# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6c101cb0-9be5-4158-be65-030bafd43fe5/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 SrMgF4 / P2_1 (4) / materials id 561022](https://mdr.nims.go.jp/datasets/82f2b768-fdd0-410b-b8e4-4d748d55a2fd) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1" number: 4 Hall_symbol: "P 2yb"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.494525860000000, 0.000000000000000, -0.004846380000000 ] # a - [ 0.000000000000000, 16.882388800000001, 0.000000000000000 ] # b - [ -1.997818680000000, 0.000000000000000, 7.519471260000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.155179750000000, 0.997464300000000, 0.662479710000000 ] mass: 87.620000 - symbol: Sr # 2 coordinates: [ 0.855210510000000, 0.167554780000000, 0.841713200000000 ] mass: 87.620000 - symbol: Sr # 3 coordinates: [ 0.212671850000000, 0.016478690000000, 0.183235390000000 ] mass: 87.620000 - symbol: Sr # 4 coordinates: [ 0.834029400000000, 0.832533490000000, 0.835106950000000 ] mass: 87.620000 - symbol: Sr # 5 coordinates: [ 0.231521900000000, 0.352828310000000, 0.682390050000000 ] mass: 87.620000 - symbol: Sr # 6 coordinates: [ 0.768478100000000, 0.852828310000000, 0.317609950000000 ] mass: 87.620000 - symbol: Sr # 7 coordinates: [ 0.787328150000000, 0.516478690000000, 0.816764610000000 ] mass: 87.620000 - symbol: Sr # 8 coordinates: [ 0.165970600000000, 0.332533490000000, 0.164893050000000 ] mass: 87.620000 - symbol: Sr # 9 coordinates: [ 0.144789490000000, 0.667554780000000, 0.158286800000000 ] mass: 87.620000 - symbol: Sr # 10 coordinates: [ 0.181367650000000, 0.678661560000000, 0.667378330000000 ] mass: 87.620000 - symbol: Sr # 11 coordinates: [ 0.844820250000000, 0.497464300000000, 0.337520290000000 ] mass: 87.620000 - symbol: Sr # 12 coordinates: [ 0.818632350000000, 0.178661560000000, 0.332621670000000 ] mass: 87.620000 - symbol: Mg # 13 coordinates: [ 0.326977130000000, 0.855111840000000, 0.455715650000000 ] mass: 24.305000 - symbol: Mg # 14 coordinates: [ 0.656349480000000, 0.023413430000000, 0.541248440000000 ] mass: 24.305000 - symbol: Mg # 15 coordinates: [ 0.326795670000000, 0.857842090000000, 0.956366570000000 ] mass: 24.305000 - symbol: Mg # 16 coordinates: [ 0.673204330000000, 0.357842090000000, 0.043633430000000 ] mass: 24.305000 - symbol: Mg # 17 coordinates: [ 0.667778120000000, 0.691723700000000, 0.540347790000000 ] mass: 24.305000 - symbol: Mg # 18 coordinates: [ 0.339884870000000, 0.190896040000000, 0.956397700000000 ] mass: 24.305000 - symbol: Mg # 19 coordinates: [ 0.343650520000000, 0.523413430000000, 0.458751560000000 ] mass: 24.305000 - symbol: Mg # 20 coordinates: [ 0.660712500000000, 0.022768550000000, 0.037823130000000 ] mass: 24.305000 - symbol: Mg # 21 coordinates: [ 0.660115130000000, 0.690896040000000, 0.043602300000000 ] mass: 24.305000 - symbol: Mg # 22 coordinates: [ 0.673022870000000, 0.355111840000000, 0.544284350000000 ] mass: 24.305000 - symbol: Mg # 23 coordinates: [ 0.339287500000000, 0.522768550000000, 0.962176870000000 ] mass: 24.305000 - symbol: Mg # 24 coordinates: [ 0.332221880000000, 0.191723700000000, 0.459652210000000 ] mass: 24.305000 - symbol: F # 25 coordinates: [ 0.888789670000000, 0.087208290000000, 0.585451510000000 ] mass: 18.998403 - symbol: F # 26 coordinates: [ 0.571278670000000, 0.804525280000000, 0.552315810000000 ] mass: 18.998403 - symbol: F # 27 coordinates: [ 0.097808940000000, 0.922974160000000, 0.929859470000000 ] mass: 18.998403 - symbol: F # 28 coordinates: [ 0.829446830000000, 0.597985870000000, 0.099622620000000 ] mass: 18.998403 - symbol: F # 29 coordinates: [ 0.214387720000000, 0.423068810000000, 0.948115900000000 ] mass: 18.998403 - symbol: F # 30 coordinates: [ 0.383960220000000, 0.869698140000000, 0.219585320000000 ] mass: 18.998403 - symbol: F # 31 coordinates: [ 0.730092780000000, 0.688897040000000, 0.809285140000000 ] mass: 18.998403 - symbol: F # 32 coordinates: [ 0.663699290000000, 0.047179120000000, 0.790298450000000 ] mass: 18.998403 - symbol: F # 33 coordinates: [ 0.212541690000000, 0.752898580000000, 0.408696900000000 ] mass: 18.998403 - symbol: F # 34 coordinates: [ 0.111210330000000, 0.587208290000000, 0.414548490000000 ] mass: 18.998403 - symbol: F # 35 coordinates: [ 0.428721330000000, 0.304525280000000, 0.447684190000000 ] mass: 18.998403 - symbol: F # 36 coordinates: [ 0.099542000000000, 0.257440440000000, 0.428689090000000 ] mass: 18.998403 - symbol: F # 37 coordinates: [ 0.566857310000000, 0.132523300000000, 0.058026530000000 ] mass: 18.998403 - symbol: F # 38 coordinates: [ 0.417971540000000, 0.971488930000000, 0.952866980000000 ] mass: 18.998403 - symbol: F # 39 coordinates: [ 0.547749960000000, 0.128184790000000, 0.455760810000000 ] mass: 18.998403 - symbol: F # 40 coordinates: [ 0.269907220000000, 0.188897040000000, 0.190714860000000 ] mass: 18.998403 - symbol: F # 41 coordinates: [ 0.886439680000000, 0.758658320000000, 0.126901250000000 ] mass: 18.998403 - symbol: F # 42 coordinates: [ 0.615671540000000, 0.706532760000000, 0.280619590000000 ] mass: 18.998403 - symbol: F # 43 coordinates: [ 0.548894230000000, 0.796607080000000, 0.971913640000000 ] mass: 18.998403 - symbol: F # 44 coordinates: [ 0.787458310000000, 0.252898580000000, 0.591303100000000 ] mass: 18.998403 - symbol: F # 45 coordinates: [ 0.159518070000000, 0.763238140000000, 0.928312220000000 ] mass: 18.998403 - symbol: F # 46 coordinates: [ 0.095140310000000, 0.582039270000000, 0.884628920000000 ] mass: 18.998403 - symbol: F # 47 coordinates: [ 0.650961760000000, 0.002606410000000, 0.288457980000000 ] mass: 18.998403 - symbol: F # 48 coordinates: [ 0.902191060000000, 0.422974160000000, 0.070140530000000 ] mass: 18.998403 - symbol: F # 49 coordinates: [ 0.349038240000000, 0.502606410000000, 0.711542020000000 ] mass: 18.998403 - symbol: F # 50 coordinates: [ 0.616039780000000, 0.369698140000000, 0.780414680000000 ] mass: 18.998403 - symbol: F # 51 coordinates: [ 0.451105770000000, 0.296607080000000, 0.028086360000000 ] mass: 18.998403 - symbol: F # 52 coordinates: [ 0.840481930000000, 0.263238140000000, 0.071687780000000 ] mass: 18.998403 - symbol: F # 53 coordinates: [ 0.900458000000000, 0.757440440000000, 0.571310910000000 ] mass: 18.998403 - symbol: F # 54 coordinates: [ 0.578487080000000, 0.466842780000000, 0.493369680000000 ] mass: 18.998403 - symbol: F # 55 coordinates: [ 0.785612280000000, 0.923068810000000, 0.051884100000000 ] mass: 18.998403 - symbol: F # 56 coordinates: [ 0.821601180000000, 0.596155870000000, 0.559974650000000 ] mass: 18.998403 - symbol: F # 57 coordinates: [ 0.384328460000000, 0.206532760000000, 0.719380410000000 ] mass: 18.998403 - symbol: F # 58 coordinates: [ 0.829203150000000, 0.931553690000000, 0.598629230000000 ] mass: 18.998403 - symbol: F # 59 coordinates: [ 0.272522160000000, 0.856777040000000, 0.692903850000000 ] mass: 18.998403 - symbol: F # 60 coordinates: [ 0.727477840000000, 0.356777040000000, 0.307096150000000 ] mass: 18.998403 - symbol: F # 61 coordinates: [ 0.170553170000000, 0.097985870000000, 0.900377380000000 ] mass: 18.998403 - symbol: F # 62 coordinates: [ 0.911667790000000, 0.417969150000000, 0.630092840000000 ] mass: 18.998403 - symbol: F # 63 coordinates: [ 0.433142690000000, 0.632523300000000, 0.941973470000000 ] mass: 18.998403 - symbol: F # 64 coordinates: [ 0.904859690000000, 0.082039270000000, 0.115371080000000 ] mass: 18.998403 - symbol: F # 65 coordinates: [ 0.178398820000000, 0.096155870000000, 0.440025350000000 ] mass: 18.998403 - symbol: F # 66 coordinates: [ 0.170796850000000, 0.431553690000000, 0.401370770000000 ] mass: 18.998403 - symbol: F # 67 coordinates: [ 0.113560320000000, 0.258658320000000, 0.873098750000000 ] mass: 18.998403 - symbol: F # 68 coordinates: [ 0.452250040000000, 0.628184790000000, 0.544239190000000 ] mass: 18.998403 - symbol: F # 69 coordinates: [ 0.421512920000000, 0.966842780000000, 0.506630320000000 ] mass: 18.998403 - symbol: F # 70 coordinates: [ 0.336300710000000, 0.547179120000000, 0.209701550000000 ] mass: 18.998403 - symbol: F # 71 coordinates: [ 0.088332210000000, 0.917969150000000, 0.369907160000000 ] mass: 18.998403 - symbol: F # 72 coordinates: [ 0.582028460000000, 0.471488930000000, 0.047133020000000 ] mass: 18.998403 reciprocal_lattice: # without 2pi - [ 0.133453650796073, 0.000000000000000, 0.035456774453393 ] # a* - [ 0.000000000000000, 0.059233323663296, 0.000000000000000 ] # b* - [ 0.000086012311475, 0.000000000000000, 0.133010926223365 ] # c*unit_cell: lattice: - [ 7.494525860000000, 0.000000000000000, -0.004846380000000 ] # a - [ 0.000000000000000, 16.882388800000001, 0.000000000000000 ] # b - [ -1.997818680000000, 0.000000000000000, 7.519471260000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.155179750000000, 0.997464300000000, 0.662479710000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.855210510000000, 0.167554780000000, 0.841713200000000 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.212671850000000, 0.016478690000000, 0.183235390000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 4 coordinates: [ 0.834029400000000, 0.832533490000000, 0.835106950000000 ] mass: 87.620000 reduced_to: 4 - symbol: Sr # 5 coordinates: [ 0.231521900000000, 0.352828310000000, 0.682390050000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 6 coordinates: [ 0.768478100000000, 0.852828310000000, 0.317609950000000 ] mass: 87.620000 reduced_to: 6 - symbol: Sr # 7 coordinates: [ 0.787328150000000, 0.516478690000000, 0.816764610000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.165970600000000, 0.332533490000000, 0.164893050000000 ] mass: 87.620000 reduced_to: 8 - symbol: Sr # 9 coordinates: [ 0.144789490000000, 0.667554780000000, 0.158286800000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 10 coordinates: [ 0.181367650000000, 0.678661560000000, 0.667378330000000 ] mass: 87.620000 reduced_to: 10 - symbol: Sr # 11 coordinates: [ 0.844820250000000, 0.497464300000000, 0.337520290000000 ] mass: 87.620000 reduced_to: 11 - symbol: Sr # 12 coordinates: [ 0.818632350000000, 0.178661560000000, 0.332621670000000 ] mass: 87.620000 reduced_to: 12 - symbol: Mg # 13 coordinates: [ 0.326977130000000, 0.855111840000000, 0.455715650000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 14 coordinates: [ 0.656349480000000, 0.023413430000000, 0.541248440000000 ] mass: 24.305000 reduced_to: 14 - symbol: Mg # 15 coordinates: [ 0.326795670000000, 0.857842090000000, 0.956366570000000 ] mass: 24.305000 reduced_to: 15 - symbol: Mg # 16 coordinates: [ 0.673204330000000, 0.357842090000000, 0.043633430000000 ] mass: 24.305000 reduced_to: 16 - symbol: Mg # 17 coordinates: [ 0.667778120000000, 0.691723700000000, 0.540347790000000 ] mass: 24.305000 reduced_to: 17 - symbol: Mg # 18 coordinates: [ 0.339884870000000, 0.190896040000000, 0.956397700000000 ] mass: 24.305000 reduced_to: 18 - symbol: Mg # 19 coordinates: [ 0.343650520000000, 0.523413430000000, 0.458751560000000 ] mass: 24.305000 reduced_to: 19 - symbol: Mg # 20 coordinates: [ 0.660712500000000, 0.022768550000000, 0.037823130000000 ] mass: 24.305000 reduced_to: 20 - symbol: Mg # 21 coordinates: [ 0.660115130000000, 0.690896040000000, 0.043602300000000 ] mass: 24.305000 reduced_to: 21 - symbol: Mg # 22 coordinates: [ 0.673022870000000, 0.355111840000000, 0.544284350000000 ] mass: 24.305000 reduced_to: 22 - symbol: Mg # 23 coordinates: [ 0.339287500000000, 0.522768550000000, 0.962176870000000 ] mass: 24.305000 reduced_to: 23 - symbol: Mg # 24 coordinates: [ 0.332221880000000, 0.191723700000000, 0.459652210000000 ] mass: 24.305000 reduced_to: 24 - symbol: F # 25 coordinates: [ 0.888789670000000, 0.087208290000000, 0.585451510000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 26 coordinates: [ 0.571278670000000, 0.804525280000000, 0.552315810000000 ] mass: 18.998403 reduced_to: 26 - symbol: F # 27 coordinates: [ 0.097808940000000, 0.922974160000000, 0.929859470000000 ] mass: 18.998403 reduced_to: 27 - symbol: F # 28 coordinates: [ 0.829446830000000, 0.597985870000000, 0.099622620000000 ] mass: 18.998403 reduced_to: 28 - symbol: F # 29 coordinates: [ 0.214387720000000, 0.423068810000000, 0.948115900000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 30 coordinates: [ 0.383960220000000, 0.869698140000000, 0.219585320000000 ] mass: 18.998403 reduced_to: 30 - symbol: F # 31 coordinates: [ 0.730092780000000, 0.688897040000000, 0.809285140000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 32 coordinates: [ 0.663699290000000, 0.047179120000000, 0.790298450000000 ] mass: 18.998403 reduced_to: 32 - symbol: F # 33 coordinates: [ 0.212541690000000, 0.752898580000000, 0.408696900000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 34 coordinates: [ 0.111210330000000, 0.587208290000000, 0.414548490000000 ] mass: 18.998403 reduced_to: 34 - symbol: F # 35 coordinates: [ 0.428721330000000, 0.304525280000000, 0.447684190000000 ] mass: 18.998403 reduced_to: 35 - symbol: F # 36 coordinates: [ 0.099542000000000, 0.257440440000000, 0.428689090000000 ] mass: 18.998403 reduced_to: 36 - symbol: F # 37 coordinates: [ 0.566857310000000, 0.132523300000000, 0.058026530000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 38 coordinates: [ 0.417971540000000, 0.971488930000000, 0.952866980000000 ] mass: 18.998403 reduced_to: 38 - symbol: F # 39 coordinates: [ 0.547749960000000, 0.128184790000000, 0.455760810000000 ] mass: 18.998403 reduced_to: 39 - symbol: F # 40 coordinates: [ 0.269907220000000, 0.188897040000000, 0.190714860000000 ] mass: 18.998403 reduced_to: 40 - symbol: F # 41 coordinates: [ 0.886439680000000, 0.758658320000000, 0.126901250000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 42 coordinates: [ 0.615671540000000, 0.706532760000000, 0.280619590000000 ] mass: 18.998403 reduced_to: 42 - symbol: F # 43 coordinates: [ 0.548894230000000, 0.796607080000000, 0.971913640000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 44 coordinates: [ 0.787458310000000, 0.252898580000000, 0.591303100000000 ] mass: 18.998403 reduced_to: 44 - symbol: F # 45 coordinates: [ 0.159518070000000, 0.763238140000000, 0.928312220000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 46 coordinates: [ 0.095140310000000, 0.582039270000000, 0.884628920000000 ] mass: 18.998403 reduced_to: 46 - symbol: F # 47 coordinates: [ 0.650961760000000, 0.002606410000000, 0.288457980000000 ] mass: 18.998403 reduced_to: 47 - symbol: F # 48 coordinates: [ 0.902191060000000, 0.422974160000000, 0.070140530000000 ] mass: 18.998403 reduced_to: 48 - symbol: F # 49 