# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6f214539-71d1-41d4-aa50-7f388eacc365/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 CsBa(BO2)3 / P321 (150) / materials id 556936](https://mdr.nims.go.jp/datasets/a00a921d-4e90-4755-81fd-5ed9231297b3) ## 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: "P321" number: 150 Hall_symbol: "P 3 2\""supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 12.530822880000001, 0.000000000000000, 0.000000000000000 ] # a - [ -6.265411450000000, 10.852010950000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.429602290000000 ] # c points: - symbol: Cs # 1 coordinates: [ 0.000000000000000, 0.364883310000000, 0.000000000000000 ] mass: 132.905452 - symbol: Cs # 2 coordinates: [ 0.000000000000000, 0.696828080000000, 0.000000000000000 ] mass: 132.905452 - symbol: Cs # 3 coordinates: [ 0.696828080000000, 0.000000000000000, 0.000000000000000 ] mass: 132.905452 - symbol: Cs # 4 coordinates: [ 0.303171920000000, 0.303171920000000, 0.000000000000000 ] mass: 132.905452 - symbol: Cs # 5 coordinates: [ 0.635116690000000, 0.635116690000000, 0.000000000000000 ] mass: 132.905452 - symbol: Cs # 6 coordinates: [ 0.364883310000000, 0.000000000000000, 0.000000000000000 ] mass: 132.905452 - symbol: Ba # 7 coordinates: [ 0.000000000000000, 0.705396160000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 8 coordinates: [ 0.629747900000000, 0.629747900000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 9 coordinates: [ 0.000000000000000, 0.370252100000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 10 coordinates: [ 0.705396160000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 11 coordinates: [ 0.370252100000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 12 coordinates: [ 0.294603840000000, 0.294603840000000, 0.500000000000000 ] mass: 137.327000 - symbol: B # 13 coordinates: [ 0.373596810000000, 0.577965420000000, 0.288087910000000 ] mass: 10.811000 - symbol: B # 14 coordinates: [ 0.268241040000000, 0.534683300000000, 0.710384050000000 ] mass: 10.811000 - symbol: B # 15 coordinates: [ 0.911506860000000, 0.870125170000000, 0.715959220000000 ] mass: 10.811000 - symbol: B # 16 coordinates: [ 0.795631390000000, 0.422034580000000, 0.711912090000000 ] mass: 10.811000 - symbol: B # 17 coordinates: [ 0.422034580000000, 0.795631390000000, 0.288087910000000 ] mass: 10.811000 - symbol: B # 18 coordinates: [ 0.266442260000000, 0.731758960000000, 0.710384050000000 ] mass: 10.811000 - symbol: B # 19 coordinates: [ 0.958618310000000, 0.088493140000000, 0.715959220000000 ] mass: 10.811000 - symbol: B # 20 coordinates: [ 0.733557740000000, 0.465316700000000, 0.289615950000000 ] mass: 10.811000 - symbol: B # 21 coordinates: [ 0.465316700000000, 0.733557740000000, 0.710384050000000 ] mass: 10.811000 - symbol: B # 22 coordinates: [ 0.129874830000000, 0.041381690000000, 0.715959220000000 ] mass: 10.811000 - symbol: B # 23 coordinates: [ 0.870125170000000, 0.911506860000000, 0.284040780000000 ] mass: 10.811000 - symbol: B # 24 coordinates: [ 0.626403190000000, 0.204368610000000, 0.711912090000000 ] mass: 10.811000 - symbol: B # 25 coordinates: [ 0.088493140000000, 0.958618310000000, 0.284040780000000 ] mass: 10.811000 - symbol: B # 26 coordinates: [ 0.731758960000000, 0.266442260000000, 0.289615950000000 ] mass: 10.811000 - symbol: B # 27 coordinates: [ 0.577965420000000, 0.373596810000000, 0.711912090000000 ] mass: 10.811000 - symbol: B # 28 coordinates: [ 0.041381690000000, 0.129874830000000, 0.284040780000000 ] mass: 10.811000 - symbol: B # 29 coordinates: [ 0.204368610000000, 0.626403190000000, 0.288087910000000 ] mass: 10.811000 - symbol: B # 30 coordinates: [ 0.534683300000000, 0.268241040000000, 0.289615950000000 ] mass: 10.811000 - symbol: O # 31 coordinates: [ 0.458511270000000, 0.706014260000000, 0.285184790000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.501294140000000, 0.916038360000000, 0.294038390000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.040479920000000, 0.915292060000000, 0.719849870000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.204757590000000, 0.412399870000000, 0.703808750000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.752497010000000, 0.293985740000000, 0.714815210000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.083961640000000, 0.585255760000000, 0.294038390000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.585255760000000, 0.083961640000000, 0.705961610000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.414744240000000, 0.498705860000000, 0.294038390000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.915292060000000, 0.040479920000000, 0.280150130000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.412399870000000, 0.204757590000000, 0.296191250000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.085344500000000, 0.250219490000000, 0.293659250000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.602022380000000, 0.205290510000000, 0.286482570000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.792357720000000, 0.587600130000000, 0.296191250000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.084707940000000, 0.125187840000000, 0.719849870000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.603268120000000, 0.397977620000000, 0.286482570000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.706014260000000, 0.458511270000000, 0.714815210000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.541488730000000, 0.247502990000000, 0.714815210000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.749780510000000, 0.835125020000000, 0.293659250000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.959520080000000, 0.874812160000000, 0.280150130000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.396731880000000, 0.794709490000000, 0.713517430000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.794709490000000, 0.396731880000000, 0.286482570000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.205290510000000, 0.602022380000000, 0.713517430000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.795242410000000, 0.207642280000000, 0.296191250000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.207642280000000, 0.795242410000000, 0.703808750000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.125187840000000, 0.084707940000000, 0.280150130000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.587600130000000, 0.792357720000000, 0.703808750000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.916038360000000, 0.501294140000000, 0.705961610000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.914655500000000, 0.164874980000000, 0.706340750000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.498705860000000, 0.414744240000000, 0.705961610000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.397977620000000, 0.603268120000000, 0.713517430000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.835125020000000, 0.749780510000000, 0.706340750000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.874812160000000, 0.959520080000000, 0.719849870000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.293985740000000, 0.752497010000000, 0.285184790000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.247502990000000, 0.541488730000000, 0.285184790000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.164874980000000, 0.914655500000000, 0.293659250000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.250219490000000, 0.085344500000000, 0.706340750000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.079803218797072, 0.046074409904464, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.092148819661853, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.134596706656286 ] # c*unit_cell: lattice: - [ 12.530822880000001, 0.000000000000000, 0.000000000000000 ] # a - [ -6.265411450000000, 10.852010950000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.429602290000000 ] # c points: - symbol: Cs # 1 coordinates: [ 0.000000000000000, 0.364883310000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.000000000000000, 0.696828080000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 2 - symbol: Cs # 3 coordinates: [ 0.696828080000000, 0.000000000000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 3 - symbol: Cs # 4 coordinates: [ 0.303171920000000, 0.303171920000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 4 - symbol: Cs # 5 coordinates: [ 0.635116690000000, 0.635116690000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 6 coordinates: [ 0.364883310000000, 0.000000000000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 6 - symbol: Ba # 7 coordinates: [ 0.000000000000000, 0.705396160000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 8 coordinates: [ 0.629747900000000, 0.629747900000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 8 - symbol: Ba # 9 coordinates: [ 0.000000000000000, 0.370252100000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.705396160000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 10 - symbol: Ba # 11 coordinates: [ 0.370252100000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 12 coordinates: [ 0.294603840000000, 0.294603840000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 12 - symbol: B # 13 coordinates: [ 0.373596810000000, 0.577965420000000, 0.288087910000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.268241040000000, 0.534683300000000, 0.710384050000000 ] mass: 10.811000 reduced_to: 14 - symbol: B # 15 coordinates: [ 0.911506860000000, 0.870125170000000, 0.715959220000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 16 coordinates: [ 0.795631390000000, 0.422034580000000, 0.711912090000000 ] mass: 10.811000 reduced_to: 16 - symbol: B # 17 coordinates: [ 0.422034580000000, 0.795631390000000, 0.288087910000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 18 coordinates: [ 0.266442260000000, 0.731758960000000, 0.710384050000000 ] mass: 10.811000 reduced_to: 18 - symbol: B # 19 coordinates: [ 0.958618310000000, 0.088493140000000, 0.715959220000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 20 coordinates: [ 0.733557740000000, 0.465316700000000, 0.289615950000000 ] mass: 10.811000 reduced_to: 20 - symbol: B # 21 coordinates: [ 0.465316700000000, 0.733557740000000, 0.710384050000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 22 coordinates: [ 0.129874830000000, 0.041381690000000, 0.715959220000000 ] mass: 10.811000 reduced_to: 22 - symbol: B # 23 coordinates: [ 0.870125170000000, 0.911506860000000, 0.284040780000000 ] mass: 10.811000 reduced_to: 23 - symbol: B # 24 coordinates: [ 0.626403190000000, 0.204368610000000, 0.711912090000000 ] mass: 10.811000 reduced_to: 24 - symbol: B # 25 coordinates: [ 0.088493140000000, 0.958618310000000, 0.284040780000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 26 coordinates: [ 0.731758960000000, 0.266442260000000, 0.289615950000000 ] mass: 10.811000 reduced_to: 26 - symbol: B # 27 coordinates: [ 0.577965420000000, 0.373596810000000, 0.711912090000000 ] mass: 10.811000 reduced_to: 27 - symbol: B # 28 coordinates: [ 0.041381690000000, 0.129874830000000, 0.284040780000000 ] mass: 10.811000 reduced_to: 28 - symbol: B # 29 coordinates: [ 0.204368610000000, 0.626403190000000, 0.288087910000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 30 coordinates: [ 0.534683300000000, 0.268241040000000, 0.289615950000000 ] mass: 10.811000 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.458511270000000, 0.706014260000000, 0.285184790000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.501294140000000, 0.916038360000000, 0.294038390000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.040479920000000, 0.915292060000000, 0.719849870000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.204757590000000, 0.412399870000000, 0.703808750000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.752497010000000, 0.293985740000000, 0.714815210000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.083961640000000, 0.585255760000000, 0.294038390000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.585255760000000, 0.083961640000000, 0.705961610000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.414744240000000, 0.498705860000000, 0.294038390000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.915292060000000, 0.040479920000000, 0.280150130000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.412399870000000, 0.204757590000000, 0.296191250000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.085344500000000, 0.250219490000000, 0.293659250000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.602022380000000, 0.205290510000000, 0.286482570000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.792357720000000, 0.587600130000000, 0.296191250000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.084707940000000, 0.125187840000000, 0.719849870000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.603268120000000, 0.397977620000000, 0.286482570000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.706014260000000, 0.458511270000000, 0.714815210000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.541488730000000, 0.247502990000000, 0.714815210000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.749780510000000, 0.835125020000000, 0.293659250000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.959520080000000, 0.874812160000000, 0.280150130000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.396731880000000, 0.794709490000000, 0.713517430000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.794709490000000, 0.396731880000000, 0.286482570000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.205290510000000, 0.602022380000000, 0.713517430000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.795242410000000, 0.207642280000000, 0.296191250000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.207642280000000, 0.795242410000000, 0.703808750000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.125187840000000, 0.084707940000000, 0.280150130000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.587600130000000, 0.792357720000000, 0.703808750000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.916038360000000, 0.501294140000000, 0.705961610000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.914655500000000, 0.164874980000000, 0.706340750000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.498705860000000, 0.414744240000000, 0.705961610000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.397977620000000, 0.603268120000000, 0.713517430000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.835125020000000, 0.749780510000000, 0.706340750000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.874812160000000, 0.959520080000000, 0.719849870000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.293985740000000, 0.752497010000000, 0.285184790000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.247502990000000, 0.541488730000000, 0.285184790000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.164874980000000, 0.914655500000000, 0.293659250000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.250219490000000, 0.085344500000000, 0.706340750000000 ] mass: 15.999400 reduced_to: 66supercell: lattice: - [ 12.530822880000001, 0.000000000000000, 0.000000000000000 ] # a - [ -6.265411450000000, 10.852010950000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.859204580000000 ] # c points: - symbol: Cs # 1 coordinates: [ 0.000000000000000, 0.364883310000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.000000000000000, 0.364883310000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 3 coordinates: [ 0.000000000000000, 0.696828080000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 3 - symbol: Cs # 4 coordinates: [ 0.000000000000000, 0.696828080000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 3 - symbol: Cs # 5 coordinates: [ 0.696828080000000, 0.000000000000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 6 coordinates: [ 0.696828080000000, 0.000000000000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 7 coordinates: [ 0.303171920000000, 0.303171920000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 8 coordinates: [ 0.303171920000000, 0.303171920000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 9 coordinates: [ 0.635116690000000, 0.635116690000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 10 coordinates: [ 0.635116690000000, 0.635116690000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 11 coordinates: [ 0.364883310000000, 0.000000000000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 11 - symbol: Cs # 12 coordinates: [ 0.364883310000000, 0.000000000000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 11 - symbol: Ba # 13 coordinates: [ 0.000000000000000, 0.705396160000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 14 coordinates: [ 0.000000000000000, 0.705396160000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 15 coordinates: [ 0.629747900000000, 0.629747900000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 16 coordinates: [ 0.629747900000000, 0.629747900000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 17 coordinates: [ 0.000000000000000, 0.370252100000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 18 coordinates: [ 0.000000000000000, 0.370252100000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 19 coordinates: [ 0.705396160000000, 0.000000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 20 coordinates: [ 0.705396160000000, 0.000000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 21 coordinates: [ 0.370252100000000, 0.000000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 21 - symbol: Ba # 22 coordinates: [ 0.370252100000000, 0.000000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 21 - symbol: Ba # 23 coordinates: [ 0.294603840000000, 0.294603840000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 23 - symbol: Ba # 24 coordinates: [ 0.294603840000000, 0.294603840000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 23 - symbol: B # 25 coordinates: [ 0.373596810000000, 0.577965420000000, 0.144043955000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 26 coordinates: [ 0.373596810000000, 0.577965420000000, 0.644043955000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 27 coordinates: [ 0.268241040000000, 0.534683300000000, 0.355192025000000 ] mass: 10.811000 reduced_to: 27 - symbol: B # 28 coordinates: [ 0.268241040000000, 0.534683300000000, 0.855192025000000 ] mass: 10.811000 reduced_to: 27 - symbol: B # 29 coordinates: [ 0.911506860000000, 0.870125170000000, 0.357979610000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 30 coordinates: [ 0.911506860000000, 0.870125170000000, 0.857979610000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 31 coordinates: [ 0.795631390000000, 0.422034580000000, 0.355956045000000 ] mass: 10.811000 reduced_to: 31 - symbol: B # 32 coordinates: [ 0.795631390000000, 0.422034580000000, 0.855956045000000 ] mass: 10.811000 reduced_to: 31 - symbol: B # 33 coordinates: [ 0.422034580000000, 0.795631390000000, 0.144043955000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 34 coordinates: [ 0.422034580000000, 0.795631390000000, 0.644043955000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 35 coordinates: [ 0.266442260000000, 0.731758960000000, 0.355192025000000 ] mass: 10.811000 reduced_to: 35 - symbol: B # 36 coordinates: [ 0.266442260000000, 0.731758960000000, 0.855192025000000 ] mass: 10.811000 reduced_to: 35 - symbol: B # 37 coordinates: [ 0.958618310000000, 0.088493140000000, 0.357979610000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 38 coordinates: [ 0.958618310000000, 0.088493140000000, 0.857979610000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 39 coordinates: [ 0.733557740000000, 0.465316700000000, 0.144807975000000 ] mass: 10.811000 reduced_to: 39 - symbol: B # 40 coordinates: [ 0.733557740000000, 0.465316700000000, 0.644807975000000 ] mass: 10.811000 reduced_to: 39 - symbol: B # 41 coordinates: [ 0.465316700000000, 0.733557740000000, 0.355192025000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 42 coordinates: [ 0.465316700000000, 0.733557740000000, 0.855192025000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 43 coordinates: [ 0.129874830000000, 0.041381690000000, 0.357979610000000 ] mass: 10.811000 reduced_to: 43 - symbol: B # 44 coordinates: [ 0.129874830000000, 0.041381690000000, 0.857979610000000 ] mass: 10.811000 reduced_to: 43 - symbol: B # 45 coordinates: [ 0.870125170000000, 0.911506860000000, 0.142020390000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 46 coordinates: [ 0.870125170000000, 0.911506860000000, 0.642020390000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 47 coordinates: [ 0.626403190000000, 0.204368610000000, 0.355956045000000 ] mass: 10.811000 reduced_to: 47 - symbol: B # 48 coordinates: [ 0.626403190000000, 0.204368610000000, 0.855956045000000 ] mass: 10.811000 reduced_to: 47 - symbol: B # 49 coordinates: [ 0.088493140000000, 0.958618310000000, 0.142020390000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 50 coordinates: [ 0.088493140000000, 0.958618310000000, 0.642020390000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 51 coordinates: [ 0.731758960000000, 0.266442260000000, 0.144807975000000 ] mass: 10.811000 reduced_to: 51 - symbol: B # 52 coordinates: [ 0.731758960000000, 0.266442260000000, 0.644807975000000 ] mass: 10.811000 reduced_to: 51 - symbol: B # 53 coordinates: [ 0.577965420000000, 0.373596810000000, 0.355956045000000 ] mass: 10.811000 reduced_to: 53 - symbol: B # 54 coordinates: [ 0.577965420000000, 0.373596810000000, 0.855956045000000 ] mass: 10.811000 reduced_to: 53 - symbol: B # 55 coordinates: [ 0.041381690000000, 0.129874830000000, 0.142020390000000 ] mass: 10.811000 reduced_to: 55 - symbol: B # 56 coordinates: [ 0.041381690000000, 0.129874830000000, 0.642020390000000 ] mass: 10.811000 reduced_to: 55 - symbol: B # 57 coordinates: [ 0.204368610000000, 0.626403190000000, 0.144043955000000 ] mass: 10.811000 reduced_to: 57 - symbol: B # 58 coordinates: [ 0.204368610000000, 0.626403190000000, 0.644043955000000 ] mass: 10.811000 reduced_to: 57 - symbol: B # 59 coordinates: [ 0.534683300000000, 0.268241040000000, 0.144807975000000 ] mass: 10.811000 reduced_to: 59 - symbol: B # 60 coordinates: [ 0.534683300000000, 0.268241040000000, 0.644807975000000 ] mass: 10.811000 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.458511270000000, 0.706014260000000, 0.142592395000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.458511270000000, 0.706014260000000, 0.642592395000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.501294140000000, 0.916038360000000, 0.147019195000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.501294140000000, 0.916038360000000, 0.647019195000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.040479920000000, 0.915292060000000, 0.359924935000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.040479920000000, 0.915292060000000, 0.859924935000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.204757590000000, 0.412399870000000, 0.351904375000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.204757590000000, 0.412399870000000, 0.851904375000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.752497010000000, 0.293985740000000, 0.357407605000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.752497010000000, 0.293985740000000, 0.857407605000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.083961640000000, 0.585255760000000, 0.147019195000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.083961640000000, 0.585255760000000, 0.647019195000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.585255760000000, 0.083961640000000, 0.352980805000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.585255760000000, 0.083961640000000, 0.852980805000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.414744240000000, 0.498705860000000, 0.147019195000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.414744240000000, 0.498705860000000, 0.647019195000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.915292060000000, 0.040479920000000, 0.140075065000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.915292060000000, 0.040479920000000, 0.640075065000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.412399870000000, 0.204757590000000, 0.148095625000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.412399870000000, 0.204757590000000, 0.648095625000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.085344500000000, 0.250219490000000, 0.146829625000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.085344500000000, 0.250219490000000, 0.646829625000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.602022380000000, 0.205290510000000, 0.143241285000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.602022380000000, 0.205290510000000, 0.643241285000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.792357720000000, 0.587600130000000, 0.148095625000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.792357720000000, 0.587600130000000, 0.648095625000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.084707940000000, 0.125187840000000, 0.359924935000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.084707940000000, 0.125187840000000, 0.859924935000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.603268120000000, 0.397977620000000, 0.143241285000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.603268120000000, 0.397977620000000, 0.643241285000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.706014260000000, 0.458511270000000, 0.357407605000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.706014260000000, 0.458511270000000, 0.857407605000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.541488730000000, 0.247502990000000, 0.357407605000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.541488730000000, 0.247502990000000, 0.857407605000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.749780510000000, 0.835125020000000, 0.146829625000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.749780510000000, 0.835125020000000, 0.646829625000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.959520080000000, 0.874812160000000, 0.140075065000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.959520080000000, 0.874812160000000, 0.640075065000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.396731880000000, 0.794709490000000, 0.356758715000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.396731880000000, 0.794709490000000, 0.856758715000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.794709490000000, 0.396731880000000, 0.143241285000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.794709490000000, 0.396731880000000, 0.643241285000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.205290510000000, 0.602022380000000, 0.356758715000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.205290510000000, 0.602022380000000, 0.856758715000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.795242410000000, 0.207642280000000, 0.148095625000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.795242410000000, 0.207642280000000, 0.648095625000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.207642280000000, 0.795242410000000, 0.351904375000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.207642280000000, 0.795242410000000, 0.851904375000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 109 coordinates: [ 0.125187840000000, 0.084707940000000, 0.140075065000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.125187840000000, 0.084707940000000, 0.640075065000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.587600130000000, 0.792357720000000, 0.351904375000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.587600130000000, 0.792357720000000, 0.851904375000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 113 coordinates: [ 0.916038360000000, 0.501294140000000, 0.352980805000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.916038360000000, 0.501294140000000, 0.852980805000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.914655500000000, 0.164874980000000, 0.353170375000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.914655500000000, 0.164874980000000, 0.853170375000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 117 coordinates: [ 0.498705860000000, 0.414744240000000, 0.352980805000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.498705860000000, 0.414744240000000, 0.852980805000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.397977620000000, 0.603268120000000, 0.356758715000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.397977620000000, 0.603268120000000, 0.856758715000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 121 coordinates: [ 0.835125020000000, 0.749780510000000, 0.353170375000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.835125020000000, 0.749780510000000, 0.853170375000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.874812160000000, 0.959520080000000, 0.359924935000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.874812160000000, 0.959520080000000, 0.859924935000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 125 coordinates: [ 0.293985740000000, 0.752497010000000, 0.142592395000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.293985740000000, 0.752497010000000, 0.642592395000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 127 coordinates: [ 0.247502990000000, 0.541488730000000, 0.142592395000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.247502990000000, 0.541488730000000, 0.642592395000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 129 coordinates: [ 0.164874980000000, 0.914655500000000, 0.146829625000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.164874980000000, 0.914655500000000, 0.646829625000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 131 coordinates: [ 0.250219490000000, 0.085344500000000, 0.353170375000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.250219490000000, 0.085344500000000, 0.853170375000000 ] mass: 15.999400 reduced_to: 131displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0140825300000000, 0.0011238600000000, 0.0000934100000000 ] - [ -0.0002204000000000, 0.0001115300000000, -0.0000102300000000 ] - [ 0.0001901800000000, -0.0020343000000000, -0.0001084900000000 ] - [ -0.0000957400000000, 0.0000576600000000, 0.0000196100000000 ] - [ -0.0001668400000000, 0.0015461900000000, 0.0001147600000000 ] - [ 0.0001244700000000, 0.0000655800000000, -0.0000300400000000 ] - [ 0.0034505800000000, -0.0007536700000000, 0.0000644400000000 ] - [ 0.0000339900000000, -0.0001415300000000, -0.0000067500000000 ] - [ 0.0005509200000000, -0.0001064100000000, 0.0000148600000000 ] - [ 0.0000557400000000, -0.0001309100000000, -0.0000051200000000 ] - [ 0.0005041600000000, 0.0001328400000000, 0.0000141500000000 ] - [ 0.0002149900000000, 0.0000382000000000, -0.0000027400000000 ] - [ -0.0003701500000000, -0.0005185700000000, -0.0004624700000000 ] - [ -0.0003253400000000, -0.0008978300000000, 0.0006392500000000 ] - [ 0.0006616400000000, -0.0002598300000000, -0.0000162300000000 ] - [ 0.0006059000000000, -0.0003077700000000, -0.0000010500000000 ] - [ -0.0038784700000000, 0.0002691000000000, -0.0001562000000000 ] - [ -0.0039123900000000, 0.0003609600000000, 0.0000634200000000 ] - [ -0.0002038900000000, 0.0009497900000000, -0.0004690200000000 ] - [ -0.0002593900000000, 0.0005307800000000, 0.0002699000000000 ] - [ 0.0005897200000000, 0.0003076900000000, -0.0000699300000000 ] - [ 0.0006875000000000, 0.0003275000000000, 0.0000595300000000 ] - [ 0.0011156700000000, -0.0002912800000000, 0.0010947100000000 ] - [ 0.0011725100000000, -0.0005942400000000, -0.0011328300000000 ] - [ 0.0015957600000000, 0.0014474200000000, 0.0000202000000000 ] - [ -0.0002016000000000, 0.0003760300000000, -0.0005849800000000 ] - [ -0.0000867800000000, -0.0000402700000000, 0.0003847000000000 ] - [ 0.0014135800000000, 0.0043975000000000, -0.0019678700000000 ] - [ 0.0003719100000000, -0.0001185300000000, 0.0005042400000000 ] - [ 0.0003808100000000, -0.0007284400000000, 0.0004337600000000 ] - [ -0.0002986300000000, -0.0004309000000000, 0.0000434600000000 ] - [ 0.0038665700000000, -0.0016743000000000, 0.0030166200000000 ] - [ -0.0000787400000000, 0.0008432400000000, -0.0003004800000000 ] - [ 0.0000015300000000, -0.0000588700000000, -0.0004507700000000 ] - [ -0.0003338600000000, 0.0003881700000000, 0.0002192200000000 ] - [ -0.0009476700000000, 0.0023208600000000, 0.0001485400000000 ] - [ -0.0004806600000000, -0.0005081800000000, 0.0006421100000000 ] - [ -0.0012728700000000, -0.0019831100000000, -0.0004406600000000 ] - [ 0.0033225300000000, -0.0017545100000000, -0.0005213000000000 ] - [ 0.0003004800000000, 0.0001696100000000, 0.0000410600000000 ] - [ 0.0004431700000000, 0.0004123100000000, 0.0002422500000000 ] - [ 0.0008541500000000, 0.0016549900000000, 0.0000802700000000 ] - [ -0.0001702100000000, 0.0000525700000000, 0.0005626300000000 ] - [ 0.0005614100000000, -0.0009015300000000, 0.0004298000000000 ] - [ -0.0001579500000000, -0.0008986700000000, -0.0004425100000000 ] - [ -0.0000881700000000, 0.0002285000000000, -0.0004993100000000 ] - [ 0.0003110400000000, 0.0005585900000000, 0.0001781400000000 ] - [ 0.0028477500000000, 0.0031134600000000, 0.0007572200000000 ] - [ 0.0003110400000000, -0.0018240700000000, -0.0004392900000000 ] - [ -0.0001202000000000, -0.0006484100000000, -0.0005062300000000 ] - [ 0.0038070800000000, 0.0024513200000000, -0.0028837900000000 ] - [ 0.0001602100000000, 0.0001881500000000, 0.0001613200000000 ] - [ 0.0009295900000000, -0.0002785000000000, 0.0002767500000000 ] - [ 0.0028419000000000, -0.0003207200000000, 0.0005520500000000 ] - [ 0.0011692400000000, -0.0044474700000000, 0.0005567400000000 ] - [ 0.0003573600000000, -0.0003421200000000, -0.0005863000000000 ] - [ -0.0030108900000000, 0.0021178300000000, 0.0005507600000000 ] - [ -0.0001920300000000, 0.0003029300000000, -0.0005595400000000 ] - [ 0.0020869500000000, 0.0004078700000000, -0.0003322100000000 ] - [ 0.0003398300000000, 0.0000322100000000, -0.0000629500000000 ] - [ -0.0002549700000000, -0.0012597000000000, 0.0003539600000000 ] - [ -0.0000634500000000, -0.0002768900000000, 0.0004477300000000 ] - [ 0.0001296100000000, -0.0006411300000000, 0.0003426000000000 ] - [ 0.0002840100000000, -0.0000665100000000, 0.0002881900000000 ] - [ 0.0002517800000000, -0.0001398900000000, -0.0000438800000000 ] - [ 0.0002610100000000, 0.0005642700000000, -0.0001031900000000 ] - [ 0.0002944500000000, 0.0002226700000000, -0.0004886100000000 ] - [ 0.0010084600000000, -0.0004223900000000, 0.0007761400000000 ] - [ -0.0001855100000000, 0.0000736900000000, -0.0000717700000000 ] - [ -0.0019747200000000, -0.0012633400000000, -0.0019542000000000 ] - [ 0.0021533000000000, 0.0003047300000000, 0.0003709000000000 ] - [ 0.0001685700000000, 0.0001817100000000, 0.0002449900000000 ] - [ 0.0002194100000000, -0.0003462500000000, -0.0001342500000000 ] - [ -0.0001492600000000, -0.0017495300000000, -0.0007081700000000 ] - [ -0.0009785600000000, -0.0007283800000000, -0.0002942200000000 ] - [ -0.0001413500000000, -0.0004876200000000, 0.0004908800000000 ] - [ 0.0004868000000000, 0.0020295600000000, -0.0000878900000000 ] - [ -0.0002645200000000, 0.0001734600000000, 0.0000652700000000 ] - [ -0.0012657200000000, -0.0001149800000000, 0.0000457000000000 ] - [ -0.0002009300000000, 0.0001656400000000, 0.0003348200000000 ] - [ 0.0013745200000000, -0.0000840300000000, 0.0000823600000000 ] - [ -0.0001469100000000, -0.0003052400000000, 0.0002613600000000 ] - [ -0.0019584000000000, -0.0002464000000000, 0.0007349000000000 ] - [ -0.0001252400000000, 0.0003034100000000, 0.0002026400000000 ] - [ -0.0008133100000000, 0.0010254800000000, 0.0006744900000000 ] - [ -0.0001033800000000, -0.0002106600000000, 0.0000736100000000 ] - [ 0.0003302700000000, 0.0005026100000000, -0.0002469300000000 ] - [ 0.0000421200000000, 0.0014694900000000, 0.0007644100000000 ] - [ -0.0013022200000000, -0.0005879300000000, 0.0004007800000000 ] - [ 0.0000647800000000, -0.0003748300000000, 0.0003013200000000 ] - [ -0.0002558300000000, -0.0001288300000000, -0.0002040100000000 ] - [ -0.0023164500000000, -0.0000204800000000, -0.0007310400000000 ] - [ -0.0001100100000000, 0.0001344100000000, -0.0002986500000000 ] - [ -0.0014738700000000, 0.0000860900000000, -0.0004186100000000 ] - [ 0.0009293800000000, 0.0003385000000000, 0.0000839800000000 ] - [ 0.0005876700000000, -0.0000895200000000, 0.0000670400000000 ] - [ 0.0001345600000000, 0.0003780300000000, 0.0000995600000000 ] - [ 0.0001849100000000, -0.0001688600000000, 0.0000040600000000 ] - [ 0.0001266000000000, -0.0004690200000000, -0.0004001600000000 ] - [ 0.0000701000000000, -0.0011537200000000, -0.0003408800000000 ] - [ -0.0025005000000000, 0.0006195500000000, 0.0020422900000000 ] - [ -0.0004024100000000, -0.0001799500000000, 0.0000663700000000 ] - [ 0.0004457600000000, 0.0000823700000000, -0.0004404800000000 ] - [ 0.0015996700000000, -0.0021570300000000, 0.0001628800000000 ] - [ 0.0009172800000000, -0.0007595800000000, 0.0013396800000000 ] - [ -0.0000208100000000, 0.0000570300000000, 0.0000766100000000 ] - [ 0.0004655600000000, -0.0002603600000000, -0.0001961600000000 ] - [ 0.0012416200000000, -0.0007916400000000, -0.0002902300000000 ] - [ -0.0007988300000000, 0.0020333700000000, -0.0002532300000000 ] - [ 0.0001628200000000, 0.0005880300000000, 0.0001572100000000 ] - [ -0.0004518100000000, -0.0003640300000000, -0.0001615300000000 ] - [ -0.0008868200000000, -0.0008490100000000, -0.0002995500000000 ] - [ 0.0002507900000000, 0.0004190000000000, -0.0001013900000000 ] - [ 0.0007001900000000, 0.0012490900000000, -0.0015760600000000 ] - [ 0.0008964800000000, 0.0000837400000000, -0.0001082400000000 ] - [ 0.0023098300000000, 0.0001817100000000, 0.0000180800000000 ] - [ -0.0007774100000000, -0.0002059700000000, -0.0003897200000000 ] - [ -0.0020578200000000, -0.0000830400000000, -0.0000589300000000 ] - [ -0.0004166800000000, -0.0001262200000000, -0.0005004900000000 ] - [ -0.0013391200000000, -0.0017830300000000, -0.0000752300000000 ] - [ -0.0003898100000000, 0.0005508800000000, -0.0000504300000000 ] - [ -0.0005296400000000, 0.0009897900000000, -0.0001542100000000 ] - [ -0.0002709200000000, 0.0001294000000000, -0.0000554300000000 ] - [ -0.0001861000000000, 0.0006734300000000, -0.0000092400000000 ] - [ 0.0005552400000000, -0.0007168200000000, 0.0002513700000000 ] - [ 0.0001949700000000, -0.0001714400000000, 0.0004410700000000 ] - [ 0.0005748200000000, -0.0014334100000000, -0.0008021300000000 ] - [ 0.0002403200000000, -0.0000559300000000, 0.0006481200000000 ] - [ -0.0006205900000000, 0.0011183100000000, 0.0001412000000000 ] - [ -0.0002211000000000, 0.0007326200000000, 0.0000033800000000 ] - [ -0.0002784200000000, -0.0003619200000000, -0.0001748400000000 ] - [ -0.0007007200000000, -0.0001167900000000, 0.0001634700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0112183100000000, 0.0003769500000000, -0.0000874100000000 ] - [ 0.0001060900000000, 0.0001121600000000, 0.0000103100000000 ] - [ -0.0003110100000000, 0.0022858500000000, 0.0001095400000000 ] - [ -0.0000339800000000, 0.0001929200000000, -0.0000195500000000 ] - [ 0.0004960000000000, -0.0015519100000000, -0.0001150100000000 ] - [ 0.0001976500000000, -0.0000750000000000, 0.0000299400000000 ] - [ -0.0035379700000000, 0.0004753000000000, -0.0000633500000000 ] - [ -0.0001626000000000, -0.0001275200000000, 0.0000063200000000 ] - [ -0.0006647500000000, -0.0001357300000000, -0.0000150100000000 ] - [ -0.0001707500000000, -0.0001142200000000, 0.0000052000000000 ] - [ -0.0002130900000000, -0.0001459600000000, -0.0000137500000000 ] - [ 0.0000761100000000, -0.0000486600000000, 0.0000024900000000 ] - [ 0.0001745400000000, 0.0008890200000000, 0.0004595500000000 ] - [ 0.0001261400000000, 0.0012689500000000, -0.0006374000000000 ] - [ -0.0008392500000000, -0.0000934400000000, 0.0000181100000000 ] - [ -0.0007827400000000, -0.0000450300000000, -0.0000005300000000 ] - [ 0.0036953600000000, 0.0000721700000000, 0.0001131400000000 ] - [ 0.0037295800000000, -0.0000257600000000, -0.0000221100000000 ] - [ 0.0006675600000000, -0.0009579400000000, 0.0004685100000000 ] - [ 0.0007266100000000, -0.0005393100000000, -0.0002690100000000 ] - [ -0.0001692400000000, -0.0003195800000000, 0.0000711200000000 ] - [ -0.0002674900000000, -0.0003398100000000, -0.0000607900000000 ] - [ -0.0013146300000000, -0.0001025400000000, -0.0010857400000000 ] - [ -0.0013716400000000, 0.0001995500000000, 0.0011241200000000 ] - [ -0.0022027700000000, -0.0011129200000000, -0.0007899800000000 ] - [ -0.0003991500000000, -0.0000518700000000, -0.0001915400000000 ] - [ 0.0000327800000000, -0.0005128300000000, -0.0000360800000000 ] - [ -0.0014694300000000, -0.0049139700000000, 0.0022857500000000 ] - [ 0.0004733900000000, 0.0002932800000000, 0.0004458500000000 ] - [ 0.0004611300000000, 0.0009019300000000, 0.0005161000000000 ] - [ -0.0003112000000000, 0.0000770100000000, 0.0007344300000000 ] - [ -0.0044865100000000, 0.0013463000000000, -0.0022834400000000 ] - [ 0.0001129700000000, -0.0015734900000000, -0.0004765000000000 ] - [ 0.0000383500000000, -0.0006700200000000, -0.0003256200000000 ] - [ -0.0000753900000000, -0.0000605100000000, 0.0001290100000000 ] - [ 0.0005359700000000, -0.0019964900000000, 0.0002016400000000 ] - [ 0.0002616500000000, -0.0003017500000000, 0.0003082700000000 ] - [ 0.0010305700000000, 0.0011788100000000, 0.0013910300000000 ] - [ -0.0033910700000000, 0.0022959500000000, 0.0001782600000000 ] - [ -0.0003614800000000, 0.0003675500000000, -0.0003899500000000 ] - [ 0.0000903900000000, -0.0002205700000000, 0.0001068000000000 ] - [ -0.0003209200000000, -0.0014576300000000, 0.0002686600000000 ] - [ -0.0003705100000000, 0.0005439400000000, 0.0003881900000000 ] - [ -0.0011008900000000, 0.0014935900000000, 0.0005203100000000 ] - [ -0.0000738200000000, 0.0016948800000000, -0.0005083400000000 ] - [ -0.0001437500000000, 0.0005686500000000, -0.0004515400000000 ] - [ -0.0002706700000000, 0.0001508600000000, 0.0005986500000000 ] - [ -0.0028156200000000, -0.0024103900000000, 0.0000146100000000 ] - [ -0.0008635400000000, 0.0012012900000000, -0.0005118400000000 ] - [ -0.0004358400000000, 0.0000321800000000, -0.0004453000000000 ] - [ -0.0032806400000000, -0.0026889700000000, 0.0025763800000000 ] - [ 0.0003721000000000, -0.0004014700000000, -0.0005109200000000 ] - [ -0.0003097500000000, -0.0001005800000000, 0.0005002400000000 ] - [ -0.0022204600000000, -0.0000585400000000, 0.0002244800000000 ] - [ -0.0003443200000000, 0.0042370800000000, -0.0014941400000000 ] - [ 0.0004690700000000, 0.0001518300000000, -0.0003637700000000 ] - [ 0.0036107900000000, -0.0017634800000000, -0.0013333800000000 ] - [ 0.0008244300000000, 0.0000614000000000, -0.0002168300000000 ] - [ -0.0024995200000000, -0.0007537600000000, -0.0000157700000000 ] - [ -0.0007524400000000, -0.0003759000000000, -0.0002867200000000 ] - [ 0.0000545300000000, 0.0011280700000000, 0.0004010400000000 ] - [ -0.0001412800000000, 0.0001485200000000, 0.0003087600000000 ] - [ 0.0004594900000000, 0.0009473400000000, 0.0002320500000000 ] - [ 0.0003024900000000, 0.0003693100000000, 0.0002860300000000 ] - [ 0.0001136300000000, -0.0005578500000000, -0.0000258000000000 ] - [ 0.0001070200000000, -0.0012610100000000, 0.0000330900000000 ] - [ -0.0001893300000000, 0.0004696100000000, 0.0000263400000000 ] - [ -0.0008415500000000, 0.0011288000000000, -0.0012927600000000 ] - [ -0.0000219700000000, 0.0000318800000000, -0.0006836900000000 ] - [ 0.0017447900000000, 0.0013678500000000, 0.0011852800000000 ] - [ -0.0026922700000000, 0.0000308600000000, 0.0002152700000000 ] - [ -0.0007169500000000, 0.0001450700000000, 0.0003278600000000 ] - [ 0.0003742600000000, 0.0000105800000000, -0.0004377000000000 ] - [ 0.0007434700000000, 0.0014168800000000, 0.0001373800000000 ] - [ 0.0009731800000000, 0.0000591100000000, 0.0008600500000000 ] - [ 0.0001339300000000, -0.0001760600000000, 0.0000827000000000 ] - [ -0.0012309700000000, -0.0020772200000000, 0.0001584700000000 ] - [ -0.0004836800000000, -0.0002294600000000, 0.0000039600000000 ] - [ 0.0018516200000000, 0.0005279600000000, 0.0004118400000000 ] - [ 0.0007878900000000, 0.0002457300000000, 0.0001280200000000 ] - [ -0.0020548300000000, -0.0007558200000000, 0.0001202400000000 ] - [ -0.0005765500000000, -0.0005001000000000, -0.0001125900000000 ] - [ 0.0021613300000000, 0.0009619300000000, 0.0000075200000000 ] - [ 0.0003346500000000, 0.0004114400000000, 0.0005462100000000 ] - [ 0.0009160800000000, -0.0017294600000000, -0.0002142700000000 ] - [ 0.0002047100000000, -0.0004888000000000, 0.0003885600000000 ] - [ 0.0001041900000000, 0.0001439600000000, 0.0001772700000000 ] - [ 0.0003998700000000, -0.0008169700000000, -0.0008272100000000 ] - [ 0.0018532000000000, 0.0000481000000000, 0.0003482700000000 ] - [ 0.0004879800000000, -0.0001651300000000, 0.0004504200000000 ] - [ 0.0002842800000000, -0.0001340100000000, -0.0005524000000000 ] - [ 0.0023413800000000, -0.0002466200000000, -0.0000180800000000 ] - [ 0.0003368200000000, -0.0000046400000000, -0.0004580200000000 ] - [ 0.0017028400000000, 0.0000455300000000, -0.0003350300000000 ] - [ 0.0001574500000000, -0.0005959000000000, 0.0000655400000000 ] - [ 0.0004990000000000, -0.0001678500000000, 0.0000827800000000 ] - [ 0.0003204600000000, -0.0010377100000000, -0.0000304800000000 ] - [ 0.0002686400000000, -0.0004933500000000, 0.0000648200000000 ] - [ 0.0000689700000000, -0.0002669500000000, -0.0003475400000000 ] - [ 0.0001270300000000, 0.0004192400000000, -0.0004074500000000 ] - [ 0.0017794200000000, -0.0008435100000000, -0.0012804100000000 ] - [ -0.0002935000000000, -0.0000430500000000, 0.0006825900000000 ] - [ 0.0001104600000000, 0.0004346600000000, -0.0003065900000000 ] - [ -0.0010286900000000, 0.0026688300000000, -0.0009186700000000 ] - [ -0.0015751100000000, 0.0010247700000000, -0.0008424500000000 ] - [ -0.0005993800000000, 0.0002262500000000, 0.0003859500000000 ] - [ 0.0001259200000000, -0.0001534700000000, -0.0002670900000000 ] - [ -0.0006487600000000, 0.0003778900000000, -0.0001746200000000 ] - [ 0.0011804100000000, -0.0013488000000000, 0.0003177500000000 ] - [ 0.0002184200000000, 0.0000885900000000, -0.0000873000000000 ] - [ -0.0001651900000000, 0.0000780600000000, -0.0003024600000000 ] - [ 0.0002701500000000, 0.0005604100000000, -0.0001645100000000 ] - [ -0.0002453400000000, 0.0002188200000000, -0.0004704300000000 ] - [ -0.0007457000000000, -0.0006022100000000, 0.0009608400000000 ] - [ 0.0001888100000000, 0.0001547300000000, -0.0000409000000000 ] - [ -0.0012200200000000, 0.0000622900000000, -0.0001652200000000 ] - [ 0.0002477800000000, -0.0001557300000000, -0.0001825800000000 ] - [ 0.0015245800000000, -0.0002807300000000, -0.0005083100000000 ] - [ -0.0002869400000000, 0.0003126800000000, -0.0002507900000000 ] - [ 0.0006352800000000, 0.0019613700000000, -0.0006703700000000 ] - [ -0.0003377500000000, 0.0002368100000000, -0.0000995700000000 ] - [ -0.0001966100000000, -0.0001986800000000, 0.0000045400000000 ] - [ -0.0004906500000000, -0.0000895900000000, -0.0000138100000000 ] - [ -0.0005701300000000, -0.0006404600000000, -0.0000603800000000 ] - [ -0.0003129100000000, 0.0005738600000000, 0.0005040200000000 ] - [ 0.0000385200000000, 0.0000251100000000, 0.0003149600000000 ] - [ -0.0005059400000000, 0.0016793500000000, 0.0015695800000000 ] - [ -0.0002015900000000, 0.0002962000000000, 0.0001078100000000 ] - [ 0.0003271200000000, -0.0000787400000000, 0.0000077800000000 ] - [ -0.0000698300000000, 0.0003038400000000, 0.0001459400000000 ] - [ -0.0000139400000000, -0.0006906800000000, 0.0000235000000000 ] - [ 0.0004065600000000, -0.0009335900000000, -0.0003112800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000933800000000, 0.0003702400000000, -0.0282343700000000 ] - [ -0.0000770500000000, 0.0001094300000000, 0.0013780500000000 ] - [ -0.0001567000000000, 0.0000718200000000, -0.0020698400000000 ] - [ -0.0000546700000000, 0.0001413600000000, 0.0008770700000000 ] - [ 0.0002375000000000, -0.0000832600000000, -0.0020108500000000 ] - [ 0.0001278500000000, 0.0000193400000000, 0.0008802300000000 ] - [ -0.0001128900000000, -0.0000131100000000, -0.0020111800000000 ] - [ -0.0000665600000000, -0.0001619400000000, 0.0008802100000000 ] - [ -0.0000819100000000, -0.0001113700000000, -0.0009863200000000 ] - [ -0.0000620000000000, -0.0001189700000000, 0.0007081800000000 ] - [ 0.0001342600000000, -0.0000182900000000, -0.0009861100000000 ] - [ 0.0001380300000000, 0.0000031400000000, 0.0007079800000000 ] - [ -0.0007876300000000, 0.0011673600000000, 0.0007692600000000 ] - [ 0.0003956200000000, -0.0008837100000000, 0.0007743000000000 ] - [ -0.0000786700000000, -0.0000369100000000, 0.0003223300000000 ] - [ -0.0001547300000000, -0.0002910800000000, 0.0002912400000000 ] - [ -0.0002703300000000, 0.0006554900000000, 0.0115152100000000 ] - [ 0.0002280000000000, -0.0002090100000000, 0.0113415000000000 ] - [ -0.0000884900000000, -0.0012779000000000, 0.0008544800000000 ] - [ 0.0007855800000000, 0.0011126700000000, 0.0008348300000000 ] - [ 0.0000708400000000, 0.0000092200000000, 0.0002886100000000 ] - [ 0.0003290400000000, -0.0000524400000000, 0.0003250500000000 ] - [ 0.0011419900000000, -0.0002632800000000, 0.0008332700000000 ] - [ -0.0013667800000000, 0.0001766400000000, 0.0008565100000000 ] - [ 0.0027438500000000, 0.0008589300000000, -0.0005388400000000 ] - [ -0.0008836900000000, -0.0000152400000000, -0.0000922300000000 ] - [ 0.0003033700000000, 0.0003943200000000, 0.0005735000000000 ] - [ -0.0031277000000000, -0.0039092200000000, 0.0011664800000000 ] - [ 0.0005681600000000, -0.0000998600000000, 0.0006489200000000 ] - [ -0.0002005300000000, 0.0010028300000000, 0.0003657000000000 ] - [ -0.0009913100000000, -0.0002848700000000, 0.0007971100000000 ] - [ 0.0040085900000000, -0.0005411600000000, 0.0012457400000000 ] - [ 0.0006579400000000, 0.0005460100000000, -0.0004848300000000 ] - [ -0.0001845400000000, -0.0005185000000000, -0.0001843800000000 ] - [ -0.0002398000000000, 0.0007704500000000, 0.0004479600000000 ] - [ 0.0001823700000000, -0.0029704900000000, 0.0000154600000000 ] - [ 0.0004675100000000, -0.0010554700000000, 0.0008207400000000 ] - [ -0.0032326200000000, 0.0037797800000000, 0.0008865800000000 ] - [ -0.0025607800000000, 0.0021890100000000, -0.0003349100000000 ] - [ 0.0004647600000000, -0.0000484800000000, 0.0001001500000000 ] - [ 0.0003525100000000, 0.0003636200000000, 0.0003705500000000 ] - [ -0.0004513800000000, -0.0009288300000000, 0.0000932400000000 ] - [ 0.0000538000000000, 0.0001040100000000, 0.0006751200000000 ] - [ -0.0017058700000000, 0.0011358800000000, 0.0003367100000000 ] - [ -0.0001142600000000, -0.0012514600000000, -0.0006147600000000 ] - [ -0.0001286600000000, 0.0007890200000000, -0.0002752900000000 ] - [ -0.0004362400000000, -0.0000523800000000, 0.0006832500000000 ] - [ 0.0021358300000000, 0.0026548000000000, 0.0002390300000000 ] - [ 0.0001954400000000, -0.0012929300000000, -0.0005867600000000 ] - [ -0.0003771800000000, -0.0000749100000000, -0.0003016000000000 ] - [ -0.0044578900000000, -0.0009693900000000, 0.0008215100000000 ] - [ 0.0009971400000000, -0.0001416600000000, 0.0002251900000000 ] - [ 0.0000636200000000, -0.0002761100000000, 0.0005915500000000 ] - [ 0.0014102900000000, -0.0000774200000000, 0.0002936600000000 ] - [ 0.0024820700000000, -0.0048973000000000, -0.0000585000000000 ] - [ 0.0001326700000000, 0.0007331500000000, -0.0001292900000000 ] - [ 0.0021452000000000, 0.0041292900000000, 0.0004704400000000 ] - [ -0.0001228300000000, -0.0003395900000000, 0.0000205600000000 ] - [ -0.0014617700000000, -0.0002698600000000, -0.0002571800000000 ] - [ 0.0000577000000000, -0.0002176800000000, 0.0000219000000000 ] - [ -0.0008776600000000, -0.0009438700000000, 0.0005588500000000 ] - [ 0.0000604300000000, 0.0000982300000000, 0.0001798900000000 ] - [ 0.0001380000000000, -0.0003735900000000, 0.0007042400000000 ] - [ 0.0002119500000000, 0.0002314700000000, -0.0002536000000000 ] - [ 0.0000913200000000, -0.0002658900000000, -0.0002574600000000 ] - [ 0.0005250600000000, -0.0008925500000000, 0.0001654300000000 ] - [ -0.0006184800000000, -0.0000253400000000, -0.0013520300000000 ] - [ 0.0009870900000000, 0.0009079900000000, 0.0005240600000000 ] - [ 0.0003063700000000, 0.0003074500000000, -0.0009211000000000 ] - [ -0.0023240500000000, -0.0014453200000000, -0.0005274000000000 ] - [ -0.0001653500000000, -0.0009129100000000, 0.0009235100000000 ] - [ -0.0002159200000000, 0.0009060000000000, -0.0008014300000000 ] - [ 0.0004529000000000, 0.0000790400000000, -0.0008385200000000 ] - [ -0.0001767100000000, -0.0013949200000000, 0.0000440600000000 ] - [ -0.0013104100000000, -0.0001149200000000, 0.0006189400000000 ] - [ 0.0002785700000000, -0.0003058900000000, -0.0002673700000000 ] - [ -0.0000766800000000, 0.0025125400000000, 0.0001264100000000 ] - [ -0.0004194300000000, -0.0004715500000000, -0.0003361400000000 ] - [ 0.0008840700000000, 0.0005342300000000, 0.0006321500000000 ] - [ 0.0002637400000000, 0.0001106900000000, -0.0002914200000000 ] - [ -0.0003525200000000, -0.0001988400000000, 0.0020343100000000 ] - [ 0.0002271700000000, -0.0010816500000000, -0.0011469800000000 ] - [ 0.0023724400000000, 0.0008408900000000, 0.0004746700000000 ] - [ -0.0003786500000000, 0.0002844200000000, 0.0001550100000000 ] - [ 0.0007206600000000, -0.0015153300000000, 0.0005407800000000 ] - [ -0.0001621100000000, -0.0001414400000000, -0.0002910500000000 ] - [ -0.0002012300000000, 0.0005214900000000, -0.0004050800000000 ] - [ 0.0025493600000000, -0.0006705300000000, 0.0000538000000000 ] - [ 0.0014232000000000, -0.0002743000000000, 0.0005515900000000 ] - [ 0.0000389200000000, -0.0002380900000000, 0.0001827300000000 ] - [ 0.0004628000000000, -0.0001257600000000, -0.0005951200000000 ] - [ -0.0020932000000000, -0.0000238500000000, -0.0002725200000000 ] - [ 0.0003292700000000, 0.0001394800000000, -0.0005753900000000 ] - [ -0.0010419000000000, -0.0001533400000000, -0.0001968000000000 ] - [ 0.0009027500000000, 0.0005858100000000, 0.0004308000000000 ] - [ 0.0004911000000000, -0.0003528700000000, -0.0003811700000000 ] - [ -0.0000808100000000, 0.0002515000000000, 0.0002360300000000 ] - [ 0.0002445500000000, -0.0004376500000000, -0.0001887600000000 ] - [ -0.0000026400000000, -0.0005765200000000, -0.0005656700000000 ] - [ 0.0006577200000000, 0.0006418300000000, -0.0001983400000000 ] - [ 0.0022549200000000, -0.0014321600000000, 0.0001513600000000 ] - [ -0.0008262700000000, 0.0000937300000000, -0.0001463600000000 ] - [ 0.0002071200000000, -0.0002496800000000, -0.0008946000000000 ] - [ 0.0004324300000000, 0.0031852600000000, -0.0006170800000000 ] - [ 0.0005917100000000, 0.0006405600000000, 0.0010565500000000 ] - [ -0.0009688300000000, -0.0002348400000000, -0.0008870300000000 ] - [ 0.0003631800000000, -0.0004841100000000, -0.0007526500000000 ] - [ -0.0003843800000000, 0.0009675500000000, 0.0000749600000000 ] - [ -0.0013828000000000, 0.0020294200000000, 0.0002093400000000 ] - [ 0.0004844300000000, -0.0000242000000000, -0.0002050400000000 ] - [ -0.0004159800000000, -0.0001087100000000, -0.0007534300000000 ] - [ 0.0002624600000000, 0.0002165000000000, 0.0001671700000000 ] - [ 0.0006756200000000, 0.0000089100000000, -0.0013765400000000 ] - [ -0.0009299000000000, 0.0009891900000000, 0.0002898600000000 ] - [ 0.0002345600000000, 0.0009952600000000, -0.0013002300000000 ] - [ 0.0007319200000000, -0.0000563600000000, 0.0017834500000000 ] - [ -0.0002435900000000, -0.0002770700000000, -0.0008255100000000 ] - [ -0.0008077200000000, -0.0000387400000000, 0.0001292300000000 ] - [ -0.0006673900000000, -0.0002790600000000, -0.0005934200000000 ] - [ 0.0011924900000000, 0.0018273600000000, -0.0002724700000000 ] - [ -0.0002875800000000, 0.0004759900000000, -0.0005522500000000 ] - [ -0.0004012400000000, -0.0001089200000000, 0.0002791100000000 ] - [ -0.0005576100000000, 0.0004732200000000, -0.0002736900000000 ] - [ 0.0002862300000000, -0.0021713200000000, 0.0001429700000000 ] - [ -0.0008493500000000, -0.0019400200000000, 0.0004810500000000 ] - [ 0.0003350700000000, 0.0003229300000000, 0.0001598000000000 ] - [ -0.0023948900000000, -0.0010351700000000, 0.0002489700000000 ] - [ 0.0004319500000000, 0.0003592900000000, -0.0001652700000000 ] - [ -0.0006062100000000, 0.0007509000000000, 0.0004315700000000 ] - [ -0.0000405200000000, 0.0005552200000000, -0.0004031900000000 ] - [ -0.0003715100000000, -0.0004439000000000, -0.0005310400000000 ] - [ 0.0006472900000000, -0.0005568900000000, 0.0002783900000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001677300000000, -0.0020456000000000, -0.0000872000000000 ] - [ -0.0001123300000000, 0.0000513900000000, 0.0000205600000000 ] - [ -0.0120498900000000, 0.0009946100000000, -0.0005812700000000 ] - [ -0.0002310900000000, 0.0001473300000000, -0.0000057000000000 ] - [ 0.0006524600000000, -0.0001406300000000, -0.0000017500000000 ] - [ 0.0002280300000000, -0.0000000200000000, -0.0000058000000000 ] - [ 0.0001847400000000, -0.0001128400000000, 0.0000030200000000 ] - [ -0.0000284600000000, -0.0001318400000000, -0.0000040700000000 ] - [ 0.0033864300000000, 0.0005485500000000, 0.0000329600000000 ] - [ 0.0000159800000000, -0.0000974900000000, -0.0000065800000000 ] - [ 0.0009034700000000, 0.0022007200000000, 0.0001182700000000 ] - [ 0.0001048400000000, 0.0000855600000000, -0.0000301100000000 ] - [ -0.0040002600000000, 0.0003010800000000, -0.0001984100000000 ] - [ -0.0039354300000000, 0.0002034800000000, 0.0000681900000000 ] - [ 0.0011328900000000, -0.0000437800000000, -0.0010293500000000 ] - [ 0.0011118900000000, 0.0002498400000000, 0.0010282400000000 ] - [ -0.0003267600000000, -0.0009437400000000, 0.0006611100000000 ] - [ -0.0004159800000000, -0.0005448100000000, -0.0005083100000000 ] - [ 0.0008321400000000, -0.0000594800000000, -0.0001089800000000 ] - [ 0.0007932100000000, -0.0000410900000000, 0.0001095800000000 ] - [ 0.0000725700000000, 0.0007639600000000, 0.0005654500000000 ] - [ 0.0001782000000000, 0.0011311400000000, -0.0007531100000000 ] - [ 0.0001430700000000, -0.0003215200000000, -0.0000196900000000 ] - [ 0.0002010400000000, -0.0003504400000000, 0.0000139500000000 ] - [ 0.0018312300000000, -0.0002650900000000, -0.0003019100000000 ] - [ 0.0001840700000000, -0.0000052100000000, -0.0004760200000000 ] - [ 0.0003270200000000, -0.0003986100000000, 0.0003177900000000 ] - [ 0.0025097700000000, -0.0018341900000000, 0.0000809100000000 ] - [ 0.0003066600000000, -0.0001332100000000, 0.0002899100000000 ] - [ 0.0014039700000000, -0.0045957700000000, 0.0027760700000000 ] - [ -0.0007778300000000, -0.0001408100000000, 0.0002351100000000 ] - [ -0.0025154700000000, 0.0007710600000000, 0.0012018400000000 ] - [ 0.0028348100000000, 0.0006707800000000, -0.0003078800000000 ] - [ 0.0004069200000000, -0.0002750500000000, -0.0005319800000000 ] - [ -0.0002068900000000, 0.0004164000000000, 0.0004765300000000 ] - [ 0.0042106800000000, 0.0005434100000000, -0.0019633300000000 ] - [ 0.0000113800000000, -0.0007264100000000, 0.0004217600000000 ] - [ 0.0002671500000000, -0.0019970900000000, 0.0005927000000000 ] - [ 0.0000499100000000, 0.0046636800000000, -0.0012776100000000 ] - [ -0.0001619700000000, 0.0005374900000000, -0.0000595900000000 ] - [ 0.0008272500000000, 0.0002148800000000, 0.0002550500000000 ] - [ 0.0025775800000000, 0.0002425300000000, 0.0000742500000000 ] - [ -0.0004903600000000, 0.0001138600000000, 0.0004490600000000 ] - [ -0.0017254100000000, -0.0017177600000000, 0.0005214700000000 ] - [ 0.0014734100000000, -0.0012546600000000, -0.0011627600000000 ] - [ -0.0001620900000000, 0.0001832000000000, -0.0002758600000000 ] - [ -0.0000748700000000, 0.0005465500000000, 0.0003544300000000 ] - [ -0.0002463100000000, 0.0010435400000000, 0.0004202300000000 ] - [ -0.0042290200000000, -0.0018374200000000, -0.0012353000000000 ] - [ -0.0008031800000000, -0.0003508200000000, -0.0003563700000000 ] - [ -0.0001045000000000, 0.0011337800000000, -0.0001785200000000 ] - [ 0.0002260700000000, 0.0000469000000000, -0.0001559900000000 ] - [ 0.0003524900000000, 0.0000676000000000, 0.0002815600000000 ] - [ 0.0010776200000000, 0.0010354000000000, 0.0004406300000000 ] - [ 0.0001758000000000, -0.0013404200000000, -0.0005792500000000 ] - [ 0.0003416500000000, -0.0003868600000000, -0.0004288300000000 ] - [ 0.0046895700000000, -0.0010565800000000, 0.0020484700000000 ] - [ 0.0002389400000000, -0.0000483200000000, -0.0006977100000000 ] - [ 0.0001324600000000, 0.0013497800000000, -0.0002066100000000 ] - [ -0.0001263800000000, 0.0001754300000000, -0.0001429000000000 ] - [ -0.0015020000000000, 0.0002962900000000, 0.0004513000000000 ] - [ -0.0003683600000000, 0.0000668100000000, 0.0004080300000000 ] - [ -0.0006572000000000, -0.0007790900000000, 0.0000284900000000 ] - [ 0.0000574900000000, 0.0000623400000000, 0.0003881900000000 ] - [ 0.0003535800000000, -0.0001806100000000, 0.0000305800000000 ] - [ 0.0020633800000000, 0.0014828800000000, -0.0003581000000000 ] - [ -0.0001269000000000, 0.0004867800000000, -0.0003374200000000 ] - [ -0.0006173300000000, 0.0014633800000000, 0.0000350700000000 ] - [ -0.0000135300000000, -0.0000077000000000, -0.0003458600000000 ] - [ 0.0002705500000000, -0.0002452600000000, -0.0003953800000000 ] - [ 0.0017142500000000, -0.0001810700000000, 0.0007293000000000 ] - [ -0.0000290300000000, 0.0001939600000000, 0.0004521000000000 ] - [ 0.0002063500000000, -0.0003170500000000, -0.0002882700000000 ] - [ 0.0000990400000000, -0.0006529600000000, -0.0001910400000000 ] - [ -0.0013045800000000, 0.0000204000000000, 0.0004271700000000 ] - [ -0.0004043500000000, -0.0002848900000000, 0.0002027700000000 ] - [ -0.0004427500000000, 0.0012308800000000, 0.0001014400000000 ] - [ -0.0003312900000000, 0.0001994200000000, -0.0000253000000000 ] - [ -0.0000899400000000, -0.0005338900000000, 0.0001121500000000 ] - [ 0.0002393400000000, -0.0000404000000000, 0.0003056500000000 ] - [ -0.0005795700000000, 0.0004438500000000, -0.0000171500000000 ] - [ -0.0004420000000000, -0.0001453400000000, 0.0000998400000000 ] - [ 0.0001119700000000, -0.0002606300000000, 0.0003318700000000 ] - [ 0.0000792900000000, 0.0002360900000000, 0.0003938600000000 ] - [ 0.0013572900000000, -0.0011193000000000, 0.0007853000000000 ] - [ 0.0002512100000000, -0.0004239500000000, 0.0000536500000000 ] - [ 0.0002325400000000, 0.0004242700000000, -0.0000128900000000 ] - [ 0.0003232900000000, 0.0010803800000000, -0.0000994200000000 ] - [ -0.0004338900000000, -0.0020813400000000, 0.0006110000000000 ] - [ 0.0002438200000000, -0.0004859800000000, 0.0002708300000000 ] - [ 0.0001529400000000, -0.0002865500000000, -0.0001409600000000 ] - [ 0.0002348700000000, -0.0013703800000000, -0.0013207100000000 ] - [ 0.0001742800000000, -0.0001167900000000, -0.0003606500000000 ] - [ 0.0002781000000000, -0.0008057200000000, -0.0003157500000000 ] - [ -0.0004218800000000, 0.0004396200000000, 0.0008048100000000 ] - [ 0.0004316000000000, 0.0000372000000000, -0.0001664300000000 ] - [ 0.0018981400000000, 0.0004926400000000, 0.0004734200000000 ] - [ 0.0004918400000000, -0.0002056000000000, -0.0001579100000000 ] - [ -0.0001798700000000, -0.0003772400000000, -0.0005415500000000 ] - [ -0.0022634000000000, -0.0005535400000000, -0.0000567000000000 ] - [ 0.0008914700000000, -0.0019447000000000, 0.0005244600000000 ] - [ -0.0002219900000000, -0.0002566600000000, 0.0003657000000000 ] - [ 0.0000777500000000, 0.0002837400000000, -0.0006506700000000 ] - [ -0.0021016000000000, 0.0017986700000000, 0.0008817900000000 ] - [ 0.0002516600000000, -0.0000918800000000, 0.0001532300000000 ] - [ -0.0002320600000000, 0.0001872100000000, 0.0002497700000000 ] - [ 0.0005335500000000, -0.0002495300000000, -0.0003998600000000 ] - [ 0.0012817900000000, -0.0003269800000000, 0.0003247100000000 ] - [ 0.0007193700000000, 0.0009260900000000, 0.0001752700000000 ] - [ 0.0002596200000000, 0.0004148900000000, -0.0000092400000000 ] - [ -0.0007340300000000, -0.0001305700000000, -0.0001293200000000 ] - [ -0.0018490300000000, -0.0003045600000000, -0.0004049100000000 ] - [ 0.0003644000000000, 0.0003880800000000, -0.0003110400000000 ] - [ 0.0019099900000000, 0.0003583300000000, -0.0004701000000000 ] - [ 0.0003952200000000, 0.0004590500000000, -0.0001636300000000 ] - [ 0.0000327700000000, 0.0010647200000000, 0.0000442600000000 ] - [ -0.0003983100000000, -0.0003296100000000, -0.0001569500000000 ] - [ -0.0007733200000000, -0.0006121600000000, -0.0005498400000000 ] - [ -0.0006488400000000, 0.0000105200000000, -0.0004034800000000 ] - [ -0.0017963100000000, -0.0000523900000000, -0.0004426400000000 ] - [ -0.0001735900000000, 0.0005252000000000, 0.0001788000000000 ] - [ -0.0000637100000000, 0.0012069600000000, -0.0015960900000000 ] - [ -0.0004409300000000, 0.0002802100000000, 0.0000685400000000 ] - [ -0.0010550400000000, 0.0019838400000000, -0.0003135300000000 ] - [ -0.0025552400000000, -0.0011155600000000, -0.0008778600000000 ] - [ -0.0000855700000000, -0.0000349700000000, 0.0006664700000000 ] - [ -0.0021524700000000, 0.0007694400000000, 0.0000129100000000 ] - [ -0.0002253900000000, 0.0002061100000000, 0.0005494900000000 ] - [ 0.0024704700000000, 0.0003798000000000, 0.0000364400000000 ] - [ 0.0002982500000000, 0.0004920800000000, 0.0001718200000000 ] - [ 0.0000530300000000, -0.0005006400000000, -0.0001208800000000 ] - [ 0.0010702000000000, -0.0002230500000000, 0.0000507000000000 ]- atom: 3 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003231100000000, 0.0022809700000000, 0.0000855900000000 ] - [ -0.0000359400000000, 0.0001872100000000, -0.0000200500000000 ] - [ 0.0136350300000000, -0.0014694400000000, 0.0005261000000000 ] - [ 0.0000687600000000, 0.0001160800000000, 0.0000063100000000 ] - [ -0.0003708500000000, 0.0001496300000000, 0.0000011000000000 ] - [ 0.0000586100000000, 0.0000060000000000, 0.0000060200000000 ] - [ -0.0003454800000000, -0.0001382800000000, -0.0000028500000000 ] - [ -0.0001336500000000, -0.0001206800000000, 0.0000042500000000 ] - [ -0.0035810600000000, -0.0007918200000000, -0.0000338100000000 ] - [ -0.0001654000000000, -0.0001331500000000, 0.0000070100000000 ] - [ -0.0006448000000000, -0.0021822200000000, -0.0001173400000000 ] - [ 0.0001521100000000, -0.0000797700000000, 0.0000303300000000 ] - [ 0.0037656400000000, 0.0000973600000000, 0.0001785200000000 ] - [ 0.0037007200000000, 0.0001887900000000, -0.0000420300000000 ] - [ -0.0013464000000000, -0.0002950600000000, 0.0010396000000000 ] - [ -0.0013250400000000, -0.0005904300000000, -0.0010385300000000 ] - [ 0.0001151900000000, 0.0012906200000000, -0.0006604300000000 ] - [ 0.0002002500000000, 0.0008939100000000, 0.0005083900000000 ] - [ -0.0003901900000000, 0.0000678000000000, 0.0001126900000000 ] - [ -0.0003520200000000, 0.0000490900000000, -0.0001128000000000 ] - [ 0.0003065000000000, -0.0007556100000000, -0.0005624100000000 ] - [ 0.0002030000000000, -0.0011228600000000, 0.0007502300000000 ] - [ -0.0003843400000000, -0.0000698100000000, 0.0000219100000000 ] - [ -0.0004418100000000, -0.0000405800000000, -0.0000161600000000 ] - [ -0.0024659700000000, 0.0006000200000000, -0.0004727000000000 ] - [ -0.0008184300000000, 0.0003424700000000, -0.0002995700000000 ] - [ -0.0004137300000000, -0.0001441600000000, 0.0000300500000000 ] - [ -0.0025871900000000, 0.0012823200000000, 0.0002671400000000 ] - [ 0.0005099400000000, 0.0003428400000000, 0.0006614400000000 ] - [ -0.0005851000000000, 0.0048511500000000, -0.0018578800000000 ] - [ 0.0001330500000000, -0.0001960900000000, 0.0005409500000000 ] - [ 0.0018919800000000, -0.0010960100000000, -0.0004173700000000 ] - [ -0.0028172400000000, -0.0013784600000000, -0.0004686900000000 ] - [ -0.0004009200000000, -0.0004390000000000, -0.0002438500000000 ] - [ -0.0002425400000000, -0.0000707300000000, -0.0001280100000000 ] - [ -0.0046364500000000, -0.0001884900000000, 0.0022767200000000 ] - [ -0.0002452800000000, -0.0000810500000000, 0.0005296400000000 ] - [ -0.0004986800000000, 0.0011965100000000, 0.0003587000000000 ] - [ -0.0001338300000000, -0.0041394100000000, 0.0009383600000000 ] - [ 0.0000680500000000, 0.0000183000000000, -0.0002871700000000 ] - [ -0.0003250800000000, -0.0000062000000000, 0.0000934400000000 ] - [ -0.0020751200000000, -0.0000337800000000, 0.0002726400000000 ] - [ -0.0001016600000000, 0.0004905700000000, 0.0005022200000000 ] - [ 0.0011352600000000, 0.0023211500000000, 0.0004334700000000 ] - [ -0.0017189600000000, 0.0020945700000000, 0.0002183600000000 ] - [ -0.0000853000000000, 0.0006418800000000, -0.0006768900000000 ] - [ 0.0000806800000000, 0.0001799400000000, 0.0004213000000000 ] - [ 0.0002567900000000, -0.0003115000000000, 0.0003559700000000 ] - [ 0.0036384300000000, 0.0012424900000000, 0.0002754100000000 ] - [ 0.0001967100000000, -0.0002431700000000, -0.0005955600000000 ] - [ 0.0006018000000000, -0.0013283400000000, -0.0001694900000000 ] - [ 0.0002720000000000, -0.0002449700000000, -0.0001908400000000 ] - [ 0.0002336200000000, -0.0004331200000000, 0.0004943500000000 ] - [ -0.0004868400000000, -0.0014032100000000, 0.0003350600000000 ] - [ 0.0006243300000000, 0.0011475100000000, -0.0003719800000000 ] - [ 0.0004564000000000, 0.0001915300000000, -0.0005224400000000 ] - [ -0.0040738200000000, 0.0014190000000000, -0.0027872700000000 ] - [ 0.0003583200000000, 0.0004292100000000, -0.0000789100000000 ] - [ -0.0005825700000000, -0.0016847800000000, -0.0001411600000000 ] - [ -0.0003246600000000, -0.0005054900000000, -0.0002047900000000 ] - [ 0.0012586900000000, -0.0004074600000000, 0.0003045300000000 ] - [ 0.0001295900000000, -0.0001789900000000, 0.0003504500000000 ] - [ 0.0012143500000000, 0.0011139600000000, 0.0005427400000000 ] - [ 0.0005011400000000, 0.0002768100000000, 0.0001849500000000 ] - [ -0.0000212800000000, -0.0005034900000000, -0.0001001600000000 ] - [ -0.0017439800000000, -0.0021771400000000, 0.0002868500000000 ] - [ 0.0001958200000000, 0.0002071200000000, -0.0001232700000000 ] - [ 0.0006858500000000, -0.0007638100000000, -0.0004946100000000 ] - [ -0.0002267300000000, 0.0001269700000000, -0.0004117000000000 ] - [ -0.0005177400000000, 0.0003561100000000, -0.0003633100000000 ] - [ -0.0022595100000000, 0.0004768200000000, -0.0000773500000000 ] - [ -0.0005705000000000, 0.0001393800000000, 0.0001189600000000 ] - [ 0.0003599700000000, -0.0000261900000000, -0.0002827900000000 ] - [ 0.0004665200000000, 0.0003054800000000, -0.0003786700000000 ] - [ 0.0012805000000000, -0.0006781500000000, 0.0001402500000000 ] - [ 0.0003780200000000, -0.0003756800000000, 0.0003690800000000 ] - [ -0.0003443900000000, -0.0012737500000000, -0.0000319300000000 ] - [ -0.0004546400000000, -0.0002390000000000, 0.0000960300000000 ] - [ 0.0006322600000000, 0.0009537900000000, 0.0003465300000000 ] - [ 0.0003021900000000, 0.0004598500000000, 0.0001543400000000 ] - [ -0.0001860500000000, -0.0012052000000000, 0.0001661400000000 ] - [ -0.0003234200000000, -0.0006144200000000, 0.0000490600000000 ] - [ 0.0000624400000000, 0.0009876200000000, 0.0004173900000000 ] - [ 0.0000978500000000, 0.0004912000000000, 0.0003554700000000 ] - [ -0.0013303800000000, 0.0004367000000000, -0.0002839600000000 ] - [ -0.0001860500000000, -0.0002460100000000, 0.0004059400000000 ] - [ 0.0001657300000000, 0.0002395300000000, -0.0000570200000000 ] - [ 0.0000732500000000, -0.0004174100000000, 0.0000297200000000 ] - [ 0.0009489500000000, 0.0015645500000000, 0.0001387700000000 ] - [ 0.0002728100000000, -0.0000389900000000, 0.0004818300000000 ] - [ -0.0001563700000000, 0.0000377300000000, -0.0006168600000000 ] - [ -0.0002524500000000, 0.0011240200000000, 0.0005667400000000 ] - [ 0.0000197800000000, 0.0002626400000000, -0.0003971600000000 ] - [ -0.0000840400000000, 0.0009551100000000, -0.0004412700000000 ] - [ 0.0014504600000000, -0.0007100600000000, -0.0006635800000000 ] - [ 0.0005972700000000, -0.0002992800000000, 0.0003175200000000 ] - [ -0.0015061500000000, -0.0011295600000000, -0.0003825800000000 ] - [ -0.0000751600000000, -0.0004429000000000, 0.0002270400000000 ] - [ 0.0003433600000000, -0.0003429500000000, -0.0002088600000000 ] - [ 0.0024254900000000, -0.0001668900000000, -0.0006877300000000 ] - [ -0.0016283800000000, 0.0017411400000000, 0.0002317400000000 ] - [ -0.0005072900000000, 0.0000491900000000, 0.0003834800000000 ] - [ 0.0004422700000000, 0.0002481800000000, -0.0000986200000000 ] - [ 0.0026122100000000, -0.0012582800000000, -0.0016232200000000 ] - [ -0.0008885300000000, 0.0003799700000000, 0.0003081700000000 ] - [ -0.0004061500000000, 0.0001029400000000, 0.0002114900000000 ] - [ 0.0000145600000000, -0.0001434400000000, -0.0000618100000000 ] - [ -0.0006811200000000, -0.0000407900000000, -0.0008444700000000 ] - [ -0.0003749400000000, -0.0002323900000000, -0.0001045700000000 ] - [ 0.0000881600000000, 0.0002782600000000, 0.0000791800000000 ] - [ 0.0000963900000000, -0.0001324100000000, -0.0003342700000000 ] - [ 0.0012142200000000, 0.0000392200000000, -0.0000535000000000 ] - [ -0.0003757600000000, 0.0002767100000000, -0.0002582600000000 ] - [ -0.0019268800000000, 0.0003144900000000, -0.0000966000000000 ] - [ 0.0006310300000000, -0.0001833100000000, 0.0000131300000000 ] - [ 0.0009943800000000, -0.0007910800000000, -0.0001942000000000 ] - [ -0.0001855200000000, -0.0000090400000000, -0.0004137600000000 ] - [ 0.0001862600000000, 0.0002760200000000, -0.0000168000000000 ] - [ -0.0000874200000000, 0.0001898700000000, -0.0003493700000000 ] - [ 0.0010568100000000, 0.0002535800000000, -0.0003079000000000 ] - [ -0.0005950800000000, 0.0002487900000000, -0.0003293600000000 ] - [ -0.0007482200000000, -0.0004249400000000, 0.0014192400000000 ] - [ -0.0003575500000000, -0.0002260300000000, -0.0001389900000000 ] - [ 0.0002573500000000, -0.0019401100000000, 0.0002469400000000 ] - [ 0.0027463800000000, 0.0009788100000000, 0.0016239400000000 ] - [ 0.0002869700000000, -0.0000982100000000, 0.0000912000000000 ] - [ 0.0021616400000000, -0.0005106400000000, 0.0007390200000000 ] - [ 0.0002315800000000, 0.0000505000000000, 0.0002086800000000 ] - [ -0.0027686200000000, 0.0006639000000000, 0.0001158600000000 ] - [ -0.0005953900000000, 0.0005512400000000, -0.0000241800000000 ] - [ -0.0003515000000000, -0.0005272800000000, -0.0000298600000000 ] - [ -0.0013690400000000, -0.0008041000000000, -0.0002021800000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001847400000000, 0.0000680400000000, -0.0020751500000000 ] - [ -0.0000495700000000, 0.0001306900000000, 0.0008720400000000 ] - [ -0.0003030700000000, -0.0007525200000000, -0.0309126100000000 ] - [ -0.0000826600000000, 0.0001295700000000, 0.0014605200000000 ] - [ 0.0001392600000000, 0.0000039200000000, -0.0010393200000000 ] - [ 0.0001446300000000, 0.0000105500000000, 0.0007387900000000 ] - [ -0.0000781200000000, -0.0001236700000000, -0.0010390600000000 ] - [ -0.0000720300000000, -0.0001272000000000, 0.0007387600000000 ] - [ -0.0001269000000000, -0.0000178100000000, -0.0020167000000000 ] - [ -0.0000643500000000, -0.0001432500000000, 0.0008752200000000 ] - [ 0.0001795200000000, -0.0001056600000000, -0.0020160900000000 ] - [ 0.0001082800000000, 0.0000259900000000, 0.0008749700000000 ] - [ -0.0003712000000000, 0.0008489600000000, 0.0117100600000000 ] - [ 0.0003008300000000, -0.0003176000000000, 0.0115337900000000 ] - [ -0.0013310600000000, -0.0002777200000000, 0.0008171200000000 ] - [ 0.0010902100000000, 0.0002188900000000, 0.0007856400000000 ] - [ 0.0005026400000000, -0.0011373900000000, 0.0008746700000000 ] - [ -0.0009259000000000, 0.0013379800000000, 0.0008776500000000 ] - [ 0.0000497700000000, 0.0000843800000000, 0.0003296100000000 ] - [ 0.0004146300000000, -0.0000652100000000, 0.0002978700000000 ] - [ 0.0011144600000000, 0.0008472200000000, 0.0007822000000000 ] - [ -0.0005260700000000, -0.0010007900000000, 0.0008204000000000 ] - [ -0.0000908700000000, -0.0000095300000000, 0.0002951600000000 ] - [ -0.0001441100000000, -0.0004000400000000, 0.0003326000000000 ] - [ 0.0009069800000000, 0.0000878100000000, -0.0005064600000000 ] - [ -0.0005900400000000, 0.0001461000000000, -0.0002037700000000 ] - [ 0.0003295200000000, -0.0005763900000000, 0.0003977600000000 ] - [ -0.0016724600000000, 0.0010662500000000, -0.0000060700000000 ] - [ 0.0000457900000000, 0.0007509300000000, 0.0008925100000000 ] - [ 0.0038039500000000, -0.0033917200000000, 0.0015577200000000 ] - [ -0.0008432100000000, -0.0008547500000000, 0.0007443500000000 ] - [ 0.0023483500000000, 0.0045105600000000, 0.0011820300000000 ] - [ 0.0018157600000000, 0.0006787900000000, -0.0005665900000000 ] - [ -0.0004062500000000, -0.0005609700000000, -0.0001576000000000 ] - [ 0.0005612300000000, -0.0000585700000000, 0.0005302600000000 ] - [ -0.0050124900000000, 0.0009125600000000, 0.0007347100000000 ] - [ -0.0001790200000000, -0.0001450500000000, 0.0006723600000000 ] - [ 0.0005427000000000, -0.0015176500000000, 0.0003881700000000 ] - [ -0.0018059200000000, -0.0042306900000000, 0.0003867300000000 ] - [ 0.0001436100000000, 0.0011017800000000, 0.0001876700000000 ] - [ 0.0004998900000000, 0.0000365400000000, 0.0003569000000000 ] - [ -0.0007902400000000, 0.0003294000000000, 0.0000613300000000 ] - [ -0.0002042900000000, 0.0009936400000000, 0.0007798500000000 ] - [ -0.0011115100000000, -0.0033638400000000, 0.0004381200000000 ] - [ -0.0037061100000000, 0.0015511900000000, -0.0005185300000000 ] - [ 0.0005267700000000, 0.0001582900000000, -0.0001734400000000 ] - [ -0.0001495100000000, 0.0001116900000000, 0.0005677000000000 ] - [ 0.0005491200000000, 0.0014396600000000, 0.0002683900000000 ] - [ -0.0016575000000000, 0.0044253300000000, 0.0006036700000000 ] - [ 0.0000565200000000, -0.0009242900000000, -0.0000613400000000 ] - [ 0.0006249000000000, -0.0021981600000000, -0.0003516300000000 ] - [ 0.0002030700000000, 0.0003541400000000, 0.0000552200000000 ] - [ -0.0001133500000000, -0.0004304600000000, 0.0006141400000000 ] - [ 0.0020742100000000, 0.0008752100000000, 0.0002082400000000 ] - [ -0.0002335300000000, 0.0010155600000000, -0.0005672300000000 ] - [ 0.0005948300000000, -0.0002967500000000, -0.0002808800000000 ] - [ 0.0056972500000000, 0.0001583500000000, 0.0004080500000000 ] - [ -0.0005687700000000, 0.0000769700000000, -0.0000277500000000 ] - [ -0.0005812600000000, -0.0011994500000000, -0.0002842700000000 ] - [ -0.0001912500000000, 0.0000629200000000, 0.0000142400000000 ] - [ -0.0008866700000000, -0.0000162600000000, 0.0005498800000000 ] - [ 0.0000436300000000, -0.0000420800000000, 0.0001761300000000 ] - [ -0.0002704800000000, -0.0006582900000000, 0.0006632600000000 ] - [ 0.0004794100000000, 0.0003268700000000, -0.0002209200000000 ] - [ 0.0002620900000000, -0.0009610700000000, -0.0007162400000000 ] - [ 0.0004141300000000, 0.0014780900000000, 0.0004395200000000 ] - [ -0.0001318500000000, 0.0005547300000000, -0.0007307300000000 ] - [ 0.0004477600000000, -0.0004804300000000, 0.0001392900000000 ] - [ 0.0000303100000000, 0.0005577800000000, -0.0006084700000000 ] - [ -0.0007364300000000, -0.0022459500000000, -0.0002995200000000 ] - [ 0.0000994100000000, -0.0004340600000000, 0.0029479400000000 ] - [ 0.0005846600000000, -0.0001503600000000, -0.0009790800000000 ] - [ 0.0001904200000000, -0.0000637800000000, -0.0008081400000000 ] - [ 0.0003467900000000, -0.0007857500000000, 0.0001197200000000 ] - [ -0.0005260000000000, 0.0000452500000000, 0.0006908700000000 ] - [ 0.0000205200000000, -0.0004493500000000, -0.0002409700000000 ] - [ 0.0004425400000000, -0.0011357700000000, 0.0002130800000000 ] - [ -0.0005943200000000, 0.0001941900000000, -0.0001783700000000 ] - [ 0.0006395100000000, 0.0004665500000000, 0.0005999500000000 ] - [ 0.0001845800000000, 0.0002613300000000, -0.0002834100000000 ] - [ -0.0002349300000000, -0.0010562600000000, 0.0004782100000000 ] - [ -0.0003218800000000, -0.0003082900000000, -0.0004676000000000 ] - [ 0.0003708500000000, 0.0011324200000000, 0.0005502700000000 ] - [ 0.0000677600000000, 0.0002142800000000, 0.0001637100000000 ] - [ 0.0004559900000000, 0.0003056900000000, 0.0015224100000000 ] - [ -0.0005836500000000, -0.0010334100000000, -0.0009765500000000 ] - [ 0.0002936000000000, 0.0000777500000000, -0.0002542100000000 ] - [ -0.0003394400000000, 0.0016390800000000, 0.0001383500000000 ] - [ 0.0015180000000000, 0.0015682500000000, 0.0005093900000000 ] - [ -0.0000020200000000, -0.0006680600000000, 0.0001504700000000 ] - [ 0.0004099400000000, 0.0001246500000000, -0.0007925200000000 ] - [ -0.0024773900000000, -0.0015137100000000, -0.0004507500000000 ] - [ 0.0001957700000000, 0.0002119000000000, -0.0005811800000000 ] - [ -0.0002491200000000, -0.0006079000000000, -0.0002082700000000 ] - [ 0.0021079400000000, -0.0000224900000000, 0.0003119600000000 ] - [ 0.0001792100000000, -0.0000938700000000, -0.0005089800000000 ] - [ 0.0019032700000000, -0.0010266400000000, 0.0005515500000000 ] - [ -0.0002657300000000, 0.0000327400000000, -0.0006390600000000 ] - [ -0.0004020100000000, -0.0003859300000000, -0.0005979500000000 ] - [ 0.0022928400000000, -0.0001882200000000, -0.0002389700000000 ] - [ -0.0007735700000000, 0.0025595200000000, 0.0002775300000000 ] - [ -0.0003006200000000, -0.0005503000000000, -0.0000513700000000 ] - [ -0.0000958300000000, 0.0005488000000000, -0.0007988100000000 ] - [ 0.0023579500000000, -0.0014092700000000, -0.0004796300000000 ] - [ -0.0008616900000000, 0.0009362500000000, 0.0005997600000000 ] - [ -0.0002556800000000, -0.0000816700000000, -0.0002740600000000 ] - [ -0.0006130000000000, -0.0004034600000000, -0.0014364100000000 ] - [ 0.0011339800000000, -0.0001306300000000, 0.0009864800000000 ] - [ 0.0010963700000000, -0.0018046700000000, 0.0001491300000000 ] - [ -0.0000221100000000, 0.0007951100000000, -0.0001994000000000 ] - [ -0.0003499700000000, -0.0002532700000000, -0.0007398100000000 ] - [ 0.0000562200000000, 0.0000393700000000, 0.0001397200000000 ] - [ 0.0001524300000000, 0.0012506500000000, -0.0015508100000000 ] - [ -0.0003269900000000, 0.0008463900000000, 0.0022572400000000 ] - [ 0.0005878400000000, 0.0001715000000000, -0.0006205900000000 ] - [ -0.0000164100000000, 0.0006192500000000, 0.0003214100000000 ] - [ -0.0000339500000000, -0.0000794600000000, -0.0007887700000000 ] - [ -0.0012640300000000, -0.0002367400000000, 0.0000918900000000 ] - [ -0.0005131700000000, 0.0001563700000000, -0.0005848200000000 ] - [ 0.0004346500000000, -0.0000407900000000, -0.0001996800000000 ] - [ 0.0002372200000000, 0.0000485200000000, -0.0011749300000000 ] - [ -0.0019927900000000, 0.0007518700000000, 0.0001649300000000 ] - [ -0.0001357900000000, -0.0003793200000000, -0.0002749700000000 ] - [ -0.0018259700000000, 0.0018857300000000, 0.0000747600000000 ] - [ -0.0023460400000000, -0.0015284200000000, 0.0003128900000000 ] - [ 0.0005217600000000, 0.0001582000000000, -0.0000356300000000 ] - [ -0.0023051100000000, 0.0007509200000000, 0.0004560000000000 ] - [ 0.0005074000000000, 0.0000136000000000, 0.0001483800000000 ] - [ -0.0006048500000000, -0.0010307100000000, 0.0003606100000000 ] - [ -0.0001082400000000, 0.0012134700000000, -0.0010194500000000 ] - [ -0.0002626300000000, -0.0008185600000000, -0.0006626200000000 ] - [ 0.0007623300000000, 0.0008154100000000, 0.0001542100000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003527400000000, -0.0009469900000000, -0.0006786500000000 ] - [ -0.0003093500000000, -0.0006201300000000, 0.0005067100000000 ] - [ -0.0039656600000000, 0.0001650800000000, -0.0002235000000000 ] - [ -0.0039012200000000, 0.0001816500000000, 0.0004007300000000 ] - [ 0.0007155600000000, -0.0000473900000000, 0.0001488500000000 ] - [ 0.0008043300000000, -0.0000361800000000, -0.0001604200000000 ] - [ 0.0002453000000000, -0.0002247300000000, 0.0000222900000000 ] - [ 0.0001880600000000, -0.0002538700000000, -0.0000293000000000 ] - [ 0.0011945000000000, -0.0000800600000000, 0.0012562900000000 ] - [ 0.0011374400000000, 0.0003394600000000, -0.0012466500000000 ] - [ 0.0001063000000000, 0.0008092300000000, -0.0006861800000000 ] - [ 0.0000655500000000, 0.0011710200000000, 0.0009523900000000 ] - [ -0.0592048500000000, 0.0029393100000000, -0.0017964100000000 ] - [ -0.0005681400000000, 0.0002208000000000, 0.0000156100000000 ] - [ 0.0123617100000000, 0.0026949100000000, -0.0000802300000000 ] - [ 0.0001107200000000, -0.0001150900000000, 0.0000185300000000 ] - [ -0.0000290700000000, -0.0078561700000000, 0.0006583600000000 ] - [ -0.0002159600000000, -0.0000287900000000, -0.0000919300000000 ] - [ 0.0028557100000000, -0.0000894900000000, -0.0000013700000000 ] - [ 0.0004855300000000, -0.0000922500000000, 0.0000060400000000 ] - [ 0.0027081900000000, 0.0084679100000000, -0.0008943000000000 ] - [ 0.0001377900000000, 0.0002090400000000, 0.0001299100000000 ] - [ 0.0010465000000000, -0.0009547600000000, -0.0000017300000000 ] - [ 0.0000236900000000, -0.0001744200000000, 0.0000003500000000 ] - [ 0.0050901900000000, -0.0009250700000000, -0.0004223800000000 ] - [ 0.0003940000000000, -0.0000792200000000, -0.0002813200000000 ] - [ 0.0058500100000000, -0.0043260900000000, 0.0001002600000000 ] - [ 0.0004513200000000, -0.0003640700000000, 0.0000020200000000 ] - [ 0.0037578200000000, -0.0156874700000000, -0.0054110900000000 ] - [ 0.0002140700000000, -0.0001808100000000, 0.0006296300000000 ] - [ -0.0055491800000000, 0.0018195400000000, -0.0009512000000000 ] - [ -0.0009383400000000, -0.0001601400000000, 0.0005366300000000 ] - [ 0.0066258200000000, 0.0023890900000000, -0.0003462700000000 ] - [ 0.0005446200000000, -0.0003443200000000, -0.0002011700000000 ] - [ 0.0144750900000000, -0.0011910300000000, 0.0040613200000000 ] - [ -0.0002259900000000, 0.0004379300000000, -0.0000901300000000 ] - [ 0.0007121900000000, -0.0045685600000000, 0.0004582900000000 ] - [ 0.0000543300000000, -0.0008757200000000, 0.0005591200000000 ] - [ 0.0000598500000000, 0.0142574600000000, 0.0016042500000000 ] - [ -0.0002416100000000, 0.0005237100000000, -0.0002597700000000 ] - [ 0.0064142200000000, 0.0003233400000000, 0.0001495100000000 ] - [ 0.0010585900000000, 0.0002322500000000, 0.0000782500000000 ] - [ -0.0042291000000000, -0.0050920500000000, 0.0010546900000000 ] - [ -0.0005736000000000, 0.0000757800000000, 0.0005347700000000 ] - [ 0.0043100600000000, -0.0038738400000000, 0.0008075000000000 ] - [ -0.0002803700000000, 0.0001233700000000, -0.0006990100000000 ] - [ -0.0006890400000000, 0.0019021700000000, 0.0002806800000000 ] - [ -0.0001088000000000, 0.0005838600000000, 0.0004515100000000 ] - [ -0.0119135700000000, -0.0043537700000000, 0.0006196000000000 ] - [ -0.0009824300000000, -0.0003363000000000, -0.0006317200000000 ] - [ -0.0005304600000000, 0.0029505400000000, -0.0002645600000000 ] - [ 0.0002374100000000, 0.0000704900000000, -0.0001894400000000 ] - [ 0.0020713500000000, 0.0022802100000000, 0.0003237300000000 ] - [ 0.0002636200000000, 0.0001774600000000, 0.0005325600000000 ] - [ -0.0004721600000000, -0.0030402900000000, -0.0003967100000000 ] - [ 0.0002965300000000, -0.0004983600000000, -0.0005852600000000 ] - [ 0.0139189600000000, -0.0020402200000000, -0.0043106100000000 ] - [ 0.0001837800000000, -0.0001291000000000, -0.0001051000000000 ] - [ 0.0007549400000000, 0.0038914000000000, -0.0002646200000000 ] - [ -0.0000635800000000, 0.0003398400000000, -0.0001843100000000 ] - [ -0.0034937700000000, 0.0006702700000000, 0.0002174300000000 ] - [ -0.0004745800000000, 0.0001280800000000, 0.0003481600000000 ] - [ -0.0021271800000000, -0.0024089800000000, 0.0003930100000000 ] - [ -0.0000295900000000, 0.0000629200000000, 0.0001211000000000 ] - [ 0.0061803600000000, 0.0051624800000000, 0.0004049400000000 ] - [ 0.0004088600000000, -0.0001620400000000, -0.0000836300000000 ] - [ -0.0015388900000000, 0.0033665100000000, -0.0003167000000000 ] - [ -0.0001764100000000, 0.0004687600000000, -0.0000611900000000 ] - [ 0.0008228100000000, -0.0004595400000000, -0.0003762600000000 ] - [ 0.0000381100000000, -0.0000209300000000, -0.0004178900000000 ] - [ 0.0059456300000000, -0.0025960900000000, -0.0034036100000000 ] - [ 0.0000012200000000, 0.0001886300000000, 0.0001548000000000 ] - [ -0.0002914500000000, -0.0013833400000000, -0.0004089800000000 ] - [ 0.0001686600000000, -0.0003248400000000, -0.0002953300000000 ] - [ -0.0035823700000000, 0.0006263600000000, -0.0002769000000000 ] - [ -0.0005249600000000, -0.0002720700000000, 0.0004291900000000 ] - [ -0.0005285500000000, 0.0031970000000000, -0.0000417300000000 ] - [ -0.0002865800000000, 0.0002575100000000, 0.0001444600000000 ] - [ -0.0007563600000000, -0.0019998300000000, 0.0007009700000000 ] - [ 0.0002363900000000, -0.0001355100000000, 0.0000624900000000 ] - [ -0.0007362700000000, 0.0015626100000000, 0.0003081500000000 ] - [ -0.0004626400000000, -0.0001147600000000, 0.0000700900000000 ] - [ 0.0001166900000000, -0.0013174900000000, 0.0005341200000000 ] - [ 0.0000598500000000, 0.0001816500000000, 0.0003278400000000 ] - [ 0.0067748000000000, -0.0013685800000000, 0.0027665200000000 ] - [ 0.0003570900000000, -0.0004257100000000, 0.0003569300000000 ] - [ 0.0005857600000000, 0.0024107100000000, -0.0001665100000000 ] - [ 0.0002591100000000, 0.0004289600000000, -0.0000833000000000 ] - [ -0.0022226400000000, -0.0060080700000000, 0.0000904000000000 ] - [ 0.0002857000000000, -0.0005758200000000, 0.0004981000000000 ] - [ 0.0008512100000000, -0.0030270200000000, 0.0011522400000000 ] - [ 0.0002560300000000, -0.0003125500000000, -0.0006408400000000 ] - [ 0.0005282500000000, -0.0019215900000000, -0.0004323000000000 ] - [ 0.0002183500000000, -0.0002067600000000, -0.0004126800000000 ] - [ -0.0021812200000000, 0.0013245000000000, -0.0009520000000000 ] - [ 0.0005225600000000, 0.0001181500000000, 0.0004035600000000 ] - [ 0.0058163300000000, 0.0014052100000000, 0.0000789000000000 ] - [ 0.0006179800000000, -0.0002127300000000, 0.0002476700000000 ] - [ -0.0073412000000000, -0.0008217800000000, -0.0008041600000000 ] - [ -0.0002693600000000, -0.0003586700000000, -0.0001931300000000 ] - [ 0.0033345300000000, -0.0053454500000000, 0.0004005400000000 ] - [ -0.0001958200000000, -0.0002965100000000, 0.0003702200000000 ] - [ -0.0058870400000000, 0.0052597100000000, -0.0020858900000000 ] - [ 0.0000564500000000, 0.0002598900000000, -0.0000915200000000 ] - [ 0.0011028900000000, -0.0004833800000000, 0.0004934900000000 ] - [ -0.0002390700000000, 0.0002112400000000, 0.0001920100000000 ] - [ 0.0064973700000000, 0.0025114100000000, 0.0035967500000000 ] - [ 0.0005303400000000, -0.0002285100000000, -0.0000775800000000 ] - [ 0.0020704100000000, 0.0015204700000000, 0.0000157200000000 ] - [ 0.0003035800000000, 0.0004020100000000, 0.0001339000000000 ] - [ -0.0046798400000000, -0.0006772300000000, 0.0003185900000000 ] - [ -0.0008649100000000, -0.0001358200000000, -0.0004094200000000 ] - [ 0.0050959100000000, -0.0004051400000000, 0.0004888100000000 ] - [ 0.0003705700000000, 0.0003898300000000, -0.0002430500000000 ] - [ -0.0007926700000000, 0.0027115000000000, -0.0006015200000000 ] - [ 0.0003842100000000, 0.0005129100000000, 0.0000638900000000 ] - [ -0.0014152200000000, -0.0012090400000000, 0.0001078300000000 ] - [ -0.0003461500000000, -0.0004335500000000, -0.0005073600000000 ] - [ -0.0038817200000000, -0.0001230000000000, -0.0001867300000000 ] - [ -0.0007559600000000, -0.0000404500000000, -0.0003493400000000 ] - [ 0.0034911600000000, 0.0029097300000000, 0.0005909300000000 ] - [ -0.0000699900000000, 0.0005647100000000, -0.0003170100000000 ] - [ -0.0024436500000000, 0.0060345700000000, 0.0003436800000000 ] - [ -0.0004160700000000, 0.0003375100000000, -0.0001748900000000 ] - [ -0.0067435400000000, -0.0031998800000000, 0.0021982900000000 ] - [ -0.0001130600000000, 0.0000026300000000, 0.0000630900000000 ] - [ -0.0064465500000000, 0.0019926800000000, 0.0008041100000000 ] - [ -0.0002994000000000, 0.0001977600000000, 0.0001935500000000 ] - [ 0.0081265800000000, 0.0015254500000000, -0.0003992500000000 ] - [ 0.0003644100000000, 0.0004915400000000, -0.0000485500000000 ] - [ 0.0031446900000000, 0.0001492000000000, -0.0007337000000000 ] - [ 0.0001094100000000, -0.0005224200000000, -0.0000085000000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002163300000000, 0.0011801200000000, 0.0006783200000000 ] - [ 0.0001671100000000, 0.0008536600000000, -0.0005076700000000 ] - [ 0.0038134500000000, 0.0000988900000000, 0.0002722000000000 ] - [ 0.0037477700000000, 0.0000769600000000, -0.0004506900000000 ] - [ -0.0004122400000000, 0.0000499200000000, -0.0001521600000000 ] - [ -0.0005021000000000, 0.0000394100000000, 0.0001627700000000 ] - [ -0.0003955700000000, -0.0000385600000000, -0.0000233800000000 ] - [ -0.0003377200000000, -0.0000084400000000, 0.0000309000000000 ] - [ -0.0013287400000000, -0.0001561400000000, -0.0012639500000000 ] - [ -0.0012726300000000, -0.0005766800000000, 0.0012549500000000 ] - [ 0.0001560500000000, -0.0008082700000000, 0.0006852500000000 ] - [ 0.0002017600000000, -0.0011685600000000, -0.0009486800000000 ] - [ 0.0591151900000000, -0.0026225900000000, 0.0018432000000000 ] - [ 0.0003458100000000, 0.0001633900000000, -0.0000157600000000 ] - [ -0.0126713000000000, -0.0030800600000000, 0.0000780500000000 ] - [ -0.0003068000000000, -0.0002296000000000, -0.0000184700000000 ] - [ -0.0001994200000000, 0.0081868300000000, -0.0006528400000000 ] - [ 0.0000161300000000, 0.0003747000000000, 0.0000915200000000 ] - [ -0.0024098900000000, 0.0001033100000000, 0.0000038400000000 ] - [ -0.0000407300000000, 0.0000926800000000, -0.0000066500000000 ] - [ -0.0023171200000000, -0.0084175600000000, 0.0008881400000000 ] - [ 0.0002579400000000, -0.0002094800000000, -0.0001293900000000 ] - [ -0.0012683800000000, 0.0005560500000000, 0.0000007000000000 ] - [ -0.0002462700000000, -0.0002117800000000, -0.0000002600000000 ] - [ -0.0057065800000000, 0.0012478800000000, -0.0003532400000000 ] - [ -0.0010155200000000, 0.0004113700000000, -0.0004936700000000 ] - [ -0.0058910400000000, 0.0037459000000000, 0.0002428800000000 ] - [ -0.0005252700000000, -0.0001793700000000, 0.0003462200000000 ] - [ -0.0029160000000000, 0.0160124200000000, 0.0064627400000000 ] - [ 0.0006152200000000, 0.0003658800000000, 0.0003209200000000 ] - [ 0.0050170900000000, -0.0021060800000000, 0.0017248000000000 ] - [ 0.0003090900000000, -0.0001810600000000, 0.0002407400000000 ] - [ -0.0065684300000000, -0.0030863800000000, -0.0004258100000000 ] - [ -0.0005270300000000, -0.0003748600000000, -0.0005740200000000 ] - [ -0.0148127700000000, 0.0015669800000000, -0.0036289800000000 ] - [ -0.0002107600000000, -0.0000968200000000, 0.0004375900000000 ] - [ -0.0009340300000000, 0.0037749900000000, 0.0004902000000000 ] - [ -0.0002858800000000, 0.0000719300000000, 0.0003912500000000 ] - [ -0.0001332800000000, -0.0137537900000000, -0.0019796700000000 ] - [ 0.0001608300000000, 0.0000238900000000, -0.0000895000000000 ] - [ -0.0058900600000000, -0.0001205700000000, 0.0001985000000000 ] - [ -0.0005465400000000, -0.0000323500000000, 0.0002694800000000 ] - [ 0.0036481500000000, 0.0056600000000000, -0.0001071300000000 ] - [ 0.0000089100000000, 0.0005268300000000, 0.0004164300000000 ] - [ -0.0045173900000000, 0.0047235600000000, -0.0017853400000000 ] - [ 0.0000359900000000, 0.0006858300000000, -0.0002520000000000 ] - [ 0.0007235200000000, -0.0011645100000000, 0.0004964400000000 ] - [ 0.0001265200000000, 0.0001386200000000, 0.0003254200000000 ] - [ 0.0114034100000000, 0.0036958700000000, -0.0015464400000000 ] - [ 0.0004039800000000, -0.0002704700000000, -0.0003205800000000 ] - [ 0.0010358400000000, -0.0031425300000000, -0.0000833900000000 ] - [ 0.0002705000000000, -0.0002703500000000, -0.0001599700000000 ] - [ -0.0014635000000000, -0.0026525600000000, 0.0004524200000000 ] - [ 0.0003379100000000, -0.0005475300000000, 0.0002441300000000 ] - [ 0.0012946300000000, 0.0028505500000000, -0.0005535000000000 ] - [ 0.0005127700000000, 0.0003123300000000, -0.0003650500000000 ] - [ -0.0132659700000000, 0.0023324200000000, 0.0034542300000000 ] - [ 0.0004245800000000, 0.0005020700000000, -0.0006703400000000 ] - [ -0.0011889300000000, -0.0042318000000000, -0.0000811200000000 ] - [ -0.0003694900000000, -0.0006730400000000, -0.0001648600000000 ] - [ 0.0032605400000000, -0.0007810100000000, 0.0005380000000000 ] - [ 0.0002506000000000, -0.0002459400000000, 0.0004065700000000 ] - [ 0.0026861700000000, 0.0027096900000000, 0.0001820300000000 ] - [ 0.0005967400000000, 0.0002541100000000, 0.0004522200000000 ] - [ -0.0058959600000000, -0.0058378800000000, -0.0004491500000000 ] - [ -0.0000632900000000, -0.0005289900000000, 0.0000118800000000 ] - [ 0.0016162200000000, -0.0026423700000000, -0.0001441700000000 ] - [ 0.0002590400000000, 0.0002316400000000, -0.0004010800000000 ] - [ -0.0010706600000000, 0.0005342400000000, -0.0003807700000000 ] - [ -0.0002634700000000, 0.0001340000000000, -0.0003374300000000 ] - [ -0.0062036500000000, 0.0026999200000000, 0.0036739900000000 ] - [ -0.0005690200000000, 0.0001429000000000, 0.0004225400000000 ] - [ 0.0008632300000000, 0.0010385400000000, -0.0001663000000000 ] - [ 0.0004068400000000, -0.0000096100000000, -0.0002765600000000 ] - [ 0.0035604900000000, -0.0012702400000000, 0.0008542700000000 ] - [ 0.0005002100000000, -0.0003827000000000, 0.0001419600000000 ] - [ -0.0002596500000000, -0.0032437800000000, 0.0001165500000000 ] - [ -0.0004867700000000, -0.0003031100000000, -0.0000746600000000 ] - [ 0.0013249800000000, 0.0024195500000000, -0.0002374500000000 ] - [ 0.0003284900000000, 0.0005547400000000, 0.0003987500000000 ] - [ -0.0000141000000000, -0.0023452200000000, -0.0001576300000000 ] - [ -0.0002853800000000, -0.0006715300000000, 0.0000808600000000 ] - [ 0.0000679200000000, 0.0020358000000000, 0.0002142500000000 ] - [ 0.0001294400000000, 0.0005408000000000, 0.0004203100000000 ] - [ -0.0069702300000000, 0.0004697500000000, -0.0025735000000000 ] - [ -0.0002801300000000, -0.0002630400000000, 0.0001070100000000 ] - [ -0.0001847500000000, -0.0017388100000000, 0.0000953900000000 ] - [ 0.0001531600000000, 0.0002301900000000, 0.0000137700000000 ] - [ 0.0027483800000000, 0.0054825500000000, 0.0006708200000000 ] - [ 0.0002438900000000, 0.0000453200000000, 0.0002522800000000 ] - [ -0.0008833800000000, 0.0027896500000000, -0.0019208200000000 ] - [ -0.0002480700000000, 0.0000584400000000, -0.0001145400000000 ] - [ -0.0003301800000000, 0.0020615400000000, -0.0003236900000000 ] - [ -0.0000109400000000, 0.0003456000000000, -0.0003427500000000 ] - [ 0.0032353100000000, -0.0016042100000000, 0.0011202300000000 ] - [ 0.0005349300000000, -0.0003716900000000, -0.0002538000000000 ] - [ -0.0055189200000000, -0.0019588300000000, -0.0001117900000000 ] - [ -0.0001885700000000, -0.0004408700000000, -0.0001771700000000 ] - [ 0.0075085800000000, 0.0000900800000000, 0.0000430800000000 ] - [ 0.0004446000000000, -0.0003657700000000, -0.0005539700000000 ] - [ -0.0040636700000000, 0.0051403500000000, 0.0003412800000000 ] - [ -0.0005192900000000, 0.0000819400000000, 0.0003803700000000 ] - [ 0.0063732500000000, -0.0047018400000000, 0.0013136100000000 ] - [ 0.0004767000000000, 0.0002656200000000, -0.0006565900000000 ] - [ -0.0017367100000000, 0.0007707000000000, -0.0000294600000000 ] - [ -0.0003968100000000, 0.0000795500000000, 0.0002715100000000 ] - [ -0.0055423000000000, -0.0027193900000000, -0.0037232600000000 ] - [ 0.0000444800000000, -0.0001763400000000, -0.0003875200000000 ] - [ -0.0017277100000000, -0.0008112800000000, 0.0000554300000000 ] - [ 0.0000569200000000, 0.0002869000000000, -0.0000644900000000 ] - [ 0.0040432000000000, 0.0003949300000000, -0.0007867300000000 ] - [ 0.0002303700000000, -0.0001398500000000, -0.0000531100000000 ] - [ -0.0051521600000000, 0.0010334600000000, -0.0010565600000000 ] - [ -0.0003798900000000, 0.0002541800000000, -0.0003329700000000 ] - [ 0.0018476800000000, -0.0024584500000000, 0.0004489200000000 ] - [ 0.0006710300000000, -0.0002564700000000, -0.0002152200000000 ] - [ 0.0008542000000000, 0.0008685100000000, -0.0006838400000000 ] - [ -0.0002095500000000, 0.0000844100000000, -0.0000632900000000 ] - [ 0.0031480500000000, 0.0003204700000000, -0.0005635100000000 ] - [ 0.0000331700000000, 0.0002356900000000, -0.0004003000000000 ] - [ -0.0045771800000000, -0.0020360700000000, -0.0005163500000000 ] - [ -0.0006817800000000, 0.0002300600000000, 0.0001657100000000 ] - [ 0.0016464900000000, -0.0060001300000000, -0.0004242300000000 ] - [ -0.0003706200000000, -0.0002891600000000, 0.0001056900000000 ] - [ 0.0069082900000000, 0.0030600500000000, -0.0014141700000000 ] - [ 0.0003266600000000, -0.0001373100000000, 0.0006916000000000 ] - [ 0.0064731400000000, -0.0017335800000000, -0.0000366200000000 ] - [ 0.0003187800000000, 0.0000507400000000, 0.0005608700000000 ] - [ -0.0084553800000000, -0.0004286700000000, 0.0005139200000000 ] - [ -0.0006681600000000, 0.0005543500000000, 0.0002008600000000 ] - [ -0.0034369900000000, -0.0011823700000000, 0.0005827700000000 ] - [ -0.0004159300000000, -0.0005179300000000, -0.0001435900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005284000000000, 0.0011205200000000, 0.0007712600000000 ] - [ 0.0005727300000000, -0.0007882300000000, 0.0007659900000000 ] - [ -0.0002711800000000, 0.0003159000000000, 0.0115552900000000 ] - [ -0.0000108500000000, -0.0001362900000000, 0.0117136200000000 ] - [ 0.0002840300000000, -0.0000522300000000, 0.0003006000000000 ] - [ 0.0000236300000000, 0.0000552400000000, 0.0003303900000000 ] - [ -0.0000902000000000, -0.0002672700000000, 0.0003351900000000 ] - [ -0.0000533800000000, 0.0000120100000000, 0.0002958500000000 ] - [ 0.0010604800000000, -0.0000071200000000, 0.0008548100000000 ] - [ -0.0011614700000000, -0.0004372000000000, 0.0008278900000000 ] - [ -0.0006874800000000, -0.0007840800000000, 0.0008334700000000 ] - [ 0.0007975700000000, 0.0009240800000000, 0.0008493700000000 ] - [ -0.0019407900000000, -0.0008425100000000, -0.0614499300000000 ] - [ -0.0000957600000000, 0.0002015700000000, 0.0044944600000000 ] - [ 0.0000796400000000, -0.0010642100000000, -0.0058557900000000 ] - [ -0.0001139900000000, -0.0000481100000000, 0.0019686900000000 ] - [ 0.0006290400000000, 0.0006145700000000, -0.0058720700000000 ] - [ -0.0002042200000000, 0.0001088900000000, 0.0019870400000000 ] - [ 0.0002213400000000, 0.0000016100000000, -0.0028025200000000 ] - [ 0.0002274300000000, -0.0000041600000000, 0.0014667500000000 ] - [ -0.0005077300000000, 0.0005757700000000, -0.0058559200000000 ] - [ 0.0003033600000000, -0.0000707000000000, 0.0019688000000000 ] - [ -0.0001093700000000, -0.0001952500000000, -0.0028027600000000 ] - [ -0.0001111300000000, -0.0001842000000000, 0.0014669900000000 ] - [ -0.0025852700000000, 0.0002045900000000, -0.0009417100000000 ] - [ 0.0000501800000000, 0.0001454000000000, -0.0000534400000000 ] - [ 0.0025713100000000, -0.0026044800000000, -0.0005389600000000 ] - [ -0.0004543100000000, 0.0000907600000000, 0.0005403100000000 ] - [ -0.0075050100000000, 0.0080976000000000, 0.0015110900000000 ] - [ 0.0010183400000000, -0.0006339600000000, 0.0011047800000000 ] - [ -0.0059934200000000, -0.0089462700000000, 0.0004638300000000 ] - [ 0.0004389200000000, 0.0007803300000000, 0.0008596800000000 ] - [ -0.0029176300000000, -0.0021772900000000, -0.0011073700000000 ] - [ 0.0005088300000000, -0.0000729400000000, -0.0000201600000000 ] - [ 0.0095268800000000, -0.0022987900000000, 0.0001224600000000 ] - [ -0.0012501000000000, 0.0004838600000000, 0.0006619500000000 ] - [ -0.0014523300000000, 0.0019411000000000, -0.0001266700000000 ] - [ 0.0000430000000000, -0.0007497200000000, 0.0008189900000000 ] - [ 0.0026792300000000, 0.0099476400000000, -0.0002154800000000 ] - [ -0.0002899800000000, -0.0007920900000000, 0.0003121900000000 ] - [ 0.0023415700000000, -0.0004832100000000, -0.0003627300000000 ] - [ -0.0000394600000000, 0.0001565700000000, 0.0005082400000000 ] - [ 0.0017854200000000, 0.0076821200000000, -0.0005302100000000 ] - [ -0.0005233300000000, -0.0006299500000000, 0.0009678200000000 ] - [ 0.0073134800000000, -0.0014964700000000, -0.0014821500000000 ] - [ -0.0010627100000000, 0.0006644900000000, 0.0000160200000000 ] - [ -0.0010955100000000, -0.0016287200000000, -0.0001672400000000 ] - [ 0.0001680000000000, 0.0006789400000000, 0.0007235600000000 ] - [ 0.0026891600000000, -0.0111314700000000, 0.0005765700000000 ] - [ -0.0006218400000000, 0.0005953900000000, 0.0001534800000000 ] - [ -0.0004629400000000, 0.0033260200000000, -0.0008871600000000 ] - [ 0.0003591500000000, -0.0006507300000000, 0.0001905200000000 ] - [ -0.0027358900000000, -0.0018100000000000, -0.0003313000000000 ] - [ 0.0007920800000000, 0.0001008500000000, 0.0007573300000000 ] - [ 0.0017660100000000, -0.0024243300000000, -0.0010750300000000 ] - [ 0.0001803300000000, 0.0002214100000000, -0.0001320200000000 ] - [ -0.0101239600000000, -0.0003565900000000, -0.0003046200000000 ] - [ 0.0015244100000000, 0.0003684700000000, 0.0000812500000000 ] - [ 0.0003185000000000, 0.0019313000000000, -0.0007098100000000 ] - [ -0.0003170300000000, -0.0004548100000000, 0.0001588100000000 ] - [ 0.0011946600000000, -0.0000200400000000, 0.0008831700000000 ] - [ -0.0002900400000000, -0.0000644400000000, 0.0000296300000000 ] - [ 0.0011390900000000, 0.0016254600000000, 0.0013241700000000 ] - [ 0.0000747300000000, -0.0000817700000000, -0.0004664300000000 ] - [ -0.0009221200000000, -0.0028443000000000, 0.0033430100000000 ] - [ 0.0000397500000000, 0.0003826800000000, -0.0011171800000000 ] - [ -0.0005623700000000, 0.0018436000000000, 0.0008059500000000 ] - [ 0.0001947500000000, 0.0000992000000000, -0.0009808300000000 ] - [ 0.0011811700000000, 0.0045649400000000, -0.0000989900000000 ] - [ -0.0003058700000000, -0.0005553500000000, -0.0006962400000000 ] - [ -0.0028101200000000, 0.0030330000000000, 0.0083899500000000 ] - [ -0.0013632700000000, 0.0005592900000000, -0.0017796400000000 ] - [ 0.0003256800000000, 0.0010842800000000, 0.0007327300000000 ] - [ 0.0003702400000000, -0.0003651400000000, -0.0010497500000000 ] - [ 0.0010902600000000, -0.0009201200000000, 0.0013019300000000 ] - [ -0.0001446200000000, -0.0001556200000000, -0.0004748000000000 ] - [ -0.0021941100000000, 0.0022366200000000, 0.0006212000000000 ] - [ -0.0001394900000000, -0.0002740900000000, -0.0003186000000000 ] - [ -0.0003116600000000, -0.0004473400000000, 0.0013094200000000 ] - [ 0.0004399700000000, 0.0002379000000000, -0.0005314200000000 ] - [ -0.0008526000000000, 0.0012307300000000, 0.0012221500000000 ] - [ -0.0003940800000000, -0.0005927600000000, -0.0007307100000000 ] - [ -0.0002547600000000, -0.0010128800000000, 0.0008914300000000 ] - [ 0.0001408300000000, 0.0005322500000000, 0.0000180000000000 ] - [ 0.0029542300000000, 0.0004635100000000, 0.0075432400000000 ] - [ 0.0007147700000000, 0.0003596300000000, -0.0016583900000000 ] - [ 0.0012557800000000, -0.0023594300000000, 0.0005491500000000 ] - [ 0.0001134600000000, 0.0006652000000000, -0.0003891000000000 ] - [ -0.0021768500000000, -0.0041114100000000, 0.0006722000000000 ] - [ 0.0005671000000000, 0.0002187500000000, 0.0000558400000000 ] - [ 0.0046503400000000, 0.0021580000000000, 0.0005545900000000 ] - [ -0.0005263600000000, -0.0004251600000000, -0.0009995100000000 ] - [ 0.0007884000000000, 0.0011797400000000, 0.0001284600000000 ] - [ 0.0000104500000000, -0.0000808000000000, -0.0007269200000000 ] - [ -0.0027167600000000, -0.0005473000000000, 0.0015654700000000 ] - [ 0.0009650000000000, -0.0001119200000000, -0.0008138100000000 ] - [ -0.0025764100000000, 0.0000676700000000, 0.0033177600000000 ] - [ 0.0007872400000000, -0.0008144300000000, -0.0010504100000000 ] - [ -0.0044578200000000, -0.0005540000000000, -0.0000797900000000 ] - [ 0.0006488200000000, -0.0003419100000000, -0.0006950900000000 ] - [ 0.0009148300000000, -0.0050435200000000, 0.0013258400000000 ] - [ -0.0004469600000000, 0.0004578600000000, -0.0002695600000000 ] - [ -0.0033759300000000, 0.0038326300000000, 0.0005863200000000 ] - [ 0.0007030900000000, -0.0000937300000000, -0.0010189200000000 ] - [ 0.0006751000000000, -0.0011247300000000, 0.0012658400000000 ] - [ -0.0004588900000000, 0.0004071800000000, -0.0005156600000000 ] - [ 0.0026696600000000, 0.0020318900000000, 0.0072245600000000 ] - [ 0.0012185100000000, 0.0000277500000000, -0.0021165400000000 ] - [ -0.0018178100000000, 0.0049880300000000, 0.0003901100000000 ] - [ 0.0004342200000000, -0.0002321800000000, -0.0003161400000000 ] - [ -0.0011842000000000, -0.0003232100000000, 0.0008495500000000 ] - [ -0.0002147600000000, -0.0000161800000000, -0.0009965900000000 ] - [ 0.0012342300000000, -0.0035830900000000, 0.0079799600000000 ] - [ -0.0001982800000000, -0.0007904400000000, -0.0023474700000000 ] - [ 0.0016936600000000, -0.0010968400000000, 0.0010747800000000 ] - [ 0.0003458800000000, 0.0002110700000000, -0.0008838400000000 ] - [ 0.0014181000000000, -0.0001675800000000, 0.0007540000000000 ] - [ -0.0005871600000000, -0.0002346800000000, -0.0010417700000000 ] - [ -0.0017242600000000, 0.0004801700000000, 0.0001427900000000 ] - [ -0.0001923200000000, 0.0000509800000000, -0.0007322700000000 ] - [ 0.0004419400000000, 0.0004927100000000, 0.0047763100000000 ] - [ -0.0010154000000000, 0.0006835100000000, -0.0017766100000000 ] - [ 0.0026257000000000, -0.0040233300000000, 0.0003188000000000 ] - [ -0.0007614700000000, 0.0005252800000000, -0.0003868600000000 ] - [ 0.0044039200000000, 0.0028134600000000, 0.0013013500000000 ] - [ -0.0004254100000000, -0.0003818700000000, -0.0002433200000000 ] - [ 0.0045669000000000, -0.0010097000000000, 0.0006598600000000 ] - [ -0.0006270700000000, 0.0002634400000000, 0.0000606500000000 ] - [ 0.0003664900000000, 0.0013277200000000, 0.0048195300000000 ] - [ -0.0002239800000000, -0.0001864000000000, -0.0016294000000000 ] - [ -0.0021372400000000, -0.0031175100000000, 0.0014197700000000 ] - [ 0.0000740800000000, -0.0001545500000000, -0.0009671600000000 ]- atom: 15 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006708200000000, 0.0002861400000000, 0.0000192600000000 ] - [ 0.0006144300000000, 0.0002421300000000, -0.0000540500000000 ] - [ 0.0011611900000000, 0.0005316400000000, -0.0012360600000000 ] - [ 0.0011389900000000, 0.0001158100000000, 0.0011956000000000 ] - [ -0.0003116600000000, -0.0005570500000000, 0.0002667800000000 ] - [ -0.0003124900000000, -0.0008647200000000, -0.0005157300000000 ] - [ -0.0003898300000000, 0.0009390800000000, 0.0008306100000000 ] - [ -0.0002996300000000, 0.0006442200000000, -0.0005998700000000 ] - [ -0.0039068000000000, -0.0002320900000000, -0.0003071700000000 ] - [ -0.0038729000000000, -0.0002901300000000, 0.0001435800000000 ] - [ 0.0005105900000000, -0.0003128600000000, 0.0000727100000000 ] - [ 0.0005293400000000, -0.0002864700000000, -0.0001083400000000 ] - [ 0.0124590000000000, 0.0028775600000000, 0.0001637600000000 ] - [ 0.0000960700000000, 0.0002463800000000, -0.0000118800000000 ] - [ -0.0478438400000000, -0.0063252600000000, 0.0008905200000000 ] - [ -0.0005890600000000, -0.0001841300000000, -0.0000445400000000 ] - [ 0.0030151800000000, 0.0009761700000000, 0.0000870700000000 ] - [ 0.0002308400000000, 0.0001561300000000, -0.0000167600000000 ] - [ -0.0020619700000000, -0.0056737500000000, 0.0008552700000000 ] - [ 0.0000660900000000, -0.0001545500000000, -0.0001144300000000 ] - [ 0.0019141500000000, -0.0016121900000000, 0.0000590700000000 ] - [ 0.0003755300000000, -0.0000723900000000, -0.0000118600000000 ] - [ -0.0000127100000000, 0.0078193000000000, -0.0007346000000000 ] - [ -0.0002262100000000, 0.0000101400000000, 0.0001058400000000 ] - [ 0.0134490500000000, 0.0026407700000000, 0.0051256800000000 ] - [ -0.0003628200000000, 0.0004390200000000, -0.0006781700000000 ] - [ 0.0085443100000000, 0.0054243900000000, 0.0001265700000000 ] - [ 0.0002995700000000, -0.0002167500000000, 0.0004149700000000 ] - [ 0.0028347400000000, 0.0133562200000000, 0.0021292800000000 ] - [ 0.0002694600000000, 0.0003646700000000, 0.0003535500000000 ] - [ 0.0049106100000000, -0.0029137700000000, 0.0008080400000000 ] - [ -0.0002953100000000, -0.0004410500000000, 0.0001787400000000 ] - [ 0.0068557700000000, -0.0079217000000000, -0.0004144200000000 ] - [ 0.0003033600000000, -0.0005497000000000, -0.0006269300000000 ] - [ 0.0054151400000000, -0.0013981000000000, 0.0000472800000000 ] - [ 0.0005052500000000, -0.0001181400000000, 0.0003251400000000 ] - [ -0.0001852500000000, 0.0029327300000000, 0.0004419800000000 ] - [ -0.0000725300000000, -0.0001516200000000, 0.0004432600000000 ] - [ 0.0048194300000000, -0.0147769600000000, -0.0045964600000000 ] - [ -0.0001732600000000, 0.0000216600000000, -0.0000231100000000 ] - [ 0.0116107500000000, -0.0067457500000000, -0.0050626300000000 ] - [ 0.0000277300000000, -0.0002556500000000, 0.0004469600000000 ] - [ 0.0013055300000000, 0.0042602400000000, 0.0003602600000000 ] - [ -0.0000559400000000, 0.0008409700000000, 0.0004476900000000 ] - [ -0.0017638000000000, 0.0044566200000000, -0.0019992100000000 ] - [ -0.0006633200000000, 0.0005353300000000, -0.0002861500000000 ] - [ -0.0004557900000000, -0.0025678900000000, 0.0004869900000000 ] - [ -0.0000630800000000, -0.0000218900000000, 0.0002824100000000 ] - [ 0.0015331900000000, 0.0020799800000000, -0.0005460800000000 ] - [ -0.0001985800000000, 0.0000930800000000, -0.0003405200000000 ] - [ 0.0017340800000000, -0.0041607900000000, -0.0001864800000000 ] - [ 0.0004829100000000, -0.0005292600000000, -0.0001116800000000 ] - [ -0.0089485100000000, -0.0056537200000000, 0.0023522900000000 ] - [ -0.0003531600000000, -0.0003238400000000, 0.0002156900000000 ] - [ 0.0003348600000000, 0.0019678600000000, -0.0005161700000000 ] - [ 0.0003251700000000, 0.0002052200000000, -0.0004118500000000 ] - [ 0.0066059500000000, 0.0004345100000000, -0.0002797300000000 ] - [ 0.0011538400000000, 0.0003257800000000, -0.0005438500000000 ] - [ -0.0022546500000000, -0.0059609600000000, 0.0002294300000000 ] - [ -0.0004421500000000, -0.0004587100000000, -0.0001228000000000 ] - [ -0.0058136700000000, 0.0046844200000000, -0.0027049400000000 ] - [ -0.0001844700000000, -0.0000872400000000, 0.0006553100000000 ] - [ -0.0007383600000000, 0.0046073000000000, 0.0001470100000000 ] - [ 0.0001870400000000, 0.0003229100000000, 0.0005080300000000 ] - [ -0.0032914100000000, -0.0054732800000000, -0.0004510900000000 ] - [ 0.0001487900000000, -0.0006973200000000, 0.0001269200000000 ] - [ -0.0023050900000000, -0.0035438000000000, -0.0000231500000000 ] - [ -0.0001560200000000, 0.0002595000000000, -0.0004653600000000 ] - [ -0.0006353000000000, 0.0030863400000000, -0.0003566700000000 ] - [ -0.0000587100000000, 0.0003345500000000, -0.0002771100000000 ] - [ -0.0051201600000000, -0.0001072200000000, 0.0009247700000000 ] - [ -0.0009654000000000, 0.0002088700000000, 0.0001138600000000 ] - [ 0.0000144200000000, 0.0018440800000000, -0.0002194500000000 ] - [ 0.0002559100000000, 0.0000896300000000, -0.0002589500000000 ] - [ 0.0031114500000000, -0.0004981600000000, 0.0005545100000000 ] - [ 0.0002354400000000, -0.0003825400000000, 0.0004625000000000 ] - [ -0.0001402500000000, -0.0017786600000000, 0.0000293900000000 ] - [ -0.0002550700000000, -0.0001764100000000, -0.0000006100000000 ] - [ 0.0028269200000000, 0.0018766800000000, -0.0002376300000000 ] - [ 0.0004992600000000, 0.0002775000000000, 0.0003029200000000 ] - [ -0.0008689500000000, -0.0019971100000000, -0.0000608600000000 ] - [ -0.0004293900000000, -0.0005840500000000, 0.0000969100000000 ] - [ -0.0000675500000000, 0.0025692800000000, 0.0002433400000000 ] - [ 0.0001279100000000, 0.0004922500000000, 0.0003421600000000 ] - [ 0.0058384500000000, 0.0024345600000000, -0.0008660200000000 ] - [ 0.0003218500000000, -0.0002069600000000, 0.0000299900000000 ] - [ -0.0001398300000000, -0.0015275700000000, 0.0001765700000000 ] - [ 0.0001187900000000, 0.0000990400000000, -0.0000957300000000 ] - [ 0.0040894000000000, 0.0069814400000000, 0.0012944200000000 ] - [ 0.0004394500000000, -0.0000332500000000, 0.0003228100000000 ] - [ 0.0009078500000000, 0.0044298000000000, -0.0029297300000000 ] - [ 0.0002946800000000, 0.0000657500000000, -0.0001118300000000 ] - [ 0.0015002700000000, 0.0015206100000000, -0.0005133700000000 ] - [ 0.0002059200000000, 0.0001832200000000, -0.0002885500000000 ] - [ 0.0048146800000000, -0.0000504900000000, -0.0002999100000000 ] - [ 0.0008682900000000, -0.0000915000000000, 0.0000567900000000 ] - [ -0.0002674100000000, -0.0027039800000000, 0.0010934600000000 ] - [ 0.0003738500000000, -0.0005623000000000, -0.0002457100000000 ] - [ -0.0058308100000000, 0.0014329500000000, -0.0000130500000000 ] - [ -0.0001773500000000, -0.0003079900000000, -0.0005787700000000 ] - [ -0.0036065200000000, 0.0056270800000000, 0.0007364800000000 ] - [ -0.0004200600000000, 0.0001772100000000, 0.0002475000000000 ] - [ -0.0039787000000000, 0.0010394600000000, -0.0005090300000000 ] - [ -0.0000133100000000, 0.0004321600000000, -0.0004846600000000 ] - [ -0.0020352900000000, 0.0021235200000000, -0.0001883000000000 ] - [ -0.0004990400000000, 0.0004105400000000, 0.0003612600000000 ] - [ -0.0039812500000000, 0.0007357700000000, -0.0009196700000000 ] - [ -0.0003260700000000, -0.0001569800000000, -0.0000805400000000 ] - [ 0.0003092100000000, -0.0016427800000000, -0.0000843700000000 ] - [ 0.0002575800000000, 0.0000394100000000, 0.0000065300000000 ] - [ 0.0033668600000000, 0.0012135600000000, -0.0001866600000000 ] - [ 0.0000030200000000, -0.0000612600000000, -0.0003157400000000 ] - [ -0.0027930000000000, 0.0010903000000000, -0.0009135500000000 ] - [ -0.0001245400000000, 0.0005675100000000, 0.0000218000000000 ] - [ 0.0014667400000000, -0.0011752900000000, 0.0001433200000000 ] - [ 0.0005606300000000, 0.0000837400000000, -0.0000947000000000 ] - [ 0.0064962600000000, -0.0004139300000000, 0.0000870200000000 ] - [ 0.0002166200000000, -0.0001235200000000, -0.0003401500000000 ] - [ -0.0067512500000000, -0.0021614300000000, 0.0027762400000000 ] - [ -0.0003940500000000, 0.0002203800000000, -0.0006572900000000 ] - [ 0.0059439700000000, 0.0002648200000000, 0.0024464300000000 ] - [ -0.0001284000000000, 0.0003172100000000, 0.0000885100000000 ] - [ 0.0020511200000000, -0.0058254500000000, -0.0000621200000000 ] - [ -0.0002766900000000, -0.0002314400000000, 0.0000043000000000 ] - [ -0.0040064800000000, 0.0001133500000000, 0.0005118200000000 ] - [ -0.0001908100000000, -0.0001711400000000, 0.0004992600000000 ] - [ -0.0068486800000000, -0.0000315300000000, -0.0000324300000000 ] - [ -0.0003337400000000, 0.0001543900000000, 0.0005888000000000 ] - [ -0.0015494800000000, -0.0003650700000000, 0.0004019500000000 ] - [ -0.0003096900000000, 0.0002870100000000, -0.0000972000000000 ] - [ -0.0015466300000000, -0.0022123600000000, 0.0003749100000000 ] - [ -0.0002813800000000, -0.0008080200000000, -0.0002176000000000 ]- atom: 15 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008063900000000, -0.0000561600000000, -0.0000212000000000 ] - [ -0.0007506300000000, -0.0000116000000000, 0.0000572100000000 ] - [ -0.0013121800000000, -0.0002685600000000, 0.0012283900000000 ] - [ -0.0012914100000000, 0.0001462600000000, -0.0011888200000000 ] - [ 0.0006197700000000, 0.0005550200000000, -0.0002652600000000 ] - [ 0.0006153000000000, 0.0008625100000000, 0.0005149100000000 ] - [ 0.0002421900000000, -0.0011995500000000, -0.0008323800000000 ] - [ 0.0001558700000000, -0.0009024800000000, 0.0005993600000000 ] - [ 0.0037702100000000, -0.0000004900000000, 0.0003531400000000 ] - [ 0.0037355300000000, 0.0000521000000000, -0.0001943300000000 ] - [ -0.0002413300000000, 0.0003144500000000, -0.0000747100000000 ] - [ -0.0002585200000000, 0.0002885400000000, 0.0001095800000000 ] - [ -0.0125737300000000, -0.0024573400000000, -0.0001598400000000 ] - [ -0.0003212400000000, 0.0001378200000000, 0.0000115200000000 ] - [ 0.0474591500000000, 0.0059236900000000, -0.0007727300000000 ] - [ 0.0003902800000000, -0.0001609000000000, 0.0000433000000000 ] - [ -0.0032158200000000, -0.0006434800000000, -0.0000888300000000 ] - [ -0.0004294700000000, 0.0001880200000000, 0.0000168100000000 ] - [ 0.0025334400000000, 0.0056565700000000, -0.0008577200000000 ] - [ 0.0003787800000000, 0.0001521000000000, 0.0001141300000000 ] - [ -0.0015156700000000, 0.0016245800000000, -0.0000569500000000 ] - [ 0.0000238700000000, 0.0000738400000000, 0.0000114600000000 ] - [ -0.0001831900000000, -0.0082238200000000, 0.0007408900000000 ] - [ 0.0000057000000000, -0.0003931500000000, -0.0001068900000000 ] - [ -0.0141750200000000, -0.0023690900000000, -0.0060189300000000 ] - [ -0.0002512100000000, -0.0001064400000000, -0.0000969800000000 ] - [ -0.0086617600000000, -0.0059907400000000, 0.0002303500000000 ] - [ -0.0003683000000000, -0.0003250100000000, -0.0000667200000000 ] - [ -0.0020056500000000, -0.0131266500000000, -0.0011510900000000 ] - [ 0.0005531400000000, -0.0001802900000000, 0.0005967200000000 ] - [ -0.0055618300000000, 0.0025409100000000, -0.0000166100000000 ] - [ -0.0003425500000000, 0.0000949600000000, 0.0005983200000000 ] - [ -0.0068708500000000, 0.0072387500000000, -0.0003662800000000 ] - [ -0.0002802600000000, -0.0001708500000000, -0.0001489700000000 ] - [ -0.0058445900000000, 0.0017448700000000, 0.0003022000000000 ] - [ -0.0009339600000000, 0.0004582600000000, 0.0000227200000000 ] - [ -0.0000478100000000, -0.0037419100000000, 0.0005077000000000 ] - [ -0.0001596900000000, -0.0006552900000000, 0.0005075200000000 ] - [ -0.0048810700000000, 0.0152111900000000, 0.0041655600000000 ] - [ 0.0000860300000000, 0.0005253200000000, -0.0003260400000000 ] - [ -0.0111360900000000, 0.0070670700000000, 0.0055132300000000 ] - [ 0.0004910600000000, 0.0004566800000000, -0.0000994400000000 ] - [ -0.0018698000000000, -0.0036493100000000, 0.0005879300000000 ] - [ -0.0005107200000000, -0.0002360700000000, 0.0005028600000000 ] - [ 0.0014302400000000, -0.0036856100000000, 0.0010495800000000 ] - [ 0.0004099300000000, 0.0002706200000000, -0.0006647800000000 ] - [ 0.0004596100000000, 0.0032885000000000, 0.0002904700000000 ] - [ 0.0000785000000000, 0.0007427000000000, 0.0004944900000000 ] - [ -0.0021208800000000, -0.0026792500000000, -0.0004045200000000 ] - [ -0.0003862100000000, -0.0006961700000000, -0.0006109400000000 ] - [ -0.0012297700000000, 0.0039462200000000, -0.0001598900000000 ] - [ 0.0000230600000000, 0.0003266900000000, -0.0002373900000000 ] - [ 0.0094626800000000, 0.0053184400000000, -0.0015894300000000 ] - [ 0.0009493200000000, -0.0000446700000000, 0.0005614000000000 ] - [ 0.0004585100000000, -0.0021658600000000, -0.0004352200000000 ] - [ 0.0004817000000000, -0.0003940000000000, -0.0005386600000000 ] - [ -0.0059990000000000, -0.0000575100000000, -0.0004971700000000 ] - [ -0.0005364700000000, 0.0000495700000000, -0.0002322600000000 ] - [ 0.0018235300000000, 0.0056396300000000, -0.0005756300000000 ] - [ 0.0000086500000000, 0.0001283700000000, -0.0002269100000000 ] - [ 0.0055422700000000, -0.0048159500000000, 0.0034481100000000 ] - [ -0.0000423100000000, -0.0000293300000000, 0.0001003100000000 ] - [ 0.0013063000000000, -0.0043092800000000, 0.0004266900000000 ] - [ 0.0003784700000000, -0.0000018600000000, 0.0000664500000000 ] - [ 0.0036406400000000, 0.0047777600000000, 0.0003708700000000 ] - [ 0.0002005900000000, 0.0000054400000000, -0.0001955100000000 ] - [ 0.0023941300000000, 0.0042612900000000, -0.0004416300000000 ] - [ 0.0002363300000000, 0.0004377300000000, 0.0000037500000000 ] - [ 0.0004213300000000, -0.0029645700000000, -0.0004010900000000 ] - [ -0.0001629100000000, -0.0002186800000000, -0.0004776400000000 ] - [ 0.0045415100000000, 0.0004433100000000, -0.0003452400000000 ] - [ 0.0003864900000000, 0.0001217700000000, 0.0004593700000000 ] - [ 0.0005602300000000, -0.0021826100000000, -0.0003532000000000 ] - [ 0.0003180700000000, -0.0004263900000000, -0.0003138200000000 ] - [ -0.0033489100000000, -0.0002677600000000, -0.0001408000000000 ] - [ -0.0002629700000000, -0.0002754400000000, 0.0001121500000000 ] - [ -0.0006132900000000, 0.0017661700000000, 0.0000395600000000 ] - [ -0.0005145100000000, 0.0001344900000000, 0.0000697400000000 ] - [ -0.0022642300000000, -0.0014631900000000, 0.0006979300000000 ] - [ 0.0000638500000000, 0.0001385100000000, 0.0001593300000000 ] - [ 0.0001210300000000, 0.0012216700000000, 0.0002129100000000 ] - [ -0.0003208500000000, -0.0001979500000000, 0.0000532400000000 ] - [ 0.0002628100000000, -0.0018535900000000, 0.0005048100000000 ] - [ 0.0000635900000000, 0.0002281900000000, 0.0004055300000000 ] - [ -0.0053507200000000, -0.0032205500000000, 0.0010371100000000 ] - [ -0.0002357100000000, -0.0004784000000000, 0.0004340400000000 ] - [ 0.0005541800000000, 0.0021858800000000, -0.0002451400000000 ] - [ 0.0002949000000000, 0.0005588300000000, 0.0000271000000000 ] - [ -0.0035145300000000, -0.0074976600000000, -0.0005571800000000 ] - [ 0.0000919400000000, -0.0004971500000000, 0.0004291900000000 ] - [ -0.0008023400000000, -0.0046999100000000, 0.0021962200000000 ] - [ -0.0002812000000000, -0.0003181900000000, -0.0006434500000000 ] - [ -0.0012755500000000, -0.0013979600000000, -0.0002421900000000 ] - [ 0.0000018400000000, -0.0000466800000000, -0.0004658900000000 ] - [ -0.0037535400000000, -0.0002072400000000, 0.0004586600000000 ] - [ 0.0001915200000000, -0.0001575700000000, 0.0000976500000000 ] - [ 0.0007335000000000, 0.0020376400000000, -0.0010147800000000 ] - [ 0.0000618700000000, -0.0000917800000000, 0.0003138900000000 ] - [ 0.0059891000000000, -0.0021686100000000, -0.0007431700000000 ] - [ 0.0003460100000000, -0.0004146400000000, -0.0001679000000000 ] - [ 0.0028953600000000, -0.0058254900000000, 0.0000245900000000 ] - [ -0.0002904200000000, -0.0003900200000000, 0.0005006900000000 ] - [ 0.0045193500000000, -0.0005197300000000, -0.0002412000000000 ] - [ 0.0005410300000000, 0.0000936200000000, -0.0002624900000000 ] - [ 0.0014018900000000, -0.0018267800000000, 0.0006510100000000 ] - [ -0.0001336800000000, -0.0001182800000000, 0.0001018700000000 ] - [ 0.0045426300000000, -0.0011452400000000, 0.0004493800000000 ] - [ 0.0008924600000000, -0.0002469300000000, -0.0003814000000000 ] - [ 0.0000612000000000, 0.0023289900000000, 0.0001531800000000 ] - [ 0.0001044600000000, 0.0006477100000000, 0.0000624200000000 ] - [ -0.0041737100000000, -0.0013861900000000, -0.0001582100000000 ] - [ -0.0006403500000000, -0.0002125700000000, -0.0001499800000000 ] - [ 0.0027905600000000, -0.0004212200000000, 0.0003306000000000 ] - [ 0.0001213200000000, 0.0000850500000000, -0.0005933500000000 ] - [ -0.0004115700000000, 0.0014377900000000, -0.0002951500000000 ] - [ 0.0004931600000000, 0.0001770200000000, -0.0000569600000000 ] - [ -0.0070348000000000, 0.0000740400000000, -0.0006679500000000 ] - [ -0.0007742300000000, -0.0002289800000000, -0.0002329900000000 ] - [ 0.0059657100000000, 0.0023482500000000, -0.0035131300000000 ] - [ -0.0003314800000000, -0.0000281100000000, -0.0000922300000000 ] - [ -0.0064397300000000, 0.0007403200000000, -0.0023355300000000 ] - [ -0.0006159500000000, 0.0004767200000000, -0.0002407800000000 ] - [ -0.0028290800000000, 0.0058638900000000, -0.0000037100000000 ] - [ -0.0005068600000000, 0.0002801200000000, -0.0000742200000000 ] - [ 0.0042245200000000, -0.0002532000000000, 0.0002448600000000 ] - [ 0.0003979900000000, 0.0000350000000000, 0.0002553100000000 ] - [ 0.0068673100000000, 0.0002843800000000, 0.0007976900000000 ] - [ 0.0003451000000000, 0.0000923800000000, 0.0001651500000000 ] - [ 0.0012535600000000, 0.0013988400000000, -0.0002468900000000 ] - [ 0.0000100100000000, 0.0007536300000000, 0.0002469300000000 ] - [ 0.0012442300000000, 0.0011701500000000, -0.0005282700000000 ] - [ -0.0000218800000000, -0.0002329200000000, 0.0000665100000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000844600000000, 0.0001959200000000, 0.0003220600000000 ] - [ -0.0000678300000000, 0.0000353800000000, 0.0002839600000000 ] - [ -0.0011109900000000, -0.0001385800000000, 0.0008239800000000 ] - [ 0.0009622800000000, 0.0001835900000000, 0.0007831800000000 ] - [ 0.0006231000000000, -0.0009217700000000, 0.0007889700000000 ] - [ -0.0001357400000000, 0.0010340800000000, 0.0008178600000000 ] - [ 0.0004313700000000, 0.0009240800000000, 0.0008816700000000 ] - [ -0.0007354200000000, -0.0010981800000000, 0.0008756600000000 ] - [ -0.0001104700000000, -0.0002969000000000, 0.0113510700000000 ] - [ 0.0000685100000000, 0.0000114200000000, 0.0115157500000000 ] - [ 0.0002046900000000, 0.0000409500000000, 0.0002882300000000 ] - [ 0.0000578200000000, -0.0000249000000000, 0.0003174400000000 ] - [ -0.0002060000000000, -0.0007962200000000, -0.0058568200000000 ] - [ -0.0000899700000000, 0.0003314600000000, 0.0019687700000000 ] - [ 0.0006701100000000, -0.0007574900000000, -0.0536094400000000 ] - [ -0.0001436900000000, -0.0001474300000000, 0.0043994300000000 ] - [ -0.0001870900000000, 0.0001567600000000, -0.0026997300000000 ] - [ -0.0000822300000000, 0.0001760900000000, 0.0014246300000000 ] - [ 0.0010376800000000, 0.0005444000000000, -0.0058550400000000 ] - [ 0.0001096500000000, -0.0000836400000000, 0.0019682800000000 ] - [ 0.0001697000000000, 0.0000852700000000, -0.0026994200000000 ] - [ 0.0002038000000000, -0.0000164400000000, 0.0014246300000000 ] - [ -0.0007557300000000, 0.0002043900000000, -0.0058716800000000 ] - [ -0.0000203600000000, -0.0002470900000000, 0.0019869200000000 ] - [ 0.0094850000000000, 0.0000299400000000, -0.0001677600000000 ] - [ -0.0012662300000000, 0.0002684300000000, 0.0002029400000000 ] - [ -0.0046416300000000, -0.0041296000000000, -0.0008657000000000 ] - [ 0.0006029000000000, 0.0001789000000000, 0.0006079000000000 ] - [ 0.0038682400000000, 0.0098047200000000, 0.0006598700000000 ] - [ 0.0000816000000000, -0.0010012800000000, 0.0008808400000000 ] - [ 0.0053997100000000, -0.0010835400000000, -0.0006571600000000 ] - [ -0.0010948100000000, 0.0000115700000000, 0.0008360800000000 ] - [ 0.0036661200000000, -0.0048659900000000, -0.0014359800000000 ] - [ -0.0005439400000000, 0.0002265200000000, 0.0000582200000000 ] - [ -0.0026867900000000, 0.0003380300000000, -0.0004228800000000 ] - [ 0.0001268500000000, 0.0001798400000000, 0.0005155100000000 ] - [ -0.0002187500000000, 0.0024089500000000, -0.0000903400000000 ] - [ -0.0000599000000000, -0.0009000700000000, 0.0008089700000000 ] - [ -0.0065581600000000, 0.0080495500000000, 0.0002059000000000 ] - [ 0.0004907600000000, -0.0005880900000000, 0.0003961600000000 ] - [ -0.0097466800000000, 0.0018693900000000, 0.0005390100000000 ] - [ 0.0012565300000000, 0.0000678400000000, 0.0007455100000000 ] - [ 0.0006100700000000, 0.0022842500000000, -0.0000229000000000 ] - [ -0.0004700900000000, 0.0000250200000000, 0.0007941800000000 ] - [ -0.0068118300000000, -0.0074289200000000, -0.0002858600000000 ] - [ 0.0006645100000000, 0.0012461500000000, -0.0000711200000000 ] - [ 0.0014323800000000, -0.0013815100000000, -0.0001926500000000 ] - [ -0.0002169400000000, 0.0005910800000000, 0.0007318600000000 ] - [ -0.0027723700000000, -0.0016195200000000, -0.0010400400000000 ] - [ 0.0001760200000000, -0.0001005700000000, -0.0001424600000000 ] - [ -0.0011316400000000, 0.0019582900000000, -0.0007697700000000 ] - [ 0.0004168700000000, -0.0004054700000000, 0.0001661600000000 ] - [ 0.0053105700000000, -0.0086109500000000, 0.0005918000000000 ] - [ -0.0002597000000000, 0.0005841800000000, 0.0009798400000000 ] - [ -0.0008669600000000, -0.0018520100000000, -0.0009714000000000 ] - [ 0.0005522000000000, 0.0002146500000000, -0.0001564600000000 ] - [ 0.0025319900000000, -0.0001747700000000, -0.0009677200000000 ] - [ -0.0000071800000000, 0.0002683500000000, -0.0000455600000000 ] - [ 0.0008207400000000, 0.0057607000000000, -0.0012156400000000 ] - [ -0.0002875100000000, -0.0009523000000000, 0.0002575800000000 ] - [ -0.0044361100000000, 0.0034215900000000, 0.0017910500000000 ] - [ 0.0004700200000000, -0.0003873200000000, -0.0005061700000000 ] - [ -0.0004306500000000, 0.0025187900000000, 0.0015750900000000 ] - [ 0.0004462600000000, -0.0001747900000000, -0.0005455400000000 ] - [ -0.0029740800000000, -0.0037560700000000, 0.0002178700000000 ] - [ 0.0005626900000000, 0.0000854300000000, -0.0003644800000000 ] - [ 0.0012606600000000, 0.0026482400000000, 0.0010537400000000 ] - [ -0.0001864300000000, 0.0000622900000000, -0.0010485000000000 ] - [ -0.0016747700000000, 0.0016300900000000, 0.0001946600000000 ] - [ 0.0000940300000000, -0.0001272600000000, -0.0007151500000000 ] - [ -0.0015278700000000, 0.0000321100000000, 0.0013929100000000 ] - [ -0.0001571100000000, 0.0002659300000000, -0.0005129000000000 ] - [ -0.0002165000000000, 0.0009746500000000, 0.0008228300000000 ] - [ 0.0002661900000000, -0.0003276100000000, -0.0010882800000000 ] - [ 0.0001772900000000, 0.0004045300000000, 0.0056327100000000 ] - [ 0.0007074500000000, 0.0000001300000000, -0.0014649800000000 ] - [ 0.0009990400000000, 0.0044134400000000, 0.0002903000000000 ] - [ -0.0005659500000000, -0.0005816000000000, -0.0002932800000000 ] - [ -0.0010985500000000, -0.0020002400000000, 0.0015114000000000 ] - [ 0.0004189400000000, 0.0005531400000000, -0.0005842700000000 ] - [ -0.0002729900000000, 0.0006471600000000, 0.0011047600000000 ] - [ -0.0002991500000000, -0.0005869800000000, -0.0006662300000000 ] - [ 0.0011540400000000, -0.0016481100000000, 0.0009639400000000 ] - [ -0.0000147000000000, 0.0006120900000000, 0.0000366700000000 ] - [ -0.0005016900000000, -0.0010926000000000, 0.0059407200000000 ] - [ -0.0007160600000000, 0.0000477000000000, -0.0015793500000000 ] - [ -0.0002478200000000, -0.0007481900000000, 0.0004707000000000 ] - [ 0.0002568000000000, 0.0004561600000000, -0.0004201400000000 ] - [ 0.0005353000000000, -0.0060409000000000, 0.0016581100000000 ] - [ 0.0001591400000000, 0.0003867000000000, -0.0004857600000000 ] - [ -0.0051488500000000, 0.0018572100000000, 0.0010776900000000 ] - [ 0.0005755300000000, -0.0004648300000000, -0.0012608700000000 ] - [ -0.0021624500000000, 0.0039960400000000, -0.0000098200000000 ] - [ 0.0004022500000000, -0.0004272700000000, -0.0007070200000000 ] - [ 0.0007180000000000, -0.0025074600000000, 0.0074118700000000 ] - [ 0.0001887800000000, -0.0011661700000000, -0.0018752000000000 ] - [ 0.0047838900000000, 0.0012369500000000, 0.0008260800000000 ] - [ -0.0003176200000000, -0.0005419900000000, -0.0005177200000000 ] - [ 0.0048473000000000, -0.0012889500000000, -0.0000411500000000 ] - [ -0.0005140900000000, -0.0002621500000000, -0.0007007500000000 ] - [ 0.0028265600000000, -0.0037718100000000, 0.0007105700000000 ] - [ -0.0007491200000000, 0.0003674300000000, 0.0000495700000000 ] - [ 0.0025342700000000, 0.0003508500000000, 0.0002144700000000 ] - [ -0.0000021200000000, 0.0002344200000000, -0.0007128100000000 ] - [ 0.0009025500000000, -0.0007911400000000, 0.0013066700000000 ] - [ -0.0005091300000000, 0.0001932800000000, -0.0005404600000000 ] - [ 0.0017039900000000, -0.0007889200000000, 0.0008464300000000 ] - [ 0.0001487700000000, -0.0000609400000000, -0.0010060600000000 ] - [ 0.0008876300000000, 0.0012753100000000, 0.0005383600000000 ] - [ 0.0000938900000000, 0.0002349100000000, -0.0003499900000000 ] - [ -0.0000717800000000, 0.0008440900000000, 0.0055964700000000 ] - [ -0.0010254100000000, 0.0003179000000000, -0.0020380600000000 ] - [ -0.0024006200000000, -0.0002345300000000, 0.0010053700000000 ] - [ 0.0003622600000000, 0.0003496600000000, -0.0011211200000000 ] - [ 0.0012884000000000, -0.0010714900000000, 0.0008740500000000 ] - [ 0.0004018500000000, 0.0003909700000000, -0.0007851500000000 ] - [ -0.0008273800000000, -0.0008824500000000, 0.0051714800000000 ] - [ -0.0002017800000000, -0.0009538800000000, -0.0020332700000000 ] - [ 0.0047490800000000, 0.0027511000000000, 0.0009480800000000 ] - [ -0.0009745200000000, -0.0001321600000000, -0.0012358200000000 ] - [ 0.0019861400000000, 0.0015850400000000, 0.0074151200000000 ] - [ 0.0003491300000000, 0.0012073400000000, -0.0020200900000000 ] - [ 0.0005369800000000, -0.0047152400000000, 0.0007612400000000 ] - [ -0.0004715000000000, 0.0005884200000000, -0.0005877800000000 ] - [ -0.0020399500000000, 0.0004977300000000, 0.0009520300000000 ] - [ 0.0003718900000000, -0.0001561000000000, 0.0000417500000000 ] - [ -0.0045327200000000, 0.0001251200000000, 0.0007483300000000 ] - [ 0.0005930100000000, 0.0001153200000000, 0.0000500300000000 ] - [ 0.0012621900000000, 0.0004651800000000, 0.0010215900000000 ] - [ -0.0004499300000000, 0.0005008600000000, -0.0006330400000000 ] - [ -0.0010088000000000, -0.0011317300000000, 0.0009577400000000 ] - [ 0.0000453800000000, -0.0004912900000000, -0.0008185300000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0018184700000000, 0.0034156300000000, 0.0030541400000000 ] - [ 0.0000190000000000, 0.0004267600000000, -0.0005769100000000 ] - [ 0.0020715600000000, -0.0005825800000000, 0.0012118900000000 ] - [ 0.0004219500000000, -0.0000259700000000, -0.0002868100000000 ] - [ 0.0000105100000000, 0.0006847700000000, -0.0000144600000000 ] - [ 0.0000967200000000, 0.0001831700000000, 0.0000201400000000 ] - [ -0.0022802900000000, -0.0026764700000000, -0.0026744300000000 ] - [ -0.0005369700000000, -0.0001137800000000, 0.0005299800000000 ] - [ 0.0041106500000000, 0.0022840100000000, -0.0043547400000000 ] - [ -0.0000760000000000, 0.0000638800000000, 0.0006745800000000 ] - [ 0.0004174800000000, -0.0014294700000000, 0.0004621500000000 ] - [ 0.0002441900000000, -0.0003826000000000, -0.0000396200000000 ] - [ 0.0052879000000000, -0.0017976100000000, -0.0022731100000000 ] - [ 0.0005944800000000, -0.0000594400000000, 0.0003574600000000 ] - [ 0.0137665400000000, 0.0076587900000000, 0.0098596700000000 ] - [ -0.0001570200000000, 0.0000324500000000, -0.0009530600000000 ] - [ 0.0051313800000000, 0.0086868900000000, -0.0057203800000000 ] - [ -0.0000741900000000, 0.0005162300000000, 0.0007813300000000 ] - [ -0.0001108600000000, 0.0012516400000000, -0.0001121400000000 ] - [ 0.0001439000000000, 0.0003382100000000, -0.0000007100000000 ] - [ 0.0008031000000000, -0.0035375800000000, -0.0007975300000000 ] - [ 0.0003741100000000, -0.0005256400000000, 0.0000879600000000 ] - [ -0.0054004400000000, -0.0089015700000000, 0.0056851100000000 ] - [ -0.0007366000000000, -0.0001678100000000, -0.0007595000000000 ] - [ -0.5293558500000000, 0.1076883100000000, -0.0128112100000000 ] - [ -0.0011065000000000, 0.0003304300000000, -0.0003992200000000 ] - [ -0.0059965700000000, -0.0000190600000000, -0.0047375000000000 ] - [ -0.0022637000000000, 0.0000158800000000, 0.0013169800000000 ] - [ 0.0005726800000000, 0.0014823600000000, 0.0004027900000000 ] - [ 0.0006716300000000, 0.0009556800000000, 0.0005697600000000 ] - [ 0.0030150000000000, 0.0004937800000000, 0.0003253000000000 ] - [ 0.0016196600000000, 0.0000702900000000, 0.0004209400000000 ] - [ -0.0220621900000000, -0.0154506700000000, -0.0002963400000000 ] - [ -0.0004396800000000, -0.0004212700000000, -0.0003841500000000 ] - [ -0.0007756800000000, -0.0034461000000000, -0.0014936000000000 ] - [ -0.0005142100000000, -0.0011431800000000, 0.0009020100000000 ] - [ -0.0019984100000000, 0.0007946200000000, 0.0003525500000000 ] - [ -0.0013251300000000, 0.0004183100000000, 0.0004352600000000 ] - [ 0.0043709200000000, -0.0000393200000000, -0.0001430500000000 ] - [ 0.0004152900000000, 0.0001961600000000, -0.0001735900000000 ] - [ -0.0036394600000000, 0.0003134800000000, 0.0005084200000000 ] - [ -0.0016689400000000, 0.0000218400000000, 0.0002208500000000 ] - [ -0.0014150600000000, -0.0006293900000000, 0.0005651400000000 ] - [ -0.0007500200000000, -0.0002475300000000, 0.0003719300000000 ] - [ 0.0021500000000000, 0.0024137100000000, -0.0005927500000000 ] - [ 0.0001029100000000, 0.0006439700000000, -0.0004935200000000 ] - [ 0.0016856400000000, 0.0001954800000000, 0.0004502000000000 ] - [ 0.0009953600000000, 0.0003310500000000, 0.0003654100000000 ] - [ 0.0016209300000000, -0.0013186800000000, -0.0004162000000000 ] - [ -0.0000440200000000, -0.0004405800000000, -0.0004789900000000 ] - [ 0.0028482900000000, 0.0000052900000000, -0.0001786000000000 ] - [ 0.0005883500000000, -0.0001098800000000, -0.0001547200000000 ] - [ 0.0038779600000000, -0.0014632700000000, 0.0006122900000000 ] - [ 0.0019619700000000, -0.0008698700000000, 0.0001899100000000 ] - [ -0.0007313000000000, 0.0022539900000000, -0.0003320500000000 ] - [ 0.0002771600000000, 0.0001573200000000, -0.0004600700000000 ] - [ 0.0599589800000000, -0.0322693800000000, -0.0016443600000000 ] - [ 0.0000549700000000, 0.0001352500000000, -0.0003619400000000 ] - [ 0.0024089000000000, -0.0023710500000000, -0.0001477600000000 ] - [ -0.0000060700000000, -0.0004005100000000, -0.0001882000000000 ] - [ 0.0676454200000000, 0.0341348200000000, -0.0000731200000000 ] - [ 0.0002039900000000, -0.0001757600000000, 0.0003912600000000 ] - [ 0.0054841800000000, -0.0012801600000000, 0.0002232000000000 ] - [ 0.0003927100000000, 0.0002509900000000, 0.0002823100000000 ] - [ -0.0001085600000000, -0.0000835800000000, 0.0003115400000000 ] - [ -0.0000460200000000, -0.0002122100000000, -0.0002954300000000 ] - [ 0.0033524600000000, -0.0012836700000000, 0.0019983700000000 ] - [ 0.0013716000000000, -0.0002152900000000, -0.0008296500000000 ] - [ -0.0014897200000000, -0.0004359700000000, -0.0001390000000000 ] - [ -0.0009221200000000, -0.0001665400000000, -0.0005920700000000 ] - [ -0.0227190900000000, 0.0016529500000000, 0.0020799200000000 ] - [ -0.0002589000000000, 0.0002795700000000, 0.0003013700000000 ] - [ 0.0000356700000000, 0.0001890500000000, -0.0002340200000000 ] - [ 0.0001391200000000, -0.0000355900000000, -0.0003339600000000 ] - [ 0.2378268700000000, -0.1580226100000000, 0.0067810800000000 ] - [ 0.0004544500000000, -0.0005326000000000, 0.0002774900000000 ] - [ -0.0009251900000000, -0.0020393900000000, 0.0000319600000000 ] - [ -0.0004167400000000, -0.0002139400000000, 0.0000287300000000 ] - [ -0.0015836000000000, 0.0023394800000000, 0.0002345200000000 ] - [ 0.0001640100000000, 0.0003750500000000, 0.0002452900000000 ] - [ 0.0025139500000000, -0.0044739700000000, 0.0002806800000000 ] - [ -0.0000423100000000, -0.0006291400000000, 0.0000765300000000 ] - [ -0.0026073400000000, 0.0008921400000000, 0.0003840300000000 ] - [ -0.0001836900000000, 0.0004161400000000, 0.0003656000000000 ] - [ -0.0034246400000000, -0.0003715000000000, 0.0003913200000000 ] - [ -0.0003351900000000, -0.0003419500000000, 0.0002301300000000 ] - [ 0.0017032400000000, 0.0006741100000000, -0.0005268200000000 ] - [ 0.0009721300000000, 0.0005065300000000, 0.0003107300000000 ] - [ -0.0028282800000000, 0.0005722500000000, 0.0002508900000000 ] - [ 0.0000354100000000, -0.0001991800000000, 0.0003927100000000 ] - [ -0.0029923000000000, -0.0000709700000000, -0.0007135700000000 ] - [ -0.0015337800000000, 0.0000001900000000, -0.0000876400000000 ] - [ -0.0015502400000000, 0.0013687000000000, -0.0004645600000000 ] - [ -0.0007555400000000, 0.0006979200000000, -0.0003072500000000 ] - [ -0.0005695300000000, -0.0029719100000000, 0.0003703300000000 ] - [ 0.0004343700000000, -0.0004320000000000, 0.0000654900000000 ] - [ -0.0013868500000000, -0.0003403700000000, -0.0000110200000000 ] - [ 0.0000168400000000, -0.0003228900000000, 0.0000507300000000 ] - [ 0.0027566800000000, 0.0000641200000000, 0.0002760600000000 ] - [ 0.0012349400000000, -0.0002056800000000, -0.0007619700000000 ] - [ -0.0033491100000000, 0.0004210600000000, 0.0004218800000000 ] - [ -0.0006598100000000, -0.0000113500000000, 0.0003643700000000 ] - [ 0.0018123200000000, 0.0011882000000000, 0.0032940900000000 ] - [ 0.0011258600000000, 0.0004727700000000, -0.0017180700000000 ] - [ -0.0022085200000000, -0.0006181100000000, 0.0000900100000000 ] - [ -0.0005548500000000, 0.0000174000000000, 0.0002400400000000 ] - [ -0.0001620700000000, 0.0012521000000000, 0.0007451900000000 ] - [ 0.0001918700000000, 0.0003557900000000, -0.0008396200000000 ] - [ 0.0009569600000000, 0.0008057500000000, 0.0001619800000000 ] - [ 0.0002379800000000, 0.0003813600000000, 0.0000310000000000 ] - [ 0.0018523300000000, -0.0009127600000000, -0.0014300900000000 ] - [ 0.0008230500000000, -0.0003802600000000, 0.0004061300000000 ] - [ -0.0022858800000000, -0.0003251000000000, 0.0008202500000000 ] - [ -0.0011221700000000, 0.0000442300000000, -0.0009976500000000 ] - [ 0.0014798400000000, -0.0017399700000000, 0.0008124400000000 ] - [ 0.0011358300000000, -0.0009074500000000, -0.0006795700000000 ] - [ -0.0027202600000000, 0.0011271200000000, -0.0028243100000000 ] - [ -0.0011853700000000, 0.0003080600000000, 0.0010105300000000 ] - [ 0.0036809600000000, 0.0005134400000000, -0.0016941100000000 ] - [ 0.0010460000000000, 0.0003743800000000, -0.0001188400000000 ] - [ -0.0027293500000000, -0.0013213000000000, -0.0012675300000000 ] - [ -0.0014300600000000, -0.0003733600000000, 0.0006540000000000 ] - [ 0.0001157700000000, -0.0009202700000000, -0.0000894300000000 ] - [ -0.0001290700000000, -0.0005815000000000, 0.0000598300000000 ] - [ 0.0074383700000000, 0.0224847800000000, 0.0008540100000000 ] - [ 0.0003744400000000, 0.0000724100000000, 0.0003635600000000 ] - [ 0.1773146300000000, 0.0407276800000000, 0.0038434700000000 ] - [ 0.0004846200000000, 0.0001348700000000, 0.0003763800000000 ] - [ -0.0016550300000000, 0.0019925700000000, 0.0001147300000000 ] - [ -0.0003168100000000, 0.0006946400000000, 0.0000792200000000 ] - [ -0.0004301200000000, 0.0014922200000000, -0.0010879500000000 ] - [ -0.0002341200000000, 0.0002540600000000, 0.0004589500000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019557400000000, -0.0031846000000000, -0.0030576800000000 ] - [ -0.0001531600000000, -0.0001940300000000, 0.0005775800000000 ] - [ -0.0022212100000000, 0.0008444300000000, -0.0012142600000000 ] - [ -0.0005718400000000, 0.0002869900000000, 0.0002880800000000 ] - [ 0.0002836300000000, -0.0006917800000000, 0.0000192800000000 ] - [ 0.0002038800000000, -0.0001841700000000, -0.0000209600000000 ] - [ 0.0021256300000000, 0.0024217400000000, 0.0026718100000000 ] - [ 0.0003863500000000, -0.0001448100000000, -0.0005313100000000 ] - [ -0.0042285000000000, -0.0025036100000000, 0.0043134700000000 ] - [ -0.0000629700000000, -0.0002992600000000, -0.0006726400000000 ] - [ -0.0001444600000000, 0.0014299900000000, -0.0004622500000000 ] - [ 0.0000266000000000, 0.0003818200000000, 0.0000390400000000 ] - [ -0.0055098700000000, 0.0021849400000000, 0.0022777200000000 ] - [ -0.0008148300000000, 0.0004446300000000, -0.0003588100000000 ] - [ -0.0138586800000000, -0.0079487400000000, -0.0097405900000000 ] - [ -0.0000457000000000, -0.0003770100000000, 0.0009491800000000 ] - [ -0.0053422800000000, -0.0083527000000000, 0.0057278900000000 ] - [ -0.0001219200000000, -0.0001716100000000, -0.0007821300000000 ] - [ 0.0005373800000000, -0.0012660600000000, 0.0001064500000000 ] - [ 0.0002987400000000, -0.0003400600000000, 0.0000011500000000 ] - [ -0.0003948600000000, 0.0035406700000000, 0.0007973100000000 ] - [ 0.0000243700000000, 0.0005247200000000, -0.0000870600000000 ] - [ 0.0051686000000000, 0.0085244700000000, -0.0056783200000000 ] - [ 0.0005130800000000, -0.0002164000000000, 0.0007612600000000 ] - [ 0.5362016500000000, -0.0913902000000000, 0.0116711300000000 ] - [ 0.0004853100000000, 0.0000051300000000, -0.0003764800000000 ] - [ 0.0059663500000000, -0.0005084100000000, 0.0050651400000000 ] - [ 0.0022014900000000, -0.0005528600000000, -0.0009612800000000 ] - [ 0.0002530100000000, -0.0012808000000000, 0.0005473300000000 ] - [ 0.0001543900000000, -0.0007634300000000, 0.0003803300000000 ] - [ -0.0036479300000000, -0.0008440300000000, 0.0004520900000000 ] - [ -0.0022539600000000, -0.0004191100000000, 0.0003558600000000 ] - [ 0.0223981300000000, 0.0147048800000000, -0.0004777200000000 ] - [ 0.0004598400000000, -0.0003015300000000, -0.0003919800000000 ] - [ 0.0003645300000000, 0.0037945500000000, 0.0018440000000000 ] - [ 0.0000924400000000, 0.0014831800000000, -0.0005524400000000 ] - [ 0.0017657600000000, -0.0015942300000000, 0.0005983000000000 ] - [ 0.0010922600000000, -0.0012194400000000, 0.0005146900000000 ] - [ -0.0044446300000000, 0.0005740900000000, -0.0002050600000000 ] - [ -0.0004994300000000, 0.0003463000000000, -0.0001752100000000 ] - [ 0.0041438500000000, -0.0001370400000000, -0.0001857400000000 ] - [ 0.0021756300000000, 0.0001704100000000, 0.0001354500000000 ] - [ 0.0008533700000000, 0.0012426500000000, 0.0003853000000000 ] - [ 0.0001898500000000, 0.0008585600000000, 0.0005783300000000 ] - [ -0.0023935300000000, -0.0015994200000000, -0.0003584800000000 ] - [ -0.0003540100000000, 0.0001644600000000, -0.0004574900000000 ] - [ -0.0016680800000000, 0.0005194000000000, 0.0003265400000000 ] - [ -0.0009789100000000, 0.0003870100000000, 0.0004111900000000 ] - [ -0.0021978700000000, 0.0007169200000000, -0.0005349100000000 ] - [ -0.0005347600000000, -0.0001631000000000, -0.0004722300000000 ] - [ -0.0023414000000000, -0.0002162600000000, -0.0001696700000000 ] - [ -0.0000814300000000, -0.0000936400000000, -0.0001939700000000 ] - [ -0.0032752000000000, 0.0010862300000000, 0.0001649900000000 ] - [ -0.0013621100000000, 0.0004951100000000, 0.0005861200000000 ] - [ 0.0015452100000000, -0.0024457400000000, -0.0006182900000000 ] - [ 0.0005308100000000, -0.0003407700000000, -0.0004899300000000 ] - [ -0.0602169800000000, 0.0326300200000000, 0.0008591700000000 ] - [ 0.0005652400000000, 0.0002411900000000, -0.0004145000000000 ] - [ -0.0028504700000000, 0.0020168000000000, -0.0002001600000000 ] - [ -0.0004275400000000, 0.0000661600000000, -0.0001606900000000 ] - [ -0.0685232700000000, -0.0350277100000000, 0.0008363500000000 ] - [ -0.0004301600000000, 0.0000571200000000, 0.0003656900000000 ] - [ -0.0049767700000000, 0.0017081100000000, 0.0003609100000000 ] - [ 0.0001752600000000, 0.0000723700000000, 0.0002934200000000 ] - [ 0.0004520300000000, -0.0006151200000000, -0.0003821200000000 ] - [ 0.0003922700000000, -0.0004860200000000, 0.0002255200000000 ] - [ -0.0032839700000000, 0.0019690300000000, -0.0024616500000000 ] - [ -0.0012934000000000, 0.0009081500000000, 0.0003648400000000 ] - [ 0.0012628700000000, 0.0005560500000000, -0.0006176500000000 ] - [ 0.0006974000000000, 0.0002848100000000, -0.0001638800000000 ] - [ 0.0220434200000000, -0.0012446400000000, -0.0014943900000000 ] - [ -0.0003234800000000, 0.0000503100000000, 0.0002743800000000 ] - [ 0.0005386900000000, -0.0005207400000000, -0.0003374900000000 ] - [ 0.0004363600000000, -0.0003000700000000, -0.0002401200000000 ] - [ -0.2285485100000000, 0.1466944100000000, -0.0056444800000000 ] - [ -0.0004750600000000, -0.0001261200000000, 0.0002963000000000 ] - [ 0.0001524800000000, 0.0019953600000000, 0.0000383900000000 ] - [ -0.0003561300000000, 0.0001691200000000, 0.0000417900000000 ] - [ 0.0021545600000000, -0.0019178400000000, 0.0002271100000000 ] - [ 0.0003994700000000, 0.0000432300000000, 0.0002174200000000 ] - [ -0.0032673400000000, 0.0037030600000000, -0.0001307500000000 ] - [ -0.0007068600000000, -0.0001585700000000, 0.0000741100000000 ] - [ 0.0027951600000000, -0.0001594100000000, 0.0003648700000000 ] - [ 0.0003743900000000, 0.0003087900000000, 0.0003835100000000 ] - [ 0.0034949400000000, -0.0003072600000000, 0.0000727800000000 ] - [ 0.0004167400000000, -0.0003413300000000, 0.0002333800000000 ] - [ -0.0012950300000000, -0.0000183600000000, 0.0004586100000000 ] - [ -0.0005604900000000, 0.0001515200000000, -0.0003809100000000 ] - [ 0.0033553500000000, -0.0010835100000000, 0.0004995400000000 ] - [ 0.0004976200000000, -0.0003294600000000, 0.0003594800000000 ] - [ 0.0030003500000000, -0.0001782800000000, -0.0000452700000000 ] - [ 0.0015441000000000, -0.0002523800000000, -0.0006668100000000 ] - [ 0.0017562300000000, -0.0012254800000000, -0.0002920600000000 ] - [ 0.0009631700000000, -0.0005564100000000, -0.0004491000000000 ] - [ 0.0016273200000000, 0.0027020000000000, -0.0002178700000000 ] - [ 0.0006258400000000, 0.0001789000000000, 0.0000859500000000 ] - [ 0.0018171300000000, -0.0003180600000000, 0.0000803800000000 ] - [ 0.0004161900000000, -0.0003347500000000, 0.0000188300000000 ] - [ -0.0025942000000000, -0.0007898200000000, -0.0010181000000000 ] - [ -0.0010659000000000, -0.0005198500000000, 0.0000089900000000 ] - [ 0.0026274800000000, -0.0006253700000000, 0.0003276500000000 ] - [ -0.0000554100000000, -0.0002013500000000, 0.0003858300000000 ] - [ -0.0012908500000000, -0.0006630000000000, -0.0040515100000000 ] - [ -0.0005976200000000, 0.0000538600000000, 0.0009697500000000 ] - [ 0.0015763100000000, 0.0009146700000000, 0.0003736800000000 ] - [ -0.0000779300000000, 0.0002738700000000, 0.0002242700000000 ] - [ 0.0007219400000000, -0.0016566300000000, -0.0012130500000000 ] - [ 0.0003700900000000, -0.0007586500000000, 0.0003757500000000 ] - [ -0.0005962100000000, -0.0001144700000000, -0.0000929900000000 ] - [ 0.0001246800000000, 0.0003070700000000, 0.0000389400000000 ] - [ -0.0024671000000000, 0.0006413100000000, 0.0009703100000000 ] - [ -0.0014487100000000, 0.0001068200000000, -0.0008723300000000 ] - [ 0.0022810700000000, 0.0009798400000000, -0.0013963500000000 ] - [ 0.0011180800000000, 0.0006093900000000, 0.0004258600000000 ] - [ -0.0004213900000000, 0.0019973000000000, -0.0009652100000000 ] - [ -0.0000785500000000, 0.0011649100000000, 0.0005285700000000 ] - [ 0.0021626200000000, -0.0014661100000000, 0.0022454900000000 ] - [ 0.0006284500000000, -0.0006533100000000, -0.0015800900000000 ] - [ -0.0044076700000000, -0.0003141300000000, 0.0009724100000000 ] - [ -0.0017714400000000, -0.0001782300000000, -0.0006408200000000 ] - [ 0.0019697100000000, 0.0020958300000000, 0.0011059300000000 ] - [ 0.0006788800000000, 0.0011620500000000, -0.0007992500000000 ] - [ -0.0009012100000000, 0.0009634400000000, 0.0000191200000000 ] - [ -0.0006568300000000, 0.0006248600000000, -0.0001299000000000 ] - [ -0.0072656700000000, -0.0227724500000000, -0.0001049300000000 ] - [ -0.0001630700000000, -0.0002102500000000, 0.0003931500000000 ] - [ -0.1927474600000000, -0.0450388500000000, -0.0033661700000000 ] - [ -0.0004697400000000, 0.0001146800000000, 0.0003800600000000 ] - [ 0.0013524400000000, -0.0009535300000000, 0.0000353800000000 ] - [ 