ] - [ -0.0003631800000000, 0.0003723200000000, -0.0000084300000000 ] - [ -0.0005059200000000, 0.0003105400000000, 0.0001026700000000 ] - [ 0.0003478500000000, 0.0014040400000000, -0.0003184800000000 ] - [ 0.0006760400000000, -0.0003556900000000, 0.0008534400000000 ] - [ -0.0005286000000000, -0.0003968300000000, 0.0000498300000000 ] - [ -0.0004192900000000, -0.0001785600000000, 0.0002753300000000 ] - [ 0.0011425700000000, 0.0005345500000000, -0.0025256200000000 ] - [ 0.0001186100000000, 0.0001755500000000, 0.0004042200000000 ] - [ -0.0002832800000000, 0.0013424700000000, 0.0003049700000000 ] - [ 0.0000469200000000, -0.0001541000000000, 0.0008320800000000 ] - [ -0.0109616200000000, -0.0164459400000000, 0.0018530400000000 ] - [ -0.0006586700000000, 0.0018932300000000, -0.0014806300000000 ] - [ 0.0000295200000000, 0.0019724800000000, 0.0022242800000000 ] - [ 0.0002579700000000, -0.0017647800000000, -0.0010327200000000 ] - [ -0.0004579700000000, -0.0007408900000000, -0.0001524700000000 ] - [ -0.0003530500000000, 0.0001585000000000, -0.0002601300000000 ] - [ -0.0002483500000000, 0.0011573800000000, -0.0002887000000000 ] - [ 0.0008299500000000, 0.0003966400000000, -0.0009873300000000 ] - [ 0.0036269100000000, 0.0030986500000000, -0.0014360200000000 ] - [ -0.0008267700000000, 0.0005017400000000, 0.0001568400000000 ] - [ 0.0004271500000000, 0.0000888100000000, -0.0001779100000000 ] - [ -0.0008954800000000, 0.0001972100000000, -0.0006668700000000 ] - [ -0.0003220500000000, -0.0003288900000000, 0.0007784900000000 ] - [ 0.0006039100000000, 0.0002264600000000, -0.0001991400000000 ] - [ -0.0001265000000000, 0.0004465200000000, 0.0001792500000000 ] - [ 0.0002767000000000, -0.0000333400000000, -0.0005418400000000 ] - [ 0.2763629600000000, -0.0163466300000000, -0.1619297600000000 ] - [ -0.0044459600000000, 0.0007813400000000, 0.0001547700000000 ] - [ 0.0006566500000000, -0.0001996700000000, -0.0003875400000000 ] - [ -0.0002588700000000, -0.0000366100000000, -0.0000925400000000 ] - [ -0.0012051600000000, -0.0007009900000000, 0.0012876800000000 ] - [ 0.0001958000000000, -0.0003013800000000, 0.0000700200000000 ] - [ 0.0010824100000000, 0.0071698500000000, 0.0172267200000000 ] - [ -0.0021733900000000, 0.0007208100000000, 0.0024979400000000 ] - [ 0.0006245100000000, -0.0000097200000000, 0.0007523100000000 ] - [ -0.0001472500000000, -0.0012616600000000, -0.0007049100000000 ] - [ -0.0016473500000000, 0.0005995300000000, 0.0018185200000000 ] - [ 0.0016889800000000, 0.0003264400000000, -0.0017023000000000 ] - [ 0.0004904600000000, 0.0001743800000000, 0.0008590400000000 ] - [ 0.0005001800000000, 0.0001895100000000, 0.0006490500000000 ] - [ -0.0012136500000000, -0.0007296000000000, 0.0009959000000000 ] - [ 0.0003185200000000, 0.0003691400000000, -0.0004039100000000 ] - [ 0.0000822300000000, -0.0019190100000000, -0.0004129500000000 ] - [ -0.0022065400000000, 0.0010261300000000, -0.0013526000000000 ] - [ -0.0000030100000000, 0.0005797300000000, 0.0003679500000000 ] - [ -0.0018419500000000, -0.0000772000000000, 0.0022440400000000 ] - [ 0.0007930000000000, -0.0001044700000000, 0.0013795500000000 ] - [ 0.0011735400000000, 0.0009654300000000, 0.0011171100000000 ] - [ -0.0000205700000000, 0.0009823500000000, 0.0000080100000000 ] - [ -0.0005171100000000, 0.0002254300000000, 0.0001001200000000 ] - [ -0.0269501900000000, -0.0046429300000000, 0.0063876400000000 ] - [ -0.0093276600000000, 0.0039716700000000, -0.0082614300000000 ] - [ -0.0004059900000000, -0.0013160100000000, 0.0010742400000000 ] - [ -0.0000725000000000, -0.0001830800000000, -0.0003293000000000 ] - [ 0.0018050900000000, 0.0012721400000000, 0.0033718000000000 ] - [ 0.0000019000000000, -0.0013675600000000, 0.0011143400000000 ]- atom: 51 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ -0.0013813800000000, 0.0023001100000000, -0.0005569300000000 ] - [ -0.0018779700000000, 0.0000438300000000, -0.0015933800000000 ] - [ 0.0095628700000000, -0.0136672900000000, -0.0362625700000000 ] - [ -0.0063293300000000, 0.0098982100000000, 0.0004300400000000 ] - [ 0.0004709500000000, -0.0002209600000000, 0.0009509500000000 ] - [ -0.0013121900000000, 0.0000445300000000, -0.0014881700000000 ] - [ -0.0025995000000000, -0.0019293700000000, 0.0030269100000000 ] - [ 0.0026680600000000, -0.0000554500000000, -0.0000131200000000 ] - [ 0.0018989500000000, 0.0003362700000000, -0.0003596400000000 ] - [ 0.0001470900000000, 0.0012560300000000, -0.0008802100000000 ] - [ -0.0032171000000000, 0.0073687500000000, 0.0000750300000000 ] - [ -0.0007757200000000, -0.0070802900000000, -0.0050564100000000 ] - [ 0.0025438400000000, -0.0100120600000000, 0.0024205700000000 ] - [ 0.0011661100000000, 0.0007830800000000, -0.0008549500000000 ] - [ -0.0055014600000000, 0.0040242200000000, 0.0062070400000000 ] - [ 0.0007277900000000, 0.0000007200000000, 0.0024570300000000 ] - [ -0.0004020000000000, -0.0002242700000000, 0.0001897200000000 ] - [ -0.0001809000000000, -0.0002580100000000, -0.0005568500000000 ] - [ 0.2163345700000000, -0.0094668900000000, -0.1109384500000000 ] - [ -0.0012714500000000, -0.0002767900000000, 0.0012062200000000 ] - [ -0.0001108900000000, 0.0003840800000000, -0.0007013100000000 ] - [ -0.0004639900000000, 0.0002744200000000, -0.0001653900000000 ] - [ 0.0003544300000000, 0.0001559600000000, 0.0004451900000000 ] - [ 0.0013890500000000, -0.0002623300000000, -0.0000385300000000 ] - [ -0.0005043500000000, 0.0003371900000000, 0.0001437200000000 ] - [ -0.0003618300000000, 0.0003989700000000, 0.0000335800000000 ] - [ -0.0000188300000000, -0.0012205400000000, 0.0010833800000000 ] - [ -0.0003564500000000, 0.0005148000000000, -0.0000665800000000 ] - [ -0.0003397100000000, -0.0003119000000000, 0.0000855400000000 ] - [ -0.0004470300000000, -0.0005288500000000, -0.0001408600000000 ] - [ -0.0008484200000000, -0.0007203100000000, 0.0033276000000000 ] - [ 0.0001951500000000, -0.0003469400000000, 0.0003717100000000 ] - [ 0.0004626000000000, -0.0015079500000000, 0.0005700700000000 ] - [ 0.0001357100000000, -0.0000250000000000, 0.0000510200000000 ] - [ 0.0103717300000000, 0.0169670700000000, -0.0025373900000000 ] - [ -0.0000947200000000, -0.0015327400000000, 0.0008229100000000 ] - [ 0.0001533000000000, -0.0017930100000000, -0.0013404700000000 ] - [ -0.0000777600000000, 0.0019457800000000, 0.0019224300000000 ] - [ -0.0002944400000000, 0.0003690400000000, -0.0005102900000000 ] - [ -0.0003974600000000, -0.0005263900000000, -0.0004077800000000 ] - [ -0.0001268500000000, -0.0015770800000000, -0.0005878600000000 ] - [ -0.0012275300000000, -0.0008353900000000, 0.0000864600000000 ] - [ -0.0030435800000000, -0.0034142100000000, 0.0016939500000000 ] - [ 0.0013619900000000, -0.0008049700000000, 0.0001613100000000 ] - [ -0.0007945700000000, 0.0003234800000000, -0.0006980500000000 ] - [ 0.0005238500000000, 0.0002185400000000, -0.0002073600000000 ] - [ 0.0008551000000000, 0.0006243900000000, -0.0004593000000000 ] - [ -0.0000701800000000, 0.0000668000000000, 0.0005157800000000 ] - [ 0.0004042400000000, -0.0004968800000000, -0.0005964300000000 ] - [ 0.0000009100000000, -0.0000177800000000, 0.0001252800000000 ] - [ -0.2621086100000000, 0.0175332300000000, 0.1606699800000000 ] - [ 0.0030349500000000, -0.0001737700000000, 0.0008711400000000 ] - [ -0.0003786700000000, 0.0002472800000000, -0.0000269700000000 ] - [ 0.0005357200000000, 0.0000850200000000, -0.0003221500000000 ] - [ -0.0001769700000000, 0.0000810200000000, -0.0002674900000000 ] - [ -0.0015758500000000, -0.0003166600000000, 0.0009451700000000 ] - [ -0.0008793700000000, -0.0072153600000000, -0.0171822300000000 ] - [ 0.0023119700000000, -0.0008526400000000, -0.0028071700000000 ] - [ 0.0002232900000000, -0.0003945500000000, 0.0005101500000000 ] - [ 0.0009877000000000, 0.0008630800000000, 0.0019669000000000 ] - [ 0.0018003800000000, -0.0004908400000000, -0.0021188700000000 ] - [ -0.0015798800000000, -0.0002194000000000, 0.0013944100000000 ] - [ 0.0003495300000000, 0.0002264000000000, 0.0003955900000000 ] - [ 0.0003412500000000, 0.0002116000000000, 0.0006097100000000 ] - [ 0.0000333300000000, -0.0002287800000000, 0.0000233400000000 ] - [ -0.0014999700000000, -0.0013343000000000, 0.0014264000000000 ] - [ 0.0005627800000000, 0.0015578500000000, -0.0006698800000000 ] - [ 0.0028980600000000, -0.0013449600000000, 0.0002712100000000 ] - [ -0.0011758800000000, 0.0003776300000000, 0.0006519100000000 ] - [ 0.0006647200000000, 0.0010328200000000, -0.0012268400000000 ] - [ -0.0001208900000000, 0.0004569800000000, -0.0024880900000000 ] - [ -0.0004947000000000, -0.0006109400000000, -0.0021822200000000 ] - [ -0.0003705300000000, -0.0004878800000000, 0.0001234400000000 ] - [ 0.0001236900000000, 0.0002819100000000, 0.0000390100000000 ] - [ 0.0281795200000000, 0.0041492600000000, -0.0061118700000000 ] - [ 0.0104995300000000, -0.0043927900000000, 0.0085852600000000 ] - [ 0.0000127400000000, 0.0008012300000000, -0.0009329500000000 ] - [ -0.0003203200000000, -0.0003286900000000, 0.0004698400000000 ] - [ -0.0004916700000000, -0.0008420100000000, -0.0031525900000000 ] - [ 0.0013134600000000, 0.0018056800000000, -0.0008493200000000 ]- atom: 57 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ 0.0008738200000000, 0.0028174200000000, -0.0077764000000000 ] - [ -0.0059138900000000, -0.0091778900000000, 0.0028713500000000 ] - [ 0.0320385100000000, 0.0084612000000000, -0.0299751600000000 ] - [ -0.0056939900000000, -0.0000727000000000, -0.0018095700000000 ] - [ -0.0007373300000000, 0.0008734500000000, 0.0006602800000000 ] - [ 0.0007115400000000, 0.0001388900000000, -0.0009467700000000 ] - [ -0.0040792400000000, -0.0071797900000000, 0.0034045600000000 ] - [ 0.0002266800000000, -0.0000139400000000, -0.0001294400000000 ] - [ 0.0015157600000000, 0.0003979500000000, -0.0013181500000000 ] - [ -0.0001580900000000, 0.0011673900000000, -0.0012086400000000 ] - [ 0.0003361400000000, 0.0084526200000000, 0.0050235300000000 ] - [ -0.0006601500000000, -0.0009493000000000, -0.0010944900000000 ] - [ -0.0034998000000000, -0.0006865700000000, 0.0043106000000000 ] - [ 0.0018998500000000, 0.0004792100000000, 0.0008331000000000 ] - [ 0.0460003900000000, -0.0169147400000000, -0.0475131500000000 ] - [ -0.0035730600000000, 0.0018304600000000, -0.0038260100000000 ] - [ -0.0006884700000000, -0.0000519400000000, 0.0000361000000000 ] - [ 0.0000314200000000, -0.0002433600000000, -0.0010166300000000 ] - [ 0.0027753300000000, 0.0000247900000000, -0.0019336900000000 ] - [ -0.0029283100000000, -0.0011557700000000, 0.0015609800000000 ] - [ -0.0001581400000000, 0.0003385600000000, -0.0006031700000000 ] - [ -0.0004297800000000, 0.0002621600000000, -0.0000339900000000 ] - [ -0.0005086900000000, 0.0003111700000000, 0.0003132800000000 ] - [ 0.0034389300000000, 0.0003541700000000, -0.0019326400000000 ] - [ -0.0005558500000000, 0.0004254800000000, 0.0000502000000000 ] - [ -0.0002687700000000, 0.0003352900000000, 0.0001173900000000 ] - [ 0.0001795200000000, -0.0006313500000000, -0.0001974800000000 ] - [ -0.0004655400000000, 0.0008010400000000, -0.0002007000000000 ] - [ -0.0004050600000000, -0.0003633100000000, -0.0001993600000000 ] - [ -0.0000089600000000, -0.0000262000000000, -0.0007156800000000 ] - [ -0.0003360800000000, -0.0001464700000000, 0.0010467700000000 ] - [ 0.0005618500000000, -0.0004932200000000, 0.0013843600000000 ] - [ -0.0005265300000000, -0.0053244900000000, 0.0040403500000000 ] - [ 0.0020848500000000, -0.0002386700000000, 0.0023866400000000 ] - [ 0.0015637400000000, 0.0032192900000000, -0.0056707600000000 ] - [ 0.0000193600000000, 0.0000310200000000, -0.0003226900000000 ] - [ 0.0003026500000000, -0.0017344600000000, -0.0012263600000000 ] - [ -0.0001616300000000, 0.0001893300000000, 0.0005893900000000 ] - [ -0.0005666900000000, 0.0017319700000000, 0.0005814900000000 ] - [ -0.0000841100000000, -0.0004079000000000, -0.0002404200000000 ] - [ 0.0043353800000000, -0.0025375900000000, 0.0018632100000000 ] - [ 0.0112841400000000, 0.0139395900000000, -0.0056892600000000 ] - [ -0.0042373300000000, 0.0020482600000000, 0.0025925200000000 ] - [ 0.0034952800000000, -0.0009018900000000, -0.0010032400000000 ] - [ -0.0003729600000000, 0.0000430100000000, -0.0007468700000000 ] - [ -0.0005710100000000, 0.0014050600000000, -0.0009117500000000 ] - [ 0.0008580600000000, 0.0006633200000000, -0.0004684500000000 ] - [ -0.0005052800000000, -0.0006557700000000, 0.0005307600000000 ] - [ 0.0006630500000000, -0.0008965800000000, -0.0002364100000000 ] - [ -0.0000321500000000, 0.0011422000000000, 0.0004309700000000 ] - [ -0.0040965300000000, 0.0006286700000000, -0.0002408800000000 ] - [ 0.0022899000000000, 0.0008423900000000, -0.0003324100000000 ] - [ 0.0000788000000000, -0.0003939800000000, -0.0000881900000000 ] - [ 0.0001453600000000, -0.0000475600000000, -0.0004644700000000 ] - [ 0.0010871900000000, 0.0012721900000000, -0.0004239800000000 ] - [ 0.0003506900000000, -0.0020059100000000, 0.0030119700000000 ] - [ -0.0869392000000000, 0.0042131200000000, 0.1003702100000000 ] - [ 0.0013720500000000, -0.0001830200000000, -0.0002423300000000 ] - [ -0.0000991300000000, -0.0002504800000000, 0.0009067800000000 ] - [ -0.0003034400000000, 0.0006010800000000, -0.0027737300000000 ] - [ 0.0023156000000000, 0.0001593900000000, -0.0040986500000000 ] - [ -0.0007474700000000, -0.0001493300000000, 0.0007291900000000 ] - [ 0.0009996000000000, 0.0001347300000000, 0.0012230700000000 ] - [ 0.0001003800000000, 0.0001517500000000, 0.0006518700000000 ] - [ -0.0001132500000000, -0.0004971500000000, 0.0003704900000000 ] - [ -0.0013641400000000, -0.0007826200000000, 0.0010655100000000 ] - [ 0.0002736200000000, -0.0001204100000000, -0.0001588500000000 ] - [ 0.0009859200000000, -0.0021137900000000, -0.0002421500000000 ] - [ -0.0010783600000000, 0.0004362500000000, 0.0008004500000000 ] - [ 0.0032302000000000, -0.0052662100000000, -0.0044384500000000 ] - [ 0.0029471400000000, -0.0001015400000000, -0.0003647200000000 ] - [ -0.0090045600000000, 0.0003564500000000, 0.0010549600000000 ] - [ -0.0006303300000000, -0.0001402800000000, 0.0009601900000000 ] - [ 0.0001820500000000, 0.0006191200000000, -0.0003370600000000 ] - [ 0.0020948100000000, 0.0011047200000000, 0.0024095700000000 ] - [ 0.0069978500000000, -0.0061704600000000, -0.0113156800000000 ] - [ 0.0006862400000000, -0.0010099200000000, -0.0005651200000000 ] - [ -0.0004096100000000, -0.0004830200000000, 0.0005378000000000 ] - [ 0.0017514700000000, 0.0000783200000000, -0.0002343900000000 ] - [ -0.0001722000000000, 0.0080371200000000, -0.0034515000000000 ]- atom: 57 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ -0.0020918300000000, -0.0031543100000000, 0.0068143300000000 ] - [ 0.0047509500000000, 0.0087887400000000, -0.0038084000000000 ] - [ -0.0312492600000000, -0.0066025300000000, 0.0296466500000000 ] - [ 0.0060280900000000, 0.0015388400000000, 0.0030729900000000 ] - [ -0.0004035400000000, -0.0005114500000000, -0.0016128500000000 ] - [ -0.0018528300000000, 0.0002231000000000, -0.0000037900000000 ] - [ 0.0044244600000000, 0.0057546800000000, -0.0021534600000000 ] - [ 0.0001267200000000, -0.0014426200000000, 0.0013787300000000 ] - [ 0.0001588600000000, 0.0010983700000000, 0.0001438000000000 ] - [ 0.0018232700000000, 0.0003156400000000, 0.0000249200000000 ] - [ -0.0015882700000000, -0.0088528300000000, -0.0058697700000000 ] - [ -0.0006188500000000, 0.0005255800000000, 0.0002348800000000 ] - [ 0.0051886100000000, -0.0007847800000000, -0.0054834700000000 ] - [ -0.0002241000000000, -0.0019525200000000, -0.0020000900000000 ] - [ -0.0477677300000000, 0.0178803500000000, 0.0481823100000000 ] - [ 0.0022915400000000, -0.0013900900000000, 0.0029428900000000 ] - [ 0.0001146800000000, -0.0005338500000000, -0.0007128700000000 ] - [ -0.0005988600000000, -0.0003418500000000, 0.0003306800000000 ] - [ -0.0011517100000000, -0.0000781300000000, 0.0018650700000000 ] - [ 0.0045634200000000, 0.0011011700000000, -0.0016038200000000 ] - [ -0.0004108600000000, 0.0002500000000000, -0.0000801800000000 ] - [ -0.0001411500000000, 0.0003245800000000, -0.0006445700000000 ] - [ 0.0021599800000000, -0.0002687400000000, -0.0003611900000000 ] - [ -0.0017844800000000, -0.0003199100000000, 0.0019069900000000 ] - [ -0.0003138200000000, 0.0002843300000000, 0.0000849200000000 ] - [ -0.0005971800000000, 0.0003739000000000, 0.0000180900000000 ] - [ 0.0001265300000000, 0.0008009300000000, 0.0009766100000000 ] - [ 0.0007753200000000, -0.0006245100000000, 0.0009756700000000 ] - [ -0.0004629800000000, -0.0003455400000000, 0.0003324600000000 ] - [ -0.0008603800000000, -0.0006776100000000, 0.0008474100000000 ] - [ 0.0006531500000000, -0.0000269600000000, -0.0002704100000000 ] - [ -0.0002538100000000, 0.0003001900000000, -0.0006047300000000 ] - [ 0.0007616000000000, 0.0051045300000000, -0.0031597000000000 ] - [ -0.0018831700000000, 0.0000558800000000, -0.0014763300000000 ] - [ -0.0023337100000000, -0.0028689300000000, 0.0050376600000000 ] - [ -0.0007663300000000, 0.0003382300000000, -0.0003589300000000 ] - [ -0.0001195100000000, 0.0019058700000000, 0.0021069500000000 ] - [ 0.0003461400000000, -0.0000128900000000, 0.0002954500000000 ] - [ -0.0001801300000000, -0.0020986100000000, -0.0012532200000000 ] - [ -0.0006674700000000, 0.0000412300000000, -0.0004221700000000 ] - [ -0.0047615800000000, 0.0021860200000000, -0.0027594900000000 ] - [ -0.0114482700000000, -0.0141192300000000, 0.0047758600000000 ] - [ 0.0047418500000000, -0.0023600200000000, -0.0022288900000000 ] - [ -0.0029378300000000, 0.0005977400000000, 0.0013058300000000 ] - [ -0.0000015300000000, 0.0003757800000000, -0.0001285700000000 ] - [ 0.0002010100000000, -0.0009931900000000, 0.0000366600000000 ] - [ -0.0003248100000000, -0.0003712900000000, 0.0007852800000000 ] - [ 0.0010360800000000, 0.0009483500000000, -0.0002113900000000 ] - [ -0.0003747600000000, 0.0008404400000000, -0.0001751700000000 ] - [ 0.0003055100000000, -0.0011745000000000, -0.0008350500000000 ] - [ 0.0026420100000000, -0.0000311300000000, 0.0012684300000000 ] - [ -0.0036582700000000, -0.0002221000000000, 0.0013483900000000 ] - [ 0.0001966300000000, 0.0004410800000000, -0.0003245300000000 ] - [ 0.0001333600000000, 0.0000928100000000, 0.0000484000000000 ] - [ -0.0024794200000000, -0.0018870500000000, 0.0014593200000000 ] - [ -0.0017171200000000, 0.0013700300000000, -0.0019777400000000 ] - [ 0.0868164000000000, -0.0053229900000000, -0.1004664200000000 ] - [ -0.0012362800000000, 0.0000577000000000, -0.0000500200000000 ] - [ 0.0009424000000000, -0.0001501200000000, 0.0003418800000000 ] - [ 0.0011261600000000, -0.0009931800000000, 0.0039994600000000 ] - [ -0.0021810100000000, -0.0000355000000000, 0.0038018300000000 ] - [ 0.0008819300000000, 0.0002731900000000, -0.0010207900000000 ] - [ -0.0001570300000000, 0.0002665000000000, 0.0000368500000000 ] - [ 0.0007375200000000, 0.0002484700000000, 0.0006027200000000 ] - [ -0.0010628900000000, -0.0004614900000000, 0.0006489200000000 ] - [ 0.0001809100000000, -0.0001782300000000, -0.0000440300000000 ] - [ 0.0003989400000000, -0.0002215800000000, -0.0009288500000000 ] - [ -0.0003139800000000, 0.0017605400000000, -0.0008442000000000 ] - [ -0.0001025300000000, 0.0005223300000000, 0.0002234600000000 ] - [ -0.0044190500000000, 0.0062395600000000, 0.0054833200000000 ] - [ -0.0022717900000000, 0.0004445600000000, -0.0007213200000000 ] - [ 0.0097388000000000, -0.0000304100000000, -0.0022157100000000 ] - [ 0.0002351900000000, 0.0006354500000000, -0.0008232500000000 ] - [ -0.0005739900000000, -0.0001083700000000, 0.0004757800000000 ] - [ -0.0007883800000000, -0.0015635000000000, -0.0021703100000000 ] - [ -0.0055063700000000, 0.0055862500000000, 0.0113945000000000 ] - [ -0.0010792200000000, 0.0004933300000000, 0.0007021400000000 ] - [ 0.0000148900000000, -0.0000309800000000, -0.0003933600000000 ] - [ -0.0004314900000000, 0.0003655100000000, 0.0004979000000000 ] - [ 0.0015266600000000, -0.0076082900000000, 0.0037426600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0056576800000000, -0.0059843800000000, 0.0050409600000000 ] - [ -0.0025717900000000, -0.0043404200000000, -0.0001975900000000 ] - [ 0.0190870900000000, 0.0366871900000000, -0.0309054400000000 ] - [ 0.0010506500000000, 0.0060217300000000, 0.0021513100000000 ] - [ -0.0009571000000000, -0.0020802700000000, -0.0007251500000000 ] - [ -0.0006228400000000, -0.0021599400000000, -0.0006289000000000 ] - [ -0.0006374800000000, -0.0031160900000000, 0.0013614000000000 ] - [ 0.0013231700000000, -0.0018921900000000, 0.0008503900000000 ] - [ 0.0004154300000000, -0.0042815700000000, -0.0019263400000000 ] - [ 0.0009128000000000, -0.0015234000000000, -0.0008208900000000 ] - [ -0.0001378800000000, -0.0052066300000000, -0.0027258000000000 ] - [ -0.0012384900000000, -0.0010674300000000, -0.0006181600000000 ] - [ -0.0003849600000000, -0.0009196100000000, 0.0011479000000000 ] - [ 0.0008697800000000, -0.0013798700000000, 0.0000206200000000 ] - [ -0.0207270900000000, 0.0425483600000000, 0.0358269700000000 ] - [ -0.0008350400000000, 0.0035611500000000, -0.0017624400000000 ] - [ 0.0002070800000000, -0.0006124200000000, -0.0009932500000000 ] - [ -0.0004596500000000, -0.0005026400000000, -0.0005806900000000 ] - [ -0.0013550800000000, 0.0002680200000000, -0.0005097800000000 ] - [ 0.0028123200000000, 0.0006977400000000, -0.0006652000000000 ] - [ -0.0003575700000000, 0.0000470600000000, 0.0001159900000000 ] - [ -0.0002894100000000, 0.0001753400000000, -0.0002178100000000 ] - [ 0.0004198700000000, 0.0001936200000000, -0.0001577600000000 ] - [ 0.0013566500000000, -0.0005122600000000, 0.0016814600000000 ] - [ -0.0003868400000000, 0.0000668000000000, 0.0001545900000000 ] - [ -0.0005722900000000, 0.0000311500000000, 0.0001018700000000 ] - [ -0.0009979100000000, -0.0012706200000000, -0.0000539100000000 ] - [ 0.0005141500000000, -0.0002255500000000, 0.0005911400000000 ] - [ -0.0003985400000000, -0.0005049100000000, 0.0000313700000000 ] - [ -0.0001660100000000, -0.0006781800000000, -0.0006940200000000 ] - [ 0.0002440600000000, 0.0002696600000000, 0.0002701500000000 ] - [ 0.0002223500000000, 0.0013815400000000, 0.0008818200000000 ] - [ -0.0082937500000000, 0.0119291800000000, 0.0054037200000000 ] - [ 0.0005088900000000, -0.0004562300000000, 0.0014847300000000 ] - [ 0.0003231400000000, -0.0008208900000000, -0.0018785200000000 ] - [ -0.0004506000000000, -0.0008101400000000, -0.0000718300000000 ] - [ 0.0001325600000000, 0.0015451000000000, 0.0012813300000000 ] - [ 0.0001301500000000, 0.0008678000000000, 0.0007107100000000 ] - [ 0.0003034600000000, 0.0029325200000000, -0.0006550500000000 ] - [ -0.0005705900000000, 0.0006254400000000, 0.0000198400000000 ] - [ -0.0035751000000000, -0.0016150900000000, -0.0013566900000000 ] - [ 0.0050657600000000, 0.0031640300000000, -0.0039087300000000 ] - [ 0.0023115500000000, 0.0016706100000000, -0.0059425900000000 ] - [ 0.0008761600000000, -0.0004370100000000, -0.0004136700000000 ] - [ -0.0001401000000000, 0.0005718900000000, -0.0002384600000000 ] - [ -0.0006623600000000, 0.0010255000000000, -0.0005122000000000 ] - [ 0.0008007700000000, 0.0011096400000000, 0.0001777100000000 ] - [ 0.0006189700000000, 0.0011325900000000, 0.0000802400000000 ] - [ -0.0011172500000000, 0.0017311800000000, -0.0004860600000000 ] - [ 0.0005031100000000, 0.0005774800000000, -0.0000434800000000 ] - [ 0.0004865300000000, -0.0008097700000000, 0.0095278000000000 ] - [ -0.0020012400000000, -0.0006891300000000, 0.0006507400000000 ] - [ 0.0003268700000000, 0.0005558100000000, -0.0006096200000000 ] - [ 0.0001295000000000, 0.0005629800000000, -0.0003519600000000 ] - [ 0.0000092200000000, -0.0009557500000000, 0.0002916600000000 ] - [ -0.0029079600000000, 0.0007327800000000, -0.0011084200000000 ] - [ 0.0050558600000000, -0.0852573700000000, -0.0131553500000000 ] - [ -0.0000556500000000, -0.0009321500000000, -0.0002699300000000 ] - [ -0.0002101500000000, 0.0001614100000000, 0.0000457900000000 ] - [ 0.0004998900000000, 0.0002152600000000, -0.0000568200000000 ] - [ -0.0000343400000000, 0.0005261500000000, 0.0002619500000000 ] - [ 0.0002794300000000, 0.0003366500000000, -0.0005223500000000 ] - [ 0.0002886500000000, 0.0006512700000000, 0.0005133200000000 ] - [ 0.0004824300000000, 0.0011735000000000, 0.0006627000000000 ] - [ -0.0004970100000000, 0.0000522400000000, 0.0003413000000000 ] - [ -0.0001754600000000, 0.0004576100000000, 0.0002968300000000 ] - [ 0.0010058800000000, 0.0003729800000000, -0.0004262900000000 ] - [ -0.0002172000000000, 0.0008255300000000, -0.0009193900000000 ] - [ -0.0005699000000000, 0.0004062400000000, 0.0002514100000000 ] - [ -0.0003346900000000, -0.0001871000000000, 0.0002884300000000 ] - [ 0.0003162000000000, -0.0004321500000000, -0.0005299200000000 ] - [ -0.0003030900000000, -0.0015377400000000, 0.0023404700000000 ] - [ -0.0000675400000000, 0.0031495700000000, 0.0001225700000000 ] - [ -0.0000824800000000, 0.0012369900000000, 0.0002431400000000 ] - [ 0.0025086000000000, -0.0012968300000000, 0.0004038700000000 ] - [ -0.0058605800000000, 0.0012558400000000, 0.0066443000000000 ] - [ -0.0003571800000000, 0.0009395500000000, 0.0001863800000000 ] - [ -0.0002841800000000, 0.0007484900000000, -0.0000228600000000 ] - [ 0.0004085400000000, -0.0008744600000000, 0.0006130200000000 ] - [ 0.0033991700000000, 0.0001770000000000, -0.0054086300000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0067535900000000, 0.0056141600000000, -0.0059077300000000 ] - [ 0.0014350900000000, 0.0039951900000000, -0.0007619000000000 ] - [ -0.0186202500000000, -0.0356801400000000, 0.0319076500000000 ] - [ -0.0007021400000000, -0.0045597300000000, -0.0008975600000000 ] - [ -0.0001870000000000, 0.0024290900000000, -0.0002303900000000 ] - [ -0.0005217100000000, 0.0025106700000000, -0.0003287500000000 ] - [ 0.0009855400000000, 0.0016628700000000, -0.0001083000000000 ] - [ -0.0009718700000000, 0.0004329500000000, 0.0004002500000000 ] - [ 0.0012527400000000, 0.0057474900000000, 0.0007443700000000 ] - [ 0.0007594500000000, 0.0030056600000000, -0.0003586100000000 ] - [ -0.0011302500000000, 0.0047660700000000, 0.0018650700000000 ] - [ -0.0000319900000000, 0.0006325200000000, -0.0002393800000000 ] - [ 0.0020412900000000, -0.0005633500000000, -0.0023151500000000 ] - [ 0.0008087200000000, -0.0000938500000000, -0.0011909900000000 ] - [ 0.0189922200000000, -0.0424194300000000, -0.0359515900000000 ] - [ -0.0004297800000000, -0.0031316700000000, 0.0009001100000000 ] - [ -0.0007720700000000, 0.0000231100000000, 0.0003074600000000 ] - [ -0.0001131100000000, -0.0000848700000000, -0.0000997000000000 ] - [ 0.0029928900000000, -0.0003195000000000, 0.0004587400000000 ] - [ -0.0011656700000000, -0.0007483000000000, 0.0006174500000000 ] - [ -0.0002129300000000, 0.0005392300000000, -0.0007920900000000 ] - [ -0.0002805500000000, 0.0004115000000000, -0.0004623100000000 ] - [ 0.0012280200000000, -0.0001454100000000, 0.0001103700000000 ] - [ 0.0002925000000000, 0.0005570200000000, -0.0017286300000000 ] - [ -0.0004809200000000, 0.0006413500000000, -0.0000184100000000 ] - [ -0.0002974000000000, 0.0006767000000000, 0.0000335200000000 ] - [ 0.0013148900000000, 0.0014510800000000, 0.0008343000000000 ] - [ -0.0002016800000000, 0.0003982700000000, 0.0001865900000000 ] - [ -0.0004701600000000, -0.0002038300000000, 0.0001042500000000 ] - [ -0.0006984000000000, -0.0000311700000000, 0.0008137500000000 ] - [ 0.0000675900000000, -0.0004427100000000, 0.0005085200000000 ] - [ 0.0000977600000000, -0.0015611000000000, -0.0000990100000000 ] - [ 0.0083494100000000, -0.0117673900000000, -0.0044099800000000 ] - [ -0.0003265700000000, 0.0002739700000000, -0.0005944400000000 ] - [ -0.0010873600000000, 0.0011765100000000, 0.0012393900000000 ] - [ -0.0003019900000000, 0.0011758400000000, -0.0005982700000000 ] - [ 0.0000504500000000, -0.0013611600000000, -0.0003924600000000 ] - [ 0.0000526600000000, -0.0006871300000000, 0.0001750900000000 ] - [ -0.0010579100000000, -0.0033144100000000, -0.0000002500000000 ] - [ -0.0001808200000000, -0.0009910500000000, -0.0006840800000000 ] - [ 0.0031730500000000, 0.0011804500000000, 0.0004706900000000 ] - [ -0.0053445600000000, -0.0035604400000000, 0.0030184200000000 ] - [ -0.0017655300000000, -0.0019102900000000, 0.0061348700000000 ] - [ -0.0003411000000000, 0.0001402900000000, 0.0007294100000000 ] - [ -0.0002339100000000, -0.0001501300000000, -0.0006360500000000 ] - [ 0.0002891100000000, -0.0006047100000000, -0.0003631000000000 ] - [ -0.0002680800000000, -0.0008109600000000, 0.0001418200000000 ] - [ -0.0000852800000000, -0.0008341200000000, 0.0002390900000000 ] - [ 0.0013775600000000, -0.0017654900000000, 0.0000665400000000 ] - [ -0.0002232800000000, -0.0006272600000000, -0.0003724200000000 ] - [ -0.0019072100000000, 0.0014329000000000, -0.0085615500000000 ] - [ 0.0006230100000000, 0.0013090600000000, 0.0003680400000000 ] - [ -0.0000484600000000, -0.0005058100000000, 0.0001912000000000 ] - [ 0.0001476700000000, -0.0005151400000000, -0.0000622400000000 ] - [ -0.0013942800000000, 0.0003435200000000, 0.0007319900000000 ] - [ 0.0015336000000000, -0.0013490200000000, 0.0021339900000000 ] - [ -0.0045969800000000, 0.0856103900000000, 0.0122973700000000 ] - [ 0.0001839800000000, 0.0008071700000000, -0.0000201900000000 ] - [ 0.0010431600000000, -0.0005626500000000, 0.0012000700000000 ] - [ 0.0003398700000000, -0.0006179900000000, 0.0013113300000000 ] - [ 0.0001642100000000, -0.0004023500000000, -0.0005540400000000 ] - [ -0.0001462300000000, -0.0002118800000000, 0.0002285300000000 ] - [ 0.0005510300000000, -0.0002482700000000, 0.0007440200000000 ] - [ 0.0003599100000000, -0.0007686900000000, 0.0005969900000000 ] - [ -0.0006836600000000, -0.0010089600000000, 0.0006775100000000 ] - [ -0.0010013300000000, -0.0014115200000000, 0.0007213900000000 ] - [ -0.0003404200000000, -0.0007169400000000, -0.0006673000000000 ] - [ 0.0008843600000000, -0.0011663500000000, -0.0001705200000000 ] - [ -0.0006096800000000, 0.0005503700000000, 0.0007658400000000 ] - [ -0.0008438500000000, 0.0011280100000000, 0.0007362800000000 ] - [ 0.0003568300000000, 0.0007733100000000, -0.0005601500000000 ] - [ 0.0009572900000000, 0.0018522400000000, -0.0034308900000000 ] - [ -0.0003244900000000, -0.0026244900000000, 0.0000053000000000 ] - [ -0.0003127600000000, -0.0007287800000000, -0.0001033700000000 ] - [ -0.0011851700000000, 0.0008547000000000, -0.0001456500000000 ] - [ 0.0072564400000000, -0.0017316200000000, -0.0064139600000000 ] - [ -0.0000360500000000, -0.0014485300000000, -0.0000444200000000 ] - [ -0.0001091400000000, -0.0012596800000000, 0.0001646600000000 ] - [ 0.0009146100000000, 0.0013236600000000, -0.0003529600000000 ] - [ -0.0020793400000000, 0.0002209700000000, 0.0057465600000000 ]- atom: 57 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ -0.0051390800000000, 0.0030684300000000, 0.0171072500000000 ] - [ 0.0053699600000000, 0.0100072900000000, -0.0043891400000000 ] - [ -0.0377673800000000, -0.0135006800000000, 0.0776413800000000 ] - [ 0.0035799100000000, 0.0037297800000000, 0.0019952000000000 ] - [ -0.0004076500000000, -0.0008706100000000, -0.0027915700000000 ] - [ -0.0026929800000000, 0.0001934800000000, -0.0003748700000000 ] - [ 0.0090958100000000, 0.0125259900000000, -0.0032273300000000 ] - [ -0.0019054400000000, -0.0007716800000000, -0.0012639200000000 ] - [ 0.0001659900000000, 0.0016525200000000, 0.0017034400000000 ] - [ 0.0019757500000000, 0.0000839600000000, 0.0007480000000000 ] - [ 0.0007735400000000, -0.0155144300000000, -0.0091504500000000 ] - [ -0.0014113900000000, -0.0018396900000000, -0.0015305400000000 ] - [ 0.0104987600000000, 0.0016125000000000, -0.0102160300000000 ] - [ -0.0038639700000000, -0.0051031200000000, -0.0066477500000000 ] - [ -0.0714442400000000, 0.0346309300000000, 0.1000932200000000 ] - [ 0.0004971400000000, -0.0014214100000000, 0.0038526900000000 ] - [ 0.0003891300000000, -0.0007213400000000, -0.0009593400000000 ] - [ -0.0007738700000000, -0.0004514200000000, 0.0004412200000000 ] - [ -0.0078865500000000, -0.0016207000000000, 0.0012829400000000 ] - [ 0.0066931400000000, 0.0017648800000000, -0.0024457400000000 ] - [ -0.0004551900000000, 0.0003099800000000, 0.0000192600000000 ] - [ -0.0000840500000000, 0.0003130200000000, -0.0008142100000000 ] - [ 0.0029290600000000, -0.0004307900000000, -0.0007154600000000 ] - [ -0.0033353400000000, 0.0014609900000000, 0.0012298800000000 ] - [ -0.0002955000000000, 0.0002345000000000, 0.0000988000000000 ] - [ -0.0005700300000000, 0.0003487400000000, 0.0000187900000000 ] - [ -0.0003876300000000, -0.0002217800000000, 0.0015935600000000 ] - [ 0.0010187600000000, -0.0009795600000000, 0.0016268000000000 ] - [ -0.0005002200000000, -0.0004022600000000, 0.0004063500000000 ] - [ -0.0010807600000000, -0.0008698600000000, 0.0013895500000000 ] - [ 0.0013127500000000, 0.0002357500000000, -0.0014611800000000 ] - [ -0.0008913100000000, 0.0028141800000000, -0.0015528900000000 ] - [ -0.0015969100000000, 0.0109114500000000, -0.0107545000000000 ] - [ -0.0020756100000000, 0.0000140600000000, -0.0017889200000000 ] - [ -0.0055529500000000, -0.0068223700000000, 0.0100953300000000 ] - [ 0.0002494500000000, -0.0005866800000000, 0.0020849000000000 ] - [ -0.0003227300000000, 0.0033362700000000, 0.0034251600000000 ] - [ 0.0005835300000000, 0.0008943500000000, 0.0011484000000000 ] - [ -0.0003277700000000, -0.0038123800000000, -0.0026953200000000 ] - [ -0.0002974000000000, -0.0003658300000000, -0.0007695300000000 ] - [ -0.0022319600000000, 0.0000208700000000, -0.0039672100000000 ] - [ -0.0100299400000000, -0.0127274100000000, 0.0024166400000000 ] - [ 0.0054528700000000, -0.0117460000000000, 0.0000846400000000 ] - [ -0.0025914100000000, 0.0001892100000000, 0.0015324000000000 ] - [ 0.0000970300000000, 0.0005696900000000, 0.0003397600000000 ] - [ 0.0008132000000000, -0.0022872900000000, 0.0005310300000000 ] - [ -0.0007445400000000, -0.0008936700000000, 0.0011680900000000 ] - [ 0.0011481400000000, 0.0005926700000000, 0.0000700300000000 ] - [ -0.0010654800000000, 0.0013264400000000, -0.0005314500000000 ] - [ 0.0004641100000000, -0.0011539800000000, -0.0009365300000000 ] - [ -0.0000099300000000, 0.0021285700000000, 0.0173677100000000 ] - [ -0.0045081800000000, -0.0008238800000000, 0.0022188200000000 ] - [ 0.0001450200000000, 0.0006437900000000, -0.0002068400000000 ] - [ 0.0001366900000000, 0.0004420800000000, 0.0001163700000000 ] - [ -0.0040973400000000, -0.0034336600000000, 0.0014964700000000 ] - [ 0.0019380200000000, -0.0011357300000000, -0.0004570000000000 ] - [ 0.1315268300000000, -0.0163890600000000, -0.2402344500000000 ] - [ -0.0006682300000000, -0.0001068100000000, -0.0010817700000000 ] - [ 0.0032217800000000, -0.0008185600000000, 0.0025203800000000 ] - [ 0.0005372000000000, -0.0011190900000000, 0.0043732800000000 ] - [ -0.0045111000000000, -0.0003404900000000, 0.0070850500000000 ] - [ 0.0012293000000000, 0.0004929300000000, 0.0006356100000000 ] - [ -0.0003504800000000, 0.0003175500000000, -0.0001080900000000 ] - [ 0.0005263000000000, 0.0003161300000000, 0.0000954100000000 ] - [ -0.0009912100000000, -0.0003257400000000, 0.0004525000000000 ] - [ 0.0005418800000000, -0.0000377700000000, -0.0005522400000000 ] - [ 0.0009234400000000, 0.0004988300000000, -0.0011104600000000 ] - [ -0.0012284400000000, 0.0030390300000000, -0.0014082300000000 ] - [ 0.0004787700000000, 0.0006259400000000, 0.0005677200000000 ] - [ -0.0079799800000000, 0.0098929100000000, 0.0091445000000000 ] - [ -0.0034134900000000, 0.0006030300000000, -0.0001197700000000 ] - [ 0.0129803500000000, 0.0045407000000000, 0.0099727700000000 ] - [ 0.0007627700000000, -0.0003253200000000, -0.0022030300000000 ] - [ -0.0005957900000000, -0.0001198000000000, 0.0005369400000000 ] - [ 0.0032418300000000, -0.0004531000000000, -0.0015824900000000 ] - [ -0.0106264800000000, 0.0082182600000000, 0.0135669100000000 ] - [ -0.0017965000000000, 0.0005869600000000, 0.0012918600000000 ] - [ 0.0001225000000000, 0.0004229300000000, -0.0006280000000000 ] - [ 0.0000209200000000, 0.0004279100000000, 0.0019550900000000 ] - [ -0.0029351800000000, -0.0154955500000000, 0.0111341600000000 ]- atom: 57 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ 0.0039769500000000, -0.0033336400000000, -0.0181523400000000 ] - [ -0.0065377900000000, -0.0103673900000000, 0.0034586500000000 ] - [ 0.0421182900000000, 0.0175223600000000, -0.0833917100000000 ] - [ -0.0032844700000000, -0.0023027600000000, -0.0007855100000000 ] - [ -0.0007286800000000, 0.0012472400000000, 0.0018537600000000 ] - [ 0.0015364500000000, 0.0001740100000000, -0.0005654200000000 ] - [ -0.0087487900000000, -0.0139458200000000, 0.0045346400000000 ] - [ 0.0022750400000000, -0.0006968400000000, 0.0025366100000000 ] - [ 0.0015167400000000, -0.0001680400000000, -0.0028895700000000 ] - [ -0.0003141200000000, 0.0014093000000000, -0.0019373700000000 ] - [ -0.0020369500000000, 0.0152107100000000, 0.0083258600000000 ] - [ 0.0001304000000000, 0.0013956500000000, 0.0006538100000000 ] - [ -0.0088404800000000, -0.0031117200000000, 0.0090601300000000 ] - [ 0.0055211000000000, 0.0035890100000000, 0.0054303300000000 ] - [ 0.0662615600000000, -0.0308087000000000, -0.0943500100000000 ] - [ -0.0017709000000000, 0.0018554500000000, -0.0047064900000000 ] - [ -0.0009651500000000, 0.0001380200000000, 0.0002853700000000 ] - [ 0.0002061900000000, -0.0001345600000000, -0.0011226100000000 ] - [ 0.0095737200000000, 0.0015698900000000, -0.0013983800000000 ] - [ -0.0050992800000000, -0.0018352500000000, 0.0024191300000000 ] - [ -0.0001134900000000, 0.0002786500000000, -0.0007026000000000 ] - [ -0.0004865200000000, 0.0002742400000000, 0.0001323000000000 ] - [ -0.0012729000000000, 0.0004709400000000, 0.0006675600000000 ] - [ 0.0049876400000000, -0.0014271100000000, -0.0012390400000000 ] - [ -0.0005736100000000, 0.0004761600000000, 0.0000354800000000 ] - [ -0.0002979700000000, 0.0003617400000000, 0.0001158200000000 ] - [ 0.0006857800000000, 0.0003727200000000, -0.0008249100000000 ] - [ -0.0007145500000000, 0.0011621000000000, -0.0008613800000000 ] - [ -0.0003677900000000, -0.0003070000000000, -0.0002695100000000 ] - [ 0.0002144500000000, 0.0001721900000000, -0.0012695000000000 ] - [ -0.0009944300000000, -0.0004138100000000, 0.0022481200000000 ] - [ 0.0012216900000000, -0.0029770500000000, 0.0023314200000000 ] - [ 0.0018327100000000, -0.0111560400000000, 0.0115589600000000 ] - [ 0.0022760200000000, -0.0001939000000000, 0.0026858400000000 ] - [ 0.0048093100000000, 0.0072096500000000, -0.0107721900000000 ] - [ -0.0009983000000000, 0.0009532400000000, -0.0027313600000000 ] - [ 0.0005068000000000, -0.0031873500000000, -0.0025608300000000 ] - [ -0.0003965500000000, -0.0007114100000000, -0.0002560100000000 ] - [ -0.0004118600000000, 0.0034658100000000, 0.0020139300000000 ] - [ -0.0004588900000000, 0.0000043500000000, 0.0001105700000000 ] - [ 0.0019105200000000, -0.0004558500000000, 0.0031147600000000 ] - [ 0.0097784700000000, 0.0124406200000000, -0.0032403800000000 ] - [ -0.0050304000000000, 0.0115501200000000, 0.0002888200000000 ] - [ 0.0031322100000000, -0.0004875700000000, -0.0012109100000000 ] - [ -0.0004760100000000, -0.0001516600000000, -0.0012216000000000 ] - [ -0.0011635400000000, 0.0026693600000000, -0.0014055400000000 ] - [ 0.0012785700000000, 0.0011832600000000, -0.0008586700000000 ] - [ -0.0006108400000000, -0.0002870900000000, 0.0002443100000000 ] - [ 0.0013495500000000, -0.0013923600000000, 0.0001237900000000 ] - [ -0.0001886100000000, 0.0011157100000000, 0.0005256900000000 ] - [ -0.0015313100000000, -0.0016351100000000, -0.0167832600000000 ] - [ 0.0031748500000000, 0.0014523100000000, -0.0012081600000000 ] - [ 0.0001303000000000, -0.0005974000000000, -0.0002087600000000 ] - [ 0.0001396200000000, -0.0003987600000000, -0.0005314700000000 ] - [ 0.0027032700000000, 0.0028338900000000, -0.0004712100000000 ] - [ -0.0033566900000000, 0.0005429600000000, 0.0014484400000000 ] - [ -0.1318623600000000, 0.0104529700000000, 0.2406039900000000 ] - [ 0.0008105400000000, -0.0000129100000000, 0.0007858100000000 ] - [ -0.0023777900000000, 0.0004150200000000, -0.0012501600000000 ] - [ 0.0002998400000000, 0.0007199500000000, -0.0031206100000000 ] - [ 0.0046417800000000, 0.0004637500000000, -0.0073849000000000 ] - [ -0.0010981700000000, -0.0003700300000000, -0.0009415900000000 ] - [ 0.0011927800000000, 0.0000820400000000, 0.0013656200000000 ] - [ 0.0003108500000000, 0.0000828700000000, 0.0011547800000000 ] - [ -0.0001846800000000, -0.0006335300000000, 0.0005666900000000 ] - [ -0.0017291200000000, -0.0009262400000000, 0.0015816800000000 ] - [ -0.0002500300000000, -0.0008373100000000, 0.0000283600000000 ] - [ 0.0019212300000000, -0.0034165300000000, 0.0003345400000000 ] - [ -0.0016529000000000, 0.0003359600000000, 0.0004524300000000 ] - [ 0.0067829900000000, -0.0089123200000000, -0.0080711400000000 ] - [ 0.0040864400000000, -0.0002539000000000, -0.0009758600000000 ] - [ -0.0121806200000000, -0.0041339100000000, -0.0109780000000000 ] - [ -0.0011580700000000, 0.0008396900000000, 0.0023459600000000 ] - [ 0.0002034100000000, 0.0006243200000000, -0.0003975700000000 ] - [ -0.0018992500000000, 0.0000218100000000, 0.0018743400000000 ] - [ 0.0123084400000000, -0.0089097300000000, -0.0135752100000000 ] - [ 0.0014068400000000, -0.0011113800000000, -0.0011601800000000 ] - [ -0.0005171000000000, -0.0009317800000000, 0.0007652100000000 ] - [ 0.0012878500000000, 0.0000171500000000, -0.0017020800000000 ] - [ 0.0041798000000000, 0.0157765800000000, -0.0105794600000000 ]- atom: 59 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ 0.0342034400000000, -0.0084830400000000, 0.0308180600000000 ] - [ -0.0060555800000000, -0.0002870500000000, 0.0014069000000000 ] - [ -0.0051313900000000, 0.0089375900000000, -0.0025338700000000 ] - [ 0.0025558300000000, -0.0022871800000000, 0.0077932100000000 ] - [ -0.0006051100000000, -0.0012958600000000, 0.0012743300000000 ] - [ -0.0041768600000000, 0.0070996100000000, -0.0035096700000000 ] - [ -0.0000859900000000, -0.0014784000000000, -0.0008746800000000 ] - [ 0.0014367400000000, -0.0007211400000000, 0.0012724200000000 ] - [ 0.0020472100000000, -0.0093306400000000, -0.0086384500000000 ] - [ 0.0010751200000000, 0.0022085700000000, 0.0004394300000000 ] - [ -0.0016187600000000, -0.0012808100000000, 0.0002531200000000 ] - [ 0.0001181400000000, 0.0004333200000000, 0.0003898600000000 ] - [ -0.0024041900000000, -0.0015929800000000, 0.0024591100000000 ] - [ 0.0433311800000000, 0.0157639500000000, 0.0446336700000000 ] - [ -0.0052712300000000, 0.0002770700000000, -0.0055872300000000 ] - [ 0.0004972400000000, -0.0012170300000000, -0.0016073400000000 ] - [ -0.0005520300000000, 0.0007015700000000, -0.0017165700000000 ] - [ -0.0001035400000000, -0.0005176800000000, -0.0019627800000000 ] - [ 0.0018163200000000, 0.0000342100000000, -0.0001688000000000 ] - [ 0.0000469700000000, -0.0000725600000000, 0.0001669700000000 ] - [ -0.0015582500000000, -0.0014175400000000, 0.0016483600000000 ] - [ -0.0012050600000000, 0.0005838500000000, -0.0000121300000000 ] - [ 0.0010440400000000, 0.0000417500000000, -0.0000387800000000 ] - [ 0.0005505100000000, -0.0002005800000000, -0.0001318100000000 ] - [ -0.0000121600000000, 0.0010451900000000, 0.0009554400000000 ] - [ -0.0020456600000000, -0.0004747500000000, 0.0004183800000000 ] - [ 0.0002827200000000, 0.0000072000000000, 0.0005366900000000 ] - [ 0.0000729900000000, 0.0000373200000000, 0.0002887600000000 ] - [ -0.0002192100000000, 0.0003103400000000, 0.0001003600000000 ] - [ -0.0013689700000000, -0.0001654400000000, -0.0007101100000000 ] - [ 0.0002772400000000, -0.0000958500000000, 0.0007627400000000 ] - [ 0.0003473900000000, -0.0006338500000000, 0.0006391400000000 ] - [ 0.0022482200000000, -0.0035987900000000, 0.0060653700000000 ] - [ 0.0003601700000000, 0.0003344800000000, 0.0001156200000000 ] - [ 0.0013527400000000, 0.0001808100000000, -0.0019706200000000 ] - [ -0.0014447700000000, 0.0047322400000000, -0.0045735700000000 ] - [ 0.0005594800000000, 0.0007046000000000, 0.0005592100000000 ] - [ -0.0002899800000000, -0.0020145400000000, -0.0004785200000000 ] - [ -0.0000253800000000, 0.0022347100000000, 0.0017642400000000 ] - [ -0.0006695400000000, -0.0005144200000000, -0.0005594300000000 ] - [ -0.0043217300000000, -0.0026207300000000, -0.0023084900000000 ] - [ 0.0028632600000000, 0.0006794200000000, 0.0006434300000000 ] - [ 0.0101796400000000, -0.0120136800000000, 0.0049696500000000 ] - [ 0.0052359600000000, 0.0028454800000000, -0.0021021800000000 ] - [ -0.0010298700000000, 0.0010545200000000, -0.0009299200000000 ] - [ 0.0005117100000000, -0.0004094300000000, 0.0002615400000000 ] - [ 0.0000152600000000, 0.0003929900000000, 0.0005985000000000 ] - [ -0.0002428700000000, -0.0011957800000000, 0.0005877300000000 ] - [ -0.0016025900000000, -0.0022370100000000, 0.0019558400000000 ] - [ 0.0009126700000000, 0.0000911100000000, 0.0006785000000000 ] - [ -0.0012265300000000, -0.0008613800000000, 0.0004280000000000 ] - [ 0.0000294800000000, 0.0011354400000000, 0.0002619200000000 ] - [ 0.0024983800000000, 0.0019136000000000, -0.0039717600000000 ] - [ 0.0014579100000000, -0.0019032500000000, 0.0011302000000000 ] - [ -0.0008292700000000, 0.0000685000000000, 0.0005115400000000 ] - [ -0.0006178900000000, -0.0002533400000000, 0.0006451600000000 ] - [ -0.0004723800000000, -0.0006953200000000, 0.0028089800000000 ] - [ -0.0006619000000000, 0.0000141700000000, -0.0004129600000000 ] - [ -0.0917327900000000, -0.0064023700000000, -0.1008334700000000 ] - [ 0.0019352100000000, -0.0001065600000000, 0.0010950000000000 ] - [ 0.0006503300000000, 0.0001936000000000, -0.0007041100000000 ] - [ -0.0002528300000000, 0.0000009700000000, -0.0002107900000000 ] - [ -0.0004363900000000, 0.0003126900000000, -0.0002632300000000 ] - [ 0.0030478100000000, -0.0000780200000000, 0.0049357900000000 ] - [ -0.0008923600000000, -0.0005787300000000, 0.0000747700000000 ] - [ 0.0006143700000000, 0.0023528800000000, 0.0004770500000000 ] - [ -0.0005122900000000, 0.0002664200000000, -0.0013349900000000 ] - [ 0.0008667500000000, -0.0001055800000000, -0.0003384000000000 ] - [ -0.0090886200000000, -0.0006859700000000, -0.0017463500000000 ] - [ 0.0023585400000000, 0.0006879100000000, 0.0004846300000000 ] - [ -0.0002539400000000, 0.0002810500000000, -0.0008715100000000 ] - [ 0.0050842500000000, 0.0060750700000000, 0.0057478900000000 ] - [ 0.0108368300000000, 0.0116894800000000, 0.0160283400000000 ] - [ 0.0023020800000000, -0.0013799900000000, -0.0021516900000000 ] - [ -0.0001491400000000, 0.0002580100000000, -0.0005673100000000 ] - [ 0.0013359700000000, -0.0003737200000000, 0.0003391300000000 ] - [ 0.0004350900000000, -0.0003542900000000, 0.0003795700000000 ] - [ -0.0002652100000000, -0.0078235600000000, 0.0035592200000000 ] - [ 0.0003991400000000, 0.0006008800000000, -0.0001709500000000 ] - [ 0.0016379200000000, 0.0011762500000000, 0.0006287300000000 ]- atom: 59 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ -0.0346278200000000, 0.0075230200000000, -0.0298458100000000 ] - [ 0.0049006900000000, -0.0000887800000000, -0.0023781500000000 ] - [ 0.0054474300000000, -0.0074353400000000, 0.0037629400000000 ] - [ -0.0022816300000000, 0.0037220100000000, -0.0065290000000000 ] - [ -0.0005240400000000, 0.0016569300000000, -0.0022334400000000 ] - [ 0.0030104500000000, -0.0067638000000000, 0.0025550600000000 ] - [ 0.0004320100000000, 0.0000220400000000, 0.0021224800000000 ] - [ -0.0010908800000000, -0.0007361300000000, -0.0000285500000000 ] - [ -0.0003604500000000, 0.0107819600000000, 0.0074454000000000 ] - [ 0.0005852200000000, -0.0007290300000000, -0.0016192400000000 ] - [ 0.0003428700000000, 0.0008525500000000, -0.0011074800000000 ] - [ -0.0013884100000000, -0.0008695600000000, -0.0012511900000000 ] - [ 0.0040658900000000, 0.0000937900000000, -0.0036119700000000 ] - [ -0.0420803600000000, -0.0177488400000000, -0.0472909600000000 ] - [ 0.0040091300000000, 0.0001401400000000, 0.0047189500000000 ] - [ -0.0017608200000000, 0.0016320300000000, 0.0007301700000000 ] - [ -0.0000409300000000, -0.0012765900000000, 0.0010387900000000 ] - [ -0.0004687600000000, -0.0000669300000000, 0.0012859100000000 ] - [ -0.0001569200000000, -0.0000830400000000, 0.0001178600000000 ] - [ 0.0015960500000000, 0.0000266800000000, -0.0002139800000000 ] - [ 0.0010069400000000, 0.0020019900000000, -0.0023270400000000 ] - [ 0.0006395300000000, -0.0000026700000000, -0.0006731200000000 ] - [ 0.0006052100000000, 0.0000063700000000, -0.0000096600000000 ] - [ 0.0010963300000000, 0.0002492300000000, 0.0000824400000000 ] - [ -0.0008664600000000, -0.0003247500000000, -0.0008160200000000 ] - [ 0.0011721100000000, 0.0011774300000000, -0.0002832900000000 ] - [ 0.0000306200000000, 0.0001647200000000, 0.0002428000000000 ] - [ 0.0002378800000000, 0.0001351700000000, 0.0004889400000000 ] - [ -0.0006429400000000, -0.0010082200000000, 0.0000300800000000 ] - [ 0.0005051100000000, -0.0005436100000000, 0.0008456300000000 ] - [ 0.0000358400000000, -0.0000775600000000, 0.0000189200000000 ] - [ -0.0000403300000000, 0.0004621600000000, 0.0001405700000000 ] - [ -0.0020773900000000, 0.0034347900000000, -0.0052012900000000 ] - [ -0.0001724600000000, -0.0005164300000000, 0.0007872900000000 ] - [ -0.0020878700000000, 0.0001871000000000, 0.0012823900000000 ] - [ 0.0007342500000000, -0.0043218800000000, 0.0039183300000000 ] - [ -0.0003779200000000, -0.0005263000000000, 0.0003262400000000 ] - [ 0.0004806700000000, 0.0021904800000000, 0.0013728000000000 ] - [ -0.0007243900000000, -0.0025927100000000, -0.0024238100000000 ] - [ -0.0000807300000000, 0.0001506600000000, -0.0001032500000000 ] - [ 0.0038906800000000, 0.0021985900000000, 0.0013820700000000 ] - [ -0.0032163300000000, -0.0010936000000000, -0.0015007000000000 ] - [ -0.0094389900000000, 0.0114977700000000, -0.0046062200000000 ] - [ -0.0047719400000000, -0.0032208800000000, 0.0024474200000000 ] - [ 0.0006528500000000, -0.0006317500000000, 0.0000545500000000 ] - [ -0.0008840800000000, 0.0008336200000000, -0.0011342000000000 ] - [ 0.0005158100000000, -0.0000946200000000, -0.0002777100000000 ] - [ 0.0007798800000000, 0.0014973400000000, -0.0002668800000000 ] - [ 0.0018401400000000, 0.0022134700000000, -0.0023512900000000 ] - [ -0.0006353100000000, -0.0001403000000000, -0.0010947800000000 ] - [ -0.0001621300000000, 0.0014629700000000, 0.0005870800000000 ] - [ -0.0013969600000000, -0.0005158000000000, 0.0007537900000000 ] - [ -0.0022156400000000, -0.0018465600000000, 0.0035406600000000 ] - [ -0.0011974800000000, 0.0019665000000000, -0.0015734300000000 ] - [ -0.0005536800000000, -0.0006857900000000, 0.0005079200000000 ] - [ -0.0007619100000000, -0.0003631400000000, 0.0003762700000000 ] - [ 0.0005924500000000, 0.0005627100000000, -0.0030789300000000 ] - [ 0.0007943800000000, -0.0001401900000000, 0.0001296400000000 ] - [ 0.0919650300000000, 