coordinates: [ 0.349038240000000, 0.502606410000000, 0.711542020000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 50 coordinates: [ 0.616039780000000, 0.369698140000000, 0.780414680000000 ] mass: 18.998403 reduced_to: 50 - symbol: F # 51 coordinates: [ 0.451105770000000, 0.296607080000000, 0.028086360000000 ] mass: 18.998403 reduced_to: 51 - symbol: F # 52 coordinates: [ 0.840481930000000, 0.263238140000000, 0.071687780000000 ] mass: 18.998403 reduced_to: 52 - symbol: F # 53 coordinates: [ 0.900458000000000, 0.757440440000000, 0.571310910000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 54 coordinates: [ 0.578487080000000, 0.466842780000000, 0.493369680000000 ] mass: 18.998403 reduced_to: 54 - symbol: F # 55 coordinates: [ 0.785612280000000, 0.923068810000000, 0.051884100000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 56 coordinates: [ 0.821601180000000, 0.596155870000000, 0.559974650000000 ] mass: 18.998403 reduced_to: 56 - symbol: F # 57 coordinates: [ 0.384328460000000, 0.206532760000000, 0.719380410000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 58 coordinates: [ 0.829203150000000, 0.931553690000000, 0.598629230000000 ] mass: 18.998403 reduced_to: 58 - symbol: F # 59 coordinates: [ 0.272522160000000, 0.856777040000000, 0.692903850000000 ] mass: 18.998403 reduced_to: 59 - symbol: F # 60 coordinates: [ 0.727477840000000, 0.356777040000000, 0.307096150000000 ] mass: 18.998403 reduced_to: 60 - symbol: F # 61 coordinates: [ 0.170553170000000, 0.097985870000000, 0.900377380000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 62 coordinates: [ 0.911667790000000, 0.417969150000000, 0.630092840000000 ] mass: 18.998403 reduced_to: 62 - symbol: F # 63 coordinates: [ 0.433142690000000, 0.632523300000000, 0.941973470000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 64 coordinates: [ 0.904859690000000, 0.082039270000000, 0.115371080000000 ] mass: 18.998403 reduced_to: 64 - symbol: F # 65 coordinates: [ 0.178398820000000, 0.096155870000000, 0.440025350000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 66 coordinates: [ 0.170796850000000, 0.431553690000000, 0.401370770000000 ] mass: 18.998403 reduced_to: 66 - symbol: F # 67 coordinates: [ 0.113560320000000, 0.258658320000000, 0.873098750000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 68 coordinates: [ 0.452250040000000, 0.628184790000000, 0.544239190000000 ] mass: 18.998403 reduced_to: 68 - symbol: F # 69 coordinates: [ 0.421512920000000, 0.966842780000000, 0.506630320000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 70 coordinates: [ 0.336300710000000, 0.547179120000000, 0.209701550000000 ] mass: 18.998403 reduced_to: 70 - symbol: F # 71 coordinates: [ 0.088332210000000, 0.917969150000000, 0.369907160000000 ] mass: 18.998403 reduced_to: 71 - symbol: F # 72 coordinates: [ 0.582028460000000, 0.471488930000000, 0.047133020000000 ] mass: 18.998403 reduced_to: 72supercell: lattice: - [ 14.989051720000001, 0.000000000000000, -0.009692760000000 ] # a - [ 0.000000000000000, 16.882388800000001, 0.000000000000000 ] # b - [ -1.997818680000000, 0.000000000000000, 7.519471260000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.077589875000000, 0.997464300000000, 0.662479710000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.577589875000000, 0.997464300000000, 0.662479710000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 3 coordinates: [ 0.427605255000000, 0.167554780000000, 0.841713200000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 4 coordinates: [ 0.927605255000000, 0.167554780000000, 0.841713200000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 5 coordinates: [ 0.106335925000000, 0.016478690000000, 0.183235390000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 6 coordinates: [ 0.606335925000000, 0.016478690000000, 0.183235390000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 7 coordinates: [ 0.417014700000000, 0.832533490000000, 0.835106950000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.917014700000000, 0.832533490000000, 0.835106950000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 9 coordinates: [ 0.115760950000000, 0.352828310000000, 0.682390050000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 10 coordinates: [ 0.615760950000000, 0.352828310000000, 0.682390050000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 11 coordinates: [ 0.384239050000000, 0.852828310000000, 0.317609950000000 ] mass: 87.620000 reduced_to: 11 - symbol: Sr # 12 coordinates: [ 0.884239050000000, 0.852828310000000, 0.317609950000000 ] mass: 87.620000 reduced_to: 11 - symbol: Sr # 13 coordinates: [ 0.393664075000000, 0.516478690000000, 0.816764610000000 ] mass: 87.620000 reduced_to: 13 - symbol: Sr # 14 coordinates: [ 0.893664075000000, 0.516478690000000, 0.816764610000000 ] mass: 87.620000 reduced_to: 13 - symbol: Sr # 15 coordinates: [ 0.082985300000000, 0.332533490000000, 0.164893050000000 ] mass: 87.620000 reduced_to: 15 - symbol: Sr # 16 coordinates: [ 0.582985300000000, 0.332533490000000, 0.164893050000000 ] mass: 87.620000 reduced_to: 15 - symbol: Sr # 17 coordinates: [ 0.072394745000000, 0.667554780000000, 0.158286800000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 18 coordinates: [ 0.572394745000000, 0.667554780000000, 0.158286800000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 19 coordinates: [ 0.090683825000000, 0.678661560000000, 0.667378330000000 ] mass: 87.620000 reduced_to: 19 - symbol: Sr # 20 coordinates: [ 0.590683825000000, 0.678661560000000, 0.667378330000000 ] mass: 87.620000 reduced_to: 19 - symbol: Sr # 21 coordinates: [ 0.422410125000000, 0.497464300000000, 0.337520290000000 ] mass: 87.620000 reduced_to: 21 - symbol: Sr # 22 coordinates: [ 0.922410125000000, 0.497464300000000, 0.337520290000000 ] mass: 87.620000 reduced_to: 21 - symbol: Sr # 23 coordinates: [ 0.409316175000000, 0.178661560000000, 0.332621670000000 ] mass: 87.620000 reduced_to: 23 - symbol: Sr # 24 coordinates: [ 0.909316175000000, 0.178661560000000, 0.332621670000000 ] mass: 87.620000 reduced_to: 23 - symbol: Mg # 25 coordinates: [ 0.163488565000000, 0.855111840000000, 0.455715650000000 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 26 coordinates: [ 0.663488565000000, 0.855111840000000, 0.455715650000000 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 27 coordinates: [ 0.328174740000000, 0.023413430000000, 0.541248440000000 ] mass: 24.305000 reduced_to: 27 - symbol: Mg # 28 coordinates: [ 0.828174740000000, 0.023413430000000, 0.541248440000000 ] mass: 24.305000 reduced_to: 27 - symbol: Mg # 29 coordinates: [ 0.163397835000000, 0.857842090000000, 0.956366570000000 ] mass: 24.305000 reduced_to: 29 - symbol: Mg # 30 coordinates: [ 0.663397835000000, 0.857842090000000, 0.956366570000000 ] mass: 24.305000 reduced_to: 29 - symbol: Mg # 31 coordinates: [ 0.336602165000000, 0.357842090000000, 0.043633430000000 ] mass: 24.305000 reduced_to: 31 - symbol: Mg # 32 coordinates: [ 0.836602165000000, 0.357842090000000, 0.043633430000000 ] mass: 24.305000 reduced_to: 31 - symbol: Mg # 33 coordinates: [ 0.333889060000000, 0.691723700000000, 0.540347790000000 ] mass: 24.305000 reduced_to: 33 - symbol: Mg # 34 coordinates: [ 0.833889060000000, 0.691723700000000, 0.540347790000000 ] mass: 24.305000 