0.0000121600000000, 0.0003472600000000, 0.0000713400000000 ] - [ 0.0001252000000000, -0.0025362600000000, 0.0009378700000000 ] - [ -0.0000741500000000, -0.0012983900000000, -0.0006125600000000 ]- atom: 25 displacement: [ -0.0050000000040513, 0.0086602540355054, 0.0000000000000000 ] forces: - [ 0.0000962300000000, -0.0011010500000000, -0.0009225900000000 ] - [ 0.0000709600000000, -0.0000013700000000, 0.0001315200000000 ] - [ -0.0015254000000000, 0.0001448200000000, -0.0006700200000000 ] - [ -0.0004776400000000, 0.0001355600000000, 0.0001289000000000 ] - [ 0.0016662300000000, 0.0017726300000000, -0.0017892000000000 ] - [ 0.0003620800000000, 0.0001855300000000, 0.0003973500000000 ] - [ 0.0002169300000000, 0.0050739800000000, 0.0053726400000000 ] - [ 0.0001360600000000, -0.0000810400000000, -0.0008646100000000 ] - [ -0.0008440700000000, -0.0044021200000000, 0.0018388800000000 ] - [ 0.0001587200000000, -0.0005886500000000, -0.0004325000000000 ] - [ -0.0013972600000000, 0.0020244000000000, -0.0011117000000000 ] - [ -0.0002271000000000, 0.0004915100000000, 0.0002353400000000 ] - [ -0.0037446700000000, 0.0003465100000000, 0.0011673800000000 ] - [ -0.0006746500000000, 0.0002269100000000, -0.0001967400000000 ] - [ -0.0048412600000000, -0.0135170600000000, -0.0050027700000000 ] - [ 0.0001636600000000, -0.0007716100000000, 0.0005621800000000 ] - [ -0.0003502600000000, -0.0032789500000000, 0.0020641400000000 ] - [ 0.0001212500000000, 0.0000251900000000, -0.0002293000000000 ] - [ 0.0041191600000000, 0.0042890900000000, 0.0030333400000000 ] - [ 0.0005395300000000, 0.0001402500000000, -0.0004953700000000 ] - [ -0.0037911200000000, 0.0049676800000000, 0.0022224300000000 ] - [ -0.0003487900000000, 0.0006575400000000, -0.0003141100000000 ] - [ 0.0008368300000000, 0.0159922200000000, -0.0103851400000000 ] - [ 0.0001911700000000, -0.0001547900000000, 0.0012068100000000 ] - [ 0.3420879100000000, -0.4638919400000000, 0.0132069700000000 ] - [ 0.0002270200000000, -0.0004685600000000, -0.0003755300000000 ] - [ 0.0027224600000000, -0.0056036900000000, 0.0010010600000000 ] - [ 0.0009936400000000, -0.0024747600000000, -0.0001986700000000 ] - [ 0.0009631300000000, -0.0013286100000000, 0.0006382800000000 ] - [ 0.0006413700000000, -0.0005864700000000, 0.0003831700000000 ] - [ -0.0025574900000000, 0.0000704500000000, 0.0003624100000000 ] - [ -0.0014947800000000, 0.0000104000000000, 0.0004310900000000 ] - [ -0.0248893000000000, 0.0550043400000000, 0.0007077500000000 ] - [ 0.0002043000000000, -0.0005439800000000, -0.0004132800000000 ] - [ -0.0023550300000000, -0.0003572300000000, 0.0019713700000000 ] - [ -0.0010188000000000, -0.0001270300000000, -0.0006101400000000 ] - [ 0.0022018000000000, -0.0005007300000000, 0.0005455400000000 ] - [ 0.0014578900000000, -0.0004439500000000, 0.0004887500000000 ] - [ -0.0041787900000000, -0.0004719600000000, -0.0002184700000000 ] - [ -0.0003776300000000, 0.0001994400000000, -0.0001731400000000 ] - [ 0.0020792300000000, -0.0028056800000000, 0.0049569300000000 ] - [ 0.0013687800000000, -0.0010907500000000, -0.0010347000000000 ] - [ 0.0005579500000000, 0.0015844000000000, 0.0003227500000000 ] - [ 0.0000401400000000, 0.0012276700000000, 0.0006485300000000 ] - [ 0.0008547500000000, 0.0017568200000000, -0.0005900100000000 ] - [ -0.0000332300000000, 0.0004130000000000, -0.0004683600000000 ] - [ -0.0016616800000000, 0.0024558800000000, 0.0003682600000000 ] - [ -0.0009344000000000, 0.0015043400000000, 0.0003892400000000 ] - [ -0.0021070500000000, 0.0025495400000000, -0.0005592000000000 ] - [ -0.0005327600000000, 0.0000454900000000, -0.0004751200000000 ] - [ -0.0017148800000000, 0.0012235800000000, -0.0001755000000000 ] - [ -0.0000152800000000, 0.0000771200000000, -0.0001979400000000 ] - [ -0.0037335000000000, 0.0016082600000000, 0.0001189500000000 ] - [ -0.0015846600000000, 0.0006423300000000, 0.0005823900000000 ] - [ 0.0018205300000000, 0.0028247800000000, -0.0003933200000000 ] - [ 0.0006662500000000, 0.0001140200000000, -0.0004747700000000 ] - [ -0.0349588200000000, -0.0075517300000000, 0.0000996300000000 ] - [ 0.0003694100000000, -0.0001664200000000, -0.0004033600000000 ] - [ -0.0039680400000000, 0.0029116700000000, -0.0002055800000000 ] - [ -0.0005805000000000, 0.0000483100000000, -0.0001647000000000 ] - [ -0.0079404300000000, 0.1491705200000000, -0.0026444800000000 ] - [ -0.0003142600000000, 0.0003672200000000, 0.0003803300000000 ] - [ 0.0019980900000000, -0.0178020700000000, -0.0012840800000000 ] - [ 0.0003157700000000, 0.0001844300000000, 0.0002721300000000 ] - [ 0.0001267700000000, -0.0007594300000000, -0.0003092700000000 ] - [ 0.0001134700000000, -0.0007060700000000, 0.0001528300000000 ] - [ -0.0027400300000000, 0.0032380000000000, 0.0012342900000000 ] - [ -0.0010152300000000, 0.0016966600000000, -0.0008725600000000 ] - [ 0.0006099600000000, -0.0005707900000000, -0.0004707000000000 ] - [ 0.0002864200000000, -0.0003043300000000, -0.0003043400000000 ] - [ 0.0064323200000000, 0.0036695800000000, -0.0003884100000000 ] - [ -0.0002268400000000, 0.0002553000000000, 0.0002950700000000 ] - [ 0.0009315100000000, -0.0019882800000000, -0.0011165400000000 ] - [ 0.0006777300000000, -0.0010289100000000, 0.0002660300000000 ] - [ -0.2393939700000000, 0.2304362500000000, -0.0067315400000000 ] - [ -0.0003673300000000, 0.0001642200000000, 0.0003075200000000 ] - [ -0.0017548000000000, -0.0019764800000000, 0.0000667200000000 ] - [ -0.0005731300000000, -0.0001329900000000, 0.0000301600000000 ] - [ 0.0032903800000000, -0.0028741200000000, 0.0002322800000000 ] - [ 0.0006043300000000, -0.0000480300000000, 0.0002256800000000 ] - [ -0.0034921900000000, -0.0017443200000000, 0.0000040500000000 ] - [ -0.0006822700000000, -0.0004537500000000, 0.0000937800000000 ] - [ 0.0030059500000000, -0.0014728700000000, 0.0003162300000000 ] - [ 0.0003913200000000, 0.0002240900000000, 0.0003838300000000 ] - [ 0.0024167100000000, 0.0004117500000000, 0.0001308100000000 ] - [ 0.0002397000000000, -0.0002533900000000, 0.0002297500000000 ] - [ -0.0013987300000000, -0.0005853700000000, 0.0007436300000000 ] - [ -0.0007070100000000, -0.0002401300000000, -0.0006439400000000 ] - [ 0.0041173000000000, -0.0015308000000000, 0.0005420100000000 ] - [ 0.0004877600000000, -0.0002828700000000, 0.0003573200000000 ] - [ 0.0025260400000000, -0.0002063500000000, -0.0001403100000000 ] - [ 0.0012170000000000, -0.0002119700000000, -0.0005264900000000 ] - [ 0.0021187200000000, -0.0020185000000000, -0.0003033200000000 ] - [ 0.0011318800000000, -0.0009319400000000, -0.0004684700000000 ] - [ -0.0028482500000000, 0.0000375200000000, -0.0004660300000000 ] - [ 0.0003854900000000, 0.0000654700000000, 0.0000810200000000 ] - [ -0.0002305500000000, -0.0011168200000000, 0.0001104900000000 ] - [ 0.0002394400000000, -0.0004028300000000, 0.0000333300000000 ] - [ -0.0000909800000000, 0.0005996400000000, -0.0028395000000000 ] - [ -0.0001336900000000, 0.0001379900000000, 0.0007070500000000 ] - [ 0.0020522400000000, -0.0012414400000000, 0.0003676400000000 ] - [ -0.0001587600000000, -0.0002428700000000, 0.0003927000000000 ] - [ -0.0007916600000000, 0.0023017900000000, -0.0020849500000000 ] - [ -0.0002872200000000, 0.0011997600000000, 0.0003883400000000 ] - [ 0.0006599700000000, -0.0010574700000000, 0.0003539300000000 ] - [ -0.0001893200000000, -0.0000587000000000, 0.0002278800000000 ] - [ 0.0016492800000000, -0.0005329400000000, -0.0012673300000000 ] - [ 0.0007849200000000, -0.0003031400000000, 0.0004032400000000 ] - [ 0.0000746600000000, -0.0023765500000000, -0.0001456600000000 ] - [ 0.0001313500000000, 0.0000924700000000, 0.0000368000000000 ] - [ -0.0024901000000000, 0.0011146600000000, -0.0026081900000000 ] - [ -0.0011879700000000, 0.0004991200000000, 0.0004044400000000 ] - [ 0.0012048200000000, 0.0007494200000000, -0.0006867000000000 ] - [ 0.0005506500000000, 0.0005199900000000, -0.0000443900000000 ] - [ -0.0009277700000000, 0.0003860100000000, -0.0007424400000000 ] - [ -0.0003364300000000, 0.0003047800000000, 0.0003497800000000 ] - [ 0.0030248900000000, -0.0008588800000000, 0.0026936400000000 ] - [ 0.0010573200000000, -0.0002188700000000, -0.0017617500000000 ] - [ -0.0016909600000000, 0.0041182300000000, -0.0002302200000000 ] - [ -0.0007863100000000, 0.0013266700000000, -0.0003271600000000 ] - [ 0.0013190700000000, 0.0021567400000000, 0.0012372100000000 ] - [ 0.0002119100000000, 0.0009812300000000, -0.0006612600000000 ] - [ -0.0015046300000000, 0.0003929100000000, -0.0002969800000000 ] - [ -0.0010104000000000, 0.0001950900000000, 0.0001304200000000 ] - [ 0.0148213700000000, -0.0010230400000000, -0.0001737600000000 ] - [ 0.0000706900000000, 0.0001012900000000, 0.0003982900000000 ] - [ -0.0500143900000000, 0.0452542600000000, -0.0008108700000000 ] - [ -0.0002844700000000, 0.0003382300000000, 0.0003657300000000 ] - [ 0.0020202200000000, -0.0009852500000000, 0.0000919200000000 ] - [ 0.0001134400000000, 0.0003569200000000, 0.0000671300000000 ] - [ 0.0008704500000000, -0.0032294900000000, 0.0009078400000000 ] - [ 0.0002722500000000, -0.0017116400000000, -0.0006997300000000 ]- atom: 25 displacement: [ 0.0050000000040513, -0.0086602540355054, 0.0000000000000000 ] forces: - [ -0.0002272400000000, 0.0013492900000000, 0.0009311800000000 ] - [ -0.0002056600000000, 0.0002358400000000, -0.0001327100000000 ] - [ 0.0013795600000000, 0.0001120300000000, 0.0006727700000000 ] - [ 0.0003285200000000, 0.0001242000000000, -0.0001295200000000 ] - [ -0.0013684600000000, -0.0017775100000000, 0.0017932000000000 ] - [ -0.0000609600000000, -0.0001858600000000, -0.0003977600000000 ] - [ -0.0003664100000000, -0.0053636400000000, -0.0054204900000000 ] - [ -0.0002873200000000, -0.0001761900000000, 0.0008679200000000 ] - [ 0.0007031900000000, 0.0041808200000000, -0.0018491400000000 ] - [ -0.0002962900000000, 0.0003541400000000, 0.0004330500000000 ] - [ 0.0016710300000000, -0.0020286700000000, 0.0011114700000000 ] - [ 0.0004987500000000, -0.0004935300000000, -0.0002349800000000 ] - [ 0.0035357000000000, 0.0000262000000000, -0.0011736700000000 ] - [ 0.0004545900000000, 0.0001561800000000, 0.0001981000000000 ] - [ 0.0046324000000000, 0.0132144200000000, 0.0050248900000000 ] - [ -0.0003641700000000, 0.0004296000000000, -0.0005630700000000 ] - [ 0.0001624300000000, 0.0036601000000000, -0.0020796400000000 ] - [ -0.0003187300000000, 0.0003209800000000, 0.0002317300000000 ] - [ -0.0036847400000000, -0.0042987100000000, -0.0030390800000000 ] - [ -0.0000962800000000, -0.0001418000000000, 0.0004959600000000 ] - [ 0.0041995500000000, -0.0049749200000000, -0.0022226100000000 ] - [ 0.0007488300000000, -0.0006606000000000, 0.0003139200000000 ] - [ -0.0010480900000000, -0.0164876500000000, 0.0104833400000000 ] - [ -0.0004160600000000, -0.0002275200000000, -0.0012128600000000 ] - [ -0.3631360600000000, 0.4681687600000000, -0.0147326300000000 ] - [ -0.0008497700000000, 0.0008043600000000, -0.0004002700000000 ] - [ -0.0027887500000000, 0.0050840100000000, -0.0006906300000000 ] - [ -0.0010651900000000, 0.0019424600000000, 0.0005577600000000 ] - [ -0.0001411900000000, 0.0015185500000000, 0.0003118300000000 ] - [ 0.0001824100000000, 0.0007713500000000, 0.0005664600000000 ] - [ 0.0019331300000000, -0.0004140700000000, 0.0004144900000000 ] - [ 0.0008665200000000, -0.0003552100000000, 0.0003462100000000 ] - [ 0.0249622100000000, -0.0549794200000000, -0.0014960000000000 ] - [ -0.0001850000000000, -0.0001787800000000, -0.0003627400000000 ] - [ 0.0019294200000000, 0.0006790900000000, -0.0016236000000000 ] - [ 0.0005923600000000, 0.0004597500000000, 0.0009609100000000 ] - [ -0.0024489900000000, -0.0003004600000000, 0.0004048700000000 ] - [ -0.0017001800000000, -0.0003580900000000, 0.0004607000000000 ] - [ 0.0041127800000000, 0.0010205200000000, -0.0001301000000000 ] - [ 0.0002952400000000, 0.0003453100000000, -0.0001755800000000 ] - [ -0.0015697800000000, 0.0029815700000000, -0.0046234800000000 ] - [ -0.0008594900000000, 0.0012835500000000, 0.0013894800000000 ] - [ -0.0011321000000000, -0.0009861700000000, 0.0006284000000000 ] - [ -0.0006074800000000, -0.0006265700000000, 0.0003010900000000 ] - [ -0.0011037500000000, -0.0009518800000000, -0.0003607900000000 ] - [ -0.0002175900000000, 0.0003944900000000, -0.0004823900000000 ] - [ 0.0016857800000000, -0.0017374800000000, 0.0004086100000000 ] - [ 0.0009560500000000, -0.0007842500000000, 0.0003875600000000 ] - [ 0.0015315900000000, -0.0031677300000000, -0.0003917500000000 ] - [ -0.0000473200000000, -0.0006508300000000, -0.0004762100000000 ] - [ 0.0022328200000000, -0.0014246900000000, -0.0001730400000000 ] - [ 0.0005243500000000, -0.0002798000000000, -0.0001507700000000 ] - [ 0.0043506900000000, -0.0019824200000000, 0.0006578700000000 ] - [ 0.0021933300000000, -0.0010142600000000, 0.0001940500000000 ] - [ -0.0010171000000000, -0.0030249300000000, -0.0005571200000000 ] - [ 0.0001404400000000, -0.0002975000000000, -0.0004751900000000 ] - [ 0.0353614700000000, 0.0076748900000000, -0.0008783900000000 ] - [ 0.0002476300000000, 0.0005416800000000, -0.0003730300000000 ] - [ 0.0035546500000000, -0.0032461700000000, -0.0001425900000000 ] - [ 0.0001486900000000, -0.0003815500000000, -0.0001845200000000 ] - [ 0.0099153600000000, -0.1400781200000000, 0.0032242700000000 ] - [ 0.0000898100000000, -0.0004856300000000, 0.0003759100000000 ] - [ -0.0015143700000000, 0.0182331800000000, 0.0018716800000000 ] - [ 0.0002518500000000, 0.0001392800000000, 0.0003027300000000 ] - [ 0.0002230000000000, 0.0000743200000000, 0.0002398400000000 ] - [ 0.0002365700000000, 0.0000156600000000, -0.0002234000000000 ] - [ 0.0028348600000000, -0.0025658200000000, -0.0016935700000000 ] - [ 0.0011021100000000, -0.0010095700000000, 0.0004089300000000 ] - [ -0.0008401500000000, 0.0006847300000000, -0.0002842200000000 ] - [ -0.0005132600000000, 0.0004192200000000, -0.0004520700000000 ] - [ -0.0071398200000000, -0.0032878900000000, 0.0009731700000000 ] - [ -0.0003538400000000, 0.0000750900000000, 0.0002800700000000 ] - [ -0.0003590400000000, 0.0016542900000000, 0.0005446000000000 ] - [ -0.0001038300000000, 0.0006925000000000, -0.0008391500000000 ] - [ 0.2575010100000000, -0.2447580800000000, 0.0082041500000000 ] - [ 0.0003470100000000, -0.0008247400000000, 0.0002657300000000 ] - [ 0.0009875900000000, 0.0019429800000000, 0.0000034900000000 ] - [ -0.0001987900000000, 0.0000887600000000, 0.0000400400000000 ] - [ -0.0027479900000000, 0.0032995400000000, 0.0002298500000000 ] - [ -0.0000426200000000, 0.0004662300000000, 0.0002368000000000 ] - [ 0.0027669700000000, 0.0009678800000000, 0.0001458000000000 ] - [ -0.0000645200000000, -0.0003355700000000, 0.0000568000000000 ] - [ -0.0028328800000000, 0.0021978300000000, 0.0004321700000000 ] - [ -0.0002021500000000, 0.0005003800000000, 0.0003644500000000 ] - [ -0.0023450000000000, -0.0010969900000000, 0.0003317700000000 ] - [ -0.0001592700000000, -0.0004306600000000, 0.0002330200000000 ] - [ 0.0018208700000000, 0.0012485200000000, -0.0008175400000000 ] - [ 0.0011257900000000, 0.0009016400000000, 0.0005776400000000 ] - [ -0.0035973900000000, 0.0009983100000000, 0.0002077900000000 ] - [ 0.0000430800000000, -0.0002467500000000, 0.0003939000000000 ] - [ -0.0025268000000000, -0.0000473200000000, -0.0006157700000000 ] - [ -0.0012123400000000, -0.0000429900000000, -0.0002289500000000 ] - [ -0.0019194600000000, 0.0021602900000000, -0.0004536100000000 ] - [ -0.0009287400000000, 0.0010727100000000, -0.0002860100000000 ] - [ 0.0039113200000000, -0.0002934900000000, 0.0006183900000000 ] - [ 0.0006761600000000, -0.0003168100000000, 0.0000699800000000 ] - [ 0.0006644500000000, 0.0004668100000000, -0.0000414400000000 ] - [ 0.0001932700000000, -0.0002533200000000, 0.0000358400000000 ] - [ 0.0002619000000000, -0.0013177500000000, 0.0020903700000000 ] - [ 0.0003048900000000, -0.0008611200000000, -0.0014566500000000 ] - [ -0.0027778700000000, 0.0010291500000000, 0.0003819600000000 ] - [ -0.0005565800000000, 0.0000298200000000, 0.0003565600000000 ] - [ 0.0013234000000000, -0.0017710800000000, 0.0013486900000000 ] - [ 0.0008189500000000, -0.0006729400000000, -0.0011425400000000 ] - [ -0.0012979000000000, 0.0013464000000000, 0.0001091000000000 ] - [ -0.0004435800000000, 0.0003492600000000, 0.0002357800000000 ] - [ -0.0010878200000000, 0.0001374800000000, 0.0008033200000000 ] - [ -0.0002220500000000, -0.0000960700000000, -0.0008683400000000 ] - [ 0.0002907500000000, 0.0030812600000000, 0.0002154200000000 ] - [ 0.0002314000000000, 0.0005972200000000, 0.0000329000000000 ] - [ 0.0018696000000000, -0.0013832100000000, 0.0021452700000000 ] - [ 0.0005604600000000, -0.0007714500000000, -0.0008706700000000 ] - [ -0.0012172300000000, -0.0000987000000000, 0.0001163900000000 ] - [ -0.0005587200000000, 0.0001310300000000, -0.0005310200000000 ] - [ 0.0019927100000000, -0.0001369600000000, 0.0005930700000000 ] - [ 0.0013985200000000, -0.0000525300000000, -0.0005032200000000 ] - [ -0.0036003600000000, 0.0005095200000000, -0.0032791800000000 ] - [ -0.0016226600000000, -0.0001321400000000, 0.0011976200000000 ] - [ 0.0009711600000000, -0.0039226600000000, -0.0004968300000000 ] - [ 0.0000631800000000, -0.0011326300000000, -0.0004306200000000 ] - [ -0.0020733200000000, -0.0013700900000000, -0.0013919000000000 ] - [ -0.0009606200000000, -0.0001852900000000, 0.0005110100000000 ] - [ 0.0007220700000000, -0.0003447800000000, 0.0002272900000000 ] - [ 0.0002263500000000, -0.0001485400000000, -0.0001999900000000 ] - [ -0.0145940300000000, 0.0009679900000000, 0.0009265800000000 ] - [ 0.0001406500000000, -0.0002370500000000, 0.0003578100000000 ] - [ 0.0504406200000000, -0.0451563700000000, 0.0015615500000000 ] - [ 0.0003010000000000, -0.0000896500000000, 0.0003901900000000 ] - [ -0.0023251700000000, 0.0020338400000000, 0.0000580800000000 ] - [ -0.0004184000000000, 0.0006866900000000, 0.0000834300000000 ] - [ -0.0011766700000000, 0.0022045900000000, -0.0010687900000000 ] - [ -0.0005793900000000, 0.0006750400000000, 0.0005528700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003382100000000, 0.0003130700000000, -0.0001485300000000 ] - [ -0.0002663900000000, -0.0000144200000000, 0.0002925200000000 ] - [ 0.0000113300000000, 0.0001190800000000, -0.0001145200000000 ] - [ -0.0001653600000000, 0.0001441500000000, 0.0001829300000000 ] - [ 0.0001229000000000, -0.0000787600000000, -0.0001736100000000 ] - [ 0.0001901500000000, 0.0001465700000000, 0.0002299700000000 ] - [ -0.0008815500000000, 0.0021817200000000, 0.0007942600000000 ] - [ 0.0000793100000000, -0.0004035100000000, 0.0003611000000000 ] - [ -0.0027036900000000, -0.0005540000000000, 0.0008527400000000 ] - [ 0.0002827900000000, -0.0001156500000000, 0.0004071300000000 ] - [ 0.0002116400000000, -0.0001474400000000, -0.0000963100000000 ] - [ 0.0000849200000000, 0.0001014800000000, 0.0001995500000000 ] - [ -0.0001431400000000, 0.0000852600000000, -0.0005626900000000 ] - [ -0.0000054400000000, 0.0002038600000000, 0.0003373900000000 ] - [ 0.0055043700000000, 0.0007788700000000, 0.0001944300000000 ] - [ -0.0003873700000000, -0.0001404900000000, 0.0005930400000000 ] - [ -0.0005111400000000, 0.0004436000000000, -0.0010643000000000 ] - [ 0.0001090400000000, 0.0003260800000000, 0.0004495000000000 ] - [ 0.0001139900000000, 0.0000117900000000, -0.0007306800000000 ] - [ 0.0001801800000000, -0.0001899300000000, 0.0003708300000000 ] - [ 0.0001917300000000, 0.0001175000000000, -0.0005895300000000 ] - [ 0.0002484700000000, -0.0001504100000000, 0.0003457300000000 ] - [ 0.0012326800000000, -0.0039237600000000, 0.0000657700000000 ] - [ -0.0002581100000000, 0.0000464300000000, 0.0004724600000000 ] - [ -0.0121563100000000, 0.0088574300000000, -0.1541144000000000 ] - [ -0.0003208000000000, 0.0001737500000000, -0.0000234200000000 ] - [ -0.0047818200000000, -0.0027228400000000, 0.0027783200000000 ] - [ 0.0008917300000000, 0.0004364100000000, 0.0010784700000000 ] - [ 0.0004902200000000, 0.0001398000000000, 0.0004533100000000 ] - [ 0.0003686300000000, -0.0000182400000000, 0.0004961600000000 ] - [ -0.0002521000000000, -0.0002392500000000, 0.0003609800000000 ] - [ -0.0003483900000000, -0.0001046700000000, 0.0004129700000000 ] - [ 0.0008013800000000, -0.0013957100000000, 0.0029538500000000 ] - [ -0.0000021600000000, -0.0003331500000000, -0.0001592700000000 ] - [ -0.0018280700000000, 0.0014240000000000, 0.0001994000000000 ] - [ 0.0004772700000000, -0.0003710400000000, 0.0004682500000000 ] - [ -0.0001285500000000, -0.0004446100000000, 0.0004557200000000 ] - [ -0.0001381500000000, -0.0003958900000000, 0.0005039200000000 ] - [ 0.0000741200000000, 0.0002934000000000, -0.0002431200000000 ] - [ -0.0000356200000000, 0.0002754700000000, -0.0001116900000000 ] - [ 0.0010876000000000, 0.0059002900000000, 0.0010617900000000 ] - [ -0.0000533300000000, -0.0012385300000000, 0.0007792100000000 ] - [ -0.0002233800000000, 0.0003113100000000, 0.0004330600000000 ] - [ -0.0002894300000000, 0.0002742800000000, 0.0004921800000000 ] - [ -0.0001516400000000, 0.0003525000000000, -0.0005274900000000 ] - [ -0.0001170800000000, 0.0003966700000000, -0.0004196100000000 ] - [ 0.0000512800000000, 0.0004060400000000, 0.0003709600000000 ] - [ -0.0000131400000000, 0.0003458500000000, 0.0004138200000000 ] - [ -0.0002898800000000, -0.0002999200000000, -0.0005247000000000 ] - [ -0.0002704900000000, -0.0003252100000000, -0.0004246800000000 ] - [ 0.0002770300000000, -0.0001121900000000, -0.0002311700000000 ] - [ 0.0002447900000000, -0.0000993600000000, -0.0001177000000000 ] - [ 0.0005722700000000, -0.0002883400000000, 0.0003656500000000 ] - [ 0.0001064000000000, -0.0000692400000000, 0.0004019500000000 ] - [ 0.0003998100000000, -0.0000452900000000, -0.0005000200000000 ] - [ 0.0003975400000000, -0.0000995800000000, -0.0004177900000000 ] - [ 0.0014420000000000, -0.0005742800000000, 0.0029537200000000 ] - [ 0.0002795500000000, 0.0001982100000000, -0.0001595400000000 ] - [ -0.0001177500000000, -0.0002507300000000, -0.0001979100000000 ] - [ -0.0002055300000000, -0.0001674300000000, -0.0001153200000000 ] - [ -0.0004267600000000, -0.0027670600000000, 0.0483235000000000 ] - [ -0.0000992800000000, -0.0000677000000000, 0.0000823800000000 ] - [ -0.0000453300000000, 0.0012138500000000, -0.0026881700000000 ] - [ 0.0002871700000000, 0.0001521600000000, 0.0000301400000000 ] - [ 0.0001469300000000, -0.0003493300000000, -0.0000292400000000 ] - [ 0.0002011100000000, -0.0003065400000000, -0.0000673700000000 ] - [ 0.0010875500000000, 0.0022005000000000, -0.0008132800000000 ] - [ -0.0001733000000000, -0.0002461900000000, -0.0008172400000000 ] - [ -0.0001672200000000, 0.0000607000000000, -0.0003356300000000 ] - [ -0.0000929800000000, 0.0000276800000000, -0.0004015400000000 ] - [ -0.0014688100000000, 0.0003520900000000, -0.0027046900000000 ] - [ -0.0002765900000000, 0.0001587400000000, 0.0000200300000000 ] - [ 0.0002726900000000, -0.0002623100000000, -0.0002252200000000 ] - [ 0.0002991200000000, -0.0001226200000000, -0.0003555900000000 ] - [ 0.0080142900000000, -0.0069850800000000, 0.0556393800000000 ] - [ -0.0000055800000000, -0.0003418000000000, -0.0001284100000000 ] - [ -0.0004011100000000, -0.0000248400000000, 0.0000892800000000 ] - [ -0.0003824400000000, -0.0000139100000000, -0.0000361600000000 ] - [ 0.0001891700000000, 0.0002917000000000, 0.0004893800000000 ] - [ 0.0002793000000000, 0.0002220200000000, -0.0000000500000000 ] - [ -0.0003624300000000, -0.0004758600000000, 0.0004637300000000 ] - [ -0.0003726600000000, -0.0004029400000000, -0.0001742000000000 ] - [ 0.0000160300000000, 0.0004230700000000, 0.0004605000000000 ] - [ 0.0000958400000000, 0.0003632300000000, 0.0003144900000000 ] - [ -0.0000848900000000, -0.0003295100000000, 0.0006438800000000 ] - [ 0.0000344900000000, -0.0003558500000000, -0.0000010600000000 ] - [ 0.0001213100000000, 0.0003812700000000, 0.0000680100000000 ] - [ 0.0002454100000000, 0.0003241400000000, -0.0000400000000000 ] - [ 0.0001094400000000, -0.0001967700000000, 0.0003587600000000 ] - [ 0.0002592400000000, -0.0002663200000000, 0.0002803600000000 ] - [ -0.0001432000000000, -0.0001105000000000, -0.0003693300000000 ] - [ 0.0000981600000000, -0.0001563600000000, -0.0004325000000000 ] - [ 0.0000006400000000, 0.0001804200000000, -0.0003647600000000 ] - [ 0.0001629500000000, -0.0000116200000000, -0.0003983200000000 ] - [ 0.0006247700000000, -0.0000894300000000, 0.0004093000000000 ] - [ 0.0005397400000000, -0.0001247900000000, -0.0001681100000000 ] - [ 0.0002482200000000, -0.0003220900000000, 0.0001184900000000 ] - [ 0.0002069900000000, -0.0003194800000000, -0.0000348800000000 ] - [ 0.0011710400000000, -0.0015344000000000, -0.0003478300000000 ] - [ -0.0002165700000000, -0.0000355300000000, -0.0006699700000000 ] - [ -0.0004281800000000, -0.0000975900000000, 0.0004528700000000 ] - [ -0.0003563000000000, -0.0001065500000000, 0.0003010000000000 ] - [ 0.0018206800000000, -0.0004168900000000, -0.0003146800000000 ] - [ -0.0001236300000000, 0.0004466600000000, -0.0007484000000000 ] - [ -0.0003184500000000, 0.0001377200000000, 0.0004524500000000 ] - [ -0.0003229500000000, 0.0001522400000000, -0.0000017900000000 ] - [ 0.0012232100000000, -0.0008249300000000, -0.0000452100000000 ] - [ -0.0001407100000000, 0.0000820000000000, -0.0003948400000000 ] - [ 0.0001973700000000, 0.0003503100000000, 0.0001162600000000 ] - [ 0.0001790700000000, 0.0003581300000000, -0.0000517500000000 ] - [ -0.0016787500000000, -0.0019132500000000, 0.0001154100000000 ] - [ 0.0001093300000000, 0.0003806200000000, -0.0005916700000000 ] - [ 0.0000557300000000, 0.0003611100000000, -0.0001982300000000 ] - [ -0.0000481100000000, 0.0003003100000000, -0.0003686000000000 ] - [ 0.0006193300000000, 0.0001762400000000, 0.0000373900000000 ] - [ 0.0005052800000000, 0.0000955900000000, -0.0001441800000000 ] - [ -0.0006550000000000, 0.0001095200000000, -0.0001266000000000 ] - [ -0.0000913500000000, -0.0003311500000000, -0.0004546600000000 ] - [ 0.0007066800000000, -0.0013488900000000, -0.0039335200000000 ] - [ -0.0006049900000000, 0.0004450500000000, -0.0016450000000000 ] - [ -0.0004587600000000, 0.0003650000000000, 0.0000219700000000 ] - [ -0.0003050800000000, 0.0004778000000000, -0.0002089200000000 ] - [ -0.0004278100000000, -0.0000158100000000, -0.0000018400000000 ] - [ -0.0003819800000000, 0.0000738400000000, -0.0000640800000000 ] - [ -0.0003981300000000, 0.0004997600000000, 0.0010652000000000 ] - [ 0.0001087300000000, -0.0000742200000000, 0.0001908900000000 ] - [ 0.0020086300000000, 0.0005557900000000, 0.0483485500000000 ] - [ 0.0000234600000000, 0.0001129800000000, 0.0000903500000000 ] - [ -0.0001646400000000, 0.0005485000000000, 0.0002944900000000 ] - [ -0.0001700700000000, 0.0005378900000000, -0.0000941500000000 ] - [ -0.0001196900000000, -0.0005736900000000, 0.0000319300000000 ] - [ -0.0001728900000000, -0.0004878700000000, -0.0001337400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004721800000000, -0.0000769200000000, 0.0001608200000000 ] - [ 0.0001272600000000, 0.0002443800000000, -0.0002913100000000 ] - [ -0.0001586200000000, 0.0001411700000000, 0.0001213500000000 ] - [ 0.0000125500000000, 0.0001172800000000, -0.0001839700000000 ] - [ 0.0001763400000000, 0.0000754500000000, 0.0001826100000000 ] - [ 0.0001122900000000, -0.0001429200000000, -0.0002299700000000 ] - [ 0.0007372500000000, -0.0024724200000000, -0.0007962600000000 ] - [ -0.0002259400000000, 0.0001373300000000, -0.0003585100000000 ] - [ 0.0025986800000000, 0.0003314600000000, -0.0008538100000000 ] - [ -0.0004091800000000, -0.0001191700000000, -0.0004031400000000 ] - [ 0.0000597600000000, 0.0001438300000000, 0.0001038100000000 ] - [ 0.0001836100000000, -0.0000997100000000, -0.0002003200000000 ] - [ -0.0000738100000000, 0.0002945200000000, 0.0005468100000000 ] - [ -0.0002177200000000, 0.0001805600000000, -0.0003326200000000 ] - [ -0.0056390900000000, -0.0011030400000000, -0.0002292300000000 ] - [ 0.0001937700000000, -0.0002043500000000, -0.0005900900000000 ] - [ 0.0003130600000000, -0.0000880600000000, 0.0010292200000000 ] - [ -0.0003110800000000, 0.0000169100000000, -0.0004447600000000 ] - [ 0.0003217500000000, -0.0000165800000000, 0.0007077000000000 ] - [ 0.0002637600000000, 0.0001920700000000, -0.0003664900000000 ] - [ 0.0002125800000000, -0.0001213400000000, 0.0005706700000000 ] - [ 0.0001492600000000, 0.0001522800000000, -0.0003410300000000 ] - [ -0.0014432300000000, 0.0034968200000000, -0.0000931700000000 ] - [ 0.0000384200000000, -0.0004352300000000, -0.0004688800000000 ] - [ 0.0123051400000000, -0.0092468400000000, 0.1536629600000000 ] - [ -0.0002977700000000, 0.0001580700000000, -0.0007505500000000 ] - [ 0.0045811000000000, 0.0021111100000000, -0.0024118100000000 ] - [ -0.0009819200000000, -0.0009904100000000, -0.0007355900000000 ] - [ 0.0003371200000000, 0.0000473700000000, 0.0004953600000000 ] - [ 0.0004573200000000, 0.0002048900000000, 0.0004552100000000 ] - [ -0.0003788700000000, -0.0001059100000000, 0.0004146300000000 ] - [ -0.0002829500000000, -0.0002401700000000, 0.0003657300000000 ] - [ -0.0007249900000000, 0.0006151700000000, -0.0037363100000000 ] - [ 0.0000197700000000, -0.0003801500000000, -0.0006156200000000 ] - [ 0.0013652800000000, -0.0010595400000000, 0.0001418700000000 ] - [ -0.0009179800000000, 0.0007188900000000, -0.0001186600000000 ] - [ -0.0001073400000000, -0.0003582700000000, 0.0004930400000000 ] - [ -0.0000971700000000, -0.0004066700000000, 0.0004475600000000 ] - [ -0.0001588100000000, 0.0002474000000000, -0.0001061900000000 ] - [ -0.0000474900000000, 0.0002698000000000, -0.0002367500000000 ] - [ -0.0005600400000000, -0.0055462900000000, -0.0007147000000000 ] - [ 0.0005700700000000, 0.0014630500000000, -0.0004330400000000 ] - [ -0.0003378900000000, 0.0002943800000000, 0.0005159600000000 ] - [ -0.0002729800000000, 0.0003317500000000, 0.0004593600000000 ] - [ -0.0001021500000000, 0.0004531300000000, -0.0004236700000000 ] - [ -0.0001314900000000, 0.0004120800000000, -0.0005311600000000 ] - [ -0.0000322500000000, 0.0003118400000000, 0.0004043400000000 ] - [ 0.0000311000000000, 0.0003726400000000, 0.0003643900000000 ] - [ -0.0002858200000000, -0.0003057700000000, -0.0004268300000000 ] - [ -0.0003082400000000, -0.0002798100000000, -0.0005265100000000 ] - [ 0.0002290700000000, -0.0000907900000000, -0.0001182800000000 ] - [ 0.0002631100000000, -0.0001040700000000, -0.0002306700000000 ] - [ 0.0000340300000000, -0.0000835800000000, 0.0004087800000000 ] - [ 0.0004951600000000, -0.0003024600000000, 0.0003764400000000 ] - [ 0.0004045800000000, -0.0001319900000000, -0.0004500600000000 ] - [ 0.0004105400000000, -0.0000870200000000, -0.0005321100000000 ] - [ -0.0007627900000000, 0.0009084200000000, -0.0037365000000000 ] - [ 0.0003294900000000, 0.0001779800000000, -0.0006158900000000 ] - [ -0.0003185900000000, -0.0000814500000000, -0.0001515200000000 ] - [ -0.0002284600000000, -0.0001674800000000, -0.0002333800000000 ] - [ 0.0000757100000000, 0.0016460600000000, -0.0475471800000000 ] - [ -0.0001247500000000, -0.0000526400000000, 0.0006716000000000 ] - [ 0.0005763500000000, -0.0007914700000000, 0.0032748000000000 ] - [ 0.0002790000000000, 0.0001591800000000, 0.0005425300000000 ] - [ 0.0001969100000000, -0.0003390700000000, -0.0000383900000000 ] - [ 0.0001444900000000, -0.0003849300000000, -0.0000035800000000 ] - [ -0.0009825400000000, -0.0014595100000000, 0.0003539900000000 ] - [ 0.0002596500000000, 0.0009549000000000, 0.0003563100000000 ] - [ -0.0000595900000000, 0.0000541800000000, -0.0004180600000000 ] - [ -0.0001323600000000, 0.0000879300000000, -0.0003556500000000 ] - [ 0.0007830000000000, 0.0000049500000000, 0.0032907900000000 ] - [ -0.0002924000000000, 0.0001741800000000, 0.0005529300000000 ] - [ 0.0003011400000000, -0.0000672100000000, -0.0003411600000000 ] - [ 0.0002749500000000, -0.0002082800000000, -0.0002207400000000 ] - [ -0.0097449000000000, 0.0077694800000000, -0.0553295700000000 ] - [ -0.0000235400000000, -0.0003104100000000, 0.0006982000000000 ] - [ -0.0003695900000000, -0.0000205800000000, -0.0000194700000000 ] - [ -0.0003872000000000, -0.0000318100000000, 0.0001053100000000 ] - [ 0.0003771200000000, 0.0001253400000000, -0.0000264600000000 ] - [ 0.0002856900000000, 0.0001986900000000, 0.0004604100000000 ] - [ -0.0003848000000000, -0.0003266100000000, -0.0003114800000000 ] - [ -0.0003753800000000, -0.0003833800000000, 0.0003224400000000 ] - [ 0.0001729200000000, 0.0002990800000000, 0.0002882200000000 ] - [ 0.0000945100000000, 0.0003599800000000, 0.0004330000000000 ] - [ 0.0001639600000000, -0.0003553600000000, -0.0001802300000000 ] - [ 0.0000454400000000, -0.0003324400000000, 0.0004618000000000 ] - [ 0.0002884900000000, 0.0002763000000000, -0.0001340800000000 ] - [ 0.0001677500000000, 0.0003318200000000, -0.0000305600000000 ] - [ 0.0004283000000000, -0.0003325400000000, 0.0003929800000000 ] - [ 0.0002715800000000, -0.0002622500000000, 0.0004696600000000 ] - [ 0.0001485600000000, -0.0001418700000000, -0.0003844200000000 ] - [ -0.0000897100000000, -0.0000969400000000, -0.0003242500000000 ] - [ 0.0002025100000000, -0.0000388900000000, -0.0003893300000000 ] - [ 0.0000434500000000, 0.0001522700000000, -0.0003586000000000 ] - [ 0.0004471300000000, -0.0001581800000000, -0.0002562300000000 ] - [ 0.0005203400000000, -0.0001277500000000, 0.0003168400000000 ] - [ 0.0001873400000000, -0.0003299400000000, -0.0000495900000000 ] - [ 0.0002241700000000, -0.0003332200000000, 0.0001033400000000 ] - [ -0.0009673400000000, 0.0007803300000000, -0.0003906100000000 ] - [ 0.0003940900000000, -0.0006943100000000, -0.0000790700000000 ] - [ -0.0002869700000000, -0.0001141700000000, 0.0002972200000000 ] - [ -0.0003575800000000, -0.0001057200000000, 0.0004474400000000 ] - [ -0.0012510600000000, 0.0009266700000000, -0.0004231300000000 ] - [ 0.0006612900000000, 0.0000759100000000, -0.0000000800000000 ] - [ -0.0003173000000000, 0.0001537700000000, 0.0000127800000000 ] - [ -0.0003135900000000, 0.0001413300000000, 0.0004634600000000 ] - [ -0.0006339000000000, 0.0004072400000000, -0.0004089200000000 ] - [ 0.0007166700000000, -0.0004914300000000, -0.0000727600000000 ] - [ 0.0001666700000000, 0.0003376400000000, -0.0000472100000000 ] - [ 0.0001805800000000, 0.0003293000000000, 0.0001201700000000 ] - [ 0.0010083900000000, 0.0015955500000000, -0.0005652200000000 ] - [ -0.0007508000000000, -0.0006648100000000, 0.0001257300000000 ] - [ -0.0000661300000000, 0.0002880100000000, -0.0003684200000000 ] - [ 0.0000377600000000, 0.0003472000000000, -0.0002084400000000 ] - [ 0.0004418800000000, 0.0000788000000000, -0.0001818500000000 ] - [ 0.0005534300000000, 0.0001598200000000, -0.0000117300000000 ] - [ 0.0000921700000000, -0.0004535500000000, -0.0004391800000000 ] - [ -0.0004643600000000, -0.0000177200000000, -0.0001188600000000 ] - [ -0.0013869200000000, 0.0015020000000000, 0.0030840100000000 ] - [ -0.0001124600000000, -0.0002577400000000, 0.0009121200000000 ] - [ -0.0002918000000000, 0.0004281400000000, -0.0001659300000000 ] - [ -0.0004437100000000, 0.0003172000000000, 0.0000551200000000 ] - [ -0.0003562300000000, 0.0000647300000000, -0.0000651500000000 ] - [ -0.0004001700000000, -0.0000266200000000, -0.0000067700000000 ] - [ 0.0005440100000000, -0.0005757800000000, -0.0003070200000000 ] - [ 0.0001033500000000, -0.0000640700000000, 0.0005636100000000 ] - [ -0.0009281600000000, -0.0000656800000000, -0.0475714100000000 ] - [ -0.0000052500000000, 0.0001346400000000, 0.0006633500000000 ] - [ -0.0001454200000000, 0.0004977600000000, -0.0001430900000000 ] - [ -0.0001360300000000, 0.0005056600000000, 0.0002429700000000 ] - [ -0.0001889800000000, -0.0004689100000000, -0.0001771600000000 ] - [ -0.0001361900000000, -0.0005539400000000, -0.0000214000000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001388300000000, 0.0003803900000000, 0.0003394600000000 ] - [ 0.0013670100000000, 0.0038928500000000, -0.0030937300000000 ] - [ 0.0002899400000000, 0.0000451300000000, 0.0003670700000000 ] - [ 0.0024694200000000, -0.0003160800000000, -0.0016329400000000 ] - [ 0.0001025600000000, 0.0002531800000000, -0.0001818800000000 ] - [ 0.0000637700000000, 0.0012619600000000, 0.0007199100000000 ] - [ -0.0001965500000000, -0.0004458600000000, -0.0001871300000000 ] - [ -0.0000002800000000, -0.0029980800000000, 0.0017612100000000 ] - [ 0.0002505700000000, -0.0000712400000000, -0.0005087800000000 ] - [ 0.0032836700000000, 0.0000995800000000, 0.0025285200000000 ] - [ 0.0000401700000000, -0.0001630500000000, 0.0001806400000000 ] - [ -0.0002831400000000, -0.0009796000000000, -0.0005337500000000 ] - [ 0.0057554400000000, -0.0005981400000000, 0.0026044700000000 ] - [ 0.0003775300000000, 0.0000713400000000, -0.0004200000000000 ] - [ 0.0085195700000000, 0.0001810100000000, -0.0046231800000000 ] - [ 0.0002333600000000, -0.0001432200000000, 0.0006427400000000 ] - [ 0.0047613800000000, 0.0108026900000000, 0.0064974000000000 ] - [ -0.0002272200000000, 0.0004693700000000, -0.0005307700000000 ] - [ 0.0000795400000000, 0.0034199200000000, -0.0015511400000000 ] - [ 0.0001464700000000, 0.0003743900000000, 0.0001987100000000 ] - [ -0.0011233900000000, -0.0024323000000000, 0.0010855400000000 ] - [ 0.0000528200000000, -0.0002110900000000, -0.0001804400000000 ] - [ -0.0000470900000000, -0.0072202500000000, -0.0027271000000000 ] - [ -0.0003134800000000, -0.0005712400000000, 0.0002450600000000 ] - [ -0.0063171500000000, -0.0001099900000000, -0.0050597300000000 ] - [ -0.0025481700000000, 0.0000639500000000, 0.0005457000000000 ] - [ -0.4045622200000000, -0.0230495800000000, -0.0014401800000000 ] - [ -0.0005742500000000, -0.0003238300000000, 0.0001728600000000 ] - [ 0.0022552700000000, 0.0010284600000000, 0.0005103600000000 ] - [ 0.0006192200000000, 0.0002037300000000, 0.0004928400000000 ] - [ 0.0040878400000000, 0.0020607100000000, 0.0002721100000000 ] - [ 0.0001404200000000, -0.0000485000000000, 0.0003825400000000 ] - [ -0.0049322200000000, 0.0007311000000000, -0.0006670700000000 ] - [ -0.0019365000000000, 0.0000018700000000, -0.0002652400000000 ] - [ -0.0079061800000000, -0.0543565400000000, 0.0012269800000000 ] - [ -0.0005923200000000, 0.0000765700000000, 0.0001568200000000 ] - [ -0.0002388300000000, 0.0006898400000000, 0.0004710300000000 ] - [ -0.0002331100000000, -0.0002083700000000, 0.0004656800000000 ] - [ 0.0010343100000000, -0.0001187200000000, -0.0001789800000000 ] - [ 0.0007604500000000, 0.0000160700000000, -0.0001502200000000 ] - [ -0.0073562800000000, 0.0546265800000000, -0.0007971600000000 ] - [ -0.0001577600000000, 0.0001700500000000, 0.0001907100000000 ] - [ 0.0001938400000000, -0.0003648100000000, 0.0004373400000000 ] - [ -0.0002991300000000, 0.0001784200000000, 0.0004682900000000 ] - [ 0.0017051700000000, 0.0013178400000000, -0.0005655500000000 ] - [ 0.0009438400000000, 0.0009593700000000, -0.0004681600000000 ] - [ 0.0015623400000000, 0.0010726100000000, 0.0003910200000000 ] - [ 0.0001881100000000, 0.0004423500000000, 0.0003860100000000 ] - [ 0.0010396000000000, -0.0007430600000000, -0.0003918600000000 ] - [ 0.0003957000000000, -0.0006571200000000, -0.0005217200000000 ] - [ 0.0006349100000000, -0.0000386300000000, -0.0001451600000000 ] - [ 0.0006304200000000, 0.0000269900000000, -0.0002025400000000 ] - [ 0.0048547300000000, -0.0012763800000000, 0.0005121200000000 ] - [ 0.0006674400000000, -0.0003278200000000, 0.0003940000000000 ] - [ 0.0008109100000000, 0.0006277000000000, -0.0004729300000000 ] - [ 0.0004713200000000, 0.0004207700000000, -0.0004228700000000 ] - [ -0.0030874500000000, -0.0003193600000000, 0.0041588500000000 ] - [ -0.0012708300000000, 0.0000642900000000, -0.0014038500000000 ] - [ -0.0001259900000000, -0.0010781900000000, -0.0002559600000000 ] - [ 0.0000006400000000, -0.0006305100000000, -0.0001589100000000 ] - [ 0.0024799000000000, -0.0013070800000000, 0.0029334300000000 ] - [ 0.0009740300000000, -0.0004046700000000, -0.0004335100000000 ] - [ 0.0017165400000000, -0.0001797000000000, 0.0004948500000000 ] - [ 0.0008933800000000, 0.0000654900000000, 0.0001554000000000 ] - [ -0.0012254500000000, -0.0003152000000000, -0.0000580800000000 ] - [ 0.0000478100000000, -0.0003065400000000, -0.0000520900000000 ] - [ 0.0564051200000000, 0.0074395000000000, 0.0003766200000000 ] - [ 0.0003287100000000, 0.0003687100000000, -0.0002276100000000 ] - [ -0.0016074300000000, -0.0014994600000000, -0.0003773600000000 ] - [ -0.0002820800000000, -0.0000490300000000, -0.0003688500000000 ] - [ 0.0001582800000000, 0.0003667400000000, -0.0030406000000000 ] - [ 0.0002485700000000, 0.0003351000000000, 0.0015398900000000 ] - [ 0.0006737900000000, -0.0005481600000000, -0.0002704000000000 ] - [ 0.0003578600000000, -0.0002143500000000, -0.0002823000000000 ] - [ 0.0013169900000000, 0.0001621600000000, 0.0039450200000000 ] - [ 0.0007492900000000, -0.0002972700000000, -0.0009175400000000 ] - [ -0.0010254300000000, -0.0007895400000000, 0.0001334700000000 ] - [ -0.0007037700000000, -0.0004686000000000, 0.0000074500000000 ] - [ 0.0003057500000000, 0.0008651800000000, -0.0000024100000000 ] - [ 0.0000867000000000, 0.0005563200000000, 0.0002147800000000 ] - [ 0.0004115500000000, -0.0010352500000000, -0.0002441100000000 ] - [ 0.0001470500000000, -0.0007841300000000, 0.0003300000000000 ] - [ -0.0002661800000000, 0.0005449300000000, 0.0003654800000000 ] - [ -0.0002455200000000, 0.0004395100000000, 0.0003898700000000 ] - [ -0.0018010800000000, -0.0002688800000000, 0.0004361900000000 ] - [ -0.0008957100000000, -0.0002788000000000, 0.0000740000000000 ] - [ -0.0001985000000000, 0.0003327200000000, -0.0000447000000000 ] - [ 0.0002515600000000, 0.0003625800000000, -0.0000196800000000 ] - [ -0.0003310900000000, 0.0002085300000000, 0.0006943600000000 ] - [ -0.0001294700000000, -0.0000410100000000, 0.0001256900000000 ] - [ -0.0041663500000000, -0.0005292500000000, -0.0003620800000000 ] - [ -0.0003485700000000, -0.0001114200000000, -0.0003741300000000 ] - [ -0.0016743600000000, 0.0014448800000000, -0.0003944600000000 ] - [ -0.0000487000000000, 0.0001852200000000, -0.0003885000000000 ] - [ -0.0006106400000000, -0.0013794400000000, 0.0010336100000000 ] - [ -0.0000199800000000, -0.0008056100000000, -0.0005307400000000 ] - [ -0.0011836700000000, -0.0002779400000000, -0.0001283300000000 ] - [ -0.0005263400000000, -0.0002590700000000, 0.0001755100000000 ] - [ 0.0316046200000000, -0.0009436600000000, -0.0003286200000000 ] - [ 0.0004790800000000, -0.0003697200000000, -0.0003749600000000 ] - [ -0.0010518900000000, 0.0000308900000000, 0.0001301300000000 ] - [ -0.0008547300000000, -0.0000041500000000, 0.0006032100000000 ] - [ 0.1610378800000000, -0.0542886300000000, -0.0034712000000000 ] - [ 0.0005574200000000, 0.0002320500000000, -0.0003594800000000 ] - [ -0.0009789700000000, -0.0009299500000000, 0.0000132500000000 ] - [ -0.0006979500000000, -0.0003465400000000, 0.0004765100000000 ] - [ -0.0075644200000000, 0.0167790900000000, -0.0017268400000000 ] - [ 0.0004629800000000, -0.0001656200000000, -0.0002493800000000 ] - [ -0.0001294500000000, 0.0006650800000000, 0.0001288100000000 ] - [ 0.0001037700000000, 0.0005388300000000, -0.0001137500000000 ] - [ -0.0091711300000000, -0.0169378100000000, 0.0011571500000000 ] - [ -0.0001111800000000, -0.0002071000000000, -0.0002136700000000 ] - [ -0.0044968200000000, -0.0019044400000000, -0.0004840800000000 ] - [ -0.0002559000000000, 0.0001699300000000, -0.0003083200000000 ] - [ 0.0009484200000000, -0.0011511000000000, 0.0000023100000000 ] - [ 0.0005914400000000, -0.0001319900000000, -0.0000762700000000 ] - [ -0.0047034000000000, 0.0027237500000000, -0.0000556400000000 ] - [ -0.0004691200000000, 0.0000043100000000, -0.0002631400000000 ] - [ 0.1743946400000000, 0.0655940400000000, 0.0028557600000000 ] - [ -0.0000459100000000, 0.0001671200000000, -0.0003882000000000 ] - [ -0.0026672100000000, -0.0003927900000000, -0.0001183900000000 ] - [ -0.0007147900000000, 0.0002716600000000, -0.0000740800000000 ] - [ -0.0012298800000000, -0.0008442000000000, -0.0000213000000000 ] - [ -0.0004373000000000, -0.0000858000000000, -0.0000340800000000 ] - [ 0.0029186900000000, 0.0011357900000000, -0.0010418300000000 ] - [ 0.0012693200000000, 0.0003282000000000, 0.0008890100000000 ] - [ 0.0051022700000000, -0.0000238100000000, -0.0009864100000000 ] - [ 0.0018130900000000, 0.0001002200000000, 0.0007111200000000 ] - [ -0.0009645200000000, 0.0011945200000000, -0.0005725800000000 ] - [ -0.0005194300000000, 0.0008740300000000, 0.0004503200000000 ] - [ -0.0006140100000000, 0.0005290800000000, -0.0000622000000000 ] - [ -0.0001894900000000, -0.0003680300000000, -0.0000683400000000 ]- atom: 27 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000069500000000, -0.0001474800000000, -0.0003376100000000 ] - [ -0.0014869700000000, -0.0036779300000000, 0.0031106800000000 ] - [ -0.0004405000000000, 0.0002163600000000, -0.0003685300000000 ] - [ -0.0026224200000000, 0.0005801100000000, 0.0016381800000000 ] - [ 0.0001999200000000, -0.0002528600000000, 0.0001813000000000 ] - [ 0.0002408700000000, -0.0012586900000000, -0.0007172400000000 ] - [ 0.0000449000000000, 0.0001862400000000, 0.0001895800000000 ] - [ -0.0001703700000000, 0.0027340200000000, -0.0017596200000000 ] - [ -0.0003867600000000, -0.0001638800000000, 0.0005070400000000 ] - [ -0.0034122700000000, -0.0003298200000000, -0.0025173300000000 ] - [ 0.0002283600000000, 0.0001631400000000, -0.0001812000000000 ] - [ 0.0005488700000000, 0.0009832500000000, 0.0005384400000000 ] - [ -0.0059868900000000, 0.0009920200000000, -0.0026141400000000 ] - [ -0.0005986200000000, 0.0003134700000000, 0.0004216700000000 ] - [ -0.0086878400000000, -0.0005062200000000, 0.0045987400000000 ] - [ -0.0004340600000000, -0.0002014600000000, -0.0006410300000000 ] - [ -0.0049384200000000, -0.0105435800000000, -0.0065542500000000 ] - [ 0.0000324800000000, -0.0001252800000000, 0.0005296400000000 ] - [ 0.0003750700000000, -0.0034115800000000, 0.0015469300000000 ] - [ 0.0002978500000000, -0.0003747800000000, -0.0001983300000000 ] - [ 0.0015083200000000, 0.0024455400000000, -0.0010958700000000 ] - [ 0.0003438900000000, 0.0002115800000000, 0.0001812200000000 ] - [ -0.0002393600000000, 0.0068198900000000, 0.0027274100000000 ] - [ 0.0000894300000000, 0.0001873300000000, -0.0002482100000000 ] - [ 0.0056452000000000, 0.0004330200000000, 0.0043033700000000 ] - [ 0.0019170900000000, 0.0002650000000000, -0.0013277600000000 ] - [ 0.4044565600000000, 0.0052832400000000, 0.0012968900000000 ] - [ 0.0005024900000000, -0.0002196100000000, 0.0001756900000000 ] - [ -0.0014282500000000, -0.0008291400000000, 0.0004396200000000 ] - [ 0.0002061900000000, -0.0000198000000000, 0.0004568800000000 ] - [ -0.0047279900000000, -0.0024242900000000, 0.0005053000000000 ] - [ -0.0007742400000000, -0.0002971200000000, 0.0003945100000000 ] - [ 0.0049483700000000, -0.0014629000000000, -0.0001129000000000 ] - [ 0.0019551800000000, -0.0007277200000000, -0.0005112600000000 ] - [ 0.0071534700000000, 0.0548207500000000, -0.0008780300000000 ] - [ 0.0001634400000000, 0.0002606100000000, 0.0001915500000000 ] - [ 0.0000159900000000, -0.0014711900000000, 0.0004784600000000 ] - [ -0.0000028500000000, -0.0005912400000000, 0.0004841800000000 ] - [ -0.0011171500000000, 0.0006568300000000, -0.0001713100000000 ] - [ -0.0008441900000000, 0.0005241000000000, -0.0001976500000000 ] - [ 0.0081899900000000, -0.0542685900000000, 0.0011456600000000 ] - [ 0.0006690200000000, 0.0000274000000000, 0.0001576500000000 ] - [ -0.0007660300000000, 0.0009885100000000, 0.0005131600000000 ] - [ -0.0002607700000000, 0.0004311000000000, 0.0004816800000000 ] - [ -0.0019555500000000, -0.0005025400000000, -0.0003849100000000 ] - [ -0.0011955700000000, -0.0001490300000000, -0.0004827200000000 ] - [ -0.0015442500000000, -0.0003523800000000, 0.0003851500000000 ] - [ -0.0001720400000000, 0.0002792600000000, 0.0003906700000000 ] - [ -0.0016180400000000, 0.0001459500000000, -0.0005587400000000 ] - [ -0.0009731800000000, 0.0000562800000000, -0.0004295700000000 ] - [ -0.0001280000000000, -0.0001643100000000, -0.0002039900000000 ] - [ -0.0001220600000000, -0.0002307900000000, -0.0001460000000000 ] - [ -0.0042400300000000, 0.0008971300000000, 0.0002650100000000 ] - [ -0.0000688700000000, -0.0000433400000000, 0.0003826700000000 ] - [ -0.0000047400000000, -0.0007918000000000, -0.0004751500000000 ] - [ 0.0003369600000000, -0.0005957600000000, -0.0005278800000000 ] - [ 0.0037492200000000, 0.0006775100000000, -0.0049305800000000 ] - [ 0.0018990300000000, 0.0003050600000000, 0.0006238400000000 ] - [ -0.0003149900000000, 0.0007363800000000, -0.0000944400000000 ] - [ -0.0004384400000000, 0.0002938100000000, -0.0001892900000000 ] - [ -0.0027003700000000, 0.0011984600000000, -0.0021755300000000 ] - [ -0.0011997700000000, 0.0002903600000000, 0.0011898900000000 ] - [ -0.0011490900000000, 0.0004994300000000, 0.0000856900000000 ] - [ -0.0003264300000000, 0.0002536100000000, 0.0004181700000000 ] - [ 0.0015712100000000, -0.0003904700000000, -0.0000125800000000 ] - [ 0.0003002900000000, -0.0003884700000000, -0.0000184100000000 ] - [ -0.0561968900000000, -0.0043030600000000, -0.0007591200000000 ] - [ -0.0002472000000000, 0.0003320900000000, -0.0002356600000000 ] - [ 0.0013768500000000, 0.0016234700000000, -0.0003786600000000 ] - [ 0.0000556600000000, 0.0001650000000000, -0.0003878800000000 ] - [ -0.0007492000000000, -0.0000338600000000, 0.0036287200000000 ] - [ -0.0008298100000000, -0.0000020600000000, -0.0009660100000000 ] - [ -0.0001020300000000, 0.0002151400000000, -0.0003015400000000 ] - [ 0.0002170100000000, -0.0001190700000000, -0.0002906800000000 ] - [ -0.0013225800000000, -0.0008112900000000, -0.0033604200000000 ] - [ -0.0007696800000000, -0.0003555700000000, 0.0014920700000000 ] - [ 0.0002480700000000, 0.0007355900000000, -0.0000631200000000 ] - [ -0.0000708800000000, 0.0004194000000000, 0.0000632100000000 ] - [ 0.0002724600000000, -0.0004470300000000, 0.0004598300000000 ] - [ 0.0004840800000000, -0.0001372300000000, 0.0002500300000000 ] - [ -0.0011629500000000, 0.0002299700000000, 0.0003836300000000 ] - [ -0.0008965200000000, -0.0000120600000000, -0.0001767100000000 ] - [ 0.0004580200000000, 0.0001819200000000, 0.0003842900000000 ] - [ 0.0004378000000000, 0.0002877800000000, 0.0003581200000000 ] - [ 0.0018811600000000, -0.0004151000000000, 0.0000314500000000 ] - [ 0.0009765400000000, -0.0004057100000000, 0.0003853300000000 ] - [ 0.0006141300000000, 0.0003017700000000, -0.0000258800000000 ] - [ 0.0001620000000000, 0.0002952800000000, -0.0000505100000000 ] - [ 0.0008667600000000, -0.0007340100000000, 0.0000592900000000 ] - [ 0.0006655800000000, -0.0004859900000000, 0.0006249600000000 ] - [ 0.0041758200000000, 0.0002772300000000, -0.0003942600000000 ] - [ 0.0003604700000000, -0.0001435800000000, -0.0003824600000000 ] - [ 0.0018773300000000, -0.0012950700000000, -0.0003619100000000 ] - [ 0.0002584800000000, -0.0000453400000000, -0.0003678500000000 ] - [ 0.0016710600000000, 0.0011233800000000, -0.0008792300000000 ] - [ 0.0010829200000000, 0.0005538700000000, 0.0006787500000000 ] - [ 0.0016180700000000, -0.0003817000000000, 0.0001989000000000 ] - [ 0.0009591500000000, -0.0003996700000000, -0.0001064300000000 ] - [ -0.0314194000000000, -0.0000293800000000, -0.0004077000000000 ] - [ -0.0003071000000000, -0.0003575300000000, -0.0003741700000000 ] - [ 0.0003308400000000, -0.0002423900000000, 0.0006202400000000 ] - [ 0.0001367400000000, -0.0002081100000000, 0.0001468300000000 ] - [ -0.1700250200000000, 0.0620214400000000, 0.0029555600000000 ] - [ -0.0000238000000000, 0.0002973200000000, -0.0003899700000000 ] - [ 0.0003434700000000, 0.0012220100000000, 0.0004520000000000 ] - [ 0.0000611200000000, 0.0006381000000000, -0.0000128900000000 ] - [ 0.0081344700000000, -0.0170921900000000, 0.0012546900000000 ] - [ 0.0001048800000000, -0.0002389300000000, -0.0002149700000000 ] - [ 0.0004979000000000, 0.0000171500000000, -0.0000606900000000 ] - [ 0.0002595700000000, 0.0001460200000000, 0.0001849900000000 ] - [ 0.0085405800000000, 0.0167610600000000, -0.0016283500000000 ] - [ -0.0005232900000000, -0.0000676400000000, -0.0002511100000000 ] - [ 0.0045088000000000, 0.0025682900000000, -0.0000860200000000 ] - [ 0.0002464200000000, 0.0004798400000000, -0.0002654200000000 ] - [ 0.0000978700000000, 0.0013955100000000, -0.0001553700000000 ] - [ 0.0004682000000000, 0.0003848300000000, -0.0000754200000000 ] - [ 0.0041249800000000, -0.0030483200000000, -0.0005127200000000 ] - [ -0.0000836000000000, -0.0003539400000000, -0.0003092100000000 ] - [ -0.1656658500000000, -0.0579789000000000, -0.0033731400000000 ] - [ -0.0006799800000000, 0.0000304400000000, -0.0003632300000000 ] - [ 0.0019159400000000, 0.0011773600000000, -0.0000332700000000 ] - [ -0.0000325000000000, 0.0005262900000000, -0.0000767300000000 ] - [ 0.0004418700000000, 0.0008797500000000, -0.0000485900000000 ] - [ -0.0003486500000000, 0.0001319400000000, -0.0000363500000000 ] - [ -0.0027049200000000, -0.0012635700000000, 0.0017980000000000 ] - [ -0.0010570800000000, -0.0004624700000000, -0.0001323600000000 ] - [ -0.0050941300000000, 0.0002942700000000, 0.0017050200000000 ] - [ -0.0017987300000000, 0.0001549200000000, 0.0000544600000000 ] - [ 0.0006584700000000, -0.0001537500000000, 0.0007249000000000 ] - [ 0.0002111000000000, 0.0001686800000000, -0.0003017000000000 ] - [ 0.0003122900000000, -0.0015785800000000, -0.0000887600000000 ] - [ -0.0001223100000000, -0.0006766800000000, -0.0000832900000000 ]- atom: 27 displacement: [ -0.0050000000040513, 0.0086602540355054, 0.0000000000000000 ] forces: - [ 0.0001701100000000, -0.0003793300000000, 0.0004072000000000 ] - [ 0.0032545000000000, -0.0023265400000000, -0.0016050100000000 ] - [ -0.0003710500000000, 0.0001412300000000, -0.0004336400000000 ] - [ -0.0027010000000000, 0.0002088200000000, 0.0019909100000000 ] - [ 0.0004300100000000, 0.0002718500000000, -0.0000459500000000 ] - [ 0.0010721700000000, 0.0009387200000000, 0.0003433900000000 ] - [ -0.0002339400000000, -0.0002029600000000, 0.0007931800000000 ] - [ -0.0039251700000000, 0.0027372700000000, -0.0047739900000000 ] - [ -0.0001377500000000, -0.0003217600000000, -0.0000245800000000 ] - [ 0.0000113000000000, -0.0009378500000000, 0.0003960700000000 ] - [ -0.0000473000000000, 0.0005107600000000, -0.0002763400000000 ] - [ -0.0005147800000000, 0.0022589300000000, 0.0012469500000000 ] - [ -0.0065407900000000, 0.0004049400000000, -0.0033250600000000 ] - [ -0.0004348400000000, 0.0001983700000000, 0.0005256100000000 ] - [ 0.0005267600000000, -0.0021472100000000, -0.0010325800000000 ] - [ -0.0002203800000000, -0.0005016700000000, 0.0000695500000000 ] - [ 0.0104681600000000, -0.0062528100000000, 0.0034708500000000 ] - [ 0.0001837000000000, -0.0004799200000000, -0.0004756600000000 ] - [ 0.0025186900000000, 0.0024403000000000, -0.0005335200000000 ] - [ 0.0005847800000000, 0.0003851400000000, 0.0000987500000000 ] - [ -0.0011780500000000, 0.0057032100000000, -0.0024757700000000 ] - [ -0.0000344500000000, 0.0006947600000000, 0.0003440400000000 ] - [ -0.0122542400000000, 0.0096462400000000, 0.0096929600000000 ] - [ -0.0002272700000000, -0.0002658900000000, -0.0010374400000000 ] - [ 0.0028806400000000, -0.0049113200000000, -0.0001209500000000 ] - [ 0.0010488700000000, -0.0018462300000000, -0.0002435100000000 ] - [ 0.1975542500000000, -0.5154450300000000, -0.0132817700000000 ] - [ 0.0001884300000000, -0.0009889000000000, 0.0001654800000000 ] - [ -0.0003487100000000, 0.0022286300000000, 0.0004976100000000 ] - [ 0.0003292000000000, 0.0003661600000000, 0.0004900100000000 ] - [ -0.0022555900000000, -0.0021960300000000, 0.0004661400000000 ] - [ -0.0004806700000000, -0.0003448900000000, 0.0003938500000000 ] - [ 0.0027297500000000, 0.0005396900000000, -0.0019847700000000 ] - [ 0.0011207800000000, -0.0000734100000000, 0.0003083300000000 ] - [ -0.0211770200000000, 0.0623342500000000, -0.0010620700000000 ] - [ -0.0001274500000000, -0.0000483600000000, 0.0002003700000000 ] - [ 0.0010500900000000, 0.0037874000000000, 0.0004275200000000 ] - [ 0.0000878800000000, -0.0001486900000000, 0.0004748200000000 ] - [ -0.0002417500000000, -0.0014944900000000, -0.0002611000000000 ] - [ -0.0002221500000000, -0.0008091600000000, -0.0001583600000000 ] - [ 0.0285641700000000, 0.0076042300000000, -0.0000452500000000 ] - [ 0.0005478200000000, -0.0001687100000000, 0.0001861000000000 ] - [ -0.0024396900000000, 0.0044638000000000, 0.0005316800000000 ] - [ -0.0004011300000000, 0.0007344600000000, 0.0004861100000000 ] - [ -0.0003268300000000, 0.0020572800000000, -0.0004268300000000 ] - [ -0.0002989000000000, 0.0012401800000000, -0.0005086800000000 ] - [ -0.0009202300000000, 0.0022834800000000, 0.0004093900000000 ] - [ -0.0001060300000000, 0.0006281800000000, 0.0003815400000000 ] - [ -0.0021706800000000, 0.0024748800000000, -0.0005365500000000 ] - [ -0.0012096600000000, 0.0013109400000000, -0.0005156000000000 ] - [ 0.0012519800000000, -0.0005173400000000, -0.0000984700000000 ] - [ 0.0006875200000000, -0.0002618100000000, -0.0002451700000000 ] - [ -0.0034508600000000, 0.0006771000000000, 0.0002880300000000 ] - [ -0.0000650200000000, -0.0001521700000000, 0.0003771300000000 ] - [ 0.0003523300000000, 0.0035296900000000, -0.0001593800000000 ] - [ 0.0006388700000000, 0.0013910200000000, -0.0007015200000000 ] - [ 0.0019138600000000, -0.0027614200000000, -0.0057516600000000 ] - [ 0.0007825900000000, -0.0012693900000000, 0.0009348900000000 ] - [ -0.0015469400000000, -0.0008255700000000, -0.0002169800000000 ] - [ -0.0011042100000000, -0.0004253300000000, -0.0001602300000000 ] - [ -0.0014048400000000, 0.0021824800000000, 0.0013841500000000 ] - [ -0.0006485100000000, 0.0009708500000000, -0.0001362200000000 ] - [ -0.0007689200000000, -0.0008935400000000, 0.0011412700000000 ] - [ -0.0001404100000000, -0.0002178700000000, -0.0002448200000000 ] - [ 0.0008173800000000, -0.0031079100000000, -0.0000431900000000 ] - [ 0.0001922500000000, -0.0006456000000000, -0.0000363100000000 ] - [ -0.0245588500000000, 0.3053168300000000, 0.0070510400000000 ] - [ -0.0001122500000000, 0.0008534500000000, -0.0002497400000000 ] - [ -0.0001880500000000, 0.0005454300000000, -0.0003197700000000 ] - [ -0.0001108300000000, 0.0000818500000000, -0.0003810100000000 ] - [ 0.0000647000000000, 0.0023581400000000, 0.0031415000000000 ] - [ -0.0003393800000000, 0.0011143400000000, -0.0005801700000000 ] - [ 0.0000070600000000, -0.0021730800000000, -0.0002696300000000 ] - [ 0.0002636600000000, -0.0003841800000000, -0.0002858300000000 ] - [ -0.0006446800000000, 0.0032176700000000, -0.0018438900000000 ] - [ -0.0005296800000000, 0.0012256300000000, 0.0011668400000000 ] - [ -0.0010483200000000, -0.0021822200000000, 0.0000052900000000 ] - [ -0.0006961900000000, -0.0009946600000000, 0.0000683400000000 ] - [ 0.0030731800000000, -0.0010384200000000, -0.0009679000000000 ] - [ 0.0014799000000000, -0.0003837400000000, 0.0009451700000000 ] - [ -0.0010008900000000, -0.0029335200000000, -0.0025572100000000 ] - [ -0.0007192300000000, -0.0011688100000000, 0.0011896000000000 ] - [ 0.0003941600000000, 0.0001198000000000, 0.0006298400000000 ] - [ 0.0003135800000000, 0.0002112000000000, 0.0001827600000000 ] - [ 0.0005999600000000, 0.0009739600000000, 0.0009373800000000 ] - [ 0.0003659200000000, 0.0003768200000000, -0.0002158700000000 ] - [ 0.0009673100000000, -0.0033327900000000, -0.0000548800000000 ] - [ 0.0001988300000000, 0.0000792300000000, -0.0000470600000000 ] - [ 0.0008380100000000, 0.0005954800000000, 0.0002619600000000 ] - [ 0.0006645900000000, 0.0002240300000000, 0.0005127400000000 ] - [ 0.0027705600000000, 0.0006147900000000, -0.0003864200000000 ] - [ 0.0002148800000000, -0.0000460800000000, -0.0003807300000000 ] - [ 0.0015696600000000, -0.0013350300000000, -0.0003838100000000 ] - [ 0.0002670700000000, -0.0000697500000000, -0.0003562800000000 ] - [ 0.0001313500000000, -0.0007811200000000, 0.0002574000000000 ] - [ 0.0003857300000000, -0.0004002700000000, -0.0000255400000000 ] - [ 0.0008917000000000, -0.0013987000000000, 0.0002795300000000 ] - [ 0.0005465100000000, -0.0009388900000000, -0.0001369200000000 ] - [ -0.0149762800000000, -0.0108532100000000, 0.0001226000000000 ] - [ -0.0000894100000000, -0.0002390600000000, -0.0003914700000000 ] - [ -0.0009646100000000, 0.0007225300000000, 0.0001693200000000 ] - [ -0.0005941500000000, 0.0002947100000000, 0.0005112500000000 ] - [ -0.1336308300000000, 0.1099020300000000, 0.0032826700000000 ] - [ 0.0000436200000000, 0.0006572100000000, -0.0003817200000000 ] - [ -0.0013568100000000, -0.0008847800000000, -0.0003675400000000 ] - [ -0.0007365000000000, -0.0002182500000000, 0.0005948700000000 ] - [ 0.0130339800000000, -0.0159541500000000, 0.0015317700000000 ] - [ 0.0002184300000000, -0.0002207300000000, -0.0002184400000000 ] - [ 0.0011062900000000, -0.0024767600000000, -0.0006255000000000 ] - [ 0.0004791000000000, -0.0010135300000000, 0.0005212500000000 ] - [ -0.0048440300000000, 0.0010743100000000, 0.0001196200000000 ] - [ -0.0004604100000000, -0.0001234000000000, -0.0002437300000000 ] - [ 0.0027211000000000, 0.0039710100000000, 0.0002258600000000 ] - [ 0.0000046600000000, 0.0006385100000000, -0.0002797800000000 ] - [ -0.0013757000000000, -0.0029933200000000, -0.0002197500000000 ] - [ 0.0003967600000000, 0.0000183400000000, -0.0000711500000000 ] - [ 0.0039161100000000, 0.0008123800000000, -0.0001187000000000 ] - [ 0.0000540400000000, -0.0000368100000000, -0.0003215100000000 ] - [ -0.0378256500000000, 0.0480119300000000, 0.0000908000000000 ] - [ -0.0004033700000000, 0.0004076600000000, -0.0003628700000000 ] - [ 0.0001639000000000, -0.0007972500000000, -0.0001849500000000 ] - [ -0.0002248100000000, 0.0002752600000000, -0.0000758300000000 ] - [ -0.0002204500000000, -0.0029273400000000, -0.0000068800000000 ] - [ -0.0003895700000000, -0.0002183300000000, -0.0000481300000000 ] - [ -0.0010435500000000, 0.0003978500000000, 0.0029514500000000 ] - [ -0.0003482500000000, 0.0002951800000000, -0.0007195000000000 ] - [ -0.0030084100000000, 0.0035411600000000, 0.0005037600000000 ] - [ -0.0009562500000000, 0.0011711000000000, 0.0002654200000000 ] - [ 0.0015000300000000, -0.0009071800000000, 0.0009652200000000 ] - [ 0.0005929000000000, -0.0001982500000000, -0.0004078100000000 ] - [ 0.0018407500000000, -0.0036102400000000, 0.0001376600000000 ] - [ 0.0000357500000000, -0.0008421300000000, -0.0000799600000000 ]- atom: 27 displacement: [ 0.0050000000040513, -0.0086602540355054, 0.0000000000000000 ] forces: - [ -0.0003047400000000, 0.0006137400000000, -0.0004063700000000 ] - [ -0.0033871900000000, 0.0025699500000000, 0.0016094200000000 ] - [ 0.0002200700000000, 0.0001195300000000, 0.0004336500000000 ] - [ 0.0025523000000000, 0.0000518700000000, -0.0019921800000000 ] - [ -0.0001277800000000, -0.0002735500000000, 0.0000464300000000 ] - [ -0.0007698000000000, -0.0009437500000000, -0.0003455700000000 ] - [ 0.0000833900000000, -0.0000547400000000, -0.0007962700000000 ] - [ 0.0037962100000000, -0.0030134800000000, 0.0048183500000000 ] - [ 0.0000011300000000, 0.0000877700000000, 0.0000256700000000 ] - [ -0.0001599200000000, 0.0007091200000000, -0.0004030400000000 ] - [ 0.0003169400000000, -0.0005125500000000, 0.0002754500000000 ] - [ 0.0007857600000000, -0.0022623900000000, -0.0012456000000000 ] - [ 0.0063212400000000, -0.0000217500000000, 0.0033265500000000 ] - [ 0.0002128900000000, 0.0001851900000000, -0.0005256000000000 ] - [ -0.0007560700000000, 0.0018217600000000, 0.0010440000000000 ] - [ 0.0000200600000000, 0.0001587700000000, -0.0000714100000000 ] - [ -0.0106518200000000, 0.0066207000000000, -0.0034753500000000 ] - [ -0.0003821200000000, 0.0008265600000000, 0.0004755500000000 ] - [ -0.0020736400000000, -0.0024560700000000, 0.0005391400000000 ] - [ -0.0001410900000000, -0.0003877600000000, -0.0001001400000000 ] - [ 0.0015780200000000, -0.0057077600000000, 0.0024734300000000 ] - [ 0.0004337700000000, -0.0006974000000000, -0.0003430300000000 ] - [ 0.0121004300000000, -0.0101127000000000, -0.0097881800000000 ] - [ 0.0000040600000000, -0.0001154900000000, 0.0010429500000000 ] - [ -0.0035249300000000, 0.0052604900000000, -0.0006167900000000 ] - [ -0.0016768500000000, 0.0021865200000000, -0.0005426200000000 ] - [ -0.1824003300000000, 0.5267780300000000, 0.0142253000000000 ] - [ -0.0002592900000000, 0.0004494300000000, 0.0001832500000000 ] - [ 0.0011669400000000, -0.0020514800000000, 0.0004520800000000 ] - [ 0.0004949300000000, -0.0001837700000000, 0.0004595300000000 ] - [ 0.0016219200000000, 0.0018447700000000, 0.0003105800000000 ] - [ -0.0001531200000000, -0.0000005400000000, 0.0003832900000000 ] - [ -0.0026954000000000, -0.0012768200000000, 0.0012085100000000 ] - [ -0.0010973900000000, -0.0006541500000000, -0.0010866200000000 ] - [ 0.0201225900000000, -0.0614338900000000, 0.0014248400000000 ] - [ -0.0003010100000000, 0.0003865800000000, 0.0001480800000000 ] - [ -0.0013005400000000, -0.0045959300000000, 0.0005216000000000 ] - [ -0.0003245000000000, -0.0006541700000000, 0.0004752000000000 ] - [ 0.0001623800000000, 0.0020447700000000, -0.0000882500000000 ] - [ 0.0001402600000000, 0.0013571500000000, -0.0001900500000000 ] - [ -0.0277962200000000, -0.0075446200000000, 0.0003930200000000 ] - [ -0.0000347700000000, 0.0003674200000000, 0.0001622600000000 ] - [ 0.0018722100000000, -0.0038733800000000, 0.0004186800000000 ] - [ -0.0001612900000000, -0.0001282700000000, 0.0004640700000000 ] - [ 0.0000686100000000, -0.0012563600000000, -0.0005237900000000 ] - [ 0.0000430700000000, -0.0004367300000000, -0.0004418900000000 ] - [ 0.0009438500000000, -0.0015667900000000, 0.0003671700000000 ] - [ 0.0001234600000000, 0.0000928800000000, 0.0003952500000000 ] - [ 0.0015939600000000, -0.0030891100000000, -0.0004144000000000 ] - [ 0.0006315500000000, -0.0019212600000000, -0.0004351700000000 ] - [ -0.0007413300000000, 0.0003185800000000, -0.0002504900000000 ] - [ -0.0001764200000000, 0.0000598800000000, -0.0001034200000000 ] - [ 0.0040716600000000, -0.0010526100000000, 0.0004891500000000 ] - [ 0.0006649500000000, -0.0002179500000000, 0.0003997300000000 ] - [ 0.0004486100000000, -0.0037205700000000, -0.0007911300000000 ] - [ 0.0001640700000000, -0.0015787700000000, -0.0002477000000000 ] - [ -0.0012729700000000, 0.0031215300000000, 0.0049845600000000 ] - [ -0.0001584300000000, 0.0016416300000000, -0.0017164700000000 ] - [ 0.0011257600000000, 0.0004998000000000, -0.0001320500000000 ] - [ 0.0006777300000000, 0.0000961300000000, -0.0001885300000000 ] - [ 0.0011749200000000, -0.0022978500000000, -0.0006427600000000 ] - [ 0.0004207500000000, -0.0010895400000000, 0.0008979100000000 ] - [ 0.0013331000000000, 0.0012212800000000, -0.0005653500000000 ] - [ 0.0007055400000000, 0.0005404200000000, 0.0008208700000000 ] - [ -0.0004644200000000, 0.0024271600000000, -0.0000268100000000 ] - [ 0.0001564700000000, -0.0000473700000000, -0.0000337700000000 ] - [ 0.0223301200000000, -0.3228665300000000, -0.0083230800000000 ] - [ 0.0001947000000000, -0.0001565200000000, -0.0002138200000000 ] - [ -0.0000426700000000, -0.0004283100000000, -0.0004354200000000 ] - [ -0.0001161500000000, 0.0000344800000000, -0.0003748300000000 ] - [ -0.0006516000000000, -0.0020275700000000, -0.0025629700000000 ] - [ -0.0002418900000000, -0.0007834100000000, 0.0011563300000000 ] - [ 0.0005625500000000, 0.0018431500000000, -0.0003027600000000 ] - [ 0.0003103000000000, 0.0000499900000000, -0.0002872400000000 ] - [ 0.0006319800000000, -0.0038987800000000, 0.0024173000000000 ] - [ 0.0005093400000000, -0.0018918100000000, -0.0005934200000000 ] - [ 0.0002803300000000, 0.0021462200000000, 0.0000644200000000 ] - [ -0.0000733600000000, 0.0009535500000000, 0.0000019100000000 ] - [ -0.0025267900000000, 0.0014593400000000, 0.0014407600000000 ] - [ -0.0009230400000000, 0.0008027000000000, -0.0004888500000000 ] - [ 0.0002600000000000, 0.0021517400000000, 0.0027147700000000 ] - [ -0.0000257500000000, 0.0003840400000000, -0.0010435200000000 ] - [ -0.0002128800000000, 0.0006039600000000, 0.0001179500000000 ] - [ -0.0001272800000000, 0.0005143500000000, 0.0005653700000000 ] - [ -0.0005146100000000, -0.0016651400000000, -0.0004764400000000 ] - [ -0.0002828400000000, -0.0010644700000000, 0.0006802300000000 ] - [ -0.0005427900000000, 0.0040000500000000, -0.0000133300000000 ] - [ 0.0002158400000000, 0.0005795700000000, -0.0000227200000000 ] - [ -0.0003084900000000, -0.0011333300000000, 0.0004900300000000 ] - [ -0.0001326100000000, -0.0007585200000000, 0.0002377200000000 ] - [ -0.0027707600000000, -0.0008720900000000, -0.0003693700000000 ] - [ -0.0002039100000000, -0.0002105900000000, -0.0003751000000000 ] - [ -0.0013710700000000, 0.0014807300000000, -0.0003718400000000 ] - [ -0.0000588800000000, 0.0002097200000000, -0.0003995200000000 ] - [ 0.0009324800000000, 0.0005331800000000, -0.0001094100000000 ] - [ 0.0006770900000000, 0.0001513100000000, 0.0001783400000000 ] - [ -0.0004535700000000, 0.0007481500000000, -0.0002102900000000 ] - [ -0.0001111400000000, 0.0002858700000000, 0.0002063500000000 ] - [ 0.0150436900000000, 0.0101210400000000, -0.0008662500000000 ] - [ 0.0002606100000000, -0.0004874800000000, -0.0003567800000000 ] - [ 0.0002452500000000, -0.0009382300000000, 0.0005794000000000 ] - [ -0.0001224800000000, -0.0005095900000000, 0.0002378400000000 ] - [ 0.1229556400000000, -0.1029053800000000, -0.0037752700000000 ] - [ 0.0004891800000000, -0.0001299500000000, -0.0003669400000000 ] - [ 0.0007215700000000, 0.0011796500000000, 0.0008314500000000 ] - [ 0.0001003200000000, 0.0005109600000000, -0.0001298800000000 ] - [ -0.0124807400000000, 0.0156799300000000, -0.0020095300000000 ] - [ 0.0003492300000000, -0.0001829000000000, -0.0002457000000000 ] - [ -0.0007394300000000, 0.0031764800000000, 0.0006994500000000 ] - [ -0.0001151300000000, 0.0017060000000000, -0.0004547900000000 ] - [ 0.0042564100000000, -0.0012259400000000, -0.0005932200000000 ] - [ -0.0001731800000000, -0.0001509000000000, -0.0002209700000000 ] - [ -0.0027249700000000, -0.0033188600000000, -0.0007990500000000 ] - [ -0.0000118000000000, 0.0000110000000000, -0.0002938800000000 ] - [ 0.0024345600000000, 0.0032514300000000, 0.0000688100000000 ] - [ 0.0006599200000000, 0.0002386500000000, -0.0000808600000000 ] - [ -0.0045038100000000, -0.0011697300000000, -0.0004537400000000 ] - [ -0.0006102700000000, -0.0003147500000000, -0.0002508100000000 ] - [ 0.0357878500000000, -0.0485068200000000, -0.0008545100000000 ] - [ -0.0003228200000000, -0.0002123500000000, -0.0003879100000000 ] - [ -0.0009064200000000, 0.0015919900000000, 0.0000339600000000 ] - [ -0.0005224200000000, 0.0005201900000000, -0.0000751000000000 ] - [ -0.0005592800000000, 0.0029851100000000, -0.0000625000000000 ] - [ -0.0003949100000000, 0.0002655600000000, -0.0000216300000000 ] - [ 0.0012502700000000, -0.0005304900000000, -0.0021930900000000 ] - [ 0.0005581800000000, -0.0004305900000000, 0.0014756300000000 ] - [ 0.0030190900000000, -0.0032884800000000, 0.0002259900000000 ] - [ 0.0009714600000000, -0.0009208700000000, 0.0004974700000000 ] - [ -0.0018051200000000, 0.0019530900000000, -0.0008140700000000 ] - [ -0.0008979600000000, 0.0012431800000000, 0.0005572900000000 ] - [ -0.0021446200000000, 0.0025849800000000, -0.0002909600000000 ] - [ -0.0003426800000000, -0.0001990600000000, -0.0000720700000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001398700000000, 0.0003802100000000, 0.0003940400000000 ] - [ -0.0022098900000000, -0.0018190900000000, 0.0009912700000000 ] - [ 0.0000676200000000, 0.0000667600000000, 0.0002282500000000 ] - [ -0.0001659400000000, 0.0001776600000000, -0.0001823400000000 ] - [ 0.0000996600000000, -0.0000639100000000, 0.0001879100000000 ] - [ 0.0002149600000000, 0.0000745400000000, -0.0001137000000000 ] - [ -0.0001862400000000, 0.0001519400000000, 0.0003594100000000 ] - [ 0.0010420700000000, -0.0019493300000000, 0.0005613100000000 ] - [ -0.0002811400000000, -0.0001895200000000, 0.0002701200000000 ] - [ 0.0002804300000000, 0.0000543100000000, -0.0001701400000000 ] - [ 0.0001786000000000, -0.0001026100000000, 0.0001931300000000 ] - [ 0.0000716000000000, 0.0001438200000000, -0.0000902500000000 ] - [ -0.0001784100000000, 0.0001287900000000, -0.0007017500000000 ] - [ -0.0002843700000000, 0.0002742700000000, 0.0003634300000000 ] - [ -0.0001561800000000, -0.0006648700000000, -0.0010236600000000 ] - [ 0.0001431500000000, -0.0000935900000000, 0.0004306700000000 ] - [ 0.0042510500000000, 0.0037325700000000, 0.0003890000000000 ] - [ -0.0002532500000000, -0.0000566900000000, 0.0005698700000000 ] - [ 0.0001533500000000, 0.0000632100000000, -0.0005284400000000 ] - [ 0.0003071000000000, 0.0000609100000000, 0.0003315300000000 ] - [ 0.0003146700000000, -0.0000846800000000, -0.0005870000000000 ] - [ 0.0001114200000000, 0.0001246800000000, 0.0003390300000000 ] - [ -0.0018888700000000, 0.0031963300000000, -0.0000334800000000 ] - [ -0.0000240100000000, -0.0004492600000000, 0.0004858300000000 ] - [ -0.0051435300000000, -0.0016609600000000, 0.0021977900000000 ] - [ 0.0008397000000000, 0.0003910300000000, 0.0005219900000000 ] - [ -0.0013874000000000, -0.0174643200000000, -0.1540665700000000 ] - [ -0.0000369500000000, -0.0002827000000000, 0.0005281200000000 ] - [ 0.0004269700000000, 0.0001353600000000, 0.0004246500000000 ] - [ 0.0004152300000000, 0.0000846300000000, 0.0005249700000000 ] - [ -0.0003472100000000, -0.0002031200000000, 0.0003201000000000 ] - [ -0.0003177200000000, -0.0001707500000000, 0.0004509900000000 ] - [ -0.0001169600000000, -0.0023403300000000, -0.0003558400000000 ] - [ 0.0000685200000000, 0.0005200000000000, -0.0000951900000000 ] - [ -0.0004299500000000, 0.0013765200000000, 0.0035489600000000 ] - [ -0.0002050300000000, 0.0001468400000000, 0.0003967600000000 ] - [ -0.0000607900000000, -0.0002457400000000, 0.0004789400000000 ] - [ -0.0001092000000000, -0.0003942900000000, 0.0005324200000000 ] - [ -0.0000376400000000, 0.0001721300000000, -0.0002056100000000 ] - [ -0.0000658500000000, 0.0003055600000000, -0.0001440600000000 ] - [ 0.0004419900000000, 0.0013884900000000, 0.0035491300000000 ] - [ 0.0002495700000000, 0.0000773500000000, 0.0003968200000000 ] - [ -0.0004259500000000, 0.0004038600000000, 0.0004090700000000 ] - [ -0.0002840400000000, 0.0003130700000000, 0.0005341200000000 ] - [ -0.0001616800000000, 0.0004312400000000, -0.0004889100000000 ] - [ -0.0000746600000000, 0.0003922300000000, -0.0004573100000000 ] - [ 0.0000025900000000, 0.0003564100000000, 0.0003322000000000 ] - [ 0.0000041900000000, 0.0003839300000000, 0.0004448400000000 ] - [ -0.0002514100000000, -0.0002356400000000, -0.0004928300000000 ] - [ -0.0003156900000000, -0.0003525000000000, -0.0004576400000000 ] - [ 0.0003589100000000, -0.0001283800000000, -0.0002229600000000 ] - [ 0.0001543000000000, -0.0000768000000000, -0.0001515800000000 ] - [ 0.0003281200000000, -0.0001958900000000, 0.0003652100000000 ] - [ 0.0002900000000000, -0.0001755000000000, 0.0004473800000000 ] - [ 0.0003513200000000, 0.0001821600000000, -0.0004879300000000 ] - [ 0.0004434700000000, -0.0003345900000000, -0.0004803900000000 ] - [ 0.0050364100000000, -0.0029336700000000, 0.0005005800000000 ] - [ -0.0009147500000000, 0.0008447800000000, 0.0002189600000000 ] - [ -0.0001746900000000, -0.0000506800000000, -0.0001861300000000 ] - [ -0.0002311500000000, -0.0001927400000000, -0.0001401600000000 ] - [ 0.0003961600000000, 0.0014907100000000, 0.0004206700000000 ] - [ -0.0002359900000000, -0.0004716400000000, 0.0000073300000000 ] - [ 0.0004406000000000, 0.0012423300000000, 0.0004601500000000 ] - [ 0.0002018900000000, -0.0003534100000000, 0.0001295600000000 ] - [ 0.0002045200000000, -0.0004106900000000, 0.0000559000000000 ] - [ 0.0001718800000000, -0.0003506900000000, -0.0001055200000000 ] - [ 0.0006470400000000, 0.0142360100000000, 0.0556681500000000 ] - [ 0.0000373600000000, 0.0003648000000000, -0.0006375100000000 ] - [ -0.0001203600000000, 0.0000709600000000, -0.0002554400000000 ] - [ -0.0001192900000000, 0.0000498500000000, -0.0004615600000000 ] - [ -0.0024724400000000, 0.0003268400000000, 0.0006222400000000 ] - [ 0.0004094800000000, 0.0001447200000000, -0.0000604200000000 ] - [ 0.0002817000000000, -0.0001877100000000, -0.0000621200000000 ] - [ 0.0002892300000000, -0.0001859700000000, -0.0004583800000000 ] - [ 0.0019973300000000, -0.0007985200000000, -0.0002867800000000 ] - [ -0.0006041700000000, -0.0000808700000000, -0.0002919500000000 ] - [ -0.0004341900000000, -0.0001641700000000, 0.0000342000000000 ] - [ -0.0003590000000000, 0.0000692100000000, 0.0000145900000000 ] - [ 0.0001712000000000, 0.0001610300000000, 0.0004318200000000 ] - [ 0.0003086800000000, 0.0002146100000000, 0.0001872700000000 ] - [ -0.0003461100000000, -0.0008514900000000, 0.0002375900000000 ] - [ -0.0004142800000000, -0.0001335600000000, -0.0001002200000000 ] - [ 0.0000121200000000, 0.0003503300000000, 0.0003866300000000 ] - [ 0.0001460600000000, 0.0003647700000000, 0.0003434800000000 ] - [ -0.0000136200000000, -0.0002621400000000, 