0.0070297000000000, 0.1013660800000000 ] - [ -0.0010933400000000, -0.0002932400000000, 0.0001596300000000 ] - [ -0.0005164400000000, -0.0000697700000000, 0.0004078300000000 ] - [ 0.0003833800000000, 0.0001237700000000, -0.0000815500000000 ] - [ 0.0012759000000000, 0.0000889200000000, 0.0015193800000000 ] - [ -0.0022035800000000, 0.0004803400000000, -0.0036718800000000 ] - [ -0.0002831100000000, -0.0003786800000000, 0.0009423000000000 ] - [ -0.0017865300000000, -0.0032923500000000, 0.0005410900000000 ] - [ 0.0011779000000000, -0.0006061900000000, 0.0002427400000000 ] - [ -0.0001951500000000, -0.0002357900000000, -0.0007504000000000 ] - [ 0.0079652200000000, 0.0016791100000000, 0.0028322800000000 ] - [ -0.0035317700000000, 0.0002691400000000, 0.0005326600000000 ] - [ 0.0009180900000000, 0.0000611800000000, -0.0002215400000000 ] - [ -0.0044211900000000, -0.0057514100000000, -0.0068577900000000 ] - [ -0.0109586400000000, -0.0109217400000000, -0.0156558000000000 ] - [ -0.0027178300000000, 0.0019085500000000, 0.0023153200000000 ] - [ 0.0014661500000000, -0.0006928700000000, 0.0008276000000000 ] - [ -0.0000115300000000, -0.0000735300000000, -0.0000798800000000 ] - [ -0.0008297300000000, -0.0001528300000000, -0.0002415000000000 ] - [ -0.0001218100000000, 0.0073050400000000, -0.0034493900000000 ] - [ 0.0009201800000000, -0.0001504800000000, 0.0004277900000000 ] - [ -0.0003156800000000, -0.0007263000000000, -0.0003669800000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0196995400000000, 0.0342530800000000, -0.0286542000000000 ] - [ -0.0015757000000000, 0.0050160400000000, 0.0006647400000000 ] - [ 0.0023175000000000, -0.0033243500000000, 0.0008933800000000 ] - [ -0.0057682900000000, -0.0055411800000000, 0.0044080500000000 ] - [ -0.0015525400000000, -0.0011664000000000, 0.0003839000000000 ] - [ -0.0003382900000000, -0.0017978500000000, 0.0012461000000000 ] - [ 0.0004783700000000, -0.0027756000000000, 0.0005289000000000 ] - [ 0.0001712600000000, -0.0028929000000000, 0.0006928600000000 ] - [ 0.0006838300000000, -0.0041440100000000, -0.0035208600000000 ] - [ 0.0016053700000000, 0.0002275700000000, -0.0009854100000000 ] - [ -0.0007181100000000, -0.0026412500000000, -0.0006383400000000 ] - [ -0.0006214300000000, -0.0053244000000000, -0.0015962500000000 ] - [ 0.0009782500000000, 0.0029101300000000, -0.0021354600000000 ] - [ 0.0185323500000000, 0.0435326700000000, 0.0354619900000000 ] - [ 0.0008605100000000, -0.0002919100000000, 0.0016144800000000 ] - [ -0.0006514900000000, -0.0005775700000000, 0.0002334900000000 ] - [ -0.0000862700000000, 0.0005387800000000, -0.0007404000000000 ] - [ -0.0005517800000000, 0.0000190700000000, 0.0002124900000000 ] - [ 0.0010677900000000, -0.0003560300000000, 0.0000229900000000 ] - [ 0.0002269700000000, 0.0000466200000000, 0.0001422000000000 ] - [ -0.0021964300000000, -0.0003823200000000, 0.0002020400000000 ] - [ 0.0006667200000000, -0.0000128300000000, -0.0004571500000000 ] - [ 0.0009655300000000, -0.0000932500000000, -0.0000323500000000 ] - [ 0.0008800300000000, -0.0000796700000000, -0.0000767300000000 ] - [ 0.0010611700000000, -0.0013271800000000, -0.0011223900000000 ] - [ -0.0010214000000000, -0.0000737900000000, 0.0001656200000000 ] - [ 0.0002662200000000, -0.0002464300000000, 0.0005059300000000 ] - [ 0.0001523200000000, -0.0001490200000000, 0.0004536900000000 ] - [ -0.0004177900000000, 0.0008378500000000, 0.0008781300000000 ] - [ -0.0003875200000000, -0.0000516600000000, 0.0000790500000000 ] - [ 0.0001652100000000, -0.0002341200000000, 0.0002854100000000 ] - [ -0.0005133700000000, -0.0001408500000000, -0.0008499000000000 ] - [ -0.0007350700000000, -0.0008859700000000, -0.0012491600000000 ] - [ 0.0002618800000000, -0.0010177900000000, 0.0006480800000000 ] - [ -0.0007950800000000, -0.0002394600000000, 0.0007639500000000 ] - [ 0.0073399600000000, 0.0103468300000000, 0.0062443900000000 ] - [ 0.0003324900000000, 0.0011088200000000, 0.0009186500000000 ] - [ -0.0006048700000000, 0.0034871100000000, 0.0001437400000000 ] - [ -0.0003374100000000, 0.0011206700000000, 0.0003753800000000 ] - [ -0.0004423100000000, 0.0005449000000000, -0.0000371700000000 ] - [ -0.0023575900000000, 0.0027378200000000, -0.0069820100000000 ] - [ -0.0006625600000000, -0.0004328700000000, -0.0009512900000000 ] - [ -0.0044336600000000, 0.0028777400000000, -0.0027597700000000 ] - [ 0.0040429100000000, -0.0012526500000000, -0.0005412100000000 ] - [ -0.0005237400000000, 0.0010977000000000, -0.0006163900000000 ] - [ -0.0006960400000000, 0.0011160700000000, -0.0005517900000000 ] - [ 0.0001847600000000, 0.0004790000000000, 0.0003222200000000 ] - [ 0.0005748100000000, 0.0006180200000000, -0.0000159900000000 ] - [ -0.0002531900000000, -0.0016791800000000, 0.0081430700000000 ] - [ 0.0004375100000000, -0.0008354800000000, -0.0004764500000000 ] - [ -0.0010448900000000, 0.0008717300000000, 0.0005241700000000 ] - [ 0.0006891700000000, 0.0013652600000000, 0.0000976000000000 ] - [ 0.0026224500000000, 0.0009513000000000, -0.0024206200000000 ] - [ -0.0005798800000000, -0.0003815000000000, -0.0010892500000000 ] - [ -0.0009475800000000, 0.0001857300000000, 0.0003889900000000 ] - [ -0.0007439000000000, 0.0001445400000000, 0.0004911800000000 ] - [ 0.0000196400000000, 0.0003004900000000, -0.0008890700000000 ] - [ 0.0008632700000000, 0.0003544700000000, -0.0007387400000000 ] - [ -0.0060487400000000, -0.0838842800000000, -0.0202107900000000 ] - [ 0.0005109500000000, -0.0010856200000000, 0.0005527500000000 ] - [ 0.0001326900000000, 0.0005111300000000, -0.0002453100000000 ] - [ 0.0001169500000000, 0.0010314600000000, -0.0002560400000000 ] - [ 0.0003096400000000, 0.0003253800000000, 0.0004791800000000 ] - [ 0.0006945800000000, 0.0005502000000000, 0.0011988000000000 ] - [ -0.0015319500000000, -0.0000062700000000, 0.0008479400000000 ] - [ -0.0000211200000000, 0.0007848100000000, 0.0003012400000000 ] - [ -0.0000193500000000, 0.0007572000000000, -0.0007849000000000 ] - [ 0.0002480700000000, 0.0003245800000000, -0.0006834200000000 ] - [ -0.0000017800000000, -0.0003164500000000, 0.0036146400000000 ] - [ -0.0006947700000000, -0.0001465300000000, 0.0005244600000000 ] - [ 0.0001949800000000, 0.0001280200000000, -0.0008214700000000 ] - [ -0.0000846900000000, -0.0009423400000000, -0.0009574800000000 ] - [ 0.0098766800000000, 0.0039842600000000, 0.0084881700000000 ] - [ -0.0019595400000000, -0.0009537600000000, 0.0007885200000000 ] - [ 0.0005037700000000, 0.0028404400000000, 0.0003520500000000 ] - [ 0.0007685300000000, 0.0008464300000000, 0.0003066700000000 ] - [ 0.0001002600000000, -0.0013107800000000, 0.0008075500000000 ] - [ -0.0017243500000000, -0.0028560600000000, -0.0022555500000000 ] - [ 0.0007131900000000, 0.0012918800000000, -0.0000928700000000 ] - [ 0.0007254400000000, 0.0013857400000000, 0.0000373300000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0186837500000000, -0.0342446400000000, 0.0279610000000000 ] - [ 0.0004384300000000, -0.0053814800000000, -0.0016270900000000 ] - [ -0.0019673500000000, 0.0047659300000000, 0.0003559900000000 ] - [ 0.0061618800000000, 0.0070132900000000, -0.0032538000000000 ] - [ 0.0004158400000000, 0.0015260900000000, -0.0013425600000000 ] - [ -0.0008023000000000, 0.0021455800000000, -0.0021975600000000 ] - [ -0.0001368600000000, 0.0013304900000000, 0.0007234200000000 ] - [ 0.0001711200000000, 0.0014467600000000, 0.0005572100000000 ] - [ 0.0009894200000000, 0.0056553900000000, 0.0023546900000000 ] - [ 0.0000679800000000, 0.0012610700000000, -0.0001975300000000 ] - [ -0.0005514300000000, 0.0022167600000000, -0.0002201400000000 ] - [ -0.0006528200000000, 0.0049157000000000, 0.0007423900000000 ] - [ 0.0006996600000000, -0.0043973000000000, 0.0009587200000000 ] - [ -0.0173216700000000, -0.0446806900000000, -0.0374529300000000 ] - [ -0.0021472600000000, 0.0007216500000000, -0.0024863400000000 ] - [ -0.0006123200000000, 0.0009979100000000, -0.0011008600000000 ] - [ -0.0004922400000000, -0.0011269100000000, 0.0000767200000000 ] - [ -0.0000187300000000, -0.0006040200000000, -0.0008894100000000 ] - [ 0.0005733400000000, 0.0003088700000000, -0.0000727100000000 ] - [ 0.0014268900000000, -0.0000976100000000, -0.0001932100000000 ] - [ 0.0016254700000000, 0.0009745600000000, -0.0008903400000000 ] - [ -0.0012329500000000, 0.0005972700000000, -0.0002238600000000 ] - [ 0.0006818600000000, 0.0001418700000000, -0.0000162600000000 ] - [ 0.0007687000000000, 0.0001285800000000, 0.0000286400000000 ] - [ -0.0019204100000000, 0.0020238800000000, 0.0012471200000000 ] - [ 0.0001551100000000, 0.0007825800000000, -0.0000304800000000 ] - [ 0.0000440700000000, 0.0004217400000000, 0.0002705400000000 ] - [ 0.0001599600000000, 0.0003224500000000, 0.0003236200000000 ] - [ -0.0004452100000000, -0.0015440800000000, -0.0007503500000000 ] - [ -0.0004816200000000, -0.0006569200000000, 0.0000555300000000 ] - [ 0.0001462600000000, 0.0000607900000000, 0.0004923900000000 ] - [ 0.0008331700000000, -0.0000321300000000, 0.0016490400000000 ] - [ 0.0009068500000000, 0.0007208800000000, 0.0021110900000000 ] - [ -0.0000798800000000, 0.0008390800000000, 0.0002441900000000 ] - [ 0.0000433600000000, 0.0006090900000000, -0.0014323300000000 ] - [ -0.0082027800000000, -0.0103055800000000, -0.0070260800000000 ] - [ -0.0001497600000000, -0.0009307300000000, -0.0000324200000000 ] - [ 0.0007871500000000, -0.0032928900000000, 0.0007330500000000 ] - [ -0.0004150700000000, -0.0014969600000000, -0.0010460000000000 ] - [ -0.0003098900000000, -0.0009126300000000, -0.0006252000000000 ] - [ 0.0019930700000000, -0.0032318200000000, 0.0062529600000000 ] - [ 0.0002891400000000, 0.0000126100000000, 0.0000799200000000 ] - [ 0.0050452300000000, -0.0031899900000000, 0.0030919100000000 ] - [ -0.0035459000000000, 0.0009721100000000, 0.0008743500000000 ] - [ 0.0001517100000000, -0.0006802400000000, -0.0002584200000000 ] - [ 0.0003214200000000, -0.0006966100000000, -0.0003250700000000 ] - [ 0.0003491000000000, -0.0001837100000000, -0.0000050200000000 ] - [ -0.0000429400000000, -0.0003238500000000, 0.0003343700000000 ] - [ 0.0005078500000000, 0.0016306000000000, -0.0085238100000000 ] - [ -0.0001624800000000, 0.0007854900000000, 0.0000591000000000 ] - [ -0.0003310600000000, -0.0002516800000000, 0.0004969600000000 ] - [ -0.0020887400000000, -0.0007544900000000, 0.0009297400000000 ] - [ -0.0023404000000000, -0.0009052700000000, 0.0020030400000000 ] - [ 0.0008457900000000, 0.0004301800000000, 0.0006621600000000 ] - [ -0.0004308700000000, -0.0008062300000000, 0.0006318800000000 ] - [ -0.0006368600000000, -0.0007635300000000, 0.0005281400000000 ] - [ 0.0001132700000000, -0.0004235900000000, 0.0005965600000000 ] - [ -0.0007364000000000, -0.0004788500000000, 0.0004545700000000 ] - [ 0.0072045200000000, 0.0830907600000000, 0.0220937100000000 ] - [ 0.0003236800000000, 0.0006856300000000, 0.0006995900000000 ] - [ -0.0000001500000000, -0.0003886100000000, -0.0000498800000000 ] - [ 0.0000191000000000, -0.0009109300000000, -0.0000427300000000 ] - [ 0.0005317500000000, 0.0000757400000000, 0.0007794700000000 ] - [ 0.0001408500000000, -0.0001477800000000, 0.0000515900000000 ] - [ 0.0003456700000000, -0.0009451700000000, 0.0001789400000000 ] - [ -0.0011616500000000, -0.0017442300000000, 0.0007187300000000 ] - [ 0.0006925900000000, -0.0011039500000000, -0.0003017300000000 ] - [ 0.0004193100000000, -0.0006670800000000, -0.0004058400000000 ] - [ -0.0011821100000000, 0.0013044800000000, -0.0025988500000000 ] - [ -0.0004808600000000, 0.0011051000000000, 0.0004951700000000 ] - [ 0.0004733400000000, 0.0002143400000000, -0.0002660900000000 ] - [ 0.0007556400000000, 0.0013015700000000, -0.0001373300000000 ] - [ -0.0101884000000000, -0.0034570300000000, -0.0083361000000000 ] - [ 0.0015634600000000, 0.0014592800000000, -0.0006462100000000 ] - [ 0.0008233700000000, -0.0033104700000000, -0.0000804900000000 ] - [ 0.0005486100000000, -0.0012917000000000, -0.0000468300000000 ] - [ -0.0004921400000000, 0.0007985500000000, -0.0006699500000000 ] - [ 0.0013191100000000, 0.0023554100000000, 0.0023326900000000 ] - [ 0.0006077900000000, -0.0008458900000000, 0.0003509500000000 ] - [ 0.0005958900000000, -0.0009428400000000, 0.0002199600000000 ]- atom: 59 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ 0.0052490800000000, -0.0052488900000000, 0.0390777000000000 ] - [ 0.0022925600000000, 0.0005345900000000, -0.0024820900000000 ] - [ -0.0004406300000000, 0.0017858900000000, 0.0000137700000000 ] - [ 0.0036288200000000, 0.0073262800000000, 0.0110192000000000 ] - [ 0.0013792500000000, 0.0003161600000000, -0.0026992100000000 ] - [ -0.0042428100000000, 0.0065050500000000, -0.0017454400000000 ] - [ 0.0000879700000000, -0.0011624700000000, -0.0006177100000000 ] - [ 0.0007721100000000, -0.0008011400000000, 0.0003443600000000 ] - [ -0.0012473200000000, -0.0060184200000000, -0.0050241300000000 ] - [ 0.0017792000000000, -0.0006061300000000, -0.0022396500000000 ] - [ -0.0009114800000000, -0.0005942100000000, 0.0003643200000000 ] - [ -0.0005128700000000, 0.0005747100000000, 0.0010290700000000 ] - [ 0.0022184600000000, -0.0001827500000000, 0.0003550100000000 ] - [ 0.0228474000000000, 0.0163660300000000, 0.0527205600000000 ] - [ -0.0063448300000000, 0.0022249200000000, -0.0056023800000000 ] - [ 0.0032210700000000, -0.0036218000000000, -0.0053559800000000 ] - [ 0.0013405300000000, 0.0027740100000000, -0.0040155800000000 ] - [ -0.0003265300000000, -0.0004437000000000, -0.0022574500000000 ] - [ 0.0008575000000000, -0.0001214300000000, 0.0001909500000000 ] - [ 0.0005953600000000, 0.0001850700000000, 0.0001061700000000 ] - [ 0.0004618500000000, 0.0006587100000000, 0.0018006300000000 ] - [ -0.0002258600000000, 0.0000054500000000, 0.0007734400000000 ] - [ 0.0010621500000000, 0.0000279100000000, -0.0001675100000000 ] - [ 0.0005722500000000, -0.0001124600000000, -0.0000318500000000 ] - [ 0.0005085800000000, -0.0012386000000000, 0.0003027800000000 ] - [ -0.0012982200000000, -0.0001560300000000, 0.0003486700000000 ] - [ 0.0001563600000000, 0.0000350500000000, 0.0004538000000000 ] - [ 0.0001466700000000, 0.0000442700000000, 0.0003703900000000 ] - [ 0.0004077100000000, 0.0012615700000000, -0.0010025400000000 ] - [ -0.0012214300000000, -0.0001204100000000, -0.0007329600000000 ] - [ 0.0002303800000000, -0.0001823400000000, 0.0005160600000000 ] - [ 0.0002669400000000, -0.0004513200000000, 0.0005250600000000 ] - [ 0.0030551600000000, -0.0038036600000000, 0.0051276200000000 ] - [ -0.0008715500000000, -0.0007622300000000, 0.0026152500000000 ] - [ -0.0001442000000000, 0.0000930200000000, -0.0006315600000000 ] - [ 0.0013229600000000, 0.0057217000000000, -0.0075230400000000 ] - [ -0.0003290200000000, -0.0003626600000000, 0.0000891000000000 ] - [ 0.0001511800000000, -0.0017838100000000, -0.0009058400000000 ] - [ -0.0001655700000000, 0.0014257600000000, 0.0011236800000000 ] - [ -0.0005752400000000, 0.0004584500000000, 0.0003214200000000 ] - [ -0.0005755400000000, -0.0111687900000000, 0.0029302800000000 ] - [ -0.0004614600000000, -0.0004187900000000, -0.0000829700000000 ] - [ -0.0005992800000000, 0.0007802600000000, -0.0022482500000000 ] - [ -0.0031207700000000, -0.0024043300000000, -0.0009531500000000 ] - [ -0.0002978100000000, 0.0000203600000000, -0.0002127400000000 ] - [ 0.0001981600000000, -0.0002619700000000, -0.0000413200000000 ] - [ 0.0001381500000000, 0.0003495100000000, 0.0006245300000000 ] - [ -0.0003105100000000, -0.0008851600000000, 0.0006049900000000 ] - [ 0.0028615400000000, -0.0020528600000000, 0.0182032600000000 ] - [ -0.0001809500000000, -0.0001530800000000, 0.0014646300000000 ] - [ -0.0008335200000000, 0.0003280900000000, 0.0004295700000000 ] - [ 0.0000952200000000, 0.0003720900000000, -0.0000336600000000 ] - [ -0.0031259100000000, -0.0021858400000000, 0.0014606900000000 ] - [ 0.0014292100000000, -0.0017782300000000, -0.0007391000000000 ] - [ -0.0007350100000000, -0.0001444400000000, 0.0006738400000000 ] - [ -0.0006376800000000, -0.0000226600000000, 0.0005157200000000 ] - [ 0.0005728500000000, -0.0002419400000000, 0.0003867100000000 ] - [ -0.0024961300000000, -0.0006915000000000, 0.0020138600000000 ] - [ -0.0395603800000000, -0.0145819100000000, -0.1302274600000000 ] - [ 0.0000599400000000, -0.0003127800000000, -0.0001925300000000 ] - [ 0.0002858600000000, 0.0000954100000000, -0.0003022200000000 ] - [ 0.0002499400000000, 0.0000646700000000, -0.0006304600000000 ] - [ 0.0000779800000000, 0.0002757700000000, 0.0016511600000000 ] - [ 0.0027860900000000, -0.0001535100000000, 0.0038811400000000 ] - [ -0.0013723700000000, 0.0001365900000000, 0.0004654600000000 ] - [ 0.0005686900000000, 0.0011633600000000, 0.0003050800000000 ] - [ -0.0000528900000000, 0.0000260600000000, -0.0011020800000000 ] - [ 0.0003387900000000, -0.0000630900000000, -0.0007214600000000 ] - [ -0.0036114200000000, 0.0070599400000000, 0.0125423900000000 ] - [ 0.0009382200000000, 0.0006136100000000, 0.0009530400000000 ] - [ -0.0003371600000000, 0.0004050400000000, -0.0002084900000000 ] - [ 0.0044997000000000, 0.0042847500000000, 0.0042723000000000 ] - [ 0.0063268900000000, 0.0045569900000000, 0.0004826000000000 ] - [ -0.0030967500000000, 0.0012627300000000, 0.0008444700000000 ] - [ 0.0000630900000000, -0.0010415500000000, -0.0012867200000000 ] - [ 0.0007485400000000, -0.0001438900000000, 0.0001525800000000 ] - [ -0.0010560100000000, 0.0001943500000000, 0.0031211400000000 ] - [ 0.0025108700000000, -0.0052670900000000, 0.0039932900000000 ] - [ 0.0003985800000000, 0.0008911600000000, 0.0000007800000000 ] - [ 0.0015592900000000, 0.0005424800000000, 0.0004550200000000 ]- atom: 59 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ -0.0054591900000000, 0.0045847300000000, -0.0391813100000000 ] - [ -0.0034256000000000, -0.0008860900000000, 0.0015423600000000 ] - [ 0.0008070400000000, -0.0003755800000000, 0.0012430800000000 ] - [ -0.0032888900000000, -0.0058889100000000, -0.0097207600000000 ] - [ -0.0025181500000000, 0.0000317800000000, 0.0017425400000000 ] - [ 0.0031005800000000, -0.0061517700000000, 0.0007802700000000 ] - [ 0.0002495700000000, -0.0002910400000000, 0.0018636600000000 ] - [ -0.0004210900000000, -0.0006482300000000, 0.0008992300000000 ] - [ 0.0028935800000000, 0.0074940400000000, 0.0038583100000000 ] - [ -0.0001056100000000, 0.0020897800000000, 0.0010680100000000 ] - [ -0.0003584400000000, 0.0001549100000000, -0.0012256500000000 ] - [ -0.0007579200000000, -0.0010014200000000, -0.0018848300000000 ] - [ -0.0005512700000000, -0.0012856100000000, -0.0015566600000000 ] - [ -0.0223066300000000, -0.0184549600000000, -0.0551086100000000 ] - [ 0.0050541000000000, -0.0017874800000000, 0.0047316200000000 ] - [ -0.0045130000000000, 0.0040898700000000, 0.0045303800000000 ] - [ -0.0019217800000000, -0.0033338700000000, 0.0033518200000000 ] - [ -0.0002427500000000, -0.0001431100000000, 0.0015802900000000 ] - [ 0.0007881200000000, 0.0000712500000000, -0.0002385500000000 ] - [ 0.0010511400000000, -0.0002333600000000, -0.0001548900000000 ] - [ -0.0010182000000000, -0.0000627500000000, -0.0024862400000000 ] - [ -0.0003514500000000, 0.0005853200000000, -0.0014540500000000 ] - [ 0.0005844200000000, 0.0000209800000000, 0.0001192500000000 ] - [ 0.0010768700000000, 0.0001601700000000, -0.0000176200000000 ] - [ -0.0013756200000000, 0.0019478400000000, -0.0001599000000000 ] - [ 0.0004303400000000, 0.0008628700000000, -0.0002156100000000 ] - [ 0.0001547700000000, 0.0001378300000000, 0.0003238900000000 ] - [ 0.0001650400000000, 0.0001281900000000, 0.0004076200000000 ] - [ -0.0012785600000000, -0.0019733300000000, 0.0011399000000000 ] - [ 0.0003524900000000, -0.0005881300000000, 0.0008653400000000 ] - [ 0.0000803900000000, 0.0000098600000000, 0.0002582300000000 ] - [ 0.0000422400000000, 0.0002804000000000, 0.0002525800000000 ] - [ -0.0028834400000000, 0.0036288700000000, -0.0042684300000000 ] - [ 0.0010513100000000, 0.0005846000000000, -0.0017441800000000 ] - [ -0.0006129900000000, 0.0002724600000000, -0.0000238500000000 ] - [ -0.0020451100000000, -0.0053211600000000, 0.0069084800000000 ] - [ 0.0005156500000000, 0.0005509200000000, 0.0008024700000000 ] - [ 0.0000336900000000, 0.0019559600000000, 0.0017945700000000 ] - [ -0.0005867700000000, -0.0017919300000000, -0.0017881000000000 ] - [ -0.0001771200000000, -0.0008258500000000, -0.0009867600000000 ] - [ 0.0001928100000000, 0.0105963800000000, -0.0037633500000000 ] - [ 0.0000789000000000, -0.0000021400000000, -0.0007981800000000 ] - [ 0.0011211700000000, -0.0010537800000000, 0.0025317700000000 ] - [ 0.0036324900000000, 0.0020951800000000, 0.0012590700000000 ] - [ -0.0000790700000000, 0.0004036200000000, -0.0006628000000000 ] - [ -0.0005701500000000, 0.0006806200000000, -0.0008324300000000 ] - [ 0.0003975400000000, -0.0000495400000000, -0.0003065200000000 ] - [ 0.0008435800000000, 0.0011832900000000, -0.0002827200000000 ] - [ -0.0025377800000000, 0.0021116400000000, -0.0181876300000000 ] - [ 0.0004559700000000, 0.0001043700000000, -0.0018831600000000 ] - [ -0.0005473700000000, 0.0002950600000000, 0.0005904300000000 ] - [ -0.0014726000000000, 0.0002486200000000, 0.0010494900000000 ] - [ 0.0034366000000000, 0.0022651000000000, -0.0018984100000000 ] - [ -0.0011489300000000, 0.0018203200000000, 0.0003307300000000 ] - [ -0.0006435000000000, -0.0004750300000000, 0.0003462400000000 ] - [ -0.0007459800000000, -0.0005970800000000, 0.0005053500000000 ] - [ -0.0004370300000000, 0.0001185700000000, -0.0006873600000000 ] - [ 0.0026387100000000, 0.0005693300000000, -0.0023243700000000 ] - [ 0.0405884000000000, 0.0151819000000000, 0.1317703900000000 ] - [ 0.0007804800000000, -0.0000913800000000, 0.0014527300000000 ] - [ -0.0001523000000000, 0.0000294900000000, 0.0000074200000000 ] - [ -0.0001193600000000, 0.0000593400000000, 0.0003385400000000 ] - [ 0.0007565800000000, 0.0001294600000000, -0.0003976600000000 ] - [ -0.0019473600000000, 0.0005552300000000, -0.0026267400000000 ] - [ 0.0001926600000000, -0.0010912400000000, 0.0005512500000000 ] - [ -0.0017431500000000, -0.0021197500000000, 0.0007134500000000 ] - [ 0.0007211500000000, -0.0003678100000000, 0.0000115400000000 ] - [ 0.0003293500000000, -0.0002763500000000, -0.0003683700000000 ] - [ 0.0024521700000000, -0.0062752400000000, -0.0117864700000000 ] - [ -0.0021196000000000, 0.0003415700000000, 0.0000685100000000 ] - [ 0.0010120300000000, -0.0000672900000000, -0.0008800400000000 ] - [ -0.0038281000000000, -0.0039437200000000, -0.0053659600000000 ] - [ -0.0066838800000000, -0.0040300900000000, -0.0004154800000000 ] - [ 0.0026863800000000, -0.0007418500000000, -0.0007076600000000 ] - [ 0.0012593000000000, 0.0005893600000000, 0.0015405100000000 ] - [ 0.0005707600000000, -0.0002969100000000, 0.0001059500000000 ] - [ 0.0006642300000000, -0.0007067400000000, -0.0029687500000000 ] - [ -0.0029520100000000, 0.0047571100000000, -0.0039440200000000 ] - [ 0.0009220500000000, -0.0004515600000000, 0.0002622700000000 ] - [ -0.0002368900000000, -0.0000961000000000, -0.0001954600000000 ]- atom: 65 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ -0.0021457700000000, 0.0031577100000000, 0.0004371100000000 ] - [ 0.0004411200000000, -0.0066592900000000, -0.0033484300000000 ] - [ -0.0020127600000000, 0.0000333100000000, 0.0002299700000000 ] - [ 0.0029872900000000, -0.0023966100000000, 0.0002140300000000 ] - [ 0.0043030000000000, 0.0041717300000000, 0.0038449700000000 ] - [ -0.0014931400000000, 0.0003695900000000, 0.0042970800000000 ] - [ 0.0014016700000000, -0.0019766200000000, -0.0010202800000000 ] - [ -0.0025867200000000, 0.0033720900000000, 0.0078392400000000 ] - [ -0.0086986200000000, 0.0020320500000000, -0.0030578400000000 ] - [ 0.1125844400000000, 0.0303970700000000, -0.0395480600000000 ] - [ -0.0032695000000000, 0.0000830600000000, -0.0019917200000000 ] - [ -0.0027584200000000, -0.0147863800000000, 0.0110358700000000 ] - [ 0.0005929700000000, -0.0022823000000000, -0.0010457000000000 ] - [ 0.0012332100000000, -0.0001393000000000, 0.0004868300000000 ] - [ -0.0006013100000000, -0.0000142900000000, -0.0006529200000000 ] - [ -0.0005671400000000, -0.0014849900000000, -0.0000808200000000 ] - [ 0.0005143900000000, -0.0008734400000000, -0.0013483400000000 ] - [ -0.0007556300000000, 0.0001124000000000, 0.0014657600000000 ] - [ 0.0002205200000000, -0.0003448200000000, 0.0003060000000000 ] - [ 0.0012768300000000, 0.0001780100000000, -0.0002659800000000 ] - [ -0.0007431700000000, 0.0005539300000000, 0.0004567000000000 ] - [ 0.0004932300000000, 0.0003431900000000, -0.0017286100000000 ] - [ 0.0012720600000000, 0.0000982400000000, -0.0001502700000000 ] - [ 0.0003640500000000, -0.0001302600000000, 0.0002580200000000 ] - [ 0.0503614000000000, -0.0959019200000000, -0.0579863300000000 ] - [ -0.0012767600000000, 0.0006384900000000, -0.0003725200000000 ] - [ 0.0000387500000000, -0.0007135800000000, -0.0005827500000000 ] - [ 0.0005447600000000, 0.0002133900000000, 0.0003217300000000 ] - [ -0.0006658700000000, -0.0005353600000000, 0.0004017300000000 ] - [ -0.0002265600000000, -0.0003301300000000, -0.0001211800000000 ] - [ 0.0001773200000000, -0.0001401000000000, 0.0004235500000000 ] - [ 0.0001576200000000, -0.0001693900000000, 0.0004591200000000 ] - [ 0.0007886300000000, -0.0007943400000000, 0.0008404900000000 ] - [ -0.0005051900000000, 0.0020843500000000, -0.0006829400000000 ] - [ -0.0001518200000000, 0.0006165200000000, -0.0004658500000000 ] - [ -0.0006616200000000, 0.0006653600000000, -0.0006247100000000 ] - [ 0.0000688400000000, -0.0001481300000000, 0.0007566900000000 ] - [ -0.0004125400000000, -0.0006379300000000, -0.0102682800000000 ] - [ -0.0002274400000000, 0.0013678100000000, 0.0013232800000000 ] - [ 0.0024612100000000, -0.0041956100000000, -0.0058839800000000 ] - [ -0.0005253500000000, -0.0003864900000000, -0.0004738200000000 ] - [ 0.0006328800000000, 0.0014286000000000, 0.0000668600000000 ] - [ 0.0011587300000000, -0.0007595400000000, -0.0000904700000000 ] - [ -0.0013706300000000, 0.0021103800000000, 0.0007816500000000 ] - [ 0.0002072000000000, -0.0007705100000000, -0.0014809000000000 ] - [ -0.0008713300000000, 0.0002580000000000, -0.0015193700000000 ] - [ -0.0011582300000000, -0.0009455500000000, 0.0019510800000000 ] - [ 0.0043724600000000, -0.0005948500000000, -0.0063969200000000 ] - [ 0.0008632700000000, -0.0024164500000000, 0.0008013100000000 ] - [ 0.0023003900000000, 0.0064903200000000, 0.0001399700000000 ] - [ 0.0002060000000000, 0.0004675900000000, 0.0003179900000000 ] - [ -0.0016358600000000, 0.0017178100000000, 0.0010000200000000 ] - [ 0.0005970600000000, -0.0000588100000000, -0.0019405200000000 ] - [ -0.0006979000000000, -0.0006588300000000, 0.0006663900000000 ] - [ -0.0010438900000000, -0.0000713600000000, 0.0009790300000000 ] - [ 0.0002576700000000, -0.0007356400000000, -0.0003666400000000 ] - [ 0.0005404600000000, 0.0000316500000000, -0.0003356600000000 ] - [ -0.0007042200000000, 0.0003504100000000, 0.0007061100000000 ] - [ 0.0001157100000000, -0.0011358200000000, -0.0004551800000000 ] - [ 0.0016145500000000, 0.0003701600000000, 0.0026719400000000 ] - [ -0.0004209100000000, 0.0000429400000000, 0.0007948400000000 ] - [ 0.0038787300000000, -0.0001926900000000, -0.0063893100000000 ] - [ -0.0080256300000000, -0.0004003600000000, -0.0078040800000000 ] - [ 0.0033629100000000, 0.0003067300000000, 0.0041521500000000 ] - [ -0.1796298400000000, 0.0636958600000000, 0.1122349100000000 ] - [ 0.0041496300000000, -0.0003813200000000, -0.0003298800000000 ] - [ 0.0064629200000000, 0.0049954100000000, -0.0033159300000000 ] - [ 0.0045385000000000, -0.0021894100000000, 0.0015891000000000 ] - [ -0.0000179800000000, 0.0003635900000000, 0.0000046800000000 ] - [ -0.0011339700000000, 0.0008725400000000, 0.0009313100000000 ] - [ 0.0003066300000000, 0.0004883800000000, -0.0004792400000000 ] - [ 0.0004262400000000, 0.0001951000000000, -0.0005888900000000 ] - [ 0.0008666800000000, -0.0020412500000000, -0.0016667800000000 ] - [ 0.0053044700000000, 0.0108611300000000, 0.0003016100000000 ] - [ 0.0006901200000000, 0.0027874700000000, 0.0011844100000000 ] - [ 0.0010451300000000, -0.0003420500000000, 0.0004130700000000 ] - [ -0.0015637100000000, 0.0006064500000000, -0.0004412900000000 ] - [ 0.0007276200000000, -0.0010718700000000, -0.0009917800000000 ] - [ 0.0007994600000000, -0.0000077900000000, -0.0008672100000000 ] - [ 0.0008507300000000, 0.0008865400000000, 0.0000747700000000 ]- atom: 65 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ 0.0010320900000000, -0.0035047700000000, -0.0014010300000000 ] - [ -0.0015877800000000, 0.0062586700000000, 0.0023935400000000 ] - [ 0.0023606800000000, 0.0014107800000000, 0.0010144300000000 ] - [ -0.0026582900000000, 0.0038638300000000, 0.0010335800000000 ] - [ -0.0054605300000000, -0.0038284800000000, -0.0047901700000000 ] - [ 0.0003449600000000, -0.0000345500000000, -0.0053527600000000 ] - [ -0.0010526600000000, 0.0005325900000000, 0.0022685900000000 ] - [ 0.0029581100000000, -0.0048319400000000, -0.0066569000000000 ] - [ 0.0103508900000000, -0.0005607100000000, 0.0018584900000000 ] - [ -0.1165078600000000, -0.0304609800000000, 0.0419015300000000 ] - [ 0.0019998300000000, -0.0005197200000000, 0.0011498500000000 ] - [ 0.0015776900000000, 0.0143886500000000, -0.0118879600000000 ] - [ 0.0010765600000000, 0.0008015400000000, -0.0001402800000000 ] - [ 0.0004398000000000, -0.0013441200000000, -0.0016818200000000 ] - [ -0.0006674300000000, 0.0004407800000000, -0.0002041000000000 ] - [ -0.0007049500000000, 0.0019004500000000, -0.0007675600000000 ] - [ -0.0010889100000000, 0.0002895800000000, 0.0006770500000000 ] - [ 0.0001900100000000, -0.0006970100000000, -0.0021374000000000 ] - [ 0.0014354200000000, 0.0002961700000000, -0.0003571500000000 ] - [ 0.0003661200000000, -0.0002292100000000, 0.0002195600000000 ] - [ 0.0001734800000000, 0.0000321900000000, -0.0011358200000000 ] - [ -0.0010779700000000, 0.0002249300000000, 0.0010323000000000 ] - [ 0.0003707800000000, -0.0000479600000000, 0.0001047800000000 ] - [ 0.0012890200000000, 0.0001819400000000, -0.0003131900000000 ] - [ -0.0534480900000000, 0.0970552400000000, 0.0581705800000000 ] - [ 0.0004124600000000, 0.0000745000000000, 0.0005116400000000 ] - [ 0.0002897400000000, 0.0008929700000000, 0.0013545600000000 ] - [ -0.0002330100000000, -0.0000393000000000, 0.0004577700000000 ] - [ -0.0002030300000000, -0.0001724400000000, -0.0002661500000000 ] - [ -0.0006430400000000, -0.0003782900000000, 0.0002562300000000 ] - [ 0.0001330200000000, -0.0000343700000000, 0.0003532700000000 ] - [ 0.0001540500000000, -0.0000037500000000, 0.0003172600000000 ] - [ -0.0006093700000000, 0.0006176200000000, 0.0000449200000000 ] - [ 0.0006897000000000, -0.0022594400000000, 0.0015669600000000 ] - [ -0.0005992600000000, -0.0002489900000000, -0.0001985500000000 ] - [ -0.0000890300000000, -0.0003034200000000, -0.0000354800000000 ] - [ 0.0001190500000000, 0.0003250200000000, 0.0001240500000000 ] - [ 0.0005591500000000, 0.0007812900000000, 0.0111792300000000 ] - [ -0.0005337900000000, -0.0017151300000000, -0.0019789500000000 ] - [ -0.0033230500000000, 0.0039370000000000, 0.0053913500000000 ] - [ 0.0001509600000000, -0.0000347100000000, -0.0004020600000000 ] - [ -0.0010051200000000, -0.0018457700000000, -0.0009414300000000 ] - [ -0.0006263800000000, 0.0004610700000000, 0.0004102200000000 ] - [ 0.0019104200000000, -0.0024178000000000, -0.0004652400000000 ] - [ -0.0005730600000000, 0.0011818800000000, 0.0006203000000000 ] - [ 0.0004960000000000, 0.0001658100000000, 0.0006574400000000 ] - [ 0.0016914200000000, 0.0012470000000000, -0.0016385300000000 ] - [ -0.0038742700000000, 0.0008946400000000, 0.0067620900000000 ] - [ -0.0006029400000000, 0.0023724300000000, -0.0012192400000000 ] - [ -0.0020331700000000, -0.0065670100000000, -0.0005831300000000 ] - [ -0.0015918900000000, 0.0001538000000000, 0.0007031800000000 ] - [ 0.0002633800000000, -0.0011071800000000, 0.0000161400000000 ] - [ -0.0003213300000000, 0.0001069700000000, 0.0015270600000000 ] - [ 0.0009755900000000, 0.0007171400000000, -0.0010613200000000 ] - [ -0.0003391200000000, -0.0005507900000000, 0.0000347500000000 ] - [ -0.0016600000000000, 0.0001304200000000, 0.0013967600000000 ] - [ -0.0004099700000000, -0.0001535500000000, 0.0000421400000000 ] - [ 0.0008431100000000, -0.0004736300000000, -0.0010079400000000 ] - [ 0.0007191500000000, 0.0007389700000000, 0.0017148100000000 ] - [ -0.0007684200000000, -0.0007682900000000, -0.0014070300000000 ] - [ 0.0005603400000000, 0.0000806000000000, -0.0011013800000000 ] - [ -0.0037824100000000, 0.0003147600000000, 0.0061454000000000 ] - [ 0.0089754600000000, 0.0008078300000000, 0.0090922900000000 ] - [ -0.0024973300000000, 0.0000925800000000, -0.0028420000000000 ] - [ 0.1861700400000000, -0.0636116500000000, -0.1149009200000000 ] - [ -0.0053091200000000, -0.0005663700000000, 0.0013298800000000 ] - [ -0.0056746200000000, -0.0052316700000000, 0.0021872500000000 ] - [ -0.0039516600000000, 0.0018845700000000, -0.0027105900000000 ] - [ -0.0011629400000000, 0.0005924900000000, 0.0010165100000000 ] - [ -0.0000436500000000, 0.0000838700000000, 0.0000876300000000 ] - [ 0.0003645400000000, -0.0001423900000000, -0.0006102300000000 ] - [ 0.0002425600000000, 0.0001474900000000, -0.0004998600000000 ] - [ -0.0012667700000000, 0.0025229600000000, 0.0017919000000000 ] - [ -0.0056600800000000, -0.0104278600000000, -0.0001832000000000 ] - [ 0.0006210600000000, -0.0032646900000000, -0.0009372700000000 ] - [ 0.0002738400000000, -0.0000933300000000, -0.0001541200000000 ] - [ 0.0011819000000000, -0.0011274400000000, 0.0005850500000000 ] - [ -0.0011171800000000, 0.0005495500000000, 0.0011422400000000 ] - [ 0.0005285400000000, 0.0004864100000000, 0.0011394400000000 ] - [ 0.0004685800000000, -0.0004403100000000, 0.0001868000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009497800000000, -0.0020856800000000, -0.0016792600000000 ] - [ -0.0046652700000000, -0.0099265700000000, 0.0009101900000000 ] - [ -0.0005676100000000, -0.0017272100000000, 0.0004744700000000 ] - [ 0.0022050800000000, -0.0051328400000000, 0.0004310800000000 ] - [ 0.0019048400000000, 0.0054038600000000, 0.0034526200000000 ] - [ 0.0004822700000000, 0.0035649300000000, -0.0004677900000000 ] - [ 0.0002903000000000, -0.0004168500000000, 0.0011326100000000 ] - [ -0.0011640200000000, 0.0023054900000000, 0.0008834300000000 ] - [ 0.0013698000000000, 0.0039728500000000, -0.0003472500000000 ] - [ 0.0117873300000000, 0.0360836300000000, -0.0025235200000000 ] - [ -0.0002233500000000, 0.0001252000000000, 0.0001880100000000 ] - [ -0.0077207500000000, 0.0009322500000000, 0.0005334400000000 ] - [ 0.0007019700000000, -0.0026553500000000, -0.0018677900000000 ] - [ 0.0009739900000000, -0.0013972400000000, -0.0015826900000000 ] - [ -0.0005482500000000, -0.0020650800000000, -0.0001482700000000 ] - [ -0.0007997700000000, -0.0049522900000000, 0.0009819100000000 ] - [ -0.0004053500000000, 0.0000403300000000, 0.0000356100000000 ] - [ -0.0000918200000000, -0.0005370700000000, 0.0006034700000000 ] - [ 0.0002102100000000, -0.0002800400000000, 0.0001491500000000 ] - [ 0.0010702100000000, 0.0000563800000000, -0.0000851800000000 ] - [ -0.0004390600000000, 0.0006155400000000, -0.0003752700000000 ] - [ -0.0000862300000000, 0.0007985500000000, -0.0023831700000000 ] - [ 0.0003499300000000, -0.0000005800000000, 0.0000564800000000 ] - [ 0.0016419000000000, 0.0001967800000000, -0.0002769700000000 ] - [ -0.0797549600000000, 0.3004920700000000, 0.1348290100000000 ] - [ -0.0006163200000000, 0.0006159000000000, -0.0000404500000000 ] - [ -0.0001547700000000, -0.0003031600000000, 0.0000631500000000 ] - [ 0.0006468800000000, -0.0001330700000000, 0.0006387000000000 ] - [ -0.0006293800000000, -0.0004326000000000, 0.0002659500000000 ] - [ -0.0003572000000000, -0.0003281600000000, 0.0000706100000000 ] - [ -0.0000385600000000, -0.0004404000000000, 0.0002492900000000 ] - [ 0.0002029800000000, -0.0003663800000000, 0.0003790500000000 ] - [ -0.0002459500000000, 0.0011029700000000, -0.0000438600000000 ] - [ 0.0001739100000000, 0.0031817500000000, -0.0016032500000000 ] - [ -0.0001932500000000, 0.0012565900000000, -0.0007331300000000 ] - [ -0.0005705400000000, 0.0013641200000000, -0.0005396600000000 ] - [ 0.0001750100000000, -0.0009291700000000, 0.0002376500000000 ] - [ -0.0002505100000000, -0.0032464800000000, -0.0002146400000000 ] - [ -0.0004269300000000, -0.0011385700000000, -0.0007622900000000 ] - [ -0.0125985600000000, 0.0047026700000000, 0.0129799000000000 ] - [ 0.0002308600000000, 0.0013822200000000, -0.0001747300000000 ] - [ 0.0003359300000000, 0.0009678400000000, -0.0004259000000000 ] - [ 0.0002998800000000, 0.0003712300000000, 0.0001431100000000 ] - [ -0.0017022600000000, 0.0035810800000000, 0.0007429400000000 ] - [ 0.0013483800000000, -0.0021171900000000, -0.0001663600000000 ] - [ -0.0008914700000000, -0.0006938900000000, -0.0014975800000000 ] - [ -0.0003017600000000, -0.0011491800000000, 0.0003575300000000 ] - [ -0.0009672300000000, -0.0019560400000000, 0.0000017400000000 ] - [ -0.0020308500000000, 0.0022531000000000, -0.0005132400000000 ] - [ 0.0022775600000000, 0.0008549200000000, -0.0027956800000000 ] - [ -0.0000839300000000, 0.0009811500000000, 0.0005738000000000 ] - [ -0.0014330500000000, 0.0023846600000000, 0.0010675600000000 ] - [ 0.0001995100000000, -0.0005955500000000, -0.0010827500000000 ] - [ -0.0004764400000000, -0.0006880800000000, 0.0010103300000000 ] - [ -0.0001168700000000, -0.0002205100000000, 0.0007308000000000 ] - [ -0.0022729800000000, 0.0006496900000000, 0.0002173200000000 ] - [ 0.0000493900000000, 0.0004697600000000, 0.0000193900000000 ] - [ -0.0002402600000000, 0.0008732400000000, 0.0001939400000000 ] - [ 0.0003181700000000, 0.0002664600000000, 0.0012775000000000 ] - [ 0.0032114600000000, 0.0010646200000000, 0.0041690700000000 ] - [ 0.0001089900000000, -0.0000123200000000, -0.0002886900000000 ] - [ 0.0059052900000000, -0.0005996700000000, -0.0077289100000000 ] - [ 0.0015986200000000, -0.0005834000000000, -0.0064458700000000 ] - [ 0.0002167800000000, -0.0004246000000000, 0.0003521900000000 ] - [ 0.0600473500000000, -0.3694617700000000, -0.1323588300000000 ] - [ -0.0004783300000000, -0.0010079300000000, 0.0007360800000000 ] - [ 0.0033932700000000, 0.0003246500000000, -0.0010421400000000 ] - [ -0.0035651900000000, -0.0001101000000000, -0.0017133500000000 ] - [ -0.0004741700000000, 0.0007121300000000, 0.0005912100000000 ] - [ -0.0009862100000000, 0.0008189600000000, 0.0008383600000000 ] - [ 0.0008439100000000, 0.0014179800000000, -0.0002224000000000 ] - [ 0.0003584100000000, 0.0006449300000000, -0.0004672800000000 ] - [ -0.0004265000000000, -0.0003617600000000, 0.0000599100000000 ] - [ 0.0198515900000000, 0.0247279700000000, -0.0011074500000000 ] - [ 0.0011478500000000, 0.0039367500000000, 0.0022589100000000 ] - [ 0.0003164900000000, 0.0007852600000000, 0.0001967200000000 ] - [ -0.0004063100000000, -0.0008086900000000, -0.0003483100000000 ] - [ 0.0000059500000000, -0.0011801000000000, -0.0002963100000000 ] - [ 0.0019171900000000, 0.0032645600000000, -0.0005787800000000 ] - [ 0.0002830500000000, 0.0009205700000000, -0.0001551900000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0021092400000000, 0.0017337800000000, 0.0007264800000000 ] - [ 0.0035569600000000, 0.0094632800000000, -0.0019221600000000 ] - [ 0.0008987300000000, 0.0031733100000000, 0.0007654900000000 ] - [ -0.0018604400000000, 0.0065743600000000, 0.0008035600000000 ] - [ -0.0029932800000000, -0.0050058900000000, -0.0043009300000000 ] - [ -0.0016480300000000, -0.0032269000000000, -0.0004533100000000 ] - [ 0.0000723900000000, -0.0010124900000000, 0.0001105000000000 ] - [ 0.0014574000000000, -0.0036347600000000, 0.0005012500000000 ] - [ 0.0002301100000000, -0.0024880600000000, -0.0008553500000000 ] - [ -0.0097690200000000, -0.0344628900000000, 0.0011412200000000 ] - [ -0.0010670000000000, -0.0005362100000000, -0.0010562300000000 ] - [ 0.0063758200000000, -0.0013342200000000, -0.0014231600000000 ] - [ 0.0009659400000000, 0.0011509200000000, 0.0007018600000000 ] - [ 0.0006948900000000, -0.0001038500000000, 0.0004216800000000 ] - [ -0.0007226700000000, 0.0024936400000000, -0.0007115900000000 ] - [ -0.0004670300000000, 0.0053672200000000, -0.0018362500000000 ] - [ -0.0001614100000000, -0.0006308900000000, -0.0007184600000000 ] - [ -0.0004822100000000, -0.0000389300000000, -0.0012678500000000 ] - [ 0.0014323100000000, 0.0002292700000000, -0.0001970000000000 ] - [ 0.0005842600000000, -0.0001010200000000, 0.0000343300000000 ] - [ -0.0001351900000000, -0.0000264400000000, -0.0002997500000000 ] - [ -0.0004783100000000, -0.0002124900000000, 0.0016963500000000 ] - [ 0.0012949100000000, 0.0000539700000000, -0.0001024400000000 ] - [ 0.0000074000000000, -0.0001476700000000, 0.0002279000000000 ] - [ 0.0864041600000000, -0.3169953400000000, -0.1466512000000000 ] - [ -0.0002620000000000, 0.0000915600000000, 0.0001681400000000 ] - [ 0.0004645500000000, 0.0004745100000000, 0.0007104600000000 ] - [ -0.0003304300000000, 0.0003066300000000, 0.0001362000000000 ] - [ -0.0002412600000000, -0.0002824000000000, -0.0001272500000000 ] - [ -0.0005089600000000, -0.0003831300000000, 0.0000643300000000 ] - [ 0.0003495600000000, 0.0002670100000000, 0.0005275300000000 ] - [ 0.0001099700000000, 0.0001921600000000, 0.0004006000000000 ] - [ 0.0004355200000000, -0.0012821100000000, 0.0009325400000000 ] - [ 0.0000014200000000, -0.0033570000000000, 0.0024989200000000 ] - [ -0.0005596300000000, -0.0008858500000000, 0.0000681100000000 ] - [ -0.0001779800000000, -0.0009887400000000, -0.0001339500000000 ] - [ 0.0000106600000000, 0.0011030800000000, 0.0006483400000000 ] - [ 0.0004142900000000, 0.0033914300000000, 0.0010877200000000 ] - [ -0.0003229100000000, 0.0007731900000000, 0.0001057800000000 ] - [ 0.0117908100000000, -0.0050429500000000, -0.0135293800000000 ] - [ -0.0005990300000000, -0.0017964000000000, -0.0006974300000000 ] - [ -0.0007013800000000, -0.0013660700000000, -0.0004417000000000 ] - [ 0.0002366400000000, -0.0006674600000000, 0.0001757200000000 ] - [ 0.0022533900000000, -0.0039084600000000, -0.0004284100000000 ] - [ -0.0017005900000000, 0.0025023100000000, -0.0007128700000000 ] - [ 0.0005110900000000, 0.0011050400000000, 0.0006085300000000 ] - [ 0.0008094500000000, 0.0014206700000000, -0.0000454500000000 ] - [ 0.0015297900000000, 0.0022157700000000, 0.0002491100000000 ] - [ 0.0023293400000000, -0.0023326300000000, 0.0001078800000000 ] - [ -0.0020009400000000, -0.0008135700000000, 0.0024097000000000 ] - [ -0.0012893500000000, -0.0003599700000000, 0.0004465400000000 ] - [ 0.0000408300000000, -0.0017592900000000, -0.0000422500000000 ] - [ 0.0000794600000000, 0.0006453400000000, 0.0006478700000000 ] - [ 0.0007491400000000, 0.0007369500000000, -0.0014250200000000 ] - [ -0.0012615300000000, -0.0004033000000000, 0.0002929700000000 ] - [ 0.0008852600000000, -0.0012673700000000, 0.0007853200000000 ] - [ 0.0000866700000000, -0.0005916900000000, -0.0003156500000000 ] - [ 0.0003671400000000, -0.0009962200000000, -0.0004796100000000 ] - [ 0.0005240000000000, -0.0006720000000000, -0.0000256400000000 ] - [ -0.0024032200000000, -0.0014640200000000, -0.0029373800000000 ] - [ 0.0000217800000000, 0.0001317100000000, -0.0000034200000000 ] - [ -0.0056666600000000, 0.0007156700000000, 0.0072853200000000 ] - [ -0.0008274700000000, 0.0010379200000000, 0.0075927000000000 ] - [ 0.0006330400000000, 0.0008269400000000, 0.0009124500000000 ] - [ -0.0687455500000000, 0.3858106100000000, 0.1457309800000000 ] - [ -0.0006613000000000, 0.0000473300000000, 0.0002840200000000 ] - [ -0.0026820100000000, -0.0006588600000000, -0.0000530800000000 ] - [ 0.0042056700000000, -0.0002379100000000, 0.0006126000000000 ] - [ -0.0007026300000000, 0.0002496000000000, 0.0004254300000000 ] - [ -0.0001950100000000, 0.0001452000000000, 0.0001812700000000 ] - [ -0.0001741800000000, -0.0010740700000000, -0.0008660300000000 ] - [ 0.0003091600000000, -0.0003023800000000, -0.0006234200000000 ] - [ 0.0000407200000000, 0.0008728900000000, 0.0000757800000000 ] - [ -0.0204995600000000, -0.0245794100000000, 0.0011584100000000 ] - [ 0.0001748100000000, -0.0043547900000000, -0.0019715300000000 ] - [ 0.0010042900000000, -0.0012330300000000, 0.0000634500000000 ] - [ -0.0000039200000000, 0.0003226100000000, 0.0004708200000000 ] - [ -0.0003915200000000, 0.0006736400000000, 0.0004223500000000 ] - [ -0.0005765000000000, -0.0028046400000000, 0.0008235600000000 ] - [ 0.0010356400000000, -0.0004757300000000, 0.0004130700000000 ]- atom: 65 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ 0.0006827200000000, -0.0008475400000000, 0.0001923200000000 ] - [ -0.0025580900000000, 0.0043653000000000, 0.0014384200000000 ] - [ 0.0019746000000000, 0.0017434000000000, 0.0010265400000000 ] - [ -0.0025393200000000, 0.0050267600000000, 0.0017912300000000 ] - [ -0.0080089000000000, -0.0045732300000000, -0.0103320400000000 ] - [ -0.0014212100000000, -0.0016144500000000, -0.0105060000000000 ] - [ -0.0029840500000000, -0.0010439600000000, 0.0002164800000000 ] - [ 0.0062982400000000, -0.0062859700000000, -0.0111322700000000 ] - [ 0.0059934000000000, -0.0008434400000000, 0.0017863800000000 ] - [ -0.0959082100000000, -0.0251293200000000, 0.0531186300000000 ] - [ 0.0007596300000000, -0.0012369100000000, -0.0002008300000000 ] - [ 0.0058014500000000, 0.0167037400000000, -0.0074988800000000 ] - [ 0.0006258900000000, 0.0016009700000000, -0.0010689400000000 ] - [ 0.0009978200000000, -0.0012127400000000, -0.0016767400000000 ] - [ -0.0008147100000000, 0.0008528600000000, -0.0002934500000000 ] - [ -0.0006385800000000, 0.0010718800000000, -0.0002699400000000 ] - [ -0.0010399500000000, 0.0002588900000000, 0.0003895600000000 ] - [ 0.0002796100000000, -0.0006809300000000, -0.0017881200000000 ] - [ 0.0018341500000000, 0.0003129600000000, -0.0004861200000000 ] - [ 0.0000905200000000, -0.0003318800000000, 0.0002925700000000 ] - [ 0.0003291600000000, -0.0001821100000000, -0.0009974700000000 ] - [ -0.0016442600000000, -0.0011904200000000, 0.0001969300000000 ] - [ 0.0006070000000000, -0.0002775600000000, -0.0000684900000000 ] - [ 0.0012534900000000, 0.0003613700000000, -0.0004682000000000 ] - [ -0.0729764600000000, 0.1746982000000000, 0.1046436900000000 ] - [ 0.0002183300000000, 0.0002592600000000, 0.0004353900000000 ] - [ 0.0000412300000000, 0.0005756500000000, 0.0016392100000000 ] - [ 0.0004335500000000, -0.0003467900000000, 0.0011060000000000 ] - [ -0.0000163600000000, 0.0000827100000000, -0.0002571500000000 ] - [ -0.0007807900000000, -0.0003511100000000, 0.0000844600000000 ] - [ 0.0000984700000000, -0.0000976900000000, 0.0003228900000000 ] - [ 0.0001259100000000, 0.0000295400000000, 0.0002089400000000 ] - [ -0.0001998000000000, -0.0002026100000000, 0.0003765200000000 ] - [ 0.0005654800000000, -0.0011625900000000, 0.0006349100000000 ] - [ -0.0004828300000000, -0.0005453200000000, 0.0000417200000000 ] - [ -0.0002331400000000, -0.0006648400000000, 0.0001625200000000 ] - [ 0.0003885900000000, 0.0007506500000000, 0.0009403400000000 ] - [ -0.0024814100000000, -0.0000949900000000, 0.0180895900000000 ] - [ -0.0002453600000000, -0.0006491000000000, -0.0012274100000000 ] - [ -0.0103306500000000, 0.0076276700000000, 0.0113560500000000 ] - [ -0.0004335500000000, -0.0010498900000000, -0.0008297100000000 ] - [ -0.0007772400000000, -0.0015767500000000, -0.0008588000000000 ] - [ -0.0003925900000000, 0.0000090500000000, 0.0002964900000000 ] - [ 0.0015313000000000, -0.0018284000000000, -0.0002835200000000 ] - [ -0.0012588200000000, 0.0022323000000000, 0.0016395500000000 ] - [ 0.0018408900000000, -0.0001808900000000, 0.0019850900000000 ] - [ 0.0032769400000000, 0.0024354500000000, 0.0007410900000000 ] - [ -0.0045401200000000, 0.0003518600000000, 0.0075643600000000 ] - [ 0.0008613200000000, -0.0000888600000000, -0.0014691100000000 ] - [ -0.0009501000000000, -0.0054624400000000, -0.0010540000000000 ] - [ -0.0018070200000000, -0.0000191700000000, 0.0007065800000000 ] - [ 0.0006113600000000, -0.0016761100000000, -0.0001774100000000 ] - [ -0.0003060300000000, 0.0001984000000000, 0.0024606100000000 ] - [ 0.0009438800000000, 0.0014194500000000, -0.0001167500000000 ] - [ -0.0003317900000000, -0.0000126300000000, 0.0002318700000000 ] - [ -0.0023118000000000, 0.0003651200000000, 0.0020426400000000 ] - [ -0.0002943200000000, -0.0002525400000000, -0.0001797400000000 ] - [ 0.0009433200000000, -0.0004524700000000, -0.0013705900000000 ] - [ 0.0001994100000000, 0.0005639900000000, 0.0009197600000000 ] - [ -0.0002025200000000, -0.0006664900000000, -0.0006131900000000 ] - [ 0.0005637500000000, 0.0002942500000000, -0.0004247500000000 ] - [ -0.0062049400000000, 0.0003827400000000, 0.0091420900000000 ] - [ 0.0026763900000000, -0.0022189400000000, 0.0160304500000000 ] - [ -0.0010893500000000, 0.0001324900000000, -0.0007147000000000 ] - [ 0.1933654300000000, -0.1490341200000000, -0.1866866100000000 ] - [ -0.0037080400000000, -0.0003305900000000, 0.0008084900000000 ] - [ -0.0051806000000000, -0.0041678500000000, 0.0001332000000000 ] - [ -0.0006131400000000, 0.0008523300000000, -0.0029213900000000 ] - [ -0.0013183800000000, 0.0004637500000000, 0.0009593000000000 ] - [ 0.0000517100000000, -0.0000062300000000, 0.0002654900000000 ] - [ 0.0002757500000000, -0.0000021600000000, -0.0007449800000000 ] - [ 0.0003958500000000, 0.0001045500000000, -0.0003545500000000 ] - [ -0.0008086000000000, 0.0011503600000000, 0.0009189300000000 ] - [ -0.0005516400000000, -0.0025246300000000, -0.0030935000000000 ] - [ -0.0001511200000000, -0.0057461000000000, -0.0021083600000000 ] - [ 0.0006587600000000, -0.0002143500000000, -0.0000838000000000 ] - [ 0.0013271100000000, -0.0017211300000000, 0.0011652700000000 ] - [ -0.0012147800000000, 0.0006206700000000, 0.0016441000000000 ] - [ 0.0001737200000000, 0.0013005000000000, 0.0016852200000000 ] - [ 0.0006544800000000, -0.0004008100000000, 0.0005256300000000 ]- atom: 65 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ -0.0018084500000000, 0.0004825500000000, -0.0011634500000000 ] - [ 0.0014019600000000, -0.0047875200000000, -0.0024001400000000 ] - [ -0.0016306000000000, -0.0003023700000000, 0.0002169300000000 ] - [ 0.0028873800000000, -0.0035846500000000, -0.0005434600000000 ] - [ 0.0067770300000000, 0.0048945500000000, 0.0093419200000000 ] - [ 0.0003120000000000, 0.0019732000000000, 0.0095392700000000 ] - [ 0.0033295000000000, -0.0004049900000000, 0.0010380400000000 ] - [ -0.0059129500000000, 0.0048206100000000, 0.0123165300000000 ] - [ -0.0043027800000000, 0.0023367600000000, -0.0029793700000000 ] - [ 0.0920731100000000, 0.0252767200000000, -0.0519156900000000 ] - [ -0.0020344200000000, 0.0007982100000000, -0.0006670700000000 ] - [ -0.0069726400000000, -0.0171687800000000, 0.0065363700000000 ] - [ 0.0010389500000000, -0.0030763500000000, -0.0001288400000000 ] - [ 0.0006744900000000, -0.0002617300000000, 0.0004792700000000 ] - [ -0.0004551000000000, -0.0004327900000000, -0.0005610800000000 ] - [ -0.0006338400000000, -0.0006732300000000, -0.0005723400000000 ] - [ 0.0004633000000000, -0.0008397000000000, -0.0010592100000000 ] - [ -0.0008434500000000, 0.0000960800000000, 0.0011235700000000 ] - [ -0.0001842300000000, -0.0003617700000000, 0.0004380000000000 ] - [ 0.0015546500000000, 0.0002812800000000, -0.0003405600000000 ] - [ -0.0008989900000000, 0.0007667900000000, 0.0003112400000000 ] - [ 0.0010807800000000, 0.0017840700000000, -0.0008884200000000 ] - [ 0.0010352600000000, 0.0003265600000000, 0.0000225800000000 ] - [ 0.0004009900000000, -0.0003089600000000, 0.0004119100000000 ] - [ 0.0723932000000000, -0.1804958300000000, -0.1044769700000000 ] - [ -0.0010837100000000, 0.0004514800000000, -0.0002987700000000 ] - [ 0.0002895000000000, -0.0003942100000000, -0.0008715000000000 ] - [ -0.0001178700000000, 0.0005148800000000, -0.0003181500000000 ] - [ -0.0008502900000000, -0.0007864800000000, 0.0003923900000000 ] - [ -0.0000889000000000, -0.0003561600000000, 0.0000521600000000 ] - [ 0.0002110800000000, -0.0000778200000000, 0.0004533500000000 ] - [ 0.0001859800000000, -0.0002030000000000, 0.0005676900000000 ] - [ 0.0003783600000000, 0.0000319000000000, 0.0005055700000000 ] - [ -0.0003821100000000, 0.0010027200000000, 0.0002363500000000 ] - [ -0.0002678300000000, 0.0009116800000000, -0.0007035100000000 ] - [ -0.0005193800000000, 0.0010287300000000, -0.0008227800000000 ] - [ -0.0001992300000000, -0.0005690100000000, -0.0000512000000000 ] - [ 0.0027678500000000, 0.0002465300000000, -0.0174826800000000 ] - [ -0.0005084200000000, 0.0002796500000000, 0.0005587900000000 ] - [ 0.0092996600000000, -0.0077696000000000, -0.0117300100000000 ] - [ 0.0000622300000000, 0.0006375000000000, -0.0000430700000000 ] - [ 0.0004052200000000, 0.0011627500000000, -0.0000153000000000 ] - [ 0.0009247300000000, -0.0003038100000000, 0.0000244100000000 ] - [ -0.0010018100000000, 0.0015400400000000, 0.0006049000000000 ] - [ 0.0008967600000000, -0.0018100100000000, -0.0024869300000000 ] - [ -0.0022226300000000, 0.0006097100000000, -0.0028548400000000 ] - [ -0.0027295000000000, -0.0021325200000000, -0.0004270900000000 ] - [ 0.0050445500000000, -0.0000638600000000, -0.0072432300000000 ] - [ -0.0006025900000000, 0.0000625900000000, 0.0010453800000000 ] - [ 0.0012327600000000, 0.0054093500000000, 0.0006076700000000 ] - [ 0.0004267200000000, 0.0006403500000000, 0.0003140300000000 ] - [ -0.0019888200000000, 0.0022945400000000, 0.0011936700000000 ] - [ 0.0005842600000000, -0.0001531900000000, -0.0028471900000000 ] - [ -0.0006700000000000, -0.0013734400000000, -0.0002976000000000 ] - [ -0.0010482100000000, -0.0006080800000000, 0.0007841300000000 ] - [ 0.0009019700000000, -0.0009648100000000, -0.0010127400000000 ] - [ 0.0004265600000000, 0.0001318400000000, -0.0001152400000000 ] - [ -0.0008065400000000, 0.0003318800000000, 0.0010701700000000 ] - [ 0.0006413800000000, -0.0009637200000000, 0.0003465700000000 ] - [ 0.0010577900000000, 0.0002711200000000, 0.0018942600000000 ] - [ -0.0004303400000000, -0.0001693500000000, 0.0001287400000000 ] - [ 0.0063047900000000, -0.0002615300000000, -0.0093957800000000 ] - [ -0.0018808400000000, 0.0025409500000000, -0.0145372500000000 ] - [ 0.0019239900000000, 0.0002664000000000, 0.0019681700000000 ] - [ -0.1893886700000000, 0.1556210400000000, 0.1852857800000000 ] - [ 0.0025163900000000, -0.0006278000000000, 0.0002099000000000 ] - [ 0.0059145000000000, 0.0039129700000000, -0.0012225100000000 ] - [ 0.0012949900000000, -0.0011973500000000, 0.0018182700000000 ] - [ 0.0001378000000000, 0.0004913500000000, 0.0000615400000000 ] - [ -0.0012302400000000, 0.0009615700000000, 0.0007538200000000 ] - [ 0.0003964800000000, 0.0003516600000000, -0.0003447400000000 ] - [ 0.0002721600000000, 0.0002386800000000, -0.0007353300000000 ] - [ 0.0004094100000000, -0.0006401600000000, -0.0007687200000000 ] - [ 0.0002962700000000, 0.0031716700000000, 0.0031706400000000 ] - [ 0.0014734300000000, 0.0053092700000000, 0.0023646200000000 ] - [ 0.0006641300000000, -0.0002258400000000, 0.0003433500000000 ] - [ -0.0017046900000000, 0.0011980400000000, -0.0010248700000000 ] - [ 0.0008169800000000, -0.0011501800000000, -0.0015060500000000 ] - [ 0.0011561600000000, -0.0008082900000000, -0.0014122600000000 ] - [ 0.0006626300000000, 0.0008486500000000, -0.0002659800000000 ]- atom: 67 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ 0.0014149900000000, 0.0033504800000000, 0.0001745900000000 ] - [ -0.0023750200000000, 0.0000477000000000, -0.0000957900000000 ] - [ -0.0011366600000000, -0.0015609900000000, 0.0001117800000000 ] - [ -0.0001300500000000, 0.0070600000000000, 0.0034714800000000 ] - [ 0.0012641900000000, 0.0008252100000000, 0.0009347800000000 ] - [ -0.0039961000000000, -0.0046103100000000, -0.0079288600000000 ] - [ 0.0002245400000000, -0.0013706500000000, -0.0050239000000000 ] - [ 0.0046310800000000, -0.0049384000000000, -0.0044954000000000 ] - [ -0.0023968200000000, 0.0154395500000000, -0.0117332200000000 ] - [ -0.0022463000000000, 0.0002695300000000, 0.0013314900000000 ] - [ -0.0091241400000000, -0.0015559800000000, 0.0018815500000000 ] - [ 0.1123075800000000, -0.0319795800000000, 0.0401972900000000 ] - [ 0.0007603100000000, -0.0003083700000000, -0.0006147300000000 ] - [ 0.0010617500000000, 0.0013793700000000, -0.0013016600000000 ] - [ -0.0003588800000000, -0.0004003100000000, -0.0011702500000000 ] - [ -0.0008535500000000, 0.0018698200000000, -0.0000697300000000 ] - [ -0.0001521000000000, -0.0002694600000000, -0.0005638200000000 ] - [ -0.0004136400000000, -0.0002651400000000, -0.0003767300000000 ] - [ 0.0034902800000000, -0.0011721400000000, 0.0000446600000000 ] - [ -0.0014548800000000, -0.0009075800000000, 0.0006560200000000 ] - [ -0.0001329600000000, 0.0004732200000000, 0.0002341600000000 ] - [ -0.0005214600000000, -0.0000027200000000, -0.0003665200000000 ] - [ 0.0018654500000000, -0.0000856100000000, -0.0001670000000000 ] - [ -0.0002774700000000, 0.0000312300000000, -0.0002927000000000 ] - [ 0.0002185300000000, 0.0001217600000000, 0.0000527700000000 ] - [ -0.0001150200000000, 0.0010671900000000, 0.0010817900000000 ] - [ 0.0251828900000000, 0.0292411700000000, 0.0385550300000000 ] - [ -0.0002740800000000, -0.0001960300000000, 0.0004090200000000 ] - [ -0.0004598000000000, -0.0002253600000000, 0.0001660700000000 ] - [ -0.0004750400000000, -0.0002653800000000, -0.0000883900000000 ] - [ 0.0002667700000000, -0.0001025700000000, 0.0006163800000000 ] - [ -0.0000367400000000, 0.0000973600000000, -0.0000379200000000 ] - [ -0.0000661100000000, -0.0005908700000000, 0.0006770100000000 ] - [ 0.0002746600000000, -0.0005000100000000, 0.0005346800000000 ] - [ 0.0000745600000000, 0.0004554200000000, -0.0005651700000000 ] - [ -0.0006577000000000, -0.0021858700000000, 0.0010200900000000 ] - [ 0.0001400000000000, -0.0013204600000000, -0.0009966500000000 ] - [ 0.0010249700000000, 0.0034483500000000, 0.0043050500000000 ] - [ 0.0000294700000000, -0.0007928600000000, 0.0127576000000000 ] - [ -0.0003279800000000, 0.0000389200000000, -0.0006042300000000 ] - [ -0.0015060200000000, -0.0023079700000000, -0.0011605700000000 ] - [ 0.0005301200000000, 0.0003186900000000, -0.0002233700000000 ] - [ 0.0001825200000000, -0.0002600600000000, 0.0001478100000000 ] - [ 0.0009090800000000, -0.0015621200000000, -0.0002131900000000 ] - [ -0.0019710800000000, 0.0016984500000000, -0.0016859000000000 ] - [ 0.0035125900000000, 0.0012343100000000, 0.0061045300000000 ] - [ -0.0009694900000000, 0.0000829900000000, 0.0015469400000000 ] - [ 0.0010901300000000, 0.0014044500000000, 0.0011137500000000 ] - [ -0.0007304600000000, -0.0021719300000000, -0.0007087000000000 ] - [ 0.0007281800000000, 0.0000989300000000, -0.0002144900000000 ] - [ -0.0008408400000000, 0.0024303200000000, 0.0001444200000000 ] - [ 0.0018975400000000, -0.0042220100000000, -0.0009342000000000 ] - [ 0.0000075900000000, -0.0000537900000000, -0.0007364100000000 ] - [ 0.0005381900000000, 0.0006171900000000, 0.0007391800000000 ] - [ -0.0021102700000000, 0.0002783200000000, 0.0002027200000000 ] - [ 0.0000185300000000, -0.0005044100000000, 0.0019004300000000 ] - [ 0.0000010300000000, 0.0006109700000000, 0.0004918000000000 ] - [ 0.0007280200000000, -0.0006154400000000, -0.0015964000000000 ] - [ -0.0004209600000000, -0.0005589800000000, -0.0003150400000000 ] - [ 0.0009488400000000, -0.0002884900000000, 0.0009437400000000 ] - [ 0.0026994300000000, 0.0000840500000000, -0.0029756100000000 ] - [ -0.0092753600000000, 0.0006900600000000, 0.0089273700000000 ] - [ -0.0001592900000000, 0.0003415200000000, -0.0004879700000000 ] - [ 0.0051512200000000, 0.0006244700000000, 0.0082458400000000 ] - [ 0.0054295800000000, 0.0025234100000000, -0.0023347900000000 ] - [ 0.0037039300000000, -0.0044104300000000, 0.0019007900000000 ] - [ -0.1485120400000000, 0.0046360500000000, -0.0941498900000000 ] - [ 0.0045472600000000, -0.0002726300000000, 0.0003869200000000 ] - [ -0.0006169600000000, -0.0000326200000000, 0.0004224300000000 ] - [ -0.0004987700000000, 0.0004534900000000, 0.0006350400000000 ] - [ -0.0001176300000000, -0.0001371800000000, -0.0009427900000000 ] - [ 0.0008424700000000, 0.0002200700000000, -0.0000781900000000 ] - [ -0.0005026200000000, -0.0024111900000000, -0.0017691800000000 ] - [ 0.0004219900000000, 0.0008002400000000, -0.0001213900000000 ] - [ 0.0044623800000000, -0.0101753300000000, -0.0001174200000000 ] - [ 0.0023514200000000, 0.0021955600000000, 0.0009364900000000 ] - [ -0.0003156100000000, -0.0007933300000000, 0.0001572900000000 ] - [ 0.0006637000000000, -0.0008868600000000, 0.0013534600000000 ] - [ -0.0006487300000000, -0.0003463600000000, 0.0010078900000000 ] - [ 0.0015808400000000, 0.0010579200000000, 0.0007360800000000 ]- atom: 67 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ -0.0025683700000000, -0.0037203800000000, -0.0011307500000000 ] - [ 0.0012332800000000, -0.0003897600000000, -0.0008554000000000 ] - [ 0.0015023900000000, 0.0030071700000000, 0.0011388600000000 ] - [ 0.0004795600000000, -0.0055826800000000, -0.0022178700000000 ] - [ -0.0024070100000000, -0.0004787000000000, -0.0018880100000000 ] - [ 0.0028943900000000, 0.0049738300000000, 0.0070523700000000 ] - [ 0.0001093300000000, -0.0000549700000000, 0.0063799500000000 ] - [ -0.0043180500000000, 0.0035105900000000, 0.0057626500000000 ] - [ 0.0041364400000000, -0.0139839200000000, 0.0104898800000000 ] - [ 0.0039214300000000, 0.0012170500000000, -0.0025235600000000 ] - [ 0.0078729900000000, 0.0011424200000000, -0.0027325600000000 ] - [ -0.1188529100000000, 0.0331456500000000, -0.0447387500000000 ] - [ 0.0009130600000000, -0.0011739600000000, -0.0005653300000000 ] - [ 0.0006057800000000, -0.0028471400000000, 0.0001108200000000 ] - [ -0.0009085900000000, 0.0008286200000000, 0.0003207400000000 ] - [ -0.0004197600000000, -0.0014458100000000, -0.0007817300000000 ] - [ -0.0004189500000000, -0.0003176900000000, -0.0001133500000000 ] - [ -0.0001550100000000, -0.0003221800000000, -0.0003006400000000 ] - [ -0.0018386900000000, 0.0011416800000000, -0.0000999900000000 ] - [ 0.0030951400000000, 0.0008570600000000, -0.0006987100000000 ] - [ -0.0004363000000000, 0.0001095000000000, -0.0009193200000000 ] - [ -0.0000473000000000, 0.0005926700000000, -0.0003182300000000 ] - [ -0.0002287600000000, 0.0001350600000000, 0.0001215800000000 ] - [ 0.0019309600000000, 0.0000183500000000, 0.0002449800000000 ] - [ -0.0010948400000000, 0.0005831500000000, 0.0000829300000000 ] - [ -0.0007342000000000, -0.0003615800000000, -0.0009356700000000 ] - [ -0.0258764700000000, -0.0314443300000000, -0.0399240300000000 ] - [ 0.0005877100000000, 0.0003671800000000, 0.0003666200000000 ] - [ -0.0004103700000000, -0.0004831100000000, -0.0000314000000000 ] - [ -0.0003932000000000, -0.0004435100000000, 0.0002258300000000 ] - [ 0.0000445900000000, -0.0000712200000000, 0.0001605800000000 ] - [ 0.0003492400000000, -0.0002722700000000, 0.0008155400000000 ] - [ 0.0002485900000000, 0.0004157000000000, 0.0002052100000000 ] - [ -0.0000907500000000, 0.0003194500000000, 0.0003507500000000 ] - [ -0.0008287000000000, -0.0000892500000000, -0.0000988000000000 ] - [ -0.0000955200000000, 0.0025438200000000, -0.0016787500000000 ] - [ 0.0000366000000000, 0.0014810800000000, 0.0018743000000000 ] - [ -0.0009384200000000, -0.0033691000000000, -0.0035558600000000 ] - [ -0.0008167400000000, 0.0004740900000000, -0.0134486600000000 ] - [ -0.0004187700000000, -0.0004035300000000, -0.0000548400000000 ] - [ 0.0011337800000000, 0.0018932600000000, 0.0002884900000000 ] - [ -0.0009048000000000, -0.0007379300000000, -0.0006518300000000 ] - [ 0.0003483100000000, -0.0000337300000000, 0.0001722800000000 ] - [ -0.0003733200000000, 0.0012594200000000, 0.0005316300000000 ] - [ 0.0016034100000000, -0.0012849100000000, 0.0008216400000000 ] - [ -0.0039217900000000, -0.0008134100000000, -0.0070237800000000 ] - [ 0.0015042900000000, 0.0002146200000000, -0.0012399900000000 ] - [ -0.0005520500000000, -0.0011020600000000, -0.0008094100000000 ] - [ 0.0010133800000000, 0.0021334400000000, 0.0002953100000000 ] - [ -0.0004532300000000, -0.0001520500000000, -0.0002022200000000 ] - [ -0.0005503900000000, -0.0018127100000000, 0.0008711100000000 ] - [ -0.0032742700000000, 0.0048571900000000, 0.0019560000000000 ] - [ 0.0002667600000000, 0.0001038000000000, 0.0003269000000000 ] - [ -0.0002782100000000, -0.0005901000000000, -0.0011574600000000 ] - [ 0.0007388900000000, -0.0009047300000000, 0.0007971300000000 ] - [ -0.0014039800000000, -0.0001119600000000, -0.0008864700000000 ] - [ 0.0001284800000000, -0.0007364300000000, -0.0007886600000000 ] - [ -0.0005871100000000, 0.0004892200000000, 0.0012924500000000 ] - [ 0.0012678600000000, 0.0001553200000000, 0.0015804500000000 ] - [ -0.0001121500000000, -0.0001157900000000, 0.0003111800000000 ] - [ -0.0025459200000000, 0.0000438600000000, 0.0026375500000000 ] - [ 0.0095340000000000, -0.0005456700000000, -0.0093104500000000 ] - [ 0.0010058400000000, 0.0000606000000000, 0.0017577300000000 ] - [ -0.0043426600000000, -0.0002198300000000, -0.0070388300000000 ] - [ -0.0067087000000000, -0.0035474300000000, 0.0033962700000000 ] - [ -0.0047929100000000, 0.0033715500000000, -0.0008525800000000 ] - [ 0.1553434900000000, -0.0041542000000000, 0.0990619600000000 ] - [ -0.0038659800000000, -0.0000760200000000, -0.0014621600000000 ] - [ -0.0005603000000000, 0.0009876600000000, 0.0005979500000000 ] - [ -0.0006808900000000, 0.0005030700000000, 0.0003827300000000 ] - [ 0.0007875500000000, 0.0004800300000000, -0.0001464600000000 ] - [ -0.0001759000000000, 0.0001226500000000, -0.0010129600000000 ] - [ 0.0001048700000000, 0.0029524000000000, 0.0019298300000000 ] - [ -0.0008197300000000, -0.0003018800000000, 0.0002611900000000 ] - [ -0.0030935100000000, 0.0097933000000000, 0.0003891600000000 ] - [ -0.0010337500000000, -0.0026202900000000, -0.0006684900000000 ] - [ -0.0000776000000000, 0.0002834500000000, -0.0000199300000000 ] - [ -0.0010593000000000, 0.0003522200000000, -0.0012306000000000 ] - [ 0.0019857800000000, 0.0008010700000000, -0.0007598000000000 ] - [ -0.0002620400000000, -0.0006060500000000, -0.0004882100000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019494000000000, -0.0062241400000000, -0.0008329900000000 ] - [ 0.0000871600000000, -0.0026622200000000, -0.0007724200000000 ] - [ -0.0017630100000000, -0.0015894100000000, -0.0004251600000000 ] - [ 0.0052725600000000, -0.0077833700000000, -0.0003676800000000 ] - [ -0.0004861000000000, 0.0003800700000000, 0.0001936300000000 ] - [ 0.0005853800000000, 0.0031332000000000, -0.0000019500000000 ] - [ -0.0003086800000000, 0.0021434200000000, 0.0002877700000000 ] - [ -0.0017654400000000, 0.0039710900000000, 0.0037559800000000 ] - [ 0.0068409000000000, 0.0034460900000000, -0.0003235300000000 ] - [ -0.0000726900000000, 0.0010891700000000, 0.0001265800000000 ] - [ -0.0012488700000000, 0.0030740600000000, 0.0000168900000000 ] - [ -0.0173183700000000, 0.0332362800000000, -0.0018243100000000 ] - [ 0.0007902200000000, -0.0028487600000000, -0.0001886300000000 ] - [ 0.0011063100000000, -0.0064858200000000, 0.0013077400000000 ] - [ -0.0007318400000000, -0.0004582900000000, -0.0014547100000000 ] - [ -0.0003828300000000, -0.0014546800000000, -0.0015760500000000 ] - [ -0.0004330400000000, -0.0004337200000000, -0.0001280600000000 ] - [ -0.0001084500000000, -0.0004910300000000, -0.0007312300000000 ] - [ -0.0007893100000000, -0.0017686900000000, 0.0009531000000000 ] - [ 0.0016854800000000, 0.0000313200000000, -0.0006846000000000 ] - [ -0.0001152100000000, 0.0000942400000000, -0.0008253400000000 ] - [ -0.0004594300000000, 0.0003656000000000, 0.0001683100000000 ] - [ 0.0007370900000000, 0.0001654200000000, 0.0000340900000000 ] - [ 0.0011523700000000, 0.0000499600000000, 0.0001110400000000 ] - [ -0.0009928600000000, -0.0001077400000000, 0.0002620200000000 ] - [ -0.0003665100000000, 0.0000575800000000, -0.0002366100000000 ] - [ 0.0177945200000000, 0.2161719900000000, 0.1936300400000000 ] - [ 0.0002194000000000, 0.0003276600000000, 0.0002165000000000 ] - [ -0.0001722400000000, -0.0007088400000000, -0.0000102600000000 ] - [ -0.0005126400000000, -0.0006743200000000, 0.0000716500000000 ] - [ 0.0000717300000000, -0.0000945700000000, 0.0004611000000000 ] - [ 0.0003137000000000, -0.0001193900000000, 0.0007089800000000 ] - [ 0.0002319200000000, 0.0010863500000000, 0.0002965200000000 ] - [ -0.0001132900000000, 0.0009051700000000, 0.0001481000000000 ] - [ -0.0001423400000000, 0.0011949600000000, -0.0007521500000000 ] - [ -0.0005831100000000, 0.0046972900000000, -0.0034022400000000 ] - [ 0.0001305800000000, -0.0008826700000000, -0.0001204900000000 ] - [ 0.0102334800000000, 0.0037501600000000, 0.0115570000000000 ] - [ -0.0002432100000000, -0.0039866400000000, -0.0001899700000000 ] - [ -0.0003911300000000, -0.0011365700000000, -0.0005528200000000 ] - [ 0.0017248300000000, 0.0037307400000000, 0.0005770800000000 ] - [ -0.0001325700000000, 0.0003125500000000, -0.0004026000000000 ] - [ -0.0001366400000000, 0.0013829400000000, 0.0003312500000000 ] - [ -0.0004329800000000, 0.0012346000000000, 0.0002894900000000 ] - [ 0.0002660700000000, -0.0009368900000000, -0.0002327300000000 ] - [ 0.0008467900000000, -0.0019567700000000, -0.0006787100000000 ] - [ 0.0008295200000000, -0.0008995200000000, -0.0009105400000000 ] - [ -0.0011160500000000, -0.0019593100000000, 0.0004054300000000 ] - [ 0.0009423600000000, 0.0028515500000000, 0.0005980400000000 ] - [ -0.0000989900000000, 0.0006651100000000, 0.0001641800000000 ] - [ 0.0021863700000000, 0.0027193600000000, 0.0001742100000000 ] - [ -0.0037466800000000, 0.0010085900000000, 0.0000773000000000 ] - [ -0.0002427300000000, 0.0001485200000000, 0.0001609800000000 ] - [ 0.0010135600000000, 0.0012171000000000, -0.0011754200000000 ] - [ -0.0003680600000000, -0.0008399200000000, 0.0010262200000000 ] - [ -0.0005923500000000, -0.0006548300000000, -0.0003345100000000 ] - [ 0.0001151000000000, 0.0004836300000000, 0.0006571400000000 ] - [ -0.0018986400000000, 0.0009352600000000, 0.0024678800000000 ] - [ 0.0008526100000000, 0.0007310200000000, 0.0011092700000000 ] - [ 0.0004853700000000, 0.0002946100000000, 0.0007909600000000 ] - [ 0.0003434400000000, -0.0005415500000000, -0.0004851400000000 ] - [ -0.0001321600000000, -0.0016599800000000, -0.0051867200000000 ] - [ 0.0003111700000000, 0.0001605800000000, 0.0002898700000000 ] - [ -0.0054140500000000, -0.0009151100000000, -0.0075315300000000 ] - [ 0.0045161100000000, 0.0000189900000000, -0.0011608200000000 ] - [ -0.0026124500000000, -0.0004165000000000, 0.0005057300000000 ] - [ 0.0046742600000000, -0.2791332800000000, -0.1900693600000000 ] - [ 0.0002482800000000, -0.0006968900000000, -0.0002181300000000 ] - [ -0.0009036000000000, 0.0017242600000000, 0.0005280000000000 ] - [ -0.0006148000000000, 0.0009523900000000, 0.0005734400000000 ] - [ 0.0006411500000000, 0.0004588300000000, -0.0002592900000000 ] - [ 0.0002854500000000, 0.0004144200000000, -0.0005149000000000 ] - [ -0.0002203400000000, 0.0033736400000000, 0.0026279700000000 ] - [ 0.0001649200000000, 0.0013486600000000, -0.0000374800000000 ] - [ -0.0179055800000000, 0.0233699700000000, -0.0019551500000000 ] - [ 0.0006272600000000, -0.0007727900000000, 0.0001796800000000 ] - [ -0.0001082700000000, 0.0003660600000000, -0.0004011700000000 ] - [ -0.0014477900000000, 0.0028767700000000, -0.0009054500000000 ] - [ 0.0007777800000000, -0.0003107000000000, -0.0000719700000000 ] - [ 0.0004695200000000, -0.0005463400000000, 0.0000916200000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007918300000000, 0.0058626500000000, -0.0001089700000000 ] - [ -0.0012373200000000, 0.0023063800000000, -0.0001776400000000 ] - [ 0.0020852700000000, 0.0030404400000000, 0.0016649900000000 ] - [ -0.0049097300000000, 0.0093229400000000, 0.0016573300000000 ] - [ -0.0006436700000000, -0.0000545900000000, -0.0011416200000000 ] - [ -0.0017620900000000, -0.0028925100000000, -0.0010386200000000 ] - [ 0.0006305500000000, -0.0035724700000000, 0.0009525600000000 ] - [ 0.0021834900000000, -0.0054821900000000, -0.0026309800000000 ] - [ -0.0051925900000000, -0.0020459500000000, -0.0008007600000000 ] - [ 0.0017220200000000, 0.0003734600000000, -0.0012981300000000 ] - [ -0.0000699200000000, -0.0035012400000000, -0.0008617800000000 ] - [ 0.0162322200000000, -0.0339465300000000, 0.0011460100000000 ] - [ 0.0008806000000000, 0.0013618600000000, -0.0009891200000000 ] - [ 0.0005700200000000, 0.0050042300000000, -0.0024921400000000 ] - [ -0.0005411200000000, 0.0009090000000000, 0.0005782900000000 ] - [ -0.0008869500000000, 0.0019062700000000, 0.0006985400000000 ] - [ -0.0001338300000000, -0.0001515700000000, -0.0005551700000000 ] - [ -0.0004631500000000, -0.0000959300000000, 0.0000545900000000 ] - [ 0.0024513900000000, 0.0017060000000000, -0.0009964500000000 ] - [ -0.0000490000000000, -0.0000907500000000, 0.0006349300000000 ] - [ -0.0004552000000000, 0.0004940200000000, 0.0001501000000000 ] - [ -0.0001132400000000, 0.0002155400000000, -0.0008519900000000 ] - [ 0.0009160100000000, -0.0001179500000000, -0.0000842300000000 ] - [ 0.0004833100000000, 0.0000010600000000, -0.0001645100000000 ] - [ 0.0001310900000000, 0.0008167800000000, -0.0001298200000000 ] - [ -0.0005015800000000, 0.0006512200000000, 0.0003728600000000 ] - [ -0.0156898600000000, -0.2092327300000000, -0.1805700000000000 ] - [ 0.0000893100000000, -0.0001541500000000, 0.0005636900000000 ] - [ -0.0006983300000000, -0.0000001900000000, 0.0001461400000000 ] - [ -0.0003545800000000, -0.0000344200000000, 0.0000625900000000 ] - [ 0.0002406900000000, -0.0000761000000000, 0.0003185800000000 ] - [ -0.0000029200000000, -0.0000474200000000, 0.0000687200000000 ] - [ -0.0000439600000000, -0.0012720800000000, 0.0005980900000000 ] - [ 0.0002943500000000, -0.0010878000000000, 0.0007395700000000 ] - [ -0.0006046100000000, -0.0008290700000000, 0.0000866600000000 ] - [ -0.0001710500000000, -0.0043162800000000, 0.0027085300000000 ] - [ 0.0000533300000000, 0.0010636900000000, 0.0010001000000000 ] - [ -0.0101286200000000, -0.0036241400000000, -0.0108063900000000 ] - [ -0.0005317300000000, 0.0036607100000000, -0.0004900400000000 ] - [ -0.0003589700000000, 0.0007767100000000, -0.0001100600000000 ] - [ -0.0020730600000000, -0.0041056800000000, -0.0014372600000000 ] - [ -0.0002392200000000, -0.0007333000000000, -0.0004719700000000 ] - [ 0.0006746100000000, -0.0016809400000000, -0.0000130100000000 ] - [ 0.0009694200000000, -0.0015470500000000, 0.0000282700000000 ] - [ -0.0006625800000000, 0.0013838300000000, -0.0006403200000000 ] - [ -0.0012040500000000, 0.0024124400000000, -0.0001500200000000 ] - [ -0.0002996200000000, 0.0012059200000000, 0.0012374700000000 ] - [ 0.0016708400000000, 0.0022944600000000, -0.0000848500000000 ] - [ -0.0006755400000000, -0.0029068200000000, -0.0010190100000000 ] - [ 0.0003797300000000, -0.0007140900000000, -0.0005826400000000 ] - [ -0.0035515300000000, -0.0020672200000000, 0.0008362700000000 ] - [ 0.0023538600000000, -0.0004510300000000, 0.0009115000000000 ] - [ 0.0005208600000000, -0.0000946800000000, -0.0005822300000000 ] - [ -0.0007460400000000, -0.0011675000000000, 0.0007805700000000 ] - [ -0.0010186200000000, 0.0002189900000000, -0.0000066100000000 ] - [ -0.0007875300000000, 0.0000323500000000, 0.0013791200000000 ] - [ 0.0000208800000000, -0.0006059700000000, -0.0009480000000000 ] - [ 0.0019986600000000, -0.0010564400000000, -0.0027304000000000 ] - [ -0.0000156300000000, -0.0011303200000000, 0.0001423900000000 ] - [ 0.0003567300000000, -0.0006971600000000, 0.0004680700000000 ] - [ -0.0002056800000000, 0.0006638500000000, 0.0001863100000000 ] - [ 0.0002098400000000, 0.0017301300000000, 0.0050739500000000 ] - [ 0.0005280800000000, 0.0002471400000000, 0.0009652800000000 ] - [ 0.0063416800000000, 0.0013296400000000, 0.0089191600000000 ] - [ -0.0057248900000000, -0.0009640600000000, 0.0021945000000000 ] - [ 0.0014613800000000, -0.0005441700000000, 0.0005214200000000 ] - [ -0.0056216900000000, 0.2720230800000000, 0.1763679100000000 ] - [ 0.0004478300000000, 0.0003565600000000, -0.0008717300000000 ] - [ -0.0002721900000000, -0.0007678600000000, 0.0004884400000000 ] - [ -0.0005663500000000, 0.0000050300000000, 0.0004463800000000 ] - [ 0.0000269000000000, -0.0001228300000000, -0.0008310900000000 ] - [ 0.0003835500000000, -0.0000773800000000, -0.0005751900000000 ] - [ -0.0001777500000000, -0.0028635900000000, -0.0025087800000000 ] - [ -0.0005562700000000, -0.0008324100000000, 0.0001795100000000 ] - [ 0.0189682000000000, -0.0233836400000000, 0.0022296400000000 ] - [ 0.0007025300000000, 0.0003232600000000, 0.0000795200000000 ] - [ -0.0002888000000000, -0.0008712600000000, 0.0005421300000000 ] - [ 0.0010730200000000, -0.0034048500000000, 0.0010483700000000 ] - [ 0.0005278100000000, 0.0007343000000000, 0.0003490600000000 ] - [ 0.0008591800000000, 0.0009823400000000, 0.0001733700000000 ]- atom: 67 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ -0.0005762900000000, 0.0014987500000000, 0.0001598200000000 ] - [ -0.0003331900000000, 0.0003704000000000, -0.0004268700000000 ] - [ 0.0005580800000000, 0.0028527200000000, 0.0017125500000000 ] - [ 0.0012459600000000, -0.0003164200000000, -0.0001552800000000 ] - [ 0.0011285500000000, -0.0011093500000000, -0.0026881100000000 ] - [ -0.0044315200000000, -0.0012858300000000, -0.0062535500000000 ] - [ 0.0017276700000000, -0.0027132000000000, -0.0049809800000000 ] - [ 0.0030360200000000, -0.0015577900000000, -0.0044815600000000 ] - [ -0.0031866100000000, 0.0039666100000000, 0.0044184600000000 ] - [ 0.0026318200000000, 0.0001195100000000, -0.0022358900000000 ] - [ 0.0031283800000000, -0.0005889200000000, -0.0005579300000000 ] - [ -0.0182882800000000, 0.0062607400000000, 0.0130944200000000 ] - [ 0.0009397700000000, -0.0002935500000000, -0.0007343800000000 ] - [ 0.0008747300000000, -0.0011386900000000, -0.0002591900000000 ] - [ -0.0010775400000000, 0.0002392800000000, -0.0002329400000000 ] - [ -0.0003126700000000, 0.0009327500000000, -0.0008106000000000 ] - [ -0.0001927400000000, -0.0002860300000000, -0.0006260600000000 ] - [ -0.0003727100000000, -0.0002499700000000, -0.0004938800000000 ] - [ -0.0001938400000000, 0.0012496700000000, 0.0002798700000000 ] - [ 0.0013082100000000, 0.0000588600000000, -0.0002546000000000 ] - [ -0.0001180900000000, -0.0002719100000000, 0.0000942300000000 ] - [ -0.0003891300000000, 0.0001064300000000, -0.0000197000000000 ] - [ 0.0015503500000000, -0.0000038700000000, -0.0002849500000000 ] - [ 0.0001080200000000, 0.0000062000000000, -0.0002159200000000 ] - [ -0.0009445800000000, 0.0001637500000000, 0.0006072700000000 ] - [ -0.0003962900000000, 0.0002229800000000, 0.0001606500000000 ] - [ 0.0136069700000000, 0.1576914400000000, 0.1529353300000000 ] - [ 0.0002387600000000, 0.0001523300000000, 0.0004800400000000 ] - [ -0.0004232000000000, -0.0003715900000000, 0.0000562400000000 ] - [ -0.0004284500000000, -0.0003119300000000, -0.0000398200000000 ] - [ 0.0002373200000000, -0.0000480000000000, 0.0002692400000000 ] - [ 0.0000207200000000, 0.0000460700000000, 0.0003806400000000 ] - [ 0.0002120000000000, -0.0004633400000000, 0.0005455800000000 ] - [ 0.0000295100000000, -0.0003990600000000, 0.0006566700000000 ] - [ -0.0005713700000000, -0.0003841300000000, -0.0000883600000000 ] - [ -0.0003979000000000, 0.0008368500000000, -0.0008820300000000 ] - [ -0.0001647200000000, 0.0010718600000000, 0.0012286600000000 ] - [ 0.0079568600000000, 0.0042290000000000, 0.0089016100000000 ] - [ 0.0031533400000000, -0.0018105800000000, 0.0075958400000000 ] - [ -0.0007136600000000, 0.0002409800000000, 0.0003870500000000 ] - [ -0.0003518700000000, -0.0005997300000000, -0.0004817000000000 ] - [ -0.0003304300000000, -0.0005867100000000, -0.0005424000000000 ] - [ 0.0007786000000000, -0.0011224200000000, -0.0001256300000000 ] - [ 0.0002157300000000, -0.0001639500000000, 0.0001520000000000 ] - [ -0.0015343800000000, 0.0011958400000000, 0.0014807300000000 ] - [ 0.0009049700000000, -0.0004803500000000, 0.0008998200000000 ] - [ -0.0010627400000000, -0.0001697700000000, 0.0014797600000000 ] - [ 0.0007612800000000, 0.0010409100000000, 0.0015087800000000 ] - [ -0.0001957200000000, -0.0012574300000000, -0.0004944600000000 ] - [ 0.0000848900000000, -0.0003240300000000, -0.0001811400000000 ] - [ -0.0015674000000000, -0.0017231600000000, 0.0002641900000000 ] - [ -0.0013914700000000, 0.0007655400000000, 0.0007743600000000 ] - [ -0.0000024200000000, 0.0005448600000000, -0.0003194300000000 ] - [ 0.0009421100000000, 0.0010142500000000, 0.0004141500000000 ] - [ -0.0010467200000000, 0.0003931100000000, 0.0019767000000000 ] - [ -0.0007591600000000, -0.0003676100000000, 0.0016282800000000 ] - [ 0.0004341800000000, -0.0002980600000000, -0.0008470200000000 ] - [ 0.0000004000000000, -0.0001073600000000, -0.0001421300000000 ] - [ 0.0001692200000000, -0.0002309500000000, 0.0001516600000000 ] - [ 0.0003300500000000, -0.0002784200000000, 0.0003960900000000 ] - [ -0.0011090700000000, 0.0000390500000000, 0.0017935900000000 ] - [ 0.0061545600000000, -0.0027021600000000, 0.0064801200000000 ] - [ 0.0004334500000000, 0.0003696100000000, 0.0013675200000000 ] - [ 0.0034350100000000, 0.0003456600000000, 0.0047784000000000 ] - [ -0.0060634100000000, -0.0024683900000000, 0.0012367400000000 ] - [ -0.0008715400000000, 0.0004920200000000, -0.0014703700000000 ] - [ -0.0072667700000000, -0.1636188200000000, -0.1862825700000000 ] - [ -0.0009889200000000, 0.0001619500000000, -0.0011078400000000 ] - [ -0.0005176200000000, 0.0004569700000000, 0.0003873200000000 ] - [ -0.0006749900000000, 0.0004234900000000, 0.0006137300000000 ] - [ 0.0002187500000000, 0.0000793900000000, -0.0004789500000000 ] - [ 0.0004803800000000, 0.0001200500000000, -0.0005606200000000 ] - [ 0.0002270100000000, -0.0020144600000000, -0.0020357200000000 ] - [ -0.0006307800000000, -0.0002304100000000, 0.0000944300000000 ] - [ -0.0008644700000000, 0.0036189900000000, -0.0024824300000000 ] - [ 0.0000379200000000, -0.0014849100000000, -0.0002980000000000 ] - [ -0.0003244000000000, -0.0003669700000000, 0.0005679500000000 ] - [ 0.0003863300000000, 0.0002757500000000, 0.0010374800000000 ] - [ 0.0002907000000000, -0.0001267200000000, 0.0005595200000000 ] - [ 0.0010884400000000, 0.0006723400000000, 0.0005655400000000 ]- atom: 67 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ -0.0005530400000000, -0.0018333000000000, -0.0011149000000000 ] - [ -0.0008155200000000, -0.0007132600000000, -0.0005226600000000 ] - [ -0.0002180300000000, -0.0014015400000000, -0.0004653200000000 ] - [ -0.0009059800000000, 0.0018207100000000, 0.0014224100000000 ] - [ -0.0022715500000000, 0.0014655100000000, 0.0017282200000000 ] - [ 0.0032861800000000, 0.0015988500000000, 0.0052880100000000 ] - [ -0.0014153200000000, 0.0012786400000000, 0.0061968900000000 ] - [ -0.0026885900000000, 0.0000964500000000, 0.0057153500000000 ] - [ 0.0048412900000000, -0.0024435200000000, -0.0056252100000000 ] - [ -0.0009595100000000, 0.0013653600000000, 0.0010581600000000 ] - [ -0.0043875600000000, 0.0001604100000000, -0.0003098300000000 ] - [ 0.0176900100000000, -0.0068568500000000, -0.0137631400000000 ] - [ 0.0007307400000000, -0.0011849300000000, -0.0004459300000000 ] - [ 0.0007954400000000, -0.0003237800000000, -0.0009296200000000 ] - [ -0.0001958100000000, 0.0001840800000000, -0.0006261200000000 ] - [ -0.0009600200000000, -0.0004977100000000, -0.0000412300000000 ] - [ -0.0003774300000000, -0.0003007100000000, -0.0000535400000000 ] - [ -0.0001972800000000, -0.0003367600000000, -0.0001842800000000 ] - [ 0.0018528100000000, -0.0012990600000000, -0.0003316200000000 ] - [ 0.0003269600000000, -0.0001147200000000, 0.0002122500000000 ] - [ -0.0004536200000000, 0.0008614300000000, -0.0007714800000000 ] - [ -0.0001811900000000, 0.0004801200000000, -0.0006623900000000 ] - [ 0.0001052600000000, 0.0000489400000000, 0.0002346700000000 ] - [ 0.0015388500000000, 0.0000426700000000, 0.0001674900000000 ] - [ 0.0000663400000000, 0.0005351300000000, -0.0004693900000000 ] - [ -0.0004744500000000, 0.0004854600000000, -0.0000261000000000 ] - [ -0.0099011600000000, -0.1514297300000000, -0.1499098900000000 ] - [ 0.0000722400000000, 0.0000190800000000, 0.0003005700000000 ] - [ -0.0004462800000000, -0.0003362300000000, 0.0000796800000000 ] - [ -0.0004401000000000, -0.0003966100000000, 0.0001760000000000 ] - [ 0.0000750300000000, -0.0001256300000000, 0.0005085900000000 ] - [ 0.0002912000000000, -0.0002191600000000, 0.0003948800000000 ] - [ -0.0000305600000000, 0.0002826100000000, 0.0003404100000000 ] - [ 0.0001540500000000, 0.0002165900000000, 0.0002297000000000 ] - [ -0.0001786100000000, 0.0007487000000000, -0.0005745000000000 ] - [ -0.0003565200000000, -0.0004876100000000, 0.0002282100000000 ] - [ 0.0003464600000000, -0.0008909400000000, -0.0003400400000000 ] - [ -0.0078365100000000, -0.0041223300000000, -0.0080612800000000 ] - [ -0.0038377400000000, 0.0014529900000000, -0.0081958800000000 ] - [ -0.0000415900000000, -0.0006060900000000, -0.0010496800000000 ] - [ -0.0000286200000000, 0.0001686700000000, -0.0003958900000000 ] - [ -0.0000409800000000, 0.0001671100000000, -0.0003321700000000 ] - [ -0.0002457700000000, 0.0008228800000000, 0.0004451100000000 ] - [ 0.0003238200000000, -0.0001470000000000, 0.0001645200000000 ] - [ 0.0011709900000000, -0.0007780400000000, -0.0023800900000000 ] - [ -0.0012759000000000, 0.0009197900000000, -0.0017528700000000 ] - [ 0.0016000700000000, 0.0004631600000000, -0.0011565000000000 ] - [ -0.0002242600000000, -0.0007375400000000, -0.0011900200000000 ] - [ 0.0004711300000000, 0.0012026600000000, 0.0000787100000000 ] - [ 0.0001922300000000, 0.0002729000000000, -0.0002349000000000 ] - [ 0.0001886800000000, 0.0023527500000000, 0.0007567100000000 ] - [ 0.0000300600000000, -0.0001753300000000, 0.0002344800000000 ] - [ 0.0002810500000000, -0.0004959200000000, -0.0000976300000000 ] - [ -0.0006773700000000, -0.0009765400000000, -0.0008251800000000 ] - [ -0.0003334600000000, -0.0009992600000000, -0.0009348500000000 ] - [ -0.0006211600000000, -0.0002491500000000, -0.0006097800000000 ] - [ -0.0002993800000000, 0.0001762500000000, 0.0005509100000000 ] - [ 0.0001398200000000, -0.0000195600000000, -0.0001672800000000 ] - [ 0.0006692600000000, -0.0001749100000000, 0.0011048900000000 ] - [ 0.0005106100000000, -0.0001257900000000, 0.0008614100000000 ] - [ 0.0012440500000000, 0.0000858100000000, -0.0020859400000000 ] - [ -0.0061013200000000, 0.0029132100000000, -0.0068897100000000 ] - [ 0.0004065600000000, 0.0000318700000000, -0.0001118000000000 ] - [ -0.0025833000000000, 0.0000639900000000, -0.0035026900000000 ] - [ 0.0048354500000000, 0.0014618000000000, -0.0002341000000000 ] - [ -0.0002957400000000, -0.0014389600000000, 0.0024865800000000 ] - [ 0.0038775800000000, 0.1574224900000000, 0.1829254600000000 ] - [ 0.0016739500000000, -0.0005026900000000, 0.0000200700000000 ] - [ -0.0006608500000000, 0.0004964000000000, 0.0006322900000000 ] - [ -0.0005042400000000, 0.0005333400000000, 0.0004057800000000 ] - [ 0.0004476600000000, 0.0002614300000000, -0.0006119700000000 ] - [ 0.0001902700000000, 0.0002218600000000, -0.0005268100000000 ] - [ -0.0006185400000000, 0.0025021500000000, 0.0021699800000000 ] - [ 0.0002348700000000, 0.0007315300000000, 0.0000449800000000 ] - [ 0.0022673400000000, -0.0041213200000000, 0.0027212200000000 ] - [ 0.0012902000000000, 0.0010466400000000, 0.0005581900000000 ] - [ -0.0000692900000000, -0.0001450900000000, -0.0004269300000000 ] - [ -0.0007756400000000, -0.0008039100000000, -0.0009023300000000 ] - [ 0.0010242800000000, 0.0005727500000000, -0.0002960900000000 ] - [ 0.0002369800000000, -0.0002237200000000, -0.0003032600000000 ]- atom: 73 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ 0.0734486800000000, 0.0664693600000000, -0.0157185400000000 ] - [ -0.0061382800000000, 0.0029416900000000, 0.0001423900000000 ] - [ 0.0002115400000000, 0.0015320100000000, 0.0002499900000000 ] - [ -0.0019898500000000, -0.0010883400000000, 0.0006772300000000 ] - [ -0.0021926100000000, 0.0001326800000000, 0.0027511500000000 ] - [ -0.0025636800000000, 0.0012901200000000, -0.0027077900000000 ] - [ -0.0007600300000000, -0.0008365400000000, 0.0024746700000000 ] - [ 0.0005843900000000, -0.0014705500000000, 0.0005990200000000 ] - [ 0.0244823400000000, -0.0144958600000000, -0.0186195800000000 ] - [ -0.0020728800000000, 0.0003227200000000, -0.0009559500000000 ] - [ -0.0021201100000000, -0.0034061100000000, 0.0019531900000000 ] - [ -0.0006312000000000, -0.0004903500000000, -0.0006574800000000 ] - [ 0.0004100800000000, 0.0006517800000000, 0.0032395900000000 ] - [ 0.0003875200000000, -0.0027427600000000, -0.0068538300000000 ] - [ -0.0014624100000000, -0.0008054000000000, -0.0005931200000000 ] - [ -0.0004697800000000, -0.0000984100000000, -0.0007271500000000 ] - [ 0.0039754600000000, 0.0000544700000000, 0.0045096500000000 ] - [ -0.0000018500000000, -0.0005570700000000, -0.0013773100000000 ] - [ 0.0012304300000000, -0.0000117700000000, -0.0001336800000000 ] - [ 0.0004786200000000, -0.0000733900000000, 0.0000980300000000 ] - [ 0.0037186700000000, 0.0002743400000000, 0.0051632800000000 ] - [ -0.0005614200000000, 0.0002076800000000, -0.0002092900000000 ] - [ 0.0008039800000000, -0.0000146900000000, 0.0000383300000000 ] - [ 0.0009250800000000, -0.0000179400000000, -0.0000782500000000 ] - [ -0.0011881900000000, 0.0010090400000000, -0.0001732400000000 ] - [ -0.0030741000000000, -0.0028437000000000, 0.0004771400000000 ] - [ 0.0002431000000000, 0.0000828100000000, 0.0002476300000000 ] - [ 0.0000297900000000, -0.0000817000000000, 0.0002880800000000 ] - [ -0.0003615700000000, 0.0000033900000000, -0.0000911700000000 ] - [ -0.0004289200000000, -0.0003482900000000, 0.0002426000000000 ] - [ 0.0002106600000000, -0.0001206000000000, 0.0004745700000000 ] - [ 0.0001418500000000, -0.0002759000000000, 0.0003647000000000 ] - [ -0.0023421400000000, -0.0018616600000000, 0.0021513500000000 ] - [ 0.0011184400000000, -0.0008443800000000, 0.0009312900000000 ] - [ -0.0004014200000000, 0.0001078800000000, -0.0005523100000000 ] - [ 0.0000645500000000, 0.0016582200000000, -0.0008051900000000 ] - [ 0.0003227500000000, 0.0003901800000000, -0.0006820900000000 ] - [ 0.0001655300000000, -0.0002555700000000, 0.0007188400000000 ] - [ -0.0012738000000000, -0.0026223600000000, -0.0017492600000000 ] - [ -0.0002644800000000, 0.0000299600000000, -0.0001556100000000 ] - [ 0.0023516000000000, 0.0044155300000000, -0.0007486700000000 ] - [ 0.0000140900000000, -0.0009470200000000, -0.0003397500000000 ] - [ -0.0006560000000000, -0.0057551000000000, -0.0018688000000000 ] - [ 0.0017459800000000, -0.0006355600000000, -0.0001566400000000 ] - [ -0.0005521200000000, 0.0006552000000000, -0.0008391600000000 ] - [ -0.0001106300000000, 0.0005924200000000, -0.0002004800000000 ] - [ 0.0003968300000000, -0.0002125500000000, -0.0006148400000000 ] - [ 0.0002765800000000, 0.0000186000000000, 0.0005188200000000 ] - [ 0.0088144400000000, 0.0050423800000000, -0.0174747500000000 ] - [ 0.0065251400000000, -0.0011322200000000, 0.0021203600000000 ] - [ -0.0010473400000000, 0.0000857300000000, 0.0005029600000000 ] - [ -0.0002189400000000, 0.0005819500000000, 0.0004155900000000 ] - [ -0.0002378300000000, 0.0002005200000000, -0.0058075600000000 ] - [ 0.0005019200000000, -0.0003859300000000, 0.0001145400000000 ] - [ -0.0006452500000000, -0.0001834400000000, 0.0002931800000000 ] - [ -0.0007494600000000, -0.0001475400000000, 0.0006192200000000 ] - [ -0.0003672400000000, 0.0000637500000000, 0.0007046000000000 ] - [ 0.0004432400000000, 0.0000519400000000, -0.0003871900000000 ] - [ 0.0111894100000000, 0.0097931000000000, 0.0144310500000000 ] - [ 0.0029432400000000, -0.0019662100000000, -0.0012544500000000 ] - [ 0.0009559700000000, 0.0002200800000000, -0.0014858200000000 ] - [ -0.0001457700000000, 0.0001478400000000, 0.0000976000000000 ] - [ 0.0010559500000000, -0.0000944100000000, 0.0000226200000000 ] - [ 0.0003274400000000, 0.0017352200000000, 0.0037618500000000 ] - [ 0.0004770400000000, -0.0007099100000000, 0.0004303700000000 ] - [ 0.0049338000000000, 0.0198579300000000, 0.0032370700000000 ] - [ 0.0000268600000000, -0.0001903800000000, -0.0002359300000000 ] - [ 0.0009569000000000, 0.0001903700000000, -0.0006837000000000 ] - [ -0.0019646400000000, 0.0006811300000000, 0.0014575600000000 ] - [ 0.0003288700000000, 0.0002818100000000, -0.0001198000000000 ] - [ 0.0002159200000000, 0.0000804800000000, -0.0007594200000000 ] - [ 0.0011922600000000, 0.0014271200000000, 0.0006363000000000 ] - [ -0.1261750500000000, -0.0749740100000000, 0.0295952800000000 ] - [ 0.0014022500000000, 0.0003172200000000, -0.0003229900000000 ] - [ 0.0005100700000000, 0.0007733800000000, 0.0003427500000000 ] - [ 0.0007883600000000, 0.0003484100000000, 0.0003309000000000 ] - [ 0.0005406400000000, -0.0011077200000000, -0.0022577000000000 ] - [ -0.0003330400000000, -0.0019218700000000, 0.0011342400000000 ] - [ 0.0006525200000000, 0.0006358400000000, -0.0000321700000000 ] - [ 0.0009812400000000, 0.0003709100000000, -0.0001289300000000 ]- atom: 73 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ -0.0755791400000000, -0.0697227300000000, 0.0152226700000000 ] - [ 0.0050077200000000, -0.0033043400000000, -0.0010971600000000 ] - [ 0.0001167800000000, -0.0000534800000000, 0.0009832300000000 ] - [ 0.0023487700000000, 0.0025725300000000, 0.0005711300000000 ] - [ 0.0010436800000000, 0.0001894600000000, -0.0036957400000000 ] - [ 0.0014528300000000, -0.0009570300000000, 0.0017930500000000 ] - [ 0.0010665200000000, -0.0005782200000000, -0.0011556400000000 ] - [ -0.0002323000000000, 0.0000302600000000, 0.0006428900000000 ] - [ -0.0224545700000000, 0.0160855500000000, 0.0174871200000000 ] - [ 0.0037360300000000, 0.0011413900000000, -0.0002274900000000 ] - [ 0.0008412100000000, 0.0029734700000000, -0.0027898500000000 ] - [ -0.0006554800000000, 0.0000764800000000, -0.0002047600000000 ] - [ 0.0012619000000000, -0.0021472500000000, -0.0044199900000000 ] - [ 0.0012912600000000, 0.0012711500000000, 0.0057243200000000 ] - [ 0.0001956100000000, 0.0012661100000000, -0.0002755400000000 ] - [ -0.0008016000000000, 0.0005486600000000, -0.0001353200000000 ] - [ -0.0046007900000000, -0.0006473500000000, -0.0052025100000000 ] - [ -0.0005629800000000, -0.0000327100000000, 0.0007031300000000 ] - [ 0.0004198500000000, -0.0000343900000000, 0.0000837900000000 ] - [ 0.0011701100000000, 0.0000250500000000, -0.0001464100000000 ] - [ -0.0042347700000000, 0.0003288000000000, -0.0058422100000000 ] - [ -0.0000087500000000, 0.0003781900000000, -0.0004673500000000 ] - [ 0.0008365300000000, 0.0000633400000000, -0.0000840000000000 ] - [ 0.0007283700000000, 0.0000701900000000, 0.0000299500000000 ] - [ 0.0003206200000000, -0.0003106300000000, 0.0003082900000000 ] - [ 0.0022435900000000, 0.0035414500000000, -0.0003863800000000 ] - [ 0.0000663300000000, 0.0000965500000000, 0.0005219200000000 ] - [ 0.0002812600000000, 0.0002551800000000, 0.0004886000000000 ] - [ -0.0005068200000000, -0.0007167600000000, 0.0002264200000000 ] - [ -0.0004409900000000, -0.0003631600000000, -0.0001084500000000 ] - [ 0.0000999700000000, -0.0000505000000000, 0.0003045100000000 ] - [ 0.0001723400000000, 0.0001065200000000, 0.0004167700000000 ] - [ 0.0025549200000000, 0.0016790000000000, -0.0012178800000000 ] - [ -0.0009389500000000, 0.0006585300000000, -0.0000425500000000 ] - [ -0.0003433300000000, 0.0002570400000000, -0.0001194300000000 ] - [ -0.0008244700000000, -0.0013094600000000, 0.0001401000000000 ] - [ -0.0001393300000000, -0.0002076100000000, 0.0015593900000000 ] - [ 0.0000177200000000, 0.0004390600000000, 0.0001669900000000 ] - [ 0.0004932200000000, 0.0021524800000000, 0.0010145000000000 ] - [ -0.0004870600000000, -0.0003947900000000, -0.0005043900000000 ] - [ -0.0027264000000000, -0.0048413100000000, -0.0001264300000000 ] - [ -0.0003877800000000, 0.0005241500000000, -0.0005323200000000 ] - [ 0.0012605800000000, 0.0053696200000000, 0.0021490400000000 ] - [ -0.0012185500000000, 0.0003356500000000, 0.0004776100000000 ] - [ 0.0001822900000000, -0.0002374000000000, -0.0000364100000000 ] - [ -0.0002708200000000, -0.0001678100000000, -0.0006878700000000 ] - [ 0.0001638700000000, 0.0005112300000000, 0.0008979900000000 ] - [ 0.0002489700000000, 0.0002774400000000, -0.0001997700000000 ] - [ -0.0089089500000000, -0.0051917100000000, 0.0174857300000000 ] - [ -0.0061627200000000, 0.0010738100000000, -0.0024803500000000 ] - [ -0.0003364000000000, 0.0005203100000000, 0.0005155100000000 ] - [ -0.0011637400000000, 0.0000311600000000, 0.0006035500000000 ] - [ 0.0004869300000000, -0.0001637900000000, 0.0054143700000000 ] - [ -0.0002265400000000, 0.0004436400000000, -0.0005393100000000 ] - [ -0.0007234800000000, -0.0004456800000000, 0.0007229400000000 ] - [ -0.0006370800000000, -0.0004760700000000, 0.0004021000000000 ] - [ 0.0004982300000000, -0.0001937500000000, -0.0009921100000000 ] - [ -0.0003111000000000, -0.0001799200000000, 0.0000917000000000 ] - [ -0.0106218700000000, -0.0103458900000000, -0.0134786700000000 ] - [ -0.0020732400000000, 0.0015507000000000, 0.0024978900000000 ] - [ -0.0008154200000000, -0.0000999100000000, 0.0011763600000000 ] - [ 0.0002771200000000, -0.0000279100000000, -0.0003890200000000 ] - [ -0.0002164900000000, 0.0005042300000000, 0.0012390300000000 ] - [ 0.0004679800000000, -0.0013280200000000, -0.0025318600000000 ] - [ -0.0016412700000000, -0.0002424100000000, 0.0005895800000000 ] - [ -0.0060089700000000, -0.0204833900000000, -0.0021763800000000 ] - [ 0.0006539700000000, -0.0001701000000000, -0.0008270900000000 ] - [ -0.0002835400000000, -0.0005299100000000, -0.0004087200000000 ] - [ 0.0007947500000000, 0.0002747200000000, -0.0004493200000000 ] - [ -0.0015110800000000, 0.0006758000000000, 0.0011392400000000 ] - [ 0.0004523100000000, 0.0002570800000000, -0.0003298300000000 ] - [ -0.0005307700000000, -0.0011018500000000, -0.0017336200000000 ] - [ 0.1267915500000000, 0.0784344600000000, -0.0301324300000000 ] - [ -0.0017976000000000, 0.0002044400000000, 0.0004616800000000 ] - [ 0.0008120800000000, -0.0012366000000000, -0.0000852000000000 ] - [ 0.0005325200000000, -0.0008006900000000, -0.0000722100000000 ] - [ -0.0009389200000000, 0.0006189300000000, 0.0024152400000000 ] - [ -0.0000721900000000, 0.0014372600000000, -0.0010090300000000 ] - [ 0.0006691200000000, -0.0002005400000000, 0.0002930400000000 ] - [ 0.0003368200000000, 0.0000439900000000, 0.0003796200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0512330300000000, 0.0979775900000000, -0.0130484600000000 ] - [ 0.0018197700000000, 0.0038688900000000, 0.0008805800000000 ] - [ 0.0124534200000000, -0.0141633900000000, 0.0033114800000000 ] - [ -0.0023261700000000, -0.0049650900000000, -0.0002153700000000 ] - [ 0.0006273200000000, 0.0054164200000000, -0.0003763400000000 ] - [ -0.0064781100000000, 0.0033791900000000, -0.0071912500000000 ] - [ 0.0041819100000000, -0.0100835200000000, -0.0095350900000000 ] - [ -0.0008083300000000, -0.0046122500000000, 0.0012177400000000 ] - [ -0.0143224800000000, 0.0103858600000000, -0.0048281300000000 ] - [ 0.0003899800000000, 0.0046493200000000, -0.0002281400000000 ] - [ -0.0025341300000000, -0.0088586300000000, 0.0019366400000000 ] - [ 0.0015894800000000, -0.0047448000000000, 0.0001593100000000 ] - [ 0.0022247600000000, 0.0056347500000000, -0.0059780800000000 ] - [ 0.0000318700000000, -0.0000497300000000, -0.0090901600000000 ] - [ -0.0012902400000000, -0.0162546600000000, 0.0057920700000000 ] - [ -0.0004679800000000, -0.0032242800000000, 0.0003420700000000 ] - [ 0.0007784300000000, -0.0009261800000000, 0.0031563000000000 ] - [ -0.0001765700000000, 0.0002472500000000, 0.0001734100000000 ] - [ -0.0005186200000000, -0.0008096600000000, 0.0003052000000000 ] - [ 0.0006827400000000, -0.0002969600000000, 0.0000201500000000 ] - [ -0.0004197800000000, 0.0059661100000000, 0.0080421300000000 ] - [ -0.0003155900000000, 0.0003700000000000, -0.0008968800000000 ] - [ 0.0017436300000000, 0.0000608600000000, -0.0003777800000000 ] - [ 0.0007434900000000, -0.0008034400000000, -0.0004095000000000 ] - [ 0.0001099500000000, 0.0015576300000000, 0.0002309800000000 ] - [ -0.0042629400000000, 0.0004210400000000, 0.0008388400000000 ] - [ 0.0005141000000000, -0.0013129500000000, 0.0016927500000000 ] - [ 0.0000862100000000, -0.0004996400000000, 0.0004267100000000 ] - [ -0.0005567900000000, 0.0005273700000000, 0.0000191300000000 ] - [ -0.0007183500000000, 0.0007620800000000, 0.0007384900000000 ] - [ 0.0000611700000000, -0.0005623200000000, -0.0000861500000000 ] - [ -0.0002321900000000, -0.0010448400000000, 0.0003802400000000 ] - [ 0.0033484100000000, 0.0152159800000000, -0.0089995300000000 ] - [ 0.0002768800000000, -0.0002664500000000, 0.0000995900000000 ] - [ -0.0020600700000000, 0.0001774200000000, 0.0013571300000000 ] - [ 0.0006019000000000, 0.0014042900000000, -0.0005386400000000 ] - [ 0.0000592000000000, 0.0003734300000000, 0.0004334500000000 ] - [ -0.0002757500000000, -0.0003152400000000, 0.0003462100000000 ] - [ 0.0028410100000000, 0.0202502700000000, 0.0139476100000000 ] - [ -0.0005075500000000, 0.0000610600000000, -0.0005897000000000 ] - [ 0.0056089500000000, 0.0068338600000000, -0.0008717800000000 ] - [ -0.0023999600000000, -0.0001438400000000, -0.0012205800000000 ] - [ -0.0060493000000000, 0.0216229900000000, 0.0025346000000000 ] - [ 0.0011457900000000, -0.0003862400000000, 0.0000125400000000 ] - [ -0.0013889900000000, 0.0011066200000000, -0.0006963600000000 ] - [ 0.0006461300000000, 0.0007858300000000, 0.0017582400000000 ] - [ -0.0040177800000000, 0.0003604200000000, 0.0055320700000000 ] - [ 0.0016838200000000, 0.0006995900000000, 0.0005324900000000 ] - [ 0.0041903500000000, -0.0021353300000000, -0.0069412000000000 ] - [ -0.0012910900000000, -0.0025159200000000, -0.0012545200000000 ] - [ -0.0008466700000000, 0.0049480200000000, 0.0012654600000000 ] - [ -0.0004906000000000, 0.0015695100000000, 0.0005933000000000 ] - [ 0.0015869700000000, -0.0030338900000000, -0.0069435700000000 ] - [ 0.0002800900000000, -0.0016715400000000, 0.0019132900000000 ] - [ -0.0023314000000000, 0.0027080300000000, 0.0007719600000000 ] - [ -0.0004312300000000, 0.0009707400000000, 0.0005778300000000 ] - [ -0.0003206200000000, 0.0028147500000000, -0.0010350400000000 ] - [ 0.0004289200000000, 0.0009203300000000, -0.0003626600000000 ] - [ 0.0116109500000000, 0.0035592800000000, 0.0121606100000000 ] - [ -0.0012337000000000, -0.0013917600000000, 0.0008322800000000 ] - [ 0.0008237300000000, 0.0012536200000000, -0.0006930900000000 ] - [ 0.0002945200000000, 0.0010635100000000, -0.0007960200000000 ] - [ 0.0005254100000000, -0.0008588100000000, 0.0001783000000000 ] - [ 0.0079468700000000, -0.0024209600000000, 0.0108485200000000 ] - [ -0.0028672700000000, -0.0010978400000000, 0.0002089600000000 ] - [ 0.0102372700000000, 0.0244879500000000, 0.0034919800000000 ] - [ -0.0023170500000000, 0.0029286900000000, -0.0047093200000000 ] - [ 0.0008948900000000, 0.0009174000000000, -0.0007774400000000 ] - [ -0.0014605300000000, -0.0000846800000000, 0.0016884500000000 ] - [ 0.0002185300000000, -0.0004417200000000, -0.0000329100000000 ] - [ 0.0008701000000000, 0.0007907600000000, -0.0001016600000000 ] - [ 0.0009620800000000, 0.0033045500000000, -0.0007929500000000 ] - [ -0.0745114500000000, -0.1795698100000000, -0.0043632700000000 ] - [ -0.0001382500000000, -0.0025797800000000, -0.0004417700000000 ] - [ 0.0006791300000000, 0.0038939200000000, 0.0007046700000000 ] - [ -0.0001710700000000, 0.0038808900000000, 0.0011121200000000 ] - [ 0.0006594200000000, -0.0050245100000000, -0.0001068200000000 ] - [ 0.0014767000000000, -0.0057356400000000, 0.0021817500000000 ] - [ 0.0006013800000000, 0.0025857500000000, -0.0002155800000000 ] - [ 0.0007679600000000, 0.0101724400000000, -0.0000019300000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0570742700000000, -0.1043416600000000, 0.0132161200000000 ] - [ -0.0029490500000000, -0.0042969600000000, -0.0018426100000000 ] - [ -0.0122299400000000, 0.0157247900000000, -0.0021090500000000 ] - [ 0.0026830200000000, 0.0064303200000000, 0.0014734900000000 ] - [ -0.0017069700000000, -0.0049958400000000, -0.0006091900000000 ] - [ 0.0053481500000000, -0.0030298900000000, 0.0062594400000000 ] - [ -0.0038741400000000, 0.0086694400000000, 0.0108276900000000 ] - [ 0.0011480900000000, 0.0031812600000000, 0.0000221800000000 ] - [ 0.0154775500000000, -0.0074632600000000, 0.0047028700000000 ] - [ 0.0012682900000000, -0.0031380500000000, -0.0009581000000000 ] - [ 0.0012365600000000, 0.0084464300000000, -0.0027538700000000 ] - [ -0.0028806900000000, 0.0043412200000000, -0.0010264400000000 ] - [ -0.0005611600000000, -0.0072225500000000, 0.0048190100000000 ] - [ 0.0016513500000000, -0.0014242600000000, 0.0079246200000000 ] - [ 0.0000439700000000, 0.0167786100000000, -0.0067018800000000 ] - [ -0.0008066800000000, 0.0036510800000000, -0.0012065400000000 ] - [ -0.0013316200000000, 0.0003661400000000, -0.0038123900000000 ] - [ -0.0003962700000000, -0.0008340600000000, -0.0008480100000000 ] - [ 0.0021803300000000, 0.0007649900000000, -0.0003565900000000 ] - [ 0.0009621500000000, 0.0002484700000000, -0.0000683300000000 ] - [ -0.0001233500000000, -0.0052282500000000, -0.0089131800000000 ] - [ -0.0002537600000000, 0.0002164700000000, 0.0002142000000000 ] - [ -0.0000960700000000, -0.0000117400000000, 0.0003292000000000 ] - [ 0.0009046900000000, 0.0008545900000000, 0.0003598500000000 ] - [ -0.0009847500000000, -0.0008476600000000, -0.0000979700000000 ] - [ 0.0034292400000000, 0.0003371900000000, -0.0006928600000000 ] - [ -0.0002019000000000, 0.0014925900000000, -0.0009168900000000 ] - [ 0.0002239700000000, 0.0006738000000000, 0.0003493400000000 ] - [ -0.0003135400000000, -0.0012409800000000, 0.0001155900000000 ] - [ -0.0001459700000000, -0.0014786600000000, -0.0006089900000000 ] - [ 0.0002520400000000, 0.0003904900000000, 0.0008686300000000 ] - [ 0.0005499100000000, 0.0008755600000000, 0.0003979700000000 ] - [ -0.0032165300000000, -0.0156262300000000, 0.0101120000000000 ] - [ -0.0000950200000000, 0.0001064900000000, 0.0007843600000000 ] - [ 0.0013436100000000, 0.0002035400000000, -0.0020599400000000 ] - [ -0.0013587800000000, -0.0010256800000000, -0.0001351400000000 ] - [ 0.0001172700000000, -0.0002215400000000, 0.0004401300000000 ] - [ 0.0004661800000000, 0.0004890600000000, 0.0005430300000000 ] - [ -0.0035485900000000, -0.0205548500000000, -0.0146509700000000 ] - [ -0.0002419600000000, -0.0004373900000000, -0.0000784200000000 ] - [ -0.0059844100000000, -0.0072470500000000, 0.0000022300000000 ] - [ 0.0020601900000000, -0.0002527800000000, 0.0003569800000000 ] - [ 0.0067541600000000, -0.0224916400000000, -0.0023908700000000 ] - [ -0.0006207900000000, 0.0001010100000000, 0.0003050500000000 ] - [ 0.0010180100000000, -0.0007065900000000, -0.0001762700000000 ] - [ -0.0010111400000000, -0.0003845500000000, -0.0026409500000000 ] - [ 0.0045398700000000, -0.0000652700000000, -0.0052059500000000 ] - [ -0.0011477900000000, -0.0004025100000000, -0.0002147600000000 ] - [ -0.0039052700000000, 0.0022227200000000, 0.0065082300000000 ] - [ 0.0015137300000000, 0.0024919000000000, 0.0008252900000000 ] - [ -0.0005437200000000, -0.0043783600000000, -0.0002618100000000 ] - [ -0.0008869200000000, -0.0009527600000000, 0.0004259300000000 ] - [ -0.0013686900000000, 0.0030079400000000, 0.0066983900000000 ] - [ -0.0000070700000000, 0.0017201400000000, -0.0023283800000000 ] - [ 0.0009481200000000, -0.0033298700000000, 0.0002433900000000 ] - [ -0.0009473400000000, -0.0015933500000000, 0.0004438400000000 ] - [ 0.0004469500000000, -0.0029592700000000, 0.0007674700000000 ] - [ -0.0003006300000000, -0.0010454500000000, 0.0000719200000000 ] - [ -0.0108963300000000, -0.0038808200000000, -0.0110209200000000 ] - [ 0.0020562700000000, 0.0010213000000000, 0.0004402300000000 ] - [ -0.0006843100000000, -0.0011343200000000, 0.0003909000000000 ] - [ -0.0001632500000000, -0.0009446000000000, 0.0005062500000000 ] - [ 0.0003196800000000, 0.0012503600000000, 0.0011025300000000 ] - [ -0.0070943700000000, 0.0027902600000000, -0.0096133200000000 ] - [ 0.0016941600000000, 0.0001363700000000, 0.0008116500000000 ] - [ -0.0110316200000000, -0.0248214700000000, -0.0023914400000000 ] - [ 0.0030097400000000, -0.0033076600000000, 0.0036582300000000 ] - [ -0.0002094000000000, -0.0012631900000000, -0.0003101900000000 ] - [ 0.0002834200000000, 0.0010463300000000, -0.0006723800000000 ] - [ -0.0014074100000000, 0.0014116500000000, 0.0010654800000000 ] - [ -0.0002025600000000, -0.0004464500000000, -0.0009888600000000 ] - [ -0.0002793300000000, -0.0029765300000000, -0.0002696300000000 ] - [ 0.0789190000000000, 0.1843109900000000, 0.0023292300000000 ] - [ -0.0002556000000000, 0.0030923800000000, 0.0005880300000000 ] - [ 0.0006402400000000, -0.0043579900000000, -0.0004492600000000 ] - [ 0.0015002100000000, -0.0043353200000000, -0.0008533700000000 ] - [ -0.0010689200000000, 0.0045341900000000, 0.0002428300000000 ] - [ -0.0018641900000000, 0.0052148100000000, -0.0020484500000000 ] - [ 0.0007180000000000, -0.0021496000000000, 0.0004752600000000 ] - [ 0.0005639200000000, -0.0097479400000000, 0.0002651400000000 ]- atom: 73 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ -0.0557282200000000, -0.0529544200000000, 0.0360001500000000 ] - [ 0.0030997500000000, -0.0006532700000000, 0.0018253600000000 ] - [ 0.0027950300000000, -0.0037561100000000, 0.0037557700000000 ] - [ 0.0014346500000000, 0.0002386900000000, 0.0020427300000000 ] - [ 0.0075144400000000, 0.0078306700000000, -0.0088056800000000 ] - [ -0.0044516300000000, 0.0013208400000000, -0.0036044500000000 ] - [ 0.0044770000000000, -0.0019521600000000, -0.0052649400000000 ] - [ -0.0016760300000000, -0.0001283100000000, -0.0001365900000000 ] - [ -0.0240197200000000, 0.0108011100000000, 0.0224323000000000 ] - [ 0.0025519000000000, 0.0017954200000000, -0.0012782100000000 ] - [ 0.0002420200000000, 0.0021119600000000, -0.0011894800000000 ] - [ 0.0004657700000000, -0.0003639300000000, 0.0006572900000000 ] - [ 0.0043518400000000, -0.0035786000000000, -0.0053669500000000 ] - [ 0.0001511600000000, -0.0016427700000000, -0.0029254600000000 ] - [ -0.0011923900000000, 0.0040334200000000, -0.0013280200000000 ] - [ -0.0005748400000000, -0.0004719500000000, -0.0008678700000000 ] - [ -0.0038889100000000, -0.0010181000000000, -0.0057600600000000 ] - [ -0.0009461900000000, -0.0001743100000000, -0.0002113300000000 ] - [ 0.0001288400000000, -0.0002883500000000, 0.0002655000000000 ] - [ 0.0010345600000000, -0.0000495200000000, -0.0000990600000000 ] - [ 0.0000745100000000, 0.0055044000000000, -0.0167638900000000 ] - [ -0.0000952200000000, 0.0002586400000000, -0.0005179900000000 ] - [ 0.0014124100000000, 0.0000387700000000, -0.0003265500000000 ] - [ 0.0001450300000000, -0.0001742200000000, 0.0001071200000000 ] - [ 0.0000830400000000, 0.0001670200000000, 0.0008356900000000 ] - [ 0.0020810800000000, 0.0034276600000000, 0.0010240900000000 ] - [ 0.0002730000000000, -0.0003819800000000, 0.0010123200000000 ] - [ 0.0002114400000000, 0.0001349500000000, 0.0004894600000000 ] - [ -0.0008301900000000, -0.0006356100000000, -0.0003595400000000 ] - [ -0.0003690100000000, -0.0002246100000000, -0.0006190800000000 ] - [ 0.0001751100000000, -0.0002266100000000, 0.0001250100000000 ] - [ 0.0000858300000000, -0.0001644100000000, 0.0001694400000000 ] - [ -0.0001207500000000, -0.0089178300000000, 0.0026773100000000 ] - [ -0.0005649000000000, -0.0001089200000000, 0.0003211800000000 ] - [ -0.0009097000000000, 0.0008254400000000, -0.0001227400000000 ] - [ -0.0000689200000000, 0.0009194100000000, -0.0006545300000000 ] - [ -0.0011035700000000, -0.0019494800000000, 0.0008662200000000 ] - [ 0.0006713300000000, -0.0005500500000000, 0.0004182500000000 ] - [ 0.0014492200000000, 0.0083949400000000, 0.0065275900000000 ] - [ -0.0003999100000000, -0.0003815100000000, -0.0003481200000000 ] - [ -0.0025414100000000, -0.0035985600000000, -0.0017189700000000 ] - [ -0.0005978500000000, 0.0002056400000000, -0.0011364300000000 ] - [ -0.0023551500000000, 0.0126872100000000, -0.0002960800000000 ] - [ -0.0003955500000000, 0.0005691700000000, -0.0001310000000000 ] - [ 0.0004515700000000, -0.0017018000000000, 0.0005068300000000 ] - [ 0.0001896000000000, 0.0001344300000000, 0.0009912100000000 ] - [ -0.0017796500000000, -0.0001923700000000, 0.0027803500000000 ] - [ 0.0012274100000000, 0.0003519900000000, 0.0002596200000000 ] - [ -0.0146823500000000, -0.0053368500000000, 0.0133534100000000 ] - [ -0.0005803200000000, -0.0000281200000000, -0.0015903800000000 ] - [ -0.0003392100000000, 0.0018710800000000, 0.0005564400000000 ] - [ -0.0008853200000000, 0.0005722700000000, 0.0006129300000000 ] - [ -0.0059722200000000, -0.0049733600000000, 0.0230207200000000 ] - [ 0.0001150700000000, -0.0003814300000000, 0.0006899700000000 ] - [ -0.0017488600000000, -0.0001033300000000, 0.0010115100000000 ] - [ -0.0000749700000000, -0.0002131700000000, 0.0004017800000000 ] - [ 0.0010625900000000, -0.0000780400000000, -0.0023956500000000 ] - [ -0.0004773600000000, 0.0000291000000000, 0.0002347100000000 ] - [ 0.0085845400000000, 0.0020162700000000, 0.0020792100000000 ] - [ -0.0027604000000000, 0.0012998100000000, 0.0012229900000000 ] - [ -0.0009305800000000, -0.0001176800000000, 0.0014265000000000 ] - [ 0.0005759800000000, 0.0000986500000000, -0.0007300800000000 ] - [ 0.0003452300000000, -0.0002799100000000, 0.0041168500000000 ] - [ 0.0034540000000000, 0.0014284400000000, 0.0047878200000000 ] - [ -0.0026161800000000, -0.0003644500000000, 0.0005150100000000 ] - [ -0.0031168100000000, -0.0116294700000000, -0.0038392300000000 ] - [ -0.0010922100000000, 0.0020546400000000, -0.0037313300000000 ] - [ -0.0001430200000000, -0.0004438900000000, -0.0005482800000000 ] - [ -0.0003452700000000, 0.0007300300000000, 0.0008653400000000 ] - [ -0.0019761800000000, 0.0008856700000000, 0.0018617800000000 ] - [ 0.0004675200000000, 0.0006219300000000, 0.0001062200000000 ] - [ 0.0010120700000000, 0.0003775300000000, 0.0004867900000000 ] - [ 0.0904442400000000, 0.0364335600000000, -0.0756482500000000 ] - [ -0.0013462900000000, -0.0002204600000000, -0.0003434900000000 ] - [ 0.0005883100000000, 0.0000262200000000, -0.0002384100000000 ] - [ 0.0003886200000000, -0.0000074500000000, -0.0001293100000000 ] - [ -0.0025873900000000, 0.0003283500000000, 0.0035665700000000 ] - [ 0.0007882800000000, -0.0012394300000000, 0.0004751700000000 ] - [ 0.0006111400000000, 0.0001314500000000, 0.0004173000000000 ] - [ 0.0010695300000000, 0.0010000200000000, 0.0011276100000000 ]- atom: 73 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ 0.0540937000000000, 0.0513721500000000, -0.0373278200000000 ] - [ -0.0042339300000000, 0.0003077900000000, -0.0027916100000000 ] - [ -0.0024226600000000, 0.0051706700000000, -0.0025100000000000 ] - [ -0.0010931200000000, 0.0012133000000000, -0.0007756400000000 ] - [ -0.0087279700000000, -0.0075607700000000, 0.0078927100000000 ] - [ 0.0033163400000000, -0.0009533300000000, 0.0026643200000000 ] - [ -0.0041588700000000, 0.0005068000000000, 0.0065528100000000 ] - [ 0.0020394500000000, -0.0013339000000000, 0.0013894700000000 ] - [ 0.0256387800000000, -0.0084995500000000, -0.0233094100000000 ] - [ -0.0008747400000000, -0.0003219500000000, 0.0001134900000000 ] - [ -0.0015167700000000, -0.0025653000000000, 0.0003345000000000 ] - [ -0.0017419700000000, -0.0000654200000000, -0.0015174200000000 ] - [ -0.0026987800000000, 0.0021486100000000, 0.0041791600000000 ] - [ 0.0015230600000000, 0.0001401700000000, 0.0017004900000000 ] - [ -0.0000824700000000, -0.0035991900000000, 0.0004614400000000 ] - [ -0.0006900400000000, 0.0008997200000000, 0.0000071600000000 ] - [ 0.0032788000000000, 0.0004146000000000, 0.0050838400000000 ] - [ 0.0003819500000000, -0.0004129900000000, -0.0004684300000000 ] - [ 0.0015197200000000, 0.0002388000000000, -0.0003138000000000 ] - [ 0.0006116000000000, 0.0000006300000000, 0.0000520500000000 ] - [ -0.0006730500000000, -0.0049267400000000, 0.0162501900000000 ] - [ -0.0004779200000000, 0.0003277300000000, -0.0001589500000000 ] - [ 0.0002310200000000, 0.0000094800000000, 0.0002805200000000 ] - [ 0.0015078300000000, 0.0002234000000000, -0.0001561600000000 ] - [ -0.0009556400000000, 0.0005406700000000, -0.0006960100000000 ] - [ -0.0029789800000000, -0.0027636000000000, -0.0008783400000000 ] - [ 0.0000369200000000, 0.0005560000000000, -0.0002368900000000 ] - [ 0.0000996700000000, 0.0000362900000000, 0.0002887200000000 ] - [ -0.0000333000000000, -0.0000673000000000, 0.0004966600000000 ] - [ -0.0005061500000000, -0.0004818700000000, 0.0007533800000000 ] - [ 0.0001354700000000, 0.0000536500000000, 0.0006529000000000 ] - [ 0.0002277600000000, -0.0000088500000000, 0.0006108900000000 ] - [ 0.0003206600000000, 0.0086635400000000, -0.0017494200000000 ] - [ 0.0007414500000000, -0.0000725200000000, 0.0005643500000000 ] - [ 0.0001574500000000, -0.0004659900000000, -0.0005359800000000 ] - [ -0.0006798300000000, -0.0005403600000000, -0.0000185300000000 ] - [ 0.0012972500000000, 0.0021497600000000, 0.0000234700000000 ] - [ -0.0004897400000000, 0.0007267800000000, 0.0004681700000000 ] - [ -0.0021958400000000, -0.0087534900000000, -0.0071961300000000 ] - [ -0.0003533900000000, 0.0000192000000000, -0.0003146500000000 ] - [ 0.0021755500000000, 0.0031851700000000, 0.0008356100000000 ] - [ 0.0002210000000000, -0.0006249200000000, 0.0002636500000000 ] - [ 0.0029187700000000, -0.0130357100000000, 0.0006064300000000 ] - [ 0.0009367800000000, -0.0008719200000000, 0.0004473800000000 ] - [ -0.0008342700000000, 0.0021490200000000, -0.0013853600000000 ] - [ -0.0005675500000000, 0.0002907300000000, -0.0018707700000000 ] - [ 0.0023309500000000, 0.0004941300000000, -0.0024823300000000 ] - [ -0.0007026000000000, -0.0000578600000000, 0.0000620200000000 ] - [ 0.0144114900000000, 0.0051913500000000, -0.0135421700000000 ] - [ 0.0008257100000000, -0.0000226300000000, 0.0011809100000000 ] - [ -0.0010475000000000, -0.0012551800000000, 0.0004609400000000 ] - [ -0.0004929000000000, 0.0000474900000000, 0.0004056300000000 ] - [ 0.0063166500000000, 0.0050901300000000, -0.0239328600000000 ] - [ 0.0001656300000000, 0.0004294200000000, -0.0011071300000000 ] - [ 0.0003754300000000, -0.0005165200000000, 0.0000059500000000 ] - [ -0.0013113100000000, -0.0004052600000000, 0.0006198700000000 ] - [ -0.0009334600000000, -0.0000490200000000, 0.0021097900000000 ] - [ 0.0006096800000000, -0.0001530700000000, -0.0005303100000000 ] - [ -0.0076815200000000, -0.0023264100000000, -0.0007312300000000 ] - [ 0.0036391100000000, -0.0017218600000000, 0.0000333000000000 ] - [ 0.0010700700000000, 0.0002440200000000, -0.0017317400000000 ] - [ -0.0004472200000000, 0.0000256300000000, 0.0004382800000000 ] - [ 0.0004805000000000, 0.0006940000000000, -0.0029040100000000 ] - [ -0.0026264000000000, -0.0009858400000000, -0.0035115900000000 ] - [ 0.0014461300000000, -0.0005879000000000, 0.0004982100000000 ] - [ 0.0019800500000000, 0.0107620500000000, 0.0049220600000000 ] - [ 0.0017611200000000, -0.0023957800000000, 0.0026471800000000 ] - [ 0.0008151900000000, 0.0001085000000000, -0.0005435900000000 ] - [ -0.0008486500000000, 0.0002280000000000, 0.0001606900000000 ] - [ 0.0008096600000000, 0.0000650000000000, -0.0008454200000000 ] - [ 0.0001992200000000, -0.0002828300000000, -0.0011964000000000 ] - [ -0.0003347200000000, -0.0000301600000000, -0.0015618700000000 ] - [ -0.0898400400000000, -0.0354620800000000, 0.0757401900000000 ] - [ 0.0009477500000000, 0.0007267000000000, 0.0004808100000000 ] - [ 0.0007322000000000, -0.0004700800000000, 0.0004967000000000 ] - [ 0.0009311600000000, -0.0004309600000000, 0.0003914100000000 ] - [ 0.0022196800000000, -0.0008489100000000, -0.0034270300000000 ] - [ -0.0011881800000000, 0.0007157100000000, -0.0003345100000000 ] - [ 0.0007095100000000, 0.0003186200000000, -0.0001601000000000 ] - [ 0.0002536000000000, -0.0005573600000000, -0.0008740700000000 ]- atom: 75 displacement: [ 0.0099999051424936, 0.0000000000000000, 0.0000435561835931 ] forces: - [ 0.0009784900000000, -0.0014973000000000, -0.0006890700000000 ] - [ -0.0034246300000000, 0.0011604600000000, -0.0001450100000000 ] - [ -0.0116912800000000, -0.0083129700000000, -0.0072412300000000 ] - [ 0.0854845900000000, -0.0622512300000000, 0.0077295300000000 ] - [ -0.0000108200000000, 0.0006722600000000, 0.0000507100000000 ] - [ -0.0025107600000000, 0.0001536000000000, -0.0042677200000000 ] - [ -0.0004939900000000, -0.0006145900000000, -0.0017144800000000 ] - [ -0.0017254300000000, -0.0008308300000000, 0.0029041500000000 ] - [ -0.0003466600000000, 0.0031958800000000, -0.0030908400000000 ] - [ 0.0003166800000000, 0.0009925900000000, -0.0000487500000000 ] - [ -0.0049467500000000, 0.0025023600000000, 0.0001802400000000 ] - [ 0.0283311000000000, 0.0147495400000000, 0.0111044700000000 ] - [ 0.0008070100000000, -0.0022619000000000, 0.0003468200000000 ] - [ 0.0000539100000000, 0.0016779500000000, -0.0011622900000000 ] - [ -0.0003654400000000, -0.0014070200000000, -0.0047344900000000 ] - [ -0.0012717200000000, 0.0022235700000000, 0.0054578100000000 ] - [ -0.0001973300000000, -0.0002833000000000, -0.0004216200000000 ] - [ -0.0003730900000000, -0.0002423500000000, -0.0004878900000000 ] - [ -0.0221218900000000, -0.0036332200000000, 0.0112222900000000 ] - [ -0.0050655100000000, -0.0022599400000000, 0.0069439100000000 ] - [ -0.0002264900000000, 0.0003220700000000, -0.0001541100000000 ] - [ -0.0003855300000000, 0.0002470200000000, -0.0003211700000000 ] - [ 0.0015138100000000, -0.0002149200000000, 0.0003986000000000 ] - [ 0.0008198700000000, 0.0000150300000000, -0.0001593400000000 ] - [ -0.0002548600000000, 0.0003495900000000, 0.0002678200000000 ] - [ -0.0005324400000000, 0.0004685700000000, 0.0001275500000000 ] - [ -0.0020246300000000, 0.0032430100000000, -0.0017418900000000 ] - [ -0.0004223000000000, -0.0002071100000000, 0.0004882200000000 ] - [ -0.0003553300000000, -0.0001580300000000, 0.0001124600000000 ] - [ -0.0004565500000000, -0.0004080400000000, -0.0000618900000000 ] - [ -0.0000078600000000, -0.0005260900000000, 0.0012577400000000 ] - [ 0.0003923000000000, 0.0001227000000000, -0.0003053100000000 ] - [ -0.0000880500000000, 0.0000691500000000, 0.0007963800000000 ] - [ 0.0005943800000000, -0.0011332700000000, 0.0005915100000000 ] - [ 0.0020502900000000, 0.0028392100000000, -0.0014342000000000 ] - [ -0.0036692100000000, -0.0015662100000000, -0.0010073600000000 ] - [ 0.0002668800000000, -0.0004885500000000, -0.0000699100000000 ] - [ -0.0009620200000000, 0.0050132400000000, 0.0043343600000000 ] - [ -0.0002946600000000, -0.0004381800000000, 0.0008557200000000 ] - [ -0.0002192500000000, -0.0000783200000000, -0.0007096600000000 ] - [ -0.0017862800000000, 0.0046415900000000, 0.0016469800000000 ] - [ 0.0015514800000000, 0.0005289100000000, 0.0000088700000000 ] - [ -0.0003938600000000, 0.0024878900000000, 0.0006809300000000 ] - [ 0.0036828000000000, -0.0059382400000000, 0.0003015600000000 ] - [ -0.0001241000000000, 0.0001016000000000, -0.0008018800000000 ] - [ 0.0004811800000000, 0.0002616300000000, 0.0008492600000000 ] - [ 0.0001481200000000, 0.0000909300000000, 0.0004057500000000 ] - [ -0.0000647500000000, -0.0008679800000000, 0.0001336000000000 ] - [ -0.0001611000000000, 0.0001065100000000, -0.0002038500000000 ] - [ 0.0004234100000000, -0.0001536500000000, -0.0000533500000000 ] - [ 0.0380530400000000, 0.0081736600000000, -0.0090744100000000 ] - [ 0.0207398300000000, -0.0044290700000000, 0.0015836000000000 ] - [ -0.0000309600000000, -0.0000163000000000, -0.0003355300000000 ] - [ 0.0004148200000000, 0.0000884900000000, 0.0000633600000000 ] - [ -0.0016365200000000, -0.0002633600000000, 0.0012957400000000 ] - [ -0.0002810300000000, 0.0001435900000000, -0.0000010200000000 ] - [ 0.0015088300000000, 0.0017946500000000, 0.0036885800000000 ] - [ 0.0062324000000000, -0.0065488800000000, -0.0096137900000000 ] - [ -0.0003885400000000, -0.0003565800000000, -0.0005518900000000 ] - [ 0.0010941200000000, -0.0000857400000000, 0.0011293300000000 ] - [ 0.0011603700000000, 0.0003062400000000, -0.0002408200000000 ] - [ -0.0008105300000000, -0.0026469900000000, -0.0046844500000000 ] - [ 0.0001585900000000, 0.0001518700000000, 0.0001674200000000 ] - [ 0.0013976500000000, 0.0001390400000000, 0.0022527400000000 ] - [ -0.0005361600000000, 0.0000324800000000, -0.0004364200000000 ] - [ -0.0002026300000000, -0.0008236300000000, 0.0007344400000000 ] - [ 0.0041321700000000, -0.0187346500000000, -0.0001484000000000 ] - [ 0.0020433600000000, -0.0002138500000000, -0.0002751600000000 ] - [ -0.0004606800000000, -0.0007591100000000, 0.0000282600000000 ] - [ -0.0003984500000000, 0.0008610400000000, 0.0006171500000000 ] - [ -0.0009720200000000, 0.0000469000000000, -0.0017348400000000 ] - [ 0.0012556500000000, 0.0003662000000000, 0.0004931500000000 ] - [ -0.0003464100000000, 0.0002832900000000, -0.0001026600000000 ] - [ -0.0000638900000000, -0.0005645800000000, -0.0001692200000000 ] - [ -0.1412966000000000, 0.0702266300000000, -0.0140129100000000 ] - [ 0.0071201500000000, -0.0007379500000000, 0.0000798600000000 ] - [ -0.0002061100000000, -0.0001869500000000, 0.0000063000000000 ] - [ 0.0001214700000000, -0.0003454700000000, 0.0007436800000000 ] - [ 0.0004182300000000, 0.0015405800000000, -0.0009432300000000 ] - [ 0.0008581100000000, 0.0000948300000000, 0.0012712400000000 ]- atom: 75 displacement: [ -0.0099999051424936, 0.0000000000000000, -0.0000435561835931 ] forces: - [ -0.0021193400000000, 0.0011032000000000, -0.0002569200000000 ] - [ 0.0022903100000000, -0.0015606100000000, -0.0008183400000000 ] - [ 0.0120015400000000, 0.0096856400000000, 0.0084053200000000 ] - [ -0.0869588600000000, 0.0672184100000000, -0.0065158300000000 ] - [ -0.0011146600000000, -0.0003373300000000, -0.0009925900000000 ] - [ 0.0013089900000000, 0.0001572000000000, 0.0032180800000000 ] - [ 0.0008186400000000, -0.0007932400000000, 0.0029534500000000 ] - [ 0.0021212000000000, -0.0005909300000000, -0.0017062200000000 ] - [ 0.0020116100000000, -0.0017181000000000, 0.0018873900000000 ] - [ 0.0013260300000000, 0.0004725800000000, -0.0011257100000000 ] - [ 0.0036536500000000, -0.0028587800000000, -0.0010289200000000 ] - [ -0.0292598800000000, -0.0155067900000000, -0.0121587400000000 ] - [ 0.0008669400000000, 0.0007305600000000, -0.0015099100000000 ] - [ 0.0016243600000000, -0.0031810700000000, -0.0000118200000000 ] - [ -0.0009027600000000, 0.0018408200000000, 0.0038597100000000 ] - [ 0.0000182800000000, -0.0018073900000000, -0.0063609400000000 ] - [ -0.0003724600000000, -0.0003054100000000, -0.0002599500000000 ] - [ -0.0001956700000000, -0.0003475600000000, -0.0002014000000000 ] - [ 0.0235814400000000, 0.0036065100000000, -0.0112240800000000 ] - [ 0.0067147500000000, 0.0022190800000000, -0.0070492700000000 ] - [ -0.0003405200000000, 0.0002627600000000, -0.0005231900000000 ] - [ -0.0001896100000000, 0.0003349700000000, -0.0003510700000000 ] - [ 0.0001312900000000, 0.0002663300000000, -0.0004438100000000 ] - [ 0.0008216300000000, 