reduced_to: 33 - symbol: Mg # 35 coordinates: [ 0.169942435000000, 0.190896040000000, 0.956397700000000 ] mass: 24.305000 reduced_to: 35 - symbol: Mg # 36 coordinates: [ 0.669942435000000, 0.190896040000000, 0.956397700000000 ] mass: 24.305000 reduced_to: 35 - symbol: Mg # 37 coordinates: [ 0.171825260000000, 0.523413430000000, 0.458751560000000 ] mass: 24.305000 reduced_to: 37 - symbol: Mg # 38 coordinates: [ 0.671825260000000, 0.523413430000000, 0.458751560000000 ] mass: 24.305000 reduced_to: 37 - symbol: Mg # 39 coordinates: [ 0.330356250000000, 0.022768550000000, 0.037823130000000 ] mass: 24.305000 reduced_to: 39 - symbol: Mg # 40 coordinates: [ 0.830356250000000, 0.022768550000000, 0.037823130000000 ] mass: 24.305000 reduced_to: 39 - symbol: Mg # 41 coordinates: [ 0.330057565000000, 0.690896040000000, 0.043602300000000 ] mass: 24.305000 reduced_to: 41 - symbol: Mg # 42 coordinates: [ 0.830057565000000, 0.690896040000000, 0.043602300000000 ] mass: 24.305000 reduced_to: 41 - symbol: Mg # 43 coordinates: [ 0.336511435000000, 0.355111840000000, 0.544284350000000 ] mass: 24.305000 reduced_to: 43 - symbol: Mg # 44 coordinates: [ 0.836511435000000, 0.355111840000000, 0.544284350000000 ] mass: 24.305000 reduced_to: 43 - symbol: Mg # 45 coordinates: [ 0.169643750000000, 0.522768550000000, 0.962176870000000 ] mass: 24.305000 reduced_to: 45 - symbol: Mg # 46 coordinates: [ 0.669643750000000, 0.522768550000000, 0.962176870000000 ] mass: 24.305000 reduced_to: 45 - symbol: Mg # 47 coordinates: [ 0.166110940000000, 0.191723700000000, 0.459652210000000 ] mass: 24.305000 reduced_to: 47 - symbol: Mg # 48 coordinates: [ 0.666110940000000, 0.191723700000000, 0.459652210000000 ] mass: 24.305000 reduced_to: 47 - symbol: F # 49 coordinates: [ 0.444394835000000, 0.087208290000000, 0.585451510000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 50 coordinates: [ 0.944394835000000, 0.087208290000000, 0.585451510000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 51 coordinates: [ 0.285639335000000, 0.804525280000000, 0.552315810000000 ] mass: 18.998403 reduced_to: 51 - symbol: F # 52 coordinates: [ 0.785639335000000, 0.804525280000000, 0.552315810000000 ] mass: 18.998403 reduced_to: 51 - symbol: F # 53 coordinates: [ 0.048904470000000, 0.922974160000000, 0.929859470000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 54 coordinates: [ 0.548904470000000, 0.922974160000000, 0.929859470000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 55 coordinates: [ 0.414723415000000, 0.597985870000000, 0.099622620000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 56 coordinates: [ 0.914723415000000, 0.597985870000000, 0.099622620000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 57 coordinates: [ 0.107193860000000, 0.423068810000000, 0.948115900000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 58 coordinates: [ 0.607193860000000, 0.423068810000000, 0.948115900000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 59 coordinates: [ 0.191980110000000, 0.869698140000000, 0.219585320000000 ] mass: 18.998403 reduced_to: 59 - symbol: F # 60 coordinates: [ 0.691980110000000, 0.869698140000000, 0.219585320000000 ] mass: 18.998403 reduced_to: 59 - symbol: F # 61 coordinates: [ 0.365046390000000, 0.688897040000000, 0.809285140000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 62 coordinates: [ 0.865046390000000, 0.688897040000000, 0.809285140000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 63 coordinates: [ 0.331849645000000, 0.047179120000000, 0.790298450000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 64 coordinates: [ 0.831849645000000, 0.047179120000000, 0.790298450000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 65 coordinates: [ 0.106270845000000, 0.752898580000000, 0.408696900000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 66 coordinates: [ 0.606270845000000, 0.752898580000000, 0.408696900000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 67 coordinates: [ 0.055605165000000, 0.587208290000000, 0.414548490000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 68 coordinates: [ 0.555605165000000, 0.587208290000000, 0.414548490000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 69 coordinates: [ 0.214360665000000, 0.304525280000000, 0.447684190000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 70 coordinates: [ 0.714360665000000, 0.304525280000000, 0.447684190000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 71 coordinates: [ 0.049771000000000, 0.257440440000000, 0.428689090000000 ] mass: 18.998403 reduced_to: 71 - symbol: F # 72 coordinates: [ 0.549771000000000, 0.257440440000000, 0.428689090000000 ] mass: 18.998403 reduced_to: 71 - symbol: F # 73 coordinates: [ 0.283428655000000, 0.132523300000000, 0.058026530000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 74 coordinates: [ 0.783428655000000, 0.132523300000000, 0.058026530000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 75 coordinates: [ 0.208985770000000, 0.971488930000000, 0.952866980000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 76 coordinates: [ 0.708985770000000, 0.971488930000000, 0.952866980000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 77 coordinates: [ 0.273874980000000, 0.128184790000000, 0.455760810000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 78 coordinates: [ 0.773874980000000, 0.128184790000000, 0.455760810000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 79 coordinates: [ 0.134953610000000, 0.188897040000000, 0.190714860000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 80 coordinates: [ 0.634953610000000, 0.188897040000000, 0.190714860000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 81 coordinates: [ 0.443219840000000, 0.758658320000000, 0.126901250000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 82 coordinates: [ 0.943219840000000, 0.758658320000000, 0.126901250000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 83 coordinates: [ 0.307835770000000, 0.706532760000000, 0.280619590000000 ] mass: 18.998403 reduced_to: 83 - symbol: F # 84 coordinates: [ 0.807835770000000, 0.706532760000000, 0.280619590000000 ] mass: 18.998403 reduced_to: 83 - symbol: F # 85 coordinates: [ 0.274447115000000, 0.796607080000000, 0.971913640000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 86 coordinates: [ 0.774447115000000, 0.796607080000000, 0.971913640000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 87 coordinates: [ 0.393729155000000, 0.252898580000000, 0.591303100000000 ] mass: 18.998403 reduced_to: 87 - symbol: F # 88 coordinates: [ 0.893729155000000, 0.252898580000000, 0.591303100000000 ] mass: 18.998403 reduced_to: 87 - symbol: F # 89 coordinates: [ 0.079759035000000, 0.763238140000000, 0.928312220000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 90 coordinates: [ 0.579759035000000, 0.763238140000000, 0.928312220000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 91 coordinates: [ 0.047570155000000, 0.582039270000000, 0.884628920000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 92 coordinates: [ 0.547570155000000, 0.582039270000000, 0.884628920000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 93 coordinates: [ 0.325480880000000, 0.002606410000000, 0.288457980000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 