0.0003521900000000 ] - [ 0.0000440900000000, -0.0003688700000000, 0.0001722700000000 ] - [ 0.0002365100000000, 0.0000711100000000, -0.0000525400000000 ] - [ 0.0002042000000000, 0.0003213500000000, -0.0001370500000000 ] - [ 0.0003437200000000, -0.0002991000000000, 0.0004281000000000 ] - [ 0.0002448500000000, -0.0002519400000000, 0.0003413900000000 ] - [ 0.0000173600000000, -0.0001199300000000, -0.0003245700000000 ] - [ 0.0000096500000000, -0.0001330500000000, -0.0004459600000000 ] - [ 0.0000917500000000, 0.0000869700000000, -0.0003176800000000 ] - [ 0.0001141900000000, 0.0000602400000000, -0.0004400100000000 ] - [ 0.0006161200000000, -0.0001115300000000, 0.0001650400000000 ] - [ 0.0004756900000000, -0.0001528700000000, 0.0000030500000000 ] - [ 0.0002218700000000, -0.0003670900000000, 0.0000579200000000 ] - [ 0.0002067000000000, -0.0002979800000000, 0.0000175700000000 ] - [ 0.0001611400000000, -0.0010527100000000, 0.0003146600000000 ] - [ 0.0000828800000000, -0.0003575200000000, -0.0005582200000000 ] - [ -0.0004064400000000, -0.0001019600000000, 0.0004311500000000 ] - [ -0.0003131500000000, -0.0001166500000000, 0.0003361900000000 ] - [ -0.0013178200000000, 0.0014143500000000, 0.0475473300000000 ] - [ 0.0002687100000000, 0.0002762500000000, -0.0006638800000000 ] - [ -0.0004528500000000, 0.0001233400000000, 0.0002277300000000 ] - [ -0.0002321000000000, 0.0001624100000000, 0.0000866900000000 ] - [ 0.0008057900000000, -0.0011076200000000, -0.0032257000000000 ] - [ 0.0002854200000000, -0.0001967000000000, -0.0004806800000000 ] - [ 0.0002374100000000, 0.0002193500000000, 0.0000415500000000 ] - [ 0.0001299800000000, 0.0004354400000000, 0.0000014100000000 ] - [ -0.0009230400000000, -0.0010616900000000, -0.0032708600000000 ] - [ -0.0003189000000000, -0.0001296200000000, -0.0004943400000000 ] - [ 0.0000705600000000, 0.0003792500000000, 0.0000127600000000 ] - [ 0.0000045600000000, 0.0003294600000000, -0.0005202800000000 ] - [ 0.0004656600000000, -0.0000393000000000, 0.0002367100000000 ] - [ 0.0005201100000000, 0.0001218700000000, -0.0003116700000000 ] - [ -0.0003059000000000, -0.0001182200000000, 0.0000962200000000 ] - [ -0.0002773300000000, -0.0001677800000000, -0.0005395900000000 ] - [ 0.0006669700000000, 0.0008591100000000, 0.0475080900000000 ] - [ -0.0003615600000000, 0.0001136200000000, -0.0006570100000000 ] - [ -0.0004041500000000, 0.0003903600000000, 0.0001445400000000 ] - [ -0.0003704300000000, 0.0003951400000000, -0.0003058100000000 ] - [ -0.0004178700000000, -0.0000971000000000, 0.0000486100000000 ] - [ -0.0003987900000000, 0.0000235800000000, -0.0000992000000000 ] - [ -0.0000439400000000, 0.0014643300000000, 0.0003943500000000 ] - [ 0.0001478400000000, -0.0005103800000000, 0.0000838700000000 ] - [ -0.0003543800000000, 0.0018067000000000, -0.0030106500000000 ] - [ 0.0001168100000000, -0.0002911700000000, -0.0008887400000000 ] - [ -0.0002203900000000, 0.0005697900000000, 0.0001325300000000 ] - [ -0.0001157600000000, 0.0005056000000000, 0.0000037100000000 ] - [ -0.0000720600000000, -0.0006122000000000, 0.0002137800000000 ] - [ -0.0001457400000000, -0.0005254500000000, -0.0002895800000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002809400000000, -0.0001541700000000, -0.0003975100000000 ] - [ 0.0020428800000000, 0.0020337800000000, -0.0009873000000000 ] - [ -0.0002220700000000, 0.0001958300000000, -0.0002284000000000 ] - [ 0.0000191900000000, 0.0000829900000000, 0.0001731700000000 ] - [ 0.0002030000000000, 0.0000652000000000, -0.0001868600000000 ] - [ 0.0000849100000000, -0.0000781200000000, 0.0001068500000000 ] - [ 0.0000402900000000, -0.0004181900000000, -0.0003619000000000 ] - [ -0.0011724000000000, 0.0016714400000000, -0.0005612300000000 ] - [ 0.0001504300000000, -0.0000439700000000, -0.0002707300000000 ] - [ -0.0004196100000000, -0.0002886400000000, 0.0001584200000000 ] - [ 0.0000898300000000, 0.0001046500000000, -0.0001922200000000 ] - [ 0.0001997200000000, -0.0001481400000000, 0.0000824300000000 ] - [ -0.0000361000000000, 0.0002565300000000, 0.0007247600000000 ] - [ 0.0000595400000000, 0.0001105500000000, -0.0003677800000000 ] - [ -0.0000527900000000, 0.0003248800000000, 0.0010581600000000 ] - [ -0.0003386300000000, -0.0002510800000000, -0.0004355100000000 ] - [ -0.0045098200000000, -0.0034202900000000, -0.0003552800000000 ] - [ 0.0000501200000000, 0.0003986900000000, -0.0005727200000000 ] - [ 0.0002889100000000, -0.0000710200000000, 0.0005447000000000 ] - [ 0.0001362100000000, -0.0000608000000000, -0.0003361500000000 ] - [ 0.0000858200000000, 0.0000779000000000, 0.0006059700000000 ] - [ 0.0002876300000000, -0.0001226000000000, -0.0003432400000000 ] - [ 0.0016941500000000, -0.0036144400000000, 0.0000602200000000 ] - [ -0.0001950300000000, 0.0000610900000000, -0.0004891500000000 ] - [ 0.0046594100000000, 0.0020449400000000, -0.0029920000000000 ] - [ -0.0014393400000000, -0.0000511000000000, -0.0012920500000000 ] - [ 0.0013499100000000, 0.0158450400000000, 0.1540760500000000 ] - [ -0.0000340500000000, -0.0002603300000000, -0.0001810800000000 ] - [ 0.0003977500000000, 0.0000533000000000, 0.0005261700000000 ] - [ 0.0004101100000000, 0.0001024500000000, 0.0004248400000000 ] - [ -0.0002852500000000, -0.0001367000000000, 0.0004571700000000 ] - [ -0.0003169800000000, -0.0001750100000000, 0.0003259400000000 ] - [ 0.0001402800000000, 0.0016609500000000, -0.0004133000000000 ] - [ -0.0000481300000000, -0.0012277800000000, -0.0006820700000000 ] - [ 0.0000088000000000, -0.0011210900000000, -0.0031943100000000 ] - [ -0.0002288900000000, 0.0001984900000000, -0.0000494600000000 ] - [ -0.0001695000000000, -0.0005551200000000, 0.0004719800000000 ] - [ -0.0001237800000000, -0.0004107000000000, 0.0004177500000000 ] - [ -0.0000450900000000, 0.0003762700000000, -0.0001414400000000 ] - [ -0.0000185300000000, 0.0002416100000000, -0.0002060300000000 ] - [ 0.0000596600000000, -0.0012640600000000, -0.0031942000000000 ] - [ 0.0002668300000000, 0.0001273700000000, -0.0000494100000000 ] - [ -0.0001420400000000, 0.0002008600000000, 0.0005423000000000 ] - [ -0.0002795500000000, 0.0002918700000000, 0.0004160100000000 ] - [ -0.0000887100000000, 0.0003752300000000, -0.0004609900000000 ] - [ -0.0001750900000000, 0.0004148600000000, -0.0004950100000000 ] - [ 0.0000143600000000, 0.0003599600000000, 0.0004449300000000 ] - [ 0.0000122000000000, 0.0003348800000000, 0.0003318100000000 ] - [ -0.0003268200000000, -0.0003713200000000, -0.0004571200000000 ] - [ -0.0002641300000000, -0.0002533700000000, -0.0004951000000000 ] - [ 0.0001483800000000, -0.0000745800000000, -0.0001241500000000 ] - [ 0.0003528500000000, -0.0001263000000000, -0.0001985500000000 ] - [ 0.0002646800000000, -0.0001714000000000, 0.0004115600000000 ] - [ 0.0003104800000000, -0.0001962000000000, 0.0003292300000000 ] - [ 0.0004581800000000, -0.0003766700000000, -0.0004607200000000 ] - [ 0.0003646600000000, 0.0001443700000000, -0.0004714400000000 ] - [ -0.0045437400000000, 0.0033994000000000, -0.0012757000000000 ] - [ 0.0015106400000000, -0.0004559200000000, -0.0009933000000000 ] - [ -0.0002606000000000, -0.0002868100000000, -0.0001608400000000 ] - [ -0.0002027300000000, -0.0001412000000000, -0.0002101500000000 ] - [ -0.0006329400000000, -0.0016456300000000, 0.0003244000000000 ] - [ 0.0000088100000000, 0.0003462700000000, 0.0007483900000000 ] - [ 0.0001236600000000, -0.0009470200000000, 0.0001042900000000 ] - [ 0.0003634200000000, 0.0006631500000000, 0.0004488300000000 ] - [ 0.0001402200000000, -0.0002798000000000, -0.0001259100000000 ] - [ 0.0001742300000000, -0.0003408200000000, 0.0000367900000000 ] - [ -0.0005075500000000, -0.0112910900000000, -0.0558432800000000 ] - [ 0.0000438400000000, 0.0003373700000000, 0.0001776200000000 ] - [ -0.0001038400000000, 0.0000431300000000, -0.0005002100000000 ] - [ -0.0001043800000000, 0.0000667800000000, -0.0002932100000000 ] - [ 0.0019533800000000, 0.0000021700000000, -0.0000621500000000 ] - [ -0.0009731700000000, 0.0001858900000000, 0.0006368800000000 ] - [ 0.0002925800000000, -0.0001381000000000, -0.0005113200000000 ] - [ 0.0002849700000000, -0.0001458000000000, -0.0001127800000000 ] - [ -0.0020672000000000, 0.0001537400000000, 0.0008561600000000 ] - [ 0.0005693200000000, -0.0005723100000000, 0.0008629800000000 ] - [ -0.0003344800000000, 0.0001255400000000, 0.0000332900000000 ] - [ -0.0004100800000000, -0.0001122600000000, 0.0000563400000000 ] - [ 0.0003962700000000, 0.0002606300000000, 0.0000232700000000 ] - [ 0.0002563900000000, 0.0002059700000000, 0.0002784000000000 ] - [ -0.0004020900000000, 0.0000770900000000, -0.0000927200000000 ] - [ -0.0003345100000000, -0.0006481000000000, 0.0002522200000000 ] - [ 0.0001767800000000, 0.0003714100000000, 0.0003597100000000 ] - [ 0.0000453200000000, 0.0003587600000000, 0.0004057500000000 ] - [ 0.0000974600000000, -0.0004281500000000, 0.0001032000000000 ] - [ 0.0000379000000000, -0.0003198700000000, 0.0002948600000000 ] - [ 0.0001773200000000, 0.0005782100000000, -0.0000165000000000 ] - [ 0.0002083700000000, 0.0003358100000000, 0.0000690200000000 ] - [ 0.0001838700000000, -0.0002298800000000, 0.0003203700000000 ] - [ 0.0002863200000000, -0.0002771500000000, 0.0004106800000000 ] - [ -0.0000074700000000, -0.0001323800000000, -0.0004312000000000 ] - [ 0.0000012700000000, -0.0001200700000000, -0.0003088200000000 ] - [ 0.0001165100000000, 0.0000491800000000, -0.0004382400000000 ] - [ 0.0000934500000000, 0.0000798400000000, -0.0003148000000000 ] - [ 0.0004432500000000, -0.0001398300000000, -0.0000207200000000 ] - [ 0.0005841700000000, -0.0000986900000000, 0.0001516900000000 ] - [ 0.0002113600000000, -0.0002845100000000, 0.0000087700000000 ] - [ 0.0002256200000000, -0.0003547300000000, 0.0000526600000000 ] - [ 0.0000112900000000, 0.0004182800000000, -0.0010645900000000 ] - [ 0.0000891300000000, -0.0003687200000000, -0.0001886100000000 ] - [ -0.0003079800000000, -0.0001093900000000, 0.0003156500000000 ] - [ -0.0003995500000000, -0.0000959200000000, 0.0004140200000000 ] - [ 0.0026784800000000, -0.0014584700000000, -0.0483201900000000 ] - [ 0.0002623100000000, 0.0002477700000000, -0.0000826400000000 ] - [ -0.0001829300000000, 0.0001693100000000, 0.0002295200000000 ] - [ -0.0004031200000000, 0.0001314500000000, 0.0003798200000000 ] - [ -0.0002899800000000, 0.0008011300000000, 0.0027486400000000 ] - [ 0.0002869900000000, -0.0002114100000000, 0.0000188700000000 ] - [ 0.0001225200000000, 0.0004722200000000, 0.0000252000000000 ] - [ 0.0002295000000000, 0.0002528000000000, 0.0000688100000000 ] - [ 0.0003432600000000, 0.0008865700000000, 0.0027943300000000 ] - [ -0.0003190200000000, -0.0001485700000000, 0.0000318200000000 ] - [ -0.0000896000000000, 0.0002634800000000, -0.0005878300000000 ] - [ -0.0000121000000000, 0.0003188300000000, -0.0000507900000000 ] - [ 0.0005856300000000, 0.0002946000000000, -0.0003891900000000 ] - [ 0.0005361900000000, 0.0001368900000000, 0.0001619500000000 ] - [ -0.0002379500000000, -0.0002399200000000, -0.0006699100000000 ] - [ -0.0002776700000000, -0.0001821500000000, -0.0000301300000000 ] - [ -0.0022760100000000, -0.0012944500000000, -0.0482852500000000 ] - [ -0.0003637100000000, 0.0000784700000000, -0.0000917800000000 ] - [ -0.0003426600000000, 0.0003990500000000, -0.0002971300000000 ] - [ -0.0003778800000000, 0.0003981200000000, 0.0001568600000000 ] - [ -0.0003658200000000, 0.0001471100000000, -0.0001178400000000 ] - [ -0.0003840300000000, 0.0000246600000000, 0.0000305800000000 ] - [ 0.0002579200000000, -0.0016433200000000, 0.0003518500000000 ] - [ 0.0000635400000000, 0.0003657900000000, 0.0006725900000000 ] - [ 0.0003723000000000, -0.0016173400000000, 0.0038626600000000 ] - [ -0.0001001900000000, 0.0005302900000000, 0.0016266900000000 ] - [ -0.0000849200000000, 0.0004729400000000, 0.0000118900000000 ] - [ -0.0001891300000000, 0.0005371900000000, 0.0001502000000000 ] - [ -0.0002325400000000, -0.0004250200000000, -0.0003664200000000 ] - [ -0.0001621200000000, -0.0005153300000000, 0.0001395900000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001310400000000, -0.0001090000000000, 0.0001542800000000 ] - [ -0.0001204800000000, -0.0010415300000000, -0.0006146700000000 ] - [ -0.0001854500000000, -0.0001559400000000, -0.0003660000000000 ] - [ 0.0009050800000000, -0.0042727300000000, 0.0034134500000000 ] - [ 0.0004041300000000, -0.0000658200000000, 0.0005491700000000 ] - [ 0.0034418500000000, -0.0006978200000000, -0.0027683500000000 ] - [ -0.0001390100000000, 0.0000884100000000, -0.0001916900000000 ] - [ -0.0003043100000000, 0.0011235100000000, 0.0006405300000000 ] - [ -0.0001351100000000, 0.0001737400000000, 0.0002740000000000 ] - [ 0.0006870300000000, 0.0025715500000000, -0.0020701700000000 ] - [ 0.0005551500000000, 0.0000586900000000, -0.0003386400000000 ] - [ 0.0026909000000000, 0.0002033100000000, 0.0014396200000000 ] - [ 0.0032128500000000, -0.0125339600000000, -0.0079380000000000 ] - [ -0.0003131800000000, -0.0001254600000000, 0.0006084500000000 ] - [ 0.0023482600000000, 0.0062129400000000, 0.0034474400000000 ] - [ -0.0002407100000000, 0.0001889200000000, -0.0003345700000000 ] - [ -0.0001637400000000, -0.0028299300000000, 0.0012695900000000 ] - [ -0.0001773100000000, -0.0001900600000000, -0.0001471700000000 ] - [ 0.0088247200000000, -0.0018560400000000, 0.0053445800000000 ] - [ 0.0004377100000000, -0.0000672500000000, -0.0006900100000000 ] - [ 0.0060316600000000, 0.0000719800000000, -0.0023868300000000 ] - [ 0.0008266300000000, 0.0000861100000000, 0.0004065300000000 ] - [ -0.0009888100000000, 0.0030010500000000, -0.0013675300000000 ] - [ -0.0002192700000000, 0.0001219800000000, 0.0002227800000000 ] - [ -0.0001473000000000, 0.0008945500000000, -0.0003121400000000 ] - [ -0.0000490900000000, 0.0005795200000000, -0.0004323200000000 ] - [ 0.0018053200000000, -0.0000847400000000, 0.0001890300000000 ] - [ 0.0001712800000000, -0.0002475100000000, 0.0001772600000000 ] - [ -0.3988543900000000, -0.0223788700000000, -0.0006110200000000 ] - [ -0.0001428000000000, 0.0001330400000000, 0.0004775900000000 ] - [ -0.0014645100000000, -0.0011474300000000, 0.0003910000000000 ] - [ -0.0004437000000000, -0.0004019600000000, 0.0003952000000000 ] - [ 0.0011795300000000, 0.0002034900000000, -0.0003468800000000 ] - [ 0.0008672200000000, 0.0000111400000000, -0.0003823100000000 ] - [ 0.0044762000000000, -0.0015902300000000, 0.0003340500000000 ] - [ 0.0002180800000000, 0.0000347500000000, 0.0001847800000000 ] - [ -0.0214229500000000, -0.0421878100000000, 0.0011737000000000 ] - [ -0.0005750600000000, -0.0004455800000000, 0.0004673900000000 ] - [ 0.0003658200000000, 0.0000997600000000, -0.0001204400000000 ] - [ 0.0000246600000000, -0.0000379200000000, -0.0002143400000000 ] - [ 0.0053372200000000, 0.0020220500000000, 0.0000142500000000 ] - [ 0.0006875600000000, 0.0002233000000000, 0.0001637200000000 ] - [ 0.0095083600000000, 0.0599531300000000, -0.0007276300000000 ] - [ -0.0006090300000000, 0.0004215800000000, 0.0004966300000000 ] - [ -0.0067513400000000, 0.0002999300000000, 0.0027016100000000 ] - [ -0.0027852400000000, 0.0004827000000000, -0.0011836800000000 ] - [ 0.0016463200000000, -0.0004943500000000, 0.0003899700000000 ] - [ 0.0001909900000000, 0.0002576400000000, 0.0003784500000000 ] - [ -0.0028692400000000, 0.0005933200000000, -0.0043966700000000 ] - [ -0.0015725300000000, -0.0000233400000000, 0.0006951400000000 ] - [ 0.0019988900000000, -0.0007836800000000, -0.0000967300000000 ] - [ 0.0012260900000000, -0.0006227100000000, -0.0002304200000000 ] - [ 0.0009877000000000, 0.0009126600000000, 0.0004199200000000 ] - [ 0.0002610400000000, -0.0000983200000000, 0.0003989400000000 ] - [ -0.0041120200000000, -0.0007266700000000, -0.0003038500000000 ] - [ -0.0015996000000000, -0.0002938100000000, -0.0005393200000000 ] - [ 0.0009971500000000, 0.0000688900000000, -0.0004101600000000 ] - [ 0.0009483200000000, 0.0000983600000000, -0.0004089700000000 ] - [ 0.0013173600000000, 0.0005756100000000, -0.0002169000000000 ] - [ 0.0005946000000000, 0.0002408000000000, -0.0001398800000000 ] - [ -0.0006297000000000, -0.0004709900000000, 0.0000835800000000 ] - [ -0.0004659600000000, -0.0002741100000000, 0.0006015500000000 ] - [ -0.0016459000000000, -0.0003889000000000, -0.0001738700000000 ] - [ -0.0007174500000000, -0.0001698200000000, 0.0006676800000000 ] - [ 0.1805908600000000, 0.0397682800000000, 0.0042535600000000 ] - [ 0.0004851100000000, -0.0003199700000000, -0.0000488800000000 ] - [ 0.0004288800000000, 0.0001709700000000, -0.0003100000000000 ] - [ 0.0001016000000000, 0.0003185100000000, -0.0002357100000000 ] - [ -0.0006851800000000, 0.0007523100000000, -0.0004017500000000 ] - [ -0.0001546200000000, 0.0001836700000000, -0.0003763900000000 ] - [ -0.0014101300000000, 0.0008994000000000, 0.0006438300000000 ] - [ -0.0009728200000000, 0.0005605500000000, -0.0001263600000000 ] - [ -0.0020242900000000, 0.0005023800000000, -0.0001989500000000 ] - [ -0.0000739700000000, -0.0000910500000000, -0.0003017700000000 ] - [ -0.0002202000000000, -0.0011796800000000, 0.0004268200000000 ] - [ -0.0002284200000000, -0.0007884600000000, 0.0003101500000000 ] - [ 0.0021389300000000, 0.0009743800000000, -0.0020912500000000 ] - [ 0.0007858700000000, 0.0002694300000000, 0.0007909600000000 ] - [ -0.0007002800000000, -0.0006501500000000, 0.0009246400000000 ] - [ -0.0001536400000000, -0.0002102500000000, -0.0001729400000000 ] - [ 0.0010254100000000, -0.0002781300000000, -0.0001305100000000 ] - [ 0.0002387300000000, -0.0004100400000000, 0.0001670000000000 ] - [ -0.0012410400000000, 0.0002667700000000, 0.0003907900000000 ] - [ -0.0006102100000000, 0.0003400300000000, 0.0003656600000000 ] - [ 0.0012079100000000, -0.0000763500000000, 0.0001869300000000 ] - [ 0.0006749600000000, -0.0000820800000000, 0.0000980500000000 ] - [ 0.0293573600000000, -0.0071020700000000, 0.0000019600000000 ] - [ 0.0005878900000000, 0.0002904200000000, -0.0000396400000000 ] - [ -0.0001055600000000, -0.0007383600000000, 0.0002770800000000 ] - [ 0.0001591700000000, -0.0004547800000000, 0.0004980200000000 ] - [ -0.0001944500000000, -0.0010622800000000, -0.0003905700000000 ] - [ 0.0000485300000000, -0.0001261900000000, -0.0003955100000000 ] - [ -0.0012737000000000, -0.0003572900000000, -0.0003436000000000 ] - [ -0.0000052600000000, 0.0000549400000000, -0.0003716300000000 ] - [ 0.0021961700000000, -0.0000630800000000, -0.0033822400000000 ] - [ 0.0014642200000000, -0.0000049400000000, 0.0012743200000000 ] - [ 0.0048069000000000, -0.0002918800000000, 0.0020024900000000 ] - [ 0.0020509600000000, -0.0004063100000000, -0.0005979600000000 ] - [ -0.0045311700000000, -0.0002624200000000, -0.0003980300000000 ] - [ -0.0002860600000000, -0.0003498300000000, -0.0003625500000000 ] - [ -0.0008715100000000, 0.0004486300000000, 0.0003722400000000 ] - [ -0.0006271500000000, 0.0003088600000000, 0.0003297000000000 ] - [ -0.0013407900000000, 0.0017579200000000, -0.0003894400000000 ] - [ 0.0001075000000000, 0.0003767800000000, -0.0003955400000000 ] - [ -0.0012745900000000, 0.0014088300000000, -0.0007252800000000 ] - [ -0.0007747000000000, 0.0007902300000000, 0.0008434400000000 ] - [ -0.0044931000000000, 0.0021646000000000, 0.0000739300000000 ] - [ 0.0000236900000000, -0.0000705000000000, -0.0002333500000000 ] - [ 0.0026260000000000, -0.0009093300000000, 0.0012376000000000 ] - [ 0.0013061700000000, -0.0001618400000000, -0.0005451500000000 ] - [ -0.0053886900000000, -0.0031043300000000, -0.0004510400000000 ] - [ -0.0005407600000000, -0.0003312300000000, -0.0002532000000000 ] - [ 0.0006400000000000, 0.0020245800000000, -0.0004581100000000 ] - [ 0.0000332400000000, 0.0006052900000000, -0.0002904700000000 ] - [ -0.0036851800000000, 0.0161694800000000, -0.0012611400000000 ] - [ 0.0007540800000000, 0.0001761700000000, -0.0000936600000000 ] - [ -0.0008492700000000, -0.0014016600000000, -0.0002852200000000 ] - [ -0.0003094800000000, -0.0003487100000000, -0.0002948700000000 ] - [ -0.0021964400000000, -0.0016010300000000, -0.0003475200000000 ] - [ -0.0005404500000000, -0.0000234900000000, -0.0003721500000000 ] - [ 0.0633168600000000, 0.0520996200000000, 0.0016952600000000 ] - [ -0.0000641300000000, 0.0004170000000000, -0.0000853200000000 ] - [ 0.1404298300000000, -0.0697183500000000, -0.0032140600000000 ] - [ -0.0000853400000000, -0.0000401900000000, -0.0000321300000000 ] - [ -0.0008235400000000, -0.0002530700000000, 0.0006283300000000 ] - [ -0.0005314900000000, -0.0002167600000000, 0.0001695000000000 ] - [ -0.0005317500000000, 0.0002078000000000, 0.0003262800000000 ] - [ -0.0004305700000000, 0.0001995400000000, 0.0004302800000000 ] - [ 0.0001196100000000, 0.0003323400000000, 0.0030174200000000 ] - [ 0.0002192700000000, 0.0003510100000000, -0.0011826400000000 ] - [ -0.0128808100000000, -0.0163149500000000, 0.0018152500000000 ] - [ -0.0000144200000000, -0.0005837800000000, -0.0000756800000000 ]- atom: 29 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000038800000000, 0.0003415900000000, -0.0001545300000000 ] - [ -0.0000161300000000, 0.0012749600000000, 0.0006160800000000 ] - [ 0.0000318800000000, 0.0004174900000000, 0.0003671300000000 ] - [ -0.0010713200000000, 0.0045167900000000, -0.0033946700000000 ] - [ -0.0001006700000000, 0.0000656400000000, -0.0005506500000000 ] - [ -0.0031465200000000, 0.0007071200000000, 0.0027834700000000 ] - [ -0.0000105400000000, -0.0003478300000000, 0.0001913200000000 ] - [ 0.0001581500000000, -0.0013785500000000, -0.0006356100000000 ] - [ 0.0000015700000000, -0.0004082000000000, -0.0002719800000000 ] - [ -0.0008037100000000, -0.0028118400000000, 0.0020733500000000 ] - [ -0.0002869800000000, -0.0000586300000000, 0.0003373000000000 ] - [ -0.0024209000000000, -0.0002017500000000, -0.0014358100000000 ] - [ -0.0034603300000000, 0.0128323500000000, 0.0078700000000000 ] - [ 0.0000882200000000, 0.0005101800000000, -0.0006088300000000 ] - [ -0.0024920000000000, -0.0065689100000000, -0.0034489900000000 ] - [ 0.0000434200000000, -0.0005324500000000, 0.0003313300000000 ] - [ -0.0000397300000000, 0.0031761300000000, -0.0012718400000000 ] - [ -0.0000203400000000, 0.0005345800000000, 0.0001480300000000 ] - [ -0.0084084400000000, 0.0018889900000000, -0.0053791700000000 ] - [ 0.0000084400000000, 0.0000652800000000, 0.0006916900000000 ] - [ -0.0056292800000000, -0.0000647600000000, 0.0023795200000000 ] - [ -0.0004302500000000, -0.0000859000000000, -0.0004047200000000 ] - [ 0.0007781000000000, -0.0033725400000000, 0.0013558500000000 ] - [ -0.0000029500000000, -0.0005054600000000, -0.0002220800000000 ] - [ -0.0004667800000000, -0.0005656300000000, -0.0004649900000000 ] - [ -0.0005668600000000, -0.0002486200000000, -0.0003435200000000 ] - [ -0.0018786700000000, -0.0004622600000000, 0.0001594900000000 ] - [ -0.0002420900000000, -0.0002957400000000, 0.0001716500000000 ] - [ 0.3904811200000000, 0.0081195300000000, 0.0009876600000000 ] - [ 0.0009680300000000, 0.0000481400000000, 0.0004721000000000 ] - [ 0.0008117000000000, 0.0008151800000000, 0.0003864000000000 ] - [ -0.0001904300000000, 0.0000585100000000, 0.0003822900000000 ] - [ -0.0011589900000000, -0.0009314200000000, -0.0004321300000000 ] - [ -0.0008465400000000, -0.0007356300000000, -0.0003932500000000 ] - [ -0.0049013100000000, 0.0019164900000000, 0.0000156800000000 ] - [ -0.0006497200000000, 0.0003053500000000, 0.0001639300000000 ] - [ 0.0209437700000000, 0.0414407000000000, -0.0002275000000000 ] - [ 0.0003396500000000, -0.0003570600000000, 0.0004826900000000 ] - [ -0.0004499200000000, 0.0004597600000000, -0.0002268400000000 ] - [ -0.0001099800000000, 0.0005890600000000, -0.0001352300000000 ] - [ -0.0048427400000000, -0.0018414400000000, 0.0003366100000000 ] - [ -0.0001727300000000, -0.0000235600000000, 0.0001849900000000 ] - [ -0.0096141700000000, -0.0591789400000000, 0.0016834900000000 ] - [ 0.0000471300000000, 0.0001843600000000, 0.0004536200000000 ] - [ 0.0065329800000000, 0.0004959600000000, -0.0036221500000000 ] - [ 0.0025397700000000, 0.0003184500000000, 0.0002238100000000 ] - [ -0.0016318100000000, 0.0012289700000000, 0.0003867900000000 ] - [ -0.0001744700000000, 0.0004632700000000, 0.0003987300000000 ] - [ 0.0022578900000000, -0.0012100900000000, 0.0034484500000000 ] - [ 0.0009839100000000, -0.0005867800000000, -0.0016489000000000 ] - [ -0.0014954400000000, 0.0005887600000000, -0.0002517300000000 ] - [ -0.0007194500000000, 0.0004231100000000, -0.0001186100000000 ] - [ -0.0003787000000000, -0.0012658600000000, 0.0003570700000000 ] - [ 0.0003369600000000, -0.0002704200000000, 0.0003781400000000 ] - [ 0.0049163500000000, 0.0005359300000000, -0.0006461800000000 ] - [ 0.0024058600000000, 0.0001069900000000, -0.0004118200000000 ] - [ -0.0003837300000000, 0.0003039300000000, -0.0003675000000000 ] - [ -0.0003334900000000, 0.0002751300000000, -0.0003674700000000 ] - [ -0.0017510100000000, -0.0009028600000000, -0.0001314800000000 ] - [ -0.0010289100000000, -0.0005705400000000, -0.0002093500000000 ] - [ 0.0004025900000000, 0.0003580000000000, 0.0006736600000000 ] - [ 0.0002381800000000, 0.0001589300000000, 0.0001546200000000 ] - [ 0.0022156600000000, 0.0007105400000000, 0.0007545200000000 ] - [ 0.0012842400000000, 0.0004874100000000, -0.0000968000000000 ] - [ -0.1672751800000000, -0.0345526600000000, -0.0039865200000000 ] - [ -0.0001377100000000, -0.0003718000000000, -0.0000211000000000 ] - [ -0.0003460200000000, 0.0005309300000000, -0.0001513800000000 ] - [ -0.0000200500000000, 0.0003832200000000, -0.0002270800000000 ] - [ 0.0004623800000000, -0.0006489700000000, -0.0003540200000000 ] - [ -0.0000699500000000, -0.0000691300000000, -0.0003797100000000 ] - [ 0.0008375600000000, -0.0005661600000000, -0.0000685600000000 ] - [ 0.0004002700000000, -0.0002281800000000, 0.0007012000000000 ] - [ 0.0026024300000000, -0.0008420700000000, -0.0003746700000000 ] - [ 0.0006480000000000, -0.0002398700000000, -0.0002709200000000 ] - [ 0.0001875000000000, 0.0005240900000000, 0.0001436400000000 ] - [ 0.0001972600000000, 0.0001329100000000, 0.0002644100000000 ] - [ -0.0029164400000000, -0.0010100600000000, 0.0021596600000000 ] - [ -0.0015578900000000, -0.0003106900000000, -0.0007197300000000 ] - [ 0.0012657900000000, 0.0010668400000000, -0.0004607000000000 ] - [ 0.0007200200000000, 0.0006289000000000, 0.0006333500000000 ] - [ -0.0017720800000000, -0.0005107900000000, 0.0002840300000000 ] - [ -0.0009863000000000, -0.0003791100000000, -0.0000177500000000 ] - [ 0.0014302900000000, 0.0004518000000000, 0.0003582700000000 ] - [ 0.0008012800000000, 0.0003816500000000, 0.0003819300000000 ] - [ -0.0011200500000000, -0.0006232800000000, 0.0002665500000000 ] - [ -0.0005909400000000, -0.0006104200000000, 0.0003674600000000 ] - [ -0.0289611900000000, 0.0075344600000000, -0.0000603800000000 ] - [ -0.0001746700000000, 0.0003670900000000, -0.0000300000000000 ] - [ 0.0006333400000000, 0.0002015200000000, 0.0004729800000000 ] - [ 0.0003725900000000, -0.0000782500000000, 0.0002537700000000 ] - [ 0.0002065000000000, 0.0007846400000000, -0.0003660700000000 ] - [ -0.0000372500000000, -0.0001282200000000, -0.0003603800000000 ] - [ 0.0014826500000000, 0.0004818300000000, -0.0004123400000000 ] - [ 0.0002139800000000, 0.0000831900000000, -0.0003841600000000 ] - [ -0.0011528400000000, -0.0001811700000000, 0.0035356600000000 ] - [ -0.0004048300000000, -0.0002409300000000, -0.0011208800000000 ] - [ -0.0043598400000000, -0.0003516200000000, -0.0019580000000000 ] - [ -0.0016141000000000, -0.0002441700000000, 0.0006755700000000 ] - [ 0.0047126800000000, -0.0004594800000000, -0.0003499200000000 ] - [ 0.0004574400000000, -0.0003747500000000, -0.0003860000000000 ] - [ 0.0001606000000000, -0.0006696400000000, 0.0003770900000000 ] - [ -0.0000853200000000, -0.0005253200000000, 0.0004197900000000 ] - [ 0.0018737500000000, -0.0012241500000000, -0.0003587500000000 ] - [ 0.0004237900000000, 0.0001496400000000, -0.0003533300000000 ] - [ 0.0006407200000000, -0.0011240800000000, 0.0011927400000000 ] - [ 0.0001379600000000, -0.0004996000000000, -0.0003826300000000 ] - [ 0.0050482500000000, -0.0025579500000000, -0.0005347800000000 ] - [ 0.0005482100000000, -0.0003349700000000, -0.0002305600000000 ] - [ -0.0022589200000000, 0.0016080900000000, -0.0011670300000000 ] - [ -0.0009434900000000, 0.0008526100000000, 0.0006146300000000 ] - [ 0.0047872200000000, 0.0028592500000000, -0.0000089900000000 ] - [ -0.0000971100000000, 0.0000556500000000, -0.0002112800000000 ] - [ -0.0006387000000000, -0.0013771400000000, -0.0001171000000000 ] - [ -0.0000428500000000, 0.0000417000000000, -0.0002829200000000 ] - [ 0.0047430200000000, -0.0158144300000000, 0.0011003300000000 ] - [ 0.0003056200000000, 0.0000778600000000, -0.0000578400000000 ] - [ 0.0002898700000000, 0.0010439100000000, -0.0002868900000000 ] - [ -0.0002426200000000, -0.0000034000000000, -0.0002770200000000 ] - [ 0.0014747600000000, 0.0018110000000000, -0.0004033800000000 ] - [ -0.0001850500000000, 0.0002180900000000, -0.0003787700000000 ] - [ -0.0630655500000000, -0.0495613600000000, -0.0017578800000000 ] - [ -0.0006826000000000, 0.0003829800000000, -0.0000651900000000 ] - [ -0.1462348100000000, 0.0764262700000000, 0.0033537600000000 ] - [ -0.0006989700000000, 0.0000890300000000, -0.0000376600000000 ] - [ 0.0010366200000000, 0.0001182100000000, 0.0001290200000000 ] - [ 0.0007431800000000, 0.0000819600000000, 0.0005857100000000 ] - [ 0.0005453700000000, 0.0000431200000000, 0.0004304600000000 ] - [ 0.0004450100000000, 0.0000498500000000, 0.0003247200000000 ] - [ -0.0004135100000000, 0.0007115100000000, -0.0028569800000000 ] - [ -0.0005227600000000, 0.0006939300000000, 0.0013306300000000 ] - [ 0.0125868900000000, 0.0153658300000000, -0.0019792800000000 ] - [ -0.0002969000000000, -0.0004596600000000, -0.0000759500000000 ]- atom: 29 displacement: [ -0.0050000000040513, 0.0086602540355054, 0.0000000000000000 ] forces: - [ -0.0002185400000000, 0.0006330600000000, -0.0002438100000000 ] - [ -0.0007527300000000, 0.0023652500000000, 0.0011003600000000 ] - [ -0.0002414900000000, 0.0000031100000000, 0.0007324800000000 ] - [ -0.0046712900000000, 0.0020737800000000, -0.0047296400000000 ] - [ -0.0000570100000000, -0.0001805600000000, -0.0006451000000000 ] - [ -0.0039052600000000, -0.0005081700000000, 0.0035935400000000 ] - [ 0.0002040200000000, 0.0001637100000000, -0.0000712100000000 ] - [ 0.0011160300000000, 0.0009825100000000, 0.0006511900000000 ] - [ 0.0001847500000000, -0.0004147500000000, 0.0005833800000000 ] - [ 0.0033304800000000, 0.0005063700000000, -0.0031203100000000 ] - [ -0.0000552500000000, -0.0000913300000000, 0.0000040600000000 ] - [ -0.0004481300000000, -0.0003961000000000, -0.0000116300000000 ] - [ -0.0154426300000000, 0.0063558500000000, 0.0108106600000000 ] - [ -0.0002483500000000, -0.0000955800000000, -0.0009359500000000 ] - [ 0.0101504600000000, 0.0039052100000000, 0.0066749300000000 ] - [ 0.0002073400000000, -0.0006149100000000, -0.0007862700000000 ] - [ -0.0018562500000000, 0.0060589100000000, -0.0021630100000000 ] - [ -0.0003191900000000, 0.0009692800000000, 0.0003388500000000 ] - [ -0.0108273200000000, -0.0012741300000000, -0.0074389200000000 ] - [ 0.0000389700000000, -0.0002895700000000, 0.0009342700000000 ] - [ -0.0008894700000000, -0.0006990400000000, -0.0000980200000000 ] - [ -0.0001399700000000, -0.0001449300000000, 0.0000575000000000 ] - [ 0.0028865800000000, 0.0024831100000000, -0.0013374600000000 ] - [ 0.0002946800000000, 0.0002379200000000, 0.0001598300000000 ] - [ 0.0008123200000000, -0.0009318300000000, -0.0003869100000000 ] - [ 0.0003086500000000, -0.0002897000000000, -0.0004627000000000 ] - [ -0.0001506800000000, 0.0022402900000000, 0.0002037300000000 ] - [ -0.0000415700000000, 0.0000498800000000, 0.0001668400000000 ] - [ 0.1932943900000000, -0.5255602800000000, -0.0188392000000000 ] - [ 0.0007275500000000, -0.0006715400000000, 0.0004659000000000 ] - [ -0.0017869100000000, 0.0044080800000000, 0.0004250900000000 ] - [ -0.0004683800000000, 0.0002729200000000, 0.0003805000000000 ] - [ -0.0004320200000000, -0.0027891300000000, -0.0003997200000000 ] - [ -0.0003604200000000, -0.0019689400000000, -0.0004090700000000 ] - [ -0.0027433200000000, 0.0012298100000000, 0.0001585000000000 ] - [ -0.0005268600000000, 0.0002124000000000, 0.0001677500000000 ] - [ -0.0033003200000000, 0.0667572800000000, -0.0007157500000000 ] - [ 0.0000979900000000, -0.0005970800000000, 0.0005023200000000 ] - [ -0.0008618400000000, 0.0043362600000000, 0.0000394400000000 ] - [ -0.0005162400000000, 0.0021651200000000, -0.0003624100000000 ] - [ -0.0007976000000000, -0.0006557900000000, 0.0002303100000000 ] - [ 0.0001637300000000, -0.0000857500000000, 0.0001827300000000 ] - [ 0.0239286100000000, -0.0103565800000000, 0.0005128400000000 ] - [ -0.0000388900000000, -0.0000842600000000, 0.0004831300000000 ] - [ 0.0026083000000000, -0.0057080400000000, -0.0034966100000000 ] - [ 0.0009605200000000, -0.0020472000000000, 0.0005036700000000 ] - [ -0.0015456800000000, 0.0033717200000000, 0.0003849900000000 ] - [ -0.0001726600000000, 0.0007424200000000, 0.0004181600000000 ] - [ 0.0012955900000000, -0.0036111200000000, -0.0004689900000000 ] - [ 0.0007196200000000, -0.0019073500000000, -0.0003623000000000 ] - [ -0.0020515700000000, 0.0024384000000000, -0.0002158500000000 ] - [ -0.0009582800000000, 0.0013483900000000, -0.0001454800000000 ] - [ 0.0012693400000000, 0.0030008500000000, 0.0004133000000000 ] - [ 0.0003898500000000, 0.0001328900000000, 0.0003822000000000 ] - [ 0.0032146100000000, 0.0013889700000000, -0.0021918900000000 ] - [ 0.0015816400000000, 0.0004934400000000, 0.0003736300000000 ] - [ -0.0012212300000000, -0.0005142300000000, -0.0004247900000000 ] - [ -0.0006542400000000, -0.0000786800000000, -0.0003600100000000 ] - [ -0.0004160300000000, 0.0018319300000000, -0.0001389100000000 ] - [ -0.0003878800000000, 0.0009700700000000, -0.0002257200000000 ] - [ -0.0006235600000000, 0.0011700200000000, 0.0002463200000000 ] - [ -0.0004321200000000, 0.0006516600000000, 0.0005416700000000 ] - [ 0.0019957900000000, 0.0021173300000000, 0.0014850500000000 ] - [ 0.0011279600000000, 0.0012652100000000, -0.0005595000000000 ] - [ -0.0603365700000000, 0.0420904200000000, -0.0002726100000000 ] - [ 0.0000945800000000, 0.0000231200000000, -0.0000339400000000 ] - [ -0.0004564900000000, -0.0019952100000000, -0.0001497500000000 ] - [ -0.0000308500000000, 0.0001072800000000, -0.0002375500000000 ] - [ 0.0008667000000000, -0.0033737700000000, -0.0003201300000000 ] - [ -0.0000429700000000, -0.0002987900000000, -0.0003975500000000 ] - [ 0.0021562600000000, -0.0016413600000000, -0.0009134000000000 ] - [ 0.0008478800000000, -0.0005455000000000, 0.0010987400000000 ] - [ 0.0025858800000000, -0.0021156300000000, -0.0004877300000000 ] - [ 0.0005488800000000, -0.0004138300000000, -0.0002915000000000 ] - [ -0.0021235400000000, -0.0014112300000000, -0.0008265400000000 ] - [ -0.0008192000000000, -0.0007422400000000, 0.0008669000000000 ] - [ -0.0018321900000000, 0.0013609400000000, 0.0037157600000000 ] - [ -0.0010824900000000, 0.0007701000000000, -0.0014848400000000 ] - [ -0.0001894200000000, -0.0002668500000000, 0.0003752000000000 ] - [ 0.0000914400000000, -0.0000599400000000, 0.0001630200000000 ] - [ -0.0011142300000000, -0.0014351200000000, 0.0011901600000000 ] - [ -0.0007049100000000, -0.0008075100000000, -0.0006126700000000 ] - [ 0.0011619600000000, -0.0004847000000000, 0.0004550700000000 ] - [ 0.0006934800000000, -0.0001494800000000, 0.0002940500000000 ] - [ 0.0001498200000000, -0.0033764300000000, -0.0024839800000000 ] - [ 0.0000547800000000, -0.0014215700000000, 0.0015742000000000 ] - [ -0.0226697500000000, -0.0055758900000000, 0.0005047900000000 ] - [ -0.0000616200000000, 0.0004759700000000, -0.0000485500000000 ] - [ -0.0000457900000000, -0.0025095100000000, 0.0000857600000000 ] - [ 0.0001978300000000, -0.0013857300000000, 0.0006016200000000 ] - [ 0.0003357000000000, -0.0032658500000000, -0.0004893400000000 ] - [ 0.0000302100000000, -0.0003544500000000, -0.0003615500000000 ] - [ 0.0013470100000000, -0.0024816100000000, -0.0003800800000000 ] - [ 0.0002559300000000, -0.0002031300000000, -0.0003941300000000 ] - [ -0.0004590200000000, 0.0040370100000000, 0.0004703900000000 ] - [ 0.0002690400000000, 0.0015275000000000, -0.0001757500000000 ] - [ -0.0015499600000000, 0.0025067100000000, -0.0014724400000000 ] - [ -0.0006918400000000, 0.0007695200000000, 0.0004116700000000 ] - [ 0.0014806700000000, -0.0001701400000000, -0.0003403700000000 ] - [ 0.0002485800000000, -0.0002851800000000, -0.0003889400000000 ] - [ 0.0012288500000000, -0.0028415300000000, 0.0003160500000000 ] - [ 0.0004091200000000, -0.0014998400000000, 0.0004561100000000 ] - [ 0.0011796000000000, -0.0010904200000000, -0.0004007600000000 ] - [ 0.0003772500000000, 0.0001280000000000, -0.0003556800000000 ] - [ 0.0014112400000000, -0.0019998300000000, 0.0015821400000000 ] - [ 0.0004750500000000, -0.0008642400000000, -0.0006137000000000 ] - [ 0.0027876500000000, 0.0004421500000000, 0.0001546500000000 ] - [ 0.0005841900000000, -0.0001114200000000, -0.0002526900000000 ] - [ -0.0016417400000000, 0.0021356400000000, 0.0007912400000000 ] - [ -0.0006549000000000, 0.0011518900000000, -0.0004290100000000 ] - [ -0.0000944100000000, 0.0043930900000000, -0.0001050200000000 ] - [ -0.0003524600000000, 0.0002764400000000, -0.0002551000000000 ] - [ 0.0015466300000000, -0.0033858200000000, -0.0002793600000000 ] - [ 0.0001240300000000, -0.0000416400000000, -0.0003053000000000 ] - [ 0.0110347700000000, -0.0193087400000000, 0.0018713300000000 ] - [ 0.0004133200000000, 0.0000896500000000, -0.0000886700000000 ] - [ -0.0013410400000000, -0.0023192500000000, -0.0001939800000000 ] - [ -0.0004030900000000, -0.0003803100000000, -0.0002907000000000 ] - [ -0.0007831000000000, 0.0001776500000000, -0.0003685000000000 ] - [ -0.0004101900000000, 0.0001238400000000, -0.0003757200000000 ] - [ 0.0105990500000000, 0.2858230800000000, 0.0114303800000000 ] - [ -0.0004496500000000, 0.0008984700000000, -0.0000976300000000 ] - [ -0.1357053500000000, 0.1444806900000000, 0.0049955300000000 ] - [ -0.0006798400000000, 0.0004338200000000, -0.0000430600000000 ] - [ 0.0009836700000000, 0.0009950900000000, 0.0002284000000000 ] - [ 0.0006811300000000, 0.0005514100000000, 0.0005305000000000 ] - [ 0.0000988500000000, -0.0000093400000000, 0.0006406700000000 ] - [ 0.0000934600000000, -0.0000081500000000, 0.0001778300000000 ] - [ -0.0005290000000000, 0.0025123800000000, -0.0008185600000000 ] - [ -0.0005220200000000, 0.0014890300000000, 0.0005463000000000 ] - [ -0.0017758400000000, 0.0045491100000000, -0.0001693100000000 ] - [ -0.0002396500000000, -0.0004556500000000, -0.0000843400000000 ]- atom: 29 displacement: [ 0.0050000000040513, -0.0086602540355054, 0.0000000000000000 ] forces: - [ 0.0000843800000000, -0.0004009900000000, 0.0002429000000000 ] - [ 0.0006196500000000, -0.0021336900000000, -0.0010981100000000 ] - [ 0.0000887500000000, 0.0002610800000000, -0.0007340600000000 ] - [ 0.0045466600000000, -0.0018136700000000, 0.0047749500000000 ] - [ 0.0003598500000000, 0.0001794000000000, 0.0006448700000000 ] - [ 0.0042048900000000, 0.0005086400000000, -0.0035882500000000 ] - [ -0.0003534600000000, -0.0004242100000000, 0.0000721200000000 ] - [ -0.0012630200000000, -0.0012444800000000, -0.0006509500000000 ] - [ -0.0003204900000000, 0.0001810000000000, -0.0005816400000000 ] - [ -0.0034702900000000, -0.0007372300000000, 0.0031282400000000 ] - [ 0.0003228700000000, 0.0000914000000000, -0.0000034200000000 ] - [ 0.0007089400000000, 0.0003976900000000, 0.0000076800000000 ] - [ 0.0153480800000000, -0.0060064700000000, -0.0109506200000000 ] - [ 0.0000234700000000, 0.0004843500000000, 0.0009397900000000 ] - [ -0.0103656600000000, -0.0042501100000000, -0.0066950800000000 ] - [ -0.0004065800000000, 0.0002724500000000, 0.0007849500000000 ] - [ 0.0016626400000000, -0.0057174200000000, 0.0021583000000000 ] - [ 0.0001227500000000, -0.0006266900000000, -0.0003368900000000 ] - [ 0.0112525100000000, 0.0012806200000000, 0.0074250700000000 ] - [ 0.0004067800000000, 0.0002869900000000, -0.0009333400000000 ] - [ 0.0012670900000000, 0.0007052500000000, 0.0001034500000000 ] - [ 0.0005351400000000, 0.0001455900000000, -0.0000577200000000 ] - [ -0.0030993900000000, -0.0028739000000000, 0.0013362100000000 ] - [ -0.0005168400000000, -0.0006237500000000, -0.0001604000000000 ] - [ -0.0014234900000000, 0.0012641300000000, -0.0003897200000000 ] - [ -0.0009239900000000, 0.0006222200000000, -0.0003130300000000 ] - [ 0.0000810500000000, -0.0027849600000000, 0.0001450700000000 ] - [ -0.0000288600000000, -0.0005924100000000, 0.0001822100000000 ] - [ -0.1749471200000000, 0.5285337300000000, 0.0205098700000000 ] - [ 0.0000978000000000, 0.0008547500000000, 0.0004839500000000 ] - [ 0.0011427800000000, -0.0047726800000000, 0.0003515900000000 ] - [ -0.0001663200000000, -0.0006180100000000, 0.0003970200000000 ] - [ 0.0004556000000000, 0.0020668300000000, -0.0003776400000000 ] - [ 0.0003820700000000, 0.0012482100000000, -0.0003670900000000 ] - [ 0.0023181400000000, -0.0008931000000000, 0.0001901700000000 ] - [ 0.0000966200000000, 0.0001279500000000, 0.0001812100000000 ] - [ 0.0026144700000000, -0.0668350600000000, 0.0016788900000000 ] - [ -0.0003318000000000, -0.0002063400000000, 0.0004478600000000 ] - [ 0.0007744400000000, -0.0037988600000000, -0.0003888500000000 ] - [ 0.0004296400000000, -0.0016220000000000, 0.0000143000000000 ] - [ 0.0013034800000000, 0.0008498600000000, 0.0001193300000000 ] - [ 0.0003503300000000, 0.0002857900000000, 0.0001659900000000 ] - [ -0.0243556200000000, 0.0106855700000000, 0.0004338300000000 ] - [ -0.0005214300000000, 0.0006915200000000, 0.0004671100000000 ] - [ -0.0028327500000000, 0.0064889700000000, 0.0025764200000000 ] - [ -0.0012055400000000, 0.0028480900000000, -0.0014642700000000 ] - [ 0.0015542900000000, -0.0026561700000000, 0.0003913300000000 ] - [ 0.0001883700000000, -0.0000231700000000, 0.0003588700000000 ] - [ -0.0018907700000000, 0.0029936300000000, -0.0004621900000000 ] - [ -0.0013046300000000, 0.0013008100000000, -0.0005964100000000 ] - [ 0.0025544700000000, -0.0026435600000000, -0.0001336000000000 ] - [ 0.0014635900000000, -0.0015528000000000, -0.0002029700000000 ] - [ -0.0006891600000000, -0.0033771400000000, 0.0003627600000000 ] - [ 0.0002073600000000, -0.0005034800000000, 0.0003947600000000 ] - [ -0.0023932000000000, -0.0015758000000000, 0.0012414400000000 ] - [ -0.0007691800000000, -0.0006816200000000, -0.0013249300000000 ] - [ 0.0018505200000000, 0.0008959400000000, -0.0003521700000000 ] - [ 0.0012775500000000, 0.0004567600000000, -0.0004169700000000 ] - [ -0.0000245400000000, -0.0021704600000000, -0.0002100500000000 ] - [ -0.0000496600000000, -0.0013057200000000, -0.0001231000000000 ] - [ 0.0003952600000000, -0.0012864300000000, 0.0005101100000000 ] - [ 0.0002040800000000, -0.0007692900000000, 0.0002143200000000 ] - [ -0.0014254600000000, -0.0018002100000000, -0.0009086200000000 ] - [ -0.0005606500000000, -0.0009494400000000, 0.0011327000000000 ] - [ 0.0596587500000000, -0.0426824700000000, 0.0001861900000000 ] - [ 0.0002518000000000, -0.0007157500000000, -0.0000366300000000 ] - [ 0.0005349600000000, 0.0026972400000000, -0.0003118800000000 ] - [ 0.0001110900000000, 0.0005938500000000, -0.0002254400000000 ] - [ -0.0010869800000000, 0.0034997800000000, -0.0004356900000000 ] - [ -0.0001817000000000, 0.0004151500000000, -0.0003585400000000 ] - [ -0.0027453100000000, 0.0019797100000000, 0.0014979700000000 ] - [ -0.0014271800000000, 0.0008793600000000, -0.0005300200000000 ] - [ -0.0020060600000000, 0.0017879500000000, -0.0000843700000000 ] - [ 0.0000256800000000, 0.0000834000000000, -0.0002812600000000 ] - [ 0.0020896700000000, 0.0007562600000000, 0.0013953700000000 ] - [ 0.0007889600000000, 0.0000880500000000, -0.0002926000000000 ] - [ 0.0010513600000000, -0.0013949100000000, -0.0036371700000000 ] - [ 0.0003082100000000, -0.0008123700000000, 0.0015543300000000 ] - [ 0.0007616300000000, 0.0006903600000000, 0.0000848700000000 ] - [ 0.0004775000000000, 0.0004816800000000, 0.0002995600000000 ] - [ 0.0003619400000000, 0.0006464900000000, -0.0010372900000000 ] - [ -0.0000451800000000, 0.0000194200000000, 0.0007618600000000 ] - [ -0.0009695100000000, 0.0012096200000000, 0.0002937300000000 ] - [ -0.0005006700000000, 0.0008753300000000, 0.0004539000000000 ] - [ -0.0000589700000000, 0.0026938000000000, 0.0029554300000000 ] - [ 0.0000307400000000, 0.0007337000000000, -0.0011153400000000 ] - [ 0.0229374600000000, 0.0062000600000000, -0.0005682600000000 ] - [ 0.0004748000000000, 0.0001813900000000, -0.0000214300000000 ] - [ 0.0005812800000000, 0.0019839200000000, 0.0006656200000000 ] - [ 0.0003375900000000, 0.0008574000000000, 0.0001492600000000 ] - [ -0.0003076000000000, 0.0030236400000000, -0.0002654400000000 ] - [ -0.0000178000000000, 0.0001001900000000, -0.0003944700000000 ] - [ -0.0011317900000000, 0.0026248800000000, -0.0003761100000000 ] - [ -0.0000468200000000, 0.0003427200000000, -0.0003617700000000 ] - [ 0.0015072700000000, -0.0042830200000000, -0.0003299400000000 ] - [ 0.0007912800000000, -0.0017751300000000, 0.0003294900000000 ] - [ 0.0019884600000000, -0.0031591800000000, 0.0015159100000000 ] - [ 0.0011260300000000, -0.0014224900000000, -0.0003336100000000 ] - [ -0.0013055300000000, -0.0005571200000000, -0.0004073300000000 ] - [ -0.0000772200000000, -0.0004421500000000, -0.0003596600000000 ] - [ -0.0019441900000000, 0.0026305400000000, 0.0004350900000000 ] - [ -0.0011232700000000, 0.0012874100000000, 0.0002920000000000 ] - [ -0.0006474600000000, 0.0016177800000000, -0.0003472600000000 ] - [ 0.0001545400000000, 0.0003986000000000, -0.0003933500000000 ] - [ -0.0020467100000000, 0.0022911600000000, -0.0011153200000000 ] - [ -0.0011114700000000, 0.0011575200000000, 0.0010748800000000 ] - [ -0.0022239800000000, -0.0008577100000000, -0.0006207500000000 ] - [ -0.0000138100000000, -0.0002957900000000, -0.0002115700000000 ] - [ 0.0019994000000000, -0.0014369000000000, -0.0007250900000000 ] - [ 0.0010141800000000, -0.0004618800000000, 0.0005020500000000 ] - [ -0.0005304000000000, -0.0046563800000000, -0.0003582900000000 ] - [ -0.0002846300000000, -0.0005523000000000, -0.0002094400000000 ] - [ -0.0015622300000000, 0.0040550900000000, -0.0002925200000000 ] - [ -0.0001341500000000, 0.0006888800000000, -0.0002680100000000 ] - [ -0.0099654700000000, 0.0196908400000000, -0.0020396100000000 ] - [ 0.0006462200000000, 0.0001650200000000, -0.0000628000000000 ] - [ 0.0007978000000000, 0.0019674500000000, -0.0003763700000000 ] - [ -0.0001481300000000, 0.0000286300000000, -0.0002812000000000 ] - [ 0.0000567700000000, 0.0000229200000000, -0.0003817900000000 ] - [ -0.0003165100000000, 0.0000714300000000, -0.0003752300000000 ] - [ -0.0158484800000000, -0.2995911800000000, -0.0125615700000000 ] - [ -0.0002966800000000, -0.0000988000000000, -0.0000531800000000 ] - [ 0.1232119600000000, -0.1333619600000000, -0.0046866500000000 ] - [ -0.0001042700000000, -0.0003857400000000, -0.0000272000000000 ] - [ -0.0007744800000000, -0.0011373900000000, 0.0005281900000000 ] - [ -0.0004716500000000, -0.0006908000000000, 0.0002252700000000 ] - [ -0.0000921600000000, 0.0002607300000000, 0.0001154500000000 ] - [ -0.0000820400000000, 0.0002584000000000, 0.0005776900000000 ] - [ 0.0002301000000000, -0.0014779500000000, 0.0009644400000000 ] - [ 0.0002169100000000, -0.0004486800000000, -0.0003945000000000 ] - [ 0.0015238800000000, -0.0054890200000000, 0.0000069800000000 ] - [ -0.0000742100000000, -0.0005885900000000, -0.0000671600000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000383400000000, 0.0000649800000000, 0.0001712200000000 ] - [ -0.0001080900000000, 0.0001806600000000, -0.0001178000000000 ] - [ -0.0002593500000000, 0.0003736100000000, 0.0004159300000000 ] - [ 0.0022582500000000, -0.0020890900000000, 0.0010839100000000 ] - [ 0.0003766900000000, -0.0000995000000000, 0.0003046700000000 ] - [ -0.0005818600000000, 0.0003747000000000, -0.0000455100000000 ] - [ -0.0001216800000000, -0.0002187600000000, 0.0001980000000000 ] - [ 0.0000274700000000, 0.0000627500000000, -0.0000925700000000 ] - [ 0.0000422200000000, 0.0001370100000000, 0.0003410300000000 ] - [ -0.0011023600000000, -0.0017772500000000, 0.0004092800000000 ] - [ 0.0000246900000000, -0.0000362700000000, 0.0001968700000000 ] - [ 0.0002116800000000, 0.0000071600000000, -0.0001473200000000 ] - [ -0.0060065700000000, 0.0048461400000000, 0.0010597600000000 ] - [ 0.0000457200000000, -0.0000796600000000, 0.0006291600000000 ] - [ 0.0015278900000000, 0.0025195400000000, 0.0001971700000000 ] - [ -0.0002230900000000, -0.0004645200000000, 0.0004041700000000 ] - [ -0.0000579400000000, 0.0002767800000000, -0.0004906300000000 ] - [ -0.0001629600000000, 0.0002419000000000, 0.0003173600000000 ] - [ 0.0009396500000000, -0.0010796200000000, -0.0009863400000000 ] - [ -0.0000640800000000, 0.0000955900000000, 0.0004903200000000 ] - [ 0.0001582400000000, -0.0000577800000000, -0.0005556600000000 ] - [ 0.0003685200000000, 0.0000600700000000, 0.0003319500000000 ] - [ -0.0001905900000000, -0.0002602000000000, -0.0005905700000000 ] - [ -0.0000002500000000, -0.0000299400000000, 0.0003417300000000 ] - [ -0.0003820700000000, 0.0003125600000000, -0.0004082700000000 ] - [ -0.0002152700000000, 0.0001153000000000, -0.0003680500000000 ] - [ -0.0000009900000000, -0.0002262700000000, 0.0001239000000000 ] - [ -0.0000181400000000, -0.0002436300000000, 0.0002244300000000 ] - [ -0.0005534900000000, -0.0236125500000000, -0.1549454600000000 ] - [ 0.0004152000000000, 0.0000830400000000, 0.0007987500000000 ] - [ -0.0004627800000000, 0.0000033600000000, 0.0003639600000000 ] - [ -0.0003316800000000, -0.0001643100000000, 0.0004457300000000 ] - [ 0.0000616200000000, -0.0004704500000000, -0.0004063400000000 ] - [ 0.0000353500000000, -0.0003900100000000, -0.0003605500000000 ] - [ -0.0001585400000000, 0.0001812900000000, 0.0001079600000000 ] - [ -0.0002028700000000, 0.0001702300000000, 0.0002333100000000 ] - [ -0.0000794500000000, 0.0009281900000000, 0.0039640200000000 ] - [ -0.0001105100000000, -0.0004276100000000, 0.0006825000000000 ] - [ -0.0000426200000000, 0.0006319000000000, -0.0001869900000000 ] - [ -0.0000943200000000, 0.0000375700000000, -0.0001795700000000 ] - [ 0.0003087500000000, 0.0001270200000000, 0.0001779900000000 ] - [ 0.0002642100000000, 0.0000938300000000, 0.0002314800000000 ] - [ 0.0002044200000000, 0.0013570600000000, 0.0039640000000000 ] - [ -0.0002984300000000, 0.0002861100000000, 0.0006824600000000 ] - [ 0.0028721300000000, -0.0014673500000000, 0.0024127100000000 ] - [ -0.0011180500000000, 0.0006528400000000, 0.0006033500000000 ] - [ -0.0000158900000000, 0.0004427800000000, 0.0003396600000000 ] - [ 0.0000052500000000, 0.0003581700000000, 0.0004392500000000 ] - [ -0.0041687000000000, -0.0025336100000000, -0.0001059700000000 ] - [ 0.0010105400000000, 0.0003134500000000, 0.0000461000000000 ] - [ 0.0002760500000000, -0.0000191300000000, -0.0001915800000000 ] - [ 0.0001673200000000, -0.0001056300000000, -0.0001563000000000 ] - [ 0.0004152700000000, 0.0000159800000000, 0.0003367200000000 ] - [ 0.0002924300000000, -0.0001690700000000, 0.0004441600000000 ] - [ 0.0002340700000000, -0.0019563100000000, -0.0004490500000000 ] - [ 0.0004681400000000, 0.0008588600000000, -0.0001756800000000 ] - [ 0.0001556500000000, 0.0001720700000000, -0.0004290200000000 ] - [ 0.0004827200000000, 0.0002066400000000, -0.0003726100000000 ] - [ -0.0002658100000000, -0.0000926200000000, -0.0001876200000000 ] - [ -0.0001836400000000, -0.0001570000000000, -0.0001562800000000 ] - [ -0.0002047400000000, -0.0001309200000000, 0.0004232200000000 ] - [ -0.0001242700000000, 0.0000016900000000, 0.0003686800000000 ] - [ 0.0002726300000000, 0.0003039100000000, 0.0004240500000000 ] - [ 0.0003207100000000, 0.0001593300000000, 0.0002275100000000 ] - [ 0.0026892100000000, 0.0011411900000000, 0.0477857000000000 ] - [ 0.0001752200000000, -0.0003354400000000, -0.0003137000000000 ] - [ 0.0000160600000000, 0.0002902400000000, -0.0000140900000000 ] - [ 0.0000341000000000, 0.0003225400000000, -0.0003962100000000 ] - [ -0.0000653100000000, -0.0000882200000000, -0.0003134400000000 ] - [ -0.0001063200000000, 0.0000557300000000, -0.0004381300000000 ] - [ -0.0000863200000000, 0.0001058400000000, 0.0002640300000000 ] - [ -0.0004436300000000, 0.0001950900000000, 0.0001188600000000 ] - [ 0.0003169300000000, -0.0001982800000000, -0.0000465000000000 ] - [ 0.0002883900000000, -0.0001770100000000, -0.0005314400000000 ] - [ 0.0001084300000000, -0.0003144800000000, 0.0004507500000000 ] - [ -0.0001099300000000, -0.0003648600000000, 0.0003020100000000 ] - [ -0.0006340100000000, 0.0014303700000000, -0.0000354400000000 ] - [ -0.0003025000000000, -0.0004568100000000, -0.0004081600000000 ] - [ 0.0003443800000000, 0.0002432900000000, 0.0002784000000000 ] - [ 0.0002287000000000, 0.0001766200000000, 0.0001688100000000 ] - [ -0.0004428100000000, 0.0006046400000000, 0.0002470500000000 ] - [ -0.0003318400000000, -0.0009370400000000, -0.0000855300000000 ] - [ 0.0001042300000000, 0.0003069300000000, 0.0003981600000000 ] - [ 0.0001229800000000, 0.0003795200000000, 0.0003536000000000 ] - [ 0.0000035900000000, -0.0008472400000000, 0.0003095700000000 ] - [ 0.0001233000000000, -0.0000741200000000, 0.0000897700000000 ] - [ -0.0000755200000000, -0.0004067700000000, 0.0006586800000000 ] - [ 0.0002102200000000, 0.0003343900000000, -0.0002080300000000 ] - [ 0.0001996800000000, -0.0004253100000000, 0.0003866600000000 ] - [ 0.0003281200000000, -0.0001968700000000, 0.0003723800000000 ] - [ 0.0000410100000000, -0.0004088200000000, -0.0004394600000000 ] - [ 0.0000150000000000, -0.0001349300000000, -0.0004649700000000 ] - [ 0.0000897000000000, -0.0000695000000000, -0.0002948700000000 ] - [ 0.0001089200000000, 0.0000607700000000, -0.0004324300000000 ] - [ -0.0009892500000000, -0.0003667500000000, -0.0009990500000000 ] - [ 0.0011120700000000, 0.0001374300000000, -0.0006377200000000 ] - [ 0.0010790500000000, 0.0009298600000000, -0.0025435900000000 ] - [ -0.0000488600000000, -0.0006886900000000, -0.0012198000000000 ] - [ 0.0000341400000000, -0.0003667300000000, -0.0003288600000000 ] - [ 0.0000732900000000, -0.0003647700000000, -0.0004354000000000 ] - [ -0.0002795600000000, -0.0002675400000000, 0.0003789800000000 ] - [ -0.0003651400000000, -0.0000403900000000, 0.0003461900000000 ] - [ 0.0002433300000000, 0.0002710700000000, -0.0002848600000000 ] - [ 0.0002632000000000, 0.0002566100000000, -0.0004442500000000 ] - [ -0.0003833900000000, 0.0001431300000000, 0.0003259200000000 ] - [ -0.0002437900000000, 0.0000906100000000, 0.0001530300000000 ] - [ 0.0002436600000000, -0.0001223800000000, 0.0001100700000000 ] - [ 0.0002653400000000, -0.0001921500000000, -0.0004674100000000 ] - [ 0.0004438100000000, 0.0015836800000000, 0.0000152100000000 ] - [ 0.0000751600000000, -0.0001104200000000, -0.0002503000000000 ] - [ -0.0004280000000000, -0.0000711700000000, 0.0002135500000000 ] - [ -0.0003078900000000, -0.0001169700000000, -0.0004895800000000 ] - [ 0.0000937400000000, 0.0001602300000000, 0.0001536200000000 ] - [ 0.0000104500000000, 0.0003276100000000, -0.0005365700000000 ] - [ 0.0010806200000000, -0.0009869000000000, -0.0029676800000000 ] - [ 0.0005276200000000, 0.0001352700000000, -0.0003310700000000 ] - [ -0.0003406800000000, -0.0003111300000000, -0.0000444300000000 ] - [ -0.0002873800000000, -0.0001878300000000, -0.0005085300000000 ] - [ -0.0004025600000000, 0.0000693800000000, -0.0003343500000000 ] - [ -0.0003779500000000, 0.0000936800000000, -0.0004409500000000 ] - [ 0.0022557000000000, 0.0195666700000000, 0.0561404600000000 ] - [ -0.0003620600000000, 0.0004205100000000, -0.0004666800000000 ] - [ -0.0017433900000000, 0.0016954700000000, 0.0471546500000000 ] - [ -0.0003932600000000, 0.0000413900000000, -0.0003031600000000 ] - [ 0.0001664700000000, -0.0000355800000000, 0.0004057800000000 ] - [ 0.0000429800000000, -0.0000840000000000, 0.0003488100000000 ] - [ 0.0000842400000000, 0.0000853400000000, 0.0003909200000000 ] - [ -0.0000933600000000, 0.0001441300000000, 0.0003508200000000 ] - [ 0.0016400000000000, 0.0006020600000000, 0.0004189500000000 ] - [ -0.0008660600000000, 0.0005291400000000, -0.0002127100000000 ] - [ -0.0009139800000000, -0.0013558800000000, -0.0029628300000000 ] - [ -0.0001523400000000, -0.0005204700000000, -0.0003118900000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000968900000000, 0.0001691700000000, -0.0001694800000000 ] - [ -0.0000252500000000, 0.0000485800000000, 0.0001116100000000 ] - [ 0.0001134800000000, -0.0001188900000000, -0.0004192800000000 ] - [ -0.0023746300000000, 0.0023293700000000, -0.0010803100000000 ] - [ -0.0000799500000000, 0.0001018100000000, -0.0003054400000000 ] - [ 0.0008839900000000, -0.0003723300000000, 0.0000325500000000 ] - [ -0.0000270100000000, -0.0000387500000000, -0.0001967600000000 ] - [ -0.0001789200000000, -0.0003257300000000, 0.0000840700000000 ] - [ -0.0001808600000000, -0.0003781200000000, -0.0003434800000000 ] - [ 0.0009474900000000, 0.0015222100000000, -0.0004077100000000 ] - [ 0.0002471900000000, 0.0000370600000000, -0.0001962300000000 ] - [ 0.0000546500000000, -0.0000069400000000, 0.0001394900000000 ] - [ 0.0058664800000000, -0.0045099200000000, -0.0010284400000000 ] - [ -0.0002634400000000, 0.0004587900000000, -0.0006305100000000 ] - [ -0.0017520900000000, -0.0028946400000000, -0.0001772300000000 ] - [ 0.0000203600000000, 0.0001136300000000, -0.0004067600000000 ] - [ -0.0001390000000000, 0.0000606300000000, 0.0005038400000000 ] - [ -0.0000360100000000, 0.0001047500000000, -0.0003209800000000 ] - [ -0.0004906600000000, 0.0010881300000000, 0.0010260300000000 ] - [ 0.0005020600000000, -0.0000943500000000, -0.0004945300000000 ] - [ 0.0002342700000000, 0.0000619300000000, 0.0005742400000000 ] - [ 0.0000335300000000, -0.0000590300000000, -0.0003356600000000 ] - [ -0.0000336700000000, -0.0001331700000000, 0.0006109900000000 ] - [ -0.0002206200000000, -0.0003515200000000, -0.0003457100000000 ] - [ -0.0002372800000000, 0.0000192800000000, -0.0003662500000000 ] - [ -0.0004045200000000, 0.0002173900000000, -0.0004090300000000 ] - [ -0.0000715100000000, -0.0003203100000000, 0.0002254100000000 ] - [ -0.0000536700000000, -0.0002997800000000, 0.0001243000000000 ] - [ 0.0010402200000000, 0.0227078000000000, 0.1554947700000000 ] - [ 0.0004097800000000, 0.0001023000000000, 0.0001498400000000 ] - [ -0.0001766000000000, -0.0003502600000000, 0.0004139000000000 ] - [ -0.0003023500000000, -0.0001821000000000, 0.0003314700000000 ] - [ -0.0000429300000000, -0.0002474900000000, -0.0003690200000000 ] - [ -0.0000155900000000, -0.0003278200000000, -0.0004168600000000 ] - [ -0.0002725200000000, 0.0001596900000000, 0.0002410500000000 ] - [ -0.0002259800000000, 0.0001680700000000, 0.0001150900000000 ] - [ -0.0001579200000000, -0.0018120300000000, -0.0030105700000000 ] - [ -0.0001247500000000, -0.0003701500000000, 0.0002668600000000 ] - [ -0.0000403400000000, -0.0000970500000000, -0.0001597400000000 ] - [ 0.0000104800000000, 0.0005025200000000, -0.0001706300000000 ] - [ 0.0002084200000000, 0.0000776200000000, 0.0001711300000000 ] - [ 0.0002462900000000, 0.0001044000000000, 0.0001168300000000 ] - [ -0.0007908000000000, -0.0008364600000000, -0.0030104500000000 ] - [ -0.0002609800000000, 0.0003251400000000, 0.0002668700000000 ] - [ -0.0032000500000000, 0.0023290800000000, -0.0033853800000000 ] - [ 0.0008514600000000, 0.0001640600000000, -0.0015468900000000 ] - [ 0.0000331200000000, 0.0002773000000000, 0.0004376100000000 ] - [ 0.0000111000000000, 0.0003630600000000, 0.0003374000000000 ] - [ 0.0036819900000000, 0.0019926200000000, -0.0008391000000000 ] - [ -0.0015698000000000, -0.0009040200000000, -0.0009959300000000 ] - [ 0.0002322200000000, -0.0001863500000000, -0.0001559300000000 ] - [ 0.0003408100000000, -0.0000991700000000, -0.0001937600000000 ] - [ 0.0001857900000000, -0.0003862800000000, 0.0004405300000000 ] - [ 0.0003064100000000, -0.0002025500000000, 0.0003325000000000 ] - [ 0.0005767300000000, 0.0018092100000000, -0.0004941800000000 ] - [ 0.0003409300000000, -0.0010310900000000, -0.0007754800000000 ] - [ 0.0004604500000000, 0.0002029200000000, -0.0003461000000000 ] - [ 0.0001351900000000, 0.0001688600000000, -0.0004054900000000 ] - [ -0.0001700800000000, -0.0002459500000000, -0.0001597300000000 ] - [ -0.0002509500000000, -0.0001787000000000, -0.0001940000000000 ] - [ -0.0000172000000000, 0.0000145300000000, 0.0003301100000000 ] - [ -0.0001003100000000, -0.0001195600000000, 0.0003884200000000 ] - [ 0.0002948400000000, 0.0000102800000000, 0.0001431200000000 ] - [ 0.0002455400000000, 0.0001552300000000, 0.0003516100000000 ] - [ -0.0031932600000000, -0.0021928400000000, -0.0478939600000000 ] - [ 0.0001701600000000, -0.0003587500000000, 0.0002456800000000 ] - [ 0.0000652800000000, 0.0004154500000000, -0.0004494400000000 ] - [ 0.0000476900000000, 0.0003773400000000, -0.0000657100000000 ] - [ -0.0001597900000000, 0.0002046000000000, -0.0004428600000000 ] - [ -0.0001179100000000, 0.0000603200000000, -0.0003172100000000 ] - [ -0.0004877200000000, 0.0002281900000000, 0.0003045700000000 ] - [ -0.0001323500000000, 0.0001377900000000, 0.0004585800000000 ] - [ 0.0002558500000000, -0.0001324300000000, -0.0005270900000000 ] - [ 0.0002872500000000, -0.0001558600000000, -0.0000393800000000 ] - [ -0.0001338600000000, -0.0003374600000000, 0.0001163700000000 ] - [ 0.0000837300000000, -0.0002892600000000, 0.0002746100000000 ] - [ -0.0001327900000000, -0.0015063100000000, 0.0000958900000000 ] - [ -0.0004674000000000, 0.0004032200000000, 0.0004770200000000 ] - [ 0.0002234200000000, 0.0001760500000000, 0.0001772800000000 ] - [ 0.0003367400000000, 0.0002429500000000, 0.0002967600000000 ] - [ -0.0003040200000000, -0.0014143400000000, -0.0001068700000000 ] - [ -0.0004161000000000, 0.0001419400000000, 0.0002393200000000 ] - [ 0.0000846200000000, 0.0004161200000000, 0.0003486300000000 ] - [ 0.0000676300000000, 0.0003447000000000, 0.0003959200000000 ] - [ 0.0000770700000000, 0.0001738700000000, 0.0001489100000000 ] - [ -0.0000417600000000, -0.0006080800000000, 0.0003741800000000 ] - [ 0.0005086800000000, 0.0011527800000000, -0.0007287500000000 ] - [ 0.0002021100000000, 0.0003206600000000, 0.0001399800000000 ] - [ 0.0003327100000000, -0.0000989500000000, 0.0003628600000000 ] - [ 0.0002045600000000, -0.0003299000000000, 0.0003797400000000 ] - [ -0.0000305000000000, 0.0001498200000000, -0.0003170000000000 ] - [ -0.0000038800000000, -0.0001175700000000, -0.0002900700000000 ] - [ 0.0001174000000000, 0.0002077900000000, -0.0004615400000000 ] - [ 0.0000993900000000, 0.0000785100000000, -0.0003227500000000 ] - [ 0.0020788800000000, 0.0001138600000000, 0.0011585200000000 ] - [ -0.0000431600000000, -0.0003878000000000, 0.0007836800000000 ] - [ -0.0006577800000000, -0.0016248200000000, 0.0026727200000000 ] - [ 0.0004778800000000, 0.0000258000000000, 0.0012713600000000 ] - [ 0.0001395300000000, -0.0003581400000000, -0.0004191300000000 ] - [ 0.0000989400000000, -0.0003600000000000, -0.0003125100000000 ] - [ -0.0004385200000000, 0.0000605800000000, 0.0003690000000000 ] - [ -0.0003500300000000, -0.0001699100000000, 0.0004042800000000 ] - [ 0.0002896200000000, 0.0002536300000000, -0.0004635400000000 ] - [ 0.0002675500000000, 0.0002705200000000, -0.0003040800000000 ] - [ -0.0002520500000000, 0.0001497500000000, 0.0001311100000000 ] - [ -0.0003920800000000, 0.0002024600000000, 0.0003143500000000 ] - [ 0.0003334800000000, -0.0002895700000000, -0.0005769100000000 ] - [ 0.0003019000000000, -0.0002130300000000, 0.0000050700000000 ] - [ -0.0000855400000000, -0.0009265000000000, 0.0000466100000000 ] - [ 0.0002844700000000, 0.0007890800000000, 0.0003202100000000 ] - [ -0.0002175400000000, -0.0002108200000000, -0.0006807100000000 ] - [ -0.0003248700000000, -0.0001575700000000, 0.0000268000000000 ] - [ -0.0000996900000000, 0.0004934000000000, -0.0007276600000000 ] - [ -0.0000197500000000, 0.0003230600000000, -0.0000349600000000 ] - [ -0.0000632800000000, 0.0013520000000000, 0.0028028000000000 ] - [ 0.0005317200000000, 0.0001173600000000, 0.0001810100000000 ] - [ -0.0002130400000000, -0.0000352900000000, -0.0005281600000000 ] - [ -0.0002655500000000, -0.0001613100000000, -0.0000617400000000 ] - [ -0.0003212700000000, 0.0001242800000000, -0.0004166000000000 ] - [ -0.0003457300000000, 0.0001018300000000, -0.0003092700000000 ] - [ -0.0026687000000000, -0.0165271300000000, -0.0558798700000000 ] - [ -0.0003850700000000, 0.0003773900000000, 0.0003182700000000 ] - [ 0.0017257000000000, -0.0024531300000000, -0.0472656500000000 ] - [ -0.0003895700000000, 0.0000035600000000, 0.0002353600000000 ] - [ 0.0000444700000000, -0.0001027500000000, 0.0003481300000000 ] - [ 0.0001672300000000, -0.0000532400000000, 0.0004082800000000 ] - [ -0.0000686900000000, 0.0001646700000000, 0.0003628400000000 ] - [ 0.0001083100000000, 0.0001049600000000, 0.0004060000000000 ] - [ -0.0019883000000000, 0.0004393700000000, -0.0002818600000000 ] - [ 0.0005492000000000, 0.0005130500000000, 0.0003647700000000 ] - [ 0.0006778800000000, 0.0003971100000000, 0.0027973900000000 ] - [ -0.0001596200000000, -0.0005239300000000, 0.0001617500000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002374200000000, -0.0006985300000000, -0.0007680000000000 ] - [ -0.0000418100000000, 0.0000289400000000, 0.0001747400000000 ] - [ -0.0014583300000000, 0.0001443700000000, -0.0007674900000000 ] - [ -0.0003300600000000, 0.0001231100000000, 0.0001626600000000 ] - [ 0.0009344500000000, -0.0009387000000000, -0.0000376900000000 ] - [ 0.0002498300000000, -0.0001955000000000, -0.0000137900000000 ] - [ 0.0003153000000000, 0.0007023500000000, 0.0006141400000000 ] - [ 0.0000274000000000, -0.0000087500000000, -0.0001474800000000 ] - [ -0.0019286500000000, 0.0000576600000000, 0.0022018300000000 ] - [ -0.0001609900000000, -0.0001110200000000, -0.0004175800000000 ] - [ -0.0003556700000000, 0.0011731000000000, -0.0011384800000000 ] - [ 0.0001178500000000, 0.0001508800000000, 0.0002267400000000 ] - [ -0.0034829600000000, 0.0003986200000000, 0.0013017700000000 ] - [ -0.0004736400000000, 0.0001903200000000, -0.0001764400000000 ] - [ -0.0057335700000000, 0.0006189100000000, -0.0042828800000000 ] - [ -0.0001698800000000, -0.0001887900000000, 0.0005803300000000 ] - [ -0.0006359400000000, -0.0020837200000000, 0.0015640000000000 ] - [ -0.0000488900000000, 0.0000763900000000, -0.0002080500000000 ] - [ 0.0024655000000000, -0.0021141100000000, 0.0003419600000000 ] - [ 0.0003367900000000, -0.0002640400000000, -0.0000062300000000 ] - [ -0.0014028600000000, 0.0031783200000000, 0.0022608800000000 ] - [ 0.0002090100000000, 0.0001695800000000, -0.0002820600000000 ] - [ 0.0008380600000000, 0.0022012900000000, -0.0012826600000000 ] - [ 0.0000409600000000, 0.0000002200000000, 0.0001939000000000 ] - [ 0.0681903900000000, 0.0294172900000000, -0.0006374300000000 ] - [ 0.0000092200000000, 0.0001160500000000, -0.0003760400000000 ] - [ 0.0025462200000000, -0.0002639700000000, 0.0006957700000000 ] - [ 0.0010489300000000, -0.0002595600000000, 0.0000513800000000 ] - [ -0.0001032900000000, -0.0007932000000000, 0.0003809200000000 ] - [ 0.0000608700000000, -0.0004782400000000, 0.0004634400000000 ] - [ -0.0016916700000000, -0.0002159000000000, 0.0004429100000000 ] - [ -0.0011241900000000, -0.0001666600000000, 0.0003699500000000 ] - [ 0.1412956400000000, -0.0638730200000000, -0.0013211800000000 ] - [ 0.0002953400000000, -0.0004782700000000, -0.0003866600000000 ] - [ 0.0007554300000000, 0.0000357000000000, 0.0015917900000000 ] - [ 0.0003237700000000, 0.0001358600000000, -0.0002244800000000 ] - [ 0.0003646700000000, -0.0010340100000000, 0.0004737500000000 ] - [ 0.0001324100000000, -0.0007661300000000, 0.0004934500000000 ] - [ -0.0015291300000000, 0.0012214000000000, -0.0001661100000000 ] - [ -0.0002095500000000, 0.0003661100000000, -0.0001677100000000 ] - [ 0.0041196600000000, -0.0004404900000000, -0.0011240000000000 ] - [ 0.0015582100000000, -0.0001590200000000, 0.0004760400000000 ] - [ -0.0005495400000000, 0.0003744500000000, 0.0004715800000000 ] - [ -0.0005077200000000, 0.0003489900000000, 0.0005088400000000 ] - [ -0.0030081600000000, -0.0020703200000000, -0.0002153800000000 ] - [ -0.0003328700000000, 0.0002601500000000, -0.0004635700000000 ] - [ -0.0004943700000000, 0.0009892800000000, 0.0004334400000000 ] - [ -0.0002302700000000, 0.0006263500000000, 0.0003482300000000 ] - [ -0.0029288300000000, 0.0000029100000000, -0.0006025400000000 ] - [ -0.0005177600000000, -0.0002487200000000, -0.0004814600000000 ] - [ 0.0000668000000000, 0.0003496900000000, -0.0001649400000000 ] - [ 0.0002361300000000, -0.0000652300000000, -0.0001790700000000 ] - [ -0.0010280800000000, 0.0008297100000000, 0.0003022200000000 ] - [ -0.0003793600000000, 0.0004370400000000, 0.0004618600000000 ] - [ -0.0001704300000000, -0.0008959000000000, -0.0005228500000000 ] - [ 0.0003618300000000, -0.0001491200000000, -0.0004813300000000 ] - [ -0.0079853200000000, -0.0133391700000000, 0.0003113800000000 ] - [ 0.0004702600000000, 0.0001059600000000, -0.0003950500000000 ] - [ -0.0009516900000000, 0.0014075000000000, -0.0001741800000000 ] - [ -0.0002480900000000, 0.0000353600000000, -0.0001678000000000 ] - [ -0.2600685000000000, 0.0696151700000000, 0.0018161900000000 ] - [ -0.0003051900000000, 0.0000425100000000, 0.0003704100000000 ] - [ -0.0079518100000000, -0.0164958100000000, -0.0008257100000000 ] - [ 0.0001556100000000, 0.0002130400000000, 0.0002860900000000 ] - [ 0.0006829700000000, -0.0001428900000000, -0.0001827100000000 ] - [ 0.0004940000000000, -0.0002124600000000, 0.0000915100000000 ] - [ -0.0010103100000000, 0.0005144600000000, -0.0005109000000000 ] - [ -0.0004073600000000, 0.0003936700000000, -0.0001671700000000 ] - [ 0.0002580700000000, -0.0001251400000000, -0.0004647300000000 ] - [ 0.0001071100000000, -0.0000329200000000, -0.0003177300000000 ] - [ 0.0064773000000000, 0.0044965000000000, -0.0004404100000000 ] - [ -0.0003400600000000, 0.0001634300000000, 0.0002745200000000 ] - [ 0.0000513500000000, -0.0006723100000000, -0.0007131100000000 ] - [ 0.0001609300000000, -0.0003397600000000, -0.0000916200000000 ] - [ -0.0033046700000000, -0.0363762900000000, 0.0020094100000000 ] - [ -0.0002067000000000, -0.0003187100000000, 0.0002914300000000 ] - [ 0.0003404100000000, 0.0017709400000000, 0.0000204600000000 ] - [ -0.0003293800000000, 0.0000782800000000, 0.0000359400000000 ] - [ 0.0008730100000000, -0.0010419700000000, 0.0002747200000000 ] - [ 0.0003204000000000, 0.0000556100000000, 0.0002194300000000 ] - [ -0.0010035400000000, 0.0006052800000000, 0.0000790200000000 ] - [ -0.0004598300000000, -0.0003476000000000, 0.0000732100000000 ] - [ 0.0007398400000000, -0.0004747400000000, 0.0003523500000000 ] - [ 0.0001406600000000, 0.0002904000000000, 0.0003747600000000 ] - [ 0.0018400400000000, -0.0008493900000000, 0.0001042700000000 ] - [ 0.0002549800000000, -0.0003696000000000, 0.0002296600000000 ] - [ 0.0001056900000000, 0.0002289800000000, 0.0001121900000000 ] - [ 0.0001958500000000, 0.0002759400000000, -0.0001361300000000 ] - [ 0.0011470100000000, -0.0013083800000000, 0.0003896600000000 ] - [ 0.0003358800000000, -0.0003776500000000, 0.0003690000000000 ] - [ 0.0012179300000000, -0.0004767100000000, -0.0001416900000000 ] - [ 0.0006350100000000, -0.0003468700000000, -0.0005709600000000 ] - [ 0.0007556300000000, -0.0008332500000000, -0.0004714600000000 ] - [ 0.0004204100000000, -0.0004164200000000, -0.0002893600000000 ] - [ 0.0050539000000000, 0.0041937900000000, 0.0001640700000000 ] - [ 0.0006235000000000, 0.0000687100000000, 0.0000824400000000 ] - [ 0.0030085700000000, 0.0001609900000000, 0.0000227300000000 ] - [ 0.0004045500000000, -0.0003094400000000, 0.0000252800000000 ] - [ -0.0020485900000000, 0.0000852300000000, -0.0012160000000000 ] - [ -0.0007607400000000, -0.0001854900000000, -0.0001173400000000 ] - [ 0.0006816600000000, -0.0007200000000000, 0.0003571500000000 ] - [ -0.0002563200000000, -0.0001736500000000, 0.0003723100000000 ] - [ -0.0008582700000000, 0.0008574100000000, -0.0012736200000000 ] - [ -0.0002553500000000, 0.0004801700000000, -0.0000218300000000 ] - [ -0.0001608300000000, 0.0002003900000000, 0.0002492100000000 ] - [ -0.0002892700000000, 0.0002048200000000, 0.0002349400000000 ] - [ 0.0002618000000000, -0.0001226600000000, -0.0015141200000000 ] - [ 0.0001476800000000, -0.0001079200000000, 0.0003002600000000 ] - [ 0.0008464900000000, -0.0001437000000000, 0.0000414300000000 ] - [ 0.0002331700000000, 0.0002931800000000, 0.0000420600000000 ] - [ -0.0016755800000000, 0.0007143200000000, 0.0020801500000000 ] - [ -0.0009218400000000, 0.0001261000000000, -0.0008529500000000 ] - [ 0.0007573000000000, 0.0006345200000000, -0.0007132300000000 ] - [ 0.0003797100000000, 0.0004835300000000, -0.0000258500000000 ] - [ 0.0001222900000000, 0.0006649200000000, -0.0004458000000000 ] - [ 0.0003484400000000, 0.0004248500000000, 0.0001232600000000 ] - [ 0.0004370600000000, -0.0012098400000000, 0.0005618100000000 ] - [ 0.0000422900000000, -0.0006557600000000, -0.0008005800000000 ] - [ -0.0022023400000000, -0.0002910700000000, 0.0005893800000000 ] - [ -0.0010753800000000, 0.0000041200000000, -0.0007323700000000 ] - [ 0.0008673000000000, 0.0012660500000000, 0.0004807000000000 ] - [ 0.0002285700000000, 0.0008828400000000, -0.0004592500000000 ] - [ -0.0004807300000000, 0.0006131400000000, 0.0000419800000000 ] - [ -0.0004250500000000, 0.0003551300000000, -0.0000890700000000 ] - [ 0.0511854000000000, -0.0107424300000000, -0.0006376300000000 ] - [ -0.0000432000000000, -0.0000494400000000, 0.0003805300000000 ] - [ 0.0135981700000000, 0.0327180700000000, -0.0001916900000000 ] - [ -0.0002299600000000, 0.0001560900000000, 0.0003740700000000 ] - [ 0.0024361300000000, -0.0005388200000000, 0.0000898700000000 ] - [ 0.0000110400000000, 0.0004729000000000, 0.0000651300000000 ] - [ 0.0005740600000000, -0.0011908400000000, -0.0001970000000000 ] - [ 0.0001916800000000, -0.0007792800000000, 0.0000397000000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000967900000000, 0.0009287100000000, 0.0007663100000000 ] - [ -0.0000943600000000, 0.0002030300000000, -0.0001737500000000 ] - [ 0.0013123500000000, 0.0001190200000000, 0.0007725700000000 ] - [ 0.0001790800000000, 0.0001380600000000, -0.0001635500000000 ] - [ -0.0006357100000000, 0.0009355000000000, 0.0000420400000000 ] - [ 0.0000515500000000, 0.0001956800000000, 0.0000127200000000 ] - [ -0.0004630900000000, -0.0009754400000000, -0.0006262300000000 ] - [ -0.0001760300000000, -0.0002519500000000, 0.0001496700000000 ] - [ 0.0018218400000000, -0.0002920100000000, -0.0022202500000000 ] - [ 0.0000272400000000, -0.0001237500000000, 0.0004170600000000 ] - [ 0.0006279600000000, -0.0011823100000000, 0.0011466500000000 ] - [ 0.0001523400000000, -0.0001517700000000, -0.0002280600000000 ] - [ 0.0032707400000000, -0.0000101400000000, -0.0013096700000000 ] - [ 0.0002514800000000, 0.0001941800000000, 0.0001780600000000 ] - [ 0.0056235200000000, -0.0009644100000000, 0.0043354800000000 ] - [ -0.0000274100000000, -0.0001554400000000, -0.0005794900000000 ] - [ 0.0004227000000000, 0.0024222900000000, -0.0015612800000000 ] - [ -0.0001512300000000, 0.0002679300000000, 0.0002076700000000 ] - [ -0.0020325600000000, 0.0021056400000000, -0.0003497100000000 ] - [ 0.0001063400000000, 0.0002632900000000, 0.0000076800000000 ] - [ 0.0018099600000000, -0.0032007000000000, -0.0022773900000000 ] - [ 0.0001903000000000, -0.0001700900000000, 0.0002842100000000 ] - [ -0.0010571200000000, -0.0026268700000000, 0.0013081600000000 ] - [ -0.0002617700000000, -0.0003858600000000, -0.0001966400000000 ] - [ -0.0679747800000000, -0.0284815900000000, -0.0001341400000000 ] - [ -0.0006295400000000, 0.0002186800000000, -0.0003999200000000 ] - [ -0.0026344700000000, -0.0002780400000000, -0.0003350600000000 ] - [ -0.0011239700000000, -0.0002801300000000, 0.0002939300000000 ] - [ 0.0009280600000000, 0.0009780500000000, 0.0005683000000000 ] - [ 0.0007641600000000, 0.0006619300000000, 0.0004869600000000 ] - [ 0.0010557400000000, -0.0001306200000000, 0.0003345700000000 ] - [ 0.0004895700000000, -0.0001796400000000, 0.0004077900000000 ] - [ -0.1458548200000000, 0.0695837600000000, 0.0006884300000000 ] - [ -0.0002764400000000, -0.0002411600000000, -0.0003895200000000 ] - [ -0.0011949600000000, 0.0003177000000000, -0.0012516700000000 ] - [ -0.0007578400000000, 0.0002096500000000, 0.0005744000000000 ] - [ -0.0006036100000000, 0.0002281300000000, 0.0004761200000000 ] - [ -0.0003691700000000, -0.0000388200000000, 0.0004570700000000 ] - [ 0.0014534900000000, -0.0006675200000000, -0.0001818700000000 ] - [ 0.0001261900000000, 0.0001786200000000, -0.0001810400000000 ] - [ -0.0036028700000000, 0.0006698200000000, 0.0014762100000000 ] - [ -0.0010442200000000, 0.0003669400000000, -0.0001285500000000 ] - [ -0.0000132200000000, 0.0002263800000000, 0.0004788400000000 ] - [ -0.0000542300000000, 0.0002542600000000, 0.0004413800000000 ] - [ 0.0027576000000000, 0.0028734800000000, -0.0007346800000000 ] - [ 0.0000824900000000, 0.0005468400000000, -0.0004873100000000 ] - [ 0.0005133200000000, -0.0002745400000000, 0.0003429300000000 ] - [ 0.0002479400000000, 0.0000913400000000, 0.0004292400000000 ] - [ 0.0023611600000000, -0.0006195000000000, -0.0003479600000000 ] - [ -0.0000607800000000, -0.0003573100000000, -0.0004698400000000 ] - [ 0.0004404300000000, -0.0005542000000000, -0.0001836400000000 ] - [ 0.0002714100000000, -0.0001377300000000, -0.0001697000000000 ] - [ 0.0016377500000000, -0.0012011300000000, 0.0004744000000000 ] - [ 0.0009839200000000, -0.0008091200000000, 0.0003153700000000 ] - [ 0.0009768400000000, 0.0006972700000000, -0.0004278600000000 ] - [ 0.0004456600000000, -0.0000363500000000, -0.0004687600000000 ] - [ 0.0084557600000000, 0.0139484700000000, -0.0010896500000000 ] - [ 0.0001450600000000, 0.0002707900000000, -0.0003816600000000 ] - [ 0.0005270200000000, -0.0017488700000000, -0.0001743100000000 ] - [ -0.0001845900000000, -0.0003690500000000, -0.0001812500000000 ] - [ 0.2651653000000000, -0.0767899100000000, -0.0012472200000000 ] - [ 0.0000795200000000, -0.0001625100000000, 0.0003855500000000 ] - [ 0.0085591900000000, 0.0169604200000000, 0.0014124100000000 ] - [ 0.0004106600000000, 0.0001026100000000, 0.0002892300000000 ] - [ -0.0003352200000000, -0.0005450200000000, 0.0001139600000000 ] - [ -0.0001456900000000, -0.0004793400000000, -0.0001621600000000 ] - [ 0.0010980300000000, 0.0001874300000000, 0.0000397000000000 ] - [ 0.0004912300000000, 0.0003051200000000, -0.0002918300000000 ] - [ -0.0004832300000000, 0.0002416600000000, -0.0002912300000000 ] - [ -0.0003318000000000, 0.0001491700000000, -0.0004377600000000 ] - [ -0.0070458100000000, -0.0042215900000000, 0.0010169700000000 ] - [ -0.0002339200000000, 0.0001679600000000, 0.0003009900000000 ] - [ 0.0005227800000000, 0.0003446800000000, 0.0001439100000000 ] - [ 0.0004138100000000, 0.0000089000000000, -0.0004839300000000 ] - [ 0.0031139200000000, 0.0356714200000000, -0.0014464600000000 ] - [ 0.0001809200000000, -0.0003375800000000, 0.0002819600000000 ] - [ -0.0011085800000000, -0.0018031800000000, 0.0000493200000000 ] - [ -0.0004419700000000, -0.0001220300000000, 0.0000341700000000 ] - [ -0.0003156900000000, 0.0014705200000000, 0.0001871700000000 ] - [ 0.0002434200000000, 0.0003642300000000, 0.0002430200000000 ] - [ 0.0002599000000000, -0.0013812900000000, 0.0000718200000000 ] - [ -0.0002882400000000, -0.0004383900000000, 0.0000773500000000 ] - [ -0.0005565400000000, 0.0012022000000000, 0.0003960800000000 ] - [ 0.0000500100000000, 0.0004337100000000, 0.0003734500000000 ] - [ -0.0017580400000000, 0.0001562900000000, 0.0003565400000000 ] - [ -0.0001737000000000, -0.0003180900000000, 0.0002334100000000 ] - [ 0.0003090000000000, 0.0004341100000000, -0.0001833500000000 ] - [ 0.0002192600000000, 0.0003845700000000, 0.0000682200000000 ] - [ -0.0006272400000000, 0.0007793300000000, 0.0003606300000000 ] - [ 0.0001959500000000, -0.0001516400000000, 0.0003820300000000 ] - [ -0.0012092900000000, 0.0002209700000000, -0.0006122100000000 ] - [ -0.0006254800000000, 0.0000913300000000, -0.0001856500000000 ] - [ -0.0005522500000000, 0.0009750400000000, -0.0002843200000000 ] - [ -0.0002136800000000, 0.0005577100000000, -0.0004663800000000 ] - [ -0.0039598300000000, -0.0044214800000000, -0.0000110000000000 ] - [ 0.0004363500000000, -0.0003213100000000, 0.0000688100000000 ] - [ -0.0025755300000000, -0.0008129300000000, 0.0000460600000000 ] - [ 0.0000281200000000, -0.0003457200000000, 0.0000439700000000 ] - [ 0.0022292000000000, -0.0008195700000000, 0.0004712700000000 ] - [ 0.0009343700000000, -0.0005430400000000, -0.0006315500000000 ] - [ -0.0013991300000000, 0.0005077900000000, 0.0003922900000000 ] - [ -0.0004574800000000, -0.0000394300000000, 0.0003770500000000 ] - [ 0.0014017200000000, -0.0003434100000000, 0.0005233700000000 ] - [ 0.0007893400000000, 0.0000411800000000, -0.0007256800000000 ] - [ -0.0004723600000000, 0.0000954200000000, 0.0002150700000000 ] - [ -0.0003454800000000, 0.0000881700000000, 0.0002289900000000 ] - [ 0.0003103200000000, -0.0002864000000000, 0.0010601500000000 ] - [ 0.0004233400000000, -0.0002995600000000, -0.0007677000000000 ] - [ -0.0004867300000000, 0.0008470900000000, 0.0000284100000000 ] - [ 0.0001285700000000, 0.0003963200000000, 0.0000275000000000 ] - [ 0.0010356900000000, -0.0009957300000000, -0.0025371800000000 ] - [ 0.0002856200000000, -0.0004049900000000, 0.0003868400000000 ] - [ -0.0007638500000000, 0.0000141800000000, 0.0001404200000000 ] - [ -0.0003866800000000, 0.0001643600000000, -0.0005486100000000 ] - [ 0.0009375600000000, -0.0004060100000000, 0.0002954000000000 ] - [ 0.0007091900000000, -0.0001661600000000, -0.0002761000000000 ] - [ -0.0010024700000000, 0.0008573800000000, -0.0011386000000000 ] - [ -0.0006012100000000, 0.0003044800000000, 0.0002303500000000 ] - [ 0.0014788700000000, 0.0004750100000000, -0.0013572600000000 ] - [ 0.0003510600000000, 0.0001853600000000, -0.0000138400000000 ] - [ -0.0016165300000000, -0.0004737900000000, -0.0006306300000000 ] - [ -0.0009767900000000, -0.0000876900000000, 0.0003072100000000 ] - [ -0.0003036400000000, -0.0005617500000000, -0.0001101100000000 ] - [ -0.0003587600000000, -0.0003072500000000, 0.0000184200000000 ] - [ -0.0523622300000000, 0.0108607900000000, 0.0013956300000000 ] - [ 0.0002545500000000, -0.0000887600000000, 0.0003752500000000 ] - [ -0.0136531000000000, -0.0329217900000000, 0.0009389200000000 ] - [ 0.0002463100000000, 0.0000921100000000, 0.0003815700000000 ] - [ -0.0027553000000000, 0.0015914000000000, 0.0000615100000000 ] - [ -0.0003154800000000, 0.0005699500000000, 0.0000856800000000 ] - [ -0.0008825600000000, 0.0001569100000000, 0.0000444300000000 ] - [ -0.0005005000000000, -0.0002592800000000, -0.0001914900000000 ]- atom: 61 displacement: [ -0.0050000000040513, 0.0086602540355054, 0.0000000000000000 ] forces: - [ -0.0010261700000000, -0.0002760000000000, -0.0003848400000000 ] - [ -0.0002699100000000, 0.0000308600000000, 0.0000512100000000 ] - [ 0.0009197800000000, 0.0005475600000000, 0.0004174000000000 ] - [ 0.0001537600000000, 0.0002361900000000, -0.0000708500000000 ] - [ -0.0023369800000000, -0.0011524100000000, 0.0024971500000000 ] - [ -0.0000708100000000, 0.0000463600000000, -0.0004052900000000 ] - [ 0.0000012200000000, -0.0025877500000000, -0.0023109900000000 ] - [ -0.0000622700000000, -0.0003952400000000, 0.0005017600000000 ] - [ 0.0020278400000000, 0.0016866800000000, -0.0024155800000000 ] - [ -0.0000325700000000, 0.0001413900000000, 0.0004268400000000 ] - [ 0.0021356700000000, -0.0015580300000000, 0.0021101200000000 ] - [ 0.0003612200000000, -0.0001949300000000, -0.0004587100000000 ] - [ 0.0022069000000000, 0.0010976000000000, -0.0006191500000000 ] - [ 0.0002326000000000, 0.0003375200000000, 0.0000837100000000 ] - [ 0.0068902400000000, 0.0047952200000000, 0.0051828100000000 ] - [ -0.0000876100000000, 0.0001655100000000, -0.0005748100000000 ] - [ -0.0024653800000000, -0.0006718000000000, 0.0005879300000000 ] - [ -0.0003653900000000, 0.0000513900000000, -0.0000573800000000 ] - [ -0.0067992600000000, -0.0030260200000000, -0.0046598700000000 ] - [ -0.0000797000000000, 0.0001184900000000, 0.0005355000000000 ] - [ 0.0065125800000000, -0.0042934900000000, -0.0045571000000000 ] - [ 0.0004887600000000, -0.0002228200000000, 0.0005849600000000 ] - [ -0.0001438200000000, -0.0076737000000000, 0.0045484200000000 ] - [ -0.0001182900000000, -0.0005567900000000, -0.0006300500000000 ] - [ -0.0057193700000000, 0.1429484500000000, -0.0020875000000000 ] - [ -0.0005704500000000, 0.0005600900000000, -0.0004009800000000 ] - [ -0.0024286600000000, 0.0013273000000000, 0.0012784000000000 ] - [ -0.0008839000000000, 0.0005754500000000, -0.0001208400000000 ] - [ 0.0003143500000000, 0.0015615700000000, 0.0004598300000000 ] - [ 0.0004024800000000, 0.0009833900000000, 0.0005335200000000 ] - [ 0.0007975000000000, -0.0010319100000000, 0.0003644600000000 ] - [ 0.0002828100000000, -0.0006522900000000, 0.0003725600000000 ] - [ -0.1406820300000000, 0.1407593500000000, 0.0012104000000000 ] - [ -0.0001756200000000, 0.0000858900000000, -0.0003734600000000 ] - [ -0.0000543000000000, 0.0029016300000000, -0.0010988900000000 ] - [ -0.0003076400000000, 0.0012910500000000, 0.0005321300000000 ] - [ -0.0014805400000000, -0.0003341100000000, 0.0004153700000000 ] - [ -0.0009430700000000, -0.0004402800000000, 0.0005196100000000 ] - [ 0.0020542900000000, -0.0005028000000000, -0.0001663400000000 ] - [ 0.0001349200000000, 0.0001945500000000, -0.0001854900000000 ] - [ -0.0018432800000000, 0.0047944900000000, -0.0001678800000000 ] - [ -0.0005883300000000, 0.0017025700000000, 0.0002773100000000 ] - [ 0.0001687200000000, -0.0000582100000000, 0.0005511500000000 ] - [ 0.0000742800000000, 0.0000032200000000, 0.0003742900000000 ] - [ 0.0002050200000000, 0.0003682600000000, -0.0005120800000000 ] - [ -0.0001016500000000, 0.0004670400000000, -0.0004847600000000 ] - [ 0.0008764900000000, -0.0023996400000000, 0.0002416400000000 ] - [ 0.0004176600000000, -0.0010014300000000, 0.0004901300000000 ] - [ 0.0022254800000000, -0.0021229900000000, -0.0003618800000000 ] - [ -0.0000179700000000, -0.0005070100000000, -0.0004653400000000 ] - [ 0.0001250500000000, -0.0024356300000000, -0.0001966700000000 ] - [ 0.0002788200000000, -0.0003204100000000, -0.0001604900000000 ] - [ 0.0028259200000000, -0.0021909200000000, 0.0005334800000000 ] - [ 0.0015149900000000, -0.0012648100000000, 0.0002949400000000 ] - [ 0.0000894000000000, -0.0027805800000000, -0.0005782200000000 ] - [ 0.0003161400000000, -0.0003570700000000, -0.0004740700000000 ] - [ -0.0062380600000000, 0.0309059800000000, -0.0006166400000000 ] - [ 0.0001786500000000, 0.0005596500000000, -0.0003851100000000 ] - [ 0.0025536300000000, -0.0033926000000000, -0.0001866500000000 ] - [ -0.0000086400000000, -0.0004566800000000, -0.0001785200000000 ] - [ 0.2020578300000000, -0.4288496800000000, -0.0002115100000000 ] - [ 0.0000720900000000, -0.0004528400000000, 0.0003765900000000 ] - [ -0.0199563600000000, 0.0632977800000000, 0.0046693900000000 ] - [ 0.0003069500000000, -0.0000851600000000, 0.0003056900000000 ] - [ -0.0001228800000000, -0.0005405200000000, 0.0001190400000000 ] - [ -0.0000074400000000, -0.0004330500000000, -0.0001611900000000 ] - [ 0.0013143800000000, -0.0002332100000000, -0.0016280700000000 ] - [ 0.0005486200000000, -0.0000826600000000, 0.0004071600000000 ] - [ -0.0001375000000000, 0.0013940600000000, -0.0003297700000000 ] - [ -0.0001433400000000, 0.0007384500000000, -0.0004058900000000 ] - [ 0.0000681800000000, -0.0065313700000000, 0.0004880300000000 ] - [ -0.0002578200000000, 0.0000646200000000, 0.0002877400000000 ] - [ 0.0000677100000000, 0.0019127600000000, 0.0012827100000000 ] - [ 0.0001399000000000, 0.0006946000000000, -0.0011197900000000 ] - [ -0.0195590500000000, 0.0719591000000000, -0.0040617500000000 ] - [ 0.0001676500000000, -0.0005323000000000, 0.0002655700000000 ] - [ 0.0005083400000000, 0.0008863800000000, -0.0000038300000000 ] - [ -0.0002763900000000, 0.0000446500000000, 0.0000416400000000 ] - [ -0.0019133200000000, 0.0029599500000000, 0.0001755700000000 ] - [ 0.0000591700000000, 0.0004835100000000, 0.0002342200000000 ] - [ 0.0007660300000000, 0.0018252800000000, 0.0001124300000000 ] - [ -0.0002425600000000, -0.0002300900000000, 0.0000598300000000 ] - [ -0.0013917600000000, 0.0031582700000000, 0.0004659200000000 ] - [ -0.0000258100000000, 0.0005356800000000, 0.0003665900000000 ] - [ -0.0016646100000000, -0.0000639900000000, 0.0003812700000000 ] - [ -0.0001302100000000, -0.0003349100000000, 0.0002343500000000 ] - [ 0.0007452100000000, 0.0009916400000000, -0.0005374800000000 ] - [ 0.0004855200000000, 0.0007058400000000, 0.0003204500000000 ] - [ -0.0017176500000000, 0.0016454400000000, 0.0003188900000000 ] - [ 0.0001587200000000, -0.0001181500000000, 0.0003867700000000 ] - [ -0.0014583000000000, 0.0004310800000000, -0.0006251500000000 ] - [ -0.0006896900000000, 0.0002007000000000, -0.0002054100000000 ] - [ -0.0013149100000000, 0.0021738200000000, -0.0002264900000000 ] - [ -0.0005663800000000, 0.0011299100000000, -0.0004897200000000 ] - [ 0.0013972100000000, -0.0023684700000000, 0.0002410800000000 ] - [ 0.0005873000000000, -0.0003649300000000, 0.0000753900000000 ] - [ -0.0006281300000000, -0.0001831100000000, -0.0000037900000000 ] - [ 0.0001193300000000, -0.0003189800000000, 0.0000377700000000 ] - [ 0.0011363700000000, -0.0023167600000000, 0.0014361300000000 ] - [ 0.0005468400000000, -0.0011271200000000, -0.0010288300000000 ] - [ -0.0015127100000000, 0.0016763400000000, 0.0003736500000000 ] - [ -0.0004536700000000, 0.0000634800000000, 0.0003718100000000 ] - [ 0.0015836000000000, -0.0021490400000000, -0.0003601900000000 ] - [ 0.0007921700000000, -0.0007071500000000, -0.0004072300000000 ] - [ 0.0001202900000000, 0.0020249400000000, 0.0002381200000000 ] - [ -0.0003014700000000, 0.0003391500000000, 0.0002290600000000 ] - [ -0.0001451500000000, -0.0012866400000000, 0.0011285700000000 ] - [ 0.0002399600000000, -0.0007300100000000, -0.0008535100000000 ] - [ -0.0005345400000000, 0.0024876900000000, 0.0001373400000000 ] - [ 0.0001352400000000, 0.0005583500000000, 0.0000235800000000 ] - [ 0.0008011000000000, -0.0025606900000000, 0.0003024800000000 ] - [ 0.0001317200000000, -0.0010766400000000, -0.0003440400000000 ] - [ -0.0002354700000000, 0.0002411100000000, -0.0002373800000000 ] - [ -0.0001261300000000, 0.0002826700000000, -0.0003047900000000 ] - [ 0.0016869300000000, 0.0007337400000000, 0.0004601200000000 ] - [ 0.0010914500000000, 0.0003806400000000, -0.0003782300000000 ] - [ -0.0022579800000000, 0.0008928100000000, -0.0019366600000000 ] - [ -0.0011223500000000, 0.0002312900000000, 0.0005932500000000 ] - [ 0.0007096400000000, -0.0021546200000000, -0.0024131500000000 ] - [ 0.0000041600000000, -0.0008054700000000, 0.0002134800000000 ] - [ -0.0014779200000000, -0.0010411900000000, -0.0009028900000000 ] - [ -0.0008572500000000, -0.0002973900000000, 0.0004007100000000 ] - [ 0.0004453000000000, -0.0004412600000000, 0.0002836700000000 ] - [ 0.0000638600000000, -0.0002223300000000, -0.0002641600000000 ] - [ -0.0439847900000000, -0.0097772900000000, 0.0013222200000000 ] - [ 0.0001309200000000, -0.0003309500000000, 0.0003664900000000 ] - [ 0.0303943300000000, 0.0019252200000000, -0.0001133600000000 ] - [ 0.0002224700000000, -0.0000649900000000, 0.0003869400000000 ] - [ -0.0031090900000000, 0.0013481200000000, -0.0000492400000000 ] - [ -0.0004299600000000, 0.0005580500000000, 0.0000885100000000 ] - [ -0.0020030700000000, 0.0012507500000000, 0.0001614700000000 ] - [ -0.0009162900000000, 0.0001987000000000, -0.0001987700000000 ]- atom: 61 displacement: [ 0.0050000000040513, -0.0086602540355054, 0.0000000000000000 ] forces: - [ 0.0008845100000000, 0.0005012000000000, 0.0003789900000000 ] - [ 0.0001337800000000, 0.0002003900000000, -0.0000505100000000 ] - [ -0.0010676200000000, -0.0002835600000000, -0.0004171700000000 ] - [ -0.0003044600000000, 0.0000254100000000, 0.0000706500000000 ] - [ 0.0026172900000000, 0.0011595600000000, -0.0024829300000000 ] - [ 0.0003713500000000, -0.0000423300000000, 0.0004042500000000 ] - [ -0.0001435700000000, 0.0023259700000000, 0.0023174300000000 ] - [ -0.0000857000000000, 0.0001325000000000, -0.0005035900000000 ] - [ -0.0021386100000000, -0.0019419700000000, 0.0024001700000000 ] - [ -0.0000993100000000, -0.0003789300000000, -0.0004238400000000 ] - [ -0.0018517100000000, 0.0015550300000000, -0.0020924200000000 ] - [ -0.0000917000000000, 0.0001966600000000, 0.0004544700000000 ] - [ -0.0024266100000000, -0.0007072700000000, 0.0006203600000000 ] - [ -0.0004539600000000, 0.0000480600000000, -0.0000835400000000 ] - [ -0.0070141300000000, -0.0052074000000000, -0.0051462200000000 ] - [ -0.0001084100000000, -0.0005121000000000, 0.0005708300000000 ] - [ 0.0022463900000000, 0.0009940200000000, -0.0005753100000000 ] - [ 0.0001659100000000, 0.0002912100000000, 0.0000566800000000 ] - [ 0.0071808200000000, 0.0030427700000000, 0.0046305500000000 ] - [ 0.0005223600000000, -0.0001151400000000, -0.0005332400000000 ] - [ -0.0060625600000000, 0.0042831700000000, 0.0045173400000000 ] - [ -0.0000917800000000, 0.0002254000000000, -0.0005795900000000 ] - [ -0.0000581200000000, 0.0072937600000000, -0.0045611400000000 ] - [ -0.0001020800000000, 0.0001677700000000, 0.0006323400000000 ] - [ 0.0023720600000000, -0.1519264000000000, 0.0014874100000000 ] - [ -0.0000497500000000, -0.0002277600000000, -0.0003750200000000 ] - [ 0.0023296500000000, -0.0018938500000000, -0.0009221900000000 ] - [ 0.0008041800000000, -0.0011261300000000, 0.0004654100000000 ] - [ 0.0005160600000000, -0.0013672700000000, 0.0004916300000000 ] - [ 0.0004252900000000, -0.0007928800000000, 0.0004164100000000 ] - [ -0.0014356500000000, 0.0006779000000000, 0.0004122700000000 ] - [ -0.0009169200000000, 0.0003027100000000, 0.0004054600000000 ] - [ 0.1288827200000000, -0.1309115300000000, -0.0017343000000000 ] - [ 0.0001932500000000, -0.0008027900000000, -0.0004026700000000 ] - [ -0.0003962000000000, -0.0025474000000000, 0.0014415600000000 ] - [ -0.0001321100000000, -0.0009444600000000, -0.0001836000000000 ] - [ 0.0012462400000000, -0.0004636600000000, 0.0005347600000000 ] - [ 0.0007090500000000, -0.0003599600000000, 0.0004311100000000 ] - [ -0.0021413000000000, 0.0010285400000000, -0.0001821200000000 ] - [ -0.0002187600000000, 0.0003476500000000, -0.0001635000000000 ] - [ 0.0023247400000000, -0.0045698600000000, 0.0005582400000000 ] - [ 0.0010945000000000, -0.0014946900000000, 0.0000602700000000 ] - [ -0.0007171600000000, 0.0006739400000000, 0.0003987000000000 ] - [ -0.0006273400000000, 0.0006092500000000, 0.0005761500000000 ] - [ -0.0004378500000000, 0.0004615400000000, -0.0004406600000000 ] - [ -0.0001488900000000, 0.0003409400000000, -0.0004661300000000 ] - [ -0.0008613400000000, 0.0031045300000000, 0.0005329900000000 ] - [ -0.0004026400000000, 0.0017157500000000, 0.0002885600000000 ] - [ -0.0027838600000000, 0.0015216900000000, -0.0005883400000000 ] - [ -0.0005571000000000, -0.0000977100000000, -0.0004857700000000 ] - [ 0.0003649300000000, 0.0022147700000000, -0.0001522900000000 ] - [ 0.0002267300000000, 0.0001163700000000, -0.0001884200000000 ] - [ -0.0022250100000000, 0.0018108300000000, 0.0002422700000000 ] - [ -0.0009134300000000, 0.0008865100000000, 0.0004828600000000 ] - [ 0.0007285400000000, 0.0025954600000000, -0.0003718800000000 ] - [ 0.0004928800000000, 0.0001746100000000, -0.0004759200000000 ] - [ 0.0067416400000000, -0.0303341900000000, -0.0001567100000000 ] - [ 0.0004363000000000, -0.0001830100000000, -0.0003916900000000 ] - [ -0.0029853900000000, 0.0030401900000000, -0.0001623400000000 ] - [ -0.0004255700000000, 0.0001206700000000, -0.0001707300000000 ] - [ -0.1874134400000000, 0.4273322800000000, 0.0004225800000000 ] - [ -0.0002978900000000, 0.0003329100000000, 0.0003794500000000 ] - [ 0.0201134500000000, -0.0616682100000000, -0.0040211500000000 ] - [ 0.0002605800000000, 0.0003969200000000, 0.0002689800000000 ] - [ 0.0004629100000000, -0.0001575400000000, -0.0001895400000000 ] - [ 0.0003506800000000, -0.0002642000000000, 0.0000909600000000 ] - [ -0.0012331800000000, 0.0009509900000000, 0.0011643400000000 ] - [ -0.0004669400000000, 0.0007898500000000, -0.0008683000000000 ] - [ -0.0000847600000000, -0.0012682900000000, -0.0004259600000000 ] - [ -0.0000811500000000, -0.0006177500000000, -0.0003504600000000 ] - [ -0.0006102000000000, 0.0068244900000000, 0.0000840200000000 ] - [ -0.0003142200000000, 0.0002680000000000, 0.0002873200000000 ] - [ 0.0005101300000000, -0.0022334300000000, -0.0018410400000000 ] - [ 0.0004364400000000, -0.0010225600000000, 0.0005415600000000 ] - [ 0.0198407500000000, -0.0739895500000000, 0.0046888000000000 ] - [ -0.0001949000000000, -0.0001198900000000, 0.0003073100000000 ] - [ -0.0012825900000000, -0.0009430200000000, 0.0000735100000000 ] - [ -0.0004953500000000, -0.0000912900000000, 0.0000285400000000 ] - [ 0.0024786300000000, -0.0025329600000000, 0.0002849400000000 ] - [ 0.0005075300000000, -0.0000619300000000, 0.0002280700000000 ] - [ -0.0015206500000000, -0.0026061500000000, 0.0000359700000000 ] - [ -0.0005056700000000, -0.0005619400000000, 0.0000900900000000 ] - [ 0.0015849500000000, -0.0024131400000000, 0.0002832700000000 ] - [ 0.0002174400000000, 0.0001910200000000, 0.0003818200000000 ] - [ 0.0017418700000000, -0.0006116900000000, 0.0000811700000000 ] - [ 0.0002104500000000, -0.0003522500000000, 0.0002283300000000 ] - [ -0.0003413700000000, -0.0003356200000000, 0.0004691300000000 ] - [ -0.0000756200000000, -0.0000495200000000, -0.0003907400000000 ] - [ 0.0022538600000000, -0.0021570700000000, 0.0004323700000000 ] - [ 0.0003754100000000, -0.0004096800000000, 0.0003644900000000 ] - [ 0.0014711600000000, -0.0006801100000000, -0.0001308400000000 ] - [ 0.0007008000000000, -0.0004527100000000, -0.0005494500000000 ] - [ 0.0015213900000000, -0.0020259500000000, -0.0005270700000000 ] - [ 0.0007754600000000, -0.0009844000000000, -0.0002682900000000 ] - [ -0.0003780900000000, 0.0020796400000000, -0.0000948400000000 ] - [ 0.0004767100000000, 0.0001150900000000, 0.0000747900000000 ] - [ 0.0010391600000000, -0.0004776200000000, 0.0000737400000000 ] - [ 0.0003116000000000, -0.0003361600000000, 0.0000318400000000 ] - [ -0.0009399300000000, 0.0015751300000000, -0.0021845400000000 ] - [ -0.0003672700000000, 0.0003950500000000, 0.0002814200000000 ] - [ 0.0007979400000000, -0.0018761600000000, 0.0003759200000000 ] - [ -0.0002620500000000, -0.0002762100000000, 0.0003779400000000 ] - [ -0.0010362100000000, 0.0026674800000000, -0.0003912100000000 ] - [ -0.0002550100000000, 0.0012313100000000, -0.0003388000000000 ] - [ -0.0007433800000000, -0.0017230500000000, 0.0002264700000000 ] - [ -0.0003338100000000, -0.0000464300000000, 0.0002343700000000 ] - [ 0.0007218200000000, 0.0008680100000000, -0.0015834000000000 ] - [ 0.0003342500000000, 0.0003174800000000, 0.0003862900000000 ] - [ 0.0008881000000000, -0.0017976400000000, -0.0000688000000000 ] - [ 0.0002245700000000, 0.0001290600000000, 0.0000460900000000 ] - [ -0.0014393600000000, 0.0022648700000000, -0.0008045600000000 ] - [ -0.0007669700000000, 0.0007942200000000, -0.0001124700000000 ] - [ 0.0002308100000000, 0.0004114400000000, -0.0003367300000000 ] - [ 0.0001172900000000, 0.0003662300000000, -0.0002678000000000 ] - [ -0.0006223700000000, -0.0004753800000000, -0.0006081300000000 ] - [ -0.0000300900000000, -0.0001251800000000, 0.0002256500000000 ] - [ 0.0017051000000000, -0.0012341000000000, 0.0013687400000000 ] - [ 0.0005692800000000, -0.0005765000000000, -0.0011646500000000 ] - [ -0.0014214100000000, 0.0023602900000000, 0.0016295200000000 ] - [ -0.0007258000000000, 0.0010017900000000, -0.0009552600000000 ] - [ 0.0007261600000000, 0.0018322200000000, 0.0007502500000000 ] - [ 0.0001073500000000, 0.0010927700000000, -0.0005480800000000 ] - [ -0.0012294800000000, 0.0004849200000000, -0.0003518000000000 ] - [ -0.0008471300000000, 0.0002662900000000, 0.0001931100000000 ] - [ 0.0437746900000000, 0.0094259900000000, -0.0005551200000000 ] - [ 0.0000823800000000, 0.0001914000000000, 0.0003895800000000 ] - [ -0.0301110300000000, -0.0013102900000000, 0.0008617900000000 ] - [ -0.0002050500000000, 0.0003152100000000, 0.0003689000000000 ] - [ 0.0027823500000000, -0.0003068900000000, 0.0001969600000000 ] - [ 0.0001180500000000, 0.0004858800000000, 0.0000615600000000 ] - [ 0.0016795100000000, -0.0022962700000000, -0.0003000900000000 ] - [ 0.0005967700000000, -0.0012440000000000, 0.0000408300000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000922900000000, 0.0000807800000000, 0.0001727900000000 ] - [ 0.0000024500000000, 0.0001693500000000, -0.0002013800000000 ] - [ -0.0000053200000000, 0.0001616100000000, 0.0001685700000000 ] - [ -0.0000474600000000, 0.0001361900000000, -0.0002004900000000 ] - [ 0.0004618400000000, 0.0012624200000000, -0.0000720300000000 ] - [ 0.0001024100000000, -0.0003064200000000, -0.0004144100000000 ] - [ -0.0000601800000000, -0.0005424700000000, 0.0000736700000000 ] - [ -0.0001088800000000, 0.0000485000000000, -0.0002285600000000 ] - [ 0.0015035000000000, -0.0005776000000000, -0.0001500700000000 ] - [ -0.0003766500000000, 0.0000185600000000, -0.0005497900000000 ] - [ -0.0000955800000000, 0.0002785800000000, 0.0000948000000000 ] - [ 0.0002476300000000, -0.0001386200000000, -0.0002214900000000 ] - [ -0.0002772500000000, 0.0002216400000000, 0.0005108800000000 ] - [ -0.0001398800000000, 0.0001678500000000, -0.0003497600000000 ] - [ -0.0031734700000000, 0.0010202500000000, 0.0014475400000000 ] - [ 0.0001750300000000, -0.0003183900000000, -0.0008819400000000 ] - [ -0.0001242700000000, 0.0000272400000000, 0.0005810300000000 ] - [ -0.0001987800000000, 0.0000908500000000, -0.0003376800000000 ] - [ -0.0000403500000000, -0.0019393300000000, 0.0009376100000000 ] - [ 0.0002715000000000, 0.0003297100000000, -0.0006215200000000 ] - [ 0.0004728400000000, -0.0003150200000000, 0.0003813200000000 ] - [ 0.0000779900000000, 0.0001718200000000, -0.0003298000000000 ] - [ -0.0001132900000000, 0.0002850000000000, 0.0002926200000000 ] - [ -0.0000709700000000, -0.0003782400000000, -0.0003190700000000 ] - [ -0.0005463400000000, -0.0029417800000000, 0.0475165600000000 ] - [ -0.0002976700000000, 0.0001785300000000, -0.0006829100000000 ] - [ 0.0025372900000000, 0.0023941600000000, 0.0002237100000000 ] - [ -0.0008403700000000, -0.0013284200000000, -0.0001940400000000 ] - [ 0.0001145100000000, -0.0002333800000000, 0.0005212900000000 ] - [ 0.0006336300000000, 0.0004063200000000, 0.0004642200000000 ] - [ -0.0005588700000000, -0.0001421100000000, 0.0004300300000000 ] - [ -0.0001056300000000, -0.0002106200000000, 0.0003650500000000 ] - [ -0.0018777700000000, 0.0020652200000000, 0.0475385000000000 ] - [ 0.0000256000000000, -0.0003558300000000, -0.0006749600000000 ] - [ 0.0023779600000000, 0.0003249900000000, 0.0001966000000000 ] - [ -0.0013034500000000, 0.0002136600000000, -0.0001188800000000 ] - [ -0.0002691200000000, -0.0006046700000000, 0.0005039800000000 ] - [ 0.0000334700000000, -0.0002499300000000, 0.0004446400000000 ] - [ -0.0000421800000000, 0.0003458700000000, -0.0000523600000000 ] - [ -0.0000516800000000, 0.0002754800000000, -0.0002588700000000 ] - [ 0.0014683700000000, -0.0007641400000000, -0.0032976900000000 ] - [ 0.0000454600000000, 0.0003542400000000, -0.0010729500000000 ] - [ -0.0004940200000000, 0.0001192500000000, 0.0004894800000000 ] - [ -0.0001341000000000, 0.0004483100000000, 0.0004466700000000 ] - [ -0.0000202600000000, 0.0004773800000000, -0.0005370700000000 ] - [ -0.0001446900000000, 0.0004124900000000, -0.0005630500000000 ] - [ -0.0000020400000000, 0.0002681700000000, 0.0004010400000000 ] - [ -0.0000113900000000, 0.0004535000000000, 0.0003677100000000 ] - [ -0.0002603700000000, -0.0002833600000000, -0.0003926700000000 ] - [ -0.0002983800000000, -0.0002903200000000, -0.0005306800000000 ] - [ 0.0002339400000000, -0.0001053200000000, -0.0001144900000000 ] - [ 0.0002654900000000, -0.0001201600000000, -0.0002374100000000 ] - [ 0.0000612600000000, 0.0000653300000000, 0.0003958900000000 ] - [ 0.0004474700000000, -0.0004321000000000, 0.0003337600000000 ] - [ 0.0004252600000000, -0.0000424900000000, -0.0004109600000000 ] - [ 0.0004009900000000, -0.0001126000000000, -0.0005357300000000 ] - [ -0.0002694100000000, -0.0000593800000000, 0.0002987800000000 ] - [ 0.0003302500000000, 0.0001939100000000, -0.0005749700000000 ] - [ -0.0002074700000000, -0.0001780300000000, -0.0001212800000000 ] - [ -0.0002141600000000, -0.0001696500000000, -0.0002434200000000 ] - [ 0.0005699400000000, 0.0002296700000000, -0.0385230800000000 ] - [ -0.0001218700000000, -0.0000651700000000, 0.0007314400000000 ] - [ -0.0004899300000000, 0.0011291100000000, -0.0137903100000000 ] - [ 0.0002765300000000, 0.0001438400000000, 0.0006458100000000 ] - [ 0.0004000600000000, -0.0001362100000000, -0.0000556500000000 ] - [ -0.0000071400000000, -0.0005177700000000, -0.0000269700000000 ] - [ -0.0004082500000000, -0.0010924700000000, -0.0006335500000000 ] - [ 0.0001906300000000, 0.0009786500000000, -0.0000983700000000 ] - [ -0.0000268000000000, 0.0000629900000000, -0.0004081400000000 ] - [ -0.0001727800000000, 0.0000603300000000, -0.0003535400000000 ] - [ 0.0002145900000000, 0.0003577500000000, 0.0009471400000000 ] - [ -0.0002966700000000, 0.0001669200000000, 0.0005220000000000 ] - [ 0.0001745600000000, 0.0000073000000000, -0.0004056800000000 ] - [ 0.0003874800000000, -0.0002835900000000, -0.0001674900000000 ] - [ 0.0000557200000000, -0.0018152200000000, -0.0146266100000000 ] - [ -0.0000153900000000, -0.0003194100000000, 0.0006591100000000 ] - [ -0.0003889300000000, -0.0000738300000000, -0.0000912400000000 ] - [ -0.0003761100000000, -0.0000230600000000, 0.0001436100000000 ] - [ 0.0002814400000000, 0.0001948000000000, 0.0001328300000000 ] - [ 0.0002782300000000, 0.0002063200000000, 0.0004279200000000 ] - [ -0.0003859900000000, -0.0004172800000000, -0.0000424400000000 ] - [ -0.0003743000000000, -0.0003753200000000, 0.0002640800000000 ] - [ 0.0001083800000000, 0.0003960000000000, 0.0003444800000000 ] - [ 0.0000895300000000, 0.0003660300000000, 0.0004536000000000 ] - [ 0.0002015800000000, -0.0004060800000000, -0.0005087000000000 ] - [ 0.0000448600000000, -0.0003325600000000, 0.0005279700000000 ] - [ 0.0004162400000000, 0.0004002300000000, -0.0000848200000000 ] - [ 0.0000608300000000, 0.0002685100000000, -0.0000372100000000 ] - [ 0.0002636600000000, -0.0002817100000000, 0.0001516000000000 ] - [ 0.0002704200000000, -0.0002626400000000, 0.0004960000000000 ] - [ 0.0002528300000000, -0.0002569700000000, -0.0003287200000000 ] - [ -0.0001653000000000, -0.0000054300000000, -0.0002313300000000 ] - [ 0.0001602900000000, -0.0000724300000000, -0.0004117200000000 ] - [ 0.0000822800000000, 0.0001838900000000, -0.0003882000000000 ] - [ 0.0004012700000000, -0.0001060900000000, -0.0014184400000000 ] - [ 0.0005257000000000, -0.0001339100000000, 0.0004377100000000 ] - [ 0.0001596100000000, -0.0003322100000000, -0.0000270700000000 ] - [ 0.0002265000000000, -0.0003332200000000, 0.0001235200000000 ] - [ -0.0017180600000000, -0.0000623400000000, 0.0005323600000000 ] - [ 0.0007359800000000, -0.0004134700000000, 0.0002155000000000 ] - [ -0.0003275800000000, -0.0001083400000000, 0.0003320100000000 ] - [ -0.0003566100000000, -0.0001001100000000, 0.0004374200000000 ] - [ -0.0007211000000000, -0.0000680200000000, -0.0004619200000000 ] - [ 0.0006222900000000, 0.0004103300000000, -0.0001458700000000 ] - [ -0.0003249700000000, 0.0002090900000000, -0.0001356600000000 ] - [ -0.0003104600000000, 0.0001549800000000, 0.0005040100000000 ] - [ -0.0008604600000000, 0.0002060100000000, -0.0005776700000000 ] - [ 0.0008119100000000, -0.0004359700000000, -0.0001280200000000 ] - [ 0.0001770000000000, 0.0003254100000000, -0.0000052800000000 ] - [ 0.0001808500000000, 0.0003424700000000, 0.0001025100000000 ] - [ 0.0004385800000000, 0.0009365200000000, 0.0027901700000000 ] - [ -0.0004943100000000, -0.0004237000000000, 0.0008169100000000 ] - [ 0.0000523000000000, 0.0003254300000000, -0.0003513100000000 ] - [ -0.0000683800000000, 0.0003162100000000, -0.0002334200000000 ] - [ 0.0005793500000000, 0.0002632900000000, -0.0001091200000000 ] - [ 0.0004731600000000, 0.0000367300000000, 0.0000329300000000 ] - [ -0.0001553800000000, -0.0006304100000000, -0.0002677300000000 ] - [ -0.0003176300000000, 0.0001317000000000, -0.0000682100000000 ] - [ -0.0016864600000000, -0.0014450500000000, 0.0022151200000000 ] - [ 0.0000792100000000, 0.0004777800000000, 0.0005019800000000 ] - [ 0.0000745000000000, 0.0007001000000000, 0.0000229400000000 ] - [ -0.0006522500000000, 0.0001429100000000, 0.0002447500000000 ] - [ -0.0002428700000000, 0.0002779900000000, -0.0000789400000000 ] - [ -0.0004742700000000, -0.0001579000000000, 0.0000451300000000 ] - [ 0.0012394000000000, -0.0001557800000000, -0.0158167400000000 ] - [ 0.0000994100000000, -0.0000763900000000, 0.0005706900000000 ] - [ 0.0009905000000000, 0.0008364400000000, -0.0158190900000000 ] - [ -0.0000049900000000, 0.0001282800000000, 0.0005706800000000 ] - [ -0.0001510300000000, 0.0005071300000000, -0.0000364600000000 ] - [ -0.0001447500000000, 0.0005060700000000, 0.0002533300000000 ] - [ 0.0000075200000000, -0.0003949600000000, -0.0002896200000000 ] - [ -0.0002562400000000, -0.0005989500000000, -0.0001192700000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000449100000000, 0.0001497900000000, -0.0001814000000000 ] - [ -0.0001365500000000, 0.0000649300000000, 0.0002030900000000 ] - [ -0.0001506000000000, 0.0000989100000000, -0.0001753700000000 ] - [ -0.0001030500000000, 0.0001241300000000, 0.0002020900000000 ] - [ -0.0001575100000000, -0.0012749600000000, 0.0000635800000000 ] - [ 0.0001979200000000, 0.0003015700000000, 0.0004137100000000 ] - [ -0.0000888900000000, 0.0002824500000000, -0.0000861700000000 ] - [ -0.0000410900000000, -0.0003040600000000, 0.0002300900000000 ] - [ -0.0016412300000000, 0.0003481500000000, 0.0001380500000000 ] - [ 0.0002360600000000, -0.0002522300000000, 0.0005472400000000 ] - [ 0.0003644400000000, -0.0002789000000000, -0.0001065000000000 ] - [ 0.0000248000000000, 0.0001358000000000, 0.0002231900000000 ] - [ 0.0000433000000000, 0.0001621200000000, -0.0005008900000000 ] - [ -0.0000813400000000, 0.0002150500000000, 0.0003482500000000 ] - [ 0.0029803500000000, -0.0013469400000000, -0.0014212300000000 ] - [ -0.0003802100000000, -0.0000252300000000, 0.0008853800000000 ] - [ -0.0000801600000000, 0.0003098800000000, -0.0005655900000000 ] - [ 0.0000014500000000, 0.0002571900000000, 0.0003358900000000 ] - [ 0.0004989200000000, 0.0019209300000000, -0.0009183600000000 ] - [ 0.0001695600000000, -0.0003370200000000, 0.0006213800000000 ] - [ -0.0000858600000000, 0.0003215200000000, -0.0003574500000000 ] - [ 0.0003248700000000, -0.0001752300000000, 0.0003274600000000 ] - [ -0.0001082200000000, -0.0006836100000000, -0.0002687300000000 ] - [ -0.0001510500000000, -0.0000004400000000, 0.0003165100000000 ] - [ 0.0003646900000000, 0.0043525700000000, -0.0483584700000000 ] - [ -0.0003217300000000, 0.0001580400000000, -0.0000934800000000 ] - [ -0.0025720600000000, -0.0028967400000000, 0.0001284900000000 ] - [ 0.0007826000000000, 0.0008032600000000, 0.0005472000000000 ] - [ 0.0007053300000000, 0.0004136400000000, 0.0004289800000000 ] - [ 0.0001878200000000, -0.0002277900000000, 0.0004847600000000 ] - [ -0.0000791000000000, -0.0002025600000000, 0.0003480100000000 ] - [ -0.0005314500000000, -0.0001337700000000, 0.0004114800000000 ] - [ 0.0029510900000000, -0.0034592000000000, -0.0483854100000000 ] - [ -0.0000031900000000, -0.0003664100000000, -0.0001016600000000 ] - [ -0.0027671900000000, 0.0000166100000000, 0.0001550600000000 ] - [ 0.0008910400000000, 0.0001255300000000, 0.0004700900000000 ] - [ 0.0000308900000000, -0.0002016500000000, 0.0004468400000000 ] - [ -0.0002709500000000, -0.0005545900000000, 0.0005047600000000 ] - [ -0.0000405300000000, 0.0002116400000000, -0.0002968400000000 ] - [ -0.0000327800000000, 0.0002717600000000, -0.0000903000000000 ] - [ -0.0009449100000000, 0.0009502200000000, 0.0035760000000000 ] - [ 0.0004702700000000, -0.0001593000000000, 0.0014425600000000 ] - [ -0.0000735600000000, 0.0004823500000000, 0.0004619000000000 ] - [ -0.0004298400000000, 0.0001560800000000, 0.0005027900000000 ] - [ -0.0002425800000000, 0.0003209500000000, -0.0004144200000000 ] - [ -0.0001107600000000, 0.0003917700000000, -0.0003882700000000 ] - [ 0.0000200200000000, 0.0004528300000000, 0.0003766900000000 ] - [ 0.0000287100000000, 0.0002658200000000, 0.0004080900000000 ] - [ -0.0003258300000000, -0.0003252400000000, -0.0005593600000000 ] - [ -0.0002799400000000, -0.0003156800000000, -0.0004211700000000 ] - [ 0.0002787800000000, -0.0000929200000000, -0.0002346800000000 ] - [ 0.0002433900000000, -0.0000832900000000, -0.0001119500000000 ] - [ 0.0005364400000000, -0.0004307600000000, 0.0003811900000000 ] - [ 0.0001490700000000, 0.0000656300000000, 0.0004424900000000 ] - [ 0.0003781400000000, -0.0001491200000000, -0.0005401800000000 ] - [ 0.0004050400000000, -0.0000706300000000, -0.0004149400000000 ] - [ 0.0008281700000000, 0.0004114800000000, -0.0010730600000000 ] - [ 0.0002892600000000, 0.0001822100000000, -0.0002022200000000 ] - [ -0.0002249900000000, -0.0001514400000000, -0.0002276000000000 ] - [ -0.0002195500000000, -0.0001631600000000, -0.0001060900000000 ] - [ -0.0024912700000000, -0.0008109300000000, 0.0394036300000000 ] - [ -0.0001067400000000, -0.0000535500000000, 0.0000237800000000 ] - [ 0.0010933100000000, -0.0009942500000000, 0.0143448900000000 ] - [ 0.0002881700000000, 0.0001712900000000, -0.0000724300000000 ] - [ -0.0000517400000000, -0.0005486800000000, -0.0000152100000000 ] - [ 0.0003554300000000, -0.0001707100000000, -0.0000413700000000 ] - [ 0.0004841700000000, 0.0017729500000000, 0.0001603000000000 ] - [ -0.0001114200000000, -0.0002872600000000, -0.0003619700000000 ] - [ -0.0002000000000000, 0.0000518100000000, -0.0003490700000000 ] - [ -0.0000529600000000, 0.0000557100000000, -0.0004012700000000 ] - [ -0.0007457400000000, -0.0000111700000000, -0.0003776700000000 ] - [ -0.0002768400000000, 0.0001656100000000, 0.0000514600000000 ] - [ 0.0003964300000000, -0.0003340600000000, -0.0001730600000000 ] - [ 0.0001848400000000, -0.0000437100000000, -0.0004022000000000 ] - [ -0.0001762800000000, 0.0013540300000000, 0.0151780700000000 ] - [ -0.0000129700000000, -0.0003365700000000, -0.0000875900000000 ] - [ -0.0003759000000000, 0.0000383000000000, 0.0001607200000000 ] - [ -0.0003915600000000, -0.0000213500000000, -0.0000745600000000 ] - [ 0.0002842400000000, 0.0002243600000000, 0.0003287400000000 ] - [ 0.0002884800000000, 0.0002137200000000, 0.0000329300000000 ] - [ -0.0003581400000000, -0.0003663100000000, 0.0001912100000000 ] - [ -0.0003729100000000, -0.0004176500000000, -0.0001156300000000 ] - [ 0.0000773700000000, 0.0003214100000000, 0.0004029800000000 ] - [ 0.0001005400000000, 0.0003594200000000, 0.0002937900000000 ] - [ -0.0001126000000000, -0.0002899800000000, 0.0009700200000000 ] - [ 0.0000388900000000, -0.0003575200000000, -0.0000664100000000 ] - [ 0.0000001500000000, 0.0002573100000000, 0.0000134200000000 ] - [ 0.0003544900000000, 0.0003873300000000, -0.0000304100000000 ] - [ 0.0002638000000000, -0.0002559900000000, 0.0005989100000000 ] - [ 0.0002634300000000, -0.0002684100000000, 0.0002543000000000 ] - [ -0.0002410400000000, 0.0000004900000000, -0.0004270000000000 ] - [ 0.0001787800000000, -0.0002521300000000, -0.0005252500000000 ] - [ 0.0000475800000000, 0.0002090200000000, -0.0003461900000000 ] - [ 0.0001270500000000, -0.0000453900000000, -0.0003657700000000 ] - [ 0.0006665500000000, -0.0001359500000000, 0.0015701100000000 ] - [ 0.0005420600000000, -0.0001114000000000, -0.0002885700000000 ] - [ 0.0002825400000000, -0.0003161400000000, 0.0000955900000000 ] - [ 0.0002074300000000, -0.0003185900000000, -0.0000556600000000 ] - [ 0.0018591200000000, -0.0006553800000000, -0.0012569700000000 ] - [ -0.0005750400000000, -0.0003118900000000, -0.0009715500000000 ] - [ -0.0003884300000000, -0.0001089800000000, 0.0004165200000000 ] - [ -0.0003588100000000, -0.0001134600000000, 0.0003109900000000 ] - [ 0.0012415400000000, 0.0005896600000000, -0.0002907400000000 ] - [ -0.0000956300000000, 0.0001141800000000, -0.0006041400000000 ] - [ -0.0003146200000000, 0.0000843600000000, 0.0005987500000000 ] - [ -0.0003278200000000, 0.0001402100000000, -0.0000413300000000 ] - [ 0.0014148200000000, -0.0006040500000000, 0.0001044400000000 ] - [ -0.0002491400000000, 0.0000336200000000, -0.0003330600000000 ] - [ 0.0001874800000000, 0.0003654200000000, 0.0000744500000000 ] - [ 0.0001796200000000, 0.0003436500000000, -0.0000340300000000 ] - [ -0.0010545600000000, -0.0011889700000000, -0.0032018500000000 ] - [ -0.0001385900000000, 0.0001526400000000, -0.0012929000000000 ] - [ -0.0000621900000000, 0.0003221200000000, -0.0002255100000000 ] - [ 0.0000580400000000, 0.0003302000000000, -0.0003365100000000 ] - [ 0.0004820600000000, -0.0000092000000000, -0.0000461300000000 ] - [ 0.0005888300000000, 0.0002175100000000, -0.0001813300000000 ] - [ -0.0003951100000000, 0.0002723700000000, -0.0003086200000000 ] - [ -0.0002319600000000, -0.0004887700000000, -0.0005018900000000 ] - [ 0.0009414300000000, 0.0016051400000000, -0.0029066900000000 ] - [ -0.0008123400000000, -0.0002891400000000, -0.0012654600000000 ] - [ -0.0008165200000000, 0.0001001500000000, -0.0001750900000000 ] - [ -0.0000901500000000, 0.0006616300000000, -0.0003952100000000 ] - [ -0.0005380900000000, -0.0002232700000000, 0.0000083400000000 ] - [ -0.0003062600000000, 0.0002089200000000, -0.0001141200000000 ] - [ -0.0008653100000000, -0.0000657900000000, 0.0165748800000000 ] - [ 0.0001111200000000, -0.0000618000000000, 0.0001845200000000 ] - [ -0.0008858400000000, -0.0004265200000000, 0.0165725100000000 ] - [ 0.0000189100000000, 0.0001218400000000, 0.0001843400000000 ] - [ -0.0001492900000000, 0.0005362300000000, 0.0001856400000000 ] - [ -0.0001659400000000, 0.0005392400000000, -0.0001048700000000 ] - [ -0.0003142500000000, -0.0006449500000000, 0.0001303500000000 ] - [ -0.0000554900000000, -0.0004439600000000, -0.0000268000000000 ]- atom: 63 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002471900000000, -0.0007339100000000, -0.0001476700000000 ] - [ -0.0000896200000000, -0.0002067000000000, -0.0000724300000000 ] - [ -0.0010220600000000, -0.0000511700000000, -0.0005523400000000 ] - [ -0.0003058800000000, 0.0000357900000000, 0.0002004400000000 ] - [ 0.0024166600000000, 0.0002142700000000, -0.0006973100000000 ] - [ 0.0004081000000000, -0.0000127500000000, -0.0007214800000000 ] - [ -0.0002657000000000, 0.0001586900000000, -0.0000645300000000 ] - [ -0.0001594300000000, 0.0000064800000000, 0.0000930500000000 ] - [ -0.0005211800000000, 0.0005894200000000, 0.0004621300000000 ] - [ -0.0001572300000000, 0.0000784100000000, -0.0001650600000000 ] - [ 0.0007571200000000, 0.0008994000000000, -0.0010455700000000 ] - [ 0.0003741800000000, 0.0000985200000000, 0.0006078600000000 ] - [ -0.0025244300000000, -0.0001097200000000, 0.0008572400000000 ] - [ -0.0004249200000000, 0.0000744200000000, -0.0002086600000000 ] - [ -0.0011062700000000, 0.0016096500000000, -0.0007066000000000 ] - [ -0.0001946000000000, 0.0000842800000000, 0.0001605600000000 ] - [ -0.0003777500000000, -0.0021957600000000, 0.0005076500000000 ] - [ -0.0001314700000000, -0.0002447000000000, 0.0000205500000000 ] - [ 0.0088986700000000, 0.0013462900000000, 0.0040354200000000 ] - [ 0.0004734600000000, -0.0000024500000000, 0.0008748300000000 ] - [ 0.0047598900000000, 0.0010395600000000, -0.0006839900000000 ] - [ 0.0005710800000000, 0.0001254500000000, -0.0006405300000000 ] - [ -0.0006860200000000, 0.0005763800000000, -0.0000325900000000 ] - [ -0.0002297100000000, -0.0000211500000000, -0.0000842300000000 ] - [ 0.0048941900000000, 0.0051139300000000, -0.0006957000000000 ] - [ -0.0002013300000000, 0.0002659900000000, -0.0003841900000000 ] - [ 0.0013938500000000, -0.0006632900000000, 0.0003358900000000 ] - [ 0.0005732000000000, -0.0004098700000000, 0.0000923200000000 ] - [ -0.0015216100000000, 0.0009608500000000, 0.0004640600000000 ] - [ -0.0005891000000000, 0.0004908900000000, 0.0005126500000000 ] - [ -0.0005686100000000, -0.0007779100000000, 0.0004028800000000 ] - [ -0.0004646400000000, -0.0005394000000000, 0.0003767300000000 ] - [ 0.0667361500000000, 0.0560408500000000, 0.0015734400000000 ] - [ 0.0003161200000000, -0.0002460600000000, -0.0003792200000000 ] - [ 0.0014937000000000, -0.0007620000000000, 0.0014252800000000 ] - [ 0.0006276500000000, -0.0001753200000000, -0.0001905500000000 ] - [ -0.0029206100000000, -0.0001677600000000, 0.0003203000000000 ] - [ -0.0013061300000000, -0.0005065600000000, 0.0005779800000000 ] - [ 0.0003490800000000, 0.0003654700000000, -0.0001686700000000 ] - [ 0.0000290800000000, 0.0002579300000000, -0.0001766900000000 ] - [ 0.0041127800000000, 0.0010741400000000, -0.0004207000000000 ] - [ 0.0017538100000000, 0.0004970000000000, 0.0002524000000000 ] - [ -0.0031108700000000, -0.0003596300000000, 0.0004045300000000 ] - [ -0.0015469000000000, 0.0001559700000000, 0.0005562100000000 ] - [ -0.0041332700000000, -0.0005754900000000, -0.0002812700000000 ] - [ -0.0005071400000000, 0.0004435900000000, -0.0004699300000000 ] - [ 0.0009757600000000, -0.0003200100000000, 0.0004446000000000 ] - [ 0.0006041900000000, -0.0000279000000000, 0.0003466500000000 ] - [ -0.0040230700000000, 0.0003005800000000, -0.0006265900000000 ] - [ -0.0006949100000000, -0.0002596000000000, -0.0004927200000000 ] - [ 0.0035139700000000, -0.0016533100000000, -0.0001379900000000 ] - [ 0.0005986600000000, -0.0002337000000000, -0.0001685600000000 ] - [ 0.0000644100000000, 0.0003373800000000, 0.0003873000000000 ] - [ 0.0001916700000000, 0.0001138300000000, 0.0003872700000000 ] - [ -0.0019136900000000, -0.0014139100000000, -0.0005051300000000 ] - [ 0.0000426900000000, -0.0001852700000000, -0.0004757400000000 ] - [ -0.0001041300000000, -0.0140231200000000, 0.0003243600000000 ] - [ 0.0003529500000000, 0.0000645300000000, -0.0003993300000000 ] - [ 0.0015814600000000, 0.0012273700000000, -0.0001842600000000 ] - [ 0.0000513500000000, -0.0000230500000000, -0.0001755400000000 ] - [ -0.0084345000000000, -0.0278270000000000, -0.0004142300000000 ] - [ -0.0002408600000000, -0.0001064000000000, 0.0003723200000000 ] - [ -0.1018392100000000, -0.0779911100000000, -0.0041745600000000 ] - [ -0.0001037700000000, 0.0000489400000000, 0.0002961800000000 ] - [ 0.0016698200000000, 0.0001028000000000, -0.0002131800000000 ] - [ 0.0008794800000000, -0.0001772100000000, 0.0000711300000000 ] - [ -0.0001041000000000, 0.0006600700000000, -0.0003659000000000 ] - [ -0.0000037300000000, 0.0004586700000000, -0.0001610600000000 ] - [ -0.0003487300000000, 0.0004554800000000, -0.0002667000000000 ] - [ -0.0002399400000000, 0.0003043000000000, -0.0004794600000000 ] - [ 0.0039111300000000, 0.0053165700000000, -0.0003512900000000 ] - [ -0.0003159100000000, 0.0002989800000000, 0.0002858900000000 ] - [ -0.0026145200000000, 0.0003764000000000, 0.0002049000000000 ] - [ -0.0008599300000000, 0.0000995100000000, -0.0005695600000000 ] - [ -0.0003016200000000, -0.0028556200000000, 0.0004666200000000 ] - [ -0.0000846300000000, -0.0004360200000000, 0.0002849700000000 ] - [ 0.0018820300000000, 0.0012445000000000, -0.0002637000000000 ] - [ -0.0001486900000000, 0.0000363500000000, 0.0000415800000000 ] - [ -0.0000186000000000, -0.0017714800000000, 0.0005878500000000 ] - [ 0.0001793700000000, 0.0000278800000000, 0.0002044900000000 ] - [ 0.0001742000000000, 0.0003643900000000, 0.0000981900000000 ] - [ -0.0002389500000000, -0.0003355600000000, 0.0000742000000000 ] - [ -0.0022877700000000, -0.0001618200000000, 0.0003916600000000 ] - [ -0.0001558200000000, 0.0003359700000000, 0.0003613000000000 ] - [ 0.0005731000000000, -0.0004208200000000, 0.0002500500000000 ] - [ 0.0001711900000000, -0.0003144600000000, 0.0002321100000000 ] - [ 0.0028663800000000, 0.0001223600000000, -0.0000510900000000 ] - [ 0.0012811000000000, 0.0002565600000000, -0.0000466200000000 ] - [ -0.0002140100000000, -0.0010522200000000, 0.0003786300000000 ] - [ 0.0001996200000000, -0.0003599200000000, 0.0003835900000000 ] - [ 0.0000466500000000, -0.0002286400000000, -0.0003511500000000 ] - [ 0.0000298300000000, -0.0001742800000000, -0.0004029500000000 ] - [ -0.0005038600000000, -0.0001921500000000, -0.0007079400000000 ] - [ -0.0002244200000000, -0.0000331800000000, -0.0001303600000000 ] - [ 0.0043033200000000, -0.0005188400000000, -0.0001195600000000 ] - [ 0.0007246600000000, -0.0001579000000000, 0.0000950000000000 ] - [ 0.0038337900000000, -0.0000399200000000, 0.0000457400000000 ] - [ 0.0005777200000000, -0.0003320900000000, 0.0000346600000000 ] - [ -0.0024910400000000, 0.0000851400000000, -0.0011822300000000 ] - [ -0.0009317700000000, -0.0002603200000000, -0.0001482000000000 ] - [ -0.0010280600000000, 0.0007651500000000, 0.0003420300000000 ] - [ -0.0004554700000000, -0.0000057800000000, 0.0003729100000000 ] - [ -0.0006639200000000, 0.0011842600000000, -0.0008373200000000 ] - [ -0.0001394300000000, 0.0006014100000000, -0.0001904700000000 ] - [ -0.0014147100000000, 0.0031048400000000, -0.0001995700000000 ] - [ -0.0004871300000000, 0.0003843700000000, 0.0002508600000000 ] - [ 0.0001103200000000, 0.0010279100000000, -0.0017887600000000 ] - [ 0.0000556700000000, 0.0002504500000000, 0.0004885000000000 ] - [ 0.0019884800000000, -0.0003213500000000, 0.0001058500000000 ] - [ 0.0004251100000000, 0.0002686800000000, 0.0000434700000000 ] - [ -0.0017738000000000, -0.0021879500000000, 0.0015893000000000 ] - [ -0.0009640300000000, -0.0008586800000000, -0.0009374400000000 ] - [ 0.0002307900000000, 0.0008578500000000, -0.0005242600000000 ] - [ 0.0001013900000000, 0.0006239000000000, -0.0001327300000000 ] - [ 0.0031047600000000, 0.0019756600000000, 0.0015529500000000 ] - [ 0.0013245400000000, 0.0006028700000000, -0.0007404000000000 ] - [ -0.0001990100000000, -0.0006163500000000, -0.0001949700000000 ] - [ -0.0002526700000000, -0.0004082900000000, -0.0003270400000000 ] - [ -0.0015580500000000, -0.0005625700000000, -0.0002492200000000 ] - [ -0.0008635100000000, -0.0001935300000000, -0.0003817800000000 ] - [ 0.0004662300000000, 0.0000434000000000, -0.0000304300000000 ] - [ 0.0000505700000000, 0.0002488400000000, -0.0001327800000000 ] - [ 0.0015267400000000, -0.0007085700000000, 0.0007910500000000 ] - [ 0.0004251400000000, -0.0002218000000000, -0.0004780100000000 ] - [ 0.0206011800000000, 0.0494225500000000, 0.0016787400000000 ] - [ -0.0000703200000000, -0.0000690000000000, 0.0003712700000000 ] - [ -0.0059224200000000, 0.0031216000000000, 0.0002963100000000 ] - [ -0.0000938800000000, 0.0001559900000000, 0.0003833900000000 ] - [ 0.0034085700000000, 0.0001546700000000, 0.0004505500000000 ] - [ 0.0001054200000000, 0.0004931800000000, 0.0000535100000000 ] - [ 0.0035136500000000, -0.0010647600000000, -0.0019065100000000 ] - [ 0.0009844300000000, -0.0006627200000000, 0.0006708200000000 ]- atom: 63 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001076800000000, 0.0009596400000000, 0.0001461500000000 ] - [ -0.0000468600000000, 0.0004362100000000, 0.0000715300000000 ] - [ 0.0008664700000000, 0.0003136000000000, 0.0005502900000000 ] - [ 0.0001535600000000, 0.0002254000000000, -0.0002002600000000 ] - [ -0.0020530700000000, -0.0001685400000000, 0.0006131400000000 ] - [ -0.0001059300000000, 0.0000156900000000, 0.0007135400000000 ] - [ 0.0001171000000000, -0.0004255900000000, 0.0000608900000000 ] - [ 0.0000100600000000, -0.0002681800000000, -0.0000934300000000 ] - [ 0.0003969300000000, -0.0008212800000000, -0.0004683700000000 ] - [ 0.0000227300000000, -0.0003133000000000, 0.0001659300000000 ] - [ -0.0005281100000000, -0.0008737700000000, 0.0009973200000000 ] - [ -0.0001042000000000, -0.0000958200000000, -0.0006126300000000 ] - [ 0.0022890500000000, 0.0004992200000000, -0.0008514600000000 ] - [ 0.0002013800000000, 0.0003096800000000, 0.0002067000000000 ] - [ 0.0009382800000000, -0.0019444200000000, 0.0007213800000000 ] - [ -0.0000034600000000, -0.0004290900000000, -0.0001637300000000 ] - [ 0.0001679200000000, 0.0025161000000000, -0.0005002800000000 ] - [ -0.0000689600000000, 0.0005866700000000, -0.0000220100000000 ] - [ -0.0081321600000000, -0.0011309900000000, -0.0037141200000000 ] - [ -0.0000297400000000, 0.0000043700000000, -0.0008719100000000 ] - [ -0.0046140500000000, -0.0008713100000000, 0.0009353100000000 ] - [ -0.0001720400000000, -0.0001228800000000, 0.0006401800000000 ] - [ 0.0004685900000000, -0.0009844800000000, 0.0000436100000000 ] - [ 0.0000079600000000, -0.0003652100000000, 0.0000816300000000 ] - [ -0.0055645100000000, -0.0049787500000000, -0.0000740200000000 ] - [ -0.0004185200000000, 0.0000673000000000, -0.0003921200000000 ] - [ -0.0014711600000000, 0.0001082600000000, 0.0000188900000000 ] - [ -0.0006465500000000, -0.0001375000000000, 0.0002535700000000 ] - [ 0.0023391500000000, -0.0007590400000000, 0.0004861600000000 ] - [ 0.0014114900000000, -0.0003013000000000, 0.0004377800000000 ] - [ -0.0000669100000000, 0.0004214400000000, 0.0003744200000000 ] - [ -0.0001688500000000, 0.0001907800000000, 0.0004006500000000 ] - [ -0.0657472300000000, -0.0557530300000000, -0.0023247000000000 ] - [ -0.0002960500000000, -0.0004695000000000, -0.0003973000000000 ] - [ -0.0019455700000000, 0.0011022900000000, -0.0010690500000000 ] - [ -0.0010639500000000, 0.0005161800000000, 0.0005357100000000 ] - [ 0.0026665100000000, -0.0006310600000000, 0.0006277300000000 ] - [ 0.0010655300000000, -0.0002956600000000, 0.0003731700000000 ] - [ -0.0004275300000000, 0.0001721800000000, -0.0001794200000000 ] - [ -0.0001125600000000, 0.0002855000000000, -0.0001724400000000 ] - [ -0.0035749200000000, -0.0008667200000000, 0.0007865400000000 ] - [ -0.0012344500000000, -0.0002937100000000, 0.0000906200000000 ] - [ 0.0025507500000000, 0.0009710200000000, 0.0005461200000000 ] - [ 0.0009843000000000, 0.0004515400000000, 0.0003941000000000 ] - [ 0.0038649800000000, 0.0013807800000000, -0.0006673800000000 ] - [ 0.0002545700000000, 0.0003646700000000, -0.0004815900000000 ] - [ -0.0009559400000000, 0.0010206700000000, 0.0003305600000000 ] - [ -0.0005861100000000, 0.0007436600000000, 0.0004311100000000 ] - [ 0.0034432400000000, -0.0009083700000000, -0.0003241400000000 ] - [ 0.0001164700000000, -0.0003452800000000, -0.0004590800000000 ] - [ -0.0029965900000000, 0.0014301100000000, -0.0002096800000000 ] - [ -0.0000906600000000, 0.0000287500000000, -0.0001806800000000 ] - [ 0.0005422000000000, -0.0007189100000000, 0.0003896700000000 ] - [ 0.0004099500000000, -0.0004881100000000, 0.0003896500000000 ] - [ 0.0027117900000000, 0.0012154300000000, -0.0004445900000000 ] - [ 0.0007636600000000, 0.0000007700000000, -0.0004749200000000 ] - [ 0.0006594400000000, 0.0142735800000000, -0.0011020300000000 ] - [ 0.0002613500000000, 0.0003106500000000, -0.0003777100000000 ] - [ -0.0020086400000000, -0.0015727100000000, -0.0001634400000000 ] - [ -0.0004844300000000, -0.0003122200000000, -0.0001740000000000 ] - [ 0.0080749400000000, 0.0279710100000000, 0.0011696000000000 ] - [ 0.0000143900000000, -0.0000132100000000, 0.0003841200000000 ] - [ 0.1016472400000000, 0.0772928500000000, 0.0042970100000000 ] - [ 0.0006684900000000, 0.0002610600000000, 0.0002795300000000 ] - [ -0.0013229100000000, -0.0007985700000000, 0.0001429700000000 ] - [ -0.0005326800000000, -0.0005160300000000, -0.0001407000000000 ] - [ 0.0001875500000000, 0.0000509000000000, -0.0001000600000000 ] - [ 0.0000861200000000, 0.0002457900000000, -0.0002987400000000 ] - [ 0.0001233800000000, -0.0003283400000000, -0.0004886500000000 ] - [ 0.0000138500000000, -0.0001849200000000, -0.0002769100000000 ] - [ -0.0044499000000000, -0.0049625400000000, 0.0009221800000000 ] - [ -0.0002552800000000, 0.0000346200000000, 0.0002893000000000 ] - [ 0.0031788900000000, -0.0006959000000000, -0.0007629900000000 ] - [ 0.0014303300000000, -0.0004275600000000, -0.0000051800000000 ] - [ 0.0002378700000000, 0.0022843000000000, 0.0000971800000000 ] - [ 0.0000560400000000, -0.0002175000000000, 0.0002881700000000 ] - [ -0.0026410500000000, -0.0012818700000000, 0.0003290300000000 ] - [ -0.0006206900000000, -0.0000822400000000, 0.0000290300000000 ] - [ 0.0005801200000000, 0.0021988300000000, -0.0001311800000000 ] - [ 0.0003858600000000, 0.0003926700000000, 0.0002583300000000 ] - [ -0.0009181600000000, -0.0011451700000000, 0.0000501300000000 ] - [ -0.0005083800000000, -0.0004556500000000, 0.0000762600000000 ] - [ 0.0024622900000000, 0.0008972000000000, 0.0003526500000000 ] - [ 0.0003452500000000, 0.0003900900000000, 0.0003876000000000 ] - [ -0.0004933900000000, -0.0002634000000000, 0.0002118500000000 ] - [ -0.0000901400000000, -0.0003729400000000, 0.0002308900000000 ] - [ -0.0024476400000000, 0.0005362500000000, -0.0000199400000000 ] - [ -0.0008653900000000, 0.0004001300000000, -0.0000218800000000 ] - [ 0.0007414600000000, 0.0005310500000000, 0.0003723000000000 ] - [ 0.0003332300000000, -0.0001688400000000, 0.0003679400000000 ] - [ -0.0000395300000000, -0.0000200100000000, -0.0004054000000000 ] - [ -0.0000199400000000, -0.0000792300000000, -0.0003521600000000 ] - [ 0.0007051100000000, 0.0003445900000000, -0.0000468000000000 ] - [ 0.0004312400000000, 0.0001766100000000, -0.0006252900000000 ] - [ -0.0032189000000000, 0.0002521500000000, 0.0002653900000000 ] - [ 0.0003397100000000, -0.0000923000000000, 0.0000561600000000 ] - [ -0.0033900400000000, -0.0006134200000000, 0.0000230000000000 ] - [ -0.0001445200000000, -0.0003220700000000, 0.0000347800000000 ] - [ 0.0026686200000000, -0.0008074700000000, 0.0004144000000000 ] - [ 0.0011040100000000, -0.0004665300000000, -0.0005948000000000 ] - [ 0.0003060500000000, -0.0009656300000000, 0.0004070600000000 ] - [ -0.0002610400000000, -0.0002061600000000, 0.0003769600000000 ] - [ 0.0012021000000000, -0.0006559200000000, 0.0000849900000000 ] - [ 0.0006729100000000, -0.0000740400000000, -0.0005556700000000 ] - [ 0.0007793600000000, -0.0027903900000000, 0.0006555200000000 ] - [ -0.0001501700000000, -0.0000899200000000, 0.0002136500000000 ] - [ 0.0004690900000000, -0.0014451200000000, 0.0013239800000000 ] - [ 0.0005172500000000, -0.0006591300000000, -0.0009496500000000 ] - [ -0.0016218900000000, 0.0010141800000000, -0.0000369500000000 ] - [ -0.0000644200000000, 0.0004179800000000, 0.0000264000000000 ] - [ 0.0011210400000000, 0.0018910100000000, -0.0020538800000000 ] - [ 0.0003238200000000, 0.0005768200000000, 0.0004757100000000 ] - [ -0.0002387000000000, -0.0002041300000000, -0.0000498800000000 ] - [ -0.0001118900000000, 0.0000249600000000, -0.0004387300000000 ] - [ -0.0020214200000000, -0.0017033400000000, -0.0016888800000000 ] - [ -0.0002600200000000, -0.0003464300000000, 0.0005865700000000 ] - [ -0.0003597300000000, 0.0002711900000000, -0.0003794000000000 ] - [ -0.0003014400000000, 0.0000585200000000, -0.0002421200000000 ] - [ 0.0008306600000000, 0.0007593400000000, -0.0005118600000000 ] - [ 0.0001371200000000, 0.0003882000000000, -0.0003647200000000 ] - [ -0.0012147400000000, 0.0007419600000000, -0.0001224300000000 ] - [ -0.0007980800000000, 0.0005473700000000, -0.0000153000000000 ] - [ -0.0022973100000000, 0.0007488800000000, -0.0008530900000000 ] - [ -0.0012047300000000, 0.0002672800000000, 0.0004063800000000 ] - [ -0.0204804600000000, -0.0500504500000000, -0.0009499900000000 ] - [ 0.0002819200000000, -0.0000699000000000, 0.0003851600000000 ] - [ 0.0059812000000000, -0.0028422500000000, 0.0004575700000000 ] - [ 0.0001100400000000, 0.0000940700000000, 0.0003726400000000 ] - [ -0.0037191600000000, 0.0008831100000000, -0.0003069500000000 ] - [ -0.0004163400000000, 0.0005507200000000, 0.0000971500000000 ] - [ -0.0038427300000000, 0.0000274600000000, 0.0017648100000000 ] - [ -0.0012990800000000, -0.0003800200000000, -0.0008217600000000 ]- atom: 63 displacement: [ -0.0050000000040513, 0.0086602540355054, 0.0000000000000000 ] forces: - [ -0.0006694600000000, -0.0006713300000000, -0.0003859500000000 ] - [ -0.0002495700000000, -0.0000519100000000, 0.0001031500000000 ] - [ -0.0004386600000000, 0.0005179200000000, -0.0004364800000000 ] - [ -0.0000677200000000, 0.0002358700000000, 0.0000431100000000 ] - [ -0.0010408600000000, 0.0015163800000000, 0.0003251400000000 ] - [ -0.0000476500000000, 0.0002987700000000, -0.0001569300000000 ] - [ 0.0004335900000000, -0.0013443600000000, -0.0005083800000000 ] - [ 0.0000893900000000, -0.0005030300000000, 0.0000353500000000 ] - [ 0.0015346100000000, -0.0003344900000000, -0.0012948900000000 ] - [ 0.0001367300000000, -0.0001744100000000, 0.0002936000000000 ] - [ 0.0007314800000000, 0.0011832500000000, 0.0008844000000000 ] - [ 0.0001244500000000, 0.0002676800000000, -0.0006810200000000 ] - [ -0.0011268000000000, 0.0011603200000000, 0.0008421700000000 ] - [ -0.0000372400000000, 0.0003680900000000, -0.0001040200000000 ] - [ 0.0042606800000000, -0.0008808400000000, 0.0023901900000000 ] - [ 0.0000886600000000, -0.0002087700000000, -0.0003678900000000 ] - [ -0.0017053100000000, -0.0019599600000000, 0.0007343800000000 ] - [ -0.0003075700000000, -0.0000519100000000, -0.0001513700000000 ] - [ -0.0041752800000000, 0.0034044300000000, -0.0012360300000000 ] - [ 0.0000072500000000, 0.0003095000000000, 0.0001917200000000 ] - [ 0.0004522200000000, 0.0039821000000000, 0.0003550700000000 ] - [ 0.0001513400000000, 0.0002609900000000, 0.0007170800000000 ] - [ 0.0012312800000000, -0.0035386100000000, 0.0010979700000000 ] - [ 0.0000860300000000, -0.0006699900000000, -0.0001304300000000 ] - [ -0.0041748000000000, -0.0210795500000000, 0.0006300800000000 ] - [ -0.0002858300000000, 0.0001820000000000, -0.0003940400000000 ] - [ -0.0010428100000000, -0.0013057900000000, 0.0010425100000000 ] - [ -0.0004202800000000, -0.0006281400000000, -0.0002226100000000 ] - [ 0.0009073000000000, 0.0013434500000000, 0.0006079700000000 ] - [ 0.0006305400000000, 0.0008329000000000, 0.0004582200000000 ] - [ -0.0005007700000000, -0.0015153300000000, 0.0002971300000000 ] - [ -0.0003582800000000, -0.0007821700000000, 0.0004331600000000 ] - [ 0.0128256100000000, 0.2708839300000000, 0.0082135000000000 ] - [ -0.0000980300000000, 0.0001147800000000, -0.0003802400000000 ] - [ -0.0023018200000000, 0.0018263000000000, 0.0011430900000000 ] - [ -0.0010138000000000, 0.0011070500000000, -0.0001519500000000 ] - [ 0.0002369500000000, -0.0005189500000000, 0.0004277800000000 ] - [ -0.0000640100000000, -0.0004322100000000, 0.0005280700000000 ] - [ 0.0000911900000000, -0.0019796000000000, -0.0001999100000000 ] - [ -0.0000361400000000, 0.0000365500000000, -0.0001925900000000 ] - [ -0.0004258400000000, 0.0012151900000000, 0.0022055600000000 ] - [ 0.0000131200000000, 0.0008324800000000, -0.0004101600000000 ] - [ 0.0020382100000000, 0.0014042400000000, 0.0005963500000000 ] - [ 0.0007394100000000, 0.0006456200000000, 0.0003785600000000 ] - [ 0.0014356500000000, 0.0020390900000000, -0.0005725000000000 ] - [ 0.0000037400000000, 0.0005218700000000, -0.0004911100000000 ] - [ -0.0000906800000000, -0.0022910000000000, -0.0000436100000000 ] - [ -0.0001571200000000, -0.0005470200000000, 0.0006186900000000 ] - [ 0.0018137800000000, -0.0006184400000000, -0.0003878400000000 ] - [ -0.0000424000000000, -0.0002912600000000, -0.0004699500000000 ] - [ -0.0032265400000000, -0.0035396800000000, -0.0002455000000000 ] - [ 0.0000433100000000, -0.0002713900000000, -0.0001827000000000 ] - [ 0.0015069400000000, -0.0021222800000000, 0.0003272000000000 ] - [ 0.0008516800000000, -0.0011570500000000, 0.0004326000000000 ] - [ 0.0009840800000000, -0.0010434900000000, -0.0004882800000000 ] - [ 0.0005211000000000, -0.0002564000000000, -0.0004842700000000 ] - [ -0.0060864800000000, -0.0076450900000000, 0.0000245700000000 ] - [ 0.0001975800000000, 0.0003831200000000, -0.0003865700000000 ] - [ 0.0025091700000000, -0.0037975300000000, -0.0002557800000000 ] - [ -0.0002087200000000, -0.0004503500000000, -0.0001847400000000 ] - [ -0.0103848300000000, 0.0673286700000000, 0.0016660900000000 ] - [ -0.0000017700000000, -0.0002482000000000, 0.0003682500000000 ] - [ -0.0137399000000000, -0.3461247900000000, -0.0130581600000000 ] - [ 0.0003859400000000, -0.0001739200000000, 0.0003129200000000 ] - [ -0.0005970500000000, -0.0013894400000000, -0.0000531700000000 ] - [ -0.0001961800000000, -0.0008132000000000, -0.0000422400000000 ] - [ 0.0002581800000000, 0.0012479300000000, -0.0007553200000000 ] - [ 0.0001200100000000, 0.0006435800000000, 0.0000993300000000 ] - [ 0.0004464800000000, 0.0016804700000000, -0.0002846600000000 ] - [ 0.0001027700000000, 0.0007057900000000, -0.0004303700000000 ] - [ 0.0051652700000000, 0.0030130400000000, -0.0002733000000000 ] - [ -0.0002229100000000, 0.0001215100000000, 0.0002885900000000 ] - [ 0.0012812000000000, 0.0014514900000000, 0.0018783100000000 ] - [ 0.0006355300000000, 0.0002662200000000, -0.0010290200000000 ] - [ -0.0051714300000000, 0.0101697000000000, -0.0007624400000000 ] - [ -0.0000073700000000, -0.0002166700000000, 0.0002908400000000 ] - [ -0.0003902700000000, -0.0006034800000000, -0.0000088200000000 ] - [ -0.0004022400000000, -0.0000474700000000, 0.0000472900000000 ] - [ -0.0016229600000000, 0.0025232600000000, 0.0000069300000000 ] - [ 0.0002173900000000, 0.0004169300000000, 0.0002642100000000 ] - [ -0.0003727200000000, 0.0006823800000000, 0.0000433400000000 ] - [ -0.0004224300000000, -0.0002478600000000, 0.0000889900000000 ] - [ -0.0002248400000000, 0.0062261500000000, 0.0005084000000000 ] - [ 0.0001660900000000, 0.0005103600000000, 0.0003867800000000 ] - [ -0.0004002900000000, 0.0010361100000000, 0.0003291000000000 ] - [ -0.0000490900000000, -0.0002111800000000, 0.0002287300000000 ] - [ -0.0010027400000000, 0.0006356500000000, -0.0002492700000000 ] - [ -0.0001919700000000, 0.0004766300000000, 0.0001086300000000 ] - [ -0.0002066600000000, 0.0027502200000000, 0.0003757700000000 ] - [ 0.0002888700000000, -0.0000301500000000, 0.0003864100000000 ] - [ -0.0002263000000000, 0.0006166800000000, -0.0004343000000000 ] - [ -0.0001147600000000, 0.0002446600000000, -0.0003146900000000 ] - [ -0.0005507500000000, 0.0018978000000000, 0.0000746200000000 ] - [ -0.0000897200000000, 0.0008469800000000, -0.0006679800000000 ] - [ -0.0016710700000000, -0.0019985700000000, -0.0000965900000000 ] - [ 0.0004836200000000, -0.0003272500000000, 0.0000857200000000 ] - [ -0.0015127400000000, -0.0008406500000000, 0.0000595100000000 ] - [ 0.0000599500000000, -0.0003930700000000, 0.0000409600000000 ] - [ 0.0014223800000000, -0.0014510500000000, -0.0009264400000000 ] - [ 0.0005825000000000, -0.0008430000000000, -0.0002435900000000 ] - [ -0.0000168200000000, 0.0024276400000000, 0.0003657400000000 ] - [ -0.0003492100000000, 0.0000475400000000, 0.0003899200000000 ] - [ 0.0009610900000000, -0.0004569900000000, -0.0010994300000000 ] - [ 0.0005398800000000, -0.0001604000000000, 0.0000107100000000 ] - [ 0.0019801700000000, 0.0015583400000000, 0.0005310700000000 ] - [ -0.0001805300000000, 0.0002156000000000, 0.0002362500000000 ] - [ 0.0011226100000000, -0.0025922900000000, 0.0000083100000000 ] - [ 0.0005860700000000, -0.0011321000000000, -0.0004703100000000 ] - [ -0.0006114400000000, 0.0009619600000000, 0.0000177700000000 ] - [ 0.0000574900000000, 0.0004320300000000, 0.0000386400000000 ] - [ -0.0005657900000000, -0.0013206200000000, -0.0015994200000000 ] - [ -0.0003311100000000, -0.0007098900000000, 0.0001727300000000 ] - [ 0.0005391600000000, 0.0009094700000000, -0.0004995300000000 ] - [ 0.0001866500000000, 0.0005573700000000, -0.0001551400000000 ] - [ 0.0003470100000000, 0.0006104400000000, -0.0002359500000000 ] - [ 0.0005709900000000, 0.0003887000000000, -0.0000936300000000 ] - [ -0.0012844100000000, 0.0008970800000000, -0.0007424700000000 ] - [ -0.0006893800000000, 0.0003097300000000, -0.0000156700000000 ] - [ 0.0001824300000000, 0.0000804100000000, -0.0017363300000000 ] - [ -0.0001601100000000, -0.0001215900000000, 0.0002033500000000 ] - [ -0.0009050300000000, -0.0005196200000000, -0.0006008200000000 ] - [ -0.0006252700000000, -0.0001158000000000, 0.0002663200000000 ] - [ -0.0000729300000000, -0.0004386100000000, 0.0002310200000000 ] - [ -0.0002406000000000, -0.0002117900000000, -0.0001823100000000 ] - [ 0.0230233600000000, 0.0096336500000000, 0.0004908100000000 ] - [ 0.0001183800000000, -0.0002844800000000, 0.0003763500000000 ] - [ 0.0055784800000000, 0.0051472000000000, -0.0000225700000000 ] - [ 0.0000813500000000, 0.0000490300000000, 0.0003817500000000 ] - [ -0.0022941400000000, -0.0005834800000000, -0.0005326700000000 ] - [ -0.0003809900000000, 0.0004203400000000, 0.0001129300000000 ] - [ -0.0039676800000000, 0.0004794300000000, 0.0019193000000000 ] - [ -0.0013195000000000, -0.0002221400000000, -0.0008566600000000 ]- atom: 63 displacement: [ 0.0050000000040513, -0.0086602540355054, 0.0000000000000000 ] forces: - [ 0.0005367900000000, 0.0009070400000000, 0.0003874000000000 ] - [ 0.0001146600000000, 0.0002862700000000, -0.0001023200000000 ] - [ 0.0002850200000000, -0.0002560700000000, 0.0004356900000000 ] - [ -0.0000836300000000, 0.0000253600000000, -0.0000435300000000 ] - [ 0.0013410100000000, -0.0015091600000000, -0.0003260700000000 ] - [ 0.0003477800000000, -0.0002984700000000, 0.0001615900000000 ] - [ -0.0005810400000000, 0.0010886000000000, 0.0005142500000000 ] - [ -0.0002380500000000, 0.0002431500000000, -0.0000379200000000 ] - [ -0.0016791900000000, 0.0000934800000000, 0.0013031600000000 ] - [ -0.0002721300000000, -0.0000631900000000, -0.0002942500000000 ] - [ -0.0005056200000000, -0.0011603200000000, -0.0009258900000000 ] - [ 0.0001429900000000, -0.0002661800000000, 0.0006758200000000 ] - [ 0.0008982400000000, -0.0007732300000000, -0.0008404100000000 ] - [ -0.0001854600000000, 0.0000168400000000, 0.0001041700000000 ] - [ -0.0044822100000000, 0.0005223400000000, -0.0024063500000000 ] - [ -0.0002872400000000, -0.0001386700000000, 0.0003689400000000 ] - [ 0.0015111000000000, 0.0023093300000000, -0.0007372400000000 ] - [ 0.0001101100000000, 0.0003989900000000, 0.0001508200000000 ] - [ 0.0045891900000000, -0.0033717100000000, 0.0012249100000000 ] - [ 0.0004359100000000, -0.0003112300000000, -0.0001997300000000 ] - [ -0.0002803400000000, -0.0038960000000000, -0.0001716700000000 ] - [ 0.0002429200000000, -0.0002598800000000, -0.0007144700000000 ] - [ -0.0014446100000000, 0.0031619500000000, -0.0011064900000000 ] - [ -0.0003071100000000, 0.0002852200000000, 0.0001322700000000 ] - [ 0.0036403400000000, 0.0214955100000000, -0.0014157000000000 ] - [ -0.0003333100000000, 0.0001491000000000, -0.0003818300000000 ] - [ 0.0009764500000000, 0.0007581600000000, -0.0006978000000000 ] - [ 0.0003507100000000, 0.0000834200000000, 0.0005729400000000 ] - [ -0.0000712800000000, -0.0011615000000000, 0.0003421800000000 ] - [ 0.0002002200000000, -0.0006508500000000, 0.0004914500000000 ] - [ -0.0001392600000000, 0.0011696300000000, 0.0004793800000000 ] - [ -0.0002784100000000, 0.0004393200000000, 0.0003446700000000 ] - [ -0.0175212500000000, -0.2851773900000000, -0.0095564600000000 ] - [ 0.0001169600000000, -0.0008355500000000, -0.0003960200000000 ] - [ 0.0018500400000000, -0.0014940200000000, -0.0007921200000000 ] - [ 0.0005770900000000, -0.0007691600000000, 0.0004995700000000 ] - [ -0.0004461600000000, -0.0002917200000000, 0.0005230100000000 ] - [ -0.0001577900000000, -0.0003731400000000, 0.0004217400000000 ] - [ -0.0001835700000000, 0.0025188800000000, -0.0001489000000000 ] - [ -0.0000491600000000, 0.0005082700000000, -0.0001561100000000 ] - [ 0.0009438700000000, -0.0010442700000000, -0.0018620700000000 ] - [ 0.0004982700000000, -0.0006424500000000, 0.0007592600000000 ] - [ -0.0025835400000000, -0.0007934400000000, 0.0003538500000000 ] - [ -0.0012964800000000, -0.0000380300000000, 0.0005716500000000 ] - [ -0.0016702400000000, -0.0012315800000000, -0.0003784600000000 ] - [ -0.0002511300000000, 0.0002864600000000, -0.0004600400000000 ] - [ 0.0000985800000000, 0.0030133900000000, 0.0008171600000000 ] - [ 0.0001679300000000, 0.0012737600000000, 0.0001595700000000 ] - [ -0.0023817600000000, 0.0000155200000000, -0.0005627600000000 ] - [ -0.0005372700000000, -0.0003120000000000, -0.0004815600000000 ] - [ 0.0036981800000000, 0.0033317500000000, -0.0001032900000000 ] - [ 0.0004613000000000, 0.0000693500000000, -0.0001665100000000 ] - [ -0.0009127700000000, 0.0017499200000000, 0.0004481200000000 ] - [ -0.0002560000000000, 0.0007873200000000, 0.0003450600000000 ] - [ -0.0001635200000000, 0.0008681200000000, -0.0004616000000000 ] - [ 0.0002893700000000, 0.0000702300000000, -0.0004661900000000 ] - [ 0.0067248500000000, 0.0079087000000000, -0.0007988800000000 ] - [ 0.0004185000000000, -0.0000084900000000, -0.0003900400000000 ] - [ -0.0029399400000000, 0.0034514500000000, -0.0000935700000000 ] - [ -0.0002280200000000, 0.0001158600000000, -0.0001644900000000 ] - [ 0.0103356700000000, -0.0688092300000000, -0.0009618000000000 ] - [ -0.0002239400000000, 0.0001316000000000, 0.0003875400000000 ] - [ 0.0191308300000000, 0.3609189400000000, 0.0141423100000000 ] - [ 0.0001826100000000, 0.0004926400000000, 0.0002619900000000 ] - [ 0.0009349600000000, 0.0006949100000000, -0.0000164700000000 ] - [ 0.0005401000000000, 0.0001194500000000, -0.0000275300000000 ] - [ -0.0001814900000000, -0.0005461000000000, 0.0002965100000000 ] - [ -0.0000404600000000, 0.0000563700000000, -0.0005638600000000 ] - [ -0.0006678300000000, -0.0015658900000000, -0.0004708800000000 ] - [ -0.0003254700000000, -0.0005931900000000, -0.0003248700000000 ] - [ -0.0057272700000000, -0.0026531900000000, 0.0008460000000000 ] - [ -0.0003529700000000, 0.0002091700000000, 0.0002863800000000 ] - [ -0.0006864800000000, -0.0017911800000000, -0.0024460000000000 ] - [ -0.0000529700000000, -0.0006058900000000, 0.0004602100000000 ] - [ 0.0051819000000000, -0.0109141400000000, 0.0013440600000000 ] - [ -0.0000176200000000, -0.0004387100000000, 0.0002822600000000 ] - [ -0.0003955900000000, 0.0005545600000000, 0.0000800800000000 ] - [ -0.0003708300000000, 0.0000016600000000, 0.0000228200000000 ] - [ 0.0021849800000000, -0.0020999500000000, 0.0004522600000000 ] - [ 0.0003484300000000, 0.0000022500000000, 0.0001982800000000 ] - [ -0.0003822400000000, -0.0014741400000000, 0.0001067000000000 ] - [ -0.0003282500000000, -0.0005372600000000, 0.0000616900000000 ] - [ 0.0004204600000000, -0.0054437600000000, 0.0002387000000000 ] - [ 0.0000261500000000, 0.0002124800000000, 0.0003616500000000 ] - [ 0.0004862700000000, -0.0017187600000000, 0.0001330900000000 ] - [ 0.0001306900000000, -0.0004753800000000, 0.0002339200000000 ] - [ 0.0013945300000000, 0.0000231800000000, 0.0001812000000000 ] - [ 0.0005974300000000, 0.0001804000000000, -0.0001788600000000 ] - [ 0.0007412300000000, -0.0032686600000000, 0.0003752200000000 ] - [ 0.0002435500000000, -0.0004987300000000, 0.0003644500000000 ] - [ 0.0002406300000000, -0.0008674100000000, -0.0003202400000000 ] - [ 0.0001284400000000, -0.0004984000000000, -0.0004415200000000 ] - [ 0.0007624500000000, -0.0017593900000000, -0.0008273800000000 ] - [ 0.0003019100000000, -0.0007107800000000, -0.0000888500000000 ] - [ 0.0027192600000000, 0.0017588300000000, 0.0002481600000000 ] - [ 0.0005739800000000, 0.0000751000000000, 0.0000654200000000 ] - [ 0.0019348000000000, 0.0001857000000000, 0.0000096700000000 ] - [ 0.0003707500000000, -0.0002619500000000, 0.0000281900000000 ] - [ -0.0012380300000000, 0.0007424600000000, 0.0001595500000000 ] - [ -0.0004075600000000, 0.0001217700000000, -0.0005011500000000 ] - [ -0.0006879400000000, -0.0026372500000000, 0.0003835700000000 ] - [ -0.0003639600000000, -0.0002609700000000, 0.0003594400000000 ] - [ -0.0004275500000000, 0.0009887300000000, 0.0003512100000000 ] - [ -0.0000091700000000, 0.0006878400000000, -0.0007591500000000 ] - [ -0.0025944700000000, -0.0012787200000000, -0.0000632500000000 ] - [ -0.0004535600000000, 0.0000749500000000, 0.0002274700000000 ] - [ -0.0005455500000000, 0.0021767200000000, -0.0004704400000000 ] - [ -0.0000154100000000, 0.0007248100000000, 0.0000056300000000 ] - [ 0.0009676600000000, -0.0002742100000000, 0.0000507100000000 ] - [ 0.0003023300000000, 0.0002548900000000, 0.0000308500000000 ] - [ -0.0000726400000000, 0.0010653200000000, 0.0011293300000000 ] - [ -0.0003033000000000, 0.0004418200000000, -0.0006337700000000 ] - [ -0.0005440200000000, -0.0002579000000000, -0.0000736300000000 ] - [ -0.0001933400000000, 0.0000914900000000, -0.0004180600000000 ] - [ 0.0006841200000000, -0.0003655500000000, 0.0000690600000000 ] - [ 0.0004758300000000, -0.0001338400000000, -0.0000515400000000 ] - [ 0.0007318200000000, -0.0012454500000000, 0.0001749100000000 ] - [ 0.0001353300000000, -0.0006594300000000, -0.0005587100000000 ] - [ -0.0009082900000000, 0.0001255700000000, 0.0009964800000000 ] - [ -0.0005642100000000, 0.0003199800000000, -0.0009570500000000 ] - [ 0.0001553900000000, 0.0013125200000000, 0.0004514400000000 ] - [ -0.0001232900000000, 0.0009115500000000, -0.0004181100000000 ] - [ -0.0007230600000000, 0.0004939300000000, -0.0003031200000000 ] - [ -0.0005495600000000, 0.0002618500000000, 0.0001154000000000 ] - [ -0.0227871600000000, -0.0094021700000000, 0.0002615100000000 ] - [ 0.0000931200000000, 0.0001485700000000, 0.0003795100000000 ] - [ -0.0056478400000000, -0.0048967300000000, 0.0007792100000000 ] - [ -0.0000664100000000, 0.0001997700000000, 0.0003735600000000 ] - [ 0.0019809200000000, 0.0016198600000000, 0.0006774500000000 ] - [ 0.0000765400000000, 0.0006213600000000, 0.0000380100000000 ] - [ 