0.0000359100000000, 0.0001094000000000 ] - [ -0.0006134200000000, 0.0003530400000000, -0.0001283900000000 ] - [ -0.0003366200000000, 0.0002389800000000, 0.0000081100000000 ] - [ 0.0023223100000000, -0.0030200500000000, 0.0025388600000000 ] - [ 0.0007318900000000, 0.0003893800000000, 0.0002868100000000 ] - [ -0.0005095200000000, -0.0005537700000000, 0.0000228100000000 ] - [ -0.0004138500000000, -0.0003050600000000, 0.0001953900000000 ] - [ 0.0003187000000000, 0.0003540700000000, -0.0004707900000000 ] - [ -0.0000856000000000, -0.0002943000000000, 0.0010863000000000 ] - [ 0.0002756700000000, -0.0002449600000000, 0.0000971700000000 ] - [ -0.0004178800000000, 0.0009704100000000, 0.0002965700000000 ] - [ -0.0027870500000000, -0.0024289600000000, 0.0007515300000000 ] - [ 0.0029750800000000, 0.0018719600000000, 0.0003246000000000 ] - [ -0.0000826700000000, 0.0006571200000000, 0.0009441500000000 ] - [ 0.0011153400000000, -0.0047067200000000, -0.0033461200000000 ] - [ -0.0004565600000000, 0.0000682300000000, -0.0015097300000000 ] - [ -0.0005317700000000, -0.0002942200000000, 0.0000454900000000 ] - [ 0.0014666900000000, -0.0049776300000000, -0.0024798300000000 ] - [ -0.0019240900000000, -0.0009399200000000, -0.0008796600000000 ] - [ 0.0009130900000000, -0.0027565700000000, -0.0003566400000000 ] - [ -0.0031550800000000, 0.0056615500000000, 0.0000166800000000 ] - [ -0.0002641100000000, 0.0003215900000000, -0.0000728900000000 ] - [ -0.0008188100000000, 0.0001524500000000, -0.0016815700000000 ] - [ 0.0003903900000000, 0.0002104200000000, -0.0000871700000000 ] - [ 0.0005892900000000, 0.0011601000000000, 0.0002065200000000 ] - [ 0.0004358200000000, -0.0001421600000000, -0.0002099300000000 ] - [ -0.0001479900000000, 0.0001146000000000, -0.0003545200000000 ] - [ -0.0386072700000000, -0.0074302300000000, 0.0097734900000000 ] - [ -0.0226676700000000, 0.0051660000000000, -0.0008358100000000 ] - [ 0.0003004500000000, 0.0000731300000000, -0.0000823100000000 ] - [ -0.0001258500000000, -0.0000257300000000, -0.0004793300000000 ] - [ 0.0002435300000000, -0.0003553500000000, -0.0002960200000000 ] - [ -0.0010983900000000, -0.0007735300000000, 0.0010302200000000 ] - [ -0.0013612400000000, -0.0019015900000000, -0.0039427400000000 ] - [ -0.0062559400000000, 0.0065115500000000, 0.0095106200000000 ] - [ 0.0012226900000000, -0.0000386400000000, 0.0017963400000000 ] - [ -0.0002508700000000, -0.0003070500000000, 0.0001327400000000 ] - [ -0.0010203200000000, -0.0001954600000000, -0.0000708200000000 ] - [ 0.0008794600000000, 0.0027825000000000, 0.0044497800000000 ] - [ 0.0006783700000000, 0.0002552400000000, 0.0010812100000000 ] - [ -0.0005463100000000, 0.0002676000000000, -0.0009757700000000 ] - [ -0.0006224500000000, -0.0009589600000000, 0.0014197800000000 ] - [ -0.0009743000000000, -0.0001363200000000, 0.0002896400000000 ] - [ -0.0034176800000000, 0.0181549300000000, -0.0009258900000000 ] - [ -0.0013466400000000, -0.0001389900000000, -0.0008100000000000 ] - [ -0.0007269500000000, 0.0017282500000000, 0.0009959800000000 ] - [ -0.0007789700000000, 0.0001055700000000, 0.0003993700000000 ] - [ 0.0016443800000000, 0.0002953500000000, 0.0006485600000000 ] - [ -0.0005834400000000, -0.0000236600000000, -0.0015791900000000 ] - [ -0.0000484800000000, 0.0002394200000000, 0.0002434500000000 ] - [ -0.0003241600000000, 0.0010981500000000, 0.0003101400000000 ] - [ 0.1441008100000000, -0.0741945900000000, 0.0148352300000000 ] - [ -0.0057889900000000, 0.0002583200000000, 0.0001996900000000 ] - [ -0.0001892300000000, -0.0003065900000000, 0.0001278200000000 ] - [ -0.0005155900000000, -0.0001425100000000, -0.0005865100000000 ] - [ 0.0008922900000000, -0.0011220900000000, 0.0012128200000000 ] - [ 0.0004626100000000, 0.0003289900000000, -0.0010108800000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0117657200000000, -0.0151294100000000, 0.0018724600000000 ] - [ 0.0016716300000000, -0.0061895100000000, -0.0017836400000000 ] - [ -0.0036130000000000, 0.0031722000000000, 0.0010015100000000 ] - [ -0.0564132300000000, 0.0982868900000000, -0.0008484800000000 ] - [ 0.0009633600000000, -0.0041356300000000, 0.0000546200000000 ] - [ -0.0063425400000000, -0.0102426000000000, -0.0116282700000000 ] - [ -0.0022316700000000, 0.0052582100000000, -0.0006730700000000 ] - [ 0.0075233000000000, 0.0017634000000000, -0.0069399200000000 ] - [ 0.0024600000000000, -0.0077502500000000, 0.0017028800000000 ] - [ -0.0021314900000000, -0.0036920700000000, -0.0000199200000000 ] - [ -0.0004692000000000, 0.0042110700000000, -0.0002125000000000 ] - [ 0.0152847900000000, 0.0016994400000000, -0.0079356800000000 ] - [ 0.0008473600000000, -0.0041564800000000, 0.0004192000000000 ] - [ 0.0020023800000000, -0.0201734700000000, 0.0073393000000000 ] - [ -0.0021576200000000, 0.0061847800000000, -0.0050769000000000 ] - [ 0.0003817700000000, 0.0017243000000000, -0.0064569100000000 ] - [ -0.0000750800000000, -0.0006096100000000, -0.0014424800000000 ] - [ -0.0001911700000000, -0.0006259800000000, -0.0007671400000000 ] - [ -0.0039066400000000, 0.0116648000000000, 0.0019621300000000 ] - [ 0.0034060200000000, -0.0002353000000000, -0.0024089200000000 ] - [ -0.0000432400000000, -0.0003408400000000, 0.0001342500000000 ] - [ -0.0007840900000000, -0.0003308100000000, 0.0004058900000000 ] - [ 0.0005329600000000, 0.0003893700000000, -0.0001543200000000 ] - [ -0.0002584300000000, 0.0005705500000000, -0.0000609000000000 ] - [ -0.0004760600000000, -0.0008980600000000, 0.0006615700000000 ] - [ -0.0006119000000000, -0.0002155200000000, -0.0000063300000000 ] - [ 0.0033768800000000, 0.0000374000000000, 0.0035120500000000 ] - [ -0.0000992900000000, 0.0007824200000000, 0.0004355400000000 ] - [ -0.0000749800000000, -0.0014203100000000, -0.0000384500000000 ] - [ -0.0002807300000000, -0.0009488600000000, -0.0001746700000000 ] - [ 0.0001292600000000, 0.0004867400000000, 0.0005070400000000 ] - [ 0.0007587200000000, 0.0010152700000000, 0.0018103600000000 ] - [ 0.0018088900000000, -0.0000176900000000, 0.0020707200000000 ] - [ -0.0009124900000000, 0.0008583900000000, 0.0006228600000000 ] - [ -0.0004090800000000, 0.0002506100000000, -0.0007348700000000 ] - [ -0.0068335800000000, 0.0253098700000000, -0.0163792200000000 ] - [ 0.0001845400000000, 0.0003331200000000, 0.0000973100000000 ] - [ -0.0022582000000000, 0.0211031300000000, 0.0166343300000000 ] - [ -0.0001827200000000, 0.0001033000000000, -0.0005108900000000 ] - [ -0.0002260000000000, -0.0004846900000000, -0.0003593800000000 ] - [ 0.0048750900000000, 0.0206636900000000, 0.0038051500000000 ] - [ -0.0007109600000000, -0.0003709500000000, -0.0004244100000000 ] - [ 0.0026179700000000, 0.0000751100000000, -0.0006023200000000 ] - [ -0.0058347800000000, 0.0069070500000000, -0.0000854900000000 ] - [ -0.0020822800000000, 0.0010956100000000, -0.0000484800000000 ] - [ 0.0038373200000000, 0.0001609500000000, 0.0044347500000000 ] - [ 0.0012450700000000, 0.0008079600000000, 0.0000533000000000 ] - [ -0.0001322800000000, 0.0014717400000000, 0.0028758800000000 ] - [ 0.0006892200000000, 0.0043701900000000, 0.0013857200000000 ] - [ 0.0001774100000000, 0.0014367000000000, 0.0001984000000000 ] - [ 0.0046319700000000, -0.0045768200000000, -0.0013153300000000 ] - [ -0.0058045800000000, -0.0031087700000000, 0.0023180700000000 ] - [ -0.0003952800000000, 0.0014878500000000, -0.0005949300000000 ] - [ 0.0011010700000000, 0.0042786100000000, -0.0007691300000000 ] - [ -0.0006065900000000, -0.0018962600000000, -0.0006753200000000 ] - [ -0.0004578100000000, -0.0023288900000000, 0.0024814100000000 ] - [ 0.0013956700000000, -0.0011520100000000, 0.0003371000000000 ] - [ -0.0058620900000000, 0.0014055800000000, 0.0063306100000000 ] - [ 0.0008947700000000, 0.0028792900000000, -0.0000486800000000 ] - [ 0.0002677400000000, 0.0008658600000000, 0.0006267300000000 ] - [ 0.0002094500000000, -0.0010314400000000, -0.0003018900000000 ] - [ -0.0078009000000000, 0.0000474800000000, 0.0133278500000000 ] - [ 0.0000486900000000, 0.0012703400000000, -0.0003680100000000 ] - [ -0.0005235200000000, 0.0013652800000000, -0.0002943400000000 ] - [ 0.0024577500000000, 0.0036748400000000, -0.0041115900000000 ] - [ -0.0007056500000000, 0.0005305200000000, 0.0004420100000000 ] - [ -0.0094773000000000, 0.0228929600000000, -0.0019171000000000 ] - [ 0.0027380200000000, -0.0007133900000000, -0.0006000300000000 ] - [ -0.0003290300000000, 0.0035179000000000, -0.0005760600000000 ] - [ -0.0012562600000000, 0.0011733500000000, 0.0008444200000000 ] - [ 0.0009045000000000, -0.0003534300000000, 0.0001981000000000 ] - [ -0.0004985400000000, -0.0005968000000000, -0.0015590200000000 ] - [ 0.0008073600000000, 0.0043802700000000, 0.0009435700000000 ] - [ 0.0003747100000000, 0.0043641000000000, 0.0006523100000000 ] - [ 0.0753343700000000, -0.1830025900000000, -0.0056878200000000 ] - [ 0.0001549800000000, -0.0030701700000000, 0.0000253700000000 ] - [ -0.0006150900000000, 0.0021115500000000, -0.0000636300000000 ] - [ -0.0003518600000000, 0.0096976400000000, -0.0009334000000000 ] - [ -0.0006737100000000, -0.0042676200000000, 0.0021322500000000 ] - [ 0.0007716600000000, -0.0040714700000000, 0.0009328200000000 ]- atom: 75 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0105197600000000, 0.0147116500000000, -0.0027731000000000 ] - [ -0.0028038500000000, 0.0058446400000000, 0.0008317800000000 ] - [ 0.0040312800000000, -0.0015814400000000, 0.0003345900000000 ] - [ 0.0520492900000000, -0.0918572700000000, 0.0020528400000000 ] - [ -0.0021145900000000, 0.0044820500000000, -0.0010116400000000 ] - [ 0.0051923600000000, 0.0105893700000000, 0.0106770300000000 ] - [ 0.0026127000000000, -0.0067513100000000, 0.0019237100000000 ] - [ -0.0071949400000000, -0.0032163000000000, 0.0081824500000000 ] - [ -0.0008181800000000, 0.0092493500000000, -0.0029316300000000 ] - [ 0.0037962400000000, 0.0051671300000000, -0.0011555600000000 ] - [ -0.0007966300000000, -0.0047103300000000, -0.0006522000000000 ] - [ -0.0172350000000000, -0.0036870700000000, 0.0062734900000000 ] - [ 0.0008194700000000, 0.0027061700000000, -0.0016079800000000 ] - [ -0.0003078600000000, 0.0186430900000000, -0.0084971000000000 ] - [ 0.0008721900000000, -0.0056872700000000, 0.0042254800000000 ] - [ -0.0016463000000000, -0.0012910900000000, 0.0056005400000000 ] - [ -0.0004930300000000, 0.0000228800000000, 0.0007536700000000 ] - [ -0.0003798300000000, 0.0000381400000000, 0.0000894300000000 ] - [ 0.0059872100000000, -0.0116309200000000, -0.0021919300000000 ] - [ -0.0017776200000000, 0.0001567400000000, 0.0023864400000000 ] - [ -0.0005294400000000, 0.0009289500000000, -0.0008114200000000 ] - [ 0.0002155600000000, 0.0009173100000000, -0.0010881800000000 ] - [ 0.0011091800000000, -0.0003384300000000, 0.0001066300000000 ] - [ 0.0019116500000000, -0.0005245600000000, 0.0000125100000000 ] - [ -0.0003882700000000, 0.0016050000000000, -0.0005325400000000 ] - [ -0.0002562400000000, 0.0009247500000000, 0.0001428800000000 ] - [ -0.0030600100000000, 0.0000617400000000, -0.0027214800000000 ] - [ 0.0004119400000000, -0.0006141400000000, 0.0003460800000000 ] - [ -0.0007877500000000, 0.0007100200000000, 0.0001717500000000 ] - [ -0.0005865700000000, 0.0002405500000000, 0.0003082800000000 ] - [ 0.0001839300000000, -0.0006572200000000, 0.0002630000000000 ] - [ -0.0004412900000000, -0.0011814600000000, -0.0010281300000000 ] - [ -0.0015922900000000, -0.0001759800000000, -0.0011576500000000 ] - [ 0.0010917400000000, -0.0010491200000000, 0.0002701600000000 ] - [ -0.0003558500000000, 0.0000722900000000, 0.0000820800000000 ] - [ 0.0059998200000000, -0.0246308300000000, 0.0153717200000000 ] - [ -0.0000009600000000, -0.0001391000000000, 0.0007982200000000 ] - [ 0.0024978300000000, -0.0210531800000000, -0.0157858900000000 ] - [ -0.0005716900000000, -0.0004551200000000, -0.0001446400000000 ] - [ -0.0005214200000000, 0.0001247000000000, -0.0003056000000000 ] - [ -0.0051363800000000, -0.0206126500000000, -0.0044936400000000 ] - [ 0.0003287100000000, -0.0000634000000000, -0.0004531800000000 ] - [ -0.0020487000000000, -0.0004150400000000, 0.0009053400000000 ] - [ 0.0063784000000000, -0.0072253900000000, 0.0003954800000000 ] - [ 0.0017130600000000, -0.0006734300000000, -0.0008259100000000 ] - [ -0.0042320800000000, 0.0002651600000000, -0.0053260500000000 ] - [ -0.0007149900000000, -0.0005031400000000, 0.0002672300000000 ] - [ 0.0006797000000000, -0.0011564500000000, -0.0025603500000000 ] - [ -0.0004155800000000, -0.0043823900000000, -0.0017834600000000 ] - [ 0.0001014000000000, -0.0014882600000000, -0.0006165400000000 ] - [ -0.0063859300000000, 0.0050910100000000, 0.0024091000000000 ] - [ 0.0044885400000000, 0.0036484800000000, -0.0013356800000000 ] - [ 0.0006763800000000, -0.0014397600000000, 0.0001768800000000 ] - [ -0.0008335700000000, -0.0042366300000000, 0.0003580100000000 ] - [ -0.0007858700000000, 0.0012958200000000, 0.0016711400000000 ] - [ -0.0009271000000000, 0.0017196300000000, -0.0014746600000000 ] - [ -0.0012679200000000, 0.0009993300000000, -0.0006768900000000 ] - [ 0.0059490200000000, -0.0015817800000000, -0.0065920800000000 ] - [ -0.0000615900000000, -0.0032714800000000, 0.0012810500000000 ] - [ 0.0005681700000000, -0.0012722700000000, 0.0006256700000000 ] - [ -0.0000790500000000, 0.0011663600000000, 0.0000051500000000 ] - [ 0.0079637500000000, 0.0000917200000000, -0.0136783600000000 ] - [ 0.0007912700000000, -0.0008672800000000, 0.0016255200000000 ] - [ 0.0013708600000000, -0.0009630800000000, 0.0015592700000000 ] - [ -0.0036345700000000, -0.0046158500000000, 0.0051311800000000 ] - [ -0.0004574400000000, -0.0014875000000000, 0.0005743200000000 ] - [ 0.0104851900000000, -0.0238636900000000, 0.0008311800000000 ] - [ -0.0020780500000000, 0.0003821300000000, -0.0004936000000000 ] - [ -0.0008322700000000, -0.0025507400000000, 0.0015737700000000 ] - [ 0.0000739000000000, -0.0002225700000000, 0.0001770900000000 ] - [ -0.0002361800000000, 0.0006910200000000, -0.0012829800000000 ] - [ 0.0011566900000000, 0.0009312800000000, 0.0004528100000000 ] - [ -0.0011948700000000, -0.0038718200000000, -0.0008084900000000 ] - [ -0.0007691400000000, -0.0038521100000000, -0.0005110600000000 ] - [ -0.0691645800000000, 0.1793329100000000, 0.0071359900000000 ] - [ 0.0011500400000000, 0.0026428500000000, 0.0002194400000000 ] - [ 0.0002202300000000, -0.0026239200000000, 0.0002100200000000 ] - [ -0.0000332400000000, -0.0102231200000000, 0.0010599000000000 ] - [ 0.0020065500000000, 0.0047241800000000, -0.0018696100000000 ] - [ 0.0005446700000000, 0.0045174600000000, -0.0006710600000000 ]- atom: 75 displacement: [ -0.0050652715400171, 0.0000000000000000, 0.0086222400932642 ] forces: - [ -0.0052795200000000, -0.0045682100000000, 0.0027083800000000 ] - [ 0.0014195000000000, -0.0025651300000000, 0.0003821700000000 ] - [ 0.0063736300000000, 0.0085131500000000, 0.0087412700000000 ] - [ -0.0344828600000000, 0.0261043000000000, 0.0179900200000000 ] - [ 0.0001413400000000, -0.0008022900000000, -0.0012447100000000 ] - [ -0.0024211200000000, -0.0009979900000000, -0.0012476200000000 ] - [ -0.0020511100000000, 0.0023945600000000, -0.0010683000000000 ] - [ 0.0056619800000000, 0.0009075500000000, -0.0045330800000000 ] - [ 0.0010601000000000, -0.0005938900000000, 0.0006634700000000 ] - [ 0.0003002900000000, 0.0000334700000000, -0.0004129700000000 ] - [ 0.0018321000000000, -0.0016693500000000, -0.0012706900000000 ] - [ -0.0067462500000000, -0.0047657500000000, 0.0039401400000000 ] - [ 0.0006752500000000, -0.0003783200000000, -0.0015656300000000 ] - [ 0.0020923200000000, 0.0008851000000000, -0.0011243900000000 ] - [ -0.0030026300000000, 0.0010385600000000, -0.0011567000000000 ] - [ 0.0006589600000000, -0.0028778200000000, -0.0089079400000000 ] - [ -0.0002530700000000, -0.0004111900000000, -0.0007450800000000 ] - [ -0.0001985900000000, -0.0004964700000000, -0.0006937800000000 ] - [ 0.0194519300000000, 0.0029429400000000, -0.0024814700000000 ] - [ 0.0033571000000000, 0.0003488900000000, -0.0016234000000000 ] - [ -0.0002442700000000, 0.0001851100000000, -0.0002527100000000 ] - [ -0.0003713500000000, 0.0001278800000000, -0.0000349400000000 ] - [ 0.0010309700000000, 0.0001030100000000, -0.0007199200000000 ] - [ 0.0001731000000000, 0.0002158900000000, 0.0000225800000000 ] - [ -0.0004613900000000, 0.0001204400000000, -0.0000146800000000 ] - [ -0.0004174300000000, 0.0002267300000000, 0.0000351700000000 ] - [ 0.0001764000000000, 0.0002828000000000, 0.0027068600000000 ] - [ 0.0005722600000000, 0.0003849700000000, 0.0005537300000000 ] - [ -0.0004345400000000, -0.0005229900000000, 0.0001657200000000 ] - [ -0.0005183900000000, -0.0004631100000000, -0.0000110200000000 ] - [ 0.0002908200000000, 0.0003602000000000, -0.0004407100000000 ] - [ -0.0001388100000000, -0.0000055200000000, 0.0001632400000000 ] - [ 0.0009774500000000, 0.0000786900000000, 0.0007301300000000 ] - [ -0.0007985700000000, 0.0018169100000000, -0.0000718700000000 ] - [ -0.0019059900000000, -0.0020482700000000, 0.0005431400000000 ] - [ 0.0037544200000000, -0.0117684700000000, 0.0037670600000000 ] - [ -0.0000881800000000, 0.0005848300000000, 0.0008102400000000 ] - [ 0.0000044400000000, 0.0018590600000000, 0.0021697600000000 ] - [ 0.0000333600000000, -0.0008233400000000, -0.0008040000000000 ] - [ -0.0008442300000000, -0.0008038200000000, -0.0000356900000000 ] - [ 0.0038869900000000, 0.0085396200000000, -0.0015227200000000 ] - [ -0.0012865000000000, -0.0003557900000000, -0.0010982300000000 ] - [ 0.0013585700000000, -0.0018728800000000, -0.0008690400000000 ] - [ -0.0014541100000000, 0.0030071000000000, -0.0008956200000000 ] - [ -0.0012870700000000, 0.0007731400000000, -0.0000179800000000 ] - [ 0.0006176700000000, -0.0002398400000000, 0.0000461500000000 ] - [ 0.0000520000000000, -0.0006049500000000, 0.0003973800000000 ] - [ 0.0004965400000000, 0.0013784100000000, 0.0014088300000000 ] - [ 0.0004543100000000, 0.0014222600000000, 0.0001641800000000 ] - [ -0.0001026600000000, 0.0005450200000000, -0.0000468700000000 ] - [ -0.0308994400000000, -0.0065078400000000, 0.0049789100000000 ] - [ -0.0042522000000000, 0.0016598400000000, -0.0042550300000000 ] - [ 0.0000294200000000, 0.0003494400000000, -0.0002689400000000 ] - [ 0.0004434700000000, 0.0001871100000000, -0.0003581900000000 ] - [ 0.0012394100000000, -0.0021048900000000, 0.0042433100000000 ] - [ -0.0009294800000000, -0.0015279700000000, 0.0017332500000000 ] - [ 0.0013142000000000, -0.0007609300000000, -0.0026443500000000 ] - [ -0.0130923600000000, 0.0089576800000000, 0.0126269100000000 ] - [ 0.0002287600000000, 0.0000678100000000, -0.0005498700000000 ] - [ 0.0002628600000000, -0.0001031900000000, 0.0005080700000000 ] - [ -0.0008063600000000, -0.0004837600000000, 0.0015409400000000 ] - [ -0.0026413400000000, 0.0062004500000000, 0.0110951600000000 ] - [ 0.0002934900000000, 0.0004191000000000, 0.0005748000000000 ] - [ 0.0003577300000000, 0.0003130500000000, 0.0003938100000000 ] - [ 0.0003196800000000, 0.0011053200000000, -0.0007312200000000 ] - [ -0.0005393000000000, -0.0002482000000000, 0.0003281900000000 ] - [ -0.0017752900000000, 0.0073269200000000, -0.0034404600000000 ] - [ 0.0001768400000000, -0.0001096200000000, -0.0007022400000000 ] - [ -0.0015348100000000, 0.0017183300000000, 0.0018021400000000 ] - [ -0.0007340100000000, 0.0005351400000000, 0.0008213900000000 ] - [ 0.0017646800000000, 0.0004184700000000, 0.0009378600000000 ] - [ 0.0003951200000000, 0.0001077300000000, -0.0003213700000000 ] - [ 0.0000638100000000, 0.0007439200000000, -0.0001018400000000 ] - [ -0.0000861500000000, 0.0015270200000000, 0.0000306200000000 ] - [ 0.0604486300000000, -0.0426079000000000, -0.0434500100000000 ] - [ -0.0026360200000000, -0.0000608100000000, -0.0006899400000000 ] - [ -0.0003339600000000, 0.0000156800000000, 0.0003059500000000 ] - [ -0.0005821000000000, -0.0000838800000000, 0.0006124500000000 ] - [ -0.0001557300000000, -0.0021857800000000, 0.0017673900000000 ] - [ 0.0015452800000000, -0.0004134400000000, 0.0000144800000000 ]- atom: 75 displacement: [ 0.0050652715400171, 0.0000000000000000, -0.0086222400932642 ] forces: - [ 0.0041508500000000, 0.0042152300000000, -0.0036567800000000 ] - [ -0.0025656000000000, 0.0021986000000000, -0.0013165900000000 ] - [ -0.0060400300000000, -0.0071047200000000, -0.0075558200000000 ] - [ 0.0347780200000000, -0.0242520100000000, -0.0170112000000000 ] - [ -0.0012834300000000, 0.0011615900000000, 0.0002972800000000 ] - [ 0.0012496300000000, 0.0013425500000000, 0.0002135700000000 ] - [ 0.0023754300000000, -0.0038292600000000, 0.0023045100000000 ] - [ -0.0053137700000000, -0.0023341800000000, 0.0057621100000000 ] - [ 0.0006070500000000, 0.0020792400000000, -0.0018543900000000 ] - [ 0.0013557600000000, 0.0014532100000000, -0.0007544500000000 ] - [ -0.0031197300000000, 0.0012627900000000, 0.0004130700000000 ] - [ 0.0056241700000000, 0.0043224900000000, -0.0047563700000000 ] - [ 0.0009921500000000, -0.0011301200000000, 0.0003871000000000 ] - [ -0.0004205800000000, -0.0023279800000000, -0.0000681100000000 ] - [ 0.0017248800000000, -0.0006075000000000, 0.0002948000000000 ] - [ -0.0019406900000000, 0.0032701000000000, 0.0080165700000000 ] - [ -0.0003175500000000, -0.0001757400000000, 0.0000653300000000 ] - [ -0.0003702600000000, -0.0000919100000000, 0.0000076300000000 ] - [ -0.0178993500000000, -0.0029919900000000, 0.0023488800000000 ] - [ -0.0017386900000000, -0.0004148600000000, 0.0016260700000000 ] - [ -0.0003234500000000, 0.0004007100000000, -0.0004268500000000 ] - [ -0.0002018500000000, 0.0004567100000000, -0.0006397700000000 ] - [ 0.0006069200000000, -0.0000511700000000, 0.0006687300000000 ] - [ 0.0014820200000000, -0.0001686300000000, -0.0000730900000000 ] - [ -0.0004081500000000, 0.0005858000000000, 0.0001545100000000 ] - [ -0.0004509400000000, 0.0004821000000000, 0.0001007100000000 ] - [ 0.0001399400000000, -0.0001108500000000, -0.0019583700000000 ] - [ -0.0002601700000000, -0.0002084500000000, 0.0002269500000000 ] - [ -0.0004327300000000, -0.0001859500000000, -0.0000291900000000 ] - [ -0.0003511700000000, -0.0002477000000000, 0.0001455600000000 ] - [ 0.0000184700000000, -0.0005323800000000, 0.0012207100000000 ] - [ 0.0004510500000000, -0.0001687500000000, 0.0006079100000000 ] - [ -0.0007913900000000, -0.0002592300000000, 0.0001619800000000 ] - [ 0.0009752600000000, -0.0019716100000000, 0.0009503800000000 ] - [ 0.0011711800000000, 0.0024388200000000, -0.0012170800000000 ] - [ -0.0045062500000000, 0.0121522700000000, -0.0044462800000000 ] - [ 0.0002750000000000, -0.0004097100000000, 0.0000741000000000 ] - [ 0.0001674300000000, -0.0015835500000000, -0.0011964800000000 ] - [ -0.0007843600000000, 0.0004575400000000, 0.0001444100000000 ] - [ 0.0000915800000000, 0.0004283400000000, -0.0006303100000000 ] - [ -0.0042146700000000, -0.0088875000000000, 0.0006443700000000 ] - [ 0.0009077800000000, -0.0000602200000000, 0.0002200000000000 ] - [ -0.0008362600000000, 0.0015881100000000, 0.0011917300000000 ] - [ 0.0020208800000000, -0.0033424500000000, 0.0012086100000000 ] - [ 0.0009257100000000, -0.0003695200000000, -0.0008535600000000 ] - [ -0.0009758100000000, 0.0006590200000000, -0.0008966700000000 ] - [ 0.0004863700000000, 0.0009018000000000, -0.0000786800000000 ] - [ 0.0000141800000000, -0.0011174300000000, -0.0010855700000000 ] - [ -0.0001795800000000, -0.0014662100000000, -0.0005775200000000 ] - [ 0.0003776800000000, -0.0005898900000000, -0.0003647200000000 ] - [ 0.0301235600000000, 0.0072419600000000, -0.0040620900000000 ] - [ 0.0029582700000000, -0.0010568000000000, 0.0051796800000000 ] - [ 0.0002432300000000, -0.0002985500000000, -0.0001454300000000 ] - [ -0.0001585300000000, -0.0001307300000000, -0.0000564900000000 ] - [ -0.0025978800000000, 0.0014671100000000, -0.0031862100000000 ] - [ -0.0004589400000000, 0.0009143400000000, -0.0007247200000000 ] - [ -0.0011961300000000, 0.0006362900000000, 0.0023587700000000 ] - [ 0.0129333300000000, -0.0089461600000000, -0.0126985100000000 ] - [ 0.0006031900000000, -0.0004670100000000, 0.0017950400000000 ] - [ 0.0005830700000000, -0.0002964700000000, 0.0007545200000000 ] - [ 0.0009455900000000, 0.0006055900000000, -0.0018309300000000 ] - [ 0.0028010400000000, -0.0061920200000000, -0.0115995400000000 ] - [ 0.0005453200000000, -0.0000168300000000, 0.0006771400000000 ] - [ 0.0004866800000000, 0.0000901500000000, 0.0008748300000000 ] - [ -0.0014853500000000, -0.0020489900000000, 0.0017269100000000 ] - [ -0.0006392600000000, -0.0007114400000000, 0.0006932600000000 ] - [ 0.0024635000000000, -0.0077412200000000, 0.0024141100000000 ] - [ 0.0005066100000000, -0.0002341900000000, -0.0003881900000000 ] - [ 0.0003437400000000, -0.0007534400000000, -0.0007692600000000 ] - [ -0.0004414500000000, 0.0004263900000000, 0.0001967900000000 ] - [ -0.0010810000000000, -0.0000712000000000, -0.0020203500000000 ] - [ 0.0002748000000000, 0.0002346700000000, -0.0007606900000000 ] - [ -0.0004592700000000, -0.0002311900000000, 0.0002413300000000 ] - [ -0.0003041000000000, -0.0010140500000000, 0.0001045000000000 ] - [ -0.0596150200000000, 0.0415869500000000, 0.0441450700000000 ] - [ 0.0039991800000000, -0.0003977200000000, 0.0009514700000000 ] - [ -0.0000595900000000, -0.0005207000000000, -0.0001680800000000 ] - [ 0.0001877600000000, -0.0004171200000000, -0.0004576300000000 ] - [ 0.0014778200000000, 0.0026224100000000, -0.0015065600000000 ] - [ -0.0002231200000000, 0.0008544000000000, 0.0002515200000000 ]