94 coordinates: [ 0.825480880000000, 0.002606410000000, 0.288457980000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 95 coordinates: [ 0.451095530000000, 0.422974160000000, 0.070140530000000 ] mass: 18.998403 reduced_to: 95 - symbol: F # 96 coordinates: [ 0.951095530000000, 0.422974160000000, 0.070140530000000 ] mass: 18.998403 reduced_to: 95 - symbol: F # 97 coordinates: [ 0.174519120000000, 0.502606410000000, 0.711542020000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 98 coordinates: [ 0.674519120000000, 0.502606410000000, 0.711542020000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 99 coordinates: [ 0.308019890000000, 0.369698140000000, 0.780414680000000 ] mass: 18.998403 reduced_to: 99 - symbol: F # 100 coordinates: [ 0.808019890000000, 0.369698140000000, 0.780414680000000 ] mass: 18.998403 reduced_to: 99 - symbol: F # 101 coordinates: [ 0.225552885000000, 0.296607080000000, 0.028086360000000 ] mass: 18.998403 reduced_to: 101 - symbol: F # 102 coordinates: [ 0.725552885000000, 0.296607080000000, 0.028086360000000 ] mass: 18.998403 reduced_to: 101 - symbol: F # 103 coordinates: [ 0.420240965000000, 0.263238140000000, 0.071687780000000 ] mass: 18.998403 reduced_to: 103 - symbol: F # 104 coordinates: [ 0.920240965000000, 0.263238140000000, 0.071687780000000 ] mass: 18.998403 reduced_to: 103 - symbol: F # 105 coordinates: [ 0.450229000000000, 0.757440440000000, 0.571310910000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 106 coordinates: [ 0.950229000000000, 0.757440440000000, 0.571310910000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 107 coordinates: [ 0.289243540000000, 0.466842780000000, 0.493369680000000 ] mass: 18.998403 reduced_to: 107 - symbol: F # 108 coordinates: [ 0.789243540000000, 0.466842780000000, 0.493369680000000 ] mass: 18.998403 reduced_to: 107 - symbol: F # 109 coordinates: [ 0.392806140000000, 0.923068810000000, 0.051884100000000 ] mass: 18.998403 reduced_to: 109 - symbol: F # 110 coordinates: [ 0.892806140000000, 0.923068810000000, 0.051884100000000 ] mass: 18.998403 reduced_to: 109 - symbol: F # 111 coordinates: [ 0.410800590000000, 0.596155870000000, 0.559974650000000 ] mass: 18.998403 reduced_to: 111 - symbol: F # 112 coordinates: [ 0.910800590000000, 0.596155870000000, 0.559974650000000 ] mass: 18.998403 reduced_to: 111 - symbol: F # 113 coordinates: [ 0.192164230000000, 0.206532760000000, 0.719380410000000 ] mass: 18.998403 reduced_to: 113 - symbol: F # 114 coordinates: [ 0.692164230000000, 0.206532760000000, 0.719380410000000 ] mass: 18.998403 reduced_to: 113 - symbol: F # 115 coordinates: [ 0.414601575000000, 0.931553690000000, 0.598629230000000 ] mass: 18.998403 reduced_to: 115 - symbol: F # 116 coordinates: [ 0.914601575000000, 0.931553690000000, 0.598629230000000 ] mass: 18.998403 reduced_to: 115 - symbol: F # 117 coordinates: [ 0.136261080000000, 0.856777040000000, 0.692903850000000 ] mass: 18.998403 reduced_to: 117 - symbol: F # 118 coordinates: [ 0.636261080000000, 0.856777040000000, 0.692903850000000 ] mass: 18.998403 reduced_to: 117 - symbol: F # 119 coordinates: [ 0.363738920000000, 0.356777040000000, 0.307096150000000 ] mass: 18.998403 reduced_to: 119 - symbol: F # 120 coordinates: [ 0.863738920000000, 0.356777040000000, 0.307096150000000 ] mass: 18.998403 reduced_to: 119 - symbol: F # 121 coordinates: [ 0.085276585000000, 0.097985870000000, 0.900377380000000 ] mass: 18.998403 reduced_to: 121 - symbol: F # 122 coordinates: [ 0.585276585000000, 0.097985870000000, 0.900377380000000 ] mass: 18.998403 reduced_to: 121 - symbol: F # 123 coordinates: [ 0.455833895000000, 0.417969150000000, 0.630092840000000 ] mass: 18.998403 reduced_to: 123 - symbol: F # 124 coordinates: [ 0.955833895000000, 0.417969150000000, 0.630092840000000 ] mass: 18.998403 reduced_to: 123 - symbol: F # 125 coordinates: [ 0.216571345000000, 0.632523300000000, 0.941973470000000 ] mass: 18.998403 reduced_to: 125 - symbol: F # 126 coordinates: [ 0.716571345000000, 0.632523300000000, 0.941973470000000 ] mass: 18.998403 reduced_to: 125 - symbol: F # 127 coordinates: [ 0.452429845000000, 0.082039270000000, 0.115371080000000 ] mass: 18.998403 reduced_to: 127 - symbol: F # 128 coordinates: [ 0.952429845000000, 0.082039270000000, 0.115371080000000 ] mass: 18.998403 reduced_to: 127 - symbol: F # 129 coordinates: [ 0.089199410000000, 0.096155870000000, 0.440025350000000 ] mass: 18.998403 reduced_to: 129 - symbol: F # 130 coordinates: [ 0.589199410000000, 0.096155870000000, 0.440025350000000 ] mass: 18.998403 reduced_to: 129 - symbol: F # 131 coordinates: [ 0.085398425000000, 0.431553690000000, 0.401370770000000 ] mass: 18.998403 reduced_to: 131 - symbol: F # 132 coordinates: [ 0.585398425000000, 0.431553690000000, 0.401370770000000 ] mass: 18.998403 reduced_to: 131 - symbol: F # 133 coordinates: [ 0.056780160000000, 0.258658320000000, 0.873098750000000 ] mass: 18.998403 reduced_to: 133 - symbol: F # 134 coordinates: [ 0.556780160000000, 0.258658320000000, 0.873098750000000 ] mass: 18.998403 reduced_to: 133 - symbol: F # 135 coordinates: [ 0.226125020000000, 0.628184790000000, 0.544239190000000 ] mass: 18.998403 reduced_to: 135 - symbol: F # 136 coordinates: [ 0.726125020000000, 0.628184790000000, 0.544239190000000 ] mass: 18.998403 reduced_to: 135 - symbol: F # 137 coordinates: [ 0.210756460000000, 0.966842780000000, 0.506630320000000 ] mass: 18.998403 reduced_to: 137 - symbol: F # 138 coordinates: [ 0.710756460000000, 0.966842780000000, 0.506630320000000 ] mass: 18.998403 reduced_to: 137 - symbol: F # 139 coordinates: [ 0.168150355000000, 0.547179120000000, 0.209701550000000 ] mass: 18.998403 reduced_to: 139 - symbol: F # 140 coordinates: [ 0.668150355000000, 0.547179120000000, 0.209701550000000 ] mass: 18.998403 reduced_to: 139 - symbol: F # 141 coordinates: [ 0.044166105000000, 0.917969150000000, 0.369907160000000 ] mass: 18.998403 reduced_to: 141 - symbol: F # 142 coordinates: [ 0.544166105000000, 0.917969150000000, 0.369907160000000 ] mass: 18.998403 reduced_to: 141 - symbol: F # 143 coordinates: [ 0.291014230000000, 0.471488930000000, 0.047133020000000 ] mass: 18.998403 reduced_to: 143 - symbol: F # 144 coordinates: [ 0.791014230000000, 0.471488930000000, 0.047133020000000 ] mass: 18.998403 reduced_to: 143displacements:- atom: 1 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0618038500000000, 0.0172593700000000, 0.0059372300000000 ] - [ 0.0038929000000000, 0.0001696200000000, 0.0004056300000000 ] - [ 0.0030984500000000, 0.0030586500000000, 0.0008623200000000 ] - [ 0.0012195000000000, -0.0068934400000000, -0.0050919000000000 ] - [ -0.0071087900000000, 0.0016605500000000, -0.0104221100000000 ] - [ 0.0036977700000000, 0.0005054600000000, 0.0013633900000000 ] - [ 0.0027997600000000, -0.0016938500000000, 0.0013594500000000 ] - [ 0.0014879200000000, 0.0078982500000000, -0.0038155700000000 ] - [ -0.0020879000000000, 0.0003595400000000, 0.0001879400000000 ] - [ 0.0005891600000000, -0.0002082300000000, 0.0005709900000000 ] - [ 0.0029875100000000, -0.0019361600000000, -0.0000447200000000 ] - [ -0.0005465200000000, 0.0052165700000000, 0.0042756800000000 ] - [ 0.0002924400000000, 0.0004848300000000, 0.0001812300000000 ] - [ -0.0003441500000000, 0.0007918600000000, -0.0000447600000000 ] - [ -0.0012730800000000, 0.0002975100000000, -0.0010211000000000 ] - [ 0.0014048800000000, 0.0002009500000000, 0.0000476100000000 ] - [ -0.0016671600000000, 0.0002738900000000, -0.0006529700000000 ] - [ 0.0011599100000000, 0.0002104300000000, 0.0005728800000000 ] - [ -0.0024750700000000, -0.0005691100000000, -0.0005256000000000 ] - [ 0.0012547700000000, 0.0004586000000000, 0.0000187200000000 ] - [ 0.0006565600000000, 0.0002373900000000, 0.0003566500000000 ] - [ -0.0003093900000000, 0.0001554900000000, 0.0001507100000000 ] - [ 0.0023943500000000, 0.0022261500000000, 0.0005362400000000 ] - [ -0.0021938000000000, -0.0041686000000000, 0.0039337600000000 ] - [ -0.0016288600000000, -0.0108997800000000, -0.0075008000000000 ] - [ 0.0027310100000000, 0.0008534900000000, 0.0006548900000000 ] - [ 0.0097881100000000, 0.0022828500000000, -0.0013670800000000 ] - [ 0.0140761200000000, -0.0028352700000000, 0.0046819400000000 ] - [ -0.0081068200000000, -0.0055200500000000, 0.0036879000000000 ] - [ 0.0018070100000000, -0.0002129200000000, 0.0008283500000000 ] - [ 0.0004230500000000, -0.0001052000000000, -0.0000742100000000 ] - [ 0.0006461400000000, -0.0015573100000000, -0.0000539900000000 ] - [ 0.0012235300000000, -0.0023297600000000, 0.0003701900000000 ] - [ 0.0008776900000000, 0.0009118700000000, 0.0005156500000000 ] - [ -0.0048452500000000, 0.0013592900000000, 0.0009095100000000 ] - [ 0.0011678800000000, -0.0006355100000000, 0.0010126800000000 ] - [ -0.0010387000000000, -0.0006275700000000, -0.0003766600000000 ] - [ 0.0000904300000000, -0.0003049000000000, 0.0000225300000000 ] - [ 0.0046646800000000, 0.0013702400000000, 0.0045468900000000 ] - [ 0.0017008600000000, -0.0006966600000000, -0.0004144500000000 ] - [ 0.0011768300000000, -0.0014833500000000, -0.0003459600000000 ] - [ 0.0011103000000000, 0.0010263800000000, -0.0005345800000000 ] - [ 0.0002421400000000, 0.0008072200000000, 0.0000686700000000 ] - [ 0.0004782600000000, -0.0012342100000000, 0.0002142900000000 ] - [ -0.0008630500000000, -0.0005827300000000, -0.0000294400000000 ] - [ 0.0002676800000000, -0.0003243100000000, 0.0001968900000000 ] - [ -0.0021693000000000, 0.0041959100000000, -0.0026057700000000 ] - [ 0.0017786800000000, -0.0016575600000000, 0.0002248600000000 ] - [ -0.0025980200000000, -0.0004878200000000, -0.0001794000000000 ] - [ 0.0135255100000000, -0.0061575100000000, 0.0025519000000000 ] - [ -0.0013526500000000, 0.0022523900000000, 0.0002101100000000 ] - [ -0.0014225700000000, -0.0016134400000000, -0.0002821700000000 ] - [ 0.0083448900000000, 0.0010642300000000, -0.0002171100000000 ] - [ -0.0015382200000000, 0.0000371500000000, -0.0005620100000000 ] - [ -0.0003073000000000, -0.0003117600000000, 0.0002673100000000 ] - [ 0.0002889000000000, -0.0008762700000000, 0.0004959300000000 ] - [ 0.0001574700000000, -0.0001410800000000, -0.0000915200000000 ] - [ -0.0004938600000000, -0.0001919100000000, -0.0001672100000000 ] - [ 0.0016585300000000, 0.0013641800000000, 0.0010660300000000 ] - [ -0.0008954500000000, -0.0004289100000000, -0.0012483800000000 ] - [ -0.0003035000000000, 0.0003779800000000, -0.0001249600000000 ] - [ -0.0001970800000000, -0.0014098800000000, 0.0000835200000000 ] - [ -0.0047606200000000, -0.0020890800000000, -0.0018462700000000 ] - [ -0.0032873100000000, 0.0013324600000000, 0.0021743100000000 ] - [ 0.0007454900000000, 0.0007515500000000, 0.0005630800000000 ] - [ -0.0012563700000000, -0.0009471300000000, -0.0006144500000000 ] - [ 0.0010322200000000, 0.0002070400000000, 0.0002743900000000 ] - [ 0.0001590600000000, 0.0000388800000000, -0.0000460600000000 ] - [ 0.0005990300000000, -0.0006649100000000, 0.0001772100000000 ] - [ -0.0004820600000000, 0.0003979100000000, -0.0003551800000000 ] - [ 0.0014240000000000, -0.0000175100000000, 0.0006534300000000 ] - [ -0.0014107900000000, -0.0000050900000000, -0.0000577100000000 ] - [ 0.0004063600000000, -0.0016303700000000, -0.0006790600000000 ] - [ -0.0008566400000000, 0.0010220600000000, -0.0001253800000000 ] - [ 0.0055844200000000, 0.0002381500000000, -0.0008052600000000 ] - [ -0.0020114800000000, -0.0002946200000000, -0.0009653000000000 ] - [ -0.0007559200000000, -0.0026683800000000, 0.0009555800000000 ] - [ -0.0022356000000000, 0.0016126100000000, -0.0013213000000000 ] - [ 0.0009697600000000, -0.0009801200000000, 0.0012869100000000 ] - [ -0.0008702700000000, -0.0000694200000000, -0.0004452500000000 ] - [ -0.0012427000000000, 0.0006507100000000, -0.0002128200000000 ] - [ 0.0005419800000000, -0.0013303600000000, 0.0004721100000000 ] - [ -0.0007695900000000, 0.0004097200000000, 0.0003532600000000 ] - [ -0.0009354200000000, -0.0010386300000000, 0.0000780200000000 ] - [ -0.0004575800000000, 0.0017236900000000, -0.0006652300000000 ] - [ -0.0008501300000000, -0.0005206300000000, -0.0001379100000000 ] - [ 0.0000919400000000, -0.0014528100000000, 0.0003672700000000 ] - [ 0.0001567800000000, 0.0014138600000000, 0.0001221900000000 ] - [ 0.0020780700000000, 0.0003612200000000, -0.0001665500000000 ] - [ -0.0011036800000000, 0.0005384100000000, -0.0004211200000000 ] - [ 0.0004434000000000, 0.0002526700000000, -0.0001650500000000 ] - [ -0.0005160800000000, 0.0001874800000000, -0.0003644500000000 ] - [ -0.0025023500000000, -0.0001511100000000, 0.0003223600000000 ] - [ -0.0023051500000000, 0.0002439000000000, -0.0031810700000000 ] - [ -0.0004147600000000, 0.0001376800000000, -0.0000843600000000 ] - [ 0.0002065600000000, 0.0003939800000000, 0.0001075000000000 ] - [ 0.0009101600000000, 0.0002846000000000, -0.0000092500000000 ] - [ 0.0004081700000000, 0.0001698400000000, -0.0001127300000000 ] - [ -0.0002748500000000, -0.0004370700000000, 0.0006118700000000 ] - [ -0.0005273100000000, 0.0002552300000000, 0.0006609900000000 ] - [ 0.0005698100000000, -0.0004285400000000, 0.0000418600000000 ] - [ -0.0005139700000000, 0.0004079900000000, -0.0000689600000000 ] - [ -0.0003012400000000, -0.0001483800000000, -0.0000643700000000 ] - [ 0.0004381500000000, 0.0019427800000000, 0.0005258300000000 ] - [ -0.0006441300000000, 0.0008728000000000, -0.0004816100000000 ] - [ 0.0017275800000000, -0.0017269500000000, -0.0001021800000000 ] - [ -0.0000390400000000, -0.0000179200000000, -0.0006422800000000 ] - [ -0.0002320900000000, 0.0001881100000000, -0.0007169800000000 ] - [ -0.0014929800000000, 0.0008672000000000, -0.0007128100000000 ] - [ 0.0001149600000000, -0.0008674000000000, 0.0009131500000000 ] - [ -0.0002454800000000, 0.0008839600000000, 0.0001708700000000 ] - [ 0.0002753500000000, 0.0001873600000000, 0.0002420100000000 ] - [ 0.0018501700000000, -0.0027769300000000, -0.0006775400000000 ] - [ -0.0002910200000000, 0.0002158900000000, -0.0003692600000000 ] - [ -0.0024756700000000, 0.0005823800000000, -0.0004774300000000 ] - [ 0.0041225400000000, -0.0024418700000000, -0.0005794500000000 ] - [ 0.0059706100000000, -0.0014680000000000, -0.0002390800000000 ] - [ -0.0014985600000000, -0.0006159300000000, 0.0001225200000000 ] - [ 0.0002548800000000, -0.0008392300000000, -0.0002030000000000 ] - [ 0.0003850300000000, 0.0000705800000000, -0.0002997600000000 ] - [ 0.0065746400000000, -0.0019811100000000, -0.0000197200000000 ] - [ -0.0014074500000000, -0.0005772900000000, -0.0008299100000000 ] - [ -0.0003313000000000, 0.0005314700000000, 0.0002017400000000 ] - [ 0.0004363200000000, 