0.0036371200000000, -0.0015137300000000, -0.0020550600000000 ] - [ 0.0010066800000000, -0.0008199200000000, 0.0007003300000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000140800000000, 0.0003393900000000, 0.0004086200000000 ] - [ -0.0000668000000000, -0.0000047700000000, -0.0005441700000000 ] - [ -0.0003347900000000, -0.0000289700000000, 0.0003741200000000 ] - [ 0.0000269400000000, 0.0002193900000000, -0.0005039500000000 ] - [ -0.0004003900000000, -0.0000960000000000, 0.0025480400000000 ] - [ -0.0000446900000000, -0.0000811400000000, -0.0012674300000000 ] - [ -0.0001665800000000, -0.0000207800000000, 0.0004036100000000 ] - [ -0.0000711800000000, -0.0002240100000000, -0.0005232200000000 ] - [ 0.0003588000000000, -0.0005386500000000, 0.0003224400000000 ] - [ -0.0002199400000000, 0.0000311300000000, -0.0005573300000000 ] - [ -0.0012411000000000, 0.0006992500000000, 0.0005771400000000 ] - [ 0.0003627700000000, -0.0000828200000000, -0.0010958800000000 ] - [ -0.0000136400000000, 0.0005911500000000, 0.0010444000000000 ] - [ -0.0002760400000000, 0.0000314600000000, -0.0007553400000000 ] - [ -0.0002286700000000, 0.0004667800000000, 0.0012995300000000 ] - [ 0.0001205000000000, -0.0003996600000000, -0.0008343900000000 ] - [ -0.0001698600000000, -0.0005328200000000, 0.0011130000000000 ] - [ -0.0001272200000000, 0.0003862300000000, -0.0008014700000000 ] - [ 0.0046565900000000, 0.0016575500000000, 0.0082476800000000 ] - [ 0.0003993000000000, 0.0000510500000000, -0.0020596100000000 ] - [ 0.0001526600000000, 0.0004621900000000, 0.0054468500000000 ] - [ -0.0000275600000000, 0.0000703700000000, -0.0017467000000000 ] - [ 0.0000130900000000, -0.0007845600000000, 0.0010223200000000 ] - [ -0.0001010600000000, -0.0000218900000000, -0.0007627900000000 ] - [ -0.0003801200000000, -0.0017616800000000, -0.0033652800000000 ] - [ -0.0003148500000000, 0.0001461500000000, -0.0006443500000000 ] - [ 0.0001690600000000, 0.0008316200000000, 0.0003562600000000 ] - [ -0.0001662300000000, -0.0009617700000000, 0.0000135100000000 ] - [ -0.0000533800000000, 0.0012105600000000, 0.0006158100000000 ] - [ 0.0007926500000000, -0.0006604200000000, 0.0004124900000000 ] - [ -0.0003694500000000, -0.0011060300000000, 0.0004470100000000 ] - [ -0.0002699200000000, 0.0004354200000000, 0.0003210000000000 ] - [ 0.0014595900000000, 0.0086599200000000, 0.0551914600000000 ] - [ -0.0000007300000000, -0.0003748800000000, -0.0008013700000000 ] - [ 0.0026479800000000, 0.0023822100000000, 0.0005235400000000 ] - [ -0.0010805000000000, -0.0007701100000000, -0.0001749300000000 ] - [ -0.0013274800000000, -0.0001163000000000, 0.0004542200000000 ] - [ 0.0006919900000000, -0.0003934600000000, 0.0003056800000000 ] - [ -0.0000566400000000, 0.0002994900000000, 0.0000498300000000 ] - [ -0.0000457400000000, 0.0002755300000000, -0.0003473300000000 ] - [ -0.0012689200000000, 0.0034560000000000, -0.0003956300000000 ] - [ 0.0005812500000000, -0.0010960900000000, -0.0004019800000000 ] - [ 0.0006902300000000, 0.0010274600000000, 0.0006428600000000 ] - [ -0.0008810100000000, -0.0000166900000000, 0.0004882400000000 ] - [ -0.0001339400000000, 0.0006031400000000, -0.0000358700000000 ] - [ -0.0001084000000000, 0.0004185400000000, -0.0007261200000000 ] - [ 0.0004628500000000, -0.0028393700000000, 0.0005457000000000 ] - [ -0.0001743500000000, 0.0019544900000000, 0.0002206800000000 ] - [ -0.0001961200000000, -0.0003541300000000, -0.0002344400000000 ] - [ -0.0003014500000000, -0.0003053900000000, -0.0006988500000000 ] - [ 0.0006551100000000, -0.0000706900000000, 0.0002080300000000 ] - [ 0.0002421000000000, -0.0000697400000000, -0.0004292400000000 ] - [ 0.0007025800000000, -0.0012372300000000, 0.0004738700000000 ] - [ 0.0000568700000000, 0.0004924600000000, 0.0003081000000000 ] - [ 0.0003129600000000, -0.0002793500000000, -0.0002357100000000 ] - [ 0.0004186000000000, -0.0001068400000000, -0.0007208300000000 ] - [ -0.0003983700000000, -0.0015453700000000, -0.0033830800000000 ] - [ 0.0003147600000000, 0.0001687100000000, -0.0006549900000000 ] - [ -0.0007341000000000, -0.0002379200000000, 0.0001254000000000 ] - [ -0.0002241100000000, -0.0001474100000000, -0.0004094500000000 ] - [ -0.0012632300000000, 0.0044828400000000, -0.0136718200000000 ] - [ -0.0001152400000000, -0.0000403500000000, 0.0007365300000000 ] - [ -0.0042841600000000, -0.0195159900000000, -0.0428378100000000 ] - [ 0.0002907600000000, 0.0001879700000000, 0.0011778700000000 ] - [ 0.0001285800000000, -0.0009524800000000, -0.0001096000000000 ] - [ 0.0001731800000000, -0.0000074000000000, 0.0000236300000000 ] - [ 0.0000099300000000, -0.0002803400000000, -0.0003700400000000 ] - [ 0.0000538600000000, 0.0007507400000000, -0.0000873800000000 ] - [ 0.0003162200000000, 0.0016205500000000, -0.0004948000000000 ] - [ -0.0003087000000000, -0.0007836400000000, -0.0002603400000000 ] - [ 0.0006134100000000, 0.0009051200000000, 0.0004752400000000 ] - [ -0.0002871600000000, 0.0001637600000000, 0.0007850100000000 ] - [ -0.0001995300000000, 0.0026250000000000, 0.0018052300000000 ] - [ 0.0005677200000000, -0.0011817200000000, 0.0011244700000000 ] - [ -0.0005927900000000, 0.0007656100000000, 0.0004741700000000 ] - [ -0.0000140600000000, -0.0003248600000000, 0.0007840600000000 ] - [ -0.0000921800000000, 0.0000016000000000, -0.0012243600000000 ] - [ -0.0003937000000000, -0.0000285400000000, 0.0004023600000000 ] - [ 0.0004227800000000, 0.0007248100000000, -0.0014393100000000 ] - [ 0.0002793600000000, 0.0001789600000000, 0.0008273800000000 ] - [ -0.0003571900000000, -0.0002472000000000, -0.0005107100000000 ] - [ -0.0003798300000000, -0.0003948200000000, 0.0005649200000000 ] - [ 0.0001715200000000, 0.0000944500000000, -0.0010611300000000 ] - [ 0.0001030500000000, 0.0003476800000000, 0.0007366700000000 ] - [ 0.0000540100000000, -0.0003795600000000, -0.0003126000000000 ] - [ 0.0000373900000000, -0.0003247600000000, 0.0007000200000000 ] - [ 0.0003579400000000, 0.0004614500000000, -0.0002397800000000 ] - [ 0.0000426200000000, 0.0001974300000000, -0.0001028000000000 ] - [ 0.0003408100000000, -0.0002098000000000, 0.0002415600000000 ] - [ 0.0002718100000000, -0.0002782000000000, 0.0005717800000000 ] - [ -0.0000450100000000, 0.0003386500000000, -0.0004414700000000 ] - [ 0.0000240700000000, -0.0004178600000000, -0.0003256300000000 ] - [ -0.0007018800000000, 0.0015202900000000, -0.0003577400000000 ] - [ 0.0004668300000000, -0.0007310500000000, -0.0001609000000000 ] - [ 0.0005027700000000, -0.0005196300000000, -0.0018228600000000 ] - [ 0.0004900300000000, -0.0001092800000000, 0.0007120800000000 ] - [ 0.0001540700000000, -0.0003806100000000, -0.0000652700000000 ] - [ 0.0002147300000000, -0.0003232000000000, 0.0002467900000000 ] - [ -0.0010725200000000, -0.0031528400000000, 0.0026025700000000 ] - [ 0.0003799500000000, 0.0003724800000000, 0.0006795900000000 ] - [ -0.0004213300000000, -0.0000389000000000, 0.0002602600000000 ] - [ -0.0003519100000000, -0.0001347200000000, 0.0005635600000000 ] - [ 0.0000025000000000, -0.0012325300000000, -0.0007156700000000 ] - [ 0.0003337200000000, 0.0009237500000000, -0.0002688300000000 ] - [ -0.0006218500000000, 0.0006493000000000, -0.0019213800000000 ] - [ -0.0002940800000000, 0.0000956200000000, 0.0009075500000000 ] - [ -0.0011649800000000, -0.0009825300000000, -0.0000614800000000 ] - [ 0.0008333400000000, 0.0002212000000000, 0.0004348500000000 ] - [ 0.0002220600000000, 0.0003793400000000, -0.0002480700000000 ] - [ 0.0001786000000000, 0.0003445900000000, 0.0002964200000000 ] - [ 0.0007724900000000, -0.0017652900000000, 0.0008891300000000 ] - [ -0.0006176000000000, 0.0005679200000000, 0.0008302300000000 ] - [ 0.0002083800000000, 0.0007226200000000, -0.0003718900000000 ] - [ -0.0001370100000000, 0.0000716000000000, -0.0001819800000000 ] - [ 0.0018999400000000, 0.0014512300000000, 0.0011294900000000 ] - [ -0.0001195300000000, -0.0004323200000000, 0.0008784200000000 ] - [ -0.0006427100000000, 0.0001435900000000, -0.0003807300000000 ] - [ -0.0000464000000000, -0.0003566200000000, -0.0001563300000000 ] - [ -0.0004642900000000, -0.0016858900000000, -0.0007720500000000 ] - [ -0.0002582700000000, 0.0008680800000000, -0.0002461200000000 ] - [ -0.0002575500000000, -0.0002761700000000, -0.0002105100000000 ] - [ -0.0004671300000000, 0.0008444900000000, 0.0000932300000000 ] - [ 0.0006338500000000, -0.0005937100000000, 0.0004824900000000 ] - [ -0.0010234400000000, 0.0003465900000000, 0.0005053700000000 ] - [ 0.0028552300000000, 0.0036058400000000, -0.0145065700000000 ] - [ 0.0001217700000000, -0.0000555400000000, 0.0007507200000000 ] - [ 0.0002172100000000, 0.0008798200000000, 0.0010384500000000 ] - [ 0.0000080100000000, 0.0001402800000000, 0.0006127900000000 ] - [ -0.0004486000000000, 0.0002667000000000, -0.0017492100000000 ] - [ -0.0001235100000000, 0.0005238700000000, 0.0007101100000000 ] - [ -0.0021319200000000, 0.0000164000000000, 0.0013331600000000 ] - [ 0.0006449600000000, -0.0007646200000000, 0.0008992800000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001245500000000, -0.0001161500000000, -0.0004162300000000 ] - [ -0.0000690800000000, 0.0002361600000000, 0.0005460400000000 ] - [ 0.0001781500000000, 0.0002929700000000, -0.0003829700000000 ] - [ -0.0001779200000000, 0.0000417200000000, 0.0005060800000000 ] - [ 0.0007980800000000, 0.0001456600000000, -0.0026476500000000 ] - [ 0.0003442000000000, 0.0000809400000000, 0.0012644300000000 ] - [ 0.0000194200000000, -0.0002466500000000, -0.0004109400000000 ] - [ -0.0000778700000000, -0.0000362300000000, 0.0005247600000000 ] - [ -0.0004877400000000, 0.0003068600000000, -0.0003334700000000 ] - [ 0.0000836200000000, -0.0002658200000000, 0.0005590800000000 ] - [ 0.0014745400000000, -0.0006786000000000, -0.0006223000000000 ] - [ -0.0000903200000000, 0.0000825900000000, 0.0010946300000000 ] - [ -0.0002245500000000, -0.0002013900000000, -0.0010323800000000 ] - [ 0.0000549400000000, 0.0003532600000000, 0.0007540600000000 ] - [ 0.0000506900000000, -0.0008080200000000, -0.0012805600000000 ] - [ -0.0003212200000000, 0.0000562400000000, 0.0008328400000000 ] - [ -0.0000359200000000, 0.0008562200000000, -0.0011016500000000 ] - [ -0.0000723000000000, -0.0000442300000000, 0.0008008200000000 ] - [ -0.0039650800000000, -0.0015354000000000, -0.0081214400000000 ] - [ 0.0000416100000000, -0.0000515500000000, 0.0020679400000000 ] - [ 0.0000908400000000, -0.0003744900000000, -0.0053568700000000 ] - [ 0.0004292100000000, -0.0000700100000000, 0.0017518300000000 ] - [ -0.0002296100000000, 0.0003822000000000, -0.0010121600000000 ] - [ -0.0001199600000000, -0.0003639300000000, 0.0007617100000000 ] - [ -0.0002426300000000, 0.0019623300000000, 0.0025983700000000 ] - [ -0.0003045100000000, 0.0001891200000000, -0.0001320300000000 ] - [ -0.0002408200000000, -0.0013742200000000, -0.0000000200000000 ] - [ 0.0000958100000000, 0.0004209400000000, 0.0003322600000000 ] - [ 0.0008745100000000, -0.0010171500000000, 0.0003349400000000 ] - [ 0.0000280600000000, 0.0008520200000000, 0.0005369700000000 ] - [ -0.0002665100000000, 0.0007517800000000, 0.0003307400000000 ] - [ -0.0003640800000000, -0.0007866800000000, 0.0004556400000000 ] - [ -0.0010396100000000, -0.0071181300000000, -0.0557804700000000 ] - [ 0.0000212300000000, -0.0003410300000000, 0.0000250600000000 ] - [ -0.0030552300000000, -0.0020254000000000, -0.0001609700000000 ] - [ 0.0006570600000000, 0.0011204200000000, 0.0005217800000000 ] - [ 0.0010831200000000, -0.0006856700000000, 0.0004947700000000 ] - [ -0.0009365100000000, -0.0004085300000000, 0.0006457300000000 ] - [ -0.0000260900000000, 0.0002432600000000, -0.0003987000000000 ] - [ -0.0000381100000000, 0.0002686200000000, -0.0000017700000000 ] - [ 0.0017742000000000, -0.0032227900000000, 0.0007474000000000 ] - [ -0.0000691800000000, 0.0013102100000000, 0.0007525100000000 ] - [ -0.0012478900000000, -0.0004186200000000, 0.0003083600000000 ] - [ 0.0003242600000000, 0.0006264400000000, 0.0004611300000000 ] - [ -0.0001206700000000, 0.0002168700000000, -0.0009168000000000 ] - [ -0.0001458900000000, 0.0003880600000000, -0.0002249100000000 ] - [ -0.0004415800000000, 0.0035378200000000, 0.0002330200000000 ] - [ 0.0001932500000000, -0.0012479100000000, 0.0005562700000000 ] - [ -0.0003802800000000, -0.0002500100000000, -0.0007177200000000 ] - [ -0.0002744300000000, -0.0003004600000000, -0.0002525200000000 ] - [ -0.0001374900000000, -0.0001394500000000, -0.0005571900000000 ] - [ 0.0002664700000000, -0.0001360200000000, 0.0000802700000000 ] - [ -0.0000999000000000, 0.0008590700000000, 0.0003033200000000 ] - [ 0.0005441100000000, -0.0008695400000000, 0.0004682200000000 ] - [ 0.0004883800000000, 0.0000858700000000, -0.0007157400000000 ] - [ 0.0003875500000000, -0.0000768200000000, -0.0002293600000000 ] - [ 0.0009639800000000, 0.0017945400000000, 0.0026132400000000 ] - [ 0.0003009700000000, 0.0002084000000000, -0.0001221200000000 ] - [ 0.0002910200000000, -0.0001053400000000, -0.0004742300000000 ] - [ -0.0002096100000000, -0.0001884300000000, 0.0000601500000000 ] - [ 0.0009743800000000, -0.0042583000000000, 0.0144624300000000 ] - [ -0.0001116800000000, -0.0000802500000000, 0.0000186600000000 ] - [ 0.0041923800000000, 0.0167732000000000, 0.0430748500000000 ] - [ 0.0002742800000000, 0.0001218400000000, -0.0006055900000000 ] - [ 0.0002148700000000, 0.0002604000000000, 0.0000383600000000 ] - [ 0.0001714600000000, -0.0006866500000000, -0.0000926500000000 ] - [ 0.0000710100000000, 0.0009843300000000, -0.0000986200000000 ] - [ 0.0000276700000000, -0.0000490900000000, -0.0003714900000000 ] - [ -0.0005406400000000, -0.0014922600000000, -0.0002626700000000 ] - [ 0.0000834900000000, 0.0009079600000000, -0.0004955900000000 ] - [ -0.0011252300000000, -0.0005253600000000, 0.0000903000000000 ] - [ -0.0002841700000000, 0.0001698500000000, -0.0002122100000000 ] - [ 0.0007685800000000, -0.0029291000000000, -0.0023639900000000 ] - [ 0.0000034700000000, 0.0008618400000000, -0.0017041800000000 ] - [ 0.0005273200000000, -0.0013519900000000, 0.0000892400000000 ] - [ -0.0000148800000000, -0.0003285900000000, -0.0002131700000000 ] - [ -0.0006673300000000, -0.0000475300000000, 0.0012922700000000 ] - [ -0.0003729300000000, -0.0000174900000000, -0.0003338400000000 ] - [ 0.0001470900000000, -0.0002952700000000, 0.0018997100000000 ] - [ 0.0002868400000000, 0.0002430600000000, -0.0003671800000000 ] - [ -0.0003878900000000, -0.0005397300000000, 0.0006597800000000 ] - [ -0.0003668300000000, -0.0004002000000000, -0.0004173700000000 ] - [ 0.0000176000000000, 0.0006244200000000, 0.0018102500000000 ] - [ 0.0000869100000000, 0.0003793300000000, 0.0000104500000000 ] - [ 0.0000278400000000, -0.0003076300000000, 0.0007744200000000 ] - [ 0.0000442800000000, -0.0003641600000000, -0.0002390600000000 ] - [ 0.0000559400000000, 0.0001944200000000, 0.0001683800000000 ] - [ 0.0003722000000000, 0.0004574100000000, 0.0000350100000000 ] - [ 0.0001915900000000, -0.0003160400000000, 0.0005088800000000 ] - [ 0.0002617700000000, -0.0002508900000000, 0.0001784200000000 ] - [ 0.0000540300000000, -0.0005888300000000, -0.0003160500000000 ] - [ -0.0000134100000000, 0.0001654400000000, -0.0004293800000000 ] - [ 0.0009030300000000, -0.0013704400000000, -0.0003991500000000 ] - [ -0.0002608200000000, 0.0008790100000000, -0.0005954000000000 ] - [ 0.0005549000000000, 0.0002593700000000, 0.0019721800000000 ] - [ 0.0005786300000000, -0.0001378600000000, -0.0005639800000000 ] - [ 0.0002802000000000, -0.0002735200000000, 0.0001343300000000 ] - [ 0.0002184000000000, -0.0003288000000000, -0.0001787800000000 ] - [ 0.0012313000000000, 0.0023943600000000, -0.0033163700000000 ] - [ -0.0002115900000000, -0.0011072500000000, -0.0014347100000000 ] - [ -0.0002977600000000, -0.0001686700000000, 0.0004884000000000 ] - [ -0.0003645100000000, -0.0000775900000000, 0.0001849700000000 ] - [ 0.0005299900000000, 0.0017489700000000, -0.0000419900000000 ] - [ 0.0001981900000000, -0.0004021100000000, -0.0004767100000000 ] - [ -0.0000209900000000, -0.0003466300000000, 0.0023845900000000 ] - [ -0.0003438500000000, 0.0002003000000000, -0.0004461300000000 ] - [ 0.0017284200000000, 0.0005703700000000, -0.0004113500000000 ] - [ -0.0002657800000000, -0.0006323900000000, -0.0008979100000000 ] - [ 0.0001408600000000, 0.0003083700000000, 0.0003175000000000 ] - [ 0.0001803000000000, 0.0003405700000000, -0.0002282800000000 ] - [ -0.0014041000000000, 0.0014731600000000, -0.0013514200000000 ] - [ -0.0000177400000000, -0.0008525300000000, -0.0012980700000000 ] - [ -0.0002166300000000, -0.0000703900000000, -0.0002051300000000 ] - [ 0.0001265000000000, 0.0005775200000000, -0.0003877200000000 ] - [ -0.0008298100000000, -0.0011911900000000, -0.0012736600000000 ] - [ 0.0011890700000000, 0.0006893700000000, -0.0010350400000000 ] - [ 0.0000886200000000, -0.0004913600000000, -0.0001949300000000 ] - [ -0.0005061400000000, 0.0000067500000000, -0.0004120700000000 ] - [ -0.0002624700000000, 0.0018696800000000, 0.0000106700000000 ] - [ -0.0004692700000000, -0.0006796600000000, -0.0005014800000000 ] - [ -0.0004890400000000, 0.0010692600000000, 0.0000556800000000 ] - [ -0.0002785100000000, -0.0000464300000000, -0.0002399100000000 ] - [ -0.0014097100000000, 0.0006404500000000, -0.0005487700000000 ] - [ 0.0002486200000000, -0.0003018700000000, -0.0005791600000000 ] - [ -0.0024384300000000, -0.0034404700000000, 0.0152970000000000 ] - [ 0.0000893600000000, -0.0000846100000000, 0.0000044100000000 ] - [ -0.0001868900000000, -0.0005698000000000, -0.0002867200000000 ] - [ 0.0000077500000000, 0.0001097900000000, 0.0001423700000000 ] - [ 0.0001374400000000, 0.0007699100000000, 0.0018972800000000 ] - [ -0.0001918000000000, 0.0005213700000000, -0.0005626400000000 ] - [ 0.0018095800000000, -0.0010566000000000, -0.0014766400000000 ] - [ -0.0009674400000000, -0.0002784400000000, -0.0010548000000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000114100000000, 0.0002096200000000, -0.0000818100000000 ] - [ -0.0000058200000000, 0.0007232700000000, 0.0003536700000000 ] - [ 0.0001050400000000, 0.0003012600000000, 0.0000793700000000 ] - [ 0.0018137000000000, 0.0008251600000000, 0.0002362400000000 ] - [ -0.0000652600000000, 0.0000546100000000, -0.0002756900000000 ] - [ -0.0015350200000000, 0.0002999000000000, 0.0013886800000000 ] - [ 0.0000050300000000, -0.0003050100000000, 0.0002111300000000 ] - [ 0.0004701600000000, -0.0013872900000000, -0.0009002900000000 ] - [ -0.0001081400000000, -0.0003014400000000, -0.0003038000000000 ] - [ -0.0010660600000000, -0.0014492000000000, 0.0015568300000000 ] - [ -0.0000876300000000, 0.0000115900000000, 0.0003700800000000 ] - [ -0.0022977100000000, 0.0001527800000000, -0.0020362900000000 ] - [ 0.0058977100000000, 0.0016521800000000, -0.0010676500000000 ] - [ 0.0001247600000000, 0.0004002700000000, -0.0001350700000000 ] - [ -0.0035461200000000, -0.0040653000000000, -0.0031310300000000 ] - [ -0.0001260100000000, -0.0004184500000000, 0.0003893300000000 ] - [ 0.0000189300000000, 0.0017592000000000, -0.0007062400000000 ] - [ -0.0000244300000000, 0.0003086900000000, 0.0000861900000000 ] - [ -0.0042223500000000, 0.0007157700000000, -0.0028437200000000 ] - [ -0.0000315700000000, 0.0000759500000000, 0.0003377500000000 ] - [ -0.0059261000000000, 0.0008806600000000, 0.0036295900000000 ] - [ -0.0000868600000000, 0.0000216600000000, -0.0004500100000000 ] - [ 0.0017946400000000, -0.0039075300000000, 0.0019843300000000 ] - [ 0.0000128800000000, -0.0004187700000000, -0.0002498400000000 ] - [ -0.0005868800000000, -0.0000496500000000, -0.0004132800000000 ] - [ -0.0005274200000000, -0.0000297000000000, -0.0003607300000000 ] - [ -0.0014288700000000, -0.0003292300000000, 0.0002076700000000 ] - [ -0.0001599400000000, -0.0003222400000000, 0.0001742800000000 ] - [ 0.1681310300000000, 0.0284633600000000, 0.0032667300000000 ] - [ 0.0007229800000000, 0.0001802500000000, 0.0004774200000000 ] - [ 0.0004544900000000, -0.0004920300000000, 0.0003739000000000 ] - [ -0.0002602600000000, -0.0001469200000000, 0.0003900500000000 ] - [ -0.0007847900000000, -0.0001733200000000, -0.0003357300000000 ] - [ -0.0005379600000000, -0.0002267300000000, -0.0004364500000000 ] - [ -0.0037575200000000, 0.0019675100000000, -0.0000592400000000 ] - [ -0.0004256600000000, 0.0002833100000000, 0.0001700100000000 ] - [ 0.0060301700000000, 0.0199708200000000, -0.0000546500000000 ] - [ 0.0001428600000000, -0.0002942900000000, 0.0004790600000000 ] - [ -0.0003539800000000, -0.0006064300000000, -0.0002321000000000 ] - [ -0.0001182500000000, -0.0000238300000000, -0.0001258000000000 ] - [ -0.0033711200000000, -0.0006506400000000, 0.0002942700000000 ] - [ -0.0000673200000000, 0.0000474500000000, 0.0001791400000000 ] - [ 0.0634894900000000, 0.0275298200000000, -0.0004541200000000 ] - [ 0.0000251400000000, 0.0003675500000000, 0.0004601300000000 ] - [ 0.0017746000000000, 0.0010337000000000, -0.0018654700000000 ] - [ 0.0009023400000000, 0.0006110400000000, -0.0000635300000000 ] - [ -0.0017058500000000, 0.0004158300000000, 0.0004068500000000 ] - [ -0.0001379700000000, 0.0003355200000000, 0.0003900600000000 ] - [ 0.0035907700000000, 0.0001204900000000, 0.0010548600000000 ] - [ 0.0010481900000000, -0.0001036200000000, -0.0009141800000000 ] - [ -0.0009926600000000, -0.0001365500000000, -0.0002083200000000 ] - [ -0.0004211600000000, -0.0000694800000000, -0.0001555700000000 ] - [ -0.0007084700000000, -0.0024652300000000, 0.0003828500000000 ] - [ 0.0002966000000000, -0.0003597000000000, 0.0003824600000000 ] - [ 0.0028315300000000, 0.0005979500000000, -0.0007443700000000 ] - [ 0.0015222400000000, 0.0002211200000000, -0.0003689700000000 ] - [ 0.0003185600000000, 0.0007008400000000, -0.0003011300000000 ] - [ 0.0002706800000000, 0.0004728200000000, -0.0004115500000000 ] - [ -0.0017526400000000, -0.0014455900000000, -0.0000744600000000 ] - [ -0.0009007200000000, -0.0008213800000000, -0.0002411000000000 ] - [ 0.0003947700000000, -0.0001032600000000, 0.0006023800000000 ] - [ 0.0002054800000000, -0.0000811600000000, 0.0001971200000000 ] - [ 0.0017748400000000, 0.0001386100000000, 0.0002443300000000 ] - [ 0.0009866300000000, 0.0001396800000000, 0.0002886500000000 ] - [ -0.3240597600000000, -0.1127406100000000, -0.0007625200000000 ] - [ -0.0000558300000000, -0.0004674900000000, -0.0000285900000000 ] - [ -0.0003518200000000, 0.0001522700000000, -0.0000855200000000 ] - [ -0.0000166200000000, 0.0004000700000000, -0.0002333900000000 ] - [ 0.0005535100000000, 0.0004906600000000, -0.0003722700000000 ] - [ -0.0000598100000000, 0.0000788500000000, -0.0003780700000000 ] - [ -0.0002053200000000, -0.0001605400000000, 0.0003118000000000 ] - [ -0.0002188500000000, -0.0000203800000000, 0.0003250300000000 ] - [ 0.0020862700000000, -0.0002946000000000, -0.0003269700000000 ] - [ 0.0005312400000000, -0.0001661900000000, -0.0002854800000000 ] - [ 0.0008471700000000, 0.0009078700000000, 0.0003259500000000 ] - [ 0.0003103700000000, 0.0001723800000000, 0.0002568700000000 ] - [ -0.0016180700000000, -0.0009964700000000, 0.0009495900000000 ] - [ -0.0009808400000000, -0.0003920000000000, -0.0003496400000000 ] - [ 0.0013078200000000, 0.0012499500000000, -0.0008148000000000 ] - [ 0.0006530600000000, 0.0006661000000000, 0.0007410200000000 ] - [ -0.0013355700000000, -0.0006458300000000, 0.0001452100000000 ] - [ -0.0007840500000000, -0.0004927200000000, 0.0000685100000000 ] - [ 0.0012357100000000, 0.0007038300000000, 0.0002683400000000 ] - [ 0.0006411700000000, 0.0005494200000000, 0.0004603000000000 ] - [ -0.0008268800000000, 0.0002630500000000, 0.0007479500000000 ] - [ -0.0003309600000000, -0.0001961100000000, 0.0000575100000000 ] - [ -0.0122210000000000, -0.0180946600000000, 0.0001778900000000 ] - [ -0.0000492000000000, 0.0003090100000000, -0.0000299800000000 ] - [ 0.0007816600000000, 0.0008146500000000, 0.0004779400000000 ] - [ 0.0004565100000000, 0.0002232500000000, 0.0002777300000000 ] - [ 0.0003484800000000, 0.0014329500000000, -0.0003324400000000 ] - [ 0.0000094800000000, -0.0000576100000000, -0.0003726800000000 ] - [ 0.0016272100000000, 0.0012797900000000, -0.0004152800000000 ] - [ 0.0001725900000000, 0.0001557000000000, -0.0003792400000000 ] - [ 0.0000881200000000, -0.0005391600000000, 0.0017349100000000 ] - [ 0.0001589300000000, -0.0003618100000000, -0.0006268800000000 ] - [ -0.0023546400000000, -0.0009838500000000, 0.0005803600000000 ] - [ -0.0008558600000000, -0.0005453900000000, -0.0000672200000000 ] - [ 0.0035373300000000, -0.0006750100000000, -0.0003300800000000 ] - [ 0.0003137400000000, -0.0004054500000000, -0.0003805700000000 ] - [ -0.0001643200000000, 0.0000737500000000, 0.0003832400000000 ] - [ -0.0002435900000000, -0.0000754000000000, 0.0003848400000000 ] - [ 0.0015849000000000, -0.0013545000000000, -0.0003396800000000 ] - [ 0.0003424300000000, 0.0001893700000000, -0.0003667300000000 ] - [ 0.0002819500000000, -0.0004681600000000, 0.0007296900000000 ] - [ -0.0000262000000000, -0.0001341000000000, -0.0000609400000000 ] - [ 0.0055057000000000, -0.0039279300000000, -0.0006699800000000 ] - [ 0.0003581300000000, -0.0003523500000000, -0.0002413200000000 ] - [ -0.0015309400000000, 0.0005482600000000, -0.0005787100000000 ] - [ -0.0005394000000000, 0.0004246200000000, 0.0003450900000000 ] - [ 0.0029209500000000, 0.0010298000000000, -0.0002160700000000 ] - [ -0.0001244600000000, -0.0000660000000000, -0.0002196400000000 ] - [ -0.0005032300000000, -0.0000072700000000, -0.0001655900000000 ] - [ -0.0000178900000000, 0.0002400300000000, -0.0002873200000000 ] - [ 0.0024434600000000, -0.0069462800000000, 0.0005212300000000 ] - [ 0.0004245300000000, 0.0000878500000000, -0.0000671900000000 ] - [ 0.0004674800000000, 0.0017565000000000, -0.0003638400000000 ] - [ -0.0002351600000000, 0.0000024700000000, -0.0002846800000000 ] - [ 0.0009907300000000, 0.0008918900000000, -0.0004324900000000 ] - [ -0.0002338800000000, 0.0001680300000000, -0.0003764000000000 ] - [ 0.0187985900000000, 0.0393304000000000, 0.0031514900000000 ] - [ -0.0005477100000000, 0.0003286500000000, -0.0000696400000000 ] - [ 0.0522467500000000, -0.0194265400000000, 0.0012168400000000 ] - [ -0.0005375800000000, -0.0000203500000000, -0.0000363900000000 ] - [ 0.0005856900000000, -0.0003268000000000, 0.0000866600000000 ] - [ 0.0003906700000000, -0.0002145300000000, 0.0005777800000000 ] - [ 0.0003084700000000, -0.0000067000000000, 0.0003356900000000 ] - [ 0.0001935700000000, 0.0000639800000000, 0.0003993100000000 ] - [ -0.0014379200000000, 0.0002269900000000, -0.0024260100000000 ] - [ -0.0007793200000000, 0.0004133300000000, 0.0008815400000000 ] - [ 0.0230697400000000, 0.0456535800000000, -0.0041049600000000 ] - [ -0.0003437500000000, -0.0005227900000000, -0.0000843600000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001246100000000, 0.0000230400000000, 0.0000818500000000 ] - [ -0.0001338300000000, -0.0004898200000000, -0.0003523800000000 ] - [ -0.0002575100000000, -0.0000419700000000, -0.0000798900000000 ] - [ -0.0019836500000000, -0.0005693000000000, -0.0002399600000000 ] - [ 0.0003681100000000, -0.0000557000000000, 0.0002780000000000 ] - [ 0.0018501300000000, -0.0003053700000000, -0.0014018700000000 ] - [ -0.0001541400000000, 0.0000478700000000, -0.0002136000000000 ] - [ -0.0006144000000000, 0.0011448600000000, 0.0009128600000000 ] - [ -0.0000269400000000, 0.0000674900000000, 0.0003074200000000 ] - [ 0.0009430200000000, 0.0012270700000000, -0.0015738100000000 ] - [ 0.0003587300000000, -0.0000123200000000, -0.0003724100000000 ] - [ 0.0025767800000000, -0.0001591900000000, 0.0020439700000000 ] - [ -0.0061791000000000, -0.0012837300000000, 0.0010816800000000 ] - [ -0.0003486900000000, -0.0000187200000000, 0.0001351800000000 ] - [ 0.0033877600000000, 0.0037577200000000, 0.0031656500000000 ] - [ -0.0000730100000000, 0.0000749500000000, -0.0003944200000000 ] - [ -0.0002276000000000, -0.0014134900000000, 0.0007057700000000 ] - [ -0.0001757000000000, 0.0000364300000000, -0.0000859500000000 ] - [ 0.0047011400000000, -0.0007296900000000, 0.0028705800000000 ] - [ 0.0004755600000000, -0.0000784400000000, -0.0003413700000000 ] - [ 0.0063599800000000, -0.0008951400000000, -0.0036479000000000 ] - [ 0.0004882700000000, -0.0000223200000000, 0.0004525500000000 ] - [ -0.0020041400000000, 0.0035704700000000, -0.0020118300000000 ] - [ -0.0002343000000000, 0.0000380000000000, 0.0002529500000000 ] - [ -0.0000281700000000, 0.0003867300000000, -0.0003622400000000 ] - [ -0.0000895000000000, 0.0003656800000000, -0.0004160000000000 ] - [ 0.0013646100000000, -0.0001956000000000, 0.0001418900000000 ] - [ 0.0000899200000000, -0.0002195300000000, 0.0001746900000000 ] - [ -0.1797362800000000, -0.0337927400000000, -0.0026249600000000 ] - [ 0.0000996200000000, 0.0000026700000000, 0.0004723400000000 ] - [ -0.0011003300000000, 0.0001533600000000, 0.0004033800000000 ] - [ -0.0003741900000000, -0.0001979600000000, 0.0003873300000000 ] - [ 0.0008105200000000, -0.0005497400000000, -0.0004406900000000 ] - [ 0.0005618400000000, -0.0004936900000000, -0.0003400500000000 ] - [ 0.0033458100000000, -0.0016321000000000, 0.0004083200000000 ] - [ -0.0000037200000000, 0.0000565400000000, 0.0001786700000000 ] - [ -0.0065755800000000, -0.0210592600000000, 0.0010036900000000 ] - [ -0.0003796800000000, -0.0005100000000000, 0.0004711700000000 ] - [ 0.0002715900000000, 0.0011640400000000, -0.0001155300000000 ] - [ 0.0000342000000000, 0.0005743800000000, -0.0002239400000000 ] - [ 0.0039100700000000, 0.0008637000000000, 0.0000545200000000 ] - [ 0.0005833200000000, 0.0001530700000000, 0.0001695100000000 ] - [ -0.0644642600000000, -0.0268970600000000, 0.0014049200000000 ] - [ -0.0005891400000000, 0.0002377100000000, 0.0004902700000000 ] - [ -0.0020555000000000, -0.0002409800000000, 0.0009290300000000 ] - [ -0.0011645000000000, 0.0001893200000000, -0.0008907200000000 ] - [ 0.0017323800000000, 0.0003021700000000, 0.0003698000000000 ] - [ 0.0001557300000000, 0.0003838600000000, 0.0003869000000000 ] - [ -0.0041787200000000, -0.0007410700000000, -0.0020249700000000 ] - [ -0.0016329100000000, -0.0005086200000000, -0.0000320500000000 ] - [ 0.0015066000000000, -0.0000642100000000, -0.0001400300000000 ] - [ 0.0009332300000000, -0.0001334900000000, -0.0001936700000000 ] - [ 0.0013155600000000, 0.0021140600000000, 0.0003937600000000 ] - [ 0.0003017500000000, -0.0000091100000000, 0.0003945700000000 ] - [ -0.0020513000000000, -0.0007869100000000, -0.0002147900000000 ] - [ -0.0007256800000000, -0.0004086700000000, -0.0005781300000000 ] - [ 0.0002972900000000, -0.0003253900000000, -0.0004748900000000 ] - [ 0.0003449100000000, -0.0000981000000000, -0.0003656100000000 ] - [ 0.0013296400000000, 0.0011220200000000, -0.0002744000000000 ] - [ 0.0004724300000000, 0.0004934400000000, -0.0001079200000000 ] - [ -0.0006233400000000, -0.0000150300000000, 0.0001503200000000 ] - [ -0.0004333900000000, -0.0000376000000000, 0.0005608400000000 ] - [ -0.0012184100000000, 0.0001793200000000, 0.0003298100000000 ] - [ -0.0004258500000000, 0.0001755500000000, 0.0002871400000000 ] - [ 0.3386943100000000, 0.1176662300000000, 0.0010766900000000 ] - [ 0.0004041100000000, -0.0002230800000000, -0.0000407400000000 ] - [ 0.0004365800000000, 0.0005299600000000, -0.0003769900000000 ] - [ 0.0000987400000000, 0.0002994200000000, -0.0002293300000000 ] - [ -0.0007791400000000, -0.0003809000000000, -0.0003834900000000 ] - [ -0.0001644700000000, 0.0000362300000000, -0.0003774200000000 ] - [ -0.0003715200000000, 0.0004930800000000, 0.0002638000000000 ] - [ -0.0003549300000000, 0.0003525700000000, 0.0002500800000000 ] - [ -0.0015244700000000, -0.0000332200000000, -0.0002454500000000 ] - [ 0.0000413600000000, -0.0001651800000000, -0.0002870900000000 ] - [ -0.0008815000000000, -0.0015751200000000, 0.0002448900000000 ] - [ -0.0003410600000000, -0.0008332200000000, 0.0003167700000000 ] - [ 0.0008623800000000, 0.0009671200000000, -0.0008855000000000 ] - [ 0.0002174800000000, 0.0003529000000000, 0.0004209500000000 ] - [ -0.0007512200000000, -0.0008369800000000, 0.0012833500000000 ] - [ -0.0000917100000000, -0.0002491400000000, -0.0002829100000000 ] - [ 0.0005965900000000, -0.0001448800000000, 0.0000117500000000 ] - [ 0.0000393000000000, -0.0002944300000000, 0.0000785200000000 ] - [ -0.0010545800000000, 0.0000137500000000, 0.0004800900000000 ] - [ -0.0004547900000000, 0.0001716800000000, 0.0002875200000000 ] - [ 0.0009171600000000, -0.0009592800000000, -0.0002947000000000 ] - [ 0.0004162800000000, -0.0004948900000000, 0.0004088100000000 ] - [ 0.0129457200000000, 0.0185662800000000, -0.0002407000000000 ] - [ 0.0004640200000000, 0.0003471700000000, -0.0000392800000000 ] - [ -0.0002563800000000, -0.0013543000000000, 0.0002717800000000 ] - [ 0.0000730500000000, -0.0007577400000000, 0.0004741000000000 ] - [ -0.0003397800000000, -0.0017011200000000, -0.0004237500000000 ] - [ 0.0000014500000000, -0.0001967100000000, -0.0003827300000000 ] - [ -0.0014299000000000, -0.0011523100000000, -0.0003400400000000 ] - [ 0.0000345800000000, -0.0000177500000000, -0.0003760500000000 ] - [ 0.0009795100000000, 0.0002967100000000, -0.0016029800000000 ] - [ 0.0009052200000000, 0.0001142600000000, 0.0007851100000000 ] - [ 0.0028129700000000, 0.0003404000000000, -0.0005048000000000 ] - [ 0.0012968700000000, -0.0001041700000000, 0.0001357300000000 ] - [ -0.0033785400000000, -0.0000487400000000, -0.0004172100000000 ] - [ -0.0001441400000000, -0.0003186600000000, -0.0003674600000000 ] - [ -0.0005494000000000, -0.0002897600000000, 0.0003660000000000 ] - [ -0.0004698000000000, -0.0001387000000000, 0.0003641200000000 ] - [ -0.0010537900000000, 0.0018745300000000, -0.0004086000000000 ] - [ 0.0001874500000000, 0.0003361400000000, -0.0003817600000000 ] - [ -0.0009190100000000, 0.0007648900000000, -0.0002693500000000 ] - [ -0.0006114400000000, 0.0004297300000000, 0.0005266000000000 ] - [ -0.0048934000000000, 0.0035035500000000, 0.0002030200000000 ] - [ 0.0002118500000000, -0.0000525900000000, -0.0002222700000000 ] - [ 0.0019045600000000, 0.0001440300000000, 0.0006628200000000 ] - [ 0.0009044100000000, 0.0002642100000000, -0.0002822400000000 ] - [ -0.0035812500000000, -0.0013126400000000, -0.0002491700000000 ] - [ -0.0005131600000000, -0.0002102200000000, -0.0002448700000000 ] - [ 0.0005018100000000, 0.0006562300000000, -0.0004093800000000 ] - [ 0.0000089300000000, 0.0004081100000000, -0.0002856600000000 ] - [ -0.0013432300000000, 0.0072793300000000, -0.0006725000000000 ] - [ 0.0006331800000000, 0.0001691300000000, -0.0000842900000000 ] - [ -0.0010293400000000, -0.0021238700000000, -0.0002075600000000 ] - [ -0.0003181700000000, -0.0003555400000000, -0.0002869900000000 ] - [ -0.0017275200000000, -0.0007117800000000, -0.0003177300000000 ] - [ -0.0004917300000000, 0.0000245500000000, -0.0003741000000000 ] - [ -0.0198741200000000, -0.0392027300000000, -0.0033597400000000 ] - [ -0.0001984200000000, 0.0004673100000000, -0.0000807700000000 ] - [ -0.0543628500000000, 0.0199904400000000, -0.0012972700000000 ] - [ -0.0002441700000000, 0.0000689300000000, -0.0000328200000000 ] - [ -0.0003780800000000, 0.0001890000000000, 0.0006690300000000 ] - [ -0.0001823200000000, 0.0000781200000000, 0.0001772800000000 ] - [ -0.0002972300000000, 0.0002547800000000, 0.0004200100000000 ] - [ -0.0001797800000000, 0.0001836700000000, 0.0003556000000000 ] - [ 0.0011350400000000, 0.0008241600000000, 0.0025829100000000 ] - [ 0.0004766900000000, 0.0006321800000000, -0.0007356700000000 ] - [ -0.0232844500000000, -0.0462455600000000, 0.0039358000000000 ] - [ 0.0000368300000000, -0.0005190200000000, -0.0000671300000000 ]- atom: 65 displacement: [ -0.0050000000040513, 0.0086602540355054, 0.0000000000000000 ] forces: - [ 0.0000818700000000, -0.0001581800000000, 0.0001105800000000 ] - [ 0.0006906000000000, -0.0010863900000000, -0.0006525000000000 ] - [ -0.0000285700000000, 0.0001492000000000, -0.0005646800000000 ] - [ 0.0005745800000000, -0.0001004200000000, 0.0014895900000000 ] - [ 0.0001807600000000, 0.0000853800000000, 0.0001913300000000 ] - [ 0.0009058400000000, 0.0003778000000000, -0.0008445500000000 ] - [ -0.0001687600000000, -0.0002373000000000, 0.0002742900000000 ] - [ -0.0008472400000000, -0.0013413900000000, -0.0014260900000000 ] - [ -0.0002599300000000, -0.0001167800000000, -0.0001664800000000 ] - [ -0.0010338600000000, -0.0004713800000000, 0.0006845300000000 ] - [ 0.0002391300000000, 0.0001726900000000, 0.0000362000000000 ] - [ 0.0001756300000000, 0.0010038800000000, -0.0003105000000000 ] - [ 0.0016807500000000, 0.0006518200000000, -0.0017809500000000 ] - [ -0.0000693800000000, 0.0002871600000000, 0.0007018300000000 ] - [ -0.0028199400000000, -0.0014753300000000, -0.0013961400000000 ] - [ -0.0003899600000000, -0.0001905400000000, 0.0001813100000000 ] - [ 0.0015633900000000, -0.0028435300000000, 0.0011613400000000 ] - [ 0.0001276400000000, -0.0002390400000000, -0.0001369100000000 ] - [ 0.0023372100000000, 0.0010757900000000, 0.0018021900000000 ] - [ 0.0002339300000000, 0.0001228200000000, -0.0002449300000000 ] - [ -0.0004467600000000, 0.0024526400000000, 0.0009331100000000 ] - [ 0.0003633200000000, 0.0002292500000000, -0.0000812000000000 ] - [ -0.0020784900000000, -0.0036960800000000, 0.0030317300000000 ] - [ -0.0002230500000000, -0.0002836200000000, -0.0003717000000000 ] - [ 0.0000574700000000, -0.0000082700000000, -0.0003794000000000 ] - [ -0.0000833200000000, -0.0000264100000000, -0.0003677200000000 ] - [ 0.0006906900000000, -0.0029935400000000, 0.0001003500000000 ] - [ 0.0000611900000000, -0.0005246600000000, 0.0001699000000000 ] - [ -0.0538936200000000, 0.0453009400000000, 0.0004484900000000 ] - [ 0.0002791200000000, 0.0004286500000000, 0.0004836900000000 ] - [ -0.0010975600000000, -0.0025108000000000, 0.0004009200000000 ] - [ -0.0003769000000000, -0.0004187400000000, 0.0004001000000000 ] - [ 0.0006112400000000, 0.0005751000000000, -0.0004238500000000 ] - [ 0.0003619500000000, 0.0001491400000000, -0.0003789500000000 ] - [ 0.0025798900000000, -0.0016639900000000, 0.0003782000000000 ] - [ 0.0000042300000000, 0.0001034600000000, 0.0001806300000000 ] - [ 0.0164490000000000, -0.0002868200000000, 0.0012975600000000 ] - [ -0.0001102500000000, -0.0002221300000000, 0.0004673000000000 ] - [ -0.0001646400000000, -0.0019509800000000, -0.0002544000000000 ] - [ -0.0001730400000000, -0.0008391400000000, -0.0001191900000000 ] - [ 0.0009153900000000, -0.0004841500000000, 0.0001476600000000 ] - [ 0.0002980400000000, 0.0000722300000000, 0.0001661600000000 ] - [ -0.0125709100000000, 0.1613780800000000, -0.0013523100000000 ] - [ -0.0002985400000000, 0.0006485600000000, 0.0004729200000000 ] - [ -0.0015709400000000, 0.0024955500000000, -0.0002306400000000 ] - [ -0.0008200800000000, 0.0013569400000000, -0.0005560300000000 ] - [ -0.0003226800000000, -0.0003621700000000, 0.0003998900000000 ] - [ -0.0000215800000000, 0.0002567200000000, 0.0003780500000000 ] - [ -0.0013472800000000, 0.0029412600000000, -0.0011484400000000 ] - [ -0.0007007600000000, 0.0010795400000000, -0.0002971500000000 ] - [ 0.0007743200000000, -0.0012611600000000, -0.0001352300000000 ] - [ 0.0005165100000000, -0.0007508100000000, -0.0002031300000000 ] - [ -0.0010739600000000, -0.0016034400000000, 0.0004034200000000 ] - [ 0.0001126700000000, -0.0003280700000000, 0.0003859200000000 ] - [ 0.0002775700000000, 0.0007299900000000, 0.0007479400000000 ] - [ 0.0002829800000000, 0.0003098600000000, -0.0009170600000000 ] - [ 0.0019045500000000, 0.0004751000000000, -0.0003915500000000 ] - [ 0.0012601000000000, 0.0002579500000000, -0.0004042400000000 ] - [ -0.0008848600000000, -0.0012902000000000, -0.0001234400000000 ] - [ -0.0005305500000000, -0.0007149000000000, -0.0001993800000000 ] - [ -0.0001907600000000, -0.0001274700000000, 0.0004445900000000 ] - [ -0.0001564000000000, -0.0000656700000000, 0.0003185400000000 ] - [ -0.0000716600000000, -0.0006479300000000, -0.0002170400000000 ] - [ 0.0000781700000000, -0.0002148300000000, 0.0005810100000000 ] - [ 0.0642732600000000, -0.2779803700000000, -0.0002747300000000 ] - [ 0.0001821200000000, -0.0006070400000000, -0.0000358000000000 ] - [ -0.0003891500000000, 0.0032394300000000, -0.0002730800000000 ] - [ -0.0000203600000000, 0.0005327800000000, -0.0002333300000000 ] - [ -0.0000182000000000, 0.0017353500000000, -0.0003986600000000 ] - [ -0.0000942800000000, 0.0002358600000000, -0.0003788300000000 ] - [ -0.0025168200000000, 0.0010819400000000, 0.0013047300000000 ] - [ -0.0012542000000000, 0.0005474400000000, -0.0003474600000000 ] - [ -0.0000353200000000, 0.0001847400000000, -0.0002347500000000 ] - [ 0.0002298500000000, -0.0001144400000000, -0.0002845100000000 ] - [ 0.0003241800000000, 0.0008119200000000, 0.0000951000000000 ] - [ 0.0000570100000000, 0.0001832500000000, 0.0004812100000000 ] - [ -0.0002319100000000, -0.0013700300000000, -0.0007414100000000 ] - [ -0.0002696100000000, -0.0006492300000000, 0.0004006800000000 ] - [ 0.0011789500000000, 0.0004152800000000, -0.0004108500000000 ] - [ 0.0006501800000000, 0.0002680600000000, 0.0005475300000000 ] - [ -0.0005967600000000, -0.0004463100000000, -0.0010759500000000 ] - [ -0.0004491900000000, -0.0005025200000000, 0.0006147000000000 ] - [ 0.0002039900000000, 0.0007589700000000, 0.0003128300000000 ] - [ 0.0001396700000000, 0.0005838000000000, 0.0004115400000000 ] - [ 0.0011156700000000, 0.0013127800000000, 0.0014212700000000 ] - [ 0.0004449200000000, 0.0003463000000000, -0.0004411600000000 ] - [ -0.0174293800000000, 0.0525265200000000, -0.0012896000000000 ] - [ 0.0002474200000000, 0.0001824800000000, -0.0000310900000000 ] - [ 0.0008280600000000, 0.0010592500000000, 0.0003778600000000 ] - [ 0.0005634200000000, 0.0003748500000000, 0.0003954900000000 ] - [ 0.0008987400000000, 0.0012331000000000, -0.0003713500000000 ] - [ 0.0001151300000000, 0.0000017600000000, -0.0003858500000000 ] - [ 0.0005347300000000, 0.0009491000000000, -0.0004020100000000 ] - [ 0.0001278800000000, 0.0001470800000000, -0.0003670300000000 ] - [ 0.0010505000000000, -0.0011285700000000, 0.0001166100000000 ] - [ 0.0007539000000000, -0.0005556300000000, 0.0000655500000000 ] - [ 0.0012491800000000, -0.0017580000000000, 0.0011614400000000 ] - [ 0.0006449100000000, -0.0009785600000000, -0.0004086800000000 ] - [ -0.0016474900000000, -0.0002373900000000, -0.0004208200000000 ] - [ -0.0000334500000000, -0.0003724800000000, -0.0003704500000000 ] - [ -0.0008001100000000, 0.0011412600000000, 0.0004299600000000 ] - [ -0.0005508900000000, 0.0005479700000000, 0.0003118500000000 ] - [ -0.0011249000000000, 0.0023672800000000, -0.0003757300000000 ] - [ 0.0001401200000000, 0.0003988200000000, -0.0003851900000000 ] - [ -0.0008788100000000, 0.0007680200000000, -0.0002213400000000 ] - [ -0.0005716100000000, 0.0004404300000000, 0.0005017300000000 ] - [ -0.0049193800000000, 0.0006547900000000, -0.0001559600000000 ] - [ 0.0000643800000000, -0.0002647100000000, -0.0002218500000000 ] - [ 0.0008643300000000, -0.0014110200000000, -0.0008854400000000 ] - [ 0.0004709200000000, -0.0004514100000000, 0.0004270700000000 ] - [ -0.0003507700000000, -0.0010517500000000, -0.0002256800000000 ] - [ -0.0002884600000000, -0.0002414600000000, -0.0002233000000000 ] - [ -0.0000061600000000, 0.0029350800000000, -0.0005716600000000 ] - [ -0.0000211600000000, 0.0005865600000000, -0.0002759100000000 ] - [ -0.0068410500000000, 0.0036438500000000, -0.0009661000000000 ] - [ 0.0005420700000000, 0.0001111000000000, -0.0000738100000000 ] - [ 0.0008677000000000, 0.0009707000000000, -0.0002704100000000 ] - [ -0.0001112300000000, -0.0000556700000000, -0.0002890300000000 ] - [ -0.0002335200000000, 0.0010230100000000, -0.0003684400000000 ] - [ -0.0003626800000000, 0.0001650000000000, -0.0003627400000000 ] - [ 0.0320076200000000, 0.0170821800000000, 0.0022227600000000 ] - [ -0.0002667800000000, 0.0002159800000000, -0.0000643200000000 ] - [ -0.0365114600000000, -0.0049230600000000, -0.0007144800000000 ] - [ -0.0002865600000000, -0.0002048800000000, -0.0000362500000000 ] - [ -0.0006409200000000, -0.0006023600000000, 0.0005253600000000 ] - [ -0.0003157000000000, -0.0003501600000000, 0.0002948200000000 ] - [ -0.0008354300000000, 0.0004523800000000, 0.0002117800000000 ] - [ -0.0004583100000000, 0.0003332500000000, 0.0005034300000000 ] - [ -0.0002201400000000, -0.0012668800000000, 0.0013223200000000 ] - [ -0.0001000700000000, -0.0001973400000000, -0.0003641100000000 ] - [ 0.0192313600000000, 0.0022111200000000, -0.0014469100000000 ] - [ -0.0001634200000000, -0.0006708000000000, -0.0000770400000000 ]- atom: 65 displacement: [ 0.0050000000040513, -0.0086602540355054, 0.0000000000000000 ] forces: - [ -0.0002163100000000, 0.0003923300000000, -0.0001091000000000 ] - [ -0.0008215200000000, 0.0013185600000000, 0.0006493200000000 ] - [ -0.0001202600000000, 0.0001103700000000, 0.0005673400000000 ] - [ -0.0006959500000000, 0.0002998800000000, -0.0014281100000000 ] - [ 0.0001196000000000, -0.0000843500000000, -0.0001922800000000 ] - [ -0.0006116700000000, -0.0003736100000000, 0.0008485600000000 ] - [ 0.0000192400000000, -0.0000222300000000, -0.0002725800000000 ] - [ 0.0006914300000000, 0.0010747000000000, 0.0014154300000000 ] - [ 0.0001240900000000, -0.0001200500000000, 0.0001645600000000 ] - [ 0.0008879600000000, 0.0002254900000000, -0.0006718500000000 ] - [ 0.0000300200000000, -0.0001726300000000, -0.0000349500000000 ] - [ 0.0000895100000000, -0.0010028800000000, 0.0003064700000000 ] - [ -0.0018053100000000, -0.0005175600000000, 0.0015724300000000 ] - [ -0.0001499100000000, 0.0000949400000000, -0.0007029600000000 ] - [ 0.0025889500000000, 0.0010986100000000, 0.0013686500000000 ] - [ 0.0001901500000000, -0.0001569700000000, -0.0001783700000000 ] - [ -0.0017547600000000, 0.0031890900000000, -0.0011579900000000 ] - [ -0.0003255100000000, 0.0005856300000000, 0.0001361700000000 ] - [ -0.0019131000000000, -0.0010659800000000, -0.0018100400000000 ] - [ 0.0002072500000000, -0.0001221400000000, 0.0002460000000000 ] - [ 0.0008317900000000, -0.0024470500000000, -0.0009258800000000 ] - [ 0.0000352100000000, -0.0002286500000000, 0.0000800600000000 ] - [ 0.0018410500000000, 0.0032912000000000, -0.0030083200000000 ] - [ 0.0000013300000000, -0.0001002700000000, 0.0003700000000000 ] - [ -0.0006832000000000, 0.0003406300000000, -0.0003965600000000 ] - [ -0.0005402000000000, 0.0003585600000000, -0.0004084300000000 ] - [ -0.0007699200000000, 0.0024377900000000, 0.0002479500000000 ] - [ -0.0001333800000000, -0.0000177900000000, 0.0001792600000000 ] - [ 0.0556538800000000, -0.0454933000000000, 0.0005018700000000 ] - [ 0.0005473500000000, -0.0002444500000000, 0.0004664000000000 ] - [ 0.0004767000000000, 0.0021637400000000, 0.0003757000000000 ] - [ -0.0002560600000000, 0.0000738800000000, 0.0003773900000000 ] - [ -0.0005966800000000, -0.0012967700000000, -0.0003530800000000 ] - [ -0.0003454100000000, -0.0008692000000000, -0.0003976000000000 ] - [ -0.0030134900000000, 0.0020010700000000, -0.0000299600000000 ] - [ -0.0004348400000000, 0.0002356300000000, 0.0001681800000000 ] - [ -0.0165529100000000, -0.0002682100000000, -0.0003456400000000 ] - [ -0.0001244500000000, -0.0005776000000000, 0.0004829500000000 ] - [ 0.0000843400000000, 0.0024915300000000, -0.0000944300000000 ] - [ 0.0000908300000000, 0.0013810600000000, -0.0002295600000000 ] - [ -0.0004200600000000, 0.0006760700000000, 0.0002020100000000 ] - [ 0.0002123900000000, 0.0001262600000000, 0.0001827800000000 ] - [ 0.0153243400000000, -0.1535251800000000, 0.0021203600000000 ] - [ -0.0002614000000000, -0.0000401500000000, 0.0004774000000000 ] - [ 0.0013148000000000, -0.0016765000000000, -0.0007325700000000 ] - [ 0.0005688500000000, -0.0005456200000000, -0.0003904300000000 ] - [ 0.0003378300000000, 0.0010836100000000, 0.0003767500000000 ] - [ 0.0000378800000000, 0.0004651100000000, 0.0003990700000000 ] - [ 0.0007952500000000, -0.0035321700000000, 0.0001945300000000 ] - [ 0.0001317900000000, -0.0016793600000000, -0.0006526100000000 ] - [ -0.0002704800000000, 0.0010601400000000, -0.0002138100000000 ] - [ -0.0000106300000000, 0.0005485000000000, -0.0001459300000000 ] - [ 0.0016672400000000, 0.0012237200000000, 0.0003727900000000 ] - [ 0.0004871000000000, -0.0000433600000000, 0.0003911800000000 ] - [ 0.0005370700000000, -0.0008934100000000, -0.0016913900000000 ] - [ 0.0005280600000000, -0.0004847300000000, -0.0000339600000000 ] - [ -0.0012949600000000, -0.0001024900000000, -0.0003851500000000 ] - [ -0.0006457700000000, 0.0001166100000000, -0.0003726700000000 ] - [ 0.0004452900000000, 0.0009499000000000, -0.0002250600000000 ] - [ 0.0000943500000000, 0.0003782700000000, -0.0001501500000000 ] - [ -0.0000302200000000, 0.0000104800000000, 0.0003125200000000 ] - [ -0.0000677600000000, -0.0000521900000000, 0.0004365100000000 ] - [ 0.0006446500000000, 0.0009658800000000, 0.0007910600000000 ] - [ 0.0004909200000000, 0.0005305100000000, -0.0000062000000000 ] - [ -0.0674686900000000, 0.2691792400000000, 0.0005489100000000 ] - [ 0.0001636100000000, -0.0000862300000000, -0.0000339600000000 ] - [ 0.0004698200000000, -0.0025213700000000, -0.0001898600000000 ] - [ 0.0001026400000000, 0.0001676800000000, -0.0002296400000000 ] - [ -0.0002104600000000, -0.0016184100000000, -0.0003573400000000 ] - [ -0.0001316900000000, -0.0001199800000000, -0.0003771800000000 ] - [ 0.0019577800000000, -0.0007497200000000, -0.0007375200000000 ] - [ 0.0006837700000000, -0.0002144400000000, 0.0009251400000000 ] - [ 0.0006138600000000, -0.0005157600000000, -0.0003378000000000 ] - [ 0.0003457100000000, -0.0002177500000000, -0.0002879500000000 ] - [ -0.0003428600000000, -0.0014587200000000, 0.0004784500000000 ] - [ -0.0000811000000000, -0.0008343500000000, 0.0000913500000000 ] - [ -0.0005444700000000, 0.0013128800000000, 0.0008150600000000 ] - [ -0.0005031900000000, 0.0005987400000000, -0.0003328600000000 ] - [ -0.0006067700000000, 0.0000059800000000, 0.0008680300000000 ] - [ -0.0000822400000000, 0.0001528300000000, -0.0000829400000000 ] - [ -0.0001537300000000, -0.0003513000000000, 0.0012175100000000 ] - [ -0.0002995500000000, -0.0002909600000000, -0.0004620000000000 ] - [ -0.0000128100000000, -0.0000354100000000, 0.0004353500000000 ] - [ 0.0000522500000000, 0.0001419700000000, 0.0003367800000000 ] - [ -0.0010466200000000, -0.0019958300000000, -0.0009559700000000 ] - [ -0.0003670200000000, -0.0010314300000000, 0.0009025000000000 ] - [ 0.0173413000000000, -0.0505054600000000, 0.0012124500000000 ] - [ 0.0001651000000000, 0.0004738600000000, -0.0000382200000000 ] - [ -0.0002958000000000, -0.0015847800000000, 0.0003743200000000 ] - [ -0.0000296700000000, -0.0009017500000000, 0.0003548000000000 ] - [ -0.0008916500000000, -0.0014745500000000, -0.0003837100000000 ] - [ -0.0001040600000000, -0.0002557800000000, -0.0003699800000000 ] - [ -0.0003244200000000, -0.0008045600000000, -0.0003541100000000 ] - [ 0.0000813000000000, -0.0000070500000000, -0.0003887000000000 ] - [ 0.0000160200000000, 0.0008755100000000, 0.0000447000000000 ] - [ 0.0003095800000000, 0.0003047100000000, 0.0000798000000000 ] - [ -0.0008257100000000, 0.0010988500000000, -0.0010761500000000 ] - [ -0.0002167000000000, 0.0003221800000000, 0.0004727500000000 ] - [ 0.0018346200000000, -0.0004876900000000, -0.0003268000000000 ] - [ 0.0002066100000000, -0.0003537800000000, -0.0003780900000000 ] - [ 0.0000819300000000, -0.0013537500000000, 0.0003189300000000 ] - [ -0.0001655800000000, -0.0007606700000000, 0.0004382600000000 ] - [ 0.0016605000000000, -0.0018356500000000, -0.0003720300000000 ] - [ 0.0003929300000000, 0.0001285300000000, -0.0003635400000000 ] - [ 0.0002443200000000, -0.0004796300000000, 0.0006855300000000 ] - [ -0.0000642200000000, -0.0001495700000000, -0.0000382800000000 ] - [ 0.0055167700000000, -0.0010669400000000, -0.0003099900000000 ] - [ 0.0005053500000000, -0.0001404700000000, -0.0002422600000000 ] - [ -0.0005042000000000, 0.0020917900000000, 0.0009518700000000 ] - [ -0.0001114500000000, 0.0011352500000000, -0.0003570800000000 ] - [ -0.0002680400000000, 0.0007808300000000, -0.0002383500000000 ] - [ -0.0003452700000000, -0.0000334700000000, -0.0002411500000000 ] - [ -0.0000119200000000, -0.0022899800000000, 0.0000028800000000 ] - [ 0.0000105600000000, 0.0000613300000000, -0.0002972900000000 ] - [ 0.0078543700000000, -0.0034244700000000, 0.0008135200000000 ] - [ 0.0005175900000000, 0.0001417600000000, -0.0000776300000000 ] - [ -0.0014135200000000, -0.0013105100000000, -0.0003008300000000 ] - [ -0.0004411300000000, -0.0002939700000000, -0.0002828100000000 ] - [ -0.0004817000000000, -0.0008156600000000, -0.0003824300000000 ] - [ -0.0003617500000000, 0.0000312000000000, -0.0003882500000000 ] - [ -0.0328980400000000, -0.0161700200000000, -0.0023688700000000 ] - [ -0.0004812600000000, 0.0005820400000000, -0.0000861600000000 ] - [ 0.0353222400000000, 0.0047969700000000, 0.0006523200000000 ] - [ -0.0004976200000000, 0.0002514400000000, -0.0000334100000000 ] - [ 0.0008580600000000, 0.0004664800000000, 0.0002296800000000 ] - [ 0.0005294900000000, 0.0002135500000000, 0.0004618500000000 ] - [ 0.0008577800000000, -0.0002016500000000, 0.0005431000000000 ] - [ 0.0004767000000000, -0.0000831700000000, 0.0002529200000000 ] - [ -0.0000967900000000, 0.0023116800000000, -0.0011779500000000 ] - [ -0.0002123100000000, 0.0012412900000000, 0.0005152400000000 ] - [ -0.0193925400000000, -0.0032120600000000, 0.0012755400000000 ] - [ -0.0001483400000000, -0.0003727400000000, -0.0000744800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000768000000000, 0.0000867700000000, -0.0002274600000000 ] - [ -0.0001372000000000, 0.0002339100000000, 0.0002002100000000 ] - [ -0.0000098100000000, -0.0001289600000000, -0.0006752400000000 ] - [ -0.0003930700000000, 0.0008046400000000, 0.0005095200000000 ] - [ 0.0000672200000000, 0.0000222200000000, -0.0002159700000000 ] - [ 0.0002789100000000, -0.0000010400000000, 0.0001826300000000 ] - [ -0.0000303300000000, 0.0000156900000000, -0.0002372100000000 ] - [ -0.0002140900000000, -0.0005318000000000, 0.0001204000000000 ] - [ -0.0001893200000000, -0.0002117000000000, -0.0002445600000000 ] - [ 0.0002173800000000, 0.0000755600000000, 0.0001792600000000 ] - [ 0.0003761500000000, 0.0001037500000000, -0.0003756600000000 ] - [ -0.0007882500000000, -0.0003930300000000, 0.0000910600000000 ] - [ 0.0003378900000000, 0.0000133100000000, 0.0032994000000000 ] - [ -0.0001589300000000, 0.0004665300000000, -0.0010860600000000 ] - [ -0.0005171200000000, -0.0004101100000000, 0.0002427300000000 ] - [ 0.0000630000000000, -0.0000381700000000, -0.0003274600000000 ] - [ 0.0000163900000000, -0.0001328400000000, 0.0005001300000000 ] - [ -0.0000717000000000, 0.0002284500000000, -0.0003841400000000 ] - [ 0.0002675200000000, 0.0001211800000000, 0.0005762200000000 ] - [ 0.0003805800000000, -0.0000358800000000, -0.0003528100000000 ] - [ 0.0012845100000000, 0.0005822500000000, 0.0007841900000000 ] - [ -0.0001219300000000, -0.0001401300000000, -0.0005519500000000 ] - [ -0.0000917500000000, 0.0002695800000000, 0.0003423200000000 ] - [ -0.0002106400000000, -0.0004129500000000, -0.0003499200000000 ] - [ 0.0000337500000000, 0.0000519600000000, -0.0003834100000000 ] - [ -0.0005718400000000, 0.0002338400000000, -0.0004193200000000 ] - [ -0.0000625400000000, -0.0002907100000000, 0.0002657200000000 ] - [ -0.0000533000000000, -0.0002828700000000, 0.0001036500000000 ] - [ 0.0050591500000000, 0.0022732200000000, 0.0483528400000000 ] - [ 0.0004002300000000, 0.0000857900000000, 0.0001958700000000 ] - [ -0.0004356500000000, -0.0003027000000000, 0.0004706400000000 ] - [ -0.0003110000000000, -0.0001711200000000, 0.0003030100000000 ] - [ 0.0003233100000000, -0.0002415200000000, -0.0003568700000000 ] - [ -0.0002522700000000, -0.0004003500000000, -0.0004161300000000 ] - [ -0.0002411000000000, 0.0001936500000000, 0.0001570300000000 ] - [ -0.0002294200000000, 0.0001600800000000, 0.0000716500000000 ] - [ 0.0003934900000000, -0.0007288500000000, 0.0011674600000000 ] - [ -0.0001299900000000, -0.0003888800000000, 0.0003017000000000 ] - [ -0.0001346400000000, -0.0004347100000000, -0.0001661000000000 ] - [ 0.0001086400000000, 0.0007532800000000, -0.0002073100000000 ] - [ 0.0002099100000000, 0.0000915400000000, 0.0002582900000000 ] - [ 0.0002688500000000, 0.0001086500000000, 0.0001098400000000 ] - [ -0.0018633600000000, -0.0050100700000000, 0.0477290900000000 ] - [ -0.0002758100000000, 0.0003079000000000, 0.0002064600000000 ] - [ -0.0037746900000000, 0.0007335900000000, -0.0005416200000000 ] - [ 0.0014055900000000, 0.0004084300000000, -0.0009207300000000 ] - [ 0.0000420000000000, 0.0002883700000000, 0.0004725900000000 ] - [ 0.0000231600000000, 0.0003686300000000, 0.0003197800000000 ] - [ 0.0001910400000000, 0.0016905100000000, -0.0030579200000000 ] - [ -0.0005560000000000, -0.0008896800000000, -0.0017318000000000 ] - [ 0.0003347500000000, -0.0003353700000000, -0.0001497900000000 ] - [ 0.0002234000000000, 0.0000801500000000, -0.0001911800000000 ] - [ 0.0002697900000000, -0.0001975700000000, 0.0004427400000000 ] - [ 0.0003040300000000, -0.0001742200000000, 0.0003180600000000 ] - [ -0.0007891100000000, 0.0014665600000000, -0.0004914900000000 ] - [ 0.0009882100000000, -0.0009706100000000, -0.0007612900000000 ] - [ 0.0010822700000000, 0.0003054700000000, -0.0002874700000000 ] - [ -0.0003076600000000, 0.0001401400000000, -0.0003923600000000 ] - [ -0.0001866000000000, -0.0002633300000000, -0.0001740100000000 ] - [ -0.0002503200000000, -0.0001539600000000, -0.0001945200000000 ] - [ -0.0002595900000000, 0.0000319700000000, 0.0003586800000000 ] - [ 0.0000148300000000, -0.0001318500000000, 0.0003851100000000 ] - [ 0.0001067300000000, 0.0000351700000000, 0.0002161500000000 ] - [ 0.0003899700000000, 0.0002097900000000, 0.0003435900000000 ] - [ -0.0013560700000000, -0.0006587500000000, -0.0408890100000000 ] - [ 0.0001783500000000, -0.0003424600000000, 0.0003150800000000 ] - [ 0.0000441100000000, 0.0003906800000000, -0.0003707400000000 ] - [ 0.0000504100000000, 0.0003678200000000, -0.0000289400000000 ] - [ -0.0001217600000000, 0.0001774800000000, -0.0004171100000000 ] - [ -0.0001200500000000, 0.0000486600000000, -0.0003089500000000 ] - [ -0.0013677500000000, 0.0004858700000000, 0.0008011100000000 ] - [ 0.0003094500000000, -0.0000037000000000, 0.0008313400000000 ] - [ 0.0002158200000000, -0.0001405500000000, -0.0005685100000000 ] - [ 0.0002789300000000, -0.0001544700000000, -0.0000229100000000 ] - [ -0.0002260200000000, -0.0001858300000000, 0.0000867000000000 ] - [ 0.0001307200000000, -0.0003960200000000, 0.0002148700000000 ] - [ 0.0003873500000000, -0.0006287300000000, -0.0000178500000000 ] - [ -0.0007540800000000, 0.0002118900000000, 0.0002752600000000 ] - [ 0.0002728500000000, 0.0000875300000000, 0.0000935600000000 ] - [ 0.0003117300000000, 0.0003119200000000, 0.0002868900000000 ] - [ -0.0000875300000000, -0.0013088900000000, -0.0001779300000000 ] - [ -0.0005145400000000, 0.0001558800000000, 0.0001784700000000 ] - [ 0.0000685900000000, 0.0004336200000000, 0.0003620300000000 ] - [ 0.0001000100000000, 0.0003165100000000, 0.0004071300000000 ] - [ 0.0006642700000000, 0.0002870100000000, 0.0005112000000000 ] - [ -0.0003152600000000, -0.0007130400000000, 0.0005921600000000 ] - [ -0.0003614000000000, 0.0013551700000000, -0.0160528700000000 ] - [ 0.0002094400000000, 0.0003277300000000, 0.0001531300000000 ] - [ 0.0004341500000000, -0.0000075800000000, 0.0003482100000000 ] - [ 0.0001272900000000, -0.0004118600000000, 0.0003521300000000 ] - [ 0.0000387000000000, -0.0000870600000000, -0.0005032800000000 ] - [ -0.0000013800000000, -0.0001322800000000, -0.0002681200000000 ] - [ 0.0000496800000000, 0.0000850600000000, -0.0004386300000000 ] - [ 0.0000979100000000, 0.0000630600000000, -0.0002877900000000 ] - [ 0.0018557000000000, 0.0003868400000000, -0.0002850000000000 ] - [ -0.0001313400000000, -0.0004277100000000, 0.0002308300000000 ] - [ 0.0018625800000000, -0.0006601700000000, 0.0028683900000000 ] - [ -0.0003303600000000, -0.0001287800000000, 0.0011235400000000 ] - [ 0.0001197500000000, -0.0003580800000000, -0.0004230500000000 ] - [ 0.0000940600000000, -0.0003549500000000, -0.0002846500000000 ] - [ -0.0004560600000000, 0.0002079100000000, 0.0003762000000000 ] - [ -0.0003306900000000, -0.0003328500000000, 0.0004587100000000 ] - [ 0.0002749300000000, 0.0002547900000000, -0.0005284300000000 ] - [ 0.0002730100000000, 0.0002678600000000, -0.0002541000000000 ] - [ -0.0003472100000000, 0.0002554400000000, 0.0001671300000000 ] - [ -0.0003067100000000, 0.0000847000000000, 0.0002690900000000 ] - [ 0.0002247900000000, -0.0003804400000000, -0.0018268500000000 ] - [ 0.0003202000000000, -0.0002030600000000, 0.0001535700000000 ] - [ 0.0007979600000000, -0.0010630000000000, 0.0004216500000000 ] - [ -0.0001364300000000, 0.0009814200000000, 0.0005511000000000 ] - [ -0.0002629600000000, -0.0001655000000000, -0.0003424100000000 ] - [ -0.0003353300000000, -0.0001499200000000, -0.0000282800000000 ] - [ 0.0000348400000000, 0.0006846600000000, -0.0015430100000000 ] - [ -0.0000183100000000, 0.0003074500000000, 0.0000826700000000 ] - [ 0.0000737900000000, 0.0004490800000000, 0.0004911600000000 ] - [ 0.0005357900000000, 0.0001175200000000, 0.0001694400000000 ] - [ -0.0002404200000000, -0.0001846200000000, -0.0003852400000000 ] - [ -0.0002693100000000, -0.0001796600000000, -0.0000719800000000 ] - [ -0.0003392900000000, 0.0001143500000000, -0.0004268300000000 ] - [ -0.0003552700000000, 0.0000958400000000, -0.0003075500000000 ] - [ 0.0015981300000000, 0.0022972700000000, -0.0152398600000000 ] - [ -0.0003894600000000, 0.0003980900000000, 0.0003109200000000 ] - [ -0.0015455000000000, 0.0005060500000000, -0.0160503100000000 ] - [ -0.0003879700000000, 0.0000172500000000, 0.0001530300000000 ] - [ -0.0002845100000000, -0.0002083400000000, 0.0003350300000000 ] - [ 0.0003904000000000, 0.0000329100000000, 0.0004580200000000 ] - [ -0.0004916400000000, 0.0002439700000000, 0.0003296700000000 ] - [ 0.0003661200000000, 0.0000370700000000, 0.0003744000000000 ] - [ -0.0013198800000000, 0.0000243200000000, 0.0020245600000000 ] - [ 0.0002911900000000, 0.0006801100000000, 0.0010697100000000 ] - [ -0.0011983700000000, -0.0023075100000000, -0.0138623100000000 ] - [ -0.0001469300000000, -0.0005125100000000, 0.0002780900000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000582100000000, 0.0001469200000000, 0.0002266300000000 ] - [ -0.0000009600000000, 0.0000049000000000, -0.0001933100000000 ] - [ -0.0001418500000000, 0.0003939900000000, 0.0006790200000000 ] - [ 0.0002545700000000, -0.0005665700000000, -0.0004809700000000 ] - [ 0.0002358500000000, -0.0000225600000000, 0.0002143500000000 ] - [ 0.0000188600000000, 0.0000013200000000, -0.0001721000000000 ] - [ -0.0001200300000000, -0.0002777000000000, 0.0002354400000000 ] - [ 0.0000638100000000, 0.0002732000000000, -0.0001074100000000 ] - [ 0.0000557900000000, -0.0000218500000000, 0.0002428000000000 ] - [ -0.0003538400000000, -0.0003129400000000, -0.0001661700000000 ] - [ -0.0001105800000000, -0.0001059800000000, 0.0003759000000000 ] - [ 0.0010526200000000, 0.0003844100000000, -0.0000814100000000 ] - [ -0.0005159700000000, 0.0002868800000000, -0.0033617000000000 ] - [ -0.0000637400000000, -0.0000781700000000, 0.0010807500000000 ] - [ 0.0003048800000000, 0.0000529300000000, -0.0002658900000000 ] - [ -0.0002593100000000, -0.0003050700000000, 0.0003300000000000 ] - [ -0.0002210800000000, 0.0004912900000000, -0.0005093100000000 ] - [ -0.0001271900000000, 0.0001182900000000, 0.0003855700000000 ] - [ 0.0001641000000000, -0.0001213500000000, -0.0005940600000000 ] - [ 0.0000649400000000, 0.0000345100000000, 0.0003546300000000 ] - [ -0.0008825500000000, -0.0006012100000000, -0.0008036100000000 ] - [ 0.0005154800000000, 0.0001375000000000, 0.0005527700000000 ] - [ -0.0001318000000000, -0.0006406000000000, -0.0003671800000000 ] - [ -0.0000126000000000, 0.0000250800000000, 0.0003524900000000 ] - [ -0.0006612400000000, 0.0002851900000000, -0.0003930100000000 ] - [ -0.0000521000000000, 0.0001002900000000, -0.0003555100000000 ] - [ -0.0000172200000000, -0.0002449200000000, 0.0000840500000000 ] - [ -0.0000197900000000, -0.0002600700000000, 0.0002459800000000 ] - [ -0.0031698000000000, -0.0019479400000000, -0.0473312200000000 ] - [ 0.0004279500000000, 0.0000984400000000, 0.0007546800000000 ] - [ -0.0001814400000000, -0.0000325300000000, 0.0003073800000000 ] - [ -0.0003196200000000, -0.0001708600000000, 0.0004748300000000 ] - [ -0.0003095900000000, -0.0004817400000000, -0.0004203500000000 ] - [ 0.0002678500000000, -0.0003197800000000, -0.0003589100000000 ] - [ -0.0002010700000000, 0.0001483500000000, 0.0001931000000000 ] - [ -0.0002057300000000, 0.0001816300000000, 0.0002775300000000 ] - [ -0.0006785500000000, -0.0000382300000000, -0.0002196800000000 ] - [ -0.0001030300000000, -0.0004152500000000, 0.0006491300000000 ] - [ 0.0000551800000000, 0.0009863100000000, -0.0001827100000000 ] - [ -0.0001897900000000, -0.0002008100000000, -0.0001402800000000 ] - [ 0.0002928000000000, 0.0001082400000000, 0.0000918200000000 ] - [ 0.0002443500000000, 0.0000923100000000, 0.0002395100000000 ] - [ 0.0012444900000000, 0.0043614800000000, -0.0466956400000000 ] - [ -0.0002859600000000, 0.0002954500000000, 0.0007443500000000 ] - [ 0.0035795600000000, 0.0000708300000000, -0.0004101500000000 ] - [ -0.0016326600000000, 0.0003978900000000, -0.0000357000000000 ] - [ -0.0000181400000000, 0.0004296300000000, 0.0003046700000000 ] - [ -0.0000059400000000, 0.0003501100000000, 0.0004579000000000 ] - [ -0.0007810400000000, -0.0023215700000000, 0.0021584300000000 ] - [ -0.0000270700000000, 0.0002756500000000, 0.0007594000000000 ] - [ 0.0001723400000000, 0.0001362800000000, -0.0001992600000000 ] - [ 0.0002848700000000, -0.0002807800000000, -0.0001562600000000 ] - [ 0.0003344300000000, -0.0001694000000000, 0.0003341900000000 ] - [ 0.0002948000000000, -0.0001957700000000, 0.0004595300000000 ] - [ 0.0016155400000000, -0.0016729400000000, -0.0004599700000000 ] - [ -0.0001711200000000, 0.0007738900000000, -0.0001908200000000 ] - [ -0.0004781100000000, 0.0000697300000000, -0.0004899600000000 ] - [ 0.0009140700000000, 0.0002344500000000, -0.0003831300000000 ] - [ -0.0002463100000000, -0.0000707000000000, -0.0001751800000000 ] - [ -0.0001843400000000, -0.0001800300000000, -0.0001530700000000 ] - [ 0.0000376600000000, -0.0001526000000000, 0.0003989900000000 ] - [ -0.0002389800000000, 0.0000123600000000, 0.0003701400000000 ] - [ 0.0004629000000000, 0.0002830300000000, 0.0003640900000000 ] - [ 0.0001777700000000, 0.0001036600000000, 0.0002273500000000 ] - [ 0.0004766100000000, 0.0013512400000000, 0.0406191100000000 ] - [ 0.0001661000000000, -0.0003473500000000, -0.0003829400000000 ] - [ 0.0000410900000000, 0.0003015300000000, -0.0000907100000000 ] - [ 0.0000316300000000, 0.0003345600000000, -0.0004319500000000 ] - [ -0.0001086300000000, -0.0000684000000000, -0.0003379600000000 ] - [ -0.0001057300000000, 0.0000664600000000, -0.0004458300000000 ] - [ 0.0008097700000000, -0.0001554900000000, -0.0002300200000000 ] - [ -0.0008723600000000, 0.0003348500000000, -0.0002531500000000 ] - [ 0.0003585000000000, -0.0001849700000000, -0.0000031600000000 ] - [ 0.0002957800000000, -0.0001732900000000, -0.0005478300000000 ] - [ 0.0002045800000000, -0.0004706000000000, 0.0004948800000000 ] - [ -0.0001571600000000, -0.0002584600000000, 0.0003525100000000 ] - [ -0.0011688600000000, 0.0005921200000000, 0.0000913600000000 ] - [ -0.0000209300000000, -0.0002540000000000, -0.0002038000000000 ] - [ 0.0002936300000000, 0.0003349900000000, 0.0003758400000000 ] - [ 0.0002558000000000, 0.0001107500000000, 0.0001719100000000 ] - [ -0.0006623700000000, 0.0005286100000000, 0.0003357500000000 ] - [ -0.0002348500000000, -0.0009400500000000, -0.0000312100000000 ] - [ 0.0001189000000000, 0.0002881500000000, 0.0003881000000000 ] - [ 0.0000905600000000, 0.0004070500000000, 0.0003406300000000 ] - [ -0.0005907200000000, -0.0009815100000000, -0.0000459200000000 ] - [ 0.0003918100000000, 0.0000181200000000, -0.0001290200000000 ] - [ 0.0007850900000000, -0.0008843300000000, 0.0159836300000000 ] - [ 0.0002025200000000, 0.0003287700000000, -0.0002211600000000 ] - [ 0.0000937200000000, -0.0005240900000000, 0.0004053400000000 ] - [ 0.0004031000000000, -0.0001194600000000, 0.0003975300000000 ] - [ -0.0000387900000000, -0.0001650800000000, -0.0002518100000000 ] - [ 0.0000113200000000, -0.0001226700000000, -0.0004864700000000 ] - [ 0.0001504900000000, 0.0000535500000000, -0.0003164500000000 ] - [ 0.0001105700000000, 0.0000772200000000, -0.0004671400000000 ] - [ -0.0008112500000000, -0.0006447200000000, 0.0004472400000000 ] - [ 0.0011853200000000, 0.0001748100000000, -0.0000823000000000 ] - [ -0.0014608000000000, 0.0000056700000000, -0.0028623600000000 ] - [ 0.0007537900000000, -0.0005213100000000, -0.0010384400000000 ] - [ 0.0000651100000000, -0.0003678700000000, -0.0003243800000000 ] - [ 0.0000798600000000, -0.0003709000000000, -0.0004629600000000 ] - [ -0.0002601900000000, -0.0004239000000000, 0.0003740400000000 ] - [ -0.0003838500000000, 0.0001164900000000, 0.0002911500000000 ] - [ 0.0002659500000000, 0.0002653500000000, -0.0002194600000000 ] - [ 0.0002599900000000, 0.0002574600000000, -0.0004935400000000 ] - [ -0.0002892200000000, 0.0000346100000000, 0.0003010800000000 ] - [ -0.0003312400000000, 0.0002076200000000, 0.0001914000000000 ] - [ 0.0003519200000000, -0.0000192900000000, 0.0013624000000000 ] - [ 0.0002542800000000, -0.0002042800000000, -0.0006155900000000 ] - [ -0.0004446100000000, 0.0017752500000000, -0.0003630900000000 ] - [ 0.0004910400000000, -0.0002851600000000, -0.0004751400000000 ] - [ -0.0003625400000000, -0.0001073600000000, -0.0001205000000000 ] - [ -0.0003016200000000, -0.0001268200000000, -0.0004341900000000 ] - [ -0.0000542500000000, -0.0000513500000000, 0.0009733100000000 ] - [ 0.0000058300000000, 0.0003358200000000, -0.0006538300000000 ] - [ 0.0010190700000000, -0.0002234600000000, -0.0006365300000000 ] - [ 0.0005230800000000, 0.0001367200000000, -0.0003187300000000 ] - [ -0.0003131100000000, -0.0001687400000000, -0.0001859700000000 ] - [ -0.0002812400000000, -0.0001722500000000, -0.0004977900000000 ] - [ -0.0003810600000000, 0.0000814800000000, -0.0003235200000000 ] - [ -0.0003692600000000, 0.0000989600000000, -0.0004424400000000 ] - [ -0.0022331300000000, -0.0013174100000000, 0.0151240500000000 ] - [ -0.0003596200000000, 0.0004003600000000, -0.0004593300000000 ] - [ 0.0009551800000000, -0.0004540200000000, 0.0159863300000000 ] - [ -0.0003957700000000, 0.0000325200000000, -0.0002212800000000 ] - [ 0.0005034200000000, 0.0000714700000000, 0.0004220800000000 ] - [ -0.0001742400000000, -0.0001688700000000, 0.0002981800000000 ] - [ 0.0005156800000000, 0.0000042200000000, 0.0004277400000000 ] - [ -0.0003447800000000, 0.0002116000000000, 0.0003805600000000 ] - [ 0.0010352000000000, 0.0010252300000000, -0.0019057000000000 ] - [ -0.0005934100000000, 0.0003663700000000, -0.0009092500000000 ] - [ 0.0007547200000000, 0.0011402400000000, 0.0137407000000000 ] - [ -0.0001645200000000, -0.0005292900000000, -0.0004274700000000 ]- atom: 67 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001617400000000, 0.0000525600000000, -0.0006540500000000 ] - [ 0.0008153900000000, -0.0006090400000000, 0.0009513900000000 ] - [ -0.0002423700000000, 0.0003109500000000, -0.0001693100000000 ] - [ -0.0007358200000000, 0.0005940100000000, 0.0004125300000000 ] - [ 0.0001478700000000, -0.0002352900000000, -0.0000889700000000 ] - [ 0.0000024400000000, -0.0006213900000000, -0.0000379800000000 ] - [ 0.0001388600000000, -0.0000971200000000, 0.0006268700000000 ] - [ 0.0012777400000000, 0.0002090000000000, -0.0004331300000000 ] - [ -0.0002340400000000, -0.0002468200000000, 0.0002037900000000 ] - [ -0.0009421100000000, -0.0005760100000000, -0.0006776200000000 ] - [ 0.0000369700000000, 0.0001933800000000, 0.0000754000000000 ] - [ -0.0000504400000000, 0.0004788300000000, 0.0000199200000000 ] - [ -0.0016975400000000, 0.0012923400000000, -0.0006082200000000 ] - [ -0.0003291900000000, 0.0004290700000000, 0.0001560300000000 ] - [ -0.0024372500000000, -0.0013352100000000, 0.0012154200000000 ] - [ -0.0002951700000000, -0.0003425700000000, -0.0002268100000000 ] - [ 0.0053191100000000, -0.0022264300000000, 0.0004905800000000 ] - [ 0.0001791200000000, 0.0001203600000000, 0.0007516300000000 ] - [ -0.0000963800000000, -0.0017839400000000, 0.0002678000000000 ] - [ 0.0002225400000000, -0.0003174800000000, 0.0000548000000000 ] - [ -0.0002701400000000, 0.0012637400000000, -0.0002063700000000 ] - [ 0.0000710500000000, 0.0002343100000000, -0.0000537200000000 ] - [ 0.0068608300000000, -0.0024260700000000, -0.0031391600000000 ] - [ 0.0002076000000000, -0.0001232900000000, -0.0006705600000000 ] - [ 0.0030188700000000, -0.0011406600000000, 0.0006398800000000 ] - [ 0.0010246600000000, -0.0002884600000000, -0.0006018000000000 ] - [ 0.0561915400000000, 0.0040494300000000, 0.0007145400000000 ] - [ 0.0002521900000000, -0.0002847200000000, 0.0001713700000000 ] - [ 0.0008006400000000, -0.0002500600000000, 0.0004501700000000 ] - [ 0.0004737300000000, 0.0000470300000000, 0.0004683500000000 ] - [ -0.0037733600000000, -0.0009255800000000, 0.0005124900000000 ] - [ -0.0006913700000000, -0.0001861400000000, 0.0003943800000000 ] - [ 0.0014426000000000, -0.0007267200000000, -0.0003221600000000 ] - [ 0.0006102800000000, -0.0005162600000000, -0.0004204700000000 ] - [ 0.0030509500000000, 0.0101044800000000, -0.0003532000000000 ] - [ -0.0001324700000000, 0.0003102700000000, 0.0001825200000000 ] - [ 0.0036956700000000, -0.0025475900000000, 0.0005878900000000 ] - [ 0.0002592600000000, -0.0005522600000000, 0.0004886300000000 ] - [ -0.0018789400000000, 0.0006860400000000, -0.0001189600000000 ] - [ -0.0009768200000000, 0.0004369000000000, -0.0001774200000000 ] - [ 0.0036863000000000, -0.0102411300000000, 0.0007249400000000 ] - [ 0.0003303100000000, 0.0000018000000000, 0.0001682700000000 ] - [ 0.0011899700000000, 0.0015551600000000, 0.0004247200000000 ] - [ -0.0000691600000000, 0.0004457800000000, 0.0004756000000000 ] - [ -0.0002994500000000, 0.0000167400000000, -0.0004743300000000 ] - [ -0.0002620000000000, 0.0001589900000000, -0.0004736900000000 ] - [ -0.0021516200000000, -0.0002442500000000, 0.0003809900000000 ] - [ -0.0003340900000000, 0.0002933400000000, 0.0003913200000000 ] - [ -0.0006684300000000, 0.0006361000000000, -0.0005115700000000 ] - [ -0.0004389600000000, 0.0001671400000000, -0.0004871000000000 ] - [ -0.0024133400000000, -0.0000151800000000, -0.0002608900000000 ] - [ -0.0008843600000000, -0.0001543900000000, -0.0001185300000000 ] - [ -0.0038881800000000, 0.0006101200000000, 0.0002679900000000 ] - [ -0.0000852100000000, -0.0001733700000000, 0.0003768000000000 ] - [ 0.0015704600000000, -0.0008758600000000, -0.0004374600000000 ] - [ 0.0010374700000000, -0.0004699900000000, -0.0005582000000000 ] - [ 0.0024662800000000, 0.0009573400000000, -0.0012416200000000 ] - [ 0.0012912300000000, 0.0005155700000000, -0.0001486200000000 ] - [ -0.0027006100000000, -0.0009562400000000, -0.0001868900000000 ] - [ -0.0013318100000000, -0.0003494600000000, -0.0001651700000000 ] - [ -0.0011673700000000, 0.0008037200000000, -0.0000645600000000 ] - [ -0.0005618800000000, 0.0002680200000000, 0.0005269500000000 ] - [ 0.0001372300000000, 0.0003238400000000, 0.0002583500000000 ] - [ 0.0002378600000000, 0.0002224700000000, 0.0002988600000000 ] - [ -0.0002213100000000, -0.0010741200000000, -0.0000331400000000 ] - [ 0.0001154800000000, -0.0004511000000000, -0.0000255300000000 ] - [ -0.0851675800000000, 0.0022681600000000, 0.0010516700000000 ] - [ -0.0003098400000000, 0.0004008700000000, -0.0002290400000000 ] - [ 0.0016836600000000, 0.0009835800000000, -0.0005337000000000 ] - [ 0.0001018400000000, 0.0001306400000000, -0.0003811500000000 ] - [ -0.0009452800000000, -0.0013432600000000, 0.0016831800000000 ] - [ -0.0006590200000000, -0.0003696700000000, -0.0003580900000000 ] - [ 0.0008200400000000, 0.0000332700000000, -0.0002987100000000 ] - [ 0.0004176000000000, -0.0001378300000000, -0.0002831300000000 ] - [ -0.0009276600000000, 0.0014118500000000, -0.0016591100000000 ] - [ -0.0005065700000000, 0.0003054700000000, 0.0010504200000000 ] - [ -0.0006575200000000, 0.0002658000000000, 0.0001367500000000 ] - [ -0.0005188700000000, 0.0001417300000000, -0.0000384200000000 ] - [ 0.0036008900000000, -0.0001931600000000, -0.0013885900000000 ] - [ 0.0012774000000000, 0.0000653200000000, 0.0009145000000000 ] - [ -0.0029324000000000, 0.0006236000000000, 0.0005301300000000 ] - [ -0.0013368500000000, 0.0000044900000000, -0.0001224000000000 ] - [ 0.0025647600000000, 0.0004857700000000, 0.0003646800000000 ] - [ 0.0010993300000000, 0.0004030300000000, 0.0003739900000000 ] - [ 0.0009280100000000, -0.0005090400000000, 0.0001724900000000 ] - [ 0.0004862900000000, -0.0004115100000000, 0.0002564300000000 ] - [ -0.0022733300000000, -0.0004026000000000, 0.0001561900000000 ] - [ -0.0000507700000000, 0.0002870500000000, -0.0000519100000000 ] - [ 0.0015447900000000, 0.0002737700000000, 0.0001295900000000 ] - [ 0.0008654300000000, -0.0000605800000000, 0.0005298800000000 ] - [ 0.0034825700000000, 0.0002834300000000, -0.0003654300000000 ] - [ 0.0003530600000000, -0.0001019800000000, -0.0003772000000000 ] - [ 0.0020668900000000, -0.0009241900000000, -0.0003258900000000 ] - [ 0.0003434700000000, 0.0000060800000000, -0.0003672000000000 ] - [ 0.0006920600000000, 0.0003755300000000, -0.0001551500000000 ] - [ 0.0006132300000000, 0.0001498600000000, 0.0002294400000000 ] - [ 0.0002423200000000, -0.0006144700000000, 0.0001159500000000 ] - [ 0.0002469700000000, -0.0004588000000000, -0.0000128800000000 ] - [ -0.0065040800000000, -0.0003326000000000, -0.0004013400000000 ] - [ -0.0000192500000000, -0.0003793300000000, -0.0003758100000000 ] - [ 0.0013493300000000, -0.0006325100000000, 0.0008665100000000 ] - [ 0.0003641200000000, -0.0003031400000000, 0.0000985500000000 ] - [ 0.0040709400000000, -0.0418696000000000, -0.0015785100000000 ] - [ 0.0001125900000000, 0.0002327900000000, -0.0003704000000000 ] - [ 0.0020251700000000, 0.0020318100000000, 0.0016934300000000 ] - [ 0.0004785300000000, 0.0006020300000000, -0.0004679300000000 ] - [ 0.0018092800000000, -0.0044648500000000, 0.0001914400000000 ] - [ 0.0002288500000000, -0.0003251900000000, -0.0002313400000000 ] - [ -0.0006902300000000, -0.0004095800000000, -0.0005958100000000 ] - [ -0.0001932900000000, 0.0000886800000000, 0.0003888500000000 ] - [ 0.0015325300000000, 0.0042861900000000, -0.0006747100000000 ] - [ -0.0003597500000000, -0.0000074800000000, -0.0002309400000000 ] - [ 0.0029481400000000, 0.0002248800000000, -0.0006554700000000 ] - [ 0.0002072600000000, 0.0003245100000000, -0.0002612700000000 ] - [ -0.0003520800000000, 0.0038392000000000, -0.0003893600000000 ] - [ 0.0003325600000000, 0.0003706300000000, -0.0000523000000000 ] - [ 0.0041117000000000, -0.0003830200000000, -0.0000023200000000 ] - [ -0.0000248900000000, -0.0001796700000000, -0.0003191800000000 ] - [ 0.0033095700000000, 0.0408021100000000, 0.0007126400000000 ] - [ -0.0005010800000000, 0.0001141200000000, -0.0003729800000000 ] - [ 0.0001533800000000, 0.0006549300000000, -0.0000442300000000 ] - [ -0.0002468500000000, 0.0004445900000000, -0.0000778000000000 ] - [ -0.0011657000000000, 0.0011697500000000, -0.0000845600000000 ] - [ -0.0004959000000000, 0.0001234300000000, -0.0000363900000000 ] - [ -0.0009833900000000, -0.0007669300000000, 0.0005987900000000 ] - [ -0.0003573200000000, -0.0003515000000000, 0.0003144600000000 ] - [ -0.0026398600000000, 0.0000151500000000, 0.0009339100000000 ] - [ -0.0010258800000000, 0.0001080500000000, 0.0002144900000000 ] - [ 0.0000779400000000, -0.0000518700000000, 0.0001862700000000 ] - [ -0.0000680800000000, 0.0002423900000000, 0.0000380600000000 ] - [ -0.0004580000000000, -0.0023355300000000, 0.0003498600000000 ] - [ -0.0002341700000000, -0.0006792800000000, -0.0000958900000000 ]- atom: 67 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002979900000000, 0.0001775200000000, 0.0006617500000000 ] - [ -0.0010068200000000, 0.0008192300000000, -0.0008887300000000 ] - [ 0.0000905400000000, -0.0000505500000000, 0.0001693700000000 ] - [ 0.0005783700000000, -0.0003349600000000, -0.0004085700000000 ] - [ 0.0001552000000000, 0.0002383800000000, 0.0000898700000000 ] - [ 0.0003021100000000, 0.0006285800000000, 0.0000404000000000 ] - [ -0.0002888900000000, -0.0001651500000000, -0.0006214700000000 ] - [ -0.0013905200000000, -0.0005025600000000, 0.0004816500000000 ] - [ 0.0001000500000000, 0.0000109900000000, -0.0002044400000000 ] - [ 0.0008151700000000, 0.0003370100000000, 0.0006830100000000 ] - [ 0.0002311500000000, -0.0001909900000000, -0.0000751200000000 ] - [ 0.0003176200000000, -0.0004714900000000, -0.0000165500000000 ] - [ 0.0014580300000000, -0.0009153300000000, 0.0005980800000000 ] - [ 0.0001063800000000, -0.0000458300000000, -0.0001534700000000 ] - [ 0.0022614900000000, 0.0009773100000000, -0.0012276600000000 ] - [ 0.0000971500000000, -0.0000038200000000, 0.0002296300000000 ] - [ -0.0058698800000000, 0.0024765800000000, -0.0007821100000000 ] - [ -0.0003787600000000, 0.0002223600000000, -0.0007534800000000 ] - [ 0.0005488700000000, 0.0018073600000000, -0.0002759300000000 ] - [ 0.0002216900000000, 0.0003195000000000, -0.0000531700000000 ] - [ 0.0006607200000000, -0.0012392300000000, 0.0001965200000000 ] - [ 0.0003270500000000, -0.0002316400000000, 0.0000561600000000 ] - [ -0.0068840800000000, 0.0018184300000000, 0.0029022800000000 ] - [ -0.0004297000000000, -0.0002625000000000, 0.0006698400000000 ] - [ -0.0036180400000000, 0.0014651800000000, -0.0014301700000000 ] - [ -0.0016394900000000, 0.0006173900000000, -0.0001690700000000 ] - [ -0.0564090800000000, -0.0066989400000000, -0.0004394600000000 ] - [ -0.0003242000000000, -0.0002626300000000, 0.0001779400000000 ] - [ 0.0000255100000000, 0.0004462200000000, 0.0004996400000000 ] - [ 0.0003514700000000, 0.0001389800000000, 0.0004821800000000 ] - [ 0.0031442200000000, 0.0005781400000000, 0.0002633600000000 ] - [ 0.0000590000000000, -0.0001589900000000, 0.0003836100000000 ] - [ -0.0014220100000000, 0.0000178000000000, -0.0004607900000000 ] - [ -0.0005899700000000, -0.0001980500000000, -0.0003527500000000 ] - [ -0.0034886100000000, -0.0095876800000000, 0.0007003800000000 ] - [ -0.0002996100000000, 0.0000293600000000, 0.0001664800000000 ] - [ -0.0039252900000000, 0.0017642700000000, 0.0003616100000000 ] - [ -0.0004937600000000, -0.0002482800000000, 0.0004622200000000 ] - [ 0.0018021000000000, -0.0001538200000000, -0.0002299800000000 ] - [ 0.0008946100000000, 0.0001043000000000, -0.0001714700000000 ] - [ -0.0031582600000000, 0.0106110000000000, -0.0003794700000000 ] - [ 0.0001843200000000, 0.0001984000000000, 0.0001807300000000 ] - [ -0.0017593400000000, -0.0009338100000000, 0.0005247900000000 ] - [ -0.0004936500000000, 0.0001624900000000, 0.0004753500000000 ] - [ 0.0000524600000000, 0.0008016600000000, -0.0004769600000000 ] - [ 0.0000122400000000, 0.0006519800000000, -0.0004773900000000 ] - [ 0.0021694700000000, 0.0009776000000000, 0.0003953200000000 ] - [ 0.0003512800000000, 0.0004277800000000, 0.0003862700000000 ] - [ 0.0000839800000000, -0.0012253600000000, -0.0004401400000000 ] - [ -0.0001418300000000, -0.0007672500000000, -0.0004645600000000 ] - [ 0.0029371100000000, -0.0001898900000000, -0.0000864100000000 ] - [ 0.0013962300000000, -0.0000493000000000, -0.0002308400000000 ] - [ 0.0044768900000000, -0.0009754300000000, 0.0005070200000000 ] - [ 0.0006833100000000, -0.0001971700000000, 0.0004008400000000 ] - [ -0.0007578200000000, 0.0007105400000000, -0.0005108300000000 ] - [ -0.0002288000000000, 0.0002905700000000, -0.0003929000000000 ] - [ -0.0018772800000000, -0.0005837200000000, 0.0004530700000000 ] - [ -0.0006829200000000, -0.0001426500000000, -0.0006239500000000 ] - [ 0.0022619900000000, 0.0006164500000000, -0.0001611300000000 ] - [ 0.0008964700000000, 0.0000143700000000, -0.0001842100000000 ] - [ 0.0009407400000000, -0.0009215300000000, 0.0008281500000000 ] - [ 0.0003360100000000, -0.0003854700000000, 0.0002252000000000 ] - [ 0.0004284400000000, -0.0000165200000000, 0.0003196200000000 ] - [ 0.0003274800000000, 0.0000882000000000, 0.0002727000000000 ] - [ 0.0005660100000000, 0.0003728800000000, -0.0000361000000000 ] - [ 0.0002298400000000, -0.0002416100000000, -0.0000442300000000 ] - [ 0.0855269700000000, 0.0005136000000000, -0.0010490200000000 ] - [ 0.0003919100000000, 0.0003032800000000, -0.0002346000000000 ] - [ -0.0019153700000000, -0.0008725700000000, -0.0002192500000000 ] - [ -0.0003275800000000, -0.0000148900000000, -0.0003751500000000 ] - [ 0.0003886400000000, 0.0016932300000000, -0.0011078600000000 ] - [ 0.0000910300000000, 0.0007068700000000, 0.0009305700000000 ] - [ -0.0002463500000000, -0.0003737900000000, -0.0002722700000000 ] - [ 0.0001564100000000, -0.0001937000000000, -0.0002898100000000 ] - [ 0.0008909300000000, -0.0020463500000000, 0.0022328000000000 ] - [ 0.0004758800000000, -0.0009541600000000, -0.0004805100000000 ] - [ -0.0001179400000000, -0.0003219600000000, -0.0000669100000000 ] - [ -0.0002518800000000, -0.0001908900000000, 0.0001081000000000 ] - [ -0.0030187500000000, 0.0006075800000000, 0.0018419800000000 ] - [ -0.0007082600000000, 0.0003534300000000, -0.0004516900000000 ] - [ 0.0021875400000000, -0.0014240200000000, -0.0003944500000000 ] - [ 0.0005897500000000, -0.0007965800000000, 0.0002742500000000 ] - [ -0.0023811800000000, 0.0002350600000000, 0.0003849500000000 ] - [ -0.0009102000000000, 0.0003202300000000, 0.0003735800000000 ] - [ -0.0008486000000000, -0.0001698500000000, 0.0002926000000000 ] - [ -0.0004055500000000, -0.0002739500000000, 0.0002037900000000 ] - [ 0.0026892900000000, 0.0010338900000000, -0.0002200200000000 ] - [ 0.0004639000000000, 0.0003672200000000, -0.0000177400000000 ] - [ -0.0010150900000000, -0.0007968200000000, 0.0006211800000000 ] - [ -0.0003333400000000, -0.0004668600000000, 0.0002210100000000 ] - [ -0.0034697600000000, -0.0005332900000000, -0.0003897700000000 ] - [ -0.0003424000000000, -0.0001516700000000, -0.0003786500000000 ] - [ -0.0018569600000000, 0.0010564300000000, -0.0004290800000000 ] - [ -0.0001350400000000, 0.0001333100000000, -0.0003885900000000 ] - [ 0.0003653200000000, -0.0006314500000000, 0.0003079300000000 ] - [ 0.0004482500000000, -0.0004015500000000, -0.0000811000000000 ] - [ 0.0001907300000000, -0.0000438500000000, -0.0000460800000000 ] - [ 0.0001850400000000, -0.0001957800000000, 0.0000812300000000 ] - [ 0.0066808000000000, -0.0004306700000000, -0.0003444300000000 ] - [ 0.0001914300000000, -0.0003453700000000, -0.0003727600000000 ] - [ -0.0020760100000000, 0.0004275200000000, -0.0001209900000000 ] - [ -0.0010810300000000, 0.0000923200000000, 0.0006517500000000 ] - [ -0.0034109100000000, 0.0425034200000000, 0.0008467300000000 ] - [ 0.0004186300000000, 0.0002949700000000, -0.0003786400000000 ] - [ -0.0026809300000000, -0.0017630200000000, -0.0012422200000000 ] - [ -0.0011193300000000, -0.0003122700000000, 0.0009335100000000 ] - [ -0.0011981800000000, 0.0040071600000000, -0.0006493700000000 ] - [ 0.0003426500000000, -0.0000811700000000, -0.0002327700000000 ] - [ 0.0010528800000000, 0.0010791400000000, 0.0006587600000000 ] - [ 0.0005533100000000, 0.0005932900000000, -0.0003187100000000 ] - [ -0.0022114400000000, -0.0046125400000000, 0.0002176200000000 ] - [ -0.0002769500000000, -0.0002689100000000, -0.0002337200000000 ] - [ -0.0029611500000000, 0.0004376000000000, 0.0000904500000000 ] - [ -0.0002188900000000, 0.0003237900000000, -0.0003124800000000 ] - [ 0.0014077400000000, -0.0036024700000000, 0.0002462300000000 ] - [ 0.0007264200000000, -0.0001175600000000, -0.0000997500000000 ] - [ -0.0046418800000000, 0.0000414400000000, -0.0005636200000000 ] - [ -0.0005262800000000, -0.0001705400000000, -0.0002532200000000 ] - [ -0.0041561300000000, -0.0405113500000000, -0.0014529900000000 ] - [ -0.0002233000000000, 0.0000817400000000, -0.0003780400000000 ] - [ -0.0009043200000000, 0.0001335600000000, -0.0001056500000000 ] - [ -0.0005005500000000, 0.0003525300000000, -0.0000727300000000 ] - [ 0.0003813200000000, -0.0011341000000000, 0.0000157600000000 ] - [ -0.0002861000000000, -0.0000770200000000, -0.0000331700000000 ] - [ 0.0011989100000000, 0.0006277600000000, 0.0001628600000000 ] - [ 0.0005696600000000, 0.0002146400000000, 0.0004379700000000 ] - [ 0.0026601300000000, 0.0002312300000000, -0.0001597200000000 ] - [ 0.0010430800000000, 0.0001418800000000, 0.0005359200000000 ] - [ -0.0003791900000000, 0.0010900000000000, -0.0000341900000000 ] - [ -0.0002374500000000, 0.0007995600000000, 0.0001101100000000 ] - [ 0.0001555000000000, 0.0012813500000000, -0.0004955200000000 ] - [ -0.0000759400000000, -0.0003647400000000, -0.0000559200000000 ]- atom: 67 displacement: [ -0.0050000000040513, 0.0086602540355054, 0.0000000000000000 ] forces: - [ -0.0002932400000000, 0.0004967100000000, 0.0000023700000000 ] - [ -0.0012106300000000, 0.0023821500000000, 0.0000266400000000 ] - [ 0.0001302400000000, 0.0000161500000000, 0.0002465800000000 ] - [ 0.0012243600000000, -0.0000537300000000, -0.0009448000000000 ] - [ -0.0000382400000000, -0.0001457000000000, 0.0001076600000000 ] - [ -0.0004191600000000, -0.0007468200000000, -0.0003495600000000 ] - [ -0.0000933000000000, 0.0001580100000000, -0.0009009100000000 ] - [ -0.0000167600000000, 0.0010041800000000, 0.0008531100000000 ] - [ -0.0001002700000000, 0.0000457300000000, 0.0000772300000000 ] - [ -0.0008172900000000, 0.0005272500000000, -0.0006736600000000 ] - [ 0.0003672000000000, -0.0004506600000000, 0.0000236700000000 ] - [ 0.0007955800000000, -0.0014364800000000, -0.0006034900000000 ] - [ 0.0032875000000000, -0.0003104800000000, 0.0016023100000000 ] - [ 0.0000996200000000, 0.0000523000000000, -0.0002957300000000 ] - [ -0.0023020500000000, 0.0014949100000000, 0.0013817700000000 ] - [ -0.0000782900000000, 0.0000919800000000, -0.0001363700000000 ] - [ -0.0053690300000000, 0.0066480700000000, -0.0009726400000000 ] - [ -0.0003548600000000, 0.0005818200000000, -0.0000355400000000 ] - [ -0.0013828900000000, -0.0021330000000000, 0.0005957000000000 ] - [ -0.0000031000000000, -0.0001855300000000, -0.0001568600000000 ] - [ 0.0018844300000000, -0.0039476400000000, 0.0014255600000000 ] - [ 0.0004862700000000, -0.0005369100000000, -0.0001370800000000 ] - [ -0.0025791800000000, 0.0051238000000000, 0.0021098600000000 ] - [ -0.0001989400000000, 0.0000355600000000, 0.0009384100000000 ] - [ -0.0033655000000000, 0.0029146700000000, 0.0006763500000000 ] - [ -0.0014599700000000, 0.0014671100000000, -0.0007983100000000 ] - [ -0.0218539700000000, 0.3233279800000000, 0.0113619400000000 ] - [ -0.0001639500000000, 0.0002475200000000, 0.0001870700000000 ] - [ 0.0000693000000000, -0.0021630500000000, 0.0004335100000000 ] - [ 0.0003552400000000, -0.0001396200000000, 0.0004552600000000 ] - [ 0.0014306900000000, 0.0009417800000000, 0.0003374000000000 ] - [ -0.0001309200000000, -0.0000772400000000, 0.0003756000000000 ] - [ -0.0009189700000000, -0.0014056600000000, 0.0005424300000000 ] - [ -0.0004055000000000, -0.0007027600000000, -0.0008169800000000 ] - [ 0.0010314300000000, -0.0225787100000000, 0.0013395500000000 ] - [ -0.0001567300000000, 0.0001863700000000, 0.0001652000000000 ] - [ -0.0041190000000000, -0.0040011800000000, 0.0004678300000000 ] - [ -0.0004545800000000, -0.0005277900000000, 0.0004539900000000 ] - [ 0.0008077700000000, 0.0014213800000000, -0.0001295900000000 ] - [ 0.0003669900000000, 0.0009452400000000, -0.0001933900000000 ] - [ -0.0046693300000000, -0.0117625600000000, 0.0007210200000000 ] - [ 0.0001441000000000, 0.0002411700000000, 0.0001724200000000 ] - [ 0.0019812000000000, -0.0038943800000000, 0.0004309000000000 ] - [ -0.0003207900000000, -0.0000217300000000, 0.0004574700000000 ] - [ -0.0005951400000000, -0.0010036900000000, -0.0005364700000000 ] - [ -0.0003145200000000, -0.0002110100000000, -0.0004222200000000 ] - [ 0.0012493000000000, -0.0006896900000000, 0.0003945200000000 ] - [ 0.0002387600000000, 0.0002178200000000, 0.0003809700000000 ] - [ 0.0008565300000000, -0.0027792200000000, -0.0005056800000000 ] - [ 0.0001934100000000, -0.0014891300000000, -0.0003911600000000 ] - [ 0.0012172700000000, 0.0000294400000000, -0.0002217500000000 ] - [ 0.0005928900000000, -0.0000269400000000, -0.0001438600000000 ] - [ 0.0033127300000000, -0.0006022000000000, 0.0004817900000000 ] - [ 0.0006224800000000, -0.0001356500000000, 0.0003915000000000 ] - [ -0.0004074500000000, -0.0026016200000000, -0.0009348600000000 ] - [ -0.0001382700000000, -0.0008548300000000, -0.0002038300000000 ] - [ 0.0003111500000000, 0.0006681500000000, 0.0018115400000000 ] - [ 0.0001963500000000, 0.0006712100000000, -0.0010568500000000 ] - [ 0.0025685300000000, 0.0014609400000000, -0.0000611700000000 ] - [ 0.0009799100000000, 0.0002957100000000, -0.0002001800000000 ] - [ 0.0005565800000000, -0.0010046700000000, -0.0006402200000000 ] - [ 0.0001506100000000, -0.0006373700000000, 0.0008514500000000 ] - [ 0.0006227200000000, 0.0011256800000000, -0.0002471700000000 ] - [ 0.0003985900000000, 0.0004747200000000, 0.0006276200000000 ] - [ 0.0002025200000000, 0.0027965700000000, 0.0000030600000000 ] - [ 0.0002458400000000, -0.0000866300000000, -0.0000250000000000 ] - [ 0.0422910600000000, -0.4183295900000000, -0.0186568600000000 ] - [ 0.0002571300000000, -0.0000523800000000, -0.0002021500000000 ] - [ -0.0005692300000000, -0.0003815400000000, -0.0003502300000000 ] - [ -0.0001954700000000, 0.0000174900000000, -0.0003659300000000 ] - [ -0.0009422100000000, -0.0004302800000000, -0.0011618900000000 ] - [ -0.0003592700000000, -0.0001464000000000, 0.0008357600000000 ] - [ 0.0000918700000000, 0.0010715600000000, -0.0003099400000000 ] - [ 0.0001971900000000, -0.0000359400000000, -0.0002708000000000 ] - [ 0.0011398400000000, -0.0038660700000000, 0.0011439800000000 ] - [ 0.0004936200000000, -0.0017099400000000, -0.0001795800000000 ] - [ 0.0005041100000000, 0.0016837000000000, 0.0000451900000000 ] - [ -0.0000205200000000, 0.0006202500000000, 0.0000066500000000 ] - [ -0.0044208800000000, 0.0013011500000000, 0.0026119200000000 ] - [ -0.0010541800000000, 0.0005821600000000, -0.0006659100000000 ] - [ 0.0013838300000000, 0.0008185500000000, 0.0022695100000000 ] - [ 0.0002633500000000, -0.0001574400000000, -0.0006059300000000 ] - [ -0.0017575800000000, 0.0003641400000000, 0.0001876600000000 ] - [ -0.0005675400000000, 0.0003999800000000, 0.0004892000000000 ] - [ -0.0002553000000000, -0.0011795000000000, -0.0002406900000000 ] - [ -0.0001220000000000, -0.0007756700000000, 0.0005473100000000 ] - [ 0.0002173900000000, 0.0063126600000000, -0.0000958000000000 ] - [ 0.0003530400000000, 0.0004986700000000, -0.0000016800000000 ] - [ -0.0006982100000000, -0.0015223900000000, 0.0004783100000000 ] - [ -0.0002101500000000, -0.0007909400000000, 0.0002810100000000 ] - [ -0.0021857200000000, -0.0007047900000000, -0.0003765800000000 ] - [ -0.0002173800000000, -0.0002099800000000, -0.0003730600000000 ] - [ -0.0012688000000000, 0.0008996200000000, -0.0004341900000000 ] - [ -0.0000911400000000, 0.0001391400000000, -0.0003798900000000 ] - [ 0.0012024100000000, 0.0005777000000000, -0.0002058800000000 ] - [ 0.0007791900000000, 0.0001483700000000, 0.0002237300000000 ] - [ 0.0002272600000000, 0.0006271700000000, -0.0000761100000000 ] - [ 0.0002230600000000, 0.0001187200000000, 0.0000940400000000 ] - [ 0.0033245300000000, 0.0066000400000000, -0.0008138500000000 ] - [ 0.0001198600000000, -0.0004016100000000, -0.0003653100000000 ] - [ -0.0006781100000000, -0.0004157000000000, 0.0003569500000000 ] - [ -0.0004783500000000, -0.0002737300000000, 0.0003714900000000 ] - [ -0.0284616600000000, 0.0703857000000000, 0.0013847200000000 ] - [ 0.0003912200000000, 0.0000657100000000, -0.0003815000000000 ] - [ -0.0010026600000000, 0.0000170200000000, -0.0002765600000000 ] - [ -0.0004637600000000, 0.0002397100000000, 0.0003894100000000 ] - [ -0.0070932700000000, 0.0096142600000000, -0.0014339200000000 ] - [ 0.0002732400000000, -0.0000893500000000, -0.0002262200000000 ] - [ 0.0000836100000000, 0.0026753000000000, 0.0008948000000000 ] - [ 0.0002367100000000, 0.0012349400000000, -0.0004585000000000 ] - [ 0.0055305800000000, 0.0049691300000000, -0.0009597300000000 ] - [ -0.0002489000000000, -0.0001638100000000, -0.0002309900000000 ] - [ -0.0019006800000000, -0.0011260400000000, -0.0004253200000000 ] - [ -0.0000667600000000, 0.0001681700000000, -0.0002824100000000 ] - [ 0.0037872100000000, 0.0016484900000000, 0.0003152500000000 ] - [ 0.0007191700000000, 0.0001167200000000, -0.0000711100000000 ] - [ -0.0034610000000000, -0.0019106700000000, -0.0008631800000000 ] - [ -0.0005617900000000, -0.0003446800000000, -0.0002283100000000 ] - [ 0.0229233800000000, 0.0235732000000000, -0.0000208700000000 ] - [ -0.0003564000000000, -0.0001072400000000, -0.0003872800000000 ] - [ -0.0001936200000000, 0.0017407800000000, 0.0000329700000000 ] - [ -0.0004180100000000, 0.0005252900000000, -0.0000722200000000 ] - [ 0.0004151100000000, 0.0026048800000000, -0.0000342000000000 ] - [ -0.0003171500000000, 0.0001644700000000, -0.0000162200000000 ] - [ 0.0005634600000000, 0.0001617100000000, -0.0007644900000000 ] - [ 0.0002902100000000, -0.0001224900000000, 0.0009103600000000 ] - [ 0.0015363100000000, -0.0007000200000000, -0.0009041400000000 ] - [ 0.0005916000000000, -0.0003002200000000, 0.0007136900000000 ] - [ -0.0012286400000000, 0.0017066100000000, -0.0003447600000000 ] - [ -0.0005785700000000, 0.0010429300000000, 0.0002632100000000 ] - [ -0.0019998400000000, 0.0023460500000000, -0.0004688800000000 ] - [ -0.0002120800000000, -0.0002814900000000, -0.0000400200000000 ]- atom: 67 displacement: [ 0.0050000000040513, -0.0086602540355054, 0.0000000000000000 ] forces: - [ 0.0001593500000000, -0.0002645500000000, -0.0000077000000000 ] - [ 0.0010607900000000, -0.0021555700000000, -0.0000078100000000 ] - [ -0.0002820200000000, 0.0002475700000000, -0.0002457400000000 ] - [ -0.0013677700000000, 0.0003203300000000, 0.0009372400000000 ] - [ 0.0003403100000000, 0.0001443200000000, -0.0001080700000000 ] - [ 0.0007181800000000, 0.0007427500000000, 0.0003484400000000 ] - [ -0.0000537100000000, -0.0004206700000000, 0.0009081400000000 ] - [ -0.0000708600000000, -0.0013006000000000, -0.0007817800000000 ] - [ -0.0000345600000000, -0.0002806400000000, -0.0000766700000000 ] - [ 0.0006834600000000, -0.0007622600000000, 0.0006731700000000 ] - [ -0.0000999400000000, 0.0004519400000000, -0.0000206600000000 ] - [ -0.0005283300000000, 0.0014318000000000, 0.0005968400000000 ] - [ -0.0034937700000000, 0.0007083800000000, -0.0015899100000000 ] - [ -0.0003227100000000, 0.0003353300000000, 0.0002953200000000 ] - [ 0.0021075700000000, -0.0018411100000000, -0.0013810400000000 ] - [ -0.0001204600000000, -0.0004369300000000, 0.0001362800000000 ] - [ 0.0051221000000000, -0.0063587400000000, 0.0009211500000000 ] - [ 0.0001573300000000, -0.0002356600000000, 0.0000445400000000 ] - [ 0.0018228700000000, 0.0021236600000000, -0.0005938300000000 ] - [ 0.0004464400000000, 0.0001819000000000, 0.0001576800000000 ] - [ -0.0014965800000000, 0.0039416100000000, -0.0014160000000000 ] - [ -0.0000896400000000, 0.0005376400000000, 0.0001356100000000 ] - [ 0.0027025900000000, -0.0057258500000000, -0.0024329800000000 ] - [ -0.0000195400000000, -0.0004215400000000, -0.0009408300000000 ] - [ 0.0027733100000000, -0.0025666300000000, -0.0014585800000000 ] - [ 0.0008475900000000, -0.0011296300000000, 0.0000245000000000 ] - [ 0.0241767100000000, -0.3053594700000000, -0.0101874400000000 ] - [ 0.0000936600000000, -0.0007884700000000, 0.0001619100000000 ] - [ 0.0007684700000000, 0.0023565800000000, 0.0005166800000000 ] - [ 0.0004718800000000, 0.0003286100000000, 0.0004950300000000 ] - [ -0.0020815200000000, -0.0012858500000000, 0.0004400800000000 ] - [ -0.0005051600000000, -0.0002674400000000, 0.0004020500000000 ] - [ 0.0009329200000000, 0.0006897400000000, -0.0013151100000000 ] - [ 0.0004229600000000, -0.0000149600000000, 0.0000391600000000 ] - [ -0.0015250000000000, 0.0228162800000000, -0.0009785400000000 ] - [ -0.0002751800000000, 0.0001565000000000, 0.0001834300000000 ] - [ 0.0039327700000000, 0.0031875000000000, 0.0004826300000000 ] - [ 0.0002266800000000, -0.0002787300000000, 0.0004969200000000 ] - [ -0.0009048800000000, -0.0008707200000000, -0.0002186100000000 ] - [ -0.0004574100000000, -0.0003963300000000, -0.0001554000000000 ] - [ 0.0051404600000000, 0.0120306900000000, -0.0003732000000000 ] - [ 0.0003682300000000, -0.0000408200000000, 0.0001762100000000 ] - [ -0.0025456900000000, 0.0045070700000000, 0.0005197200000000 ] - [ -0.0002421800000000, 0.0006275400000000, 0.0004932700000000 ] - [ 0.0003529600000000, 0.0018128600000000, -0.0004143700000000 ] - [ 0.0000689000000000, 0.0010182100000000, -0.0005292100000000 ] - [ -0.0012457500000000, 0.0013999500000000, 0.0003815900000000 ] - [ -0.0002252900000000, 0.0005023200000000, 0.0003963500000000 ] - [ -0.0014338200000000, 0.0021814600000000, -0.0004446900000000 ] - [ -0.0007726300000000, 0.0008849700000000, -0.0005610100000000 ] - [ -0.0007369800000000, -0.0002314400000000, -0.0001279800000000 ] - [ -0.0000976700000000, -0.0001753200000000, -0.0002044000000000 ] - [ -0.0027263300000000, 0.0002304300000000, 0.0002937500000000 ] - [ -0.0000250300000000, -0.0002358500000000, 0.0003856700000000 ] - [ 0.0012296000000000, 0.0024069200000000, -0.0000130100000000 ] - [ 0.0009520800000000, 0.0006585800000000, -0.0007479700000000 ] - [ 0.0002927500000000, -0.0002635100000000, -0.0025707400000000 ] - [ 0.0004197500000000, -0.0002847500000000, 0.0002775700000000 ] - [ -0.0030278100000000, -0.0018075000000000, -0.0002873800000000 ] - [ -0.0014213500000000, -0.0006312300000000, -0.0001491700000000 ] - [ -0.0007814700000000, 0.0008788400000000, 0.0013938300000000 ] - [ -0.0003752200000000, 0.0005173900000000, -0.0000953300000000 ] - [ -0.0000498700000000, -0.0008044300000000, 0.0008192900000000 ] - [ 0.0001701900000000, -0.0001531600000000, -0.0000508100000000 ] - [ 0.0001365200000000, -0.0034979100000000, -0.0000728400000000 ] - [ 0.0001012500000000, -0.0006066800000000, -0.0000448500000000 ] - [ -0.0444831400000000, 0.3995033700000000, 0.0175580000000000 ] - [ -0.0001781900000000, 0.0007508900000000, -0.0002617800000000 ] - [ 0.0003573700000000, 0.0005020300000000, -0.0004061700000000 ] - [ -0.0000259800000000, 0.0000989800000000, -0.0003897900000000 ] - [ 0.0003684200000000, 0.0007412200000000, 0.0017334300000000 ] - [ -0.0002189600000000, 0.0004687300000000, -0.0002618800000000 ] - [ 0.0004892700000000, -0.0014007700000000, -0.0002623800000000 ] - [ 0.0003792800000000, -0.0003006800000000, -0.0003027800000000 ] - [ -0.0011744200000000, 0.0032205300000000, -0.0005699600000000 ] - [ -0.0005193500000000, 0.0010544900000000, 0.0007523000000000 ] - [ -0.0012810500000000, -0.0017241800000000, 0.0000250500000000 ] - [ -0.0007521800000000, -0.0006609500000000, 0.0000631700000000 ] - [ 0.0050224400000000, -0.0008904700000000, -0.0021717200000000 ] - [ 0.0016236300000000, -0.0001634400000000, 0.0011331600000000 ] - [ -0.0021566400000000, -0.0015830300000000, -0.0021205200000000 ] - [ -0.0010205500000000, -0.0006137600000000, 0.0007521900000000 ] - [ 0.0019699900000000, 0.0003596300000000, 0.0005596600000000 ] - [ 0.0007667300000000, 0.0003240700000000, 0.0002592600000000 ] - [ 0.0003388000000000, 0.0004906700000000, 0.0007013600000000 ] - [ 0.0002042500000000, 0.0000884100000000, -0.0000830100000000 ] - [ 0.0001797200000000, -0.0057169700000000, 0.0000304300000000 ] - [ 0.0000576700000000, 0.0001598500000000, -0.0000682600000000 ] - [ 0.0012377100000000, 0.0010010100000000, 0.0002714000000000 ] - [ 0.0007448200000000, 0.0002637900000000, 0.0004698200000000 ] - [ 0.0022068200000000, 0.0004556200000000, -0.0003788200000000 ] - [ 0.0002303900000000, -0.0000417900000000, -0.0003824400000000 ] - [ 0.0014825900000000, -0.0007607100000000, -0.0003201900000000 ] - [ 0.0002996100000000, -0.0000004600000000, -0.0003756900000000 ] - [ -0.0001517800000000, -0.0008349800000000, 0.0003574300000000 ] - [ 0.0002749800000000, -0.0004037200000000, -0.0000714700000000 ] - [ 0.0002006900000000, -0.0012831400000000, 0.0001445700000000 ] - [ 0.0002068500000000, -0.0007730800000000, -0.0000240600000000 ] - [ -0.0030765500000000, -0.0073035600000000, 0.0000655700000000 ] - [ 0.0000525400000000, -0.0003222100000000, -0.0003826200000000 ] - [ -0.0000209800000000, 0.0001996100000000, 0.0003961400000000 ] - [ -0.0002282500000000, 0.0000593900000000, 0.0003749000000000 ] - [ 0.0283977600000000, -0.0684030700000000, -0.0020669100000000 ] - [ 0.0001385800000000, 0.0004592900000000, -0.0003667600000000 ] - [ 0.0003895200000000, 0.0002903200000000, 0.0007534100000000 ] - [ -0.0001614400000000, 0.0000572200000000, 0.0000668800000000 ] - [ 0.0076036900000000, -0.0099286100000000, 0.0009580500000000 ] - [ 0.0002949600000000, -0.0003158100000000, -0.0002383200000000 ] - [ 0.0002703800000000, -0.0019881500000000, -0.0008301700000000 ] - [ 0.0001207200000000, -0.0005442300000000, 0.0005294200000000 ] - [ -0.0061578500000000, -0.0052530500000000, 0.0004946800000000 ] - [ -0.0003838700000000, -0.0001101000000000, -0.0002340500000000 ] - [ 0.0019067700000000, 0.0017645500000000, -0.0001511500000000 ] - [ 0.0000636000000000, 0.0004822500000000, -0.0002915500000000 ] - [ -0.0027602600000000, -0.0013620800000000, -0.0004690300000000 ] - [ 0.0003294300000000, 0.0001477700000000, -0.0000819400000000 ] - [ 0.0029127800000000, 0.0015717200000000, 0.0002985000000000 ] - [ 0.0000045600000000, -0.0000028300000000, -0.0003448600000000 ] - [ -0.0234852300000000, -0.0235467500000000, -0.0007196400000000 ] - [ -0.0003672500000000, 0.0003009000000000, -0.0003631600000000 ] - [ -0.0005605800000000, -0.0009607800000000, -0.0001848900000000 ] - [ -0.0003316900000000, 0.0002607300000000, -0.0000797600000000 ] - [ -0.0012137300000000, -0.0025504900000000, -0.0000355300000000 ] - [ -0.0004686900000000, -0.0001162500000000, -0.0000535000000000 ] - [ -0.0003514300000000, -0.0003112200000000, 0.0015095300000000 ] - [ -0.0000802500000000, -0.0000180400000000, -0.0001513100000000 ] - [ -0.0015225000000000, 0.0009233200000000, 0.0016815000000000 ] - [ -0.0005783000000000, 0.0005419900000000, 0.0000364900000000 ] - [ 0.0009288400000000, -0.0006683500000000, 0.0004918100000000 ] - [ 0.0002789800000000, -0.0000022900000000, -0.0001094200000000 ] - [ 0.0017012600000000, -0.0033887700000000, 0.0003204700000000 ] - [ -0.0000898500000000, -0.0007583000000000, -0.0001134900000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003239200000000, 0.0000863800000000, -0.0011247700000000 ] - [ 0.0009466300000000, 0.0007722800000000, 0.0008115700000000 ] - [ -0.0001833100000000, 0.0002152000000000, -0.0005032200000000 ] - [ 0.0001859500000000, -0.0001115900000000, 0.0003751200000000 ] - [ 0.0001255600000000, -0.0001025400000000, -0.0005114300000000 ] - [ 0.0002123700000000, 0.0001729400000000, 0.0003760100000000 ] - [ 0.0000997900000000, -0.0002247000000000, -0.0012054200000000 ] - [ -0.0005953600000000, 0.0002112200000000, 0.0012841300000000 ] - [ 0.0000896300000000, 0.0000139300000000, -0.0005276900000000 ] - [ -0.0005098600000000, -0.0004441500000000, 0.0003100200000000 ] - [ 0.0001670900000000, -0.0001000200000000, -0.0005279600000000 ] - [ 0.0000171700000000, 0.0001489900000000, 0.0004010100000000 ] - [ -0.0002051700000000, 0.0005407600000000, 0.0010291200000000 ] - [ 0.0000593900000000, 0.0000470400000000, -0.0007476800000000 ] - [ 0.0001196400000000, 0.0004838100000000, 0.0012733100000000 ] - [ -0.0003351700000000, -0.0003924400000000, -0.0008155500000000 ] - [ 0.0007617400000000, -0.0003838000000000, 0.0057202600000000 ] - [ 0.0001037300000000, 0.0001511800000000, -0.0018112500000000 ] - [ 0.0001403800000000, -0.0005817700000000, 0.0010747200000000 ] - [ 0.0002318000000000, 0.0002006100000000, -0.0007630000000000 ] - [ 0.0004605400000000, -0.0006265300000000, 0.0010708800000000 ] - [ 0.0001780800000000, 0.0001628900000000, -0.0007725600000000 ] - [ -0.0026787900000000, 0.0024149000000000, 0.0073286900000000 ] - [ -0.0002366700000000, -0.0000848700000000, -0.0018906300000000 ] - [ 0.0019129400000000, 0.0031296100000000, -0.0009728200000000 ] - [ -0.0009092600000000, -0.0009246500000000, -0.0009758200000000 ] - [ 0.0005019500000000, 0.0077585000000000, 0.0558263800000000 ] - [ -0.0000321400000000, -0.0002921300000000, -0.0002332500000000 ] - [ 0.0003345700000000, 0.0001417400000000, 0.0006925300000000 ] - [ 0.0004082200000000, 0.0000828800000000, 0.0003099800000000 ] - [ -0.0004746700000000, -0.0001998400000000, 0.0008007500000000 ] - [ -0.0003145800000000, -0.0001754800000000, 0.0001571900000000 ] - [ 0.0000659300000000, 0.0008016600000000, -0.0002103500000000 ] - [ -0.0000183500000000, -0.0010789900000000, -0.0005478200000000 ] - [ 0.0001309300000000, -0.0015798900000000, -0.0028625200000000 ] - [ -0.0002269200000000, 0.0001540200000000, -0.0000886500000000 ] - [ 0.0000098600000000, -0.0002177600000000, 0.0009223400000000 ] - [ -0.0001399800000000, -0.0003626000000000, 0.0002171800000000 ] - [ -0.0002433800000000, 0.0012022200000000, -0.0000501500000000 ] - [ 0.0001141500000000, -0.0003377200000000, -0.0002354000000000 ] - [ -0.0000116700000000, -0.0017183800000000, -0.0028182900000000 ] - [ 0.0002605800000000, 0.0000811500000000, -0.0000753700000000 ] - [ -0.0009678000000000, 0.0002590300000000, 0.0008186200000000 ] - [ -0.0002591500000000, 0.0003153600000000, 0.0002392100000000 ] - [ -0.0002699100000000, -0.0004761300000000, -0.0004253500000000 ] - [ -0.0000568600000000, 0.0009108800000000, -0.0005394300000000 ] - [ -0.0000110100000000, 0.0002120700000000, 0.0006082700000000 ] - [ 0.0000118900000000, 0.0003672700000000, 0.0001558600000000 ] - [ 0.0000992700000000, -0.0016296900000000, -0.0003786000000000 ] - [ -0.0005213200000000, 0.0005430100000000, -0.0005565000000000 ] - [ -0.0005635700000000, 0.0001190100000000, -0.0001747700000000 ] - [ 0.0008635700000000, -0.0001696000000000, -0.0003213500000000 ] - [ 0.0002978300000000, -0.0001909500000000, 0.0006463500000000 ] - [ 0.0003039100000000, -0.0001978100000000, 0.0001582300000000 ] - [ 0.0004429500000000, -0.0032441000000000, -0.0003956200000000 ] - [ 0.0005392800000000, 0.0013890700000000, -0.0006174700000000 ] - [ -0.0020604100000000, 0.0029337700000000, -0.0000548500000000 ] - [ 0.0009476100000000, -0.0009248300000000, -0.0007463600000000 ] - [ 0.0009832100000000, 0.0007925700000000, 0.0000293500000000 ] - [ -0.0009372500000000, -0.0005624700000000, -0.0002198700000000 ] - [ -0.0003867500000000, -0.0018240100000000, -0.0000138800000000 ] - [ -0.0000505500000000, 0.0007168200000000, 0.0005083100000000 ] - [ 0.0001506100000000, -0.0005270300000000, 0.0001545600000000 ] - [ 0.0003518600000000, 0.0005796000000000, 0.0004270300000000 ] - [ 0.0003163400000000, -0.0003109800000000, -0.0001747900000000 ] - [ 0.0001703500000000, -0.0003498000000000, 0.0001669400000000 ] - [ 0.0011042500000000, -0.0183834900000000, -0.0412068800000000 ] - [ 0.0000434700000000, 0.0003886200000000, 0.0006253000000000 ] - [ 0.0000105500000000, 0.0001576100000000, -0.0011169300000000 ] - [ -0.0001113000000000, 0.0000602100000000, -0.0000803200000000 ] - [ 0.0010291700000000, -0.0008661700000000, 0.0004660700000000 ] - [ -0.0007680700000000, 0.0007220000000000, 0.0009531900000000 ] - [ 0.0002676800000000, -0.0000441800000000, -0.0008296600000000 ] - [ 0.0002863200000000, -0.0001677500000000, 0.0001843500000000 ] - [ -0.0013735400000000, -0.0016345300000000, 0.0014052300000000 ] - [ 0.0003903900000000, 0.0002603300000000, 0.0013519600000000 ] - [ 0.0002516000000000, 0.0015520600000000, -0.0001054300000000 ] - [ -0.0007014500000000, -0.0007998600000000, 0.0000917500000000 ] - [ -0.0021010900000000, 0.0006925100000000, 0.0018027600000000 ] - [ 0.0011877000000000, -0.0000602700000000, 0.0012824000000000 ] - [ -0.0002608500000000, 0.0023484800000000, 0.0021963800000000 ] - [ -0.0003746500000000, -0.0013467500000000, 0.0013806300000000 ] - [ -0.0001560100000000, 0.0004313700000000, 0.0001704800000000 ] - [ 0.0001405700000000, 0.0002698500000000, 0.0003240300000000 ] - [ 0.0001004400000000, -0.0009206500000000, 0.0001148000000000 ] - [ 0.0000142000000000, 0.0000359800000000, 0.0003730700000000 ] - [ 0.0005607400000000, 0.0000323700000000, -0.0016295000000000 ] - [ 0.0002054000000000, 0.0003151900000000, 0.0003503600000000 ] - [ 0.0000402400000000, -0.0009123100000000, 0.0003010800000000 ] - [ 0.0004181900000000, 0.0000786900000000, 0.0005126900000000 ] - [ 0.0000592200000000, -0.0001445800000000, -0.0004757000000000 ] - [ 0.0000024500000000, -0.0001153000000000, -0.0001800100000000 ] - [ 0.0001270100000000, 0.0000757700000000, -0.0007451400000000 ] - [ 0.0001048500000000, 0.0000729500000000, -0.0001046800000000 ] - [ 0.0007981000000000, 0.0002486700000000, -0.0000340400000000 ] - [ 0.0003969900000000, -0.0003094000000000, 0.0002020800000000 ] - [ 0.0002628700000000, 0.0002219700000000, -0.0000317800000000 ] - [ 0.0001918700000000, -0.0006529600000000, 0.0000726500000000 ] - [ 0.0000085100000000, 0.0003886300000000, 0.0002904900000000 ] - [ 0.0000915500000000, -0.0003504200000000, -0.0001390600000000 ] - [ 0.0002747700000000, -0.0005445300000000, 0.0006069100000000 ] - [ -0.0007314900000000, 0.0001389400000000, 0.0007019900000000 ] - [ -0.0016149100000000, 0.0042745600000000, -0.0154259600000000 ] - [ 0.0002551400000000, 0.0002830300000000, -0.0000003000000000 ] - [ 0.0006333600000000, 0.0012875700000000, 0.0010598600000000 ] - [ -0.0008607400000000, -0.0003533800000000, 0.0010916100000000 ] - [ -0.0004189700000000, 0.0007042700000000, -0.0000095800000000 ] - [ 0.0002869900000000, -0.0002057700000000, 0.0002493300000000 ] - [ -0.0003379500000000, 0.0020122800000000, 0.0003126200000000 ] - [ 0.0003558600000000, -0.0005381800000000, 0.0003959200000000 ] - [ 0.0004320600000000, 0.0007682500000000, -0.0000092700000000 ] - [ -0.0003256000000000, -0.0001410000000000, 0.0002490400000000 ] - [ 0.0002181200000000, 0.0000422300000000, -0.0019553600000000 ] - [ -0.0000394800000000, 0.0003356800000000, 0.0003118500000000 ] - [ 0.0002716900000000, 0.0002704000000000, -0.0022946400000000 ] - [ 0.0005494200000000, 0.0000861400000000, 0.0005859800000000 ] - [ -0.0004080700000000, -0.0005873700000000, -0.0024388200000000 ] - [ -0.0002516200000000, -0.0001671300000000, 0.0003920700000000 ] - [ 0.0016055000000000, 0.0042410700000000, -0.0145349400000000 ] - [ -0.0003567500000000, 0.0001137400000000, -0.0000202100000000 ] - [ -0.0003274700000000, 0.0003445400000000, -0.0006223600000000 ] - [ -0.0003747200000000, 0.0004264400000000, 0.0003914000000000 ] - [ -0.0003862600000000, 0.0000005900000000, -0.0001454600000000 ] - [ -0.0003821900000000, 0.0000035000000000, 0.0001685100000000 ] - [ 0.0000374700000000, -0.0015897700000000, 0.0000414100000000 ] - [ 0.0001921700000000, 0.0006002600000000, 0.0004791400000000 ] - [ 0.0005574900000000, -0.0028432300000000, 0.0033559100000000 ] - [ -0.0001084000000000, 0.0009119900000000, 0.0014363300000000 ] - [ -0.0005312800000000, 0.0009610600000000, -0.0000334900000000 ] - [ 0.0000676600000000, 0.0002542700000000, 0.0002191500000000 ] - [ 0.0000479500000000, 0.0000588800000000, -0.0018544000000000 ] - [ -0.0001706700000000, -0.0005590400000000, 0.0005196800000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001914500000000, 0.0001463500000000, 0.0011263100000000 ] - [ -0.0011319000000000, -0.0005532900000000, -0.0007548000000000 ] - [ 0.0000325500000000, 0.0000450700000000, 0.0005006900000000 ] - [ -0.0003421500000000, 0.0003697300000000, -0.0003670700000000 ] - [ 0.0001768100000000, 0.0001036300000000, 0.0005088400000000 ] - [ 0.0000912000000000, -0.0001654000000000, -0.0003691100000000 ] - [ -0.0002509600000000, -0.0000341300000000, 0.0012073700000000 ] - [ 0.0005003700000000, -0.0005095800000000, -0.0012197400000000 ] - [ -0.0002256900000000, -0.0002503900000000, 0.0005251500000000 ] - [ 0.0003804800000000, 0.0002040600000000, -0.0002997500000000 ] - [ 0.0001013000000000, 0.0001011600000000, 0.0005256200000000 ] - [ 0.0002488300000000, -0.0001402100000000, -0.0003940200000000 ] - [ -0.0000326900000000, -0.0001620100000000, -0.0010427900000000 ] - [ -0.0002803300000000, 0.0003352700000000, 0.0007484600000000 ] - [ -0.0002987800000000, -0.0008385600000000, -0.0012930900000000 ] - [ 0.0001339300000000, 0.0000437100000000, 0.0008163900000000 ] - [ -0.0011376200000000, 0.0006807700000000, -0.0058187300000000 ] - [ -0.0003003800000000, 0.0001937100000000, 0.0018046400000000 ] - [ 0.0003079100000000, 0.0005983600000000, -0.0010860300000000 ] - [ 0.0002117800000000, -0.0001987500000000, 0.0007631900000000 ] - [ -0.0000688500000000, 0.0006485500000000, -0.0010831100000000 ] - [ 0.0002202300000000, -0.0001602000000000, 0.0007730500000000 ] - [ 0.0026592800000000, -0.0029518100000000, -0.0074404800000000 ] - [ 0.0000136100000000, -0.0002980200000000, 0.0018830500000000 ] - [ -0.0025477100000000, -0.0028262000000000, 0.0001937400000000 ] - [ 0.0002848600000000, 0.0012439700000000, 0.0001970000000000 ] - [ -0.0006331800000000, -0.0106261400000000, -0.0556885000000000 ] - [ -0.0000394700000000, -0.0002545400000000, 0.0005814600000000 ] - [ 0.0004933800000000, 0.0000483800000000, 0.0002571700000000 ] - [ 0.0004172200000000, 0.0001031000000000, 0.0006396500000000 ] - [ -0.0001568300000000, -0.0001517400000000, -0.0000234000000000 ] - [ -0.0003183300000000, -0.0001694700000000, 0.0006196500000000 ] - [ -0.0000457000000000, -0.0015243300000000, -0.0005746800000000 ] - [ 0.0000384300000000, 0.0003568200000000, -0.0002261800000000 ] - [ -0.0005818700000000, 0.0020475700000000, 0.0032028800000000 ] - [ -0.0002043000000000, 0.0001838000000000, 0.0004368900000000 ] - [ -0.0002420000000000, -0.0005824500000000, 0.0000281100000000 ] - [ -0.0000932200000000, -0.0004378400000000, 0.0007325100000000 ] - [ 0.0001618900000000, -0.0006644100000000, -0.0002998800000000 ] - [ -0.0001964400000000, 0.0008760900000000, -0.0001135300000000 ] - [ 0.0005474500000000, 0.0020472700000000, 0.0031563800000000 ] - [ 0.0002527600000000, 0.0001165000000000, 0.0004236900000000 ] - [ 0.0004154200000000, 0.0003557500000000, 0.0001314700000000 ] - [ -0.0003041000000000, 0.0002932800000000, 0.0007106400000000 ] - [ 0.0000222900000000, 0.0012926800000000, -0.0005270600000000 ] - [ -0.0001919100000000, -0.0000974500000000, -0.0004115900000000 ] - [ 0.0000285600000000, 0.0005185300000000, 0.0001687400000000 ] - [ 0.0000046300000000, 0.0003542000000000, 0.0006205000000000 ] - [ -0.0006815100000000, 0.0010354700000000, -0.0005739400000000 ] - [ -0.0000602400000000, -0.0011389400000000, -0.0003952400000000 ] - [ 0.0010734300000000, -0.0003196500000000, -0.0001738300000000 ] - [ -0.0003510100000000, -0.0000332700000000, -0.0000289500000000 ] - [ 0.0003000900000000, -0.0001814400000000, 0.0001306400000000 ] - [ 0.0002926100000000, -0.0001722800000000, 0.0006182200000000 ] - [ 0.0003635300000000, 0.0030824800000000, -0.0005567000000000 ] - [ 0.0002701400000000, -0.0015610000000000, -0.0003333700000000 ] - [ 0.0026925900000000, -0.0025816400000000, -0.0007360900000000 ] - [ -0.0003276800000000, 0.0012875600000000, -0.0000295400000000 ] - [ -0.0014250400000000, -0.0011312400000000, -0.0003798300000000 ] - [ 0.0004965800000000, 0.0002252200000000, -0.0001294000000000 ] - [ 0.0001644100000000, 0.0017192100000000, 0.0007791600000000 ] - [ -0.0001746300000000, -0.0008273700000000, 0.0002437600000000 ] - [ 0.0004168200000000, 0.0008429900000000, 0.0004258400000000 ] - [ 0.0002144000000000, -0.0002641400000000, 0.0001429300000000 ] - [ 0.0000260700000000, -0.0003832700000000, 0.0001050400000000 ] - [ 0.0001754100000000, -0.0003438600000000, -0.0002363900000000 ] - [ -0.0010013000000000, 0.0221933800000000, 0.0412228900000000 ] - [ 0.0000378700000000, 0.0003152700000000, -0.0010860000000000 ] - [ -0.0002412600000000, -0.0000437500000000, 0.0003609900000000 ] - [ -0.0001143500000000, 0.0000550200000000, -0.0006751200000000 ] - [ -0.0016068800000000, 0.0012069100000000, 0.0001161800000000 ] - [ 0.0001930500000000, -0.0003837900000000, -0.0003794400000000 ] - [ 0.0003062300000000, -0.0002946500000000, 0.0002566200000000 ] - [ 0.0002878300000000, -0.0001638600000000, -0.0007559600000000 ] - [ 0.0013567300000000, 0.0009957100000000, -0.0008351700000000 ] - [ -0.0004149500000000, -0.0009068200000000, -0.0007761500000000 ] - [ -0.0010274700000000, -0.0016085500000000, 0.0001765500000000 ] - [ -0.0000718600000000, 0.0007471500000000, -0.0000235300000000 ] - [ 0.0026815500000000, -0.0002766600000000, -0.0013507200000000 ] - [ -0.0006125800000000, 0.0004774900000000, -0.0008148000000000 ] - [ -0.0004890900000000, -0.0031619700000000, -0.0020613700000000 ] - [ -0.0003744000000000, 0.0005499100000000, -0.0012245800000000 ] - [ 0.0003462900000000, 0.0002888700000000, 0.0005790800000000 ] - [ 0.0000510800000000, 0.0004527900000000, 0.0004219400000000 ] - [ -0.0000196400000000, 0.0002376400000000, 0.0003516100000000 ] - [ 0.0000667500000000, -0.0007204000000000, 0.0000855400000000 ] - [ -0.0001570000000000, 0.0006272900000000, 0.0015595300000000 ] - [ 0.0002070800000000, 0.0003395900000000, -0.0004192100000000 ] - [ 0.0004915700000000, 0.0003874400000000, 0.0004506500000000 ] - [ 0.0001154300000000, -0.0006039400000000, 0.0002374700000000 ] - [ -0.0000508100000000, -0.0001058100000000, -0.0002805400000000 ] - [ 0.0000084100000000, -0.0001381900000000, -0.0005755100000000 ] - [ 0.0000801700000000, 0.0000620300000000, -0.0000116100000000 ] - [ 0.0001038100000000, 0.0000658200000000, -0.0006504400000000 ] - [ 0.0002595300000000, -0.0005037400000000, 0.0001891200000000 ] - [ 0.0006632800000000, 0.0000566800000000, -0.0000549100000000 ] - [ 0.0001708900000000, -0.0008790700000000, 0.0001017500000000 ] - [ 0.0002401800000000, -0.0000038700000000, -0.0000054400000000 ] - [ 0.0001682300000000, -0.0011722300000000, -0.0010346300000000 ] - [ 0.0000802100000000, -0.0003730800000000, -0.0006093300000000 ] - [ -0.0009942700000000, 0.0003344700000000, 0.0001402400000000 ] - [ 0.0000139600000000, -0.0003489700000000, 0.0000487900000000 ] - [ 0.0022812100000000, -0.0040838000000000, 0.0146387500000000 ] - [ 0.0002751400000000, 0.0002456500000000, -0.0007482300000000 ] - [ -0.0012714000000000, -0.0010020800000000, -0.0005988000000000 ] - [ 0.0002191900000000, 0.0006418900000000, -0.0006251700000000 ] - [ 0.0010349900000000, -0.0011649100000000, -0.0004463500000000 ] - [ 0.0002833100000000, -0.0001996400000000, -0.0007123200000000 ] - [ 0.0007055200000000, -0.0013341700000000, -0.0002448500000000 ] - [ 0.0000059700000000, 0.0012169500000000, -0.0003257600000000 ] - [ -0.0011178100000000, -0.0010983700000000, -0.0004464300000000 ] - [ -0.0003110300000000, -0.0001346700000000, -0.0007127300000000 ] - [ -0.0002248100000000, 0.0006170700000000, 0.0013828900000000 ] - [ 0.0000281100000000, 0.0003127600000000, -0.0008840000000000 ] - [ 0.0007928800000000, -0.0000152900000000, 0.0021421000000000 ] - [ 0.0005083900000000, 0.0001672000000000, -0.0007365700000000 ] - [ -0.0001486700000000, 0.0002497400000000, 0.0018667100000000 ] - [ -0.0002985800000000, -0.0001827200000000, -0.0009627900000000 ] - [ -0.0024575500000000, -0.0043642000000000, 0.0137452500000000 ] - [ -0.0003670700000000, 0.0000830300000000, -0.0007303800000000 ] - [ -0.0004234800000000, 0.0004468400000000, 0.0004709600000000 ] - [ -0.0003725900000000, 0.0003702000000000, -0.0005413900000000 ] - [ -0.0003994100000000, 0.0000456000000000, 0.0000763200000000 ] - [ -0.0004011400000000, 0.0000424700000000, -0.0002378200000000 ] - [ 0.0001745300000000, 0.0014629400000000, 0.0007227300000000 ] - [ 0.0000195700000000, -0.0007312700000000, 0.0002729400000000 ] - [ -0.0005505100000000, 0.0031271600000000, -0.0026365900000000 ] - [ 0.0001224500000000, -0.0006545600000000, -0.0006747200000000 ] - [ 0.0002288800000000, 0.0000783600000000, 0.0001872500000000 ] - [ -0.0003725600000000, 0.0007864900000000, -0.0000718800000000 ] - [ -0.0003575700000000, -0.0011137200000000, 0.0017049300000000 ] - [ -0.0001384100000000, -0.0004853100000000, -0.0006705400000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016119500000000, 0.0002262900000000, -0.0000517000000000 ] - [ 0.0001347900000000, 0.0001575000000000, 0.0006005100000000 ] - [ -0.0002723900000000, 0.0008813600000000, 0.0001452400000000 ] - [ -0.0001360200000000, 0.0004062900000000, 0.0000597800000000 ] - [ -0.0004650900000000, -0.0007632600000000, -0.0007036500000000 ] - [ 0.0000501400000000, -0.0001596100000000, 0.0002040600000000 ] - [ 0.0002834400000000, -0.0012876900000000, 0.0015780900000000 ] - [ 0.0001346400000000, -0.0002254200000000, -0.0006199800000000 ] - [ -0.0002484100000000, -0.0005386600000000, 0.0000262400000000 ] - [ -0.0001070900000000, -0.0003007300000000, -0.0000861900000000 ] - [ -0.0007114000000000, 0.0002425100000000, 0.0004305900000000 ] - [ -0.0000895500000000, 0.0001138100000000, -0.0001770600000000 ] - [ -0.0004671400000000, 0.0022123000000000, -0.0004741500000000 ] - [ -0.0001991700000000, 0.0005438300000000, -0.0000204300000000 ] - [ -0.0005977500000000, -0.0013556200000000, 0.0001061500000000 ] - [ -0.0001540100000000, -0.0004175000000000, 0.0000732900000000 ] - [ 0.0060007700000000, -0.0009068100000000, -0.0021523200000000 ] - [ 0.0001442900000000, 0.0001949000000000, -0.0007253700000000 ] - [ -0.0013468500000000, -0.0021230200000000, 0.0012660300000000 ] - [ 0.0001395600000000, -0.0002012200000000, -0.0002061300000000 ] - [ -0.0019231400000000, 0.0004667800000000, -0.0006557800000000 ] - [ -0.0001060500000000, 0.0001492700000000, 0.0001645900000000 ] - [ 0.0040732200000000, -0.0035910700000000, -0.0007643400000000 ] - [ 0.0001948300000000, -0.0002814000000000, 0.0006449000000000 ] - [ 0.0025747100000000, -0.0017818600000000, -0.0003764600000000 ] - [ 0.0000210300000000, 0.0000018600000000, -0.0003865900000000 ] - [ 0.0007475400000000, -0.0005521200000000, 0.0002007800000000 ] - [ 0.0004843200000000, -0.0003724300000000, 0.0001343800000000 ] - [ 0.0018129500000000, 0.0000437000000000, 0.0004081700000000 ] - [ 0.0010250500000000, 0.0000622700000000, 0.0005152400000000 ] - [ -0.0026630600000000, -0.0007741400000000, 0.0004712800000000 ] - [ -0.0013699600000000, -0.0002410100000000, 0.0003195100000000 ] - [ 0.0003109000000000, -0.0007956300000000, -0.0004051500000000 ] - [ 0.0000681400000000, -0.0004071000000000, -0.0003935000000000 ] - [ -0.0005824000000000, 0.0009691000000000, 0.0001431000000000 ] - [ -0.0003812000000000, 0.0006248400000000, 0.0001775100000000 ] - [ 0.0039699500000000, -0.0018516900000000, 0.0010410900000000 ] - [ 0.0014409600000000, -0.0008777000000000, 0.0004105500000000 ] - [ -0.0023288200000000, 0.0009707100000000, -0.0001429600000000 ] - [ -0.0003824200000000, 0.0002975200000000, -0.0001778500000000 ] - [ 0.0000199300000000, -0.0002448000000000, 0.0001659500000000 ] - [ 0.0001277600000000, -0.0001174400000000, 0.0001689000000000 ] - [ 0.0012351400000000, 0.0012105600000000, -0.0005003900000000 ] - [ 0.0004131700000000, 0.0006604700000000, 0.0008200700000000 ] - [ 0.0050659200000000, -0.0051924800000000, -0.0001104800000000 ] - [ -0.0000271700000000, 0.0003166400000000, -0.0004749600000000 ] - [ -0.0016369600000000, -0.0000015000000000, 0.0004743200000000 ] - [ -0.0008632900000000, 0.0001823900000000, 0.0003485400000000 ] - [ -0.0001557200000000, 0.0131317000000000, -0.0012026100000000 ] - [ -0.0002244200000000, -0.0001602900000000, -0.0004688100000000 ] - [ -0.0042842600000000, 0.0014904300000000, -0.0003476800000000 ] - [ -0.0000985900000000, -0.0001197300000000, -0.0001845900000000 ] - [ -0.0025686300000000, 0.0003380600000000, 0.0004506400000000 ] - [ -0.0009453300000000, -0.0000823800000000, 0.0003504000000000 ] - [ 0.0631322800000000, -0.0510661600000000, -0.0029026100000000 ] - [ 0.0007128400000000, -0.0001802000000000, -0.0004863900000000 ] - [ 0.0021405300000000, 0.0013238400000000, -0.0004024700000000 ] - [ 0.0005472600000000, 0.0002997900000000, -0.0003919500000000 ] - [ -0.0038944600000000, -0.0009725300000000, -0.0000523200000000 ] - [ -0.0005897400000000, -0.0002087900000000, -0.0001656800000000 ] - [ -0.0007415900000000, 0.0009022700000000, 0.0003638900000000 ] - [ -0.0001984000000000, 0.0000439800000000, 0.0003774400000000 ] - [ 0.0008323800000000, 0.0004822500000000, 0.0003022300000000 ] - [ 0.0004180400000000, 0.0001818100000000, 0.0002806900000000 ] - [ -0.0007957300000000, -0.0011587200000000, 0.0002506400000000 ] - [ -0.0002392900000000, -0.0006700600000000, -0.0001734600000000 ] - [ -0.0025172900000000, 0.0009190400000000, -0.0001124000000000 ] - [ -0.0009213500000000, 0.0005355200000000, -0.0002324700000000 ] - [ 0.0011266900000000, 0.0006093800000000, -0.0008217500000000 ] - [ 0.0004896600000000, 0.0002649100000000, -0.0000974800000000 ] - [ -0.0008438300000000, -0.0018409400000000, 0.0006489300000000 ] - [ -0.0003826300000000, -0.0000106900000000, 0.0002694400000000 ] - [ 0.0011291100000000, -0.0000430000000000, -0.0004032400000000 ] - [ 0.0007121300000000, -0.0001231600000000, -0.0001905400000000 ] - [ -0.0005402400000000, 0.0025393300000000, -0.0000409100000000 ] - [ -0.0001646300000000, -0.0000955200000000, 0.0003213600000000 ] - [ -0.0076263400000000, 0.0284383700000000, 0.0010414400000000 ] - [ -0.0005113300000000, 0.0000121400000000, 0.0000319000000000 ] - [ 0.0036918100000000, 0.0005425100000000, -0.0001785000000000 ] - [ 0.0005200800000000, 0.0002351400000000, 0.0002554200000000 ] - [ -0.0958791500000000, 0.0734898500000000, 0.0051304600000000 ] - [ -0.0007074000000000, -0.0002788500000000, 0.0000745400000000 ] - [ 0.0041212400000000, 0.0004070700000000, 0.0004032100000000 ] - [ 0.0004316100000000, 0.0003820300000000, 0.0003781400000000 ] - [ 0.0005687300000000, -0.0008541800000000, 0.0001828400000000 ] - [ 0.0001676900000000, -0.0003665900000000, 0.0002327700000000 ] - [ -0.0022787400000000, -0.0000622300000000, 0.0009819000000000 ] - [ -0.0007969700000000, 0.0002206600000000, -0.0003892000000000 ] - [ 0.0018660600000000, 0.0004308400000000, 0.0003137000000000 ] - [ 0.0004797000000000, -0.0001875300000000, 0.0003649400000000 ] - [ 0.0024616700000000, 0.0001983300000000, -0.0004064000000000 ] - [ 0.0010076100000000, -0.0000076400000000, -0.0003606000000000 ] - [ 0.0014652600000000, -0.0004197600000000, -0.0002354700000000 ] - [ 0.0007691600000000, -0.0001238700000000, -0.0004851200000000 ] - [ 0.0005443000000000, 0.0027207500000000, -0.0001597700000000 ] - [ 0.0004829000000000, -0.0000076400000000, 0.0000758700000000 ] - [ -0.0056287200000000, -0.0029683100000000, 0.0000884900000000 ] - [ 0.0001216000000000, -0.0003734700000000, 0.0000293300000000 ] - [ 0.0001569000000000, -0.0004972300000000, -0.0003414400000000 ] - [ 0.0001141000000000, -0.0004336800000000, -0.0003905600000000 ] - [ 0.0017958700000000, -0.0015491500000000, 0.0004745100000000 ] - [ -0.0001361800000000, -0.0001635800000000, 0.0003794600000000 ] - [ -0.0002297400000000, -0.0002021900000000, -0.0006941000000000 ] - [ 0.0000176600000000, 0.0000276400000000, -0.0001315500000000 ] - [ 0.0053775100000000, 0.0000466600000000, 0.0002246000000000 ] - [ -0.0001213100000000, 0.0001615700000000, 0.0002075300000000 ] - [ 0.0005554200000000, -0.0007673000000000, -0.0000420300000000 ] - [ 0.0003970800000000, -0.0004958700000000, -0.0003236100000000 ] - [ 0.0195564900000000, -0.0485319100000000, -0.0018986300000000 ] - [ 0.0000058600000000, 0.0003196800000000, 0.0000497800000000 ] - [ -0.0002067700000000, 0.0003673200000000, -0.0004261900000000 ] - [ -0.0002775100000000, 0.0001159400000000, -0.0001108000000000 ] - [ 0.0027515400000000, -0.0007432200000000, -0.0017314200000000 ] - [ 0.0008341700000000, 0.0000102200000000, 0.0003259200000000 ] - [ -0.0008759800000000, 0.0020757700000000, -0.0023683600000000 ] - [ -0.0001410000000000, 0.0008202900000000, 0.0006376400000000 ] - [ 0.0029474800000000, 0.0012975200000000, 0.0015472700000000 ] - [ 0.0007817800000000, 0.0001475200000000, -0.0010990600000000 ] - [ -0.0006398500000000, 0.0002652100000000, -0.0002343300000000 ] - [ -0.0005335500000000, 0.0001959900000000, -0.0004920400000000 ] - [ -0.0005768300000000, 0.0003516200000000, -0.0000130300000000 ] - [ -0.0004409700000000, 0.0003803900000000, -0.0001179100000000 ] - [ -0.0015184300000000, 0.0008346000000000, -0.0002593600000000 ] - [ -0.0008750200000000, 0.0003246000000000, 0.0000359400000000 ] - [ -0.0002730300000000, -0.0007166200000000, 0.0003907500000000 ] - [ 0.0000397400000000, -0.0001518300000000, 0.0003871100000000 ] - [ -0.0023562000000000, -0.0002028800000000, 0.0004553600000000 ] - [ -0.0002271300000000, 0.0001196200000000, 0.0003721300000000 ] - [ 0.0035879900000000, -0.0044485700000000, 0.0007605400000000 ] - [ -0.0001917500000000, 0.0003985700000000, 0.0000736900000000 ] - [ -0.0003773000000000, -0.0017491500000000, 0.0012570200000000 ] - [ -0.0003523600000000, -0.0009382600000000, -0.0007064500000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0017869700000000, 0.0000479800000000, -0.0000040600000000 ] - [ -0.0002699900000000, 0.0000776500000000, -0.0006060800000000 ] - [ 0.0001254500000000, -0.0006275200000000, -0.0001477500000000 ] - [ -0.0000137200000000, -0.0001479900000000, -0.0000604100000000 ] - [ 0.0007552700000000, 0.0007682300000000, 0.0006968600000000 ] - [ 0.0002499000000000, 0.0001604400000000, -0.0002032100000000 ] - [ -0.0003889500000000, 0.0010442600000000, -0.0016217600000000 ] - [ -0.0002834500000000, -0.0000314100000000, 0.0006143100000000 ] - [ 0.0001110000000000, 0.0002966600000000, -0.0000294500000000 ] - [ -0.0000293100000000, 0.0000626500000000, 0.0000858900000000 ] - [ 0.0009837300000000, -0.0002411800000000, -0.0004320200000000 ] - [ 0.0003596300000000, -0.0001136500000000, 0.0001765800000000 ] - [ 0.0002553200000000, -0.0018505900000000, 0.0004822700000000 ] - [ -0.0000212800000000, -0.0001628400000000, 0.0000188400000000 ] - [ 0.0003920300000000, 0.0009863900000000, -0.0000963900000000 ] - [ -0.0000465300000000, 0.0000692800000000, -0.0000756500000000 ] - [ -0.0063829700000000, 0.0014542400000000, 0.0023647900000000 ] - [ -0.0003436000000000, 0.0001534900000000, 0.0007278300000000 ] - [ 0.0017587600000000, 0.0021394500000000, -0.0012496400000000 ] - [ 0.0003019400000000, 0.0002010700000000, 0.0002025800000000 ] - [ 0.0023302800000000, -0.0004599500000000, 0.0006612400000000 ] - [ 0.0005058200000000, -0.0001489100000000, -0.0001663100000000 ] - [ -0.0039948100000000, 0.0032800000000000, 0.0010062200000000 ] - [ -0.0004162500000000, -0.0000998700000000, -0.0006451300000000 ] - [ -0.0032044000000000, 0.0021065600000000, -0.0003994500000000 ] - [ -0.0006419100000000, 0.0003303200000000, -0.0003898800000000 ] - [ -0.0008264900000000, -0.0000029900000000, 0.0001462400000000 ] - [ -0.0005583700000000, -0.0001725200000000, 0.0002153800000000 ] - [ -0.0009837800000000, 0.0001357600000000, 0.0005474700000000 ] - [ -0.0001985700000000, 0.0001191300000000, 0.0004316100000000 ] - [ 0.0020362100000000, 0.0004317800000000, 0.0003045300000000 ] - [ 0.0007389800000000, -0.0001034200000000, 0.0004585700000000 ] - [ -0.0002956300000000, 0.0000656900000000, -0.0003712900000000 ] - [ -0.0000490400000000, -0.0003150000000000, -0.0003832200000000 ] - [ 0.0001562300000000, -0.0006431900000000, 0.0002060600000000 ] - [ -0.0000484800000000, -0.0002896600000000, 0.0001712900000000 ] - [ -0.0042171400000000, 0.0010581000000000, -0.0000761300000000 ] - [ -0.0016783300000000, 0.0000789300000000, 0.0005341900000000 ] - [ 0.0022530300000000, -0.0004410400000000, -0.0002055800000000 ] - [ 0.0002990000000000, 0.0002456500000000, -0.0001716500000000 ] - [ 0.0004856500000000, 0.0004363100000000, 0.0001833400000000 ] - [ 0.0003819200000000, 0.0003138100000000, 0.0001796700000000 ] - [ -0.0017803100000000, -0.0006021500000000, 0.0014552100000000 ] - [ -0.0009706200000000, -0.0000529800000000, 0.0001273600000000 ] - [ -0.0052734800000000, 0.0058125300000000, -0.0008333400000000 ] - [ -0.0002231700000000, 0.0004915400000000, -0.0004764600000000 ] - [ 0.0016552000000000, 0.0007350000000000, 0.0003016200000000 ] - [ 0.0008804300000000, 0.0005436200000000, 0.0004288100000000 ] - [ -0.0003682800000000, -0.0138614000000000, 0.0002504200000000 ] - [ -0.0003543900000000, -0.0004434500000000, -0.0004830200000000 ] - [ 0.0048063400000000, -0.0017038900000000, 0.0000007000000000 ] - [ 0.0006059100000000, -0.0000821900000000, -0.0001648300000000 ] - [ 0.0031581600000000, -0.0007023200000000, 0.0003256400000000 ] - [ 0.0015443600000000, -0.0002876500000000, 0.0004266500000000 ] - [ -0.0632515300000000, 0.0522856300000000, 0.0020212400000000 ] - [ 0.0000949500000000, -0.0000018600000000, -0.0004643100000000 ] - [ -0.0015273100000000, -0.0009641200000000, -0.0003735600000000 ] - [ 0.0000688900000000, 0.0000742100000000, -0.0003853300000000 ] - [ 0.0034628200000000, 0.0006347900000000, -0.0002959800000000 ] - [ 0.0001558300000000, -0.0001243900000000, -0.0001839900000000 ] - [ 0.0005235300000000, -0.0010091700000000, 0.0003915000000000 ] - [ -0.0000257500000000, -0.0001605500000000, 0.0003787500000000 ] - [ -0.0002593600000000, -0.0001571300000000, 0.0002722900000000 ] - [ 0.0001491700000000, 0.0001374100000000, 0.0002945200000000 ] - [ 0.0011376400000000, 0.0004680200000000, -0.0003237300000000 ] - [ 0.0005849900000000, -0.0000221100000000, 0.0001064800000000 ] - [ 0.0026019400000000, -0.0002154600000000, -0.0003408200000000 ] - [ 0.0010046800000000, 0.0001632400000000, -0.0002320700000000 ] - [ -0.0013563600000000, -0.0005015300000000, 0.0000693300000000 ] - [ -0.0007147400000000, -0.0001521600000000, -0.0006595500000000 ] - [ 0.0002660200000000, 0.0021869700000000, -0.0000795600000000 ] - [ -0.0001939000000000, 0.0003429100000000, 0.0003063900000000 ] - [ -0.0005511200000000, -0.0002990800000000, -0.0001723700000000 ] - [ -0.0001358100000000, -0.0002146700000000, -0.0003799300000000 ] - [ 0.0005200900000000, -0.0031871300000000, 0.0006078400000000 ] - [ 0.0001403100000000, -0.0005599900000000, 0.0002526200000000 ] - [ 0.0069902100000000, -0.0282566100000000, -0.0009677100000000 ] - [ -0.0002608700000000, -0.0000584900000000, 0.0000378900000000 ] - [ -0.0031269200000000, -0.0001319700000000, 0.0006342700000000 ] - [ 0.0000441500000000, 0.0001827400000000, 0.0002076400000000 ] - [ 0.0957287700000000, -0.0755664400000000, -0.0053814000000000 ] - [ -0.0000411500000000, -0.0005094300000000, 0.0000770800000000 ] - [ -0.0039470000000000, 0.0003136000000000, 0.0003440700000000 ] - [ -0.0002410600000000, 0.0003399100000000, 0.0003702600000000 ] - [ -0.0004898400000000, 0.0001819600000000, 0.0002786500000000 ] - [ -0.0000864800000000, -0.0003178800000000, 0.0002306100000000 ] - [ 0.0026847800000000, 0.0007205300000000, -0.0010623000000000 ] - [ 0.0012088000000000, 0.0004364300000000, 0.0003247100000000 ] - [ -0.0013380700000000, -0.0009547000000000, 0.0004364200000000 ] - [ 0.0000511200000000, -0.0003409500000000, 0.0003863500000000 ] - [ -0.0024521300000000, -0.0004482600000000, -0.0003507900000000 ] - [ -0.0009978800000000, -0.0002445300000000, -0.0003945100000000 ] - [ -0.0012570000000000, 0.0005506800000000, -0.0005199100000000 ] - [ -0.0005611900000000, 0.0002605200000000, -0.0002707000000000 ] - [ 0.0005508700000000, -0.0028990700000000, 0.0003013300000000 ] - [ 0.0005768900000000, -0.0002439700000000, 0.0000756600000000 ] - [ 0.0060220300000000, 0.0023425100000000, -0.0000216600000000 ] - [ 0.0003104900000000, -0.0002818300000000, 0.0000396800000000 ] - [ 0.0000198200000000, -0.0002220400000000, -0.0004068400000000 ] - [ 0.0000594000000000, -0.0002886600000000, -0.0003575500000000 ] - [ -0.0025205200000000, 0.0013469600000000, 0.0002730600000000 ] - [ -0.0005774200000000, -0.0000486200000000, 0.0003702000000000 ] - [ 0.0007626700000000, 0.0007400000000000, -0.0000512800000000 ] - [ 0.0005133000000000, 0.0005010900000000, -0.0006185000000000 ] - [ -0.0060673700000000, 0.0002299000000000, 0.0002371100000000 ] - [ -0.0005136400000000, 0.0001287300000000, 0.0002568900000000 ] - [ 0.0000077700000000, 0.0003686900000000, -0.0004237600000000 ] - [ 0.0001699600000000, 0.0000930000000000, -0.0001394600000000 ] - [ -0.0191132800000000, 0.0487476900000000, 0.0019319500000000 ] - [ 0.0003555200000000, 0.0003657500000000, 0.0000197800000000 ] - [ -0.0004224100000000, -0.0006358800000000, -0.0000414500000000 ] - [ -0.0003541000000000, -0.0003882600000000, -0.0003515100000000 ] - [ -0.0027757300000000, 0.0014054600000000, 0.0011686300000000 ] - [ -0.0008451300000000, 0.0006423600000000, -0.0009016100000000 ] - [ 0.0019423200000000, -0.0018370400000000, 0.0022184900000000 ] - [ 0.0011992600000000, -0.0005684200000000, -0.0007870200000000 ] - [ -0.0034816600000000, -0.0016299700000000, -0.0021065700000000 ] - [ -0.0013353000000000, -0.0004948800000000, 0.0005259800000000 ] - [ -0.0000777700000000, -0.0000613200000000, -0.0005164300000000 ] - [ -0.0001880700000000, 0.0000007600000000, -0.0002587500000000 ] - [ -0.0001729000000000, 0.0004443600000000, -0.0001421000000000 ] - [ -0.0003073500000000, 0.0004166500000000, -0.0000302800000000 ] - [ 0.0007326400000000, -0.0007877600000000, 0.0001809100000000 ] - [ 0.0000904800000000, -0.0002784600000000, -0.0001007200000000 ] - [ 0.0004879100000000, 0.0005903300000000, 0.0003644200000000 ] - [ 0.0001712000000000, 0.0000168900000000, 0.0003689700000000 ] - [ 0.0023833300000000, 0.0004695500000000, 0.0002968800000000 ] - [ 0.0002430100000000, 0.0001286600000000, 0.0003837300000000 ] - [ -0.0039226700000000, 0.0055117600000000, -0.0006132800000000 ] - [ -0.0001131900000000, 0.0006441800000000, 0.0000772000000000 ] - [ 0.0000637400000000, 0.0006969600000000, -0.0014083000000000 ] - [ 0.0000423700000000, -0.0001057500000000, 0.0005563700000000 ]- atom: 81 displacement: [ -0.0050000000040513, 0.0086602540355054, 0.0000000000000000 ] forces: - [ -0.0006635200000000, 0.0014175000000000, 0.0001689600000000 ] - [ -0.0000894900000000, 0.0003666500000000, -0.0009010000000000 ] - [ 0.0007208400000000, -0.0015136400000000, -0.0006680200000000 ] - [ 0.0001411100000000, -0.0003646200000000, 0.0000188700000000 ] - [ -0.0010125300000000, 0.0007141300000000, -0.0008978300000000 ] - [ 0.0000798900000000, 0.0001709700000000, 0.0001279200000000 ] - [ -0.0009570100000000, 0.0023587200000000, -0.0004867200000000 ] - [ -0.0003086600000000, 0.0002304800000000, 0.0000277000000000 ] - [ -0.0004869500000000, -0.0009196900000000, -0.0004531900000000 ] - [ -0.0001794500000000, -0.0002822700000000, 0.0001127400000000 ] - [ 0.0012859400000000, 0.0000093200000000, -0.0007995500000000 ] - [ 0.0003246100000000, -0.0000582700000000, 0.0002177700000000 ] - [ 0.0017642600000000, -0.0042340900000000, 0.0016379100000000 ] - [ 0.0001767200000000, -0.0004431400000000, -0.0001618000000000 ] - [ -0.0012428500000000, -0.0024409200000000, 0.0008508800000000 ] - [ -0.0002412700000000, -0.0004051500000000, -0.0002024900000000 ] - [ -0.0031679400000000, 0.0045122700000000, 0.0022582600000000 ] - [ -0.0001556300000000, 0.0004370000000000, 0.0010682400000000 ] - [ -0.0031582700000000, 0.0018461400000000, 0.0019832100000000 ] - [ 0.0001635400000000, 0.0002717400000000, -0.0002292000000000 ] - [ 0.0031968000000000, 0.0001091500000000, 0.0014101600000000 ] - [ 0.0004207500000000, -0.0000601900000000, -0.0002936800000000 ] - [ -0.0042386300000000, 0.0070006900000000, 0.0005282900000000 ] - [ -0.0004068400000000, 0.0002364000000000, -0.0000764900000000 ] - [ -0.0053105400000000, -0.0022528200000000, -0.0004594700000000 ] - [ -0.0006760100000000, 0.0000712400000000, -0.0003987700000000 ] - [ -0.0009813900000000, -0.0029827100000000, -0.0002391500000000 ] - [ -0.0006304800000000, -0.0011804700000000, 0.0004206300000000 ] - [ -0.0001819500000000, -0.0008687900000000, 0.0013823200000000 ] - [ 0.0000961000000000, -0.0003143300000000, -0.0000105200000000 ] - [ 0.0023531900000000, 0.0010443400000000, 0.0003197000000000 ] - [ 0.0008824300000000, 0.0000643800000000, 0.0004945300000000 ] - [ -0.0006648800000000, -0.0024787300000000, -0.0003987400000000 ] - [ -0.0000922700000000, -0.0006026000000000, -0.0004064600000000 ] - [ 0.0005565500000000, -0.0021886500000000, 0.0001212800000000 ] - [ 0.0000981300000000, -0.0010090500000000, 0.0002280600000000 ] - [ -0.0032348800000000, 0.0024054000000000, 0.0014562700000000 ] - [ -0.0014188400000000, 0.0009990800000000, -0.0000406000000000 ] - [ 0.0017909200000000, -0.0016683900000000, -0.0001965300000000 ] - [ 0.0002409400000000, 0.0000696700000000, -0.0001775000000000 ] - [ -0.0005913700000000, -0.0013205500000000, 0.0001098400000000 ] - [ -0.0001295400000000, -0.0005407100000000, 0.0002145900000000 ] - [ -0.0001640400000000, 0.0006636700000000, 0.0022827500000000 ] - [ -0.0002837000000000, 0.0007246500000000, -0.0002284100000000 ] - [ -0.0017584300000000, -0.0152559500000000, 0.0003178500000000 ] - [ -0.0002066800000000, 0.0005208500000000, -0.0004811900000000 ] - [ 0.0011517000000000, 0.0021178100000000, 0.0003918100000000 ] - [ 0.0006224400000000, 0.0013878600000000, 0.0004057500000000 ] - [ 0.0059080400000000, -0.0222409600000000, 0.0008157400000000 ] - [ -0.0002477300000000, -0.0002494700000000, -0.0004864900000000 ] - [ 0.0033162300000000, -0.0003459300000000, -0.0000623700000000 ] - [ 0.0005328900000000, 0.0000301800000000, -0.0001753300000000 ] - [ 0.0013339100000000, 0.0000844200000000, 0.0003539400000000 ] - [ 0.0007268400000000, -0.0000311400000000, 0.0004082500000000 ] - [ -0.0742163100000000, 0.3325114800000000, 0.0156597300000000 ] - [ 0.0002351500000000, 0.0004588200000000, -0.0004527200000000 ] - [ 0.0018461300000000, -0.0041790600000000, -0.0004641700000000 ] - [ 0.0002083900000000, -0.0001210800000000, -0.0003966000000000 ] - [ 0.0017868600000000, 0.0004555800000000, -0.0002579400000000 ] - [ -0.0000231300000000, -0.0000923300000000, -0.0001865400000000 ] - [ 0.0010698700000000, 0.0021702200000000, 0.0003627000000000 ] - [ -0.0000313700000000, 0.0000764700000000, 0.0003967600000000 ] - [ 0.0006668000000000, 0.0014545600000000, 0.0004062100000000 ] - [ 0.0002688700000000, 0.0003215300000000, 0.0002930200000000 ] - [ 0.0004380100000000, -0.0001031400000000, -0.0009693600000000 ] - [ 0.0002935900000000, -0.0003343100000000, 0.0005084200000000 ] - [ 0.0022165300000000, 0.0017700800000000, 0.0020991000000000 ] - [ 0.0008706500000000, 0.0006808500000000, -0.0010487500000000 ] - [ -0.0014936400000000, -0.0012243600000000, 0.0001059500000000 ] - [ -0.0008362800000000, -0.0004975600000000, -0.0007437300000000 ] - [ -0.0017118400000000, 0.0034607200000000, -0.0000086200000000 ] - [ -0.0003182200000000, 0.0004498900000000, 0.0003221800000000 ] - [ 0.0001697100000000, -0.0013184600000000, -0.0008095800000000 ] - [ 0.0002049600000000, -0.0007755400000000, 0.0000514700000000 ] - [ 0.0027159000000000, -0.0001304900000000, 0.0006374600000000 ] - [ 0.0001829100000000, -0.0003639800000000, 0.0002961200000000 ] - [ 0.0187977900000000, 0.0378175800000000, 0.0009967400000000 ] - [ -0.0003908800000000, -0.0002462000000000, 0.0000257400000000 ] - [ -0.0015754500000000, -0.0012083800000000, 0.0000293500000000 ] - [ 0.0002191500000000, 0.0000810400000000, 0.0002460500000000 ] - [ 0.1109053200000000, -0.4312539200000000, -0.0255556000000000 ] - [ -0.0001041800000000, -0.0008341700000000, 0.0001062100000000 ] - [ -0.0024124300000000, 0.0000611800000000, 0.0003636700000000 ] - [ -0.0001327200000000, 0.0002828200000000, 0.0003794600000000 ] - [ -0.0004541800000000, 0.0013942500000000, 0.0002089100000000 ] - [ -0.0000652500000000, -0.0001745300000000, 0.0002540300000000 ] - [ 0.0015508200000000, -0.0003681500000000, -0.0012208800000000 ] - [ 0.0007767900000000, -0.0000632500000000, 0.0004101700000000 ] - [ -0.0005935900000000, -0.0004750200000000, 0.0004115200000000 ] - [ 0.0001420500000000, -0.0002896000000000, 0.0003867800000000 ] - [ -0.0018491600000000, -0.0003519100000000, -0.0005382900000000 ] - [ -0.0007546500000000, -0.0001658600000000, -0.0002781400000000 ] - [ -0.0005160500000000, -0.0003433500000000, -0.0004713300000000 ] - [ -0.0001818600000000, -0.0001628400000000, -0.0003277300000000 ] - [ 0.0060040500000000, 0.0073703500000000, -0.0009078200000000 ] - [ 0.0005731100000000, -0.0001430400000000, 0.0000874000000000 ] - [ 0.0005647400000000, 0.0076472300000000, -0.0004928700000000 ] - [ 0.0002178100000000, -0.0003464900000000, 0.0000460600000000 ] - [ 0.0002589900000000, 0.0004101400000000, -0.0004079700000000 ] - [ 0.0001961000000000, 0.0000235100000000, -0.0003379100000000 ] - [ -0.0024146900000000, 0.0007967300000000, 0.0002197000000000 ] - [ -0.0005766600000000, -0.0000776200000000, 0.0003812100000000 ] - [ 0.0001792900000000, 0.0023730400000000, 0.0001677900000000 ] - [ 0.0003446600000000, 0.0011530700000000, -0.0007514700000000 ] - [ -0.0036426000000000, -0.0021654500000000, -0.0000268300000000 ] - [ -0.0005150700000000, -0.0000956800000000, 0.0002759500000000 ] - [ -0.0006636000000000, 0.0009472000000000, -0.0006882200000000 ] - [ -0.0000793300000000, 0.0003339700000000, -0.0000066300000000 ] - [ -0.0430397400000000, 0.0603183400000000, 0.0025118800000000 ] - [ 0.0003272000000000, 0.0001368200000000, 0.0000259200000000 ] - [ 0.0005349800000000, 0.0006157700000000, -0.0006101400000000 ] - [ 0.0000293700000000, 0.0001577000000000, -0.0000114200000000 ] - [ -0.0038218600000000, 0.0023819400000000, 0.0016939600000000 ] - [ -0.0011703700000000, 0.0009719100000000, -0.0010948200000000 ] - [ 0.0018936300000000, -0.0034290200000000, 0.0010468400000000 ] - [ 0.0012128200000000, -0.0013496300000000, -0.0005135200000000 ] - [ -0.0011117800000000, -0.0000714400000000, -0.0007575400000000 ] - [ -0.0004997000000000, -0.0000702200000000, -0.0001226500000000 ] - [ 0.0007611600000000, 0.0017518800000000, -0.0003305900000000 ] - [ 0.0001233500000000, 0.0007560200000000, -0.0003917600000000 ] - [ -0.0002324500000000, 0.0012988100000000, -0.0006953400000000 ] - [ -0.0003232800000000, 0.0007556000000000, 0.0003181300000000 ] - [ 0.0002182000000000, -0.0009963100000000, -0.0011447200000000 ] - [ -0.0001299500000000, -0.0005769200000000, 0.0005547500000000 ] - [ 0.0004617200000000, 0.0031320000000000, 0.0003766900000000 ] - [ 0.0002186300000000, 0.0001837400000000, 0.0003886900000000 ] - [ 0.0015045200000000, 0.0062051900000000, 0.0004293400000000 ] - [ 0.0001895000000000, 0.0002709700000000, 0.0003918100000000 ] - [ -0.0093585600000000, 0.0086268200000000, -0.0013193800000000 ] - [ -0.0001602700000000, 0.0006146100000000, 0.0000884500000000 ] - [ -0.0007172300000000, -0.0010869000000000, -0.0013019300000000 ] - [ -0.0002647200000000, -0.0008056800000000, 0.0004785000000000 ]- atom: 81 displacement: [ 0.0050000000040513, -0.0086602540355054, 0.0000000000000000 ] forces: - [ 0.0004498700000000, -0.0011330200000000, -0.0002685400000000 ] - [ -0.0000484000000000, -0.0001301200000000, 0.0008954300000000 ] - [ -0.0008715400000000, 0.0017802400000000, 0.0006754300000000 ] - [ -0.0002913900000000, 0.0006245600000000, -0.0000221600000000 ] - [ 0.0013140300000000, -0.0007171700000000, 0.0009000100000000 ] - [ 0.0002205900000000, -0.0001708200000000, -0.0001283900000000 ] - [ 0.0008275500000000, -0.0026163200000000, 0.0004676400000000 ] - [ 0.0001584200000000, -0.0004887000000000, -0.0000218100000000 ] - [ 0.0003553800000000, 0.0006907800000000, 0.0004549400000000 ] - [ 0.0000447400000000, 0.0000489500000000, -0.0001126400000000 ] - [ -0.0010235700000000, -0.0000143300000000, 0.0008063800000000 ] - [ -0.0000541400000000, 0.0000565200000000, -0.0002187200000000 ] - [ -0.0019831500000000, 0.0046258400000000, -0.0016501200000000 ] - [ -0.0003982900000000, 0.0008270500000000, 0.0001643400000000 ] - [ 0.0010519900000000, 0.0021096400000000, -0.0008539700000000 ] - [ 0.0000438800000000, 0.0000637000000000, 0.0002018400000000 ] - [ 0.0026131400000000, -0.0039312800000000, -0.0019206600000000 ] - [ -0.0000464200000000, -0.0000896200000000, -0.0010654000000000 ] - [ 0.0036002000000000, -0.0018551200000000, -0.0019882100000000 ] - [ 0.0002791200000000, -0.0002724100000000, 0.0002293500000000 ] - [ -0.0028125500000000, -0.0001211800000000, -0.0014219000000000 ] - [ -0.0000217700000000, 0.0000583700000000, 0.0002947900000000 ] - [ 0.0040788700000000, -0.0073484800000000, -0.0004800800000000 ] - [ 0.0001839900000000, -0.0006213600000000, 0.0000680400000000 ] - [ 0.0046535900000000, 0.0026057200000000, -0.0003163500000000 ] - [ 0.0000547700000000, 0.0002633800000000, -0.0003776300000000 ] - [ 0.0008982200000000, 0.0024497000000000, 0.0005858600000000 ] - [ 0.0005548700000000, 0.0006458900000000, -0.0000710500000000 ] - [ 0.0010123000000000, 0.0010478500000000, -0.0004375700000000 ] - [ 0.0007314700000000, 0.0004968000000000, 0.0009627200000000 ] - [ -0.0029618000000000, -0.0013812300000000, 0.0004561000000000 ] - [ -0.0015068400000000, -0.0004064000000000, 0.0002832700000000 ] - [ 0.0006744600000000, 0.0017591600000000, -0.0003781400000000 ] - [ 0.0001108000000000, -0.0001154300000000, -0.0003698500000000 ] - [ -0.0009913300000000, 0.0025271400000000, 0.0002268500000000 ] - [ -0.0005329400000000, 0.0013523000000000, 0.0001211100000000 ] - [ 0.0029847900000000, -0.0032362000000000, -0.0004966300000000 ] - [ 0.0011778700000000, -0.0018093400000000, 0.0009877600000000 ] - [ -0.0018628500000000, 0.0022219300000000, -0.0001518800000000 ] - [ -0.0003223600000000, 0.0004780600000000, -0.0001716500000000 ] - [ 0.0011022800000000, 0.0015270000000000, 0.0002386500000000 ] - [ 0.0006425100000000, 0.0007454900000000, 0.0001342800000000 ] - [ -0.0003864400000000, -0.0000838600000000, -0.0013484200000000 ] - [ -0.0002760800000000, -0.0001296200000000, 0.0011821800000000 ] - [ 0.0015392200000000, 0.0160573300000000, -0.0012706700000000 ] - [ -0.0000433100000000, 0.0002855400000000, -0.0004696900000000 ] - [ -0.0011223800000000, -0.0013969100000000, 0.0003851200000000 ] - [ -0.0006005200000000, -0.0006699000000000, 0.0003712900000000 ] - [ -0.0064499000000000, 0.0217513300000000, -0.0017797800000000 ] - [ -0.0003293700000000, -0.0003583600000000, -0.0004648100000000 ] - [ -0.0028040600000000, 0.0001533000000000, -0.0002853900000000 ] - [ -0.0000226600000000, -0.0002326800000000, -0.0001736200000000 ] - [ -0.0007068500000000, -0.0004602600000000, 0.0004215600000000 ] - [ -0.0001156900000000, -0.0003415800000000, 0.0003691000000000 ] - [ 0.0770282600000000, -0.3556924800000000, -0.0180975600000000 ] - [ 0.0005715400000000, -0.0006421700000000, -0.0004972700000000 ] - [ -0.0012405900000000, 0.0045492700000000, -0.0003127300000000 ] - [ 0.0004030300000000, 0.0004964000000000, -0.0003804000000000 ] - [ -0.0022083500000000, -0.0007858200000000, -0.0000905800000000 ] - [ -0.0004098100000000, -0.0002416600000000, -0.0001628400000000 ] - [ -0.0012835400000000, -0.0022971000000000, 0.0003931900000000 ] - [ -0.0001942400000000, -0.0001957100000000, 0.0003593000000000 ] - [ -0.0000963200000000, -0.0011376500000000, 0.0001679900000000 ] - [ 0.0002974500000000, -0.0000073600000000, 0.0002810300000000 ] - [ -0.0000952100000000, -0.0005716200000000, 0.0009080500000000 ] - [ 0.0000513400000000, -0.0003505200000000, -0.0005820500000000 ] - [ -0.0021127400000000, -0.0010831100000000, -0.0025605100000000 ] - [ -0.0007827100000000, 0.0000152800000000, 0.0005919300000000 ] - [ 0.0012559800000000, 0.0013323600000000, -0.0008589600000000 ] - [ 0.0006067000000000, 0.0006128400000000, -0.0000128600000000 ] - [ 0.0011445500000000, -0.0031216200000000, 0.0005774500000000 ] - [ -0.0002513600000000, -0.0001161200000000, 0.0002528200000000 ] - [ 0.0004027200000000, 0.0009919600000000, 0.0002400700000000 ] - [ 0.0003681800000000, 0.0004477600000000, -0.0006253400000000 ] - [ -0.0027335600000000, -0.0005533500000000, -0.0000634000000000 ] - [ -0.0002104900000000, -0.0002910200000000, 0.0002761300000000 ] - [ -0.0198227400000000, -0.0380076200000000, -0.0009537700000000 ] - [ -0.0003774300000000, 0.0002021600000000, 0.0000439400000000 ] - [ 0.0021294000000000, 0.0016428500000000, 0.0004373400000000 ] - [ 0.0003463400000000, 0.0003413400000000, 0.0002157100000000 ] - [ -0.1140032000000000, 0.4544671500000000, 0.0270722300000000 ] - [ -0.0006414000000000, 0.0000417900000000, 0.0000438400000000 ] - [ 0.0025945200000000, 0.0006611700000000, 0.0003843700000000 ] - [ 0.0003214100000000, 0.0004425600000000, 0.0003685100000000 ] - [ 0.0005302700000000, -0.0020908100000000, 0.0002523600000000 ] - [ 0.0001453600000000, -0.0005162800000000, 0.0002085700000000 ] - [ -0.0011442100000000, 0.0010470300000000, 0.0011336600000000 ] - [ -0.0003638700000000, 0.0007255700000000, -0.0004741100000000 ] - [ 0.0011161000000000, -0.0000602800000000, 0.0003392100000000 ] - [ 0.0003893000000000, -0.0002410100000000, 0.0003640600000000 ] - [ 0.0018354400000000, 0.0000954900000000, -0.0002167600000000 ] - [ 0.0007575700000000, -0.0000902400000000, -0.0004780400000000 ] - [ 0.0007116000000000, 0.0004887400000000, -0.0002853200000000 ] - [ 0.0003853000000000, 0.0003071000000000, -0.0004272000000000 ] - [ -0.0049644200000000, -0.0076414800000000, 0.0010624100000000 ] - [ 0.0004900300000000, -0.0001061400000000, 0.0000626400000000 ] - [ -0.0001756800000000, -0.0083378800000000, 0.0005637300000000 ] - [ 0.0002137700000000, -0.0003039700000000, 0.0000229600000000 ] - [ -0.0000795900000000, -0.0011362300000000, -0.0003391000000000 ] - [ -0.0000218600000000, -0.0007511000000000, -0.0004109500000000 ] - [ 0.0016922000000000, -0.0010142700000000, 0.0005267100000000 ] - [ -0.0001397700000000, -0.0001361000000000, 0.0003680800000000 ] - [ 0.0003632500000000, -0.0018489800000000, -0.0009131400000000 ] - [ 0.0001914600000000, -0.0006303800000000, 0.0000017500000000 ] - [ 0.0030075900000000, 0.0024463600000000, 0.0004842200000000 ] - [ -0.0001243300000000, 0.0003895600000000, 0.0001875000000000 ] - [ 0.0012391700000000, -0.0013517000000000, 0.0002290900000000 ] - [ 0.0006538300000000, -0.0007410800000000, -0.0004594700000000 ] - [ 0.0443109300000000, -0.0608525300000000, -0.0025320700000000 ] - [ 0.0000315800000000, 0.0005511600000000, 0.0000432400000000 ] - [ -0.0011729900000000, -0.0008932900000000, 0.0001474100000000 ] - [ -0.0006673800000000, -0.0004357600000000, -0.0004534000000000 ] - [ 0.0037828400000000, -0.0017228900000000, -0.0022488300000000 ] - [ 0.0011540200000000, -0.0003255200000000, 0.0005178900000000 ] - [ -0.0008161200000000, 0.0036811400000000, -0.0012113300000000 ] - [ -0.0001487600000000, 0.0016033900000000, 0.0003659300000000 ] - [ 0.0005286700000000, -0.0002966800000000, 0.0001664700000000 ] - [ -0.0000634500000000, -0.0002854200000000, -0.0004385200000000 ] - [ -0.0014836600000000, -0.0015600900000000, -0.0004206700000000 ] - [ -0.0008486900000000, -0.0005651200000000, -0.0003582600000000 ] - [ -0.0005199300000000, -0.0005008300000000, 0.0005487600000000 ] - [ -0.0004260500000000, 0.0000431900000000, -0.0004703700000000 ] - [ -0.0010009700000000, 0.0010600700000000, 0.0010797300000000 ] - [ -0.0006520800000000, 0.0006300600000000, -0.0006256400000000 ] - [ -0.0002411500000000, -0.0032650700000000, 0.0003789400000000 ] - [ -0.0000055900000000, -0.0003208100000000, 0.0003671500000000 ] - [ -0.0014598400000000, -0.0059037500000000, 0.0003223900000000 ] - [ -0.0001711600000000, -0.0000211900000000, 0.0003641900000000 ] - [ 0.0091286500000000, -0.0076582400000000, 0.0014832100000000 ] - [ -0.0001499800000000, 0.0004318800000000, 0.0000612500000000 ] - [ 0.0004008300000000, 0.0000625200000000, 0.0011545000000000 ] - [ -0.0000482500000000, -0.0002299600000000, -0.0006287300000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001283100000000, 0.0002685900000000, 0.0018604800000000 ] - [ 0.0001206400000000, -0.0000311900000000, -0.0012308300000000 ] - [ -0.0001646300000000, 0.0003160300000000, 0.0003978000000000 ] - [ -0.0000498500000000, 0.0000134500000000, -0.0005422100000000 ] - [ -0.0004600600000000, -0.0004950800000000, 0.0002287200000000 ] - [ 0.0003488800000000, 0.0001671100000000, -0.0005846400000000 ] - [ 0.0014577700000000, 0.0007061800000000, 0.0002406600000000 ] - [ -0.0003306200000000, -0.0001632700000000, -0.0010983000000000 ] - [ 0.0000105000000000, 0.0000016000000000, 0.0003485000000000 ] - [ -0.0000927100000000, -0.0002151500000000, -0.0004815200000000 ] - [ 0.0003654900000000, -0.0001415000000000, 0.0003473200000000 ] - [ 0.0000431900000000, 0.0000618900000000, -0.0004599400000000 ] - [ 0.0001260600000000, -0.0005607400000000, 0.0011549800000000 ] - [ -0.0001153200000000, 0.0003540100000000, -0.0008073300000000 ] - [ -0.0002393700000000, -0.0007826100000000, 0.0010368200000000 ] - [ -0.0000786600000000, 0.0000017700000000, -0.0007426200000000 ] - [ -0.0025891500000000, 0.0020684100000000, 0.0074734400000000 ] - [ -0.0002634600000000, 0.0002918200000000, -0.0019435400000000 ] - [ 0.0005882900000000, 0.0009816100000000, 0.0015055000000000 ] - [ -0.0000393200000000, -0.0002279100000000, -0.0008912800000000 ] - [ 0.0001012100000000, 0.0003169300000000, 0.0009537700000000 ] - [ 0.0003531100000000, -0.0001099100000000, -0.0007093700000000 ] - [ -0.0005938000000000, -0.0010155500000000, 0.0048435300000000 ] - [ 0.0001292900000000, -0.0001953700000000, -0.0017006100000000 ] - [ -0.0001030100000000, 0.0002008400000000, -0.0000010800000000 ] - [ -0.0003089400000000, 0.0001871800000000, -0.0006365000000000 ] - [ -0.0003509500000000, -0.0035076500000000, 0.0003411200000000 ] - [ 0.0002164300000000, 0.0011582700000000, -0.0000012400000000 ] - [ 0.0002051400000000, 0.0012622900000000, 0.0006556100000000 ] - [ 0.0005047600000000, -0.0006453900000000, 0.0003110700000000 ] - [ 0.0008730600000000, 0.0006615200000000, 0.0004829400000000 ] - [ -0.0010393200000000, -0.0004284600000000, 0.0002570400000000 ] - [ -0.0000475700000000, -0.0003491400000000, -0.0001701900000000 ] - [ 0.0000142400000000, -0.0003534100000000, -0.0005570200000000 ] - [ -0.0000291700000000, -0.0010471000000000, 0.0002682200000000 ] - [ -0.0003167100000000, 0.0009222000000000, 0.0001001100000000 ] - [ 0.0002849900000000, 0.0033799000000000, -0.0006061300000000 ] - [ -0.0003688700000000, -0.0016306900000000, -0.0002333000000000 ] - [ 0.0000034200000000, 0.0001157600000000, 0.0000453800000000 ] - [ -0.0000422300000000, 0.0002715500000000, -0.0004062100000000 ] - [ 0.0000129700000000, -0.0007919400000000, 0.0002356700000000 ] - [ 0.0003612400000000, 0.0005924000000000, 0.0001011600000000 ] - [ -0.0023366200000000, 0.0025223900000000, 0.0008316400000000 ] - [ 0.0005008800000000, -0.0006888000000000, 0.0001852200000000 ] - [ -0.0000352400000000, -0.0018002800000000, -0.0033500900000000 ] - [ -0.0001162000000000, 0.0004103800000000, -0.0007125000000000 ] - [ 0.0002308400000000, 0.0012623000000000, 0.0004984800000000 ] - [ -0.0001680700000000, -0.0002310700000000, 0.0003221400000000 ] - [ 0.0005072000000000, -0.0021745600000000, -0.0033565300000000 ] - [ -0.0003217500000000, -0.0003035300000000, -0.0007319700000000 ] - [ 0.0001869200000000, 0.0000330700000000, 0.0001370700000000 ] - [ 0.0002588000000000, -0.0001046200000000, -0.0004116800000000 ] - [ -0.0006907500000000, 0.0004147800000000, 0.0004930400000000 ] - [ 0.0009233600000000, -0.0004414300000000, 0.0003323300000000 ] - [ -0.0014971300000000, 0.0158960500000000, 0.0557076600000000 ] - [ 0.0004139200000000, -0.0001226600000000, -0.0008676100000000 ] - [ -0.0002418300000000, 0.0001565400000000, -0.0000562400000000 ] - [ 0.0003126400000000, 0.0001947500000000, -0.0006311000000000 ] - [ -0.0004325000000000, -0.0003050100000000, 0.0001147200000000 ] - [ -0.0002131700000000, -0.0001729300000000, -0.0003895900000000 ] - [ -0.0001077300000000, -0.0000105700000000, 0.0002607800000000 ] - [ -0.0001140800000000, -0.0000768400000000, 0.0005676000000000 ] - [ 0.0003094900000000, 0.0001380400000000, -0.0002978600000000 ] - [ 0.0002822000000000, 0.0001741800000000, 0.0007780100000000 ] - [ 0.0002396000000000, -0.0016348400000000, -0.0002954700000000 ] - [ 0.0001685000000000, 0.0002702700000000, 0.0000718000000000 ] - [ 0.0005056200000000, 0.0031633900000000, 0.0019047700000000 ] - [ -0.0001561100000000, -0.0005453600000000, 0.0010678400000000 ] - [ -0.0006702500000000, -0.0005783900000000, -0.0002788700000000 ] - [ 0.0002693800000000, 0.0003822700000000, -0.0000586600000000 ] - [ -0.0000592900000000, 0.0007404900000000, -0.0015363400000000 ] - [ -0.0003031500000000, 0.0001327900000000, 0.0009232200000000 ] - [ 0.0002417600000000, -0.0007497400000000, -0.0004223700000000 ] - [ 0.0003463200000000, 0.0001922500000000, -0.0001180800000000 ] - [ -0.0001862100000000, -0.0000038400000000, -0.0016109400000000 ] - [ -0.0000023700000000, -0.0003552300000000, 0.0009239100000000 ] - [ 0.0010105400000000, 0.0055719500000000, -0.0137442800000000 ] - [ -0.0003839000000000, -0.0000134100000000, 0.0003870900000000 ] - [ 0.0006772600000000, -0.0000557100000000, -0.0015507400000000 ] - [ 0.0002466200000000, 0.0002106200000000, 0.0008247600000000 ] - [ 0.0051622400000000, -0.0292735900000000, -0.0408809100000000 ] - [ -0.0003746800000000, -0.0003593300000000, 0.0009359700000000 ] - [ 0.0002340600000000, 0.0003297100000000, 0.0003040900000000 ] - [ 0.0000891500000000, 0.0003704800000000, 0.0005648400000000 ] - [ 0.0000091700000000, -0.0001947900000000, -0.0003159100000000 ] - [ 0.0000427000000000, -0.0003398900000000, 0.0006964900000000 ] - [ 0.0014679200000000, -0.0018512800000000, 0.0019406700000000 ] - [ -0.0001604300000000, 0.0010452300000000, 0.0009521900000000 ] - [ 0.0002594400000000, -0.0001883000000000, 0.0000285500000000 ] - [ 0.0002636600000000, -0.0002608400000000, 0.0006330300000000 ] - [ -0.0002277700000000, -0.0001196700000000, -0.0005887300000000 ] - [ 0.0001238600000000, -0.0001902600000000, -0.0004231400000000 ] - [ 0.0002666900000000, -0.0004552100000000, -0.0004097100000000 ] - [ 0.0000016700000000, 0.0003572200000000, -0.0002703600000000 ] - [ 0.0012633500000000, 0.0011113000000000, 0.0002379900000000 ] - [ 0.0005183300000000, -0.0001346800000000, 0.0005539500000000 ] - [ -0.0000837500000000, 0.0005607200000000, 0.0005959100000000 ] - [ 0.0002267200000000, -0.0003236400000000, 0.0002780800000000 ] - [ 0.0001653800000000, 0.0001360300000000, -0.0004425900000000 ] - [ 0.0000495700000000, -0.0006543200000000, -0.0003247100000000 ] - [ -0.0004966200000000, -0.0001112800000000, -0.0003810100000000 ] - [ -0.0003587700000000, -0.0001034200000000, 0.0006885100000000 ] - [ -0.0001544700000000, 0.0019221900000000, -0.0003196000000000 ] - [ 0.0003788700000000, -0.0005736600000000, -0.0001038700000000 ] - [ -0.0002359900000000, -0.0002713700000000, -0.0019871100000000 ] - [ -0.0002894800000000, 0.0001563900000000, 0.0008917800000000 ] - [ 0.0000010000000000, 0.0002303600000000, -0.0003460300000000 ] - [ 0.0004312600000000, -0.0004650500000000, -0.0001020500000000 ] - [ -0.0031743100000000, 0.0050287300000000, -0.0151229300000000 ] - [ 0.0001754600000000, 0.0003578100000000, 0.0004190800000000 ] - [ -0.0000077700000000, 0.0001699100000000, -0.0003451700000000 ] - [ -0.0004660800000000, -0.0002649400000000, -0.0000850000000000 ] - [ -0.0019968100000000, 0.0013013600000000, 0.0011220400000000 ] - [ 0.0007703300000000, -0.0000852400000000, 0.0006873000000000 ] - [ -0.0006418700000000, -0.0018594200000000, 0.0023132600000000 ] - [ 0.0008006500000000, 0.0007880500000000, 0.0011973400000000 ] - [ 0.0011926900000000, 0.0008521000000000, 0.0009176600000000 ] - [ -0.0009595200000000, -0.0005443400000000, 0.0006688000000000 ] - [ 0.0004427100000000, 0.0015535200000000, -0.0005094100000000 ] - [ -0.0007233300000000, -0.0006008300000000, -0.0002806500000000 ] - [ -0.0004384400000000, -0.0002860300000000, -0.0002493700000000 ] - [ -0.0003298500000000, 0.0008264200000000, 0.0000873900000000 ] - [ -0.0003552700000000, -0.0019303200000000, -0.0004057900000000 ] - [ -0.0003988200000000, 0.0008391000000000, 0.0001236500000000 ] - [ 0.0002160900000000, 0.0000129400000000, 0.0002665200000000 ] - [ 0.0001021800000000, -0.0000810200000000, 0.0005566200000000 ] - [ 0.0001783000000000, -0.0000765100000000, -0.0011159400000000 ] - [ 0.0000082700000000, 0.0001165700000000, 0.0007403900000000 ] - [ -0.0011648400000000, 0.0013789800000000, 0.0002376700000000 ] - [ -0.0001394800000000, 0.0005133400000000, 0.0005535600000000 ] - [ 0.0010786800000000, -0.0013527800000000, 0.0000465600000000 ] - [ -0.0007061500000000, -0.0001134400000000, 0.0004729600000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000762900000000, 0.0000183400000000, -0.0019426800000000 ] - [ -0.0002539000000000, 0.0002632900000000, 0.0012274400000000 ] - [ 0.0000182800000000, -0.0000652900000000, -0.0004061900000000 ] - [ -0.0001002500000000, 0.0002456800000000, 0.0005438800000000 ] - [ 0.0007556900000000, 0.0004999500000000, -0.0002413700000000 ] - [ -0.0000466700000000, -0.0001656100000000, 0.0005860200000000 ] - [ -0.0015757100000000, -0.0009534900000000, -0.0002821700000000 ] - [ 0.0001784900000000, -0.0000954300000000, 0.0010964900000000 ] - [ -0.0001483800000000, -0.0002440900000000, -0.0003558000000000 ] - [ -0.0000437800000000, -0.0000216100000000, 0.0004831700000000 ] - [ -0.0000916600000000, 0.0001435700000000, -0.0003551200000000 ] - [ 0.0002267400000000, -0.0000618300000000, 0.0004615900000000 ] - [ -0.0003402200000000, 0.0009214700000000, -0.0011427100000000 ] - [ -0.0001052200000000, 0.0000263800000000, 0.0008063300000000 ] - [ 0.0000350900000000, 0.0004197100000000, -0.0010267700000000 ] - [ -0.0001217600000000, -0.0003499700000000, 0.0007410000000000 ] - [ 0.0021915300000000, -0.0015683800000000, -0.0073540100000000 ] - [ 0.0000662400000000, 0.0000533700000000, 0.0019515800000000 ] - [ -0.0001669400000000, -0.0009749500000000, -0.0014806700000000 ] - [ 0.0004838800000000, 0.0002297800000000, 0.0008890500000000 ] - [ 0.0003100900000000, -0.0003107600000000, -0.0009427500000000 ] - [ 0.0000452300000000, 0.0001108100000000, 0.0007077400000000 ] - [ 0.0005164400000000, 0.0006793500000000, -0.0047529400000000 ] - [ -0.0003538300000000, -0.0001871200000000, 0.0017047200000000 ] - [ -0.0005142000000000, 0.0001277900000000, -0.0007755700000000 ] - [ -0.0003115300000000, 0.0001437600000000, -0.0001398400000000 ] - [ 0.0002761100000000, 0.0029426400000000, 0.0000098800000000 ] - [ -0.0002911700000000, -0.0017133600000000, 0.0003501100000000 ] - [ 0.0006188300000000, -0.0010717400000000, 0.0003010000000000 ] - [ 0.0003194300000000, 0.0008336300000000, 0.0006355900000000 ] - [ -0.0015002200000000, -0.0010041200000000, 0.0002942800000000 ] - [ 0.0004135200000000, 0.0000861300000000, 0.0005205100000000 ] - [ 0.0000653600000000, -0.0003746400000000, -0.0006070500000000 ] - [ 0.0000054500000000, -0.0003670100000000, -0.0002197500000000 ] - [ -0.0003970900000000, 0.0013748500000000, 0.0000812300000000 ] - [ -0.0001133800000000, -0.0005903800000000, 0.0002477200000000 ] - [ -0.0005162000000000, -0.0041458600000000, 0.0015510100000000 ] - [ 0.0001354700000000, 0.0008440200000000, 0.0011876300000000 ] - [ -0.0000827900000000, 0.0004199000000000, -0.0003950600000000 ] - [ -0.0000405800000000, 0.0002725600000000, 0.0000571000000000 ] - [ 0.0004962600000000, 0.0009843600000000, 0.0001138300000000 ] - [ 0.0001498300000000, -0.0003981300000000, 0.0002465700000000 ] - [ 0.0017562400000000, -0.0018982000000000, 0.0001302300000000 ] - [ -0.0010701600000000, 0.0013056800000000, 0.0007623500000000 ] - [ -0.0002121400000000, 0.0024783600000000, 0.0024107900000000 ] - [ -0.0001341000000000, 0.0003998900000000, -0.0002391300000000 ] - [ -0.0002118400000000, -0.0005345900000000, 0.0002786200000000 ] - [ 0.0001865700000000, 0.0009589200000000, 0.0004541200000000 ] - [ -0.0010408900000000, 0.0014459700000000, 0.0024146400000000 ] - [ -0.0002584100000000, -0.0002984300000000, -0.0002200400000000 ] - [ 0.0003184400000000, -0.0002244800000000, -0.0004875500000000 ] - [ 0.0002512900000000, -0.0000985800000000, 0.0000625500000000 ] - [ 0.0012863800000000, -0.0007833300000000, 0.0002833500000000 ] - [ -0.0003283600000000, 0.0000726300000000, 0.0004441900000000 ] - [ 0.0019560100000000, -0.0137757700000000, -0.0563152500000000 ] - [ 0.0003933000000000, -0.0000586800000000, -0.0000829800000000 ] - [ 0.0008428100000000, 0.0002100400000000, -0.0007209400000000 ] - [ 0.0003021800000000, 0.0001778100000000, -0.0001460100000000 ] - [ -0.0000043700000000, -0.0000280400000000, -0.0004645000000000 ] - [ -0.0002219300000000, -0.0001614500000000, 0.0000401800000000 ] - [ -0.0001151600000000, -0.0001031200000000, 0.0004937900000000 ] - [ -0.0001102100000000, -0.0000394700000000, 0.0001876500000000 ] - [ 0.0002609500000000, 0.0001818900000000, 0.0008723700000000 ] - [ 0.0002839700000000, 0.0001420900000000, -0.0002046400000000 ] - [ 0.0001057400000000, 0.0009366900000000, 0.0002180200000000 ] - [ 0.0001771600000000, -0.0009667900000000, -0.0001383200000000 ] - [ -0.0004184800000000, -0.0024392400000000, -0.0023531900000000 ] - [ 0.0002407700000000, 0.0012532800000000, -0.0015376900000000 ] - [ 0.0004412500000000, 0.0006894100000000, -0.0004772900000000 ] - [ -0.0004975100000000, -0.0002706100000000, -0.0006993000000000 ] - [ -0.0005096900000000, -0.0003947600000000, 0.0021098000000000 ] - [ -0.0002707700000000, 0.0002016900000000, -0.0003499400000000 ] - [ 0.0003333400000000, 0.0004134500000000, -0.0001560700000000 ] - [ 0.0002284200000000, -0.0005289900000000, -0.0004512200000000 ] - [ 0.0001576400000000, -0.0006465200000000, 0.0021837000000000 ] - [ -0.0000233500000000, -0.0002981500000000, -0.0003525500000000 ] - [ -0.0017107400000000, -0.0052837500000000, 0.0138581500000000 ] - [ -0.0003861000000000, -0.0000346700000000, -0.0003183100000000 ] - [ -0.0001113300000000, 0.0004658900000000, 0.0020094200000000 ] - [ 0.0003206400000000, 0.0002081900000000, -0.0003642900000000 ] - [ -0.0053475800000000, 0.0253818400000000, 0.0405184300000000 ] - [ -0.0003727400000000, -0.0004319300000000, -0.0007872100000000 ] - [ -0.0000432400000000, 0.0003889400000000, 0.0004439500000000 ] - [ 0.0001004900000000, 0.0003514300000000, 0.0001823100000000 ] - [ 0.0000712900000000, -0.0004829600000000, 0.0007779900000000 ] - [ 0.0000383600000000, -0.0003469600000000, -0.0002353900000000 ] - [ -0.0010405100000000, 0.0024844800000000, -0.0019896500000000 ] - [ 0.0005773200000000, -0.0003973500000000, -0.0010271500000000 ] - [ 0.0002702200000000, -0.0003391200000000, 0.0007223700000000 ] - [ 0.0002671600000000, -0.0002675800000000, 0.0001168100000000 ] - [ 0.0002341500000000, -0.0001314200000000, -0.0001692200000000 ] - [ -0.0001154000000000, -0.0000621600000000, -0.0003314200000000 ] - [ -0.0000598800000000, 0.0005898800000000, -0.0003472600000000 ] - [ 0.0002067500000000, -0.0002212800000000, -0.0004855100000000 ] - [ -0.0001636000000000, -0.0012991300000000, -0.0000975500000000 ] - [ 0.0005434600000000, -0.0001164100000000, -0.0004045500000000 ] - [ 0.0005025200000000, -0.0011555700000000, -0.0005317200000000 ] - [ 0.0002058100000000, -0.0003304200000000, -0.0002100500000000 ] - [ 0.0000098000000000, -0.0008561100000000, -0.0003067700000000 ] - [ 0.0001232300000000, -0.0000664400000000, -0.0004231600000000 ] - [ -0.0002232700000000, -0.0001022800000000, 0.0011300500000000 ] - [ -0.0003560900000000, -0.0001083400000000, 0.0000595600000000 ] - [ 0.0006837900000000, -0.0013839400000000, -0.0004290300000000 ] - [ 0.0001507000000000, 0.0011077800000000, -0.0006466300000000 ] - [ -0.0003856400000000, 0.0005482600000000, 0.0024504700000000 ] - [ -0.0003488900000000, 0.0001353100000000, -0.0004296900000000 ] - [ 0.0005640100000000, -0.0006302000000000, -0.0001229900000000 ] - [ 0.0001367100000000, 0.0000625500000000, -0.0003595500000000 ] - [ 0.0033352000000000, -0.0040327000000000, 0.0152405100000000 ] - [ 0.0001855500000000, 0.0003256600000000, -0.0003508900000000 ] - [ -0.0006244900000000, -0.0004402800000000, -0.0001245900000000 ] - [ -0.0001672700000000, -0.0000084600000000, -0.0003764500000000 ] - [ 0.0019758500000000, -0.0006444100000000, -0.0016876100000000 ] - [ -0.0007879700000000, 0.0007383000000000, -0.0012667900000000 ] - [ 0.0016873400000000, 0.0020931400000000, -0.0024466400000000 ] - [ 0.0002562800000000, -0.0005419200000000, -0.0013554400000000 ] - [ -0.0017421000000000, -0.0011961000000000, -0.0014855200000000 ] - [ 0.0004101300000000, 0.0001972600000000, -0.0012447100000000 ] - [ -0.0011593500000000, -0.0013462900000000, -0.0002432500000000 ] - [ 0.0000033600000000, 0.0008021300000000, -0.0004700000000000 ] - [ -0.0003097500000000, 0.0010788200000000, 0.0000916400000000 ] - [ -0.0004177600000000, -0.0000305600000000, -0.0002345400000000 ] - [ -0.0004279300000000, 0.0019658800000000, 0.0003262500000000 ] - [ -0.0003835800000000, -0.0007993100000000, -0.0001898700000000 ] - [ -0.0000014400000000, -0.0001457200000000, 0.0004881300000000 ] - [ 0.0001090200000000, -0.0000538900000000, 0.0001984700000000 ] - [ -0.0001574000000000, 0.0003201300000000, 0.0018720100000000 ] - [ 0.0000078400000000, 0.0001332100000000, 0.0000141300000000 ] - [ 0.0008029500000000, -0.0002891100000000, -0.0000978200000000 ] - [ -0.0001667900000000, 0.0005297500000000, -0.0004049100000000 ] - [ -0.0013799400000000, 0.0003053400000000, -0.0002059800000000 ] - [ 0.0003995700000000, -0.0009336100000000, -0.0006233100000000 ]- atom: 83 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0021424600000000, -0.0011490800000000, 0.0022869300000000 ] - [ -0.0003084500000000, -0.0000132900000000, -0.0004785300000000 ] - [ -0.0000559000000000, -0.0008652500000000, 0.0002770600000000 ] - [ -0.0000903700000000, -0.0001203100000000, -0.0000257800000000 ] - [ -0.0001108100000000, 0.0027385100000000, 0.0025126800000000 ] - [ 0.0002551100000000, 0.0001784900000000, -0.0004207600000000 ] - [ -0.0024264000000000, 0.0007437700000000, -0.0022071900000000 ] - [ -0.0003437500000000, -0.0000447000000000, 0.0004846800000000 ] - [ -0.0001092600000000, 0.0011039900000000, -0.0005734700000000 ] - [ -0.0000519700000000, 0.0001321600000000, 0.0000902200000000 ] - [ 0.0011606700000000, -0.0025738800000000, -0.0024572000000000 ] - [ 0.0003979000000000, -0.0001193200000000, 0.0004127100000000 ] - [ -0.0000855500000000, -0.0020708400000000, -0.0003489700000000 ] - [ -0.0001457300000000, -0.0001535100000000, 0.0000450500000000 ] - [ -0.0002690600000000, 0.0029713100000000, 0.0010628900000000 ] - [ -0.0000684500000000, 0.0001757500000000, -0.0001092100000000 ] - [ -0.0060141900000000, -0.0040387300000000, -0.0047781300000000 ] - [ -0.0003590500000000, 0.0000020700000000, 0.0006053000000000 ] - [ -0.0007457100000000, 0.0079670600000000, -0.0049223600000000 ] - [ 0.0003662800000000, 0.0001991500000000, 0.0005314500000000 ] - [ 0.0031922800000000, -0.0076904800000000, 0.0048715900000000 ] - [ 0.0005773900000000, -0.0001141000000000, -0.0005093300000000 ] - [ -0.0075270300000000, 0.0026878400000000, 0.0045349800000000 ] - [ -0.0004695700000000, -0.0000991600000000, -0.0005644300000000 ] - [ -0.0030113700000000, 0.0019714200000000, -0.0004663700000000 ] - [ -0.0005884300000000, 0.0003470600000000, -0.0003875700000000 ] - [ -0.0003998000000000, -0.0001379800000000, 0.0000917400000000 ] - [ -0.0003772500000000, -0.0002172000000000, 0.0002254700000000 ] - [ -0.0009232200000000, 0.0005576500000000, 0.0004844800000000 ] - [ -0.0002932400000000, 0.0003766400000000, 0.0005032500000000 ] - [ 0.0023642700000000, -0.0015033900000000, -0.0006809400000000 ] - [ 0.0008366400000000, -0.0005797800000000, 0.0006932700000000 ] - [ 0.0000093000000000, 0.0005838800000000, -0.0003677200000000 ] - [ 0.0000463700000000, -0.0002718000000000, -0.0003831800000000 ] - [ 0.0008094900000000, -0.0009617600000000, 0.0002027400000000 ] - [ 0.0002520700000000, -0.0004908900000000, 0.0001438900000000 ] - [ -0.0032808900000000, 0.0005718100000000, 0.0002923200000000 ] - [ -0.0017059100000000, -0.0000560200000000, 0.0005355300000000 ] - [ 0.0314883800000000, -0.0005669400000000, -0.0002471300000000 ] - [ 0.0003508900000000, 0.0002488200000000, -0.0001711800000000 ] - [ 0.0014031300000000, 0.0006327600000000, 0.0001654300000000 ] - [ 0.0008779300000000, 0.0004624200000000, 0.0001735400000000 ] - [ -0.0029772300000000, -0.0005658300000000, 0.0006493200000000 ] - [ -0.0015059600000000, -0.0001513600000000, 0.0003874900000000 ] - [ -0.0017532100000000, 0.0018925300000000, -0.0004949600000000 ] - [ -0.0002971100000000, 0.0005098100000000, -0.0004708500000000 ] - [ 0.0052134200000000, 0.0001190100000000, -0.0002998100000000 ] - [ 0.0018068400000000, 0.0004146500000000, 0.0005636900000000 ] - [ -0.0028315800000000, -0.0015917500000000, -0.0005199500000000 ] - [ -0.0004852000000000, -0.0004121600000000, -0.0004873400000000 ] - [ 0.1678428200000000, 0.0699392000000000, 0.0016123000000000 ] - [ 0.0007224200000000, -0.0001196300000000, -0.0001583400000000 ] - [ 0.0025801300000000, 0.0011834500000000, 0.0017382000000000 ] - [ 0.0013814200000000, 0.0001596100000000, 0.0000306700000000 ] - [ -0.0042204100000000, 0.0009731400000000, -0.0004221300000000 ] - [ 0.0000326200000000, -0.0000650900000000, -0.0004620900000000 ] - [ -0.0018839000000000, -0.0008032700000000, -0.0003459300000000 ] - [ 0.0000911200000000, 0.0000428400000000, -0.0003890800000000 ] - [ 0.1506073200000000, -0.0601925600000000, -0.0022997800000000 ] - [ 0.0002344000000000, -0.0001056000000000, -0.0001855900000000 ] - [ 0.0005353300000000, -0.0013923800000000, 0.0003936000000000 ] - [ -0.0000667300000000, -0.0001717700000000, 0.0003727800000000 ] - [ -0.0020969300000000, -0.0015571000000000, 0.0003618600000000 ] - [ 0.0000319400000000, 0.0000955400000000, 0.0002956900000000 ] - [ 0.0013184800000000, 0.0004381800000000, -0.0000602200000000 ] - [ 0.0007225800000000, 0.0000198000000000, -0.0000305000000000 ] - [ 0.0025129900000000, -0.0003679200000000, -0.0004769900000000 ] - [ 0.0010457400000000, 0.0001622600000000, -0.0001906400000000 ] - [ -0.0022581700000000, 0.0000851200000000, 0.0014075500000000 ] - [ -0.0009620800000000, 0.0000162600000000, -0.0010318400000000 ] - [ 0.0011566100000000, 0.0020718100000000, 0.0002033100000000 ] - [ -0.0001901000000000, 0.0003570200000000, 0.0002973500000000 ] - [ -0.0023002800000000, -0.0002079800000000, 0.0008461700000000 ] - [ -0.0007331100000000, -0.0001497700000000, -0.0005779400000000 ] - [ 0.0020170200000000, -0.0027428200000000, 0.0003725700000000 ] - [ 0.0001182200000000, -0.0005594100000000, 0.0002586200000000 ] - [ 0.0021309200000000, -0.0009546700000000, 0.0000418500000000 ] - [ -0.0002056100000000, -0.0000372600000000, 0.0000339100000000 ] - [ 0.0738398300000000, -0.0012099700000000, -0.0043281800000000 ] - [ 0.0000496200000000, 0.0001315400000000, 0.0002097700000000 ] - [ 0.0036646400000000, -0.0009537300000000, 0.0002137300000000 ] - [ -0.0000381500000000, -0.0004595200000000, 0.0000700000000000 ] - [ -0.4767783600000000, -0.0093676700000000, 0.0002330700000000 ] - [ -0.0003287100000000, 0.0003398400000000, 0.0003695100000000 ] - [ -0.0065577100000000, -0.0002409800000000, 0.0003097700000000 ] - [ -0.0000650000000000, -0.0003221400000000, 0.0002259200000000 ] - [ 0.0028321100000000, 0.0004581700000000, -0.0003417700000000 ] - [ 0.0014295400000000, 0.0004320600000000, 0.0001597800000000 ] - [ -0.0018844700000000, -0.0376572900000000, -0.0003071900000000 ] - [ 0.0000238500000000, -0.0003677100000000, 0.0003835200000000 ] - [ -0.0027366300000000, -0.0004595200000000, -0.0005842400000000 ] - [ -0.0010961000000000, -0.0002420700000000, -0.0003258400000000 ] - [ -0.0025641900000000, 0.0001575700000000, -0.0023692400000000 ] - [ -0.0009305000000000, 0.0001612000000000, 0.0001813700000000 ] - [ 0.0013203800000000, -0.0012917400000000, 0.0000129300000000 ] - [ 0.0006188900000000, -0.0002754700000000, 0.0000735300000000 ] - [ 0.0024510900000000, -0.0000341600000000, 0.0000596400000000 ] - [ 0.0004010500000000, -0.0002882900000000, 0.0000370900000000 ] - [ -0.0006780200000000, -0.0000649900000000, -0.0005109200000000 ] - [ -0.0002867400000000, -0.0002175700000000, -0.0002814200000000 ] - [ -0.0015997900000000, 0.0379470600000000, 0.0011967600000000 ] - [ -0.0006150800000000, -0.0000128000000000, 0.0003633200000000 ] - [ 0.0004502800000000, 0.0009072100000000, -0.0000104100000000 ] - [ 0.0003855400000000, 0.0005991900000000, -0.0006306300000000 ] - [ 0.0694688200000000, 0.0031024800000000, 0.0050110700000000 ] - [ -0.0005495500000000, 0.0002145200000000, 0.0002477300000000 ] - [ 0.0001806000000000, 0.0013793700000000, -0.0009316500000000 ] - [ 0.0002019400000000, 0.0004617800000000, 0.0001671300000000 ] - [ 0.0036415400000000, 0.0003507900000000, 0.0000071700000000 ] - [ 0.0004108300000000, 0.0003497300000000, 0.0000276300000000 ] - [ -0.0007922000000000, -0.0016869200000000, 0.0004452400000000 ] - [ -0.0005374300000000, -0.0008139300000000, -0.0006038100000000 ] - [ -0.0009831300000000, 0.0012195800000000, 0.0008746100000000 ] - [ -0.0005108200000000, 0.0006050700000000, -0.0008278100000000 ] - [ 0.0025243100000000, -0.0010254300000000, 0.0015860600000000 ] - [ 0.0013394300000000, -0.0003433100000000, -0.0008675800000000 ] - [ -0.0011841500000000, -0.0009979900000000, -0.0018734400000000 ] - [ -0.0008662600000000, -0.0004135300000000, 0.0004360900000000 ] - [ -0.0003836200000000, -0.0002365100000000, -0.0005457400000000 ] - [ -0.0003281800000000, -0.0000839100000000, -0.0002275100000000 ] - [ -0.0003064100000000, 0.0001541800000000, -0.0001537800000000 ] - [ -0.0003469800000000, 0.0002521800000000, -0.0000388000000000 ] - [ 0.0009088000000000, -0.0008011700000000, 0.0002884500000000 ] - [ 0.0002709600000000, -0.0003268500000000, -0.0002431100000000 ] - [ 0.0003041000000000, 0.0005819200000000, 0.0003887600000000 ] - [ 0.0001150400000000, 0.0000108200000000, 0.0003735000000000 ] - [ 0.0021256500000000, 0.0001211500000000, 0.0003625100000000 ] - [ 0.0002026500000000, 0.0001371000000000, 0.0003827300000000 ] - [ 0.0016681400000000, 0.0021644800000000, 0.0001409700000000 ] - [ -0.0000138100000000, 0.0006276600000000, 0.0000782000000000 ] - [ 0.0017277500000000, 0.0003740400000000, -0.0017143000000000 ] - [ 0.0005856100000000, -0.0001915500000000, 0.0007090800000000 ]- atom: 83 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0020060800000000, 0.0013704400000000, -0.0022730900000000 ] - [ 0.0001770400000000, 0.0002456000000000, 0.0004754600000000 ] - [ -0.0000940500000000, 0.0011268700000000, -0.0002776800000000 ] - [ -0.0000607000000000, 0.0003819300000000, 0.0000258800000000 ] - [ 0.0004301300000000, -0.0027283700000000, -0.0025051600000000 ] - [ 0.0000510500000000, -0.0001797900000000, 0.0004210100000000 ] - [ 0.0022782400000000, -0.0010108300000000, 0.0022203100000000 ] - [ 0.0001904900000000, -0.0002150100000000, -0.0004880400000000 ] - [ -0.0000292600000000, -0.0013351200000000, 0.0005702700000000 ] - [ -0.0000842400000000, -0.0003662700000000, -0.0000899300000000 ] - [ -0.0009202500000000, 0.0025691400000000, 0.0024498500000000 ] - [ -0.0001320600000000, 0.0001169300000000, -0.0004104100000000 ] - [ -0.0001342900000000, 0.0024598800000000, 0.0003505900000000 ] - [ -0.0000765300000000, 0.0005379500000000, -0.0000449700000000 ] - [ 0.0000617800000000, -0.0033042300000000, -0.0010548100000000 ] - [ -0.0001321000000000, -0.0005200000000000, 0.0001091000000000 ] - [ 0.0058059300000000, 0.0043440800000000, 0.0047491400000000 ] - [ 0.0001649400000000, 0.0003430900000000, -0.0006011000000000 ] - [ 0.0012304400000000, -0.0079301500000000, 0.0049019100000000 ] - [ 0.0000819400000000, -0.0002013500000000, -0.0005309100000000 ] - [ -0.0028843200000000, 0.0076697900000000, -0.0048486300000000 ] - [ -0.0001819900000000, 0.0001122200000000, 0.0005066200000000 ] - [ 0.0073217200000000, -0.0030993500000000, -0.0045625400000000 ] - [ 0.0002431700000000, -0.0002843800000000, 0.0005682900000000 ] - [ 0.0023897700000000, -0.0016506700000000, -0.0003094400000000 ] - [ -0.0000317800000000, -0.0000156400000000, -0.0003884600000000 ] - [ 0.0003239700000000, -0.0004215900000000, 0.0002568000000000 ] - [ 0.0003051700000000, -0.0003346400000000, 0.0001242300000000 ] - [ 0.0017476600000000, -0.0003609900000000, 0.0004650800000000 ] - [ 0.0011177400000000, -0.0001872000000000, 0.0004476200000000 ] - [ -0.0029862800000000, 0.0011782500000000, 0.0014578900000000 ] - [ -0.0014634800000000, 0.0002434100000000, 0.0000828300000000 ] - [ 0.0000013000000000, -0.0013357900000000, -0.0004103100000000 ] - [ -0.0000262300000000, -0.0004499200000000, -0.0003931000000000 ] - [ -0.0012351400000000, 0.0012899200000000, 0.0001468800000000 ] - [ -0.0006810100000000, 0.0008243200000000, 0.0002049900000000 ] - [ 0.0030440600000000, -0.0013663100000000, 0.0006561500000000 ] - [ 0.0014730500000000, -0.0007441900000000, 0.0004162100000000 ] - [ -0.0315314700000000, 0.0011565400000000, -0.0000977500000000 ] - [ -0.0004342300000000, 0.0002992000000000, -0.0001774800000000 ] - [ -0.0008850400000000, -0.0004373000000000, 0.0001851300000000 ] - [ -0.0003621300000000, -0.0002662700000000, 0.0001750900000000 ] - [ 0.0024099100000000, 0.0011782200000000, 0.0002998700000000 ] - [ 0.0009372100000000, 0.0007604600000000, 0.0005645400000000 ] - [ 0.0015053400000000, -0.0010634100000000, -0.0004565300000000 ] - [ 0.0000485200000000, 0.0003001300000000, -0.0004802900000000 ] - [ -0.0051775100000000, 0.0006227100000000, 0.0011219700000000 ] - [ -0.0017850500000000, 0.0003093300000000, 0.0002016700000000 ] - [ 0.0022436800000000, 0.0010092500000000, -0.0004315900000000 ] - [ -0.0000977700000000, -0.0001898300000000, -0.0004644000000000 ] - [ -0.1559606000000000, -0.0630562300000000, -0.0017308000000000 ] - [ -0.0002106500000000, -0.0000830800000000, -0.0001904500000000 ] - [ -0.0020048000000000, -0.0015215700000000, -0.0009615100000000 ] - [ -0.0007926700000000, -0.0005195300000000, 0.0007437600000000 ] - [ 0.0050226000000000, -0.0011459400000000, -0.0005278200000000 ] - [ 0.0007753200000000, -0.0001182700000000, -0.0004881500000000 ] - [ 0.0024959000000000, 0.0011625500000000, -0.0004303700000000 ] - [ 0.0005243800000000, 0.0003297800000000, -0.0003876000000000 ] - [ -0.1619762500000000, 0.0668125100000000, 0.0021931300000000 ] - [ -0.0006717200000000, -0.0002283400000000, -0.0001634400000000 ] - [ -0.0007631100000000, 0.0012971500000000, 0.0003621400000000 ] - [ -0.0001581800000000, 0.0000563000000000, 0.0003829800000000 ] - [ 0.0026534800000000, 0.0019291800000000, 0.0002077400000000 ] - [ 0.0005335200000000, 0.0002230300000000, 0.0002791200000000 ] - [ -0.0009724100000000, -0.0011341700000000, -0.0000095600000000 ] - [ -0.0003745100000000, -0.0007141100000000, -0.0000395200000000 ] - [ -0.0024331100000000, 0.0010818700000000, 0.0000260800000000 ] - [ -0.0009636000000000, 0.0005445100000000, -0.0002791000000000 ] - [ 0.0020180400000000, 0.0000130600000000, -0.0021689900000000 ] - [ 0.0007339300000000, 0.0000935500000000, 0.0002793900000000 ] - [ -0.0017324800000000, -0.0017312300000000, 0.0003692300000000 ] - [ -0.0003854600000000, -0.0000244400000000, 0.0002780900000000 ] - [ 0.0028592000000000, -0.0001142700000000, -0.0014573400000000 ] - [ 0.0013036500000000, -0.0001819500000000, 0.0000136800000000 ] - [ -0.0020343000000000, 0.0020989300000000, 0.0001987900000000 ] - [ -0.0001426400000000, -0.0000951000000000, 0.0003148500000000 ] - [ -0.0029023700000000, 0.0008923100000000, 0.0000280500000000 ] - [ -0.0005663800000000, -0.0000090400000000, 0.0000360800000000 ] - [ -0.0747832400000000, 0.0016816900000000, 0.0048599600000000 ] - [ 0.0005190300000000, 0.0002879700000000, 0.0002523300000000 ] - [ -0.0044040600000000, 0.0001677700000000, -0.0000640500000000 ] - [ -0.0007110900000000, -0.0003245600000000, 0.0000809200000000 ] - [ 0.4766509000000000, -0.0041651200000000, -0.0000900700000000 ] - [ 0.0005184400000000, 0.0003819400000000, 0.0003778500000000 ] - [ 0.0066301600000000, -0.0004625600000000, 0.0001499200000000 ] - [ 0.0001465200000000, -0.0003676300000000, 0.0002368500000000 ] - [ -0.0024170300000000, 0.0001952700000000, 0.0002757100000000 ] - [ -0.0010142300000000, 0.0002226200000000, -0.0002315500000000 ] - [ 0.0026226800000000, 0.0370852300000000, 0.0010558600000000 ] - [ 0.0005068100000000, -0.0001610900000000, 0.0003669300000000 ] - [ 0.0027442700000000, 0.0001986600000000, -0.0001721400000000 ] - [ 0.0011066800000000, -0.0000132600000000, -0.0004272200000000 ] - [ 0.0027840800000000, -0.0000391400000000, 0.0015865500000000 ] - [ 0.0011402400000000, -0.0000282800000000, -0.0009290700000000 ] - [ -0.0002683800000000, 0.0010263800000000, 0.0001385300000000 ] - [ 0.0004373200000000, 0.0000205300000000, 0.0000775800000000 ] - [ -0.0020138100000000, -0.0006296700000000, 0.0000098300000000 ] - [ 0.0000317700000000, -0.0003675000000000, 0.0000323300000000 ] - [ 0.0008516600000000, -0.0006537400000000, -0.0002371800000000 ] - [ 0.0004571800000000, -0.0005031100000000, -0.0004659400000000 ] - [ 0.0006949600000000, -0.0380741300000000, -0.0004398000000000 ] - [ -0.0000991800000000, -0.0001992000000000, 0.0003855600000000 ] - [ 0.0000801300000000, -0.0003695300000000, -0.0007354000000000 ] - [ 0.0001427600000000, -0.0000671100000000, -0.0001188300000000 ] - [ -0.0687107100000000, -0.0027478900000000, -0.0044744400000000 ] - [ -0.0000898300000000, 0.0000781900000000, 0.0002159600000000 ] - [ 0.0003870500000000, -0.0017771300000000, 0.0004640300000000 ] - [ 0.0003665100000000, -0.0008630900000000, -0.0006284400000000 ] - [ -0.0032761400000000, 0.0003220100000000, 0.0000620900000000 ] - [ -0.0000487700000000, 0.0003362700000000, 0.0000420900000000 ] - [ 0.0001537500000000, 0.0014079500000000, -0.0009061400000000 ] - [ -0.0000979500000000, 0.0005377900000000, 0.0001383400000000 ] - [ 0.0009622600000000, -0.0005746700000000, -0.0014435300000000 ] - [ 0.0004974300000000, 0.0000417300000000, 0.0002529900000000 ] - [ -0.0014690200000000, 0.0012780600000000, -0.0017260800000000 ] - [ -0.0002873700000000, 0.0006004200000000, 0.0007113300000000 ] - [ 0.0006498800000000, 0.0006453900000000, 0.0013069300000000 ] - [ 0.0003199100000000, 0.0000622500000000, -0.0010096300000000 ] - [ -0.0003367200000000, 0.0004384300000000, -0.0002049800000000 ] - [ -0.0003936800000000, 0.0002818600000000, -0.0005227700000000 ] - [ -0.0004436500000000, 0.0006254000000000, 0.0000016700000000 ] - [ -0.0004016600000000, 0.0005364400000000, -0.0001122200000000 ] - [ -0.0016923500000000, 0.0008423100000000, -0.0003564900000000 ] - [ -0.0010549800000000, 0.0003706800000000, 0.0001729800000000 ] - [ -0.0000831600000000, -0.0007045600000000, 0.0003659700000000 ] - [ 0.0000957900000000, -0.0001451100000000, 0.0003821700000000 ] - [ -0.0021078100000000, 0.0001365100000000, 0.0003917100000000 ] - [ -0.0001874800000000, 0.0001122000000000, 0.0003725500000000 ] - [ -0.0019557800000000, -0.0011321400000000, 0.0000115300000000 ] - [ -0.0002833000000000, 0.0004130000000000, 0.0000726100000000 ] - [ -0.0020215500000000, -0.0014213400000000, 0.0015684900000000 ] - [ -0.0008834200000000, -0.0008518500000000, -0.0008614200000000 ]- atom: 83 displacement: [ -0.0050000000040513, 0.0086602540355054, 0.0000000000000000 ] forces: - [ 0.0004489400000000, 0.0011282000000000, -0.0007291500000000 ] - [ 0.0000039800000000, 0.0002560200000000, 0.0001730300000000 ] - [ -0.0006312300000000, -0.0002160800000000, 0.0005240900000000 ] - [ -0.0001824000000000, 0.0001215700000000, -0.0001200600000000 ] - [ 0.0015368600000000, -0.0019337100000000, -0.0021022100000000 ] - [ 0.0002686100000000, -0.0001477500000000, 0.0003603000000000 ] - [ 0.0012813500000000, -0.0001567200000000, 0.0012613700000000 ] - [ 0.0000788200000000, -0.0000626400000000, -0.0002681800000000 ] - [ 0.0006391700000000, -0.0015552300000000, 0.0011644500000000 ] - [ 0.0000158200000000, -0.0003297100000000, -0.0002301000000000 ] - [ -0.0016231800000000, 0.0004967600000000, -0.0001601100000000 ] - [ -0.0001184900000000, 0.0000336600000000, 0.0000593700000000 ] - [ -0.0015788700000000, -0.0007623800000000, -0.0010139400000000 ] - [ -0.0002501900000000, 0.0001845100000000, 0.0001255800000000 ] - [ 0.0019039300000000, -0.0039414800000000, -0.0022797100000000 ] - [ -0.0000002800000000, -0.0004352300000000, 0.0002708900000000 ] - [ 0.0013177600000000, 0.0032255700000000, 0.0015929400000000 ] - [ -0.0000121600000000, 0.0003685900000000, -0.0002151100000000 ] - [ 0.0036570600000000, -0.0051113300000000, 0.0036493200000000 ] - [ 0.0003501500000000, -0.0001701100000000, -0.0004418000000000 ] - [ -0.0048470600000000, 0.0014966000000000, 0.0002601200000000 ] - [ -0.0001006700000000, 0.0000296900000000, -0.0001056000000000 ] - [ 0.0040169100000000, -0.0006963500000000, -0.0024528900000000 ] - [ 0.0000643600000000, -0.0000677100000000, 0.0003022000000000 ] - [ 0.0015034100000000, -0.0023148800000000, -0.0002945600000000 ] - [ -0.0001252800000000, -0.0000345200000000, -0.0003857900000000 ] - [ 0.0003038400000000, -0.0004941300000000, 0.0002055000000000 ] - [ 0.0002025100000000, -0.0004147000000000, 0.0001506700000000 ] - [ 0.0010026700000000, -0.0010329100000000, 0.0004220500000000 ] - [ 0.0007486400000000, -0.0005719700000000, 0.0004757000000000 ] - [ -0.0020369000000000, 0.0016776900000000, -0.0000736400000000 ] - [ -0.0010342600000000, 0.0006125500000000, 0.0005188800000000 ] - [ -0.0007519600000000, -0.0043783000000000, -0.0005477400000000 ] - [ 0.0000187800000000, -0.0006238000000000, -0.0003936600000000 ] - [ -0.0006317000000000, 0.0001508900000000, 0.0001947100000000 ] - [ -0.0004464000000000, 0.0001218800000000, 0.0001608800000000 ] - [ 0.0014666300000000, -0.0010525800000000, 0.0005773500000000 ] - [ 0.0007101400000000, -0.0006166600000000, 0.0004223200000000 ] - [ -0.0155962500000000, -0.0099852400000000, -0.0007732100000000 ] - [ -0.0002348800000000, 0.0004073900000000, -0.0001698100000000 ] - [ 0.0002818900000000, -0.0005776200000000, 0.0002531600000000 ] - [ 0.0002549000000000, -0.0003607600000000, 0.0001530700000000 ] - [ 0.0004077500000000, 0.0002728100000000, 0.0004077700000000 ] - [ -0.0001024500000000, 0.0002831400000000, 0.0005370100000000 ] - [ 0.0007903800000000, -0.0009295500000000, -0.0004517900000000 ] - [ -0.0000141200000000, 0.0002851800000000, -0.0004725000000000 ] - [ -0.0024865600000000, 0.0037140600000000, 0.0021529900000000 ] - [ -0.0008084800000000, 0.0013667600000000, -0.0000411000000000 ] - [ -0.0000017500000000, 0.0001843700000000, -0.0004716500000000 ] - [ -0.0003194000000000, -0.0002659700000000, -0.0004798000000000 ] - [ -0.0289002800000000, 0.0525229500000000, -0.0003748300000000 ] - [ 0.0000640800000000, 0.0001231300000000, -0.0001880800000000 ] - [ -0.0007669500000000, 0.0009985000000000, -0.0011556500000000 ] - [ -0.0002558700000000, 0.0004899400000000, 0.0007816700000000 ] - [ 0.0026396700000000, -0.0003810400000000, -0.0005048700000000 ] - [ 0.0005792600000000, -0.0000195900000000, -0.0004829800000000 ] - [ 0.0000932900000000, -0.0008801600000000, -0.0003598500000000 ] - [ 0.0003292100000000, 0.0000997100000000, -0.0003873700000000 ] - [ -0.1337429600000000, 0.1190907500000000, 0.0019320500000000 ] - [ -0.0004417700000000, 0.0000396000000000, -0.0001765100000000 ] - [ -0.0011641500000000, 0.0029831200000000, 0.0004026600000000 ] - [ -0.0001968900000000, 0.0001355600000000, 0.0003839000000000 ] - [ 0.0010163100000000, 0.0065783200000000, 0.0000202400000000 ] - [ 0.0003856100000000, 0.0003282800000000, 0.0002699200000000 ] - [ -0.0001022500000000, -0.0001706900000000, 0.0000405700000000 ] - [ 0.0000627200000000, -0.0002158700000000, -0.0000765000000000 ] - [ -0.0010932400000000, 0.0007786100000000, -0.0000433900000000 ] - [ -0.0004280700000000, 0.0005036300000000, -0.0003340800000000 ] - [ 0.0005708700000000, -0.0016823800000000, -0.0010248000000000 ] - [ 0.0001605500000000, -0.0005951000000000, -0.0000917500000000 ] - [ 0.0006579700000000, 0.0001573800000000, 0.0003624600000000 ] - [ -0.0002452300000000, 0.0001131300000000, 0.0002928500000000 ] - [ 0.0011956900000000, -0.0010151100000000, -0.0032625000000000 ] - [ 0.0007097000000000, -0.0006071500000000, 0.0005022500000000 ] - [ -0.0023817400000000, 0.0015217800000000, 0.0002620100000000 ] - [ -0.0001491000000000, -0.0002044700000000, 0.0003087300000000 ] - [ -0.0017866200000000, 0.0007014900000000, 0.0000304600000000 ] - [ -0.0005139700000000, -0.0000055900000000, 0.0000285100000000 ] - [ -0.0283472200000000, -0.0119631200000000, 0.0021951100000000 ] - [ 0.0004085200000000, 0.0001056500000000, 0.0002417200000000 ] - [ -0.0023616600000000, -0.0003870500000000, -0.0000191100000000 ] - [ -0.0005263200000000, -0.0004283200000000, 0.0000871200000000 ] - [ 0.2423961500000000, -0.2062727200000000, -0.0012658400000000 ] - [ 0.0002902700000000, 0.0002444300000000, 0.0003836000000000 ] - [ 0.0033370800000000, 0.0065881900000000, 0.0008683100000000 ] - [ 0.0001091000000000, -0.0004026200000000, 0.0002448400000000 ] - [ -0.0008808600000000, 0.0003054700000000, 0.0001360700000000 ] - [ -0.0002845900000000, 0.0002689600000000, -0.0001736900000000 ] - [ -0.0228138100000000, 0.0509313100000000, 0.0014384700000000 ] - [ 0.0003612200000000, -0.0003750600000000, 0.0003726800000000 ] - [ 0.0013256300000000, -0.0006762500000000, 0.0006053900000000 ] - [ 0.0005332500000000, -0.0004275200000000, -0.0007375500000000 ] - [ 0.0020128100000000, -0.0017116200000000, 0.0002865000000000 ] - [ 0.0007935300000000, -0.0006496800000000, -0.0004886000000000 ] - [ -0.0002195200000000, 0.0012955600000000, 0.0000709900000000 ] - [ 0.0004390000000000, 0.0000683400000000, 0.0000745000000000 ] - [ -0.0005354800000000, 0.0000870600000000, 0.0000308500000000 ] - [ 0.0001604300000000, -0.0002941200000000, 0.0000396300000000 ] - [ 0.0002148600000000, -0.0000762900000000, -0.0005558700000000 ] - [ 0.0001488800000000, -0.0001908300000000, -0.0002568400000000 ] - [ 0.0247909400000000, 0.0116761900000000, 0.0006869300000000 ] - [ -0.0002099500000000, -0.0003011800000000, 0.0003807700000000 ] - [ 0.0000850500000000, 0.0003722100000000, -0.0004902700000000 ] - [ 0.0001655100000000, 0.0003451000000000, -0.0002966200000000 ] - [ -0.0423746000000000, -0.0139190200000000, -0.0024813500000000 ] - [ -0.0002204200000000, -0.0000066100000000, 0.0002217100000000 ] - [ 0.0007146600000000, 0.0000061300000000, -0.0001680700000000 ] - [ 0.0004901500000000, -0.0001034600000000, -0.0002585600000000 ] - [ -0.0012833000000000, 0.0003062300000000, 0.0000531900000000 ] - [ 0.0001040700000000, 0.0003098700000000, 0.0000456200000000 ] - [ -0.0006297600000000, 0.0011660100000000, -0.0004586400000000 ] - [ -0.0004383800000000, 0.0004869900000000, -0.0000818500000000 ] - [ 0.0006931600000000, -0.0003548700000000, -0.0000272900000000 ] - [ 0.0002735700000000, 0.0000138200000000, -0.0003531200000000 ] - [ -0.0006327800000000, 0.0004748800000000, -0.0009355600000000 ] - [ 0.0000257100000000, 0.0002228400000000, 0.0003507600000000 ] - [ -0.0000069500000000, -0.0003570300000000, 0.0012108400000000 ] - [ 0.0000170100000000, -0.0003416600000000, -0.0009072300000000 ] - [ -0.0005459500000000, 0.0005276100000000, -0.0002173900000000 ] - [ -0.0004646600000000, 0.0003580300000000, -0.0005097200000000 ] - [ -0.0002894600000000, 0.0012186500000000, 0.0003938800000000 ] - [ -0.0003252700000000, 0.0008188800000000, -0.0003503900000000 ] - [ -0.0012567700000000, 0.0008158400000000, -0.0002599300000000 ] - [ -0.0008652900000000, 0.0003925500000000, 0.0001466500000000 ] - [ 0.0012004700000000, 0.0015873900000000, 0.0003781500000000 ] - [ 0.0001419400000000, 0.0000348200000000, 0.0003820600000000 ] - [ -0.0009614700000000, 0.0006664200000000, 0.0003623700000000 ] - [ -0.0000924200000000, 0.0001721700000000, 0.0003718800000000 ] - [ 0.0000882800000000, 0.0001761900000000, 0.0001482300000000 ] - [ -0.0000673500000000, 0.0005428500000000, 0.0000744800000000 ] - [ -0.0002463500000000, -0.0011498700000000, 0.0003465100000000 ] - [ -0.0000768300000000, -0.0007643300000000, -0.0001930600000000 ]- atom: 83 displacement: [ 0.0050000000040513, -0.0086602540355054, 0.0000000000000000 ] forces: - [ -0.0005682700000000, -0.0008888700000000, 0.0007161700000000 ] - [ -0.0001362100000000, -0.0000227400000000, -0.0001699500000000 ] - [ 0.0004790500000000, 0.0004837800000000, -0.0005256300000000 ] - [ 0.0000310000000000, 0.0001411800000000, 0.0001206400000000 ] - [ -0.0012385500000000, 0.0019214600000000, 0.0020955300000000 ] - [ 0.0000333100000000, 0.0001457400000000, -0.0003580400000000 ] - [ -0.0014169200000000, -0.0001045600000000, -0.0012488000000000 ] - [ -0.0002275100000000, -0.0001966400000000, 0.0002654400000000 ] - [ -0.0007727700000000, 0.0013080600000000, -0.0011537400000000 ] - [ -0.0001517900000000, 0.0000936000000000, 0.0002287900000000 ] - [ 0.0018834200000000, -0.0004903000000000, 0.0001641700000000 ] - [ 0.0003863300000000, -0.0000339500000000, -0.0000603500000000 ] - [ 0.0013522600000000, 0.0011604600000000, 0.0010140000000000 ] - [ 0.0000276300000000, 0.0002021400000000, -0.0001251900000000 ] - [ -0.0020958500000000, 0.0035632500000000, 0.0022589900000000 ] - [ -0.0001995300000000, 0.0000892300000000, -0.0002683000000000 ] - [ -0.0014736200000000, -0.0028583600000000, -0.0015663800000000 ] - [ -0.0001833400000000, -0.0000229500000000, 0.0002124600000000 ] - [ -0.0032239100000000, 0.0050721400000000, -0.0036318800000000 ] - [ 0.0000937200000000, 0.0001667300000000, 0.0004399100000000 ] - [ 0.0052139900000000, -0.0014780200000000, -0.0002675800000000 ] - [ 0.0004963100000000, -0.0000296000000000, 0.0001079700000000 ] - [ -0.0041976600000000, 0.0003034000000000, 0.0024283900000000 ] - [ -0.0002849000000000, -0.0003163300000000, -0.0002983400000000 ] - [ -0.0021038400000000, 0.0026388200000000, -0.0004811800000000 ] - [ -0.0004935800000000, 0.0003674500000000, -0.0003900500000000 ] - [ -0.0003722600000000, -0.0000476700000000, 0.0001431700000000 ] - [ -0.0002704700000000, -0.0001269100000000, 0.0001983500000000 ] - [ -0.0001716700000000, 0.0012151600000000, 0.0005276200000000 ] - [ 0.0000791800000000, 0.0007549200000000, 0.0004742400000000 ] - [ 0.0013829000000000, -0.0020044000000000, 0.0008627100000000 ] - [ 0.0003919600000000, -0.0009528600000000, 0.0002551100000000 ] - [ 0.0007779500000000, 0.0036473600000000, -0.0002291000000000 ] - [ 0.0000011700000000, -0.0000983800000000, -0.0003824500000000 ] - [ 0.0002033900000000, 0.0001909300000000, 0.0001537300000000 ] - [ 0.0000158600000000, 0.0002202100000000, 0.0001882000000000 ] - [ -0.0016847100000000, 0.0002429000000000, 0.0003734400000000 ] - [ -0.0009356900000000, -0.0001895700000000, 0.0005278600000000 ] - [ 0.0151264100000000, 0.0105859500000000, 0.0004239400000000 ] - [ 0.0001483800000000, 0.0001379600000000, -0.0001787500000000 ] - [ 0.0002283900000000, 0.0007751700000000, 0.0000948800000000 ] - [ 0.0002567400000000, 0.0005580000000000, 0.0001961700000000 ] - [ -0.0009599700000000, 0.0003362700000000, 0.0005417300000000 ] - [ -0.0004555400000000, 0.0003251700000000, 0.0004139400000000 ] - [ -0.0010364200000000, 0.0017270600000000, -0.0004990600000000 ] - [ -0.0002360300000000, 0.0005217900000000, -0.0004782000000000 ] - [ 0.0024783800000000, -0.0030036400000000, -0.0013613900000000 ] - [ 0.0008152400000000, -0.0006483800000000, 0.0008150400000000 ] - [ -0.0005674400000000, -0.0007822400000000, -0.0004792300000000 ] - [ -0.0002597100000000, -0.0003377300000000, -0.0004713200000000 ] - [ 0.0284043800000000, -0.0533987200000000, 0.0000181700000000 ] - [ 0.0004413100000000, -0.0003259100000000, -0.0001606500000000 ] - [ 0.0013427800000000, -0.0013598200000000, 0.0019174000000000 ] - [ 0.0008455900000000, -0.0008584100000000, -0.0000018400000000 ] - [ -0.0018102200000000, 0.0001915400000000, -0.0004455100000000 ] - [ 0.0002302900000000, -0.0001656600000000, -0.0004670800000000 ] - [ 0.0005396300000000, 0.0012613400000000, -0.0004173800000000 ] - [ 0.0002891500000000, 0.0002762200000000, -0.0003890500000000 ] - [ 0.1228210400000000, -0.1150626900000000, -0.0020710100000000 ] - [ 0.0000050900000000, -0.0003729400000000, -0.0001722200000000 ] - [ 0.0009351900000000, -0.0030960600000000, 0.0003528400000000 ] - [ -0.0000292200000000, -0.0002525200000000, 0.0003723200000000 ] - [ -0.0004424600000000, -0.0063069700000000, 0.0005561700000000 ] - [ 0.0001819900000000, -0.0000086600000000, 0.0003051700000000 ] - [ 0.0004452200000000, -0.0005228200000000, -0.0001105600000000 ] - [ 0.0002839100000000, -0.0004788200000000, 0.0000064900000000 ] - [ 0.0011616500000000, -0.0000769900000000, -0.0004180300000000 ] - [ 0.0005040900000000, 0.0001953700000000, -0.0001298600000000 ] - [ -0.0007851900000000, 0.0017951100000000, 0.0002510200000000 ] - [ -0.0003798500000000, 0.0007098600000000, -0.0006582300000000 ] - [ -0.0012450300000000, 0.0001622900000000, 0.0002133100000000 ] - [ -0.0003318400000000, 0.0002167300000000, 0.0002825500000000 ] - [ -0.0006121300000000, 0.0006873000000000, 0.0026931900000000 ] - [ -0.0001304000000000, 0.0002732800000000, -0.0010739000000000 ] - [ 0.0023398900000000, -0.0021660500000000, 0.0003119200000000 ] - [ 0.0001240700000000, -0.0004512800000000, 0.0002649000000000 ] - [ 0.0010005000000000, -0.0007382000000000, 0.0000394800000000 ] - [ -0.0002596900000000, -0.0000390100000000, 0.0000416200000000 ] - [ 0.0285103700000000, 0.0122266300000000, -0.0017026800000000 ] - [ 0.0001572600000000, 0.0003132500000000, 0.0002207100000000 ] - [ 0.0015932700000000, -0.0003947900000000, 0.0001697700000000 ] - [ -0.0002248000000000, -0.0003550100000000, 0.0000639700000000 ] - [ -0.2298383800000000, 0.2020341800000000, 0.0017717900000000 ] - [ -0.0000976500000000, 0.0004788300000000, 0.0003643900000000 ] - [ -0.0031733300000000, -0.0072567000000000, -0.0004045900000000 ] - [ -0.0000266200000000, -0.0002842800000000, 0.0002182600000000 ] - [ 0.0012809100000000, 0.0003538100000000, -0.0002038700000000 ] - [ 0.0006922900000000, 0.0003891500000000, 0.0001027600000000 ] - [ 0.0227517400000000, -0.0500866800000000, -0.0006803100000000 ] - [ 0.0001716400000000, -0.0001539300000000, 0.0003781900000000 ] - [ -0.0012947300000000, 0.0004197600000000, -0.0013569700000000 ] - [ -0.0005144100000000, 0.0001732900000000, -0.0000188800000000 ] - [ -0.0017856000000000, 0.0018427100000000, -0.0010405200000000 ] - [ -0.0005788900000000, 0.0007862200000000, -0.0002683100000000 ] - [ 0.0012752600000000, -0.0015395500000000, 0.0000811300000000 ] - [ 0.0006190700000000, -0.0003206200000000, 0.0000769900000000 ] - [ 0.0009618800000000, -0.0007428800000000, 0.0000386100000000 ] - [ 0.0002721800000000, -0.0003627700000000, 0.0000297400000000 ] - [ -0.0000402300000000, -0.0006497900000000, -0.0001905700000000 ] - [ 0.0000232500000000, -0.0005344100000000, -0.0004923500000000 ] - [ -0.0252712000000000, -0.0120277600000000, 0.0000528800000000 ] - [ -0.0005027700000000, 0.0000874600000000, 0.0003686800000000 ] - [ 0.0004462100000000, 0.0001528800000000, -0.0002589700000000 ] - [ 0.0003643200000000, 0.0001797600000000, -0.0004511900000000 ] - [ 0.0419145800000000, 0.0144197200000000, 0.0029384700000000 ] - [ -0.0004138000000000, 0.0002982200000000, 0.0002421100000000 ] - [ -0.0001473400000000, -0.0004128600000000, -0.0002947100000000 ] - [ 0.0000775600000000, -0.0003031800000000, -0.0002074300000000 ] - [ 0.0016321000000000, 0.0003828600000000, 0.0000167500000000 ] - [ 0.0002578200000000, 0.0003780000000000, 0.0000241900000000 ] - [ -0.0000056800000000, -0.0014302000000000, -0.0000070300000000 ] - [ -0.0001955300000000, -0.0007574600000000, -0.0003828800000000 ] - [ -0.0006978400000000, 0.0009964900000000, -0.0005548000000000 ] - [ -0.0002780800000000, 0.0006336100000000, -0.0002170000000000 ] - [ 0.0016764800000000, -0.0002096300000000, 0.0007755000000000 ] - [ 0.0010239500000000, 0.0000391100000000, -0.0004994900000000 ] - [ -0.0005384000000000, 0.0000067600000000, -0.0017672700000000 ] - [ -0.0005679600000000, -0.0000081800000000, 0.0003288000000000 ] - [ -0.0001803300000000, -0.0003299500000000, -0.0005313400000000 ] - [ -0.0002607100000000, -0.0001630900000000, -0.0002426700000000 ] - [ -0.0004574500000000, -0.0004274900000000, -0.0005431000000000 ] - [ -0.0004218200000000, -0.0000255800000000, 0.0001971000000000 ] - [ 0.0004639900000000, -0.0007615800000000, 0.0001892500000000 ] - [ 0.0000765100000000, -0.0003431200000000, -0.0002161000000000 ] - [ -0.0009943300000000, -0.0017311500000000, 0.0003777100000000 ] - [ 0.0000685500000000, -0.0001718800000000, 0.0003740300000000 ] - [ 0.0009604200000000, -0.0004161000000000, 0.0003931100000000 ] - [ 0.0001061800000000, 0.0000762300000000, 0.0003838500000000 ] - [ -0.0003961300000000, 0.0008583800000000, 0.0000035000000000 ] - [ -0.0002351300000000, 0.0004985300000000, 0.0000763000000000 ] - [ -0.0000626600000000, 0.0001040300000000, -0.0004912500000000 ] - [ -0.0002305800000000, -0.0002789600000000, 0.0000368000000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002965700000000, 0.0002509000000000, 0.0000925500000000 ] - [ -0.0002410800000000, 0.0000712200000000, -0.0002217800000000 ] - [ -0.0001173100000000, 0.0000804500000000, 0.0001741500000000 ] - [ -0.0000566700000000, 0.0000888200000000, -0.0002076600000000 ] - [ 0.0012537300000000, -0.0008070000000000, -0.0001033100000000 ] - [ -0.0001171600000000, 0.0001660100000000, -0.0004252100000000 ] - [ -0.0003920200000000, -0.0000409600000000, 0.0001307600000000 ] - [ 0.0000927900000000, -0.0001569000000000, -0.0002220400000000 ] - [ -0.0001022300000000, -0.0001047800000000, 0.0001681400000000 ] - [ -0.0000413300000000, -0.0001894400000000, -0.0001953400000000 ] - [ -0.0009860300000000, -0.0012730500000000, -0.0002432200000000 ] - [ 0.0003789300000000, 0.0002183700000000, -0.0005265900000000 ] - [ 0.0000521000000000, 0.0003210500000000, 0.0005235300000000 ] - [ -0.0001568700000000, 0.0002476400000000, -0.0003566100000000 ] - [ -0.0002336000000000, -0.0000882700000000, 0.0005975900000000 ] - [ -0.0001306000000000, -0.0000631900000000, -0.0003384800000000 ] - [ -0.0004590700000000, -0.0000228400000000, 0.0003469200000000 ] - [ 0.0001043000000000, 0.0001995600000000, -0.0003264700000000 ] - [ -0.0015191800000000, 0.0009597000000000, 0.0009656700000000 ] - [ 0.0005064600000000, -0.0001589600000000, -0.0006436600000000 ] - [ 0.0024269400000000, 0.0023441500000000, 0.0013160400000000 ] - [ -0.0000282700000000, -0.0001917100000000, -0.0008585200000000 ] - [ 0.0003063300000000, -0.0002789000000000, 0.0003077200000000 ] - [ -0.0002892800000000, -0.0001546300000000, -0.0003210300000000 ] - [ -0.0003025200000000, 0.0001107800000000, -0.0003017100000000 ] - [ -0.0003190200000000, 0.0001733200000000, -0.0004469800000000 ] - [ -0.0000452900000000, 0.0000230600000000, 0.0001885500000000 ] - [ -0.0000197000000000, -0.0004809500000000, 0.0001431100000000 ] - [ 0.0004289300000000, 0.0001950100000000, 0.0005003200000000 ] - [ 0.0004042500000000, -0.0000052600000000, 0.0004533300000000 ] - [ -0.0009693800000000, -0.0026644500000000, 0.0004113600000000 ] - [ 0.0000651700000000, 0.0008458300000000, 0.0000949200000000 ] - [ -0.0000335900000000, -0.0005231100000000, -0.0004055100000000 ] - [ 0.0000118200000000, -0.0003382500000000, -0.0004824300000000 ] - [ -0.0004202300000000, 0.0005740200000000, 0.0002328000000000 ] - [ -0.0000794700000000, -0.0001696600000000, 0.0001354000000000 ] - [ -0.0001778300000000, -0.0003640400000000, 0.0004807000000000 ] - [ -0.0000366400000000, -0.0003958400000000, 0.0004456100000000 ] - [ -0.0000829100000000, 0.0008959500000000, 0.0005170200000000 ] - [ -0.0000414000000000, 0.0002504100000000, -0.0003587600000000 ] - [ 0.0000510700000000, 0.0003521300000000, 0.0002288700000000 ] - [ 0.0003676700000000, -0.0001215800000000, 0.0001396200000000 ] - [ 0.0001096900000000, 0.0004138900000000, 0.0004877300000000 ] - [ -0.0006251700000000, 0.0002440900000000, 0.0004708500000000 ] - [ -0.0001006800000000, 0.0004338500000000, -0.0003859000000000 ] - [ -0.0001456600000000, 0.0004164500000000, -0.0005450900000000 ] - [ -0.0011998800000000, -0.0004885700000000, -0.0031561800000000 ] - [ 0.0003186100000000, 0.0004803900000000, -0.0008790700000000 ] - [ -0.0002488300000000, -0.0002952400000000, -0.0004340000000000 ] - [ -0.0002833700000000, -0.0003012700000000, -0.0005407900000000 ] - [ 0.0033547300000000, 0.0010285400000000, 0.0476882100000000 ] - [ 0.0002523700000000, -0.0001168200000000, -0.0004565300000000 ] - [ 0.0020300900000000, -0.0034597800000000, 0.0004442500000000 ] - [ -0.0004593500000000, 0.0009146700000000, 0.0000168700000000 ] - [ 0.0004279300000000, -0.0000686800000000, -0.0004296600000000 ] - [ 0.0003915900000000, -0.0001014400000000, -0.0005360500000000 ] - [ 0.0003036200000000, 0.0001430900000000, -0.0003104400000000 ] - [ 0.0003261000000000, 0.0001912200000000, -0.0004612200000000 ] - [ -0.0033008800000000, 0.0011283200000000, 0.0477276800000000 ] - [ -0.0002084500000000, -0.0001811400000000, -0.0004646700000000 ] - [ -0.0001339300000000, 0.0000284500000000, 0.0003490600000000 ] - [ -0.0001132600000000, -0.0000689900000000, 0.0004583200000000 ] - [ 0.0003049600000000, 0.0003225300000000, -0.0011471100000000 ] - [ 0.0002700100000000, 0.0001618300000000, 0.0006504800000000 ] - [ 0.0000652000000000, -0.0004765300000000, -0.0000481700000000 ] - [ 0.0002582200000000, -0.0002533100000000, -0.0000009900000000 ] - [ 0.0000305100000000, 0.0001276000000000, -0.0004395700000000 ] - [ 0.0000412800000000, 0.0004826700000000, -0.0002777900000000 ] - [ 0.0007394200000000, 0.0016761300000000, 0.0005289100000000 ] - [ -0.0003679900000000, -0.0005447500000000, 0.0002120700000000 ] - [ -0.0002927200000000, 0.0001644900000000, 0.0001536700000000 ] - [ -0.0003040200000000, 0.0001649200000000, 0.0004839600000000 ] - [ 0.0010930100000000, -0.0012660500000000, 0.0026997900000000 ] - [ 0.0000654700000000, 0.0001110900000000, 0.0007652900000000 ] - [ -0.0000185900000000, -0.0002878000000000, 0.0001723300000000 ] - [ 0.0000004900000000, -0.0003328400000000, 0.0004755900000000 ] - [ -0.0003822200000000, -0.0000574400000000, -0.0001194100000000 ] - [ -0.0003730300000000, -0.0000250800000000, 0.0001547800000000 ] - [ -0.0013368800000000, 0.0006280800000000, -0.0148132200000000 ] - [ 0.0002893700000000, 0.0002100600000000, 0.0006047300000000 ] - [ -0.0003456700000000, -0.0003919200000000, 0.0000051600000000 ] - [ -0.0003695200000000, -0.0003886800000000, 0.0002659700000000 ] - [ 0.0002948400000000, -0.0004203100000000, -0.0383492900000000 ] - [ 0.0000909100000000, 0.0003724600000000, 0.0007247100000000 ] - [ 0.0000698100000000, -0.0008886200000000, 0.0008913800000000 ] - [ 0.0000425600000000, -0.0003345000000000, 0.0004661300000000 ] - [ 0.0001004600000000, 0.0003873000000000, -0.0000640700000000 ] - [ 0.0002839700000000, 0.0002595400000000, -0.0000562800000000 ] - [ 0.0006451100000000, -0.0014593900000000, -0.0157736300000000 ] - [ 0.0002731000000000, -0.0002546800000000, 0.0005690900000000 ] - [ -0.0000105000000000, 0.0009089900000000, -0.0004651700000000 ] - [ 0.0000400800000000, -0.0005111200000000, -0.0001490000000000 ] - [ -0.0009585900000000, 0.0018140500000000, 0.0022131300000000 ] - [ 0.0003279100000000, -0.0004699700000000, 0.0004999700000000 ] - [ 0.0005601600000000, -0.0001798400000000, -0.0002715000000000 ] - [ 0.0005332600000000, -0.0001363200000000, 0.0003332900000000 ] - [ 0.0001655100000000, -0.0003620800000000, -0.0000171100000000 ] - [ 0.0002280900000000, -0.0003341800000000, 0.0001019900000000 ] - [ 0.0002242500000000, -0.0006557600000000, -0.0004027900000000 ] - [ -0.0000058400000000, -0.0001760300000000, -0.0002513100000000 ] - [ -0.0008008200000000, -0.0011756300000000, -0.0157719000000000 ] - [ -0.0003634800000000, -0.0000997800000000, 0.0005682700000000 ] - [ 0.0003843500000000, -0.0000914600000000, -0.0004310300000000 ] - [ 0.0001901100000000, 0.0005123900000000, -0.0003749800000000 ] - [ 0.0010222900000000, 0.0005790400000000, -0.0139193800000000 ] - [ -0.0003272300000000, 0.0001555100000000, 0.0005867000000000 ] - [ 0.0002651300000000, -0.0007647900000000, 0.0000014400000000 ] - [ 0.0002839400000000, 0.0001146200000000, 0.0000944300000000 ] - [ 0.0001371900000000, 0.0003183600000000, -0.0000145400000000 ] - [ 0.0001862200000000, 0.0003438400000000, 0.0001238700000000 ] - [ -0.0001749700000000, -0.0003402700000000, -0.0003092200000000 ] - [ -0.0003777600000000, 0.0000046100000000, -0.0000934800000000 ] - [ 0.0007255300000000, 0.0012819100000000, -0.0006273500000000 ] - [ -0.0003878300000000, -0.0001063800000000, -0.0001808100000000 ] - [ 0.0007191200000000, 0.0001821100000000, -0.0002115700000000 ] - [ 0.0003995300000000, 0.0000684000000000, 0.0000206800000000 ] - [ -0.0015204100000000, 0.0006949500000000, -0.0006822100000000 ] - [ 0.0002919000000000, -0.0005130900000000, -0.0001567400000000 ] - [ -0.0003769900000000, -0.0000919500000000, -0.0004025000000000 ] - [ -0.0003494300000000, 0.0002590400000000, -0.0003584900000000 ] - [ -0.0004065700000000, 0.0003785500000000, -0.0001447200000000 ] - [ -0.0003567600000000, 0.0004339400000000, -0.0000240700000000 ] - [ -0.0003353300000000, -0.0000163600000000, -0.0000339200000000 ] - [ -0.0004532700000000, 0.0000484400000000, 0.0000493200000000 ] - [ 0.0001473300000000, -0.0000337300000000, 0.0001548200000000 ] - [ 0.0001011800000000, -0.0000806300000000, 0.0004991800000000 ] - [ 0.0000074800000000, 0.0001446900000000, 0.0003361000000000 ] - [ 0.0000050100000000, 0.0001296000000000, 0.0004414900000000 ] - [ -0.0003150400000000, 0.0004972300000000, -0.0006809600000000 ] - [ -0.0001516900000000, 0.0005138100000000, 0.0003892400000000 ] - [ -0.0007005600000000, -0.0004615800000000, -0.0000226800000000 ] - [ 0.0002158000000000, -0.0005855800000000, 0.0001962700000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004315100000000, -0.0000164900000000, -0.0001036300000000 ] - [ 0.0001029400000000, 0.0001612900000000, 0.0002247700000000 ] - [ -0.0000308100000000, 0.0001844800000000, -0.0001806200000000 ] - [ -0.0000941400000000, 0.0001712300000000, 0.0002102200000000 ] - [ -0.0009652100000000, 0.0008099300000000, 0.0000968500000000 ] - [ 0.0004140500000000, -0.0001635000000000, 0.0004252200000000 ] - [ 0.0002415200000000, -0.0002177400000000, -0.0001419900000000 ] - [ -0.0002393400000000, -0.0001024000000000, 0.0002248400000000 ] - [ -0.0000355700000000, -0.0001270300000000, -0.0001760600000000 ] - [ -0.0000939400000000, -0.0000473200000000, 0.0001979100000000 ] - [ 0.0012643500000000, 0.0012727700000000, 0.0002326600000000 ] - [ -0.0001047300000000, -0.0002152100000000, 0.0005253400000000 ] - [ -0.0002680500000000, 0.0000704400000000, -0.0005119000000000 ] - [ -0.0000645900000000, 0.0001351700000000, 0.0003561600000000 ] - [ 0.0000273700000000, -0.0002473900000000, -0.0005808800000000 ] - [ -0.0000677600000000, -0.0002840400000000, 0.0003373600000000 ] - [ 0.0002707500000000, 0.0003780100000000, -0.0003219200000000 ] - [ -0.0003072800000000, 0.0001448700000000, 0.0003250600000000 ] - [ 0.0019389200000000, -0.0009689700000000, -0.0009459400000000 ] - [ -0.0000690800000000, 0.0001613100000000, 0.0006447500000000 ] - [ -0.0020111300000000, -0.0023569600000000, -0.0012903100000000 ] - [ 0.0004313200000000, 0.0001958500000000, 0.0008628200000000 ] - [ -0.0005410200000000, -0.0000977200000000, -0.0002830200000000 ] - [ 0.0000715500000000, -0.0002299700000000, 0.0003194500000000 ] - [ -0.0003206800000000, 0.0002331100000000, -0.0004739500000000 ] - [ -0.0003003200000000, 0.0001609200000000, -0.0003284600000000 ] - [ -0.0000270500000000, -0.0005574000000000, 0.0001618300000000 ] - [ -0.0000519100000000, -0.0000571200000000, 0.0002057800000000 ] - [ 0.0003967000000000, -0.0000094600000000, 0.0004512000000000 ] - [ 0.0004210100000000, 0.0001897800000000, 0.0004964100000000 ] - [ 0.0003255600000000, 0.0022810600000000, 0.0003693200000000 ] - [ -0.0007047700000000, -0.0012073500000000, 0.0006857400000000 ] - [ 0.0000513700000000, -0.0001859600000000, -0.0003710600000000 ] - [ 0.0000078100000000, -0.0003776100000000, -0.0002932100000000 ] - [ -0.0000091600000000, -0.0002293800000000, 0.0001177900000000 ] - [ -0.0003524400000000, 0.0005145000000000, 0.0002134600000000 ] - [ -0.0000581500000000, -0.0004393700000000, 0.0004712000000000 ] - [ -0.0002001400000000, -0.0004060900000000, 0.0005043800000000 ] - [ -0.0000037400000000, -0.0002912800000000, -0.0008620600000000 ] - [ -0.0000426300000000, 0.0002907600000000, 0.0000106900000000 ] - [ 0.0004577700000000, -0.0001464600000000, 0.0001213900000000 ] - [ 0.0001429800000000, 0.0003248600000000, 0.0002091400000000 ] - [ -0.0006670400000000, 0.0001919700000000, 0.0004643900000000 ] - [ 0.0000697000000000, 0.0003636500000000, 0.0004788900000000 ] - [ -0.0001535500000000, 0.0003681100000000, -0.0005645700000000 ] - [ -0.0001075000000000, 0.0003899100000000, -0.0004053000000000 ] - [ 0.0011995500000000, 0.0012029800000000, 0.0038612300000000 ] - [ -0.0003072400000000, 0.0002384500000000, 0.0016780800000000 ] - [ -0.0003196200000000, -0.0003196800000000, -0.0005163600000000 ] - [ -0.0002911000000000, -0.0003052300000000, -0.0004097100000000 ] - [ -0.0038122300000000, -0.0020179000000000, -0.0481090900000000 ] - [ 0.0002519400000000, -0.0000878200000000, 0.0001084400000000 ] - [ -0.0014046000000000, 0.0030414400000000, 0.0003366000000000 ] - [ 0.0010705400000000, -0.0013036400000000, 0.0007651600000000 ] - [ 0.0003804600000000, -0.0001190700000000, -0.0005199900000000 ] - [ 0.0004154200000000, -0.0000818200000000, -0.0004134800000000 ] - [ 0.0003171300000000, 0.0002421300000000, -0.0004661400000000 ] - [ 0.0002893400000000, 0.0001860300000000, -0.0003148100000000 ] - [ 0.0037495500000000, -0.0022136100000000, -0.0481441700000000 ] - [ -0.0002226300000000, -0.0001541400000000, 0.0001163100000000 ] - [ -0.0000898100000000, -0.0001566100000000, 0.0004073700000000 ] - [ -0.0001138000000000, -0.0000516200000000, 0.0002982600000000 ] - [ 0.0002657000000000, -0.0000120100000000, 0.0017242900000000 ] - [ 0.0002962900000000, 0.0001483300000000, -0.0000762200000000 ] - [ 0.0002774400000000, -0.0002131800000000, -0.0000217700000000 ] - [ 0.0000855000000000, -0.0004393800000000, -0.0000669000000000 ] - [ 0.0000501500000000, 0.0005677800000000, -0.0000301900000000 ] - [ 0.0000403700000000, 0.0002161900000000, -0.0001789100000000 ] - [ -0.0009481600000000, -0.0015317200000000, -0.0012606500000000 ] - [ 0.0001460700000000, 0.0006709900000000, -0.0009750300000000 ] - [ -0.0002850300000000, 0.0001612700000000, 0.0004209800000000 ] - [ -0.0002670700000000, 0.0001682100000000, 0.0000902400000000 ] - [ -0.0005039900000000, 0.0009106800000000, -0.0032190500000000 ] - [ 0.0005124000000000, -0.0004450700000000, -0.0013482300000000 ] - [ -0.0000015100000000, -0.0003728400000000, 0.0004004600000000 ] - [ -0.0000297900000000, -0.0003204500000000, 0.0000965300000000 ] - [ -0.0003862700000000, 0.0000197900000000, 0.0001897200000000 ] - [ -0.0003946900000000, -0.0000201500000000, -0.0000845600000000 ] - [ 0.0021130900000000, -0.0001800000000000, 0.0152530100000000 ] - [ 0.0002744500000000, 0.0002107800000000, -0.0001428400000000 ] - [ -0.0004049500000000, -0.0004022300000000, 0.0001451400000000 ] - [ -0.0003774400000000, -0.0004058900000000, -0.0001167800000000 ] - [ -0.0000228200000000, 0.0028945500000000, 0.0391115900000000 ] - [ 0.0000998000000000, 0.0003551400000000, 0.0000225600000000 ] - [ 0.0000125300000000, 0.0001595200000000, -0.0004330200000000 ] - [ 0.0000389600000000, -0.0003517300000000, -0.0000038900000000 ] - [ 0.0003104800000000, 0.0002701100000000, -0.0000065700000000 ] - [ 0.0001279300000000, 0.0003964700000000, -0.0000101800000000 ] - [ 0.0000109900000000, 0.0007945600000000, 0.0165233300000000 ] - [ 0.0002612500000000, -0.0002736000000000, 0.0001823300000000 ] - [ 0.0000200800000000, -0.0011485100000000, -0.0002942700000000 ] - [ -0.0000289400000000, 0.0002620400000000, -0.0006074600000000 ] - [ 0.0011382000000000, -0.0016448400000000, -0.0029088900000000 ] - [ -0.0001220500000000, 0.0006193400000000, -0.0012676600000000 ] - [ 0.0005100000000000, -0.0000672500000000, 0.0004224700000000 ] - [ 0.0005344600000000, -0.0001107900000000, -0.0001831900000000 ] - [ 0.0002657700000000, -0.0002879600000000, 0.0000863800000000 ] - [ 0.0002045600000000, -0.0003180800000000, -0.0000328600000000 ] - [ -0.0000485200000000, -0.0000763700000000, -0.0003449800000000 ] - [ 0.0001789600000000, -0.0005542400000000, -0.0004967600000000 ] - [ -0.0000455300000000, 0.0008340900000000, 0.0165242900000000 ] - [ -0.0003528400000000, -0.0001124800000000, 0.0001815600000000 ] - [ 0.0001533800000000, 0.0006118400000000, -0.0003184300000000 ] - [ 0.0003444700000000, 0.0000111800000000, -0.0003718300000000 ] - [ -0.0018425100000000, -0.0002665700000000, 0.0143619900000000 ] - [ -0.0003075600000000, 0.0001379600000000, -0.0001232700000000 ] - [ 0.0003039600000000, 0.0003532900000000, -0.0004646900000000 ] - [ 0.0002863400000000, -0.0005252400000000, -0.0005578500000000 ] - [ 0.0002242000000000, 0.0003765700000000, 0.0000842600000000 ] - [ 0.0001728500000000, 0.0003425300000000, -0.0000544600000000 ] - [ -0.0004590900000000, 0.0000634000000000, -0.0001589000000000 ] - [ -0.0002572100000000, -0.0002825000000000, -0.0003676700000000 ] - [ -0.0007258200000000, -0.0006209300000000, 0.0000464200000000 ] - [ 0.0003823800000000, 0.0007598100000000, -0.0003881100000000 ] - [ 0.0003457800000000, 0.0000717500000000, 0.0000548800000000 ] - [ 0.0006655200000000, 0.0001842300000000, -0.0001677200000000 ] - [ 0.0009510000000000, -0.0010349100000000, 0.0001007900000000 ] - [ -0.0008515100000000, 0.0001666100000000, -0.0004112200000000 ] - [ -0.0003502300000000, 0.0002851500000000, -0.0003488900000000 ] - [ -0.0003777200000000, -0.0000657400000000, -0.0003907000000000 ] - [ -0.0003410500000000, 0.0004201700000000, -0.0000086500000000 ] - [ -0.0003898700000000, 0.0003683700000000, -0.0001218200000000 ] - [ -0.0004465200000000, 0.0000672400000000, -0.0000357400000000 ] - [ -0.0003272500000000, -0.0000005500000000, -0.0001176400000000 ] - [ 0.0000631400000000, -0.0001157400000000, 0.0006019500000000 ] - [ 0.0001110500000000, -0.0000597300000000, 0.0002573300000000 ] - [ 0.0000095900000000, 0.0001024100000000, 0.0004204400000000 ] - [ 0.0000114200000000, 0.0001203900000000, 0.0003147700000000 ] - [ -0.0000081700000000, 0.0005525600000000, 0.0008304500000000 ] - [ -0.0001644800000000, 0.0005316800000000, -0.0002398900000000 ] - [ 0.0003800300000000, -0.0005798400000000, -0.0001317900000000 ] - [ -0.0005372700000000, -0.0004581500000000, -0.0003458200000000 ]