0.0008822800000000, 0.0003682100000000 ] - [ 0.0003018700000000, 0.0006695800000000, -0.0000231100000000 ] - [ -0.0005878300000000, -0.0000462800000000, -0.0002899400000000 ] - [ -0.0017129800000000, -0.0002614700000000, -0.0006264900000000 ] - [ 0.0019621200000000, 0.0004224900000000, 0.0016285500000000 ] - [ 0.0069106600000000, 0.0030454400000000, -0.0029155500000000 ] - [ -0.0015168300000000, 0.0005402800000000, -0.0004780800000000 ] - [ 0.0001849900000000, -0.0001718700000000, 0.0002662900000000 ] - [ -0.0005497000000000, -0.0001499400000000, -0.0000042900000000 ] - [ 0.0020736300000000, 0.0007717500000000, 0.0004001700000000 ] - [ -0.0006994600000000, -0.0003815200000000, -0.0002379800000000 ] - [ 0.0000126300000000, 0.0004255900000000, 0.0003051700000000 ] - [ -0.0008170300000000, -0.0004397300000000, 0.0001555200000000 ] - [ 0.0041112100000000, 0.0003260400000000, 0.0024441500000000 ] - [ -0.0029825500000000, -0.0004149400000000, -0.0000727400000000 ] - [ 0.0003766400000000, 0.0002019300000000, -0.0000779200000000 ] - [ -0.0001898800000000, 0.0001943100000000, -0.0002589200000000 ] - [ 0.0078004700000000, 0.0010700900000000, 0.0015318200000000 ] - [ -0.0018744900000000, 0.0004621300000000, -0.0007037400000000 ] - [ 0.0003180600000000, 0.0001170400000000, 0.0004599500000000 ] - [ 0.0001093300000000, 0.0002761200000000, 0.0004205100000000 ]- atom: 1 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0621376500000000, -0.0166299000000000, -0.0060080400000000 ] - [ -0.0043031500000000, 0.0004693500000000, -0.0009187600000000 ] - [ -0.0028860800000000, -0.0022927300000000, -0.0011229400000000 ] - [ -0.0009837300000000, 0.0076793800000000, 0.0048595900000000 ] - [ 0.0071500100000000, -0.0001978600000000, 0.0102482300000000 ] - [ -0.0036395200000000, 0.0009499400000000, -0.0015079200000000 ] - [ -0.0032131100000000, 0.0022685600000000, -0.0006620500000000 ] - [ -0.0018864200000000, -0.0073477500000000, 0.0045434100000000 ] - [ 0.0010389200000000, -0.0003628200000000, 0.0005143500000000 ] - [ -0.0016371200000000, 0.0002160800000000, 0.0001311100000000 ] - [ -0.0019466700000000, 0.0019338600000000, -0.0006650000000000 ] - [ 0.0016266900000000, -0.0052325300000000, -0.0049979700000000 ] - [ -0.0003580500000000, 0.0009692100000000, -0.0000396800000000 ] - [ 0.0002855900000000, 0.0006619300000000, 0.0001884300000000 ] - [ 0.0016861000000000, 0.0002821700000000, 0.0003277300000000 ] - [ -0.0009949100000000, 0.0003914600000000, -0.0007412900000000 ] - [ 0.0014598500000000, 0.0004802000000000, 0.0009177400000000 ] - [ -0.0013713300000000, 0.0005344100000000, -0.0003097100000000 ] - [ 0.0021022900000000, 0.0016060700000000, 0.0000103100000000 ] - [ -0.0016325900000000, 0.0005602100000000, -0.0005354000000000 ] - [ -0.0002516500000000, 0.0004024000000000, 0.0001552700000000 ] - [ 0.0007210700000000, 0.0004839800000000, 0.0003629400000000 ] - [ -0.0020221100000000, -0.0011981600000000, -0.0000247600000000 ] - [ 0.0026012700000000, 0.0052011000000000, -0.0034230100000000 ] - [ 0.0012649000000000, 0.0109214300000000, 0.0072902500000000 ] - [ -0.0030386200000000, -0.0007884400000000, -0.0008411900000000 ] - [ -0.0087474400000000, -0.0029823500000000, 0.0016743600000000 ] - [ -0.0132286900000000, 0.0021607100000000, -0.0043937900000000 ] - [ 0.0072951400000000, 0.0041679700000000, -0.0034750900000000 ] - [ -0.0025789400000000, -0.0011862200000000, -0.0005707700000000 ] - [ 0.0003457500000000, -0.0012879200000000, -0.0001875700000000 ] - [ 0.0001329500000000, 0.0001652400000000, -0.0002053500000000 ] - [ 0.0001768800000000, 0.0009569900000000, 0.0003504300000000 ] - [ 0.0005304800000000, -0.0022888600000000, 0.0002028600000000 ] - [ 0.0030912300000000, -0.0015487600000000, 0.0001286200000000 ] - [ -0.0028907300000000, 0.0004840800000000, 0.0000403100000000 ] - [ 0.0000596500000000, -0.0000830400000000, 0.0000334000000000 ] - [ -0.0010664500000000, -0.0004071700000000, -0.0003651800000000 ] - [ -0.0040902300000000, -0.0020575000000000, -0.0046511100000000 ] - [ -0.0010977900000000, 0.0000184300000000, 0.0002891400000000 ] - [ 0.0005429600000000, 0.0013201100000000, -0.0007146000000000 ] - [ 0.0006200600000000, -0.0011941600000000, -0.0005223800000000 ] - [ 0.0000535700000000, -0.0007250700000000, 0.0001208000000000 ] - [ -0.0001730500000000, 0.0013151500000000, -0.0000229200000000 ] - [ 0.0002642600000000, -0.0001050900000000, 0.0001793100000000 ] - [ -0.0008638400000000, -0.0003638600000000, -0.0000459400000000 ] - [ 0.0007295400000000, -0.0055754700000000, 0.0018665200000000 ] - [ -0.0031856500000000, 0.0002939300000000, -0.0009529800000000 ] - [ 0.0014747000000000, 0.0005501000000000, 0.0000215000000000 ] - [ -0.0152571800000000, 0.0067792400000000, -0.0029388700000000 ] - [ 0.0010217600000000, -0.0022781900000000, 0.0000483500000000 ] - [ 0.0010858300000000, 0.0015861500000000, 0.0005390800000000 ] - [ -0.0081530200000000, -0.0007554300000000, 0.0002797600000000 ] - [ 0.0017719300000000, 0.0003404100000000, 0.0005397800000000 ] - [ 0.0002777400000000, -0.0009099100000000, 0.0004838700000000 ] - [ -0.0003223900000000, -0.0003451300000000, 0.0002539500000000 ] - [ -0.0005471800000000, -0.0002919100000000, -0.0001545500000000 ] - [ 0.0001035900000000, -0.0002438600000000, -0.0000788600000000 ] - [ -0.0010230800000000, -0.0016224400000000, -0.0023298100000000 ] - [ 0.0015221800000000, 0.0001757200000000, -0.0000284800000000 ] - [ 0.0001759900000000, -0.0010744000000000, 0.0001266700000000 ] - [ 0.0000652100000000, 0.0007152600000000, -0.0000826700000000 ] - [ 0.0045165100000000, 0.0023684800000000, 0.0021591600000000 ] - [ 0.0031021400000000, -0.0010503100000000, -0.0018553900000000 ] - [ -0.0015979700000000, -0.0020337100000000, -0.0012895200000000 ] - [ 0.0004027400000000, -0.0003218800000000, -0.0001066100000000 ] - [ 0.0000859500000000, -0.0001422400000000, -0.0001129700000000 ] - [ 0.0009610700000000, 0.0000286100000000, 0.0002085200000000 ] - [ -0.0002582200000000, 0.0006335800000000, -0.0004327500000000 ] - [ 0.0008170700000000, -0.0004345200000000, 0.0000979900000000 ] - [ -0.0022132400000000, 0.0003749900000000, -0.0001843700000000 ] - [ 0.0006280300000000, 0.0003507600000000, 0.0005285600000000 ] - [ -0.0001251700000000, 0.0020490200000000, 0.0009462500000000 ] - [ 0.0011188900000000, -0.0006052000000000, 0.0003894800000000 ] - [ -0.0059224200000000, 0.0000130400000000, 0.0001007700000000 ] - [ 0.0015378600000000, 0.0005909000000000, 0.0000601800000000 ] - [ 0.0014575300000000, 0.0024408300000000, -0.0014151200000000 ] - [ 0.0029320000000000, -0.0018344100000000, 0.0008517600000000 ] - [ -0.0008330500000000, 0.0002956900000000, -0.0012844100000000 ] - [ 0.0010007300000000, -0.0006312500000000, 0.0004440500000000 ] - [ 0.0004732700000000, -0.0007923600000000, 0.0002353300000000 ] - [ -0.0013209800000000, 0.0011887600000000, -0.0004528800000000 ] - [ -0.0006304100000000, -0.0010067700000000, 0.0002113900000000 ] - [ -0.0004686100000000, 0.0004434800000000, 0.0004848000000000 ] - [ 0.0003999000000000, -0.0015742700000000, 0.0005618800000000 ] - [ 0.0007803400000000, 0.0006756600000000, 0.0000300400000000 ] - [ 0.0007652500000000, 0.0001772000000000, 0.0003559000000000 ] - [ 0.0006950300000000, -0.0026888700000000, 0.0005988200000000 ] - [ -0.0022973200000000, 0.0007161300000000, -0.0001455200000000 ] - [ 0.0008922300000000, 0.0005523400000000, 0.0001063600000000 ] - [ -0.0006060200000000, 0.0000553100000000, -0.0003565900000000 ] - [ 0.0003557900000000, 0.0001229000000000, -0.0001569400000000 ] - [ 0.0011756800000000, 0.0005040600000000, -0.0001966100000000 ] - [ 0.0009774900000000, 0.0001060200000000, 0.0033175200000000 ] - [ 0.0001831300000000, 0.0002366100000000, 0.0001063200000000 ] - [ -0.0004421200000000, -0.0000181700000000, -0.0000868900000000 ] - [ 0.0004207100000000, 0.0000665100000000, -0.0001038200000000 ] - [ 0.0009209900000000, 0.0001810900000000, -0.0000008000000000 ] - [ -0.0003492200000000, 0.0001807500000000, 0.0006668800000000 ] - [ -0.0001012700000000, -0.0005128300000000, 0.0006166700000000 ] - [ -0.0004973100000000, 0.0005830300000000, 0.0000666600000000 ] - [ 0.0005799100000000, -0.0002597800000000, 0.0001757000000000 ] - [ 0.0005157600000000, 0.0012333100000000, 0.0003783600000000 ] - [ -0.0002308700000000, -0.0008563100000000, -0.0002138400000000 ] - [ 0.0014300700000000, -0.0005229800000000, 0.0000115600000000 ] - [ -0.0009533300000000, 0.0020792400000000, -0.0003702500000000 ] - [ -0.0001616000000000, 0.0000849400000000, -0.0007099300000000 ] - [ 0.0000282900000000, -0.0001209100000000, -0.0006358100000000 ] - [ 0.0018888600000000, -0.0012979900000000, 0.0009539600000000 ] - [ 0.0002649200000000, 0.0004368300000000, -0.0006768500000000 ] - [ 0.0002821800000000, 0.0002145200000000, 0.0002493100000000 ] - [ -0.0002422400000000, 0.0009116900000000, 0.0001776400000000 ] - [ -0.0004319200000000, 0.0021836500000000, 0.0001153200000000 ] - [ 0.0016937100000000, -0.0008167800000000, -0.0001937600000000 ] - [ 0.0028622400000000, -0.0009754000000000, 0.0002531200000000 ] - [ -0.0042861600000000, 0.0018185100000000, 0.0002410800000000 ] - [ -0.0066430500000000, 0.0003231900000000, 0.0006733100000000 ] - [ 0.0007942900000000, -0.0004189500000000, 0.0003155200000000 ] - [ 0.0004525700000000, -0.0001992300000000, -0.0002347600000000 ] - [ 0.0003183600000000, -0.0011091900000000, -0.0001392000000000 ] - [ -0.0065403700000000, 0.0007507100000000, -0.0007482600000000 ] - [ 0.0014391900000000, -0.0006467800000000, 0.0000783200000000 ] - [ 0.0003721900000000, 0.0006919100000000, 0.0003558900000000 ] - [ -0.0003991300000000, 0.0003422500000000, 0.0001886200000000 ] - [ -0.0005629300000000, -0.0002487600000000, -0.0002434300000000 ] - [ 0.0003242900000000, 0.0004696900000000, 0.0000221700000000 ] - [ 0.0018753800000000, 0.0005682800000000, 0.0011441100000000 ] - [ -0.0018218000000000, -0.0001144300000000, -0.0011200400000000 ] - [ -0.0069698500000000, -0.0019182500000000, 0.0024567600000000 ] - [ 0.0014827000000000, 0.0005559000000000, 0.0000596900000000 ] - [ -0.0005792400000000, -0.0002262200000000, -0.0000382000000000 ] - [ 0.0001558400000000, -0.0002507700000000, 0.0002321400000000 ] - [ -0.0013072900000000, -0.0009050700000000, -0.0004233300000000 ] - [ 0.0014714300000000, 0.0002346100000000, 0.0002164200000000 ] - [ -0.0007063100000000, -0.0006371900000000, 0.0001675800000000 ] - [ 0.0001199600000000, 0.0002303900000000, 0.0003169800000000 ] - [ -0.0034288200000000, -0.0003616700000000, -0.0013200100000000 ] - [ 0.0031948800000000, 0.0004862800000000, 0.0014296800000000 ] - [ -0.0001674500000000, 0.0000955700000000, -0.0002591700000000 ] - [ 0.0003976000000000, 0.0001041800000000, -0.0000784800000000 ] - [ -0.0078347900000000, 0.0001627900000000, -0.0020580100000000 ] - [ 0.0018373800000000, 0.0007646400000000, 0.0001480200000000 ] - [ 0.0001589800000000, 0.0001746400000000, 0.0004451800000000 ] - [ 0.0003641400000000, 0.0000157000000000, 0.0004833900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0168010900000000, -0.0898975000000000, 0.0088270200000000 ] - [ -0.0003551400000000, -0.0018514300000000, -0.0003020100000000 ] - [ 0.0017933400000000, -0.0003680000000000, 0.0003361600000000 ] - [ -0.0073955600000000, 0.0043854300000000, 0.0031311700000000 ] - [ 0.0013250400000000, -0.0150874900000000, -0.0007137700000000 ] - [ -0.0001416600000000, -0.0015285000000000, -0.0001662300000000 ] - [ -0.0027175700000000, -0.0005082500000000, -0.0003530000000000 ] - [ 0.0068239700000000, 0.0033776700000000, -0.0016734000000000 ] - [ -0.0002920400000000, 0.0048259200000000, 0.0004491300000000 ] - [ -0.0008423400000000, 0.0012408400000000, 0.0003130500000000 ] - [ -0.0014108400000000, -0.0012614600000000, -0.0008334300000000 ] - [ 0.0057633900000000, 0.0006278700000000, 0.0041736600000000 ] - [ -0.0000012900000000, 0.0028882100000000, 0.0000387100000000 ] - [ 0.0002450500000000, 0.0037006400000000, 0.0000692900000000 ] - [ 0.0001873000000000, 0.0041335100000000, -0.0004107400000000 ] - [ 0.0000142300000000, 0.0013457500000000, -0.0004493600000000 ] - [ -0.0000221400000000, 0.0042509600000000, 0.0001760600000000 ] - [ -0.0002177300000000, 0.0014762500000000, 0.0000999000000000 ] - [ -0.0001817200000000, 0.0069322300000000, -0.0002358300000000 ] - [ -0.0001989000000000, 0.0014337400000000, -0.0002619900000000 ] - [ 0.0002881800000000, 0.0022399200000000, 0.0003043400000000 ] - [ 0.0003671800000000, 0.0034594300000000, 0.0003642100000000 ] - [ 0.0017015200000000, -0.0000074100000000, 0.0006332200000000 ] - [ -0.0042312100000000, 0.0039842100000000, -0.0051523700000000 ] - [ -0.0110116800000000, 0.0057873500000000, 0.0097620100000000 ] - [ 0.0008377800000000, -0.0010172100000000, 0.0001468300000000 ] - [ 0.0007067900000000, -0.0054755600000000, -0.0004363200000000 ] - [ -0.0030927900000000, -0.0098414500000000, -0.0006306000000000 ] - [ -0.0048596200000000, 0.0049151800000000, -0.0141644200000000 ] - [ 0.0002252100000000, -0.0018434800000000, 0.0003551100000000 ] - [ 0.0014057500000000, 0.0010622200000000, 0.0002706300000000 ] - [ -0.0005187500000000, 0.0013827400000000, -0.0004237800000000 ] - [ -0.0006666700000000, 0.0011854200000000, 0.0001644800000000 ] - [ 0.0022732900000000, 0.0013619100000000, 0.0007371100000000 ] - [ 0.0028645600000000, 0.0057614500000000, 0.0057770400000000 ] - [ -0.0018181900000000, -0.0002836500000000, 0.0003036200000000 ] - [ -0.0005038600000000, 0.0024435000000000, -0.0002477200000000 ] - [ -0.0004758000000000, 0.0011078500000000, -0.0001982400000000 ] - [ -0.0000415200000000, -0.0052257800000000, 0.0005128400000000 ] - [ -0.0004239200000000, -0.0048839300000000, 0.0000791600000000 ] - [ -0.0004500600000000, 0.0018423400000000, -0.0010801400000000 ] - [ 0.0019284200000000, 0.0014541300000000, -0.0002597500000000 ] - [ 0.0012689300000000, 0.0017815800000000, 0.0002457100000000 ] - [ -0.0008382100000000, 0.0024740100000000, -0.0001504000000000 ] - [ -0.0003790600000000, 0.0025344600000000, 0.0001342700000000 ] - [ -0.0003474200000000, 0.0011149900000000, 0.0001067100000000 ] - [ 0.0050588300000000, 0.0056447200000000, -0.0031926500000000 ] - [ -0.0020326700000000, -0.0007085900000000, -0.0006715900000000 ] - [ -0.0010698700000000, 0.0011190400000000, -0.0001621700000000 ] - [ -0.0062367100000000, 0.0118288200000000, -0.0018348500000000 ] - [ 0.0025550900000000, -0.0009899400000000, -0.0001447200000000 ] - [ -0.0015672800000000, -0.0001720100000000, -0.0003425700000000 ] - [ 0.0001529600000000, 0.0080143400000000, 0.0006323400000000 ] - [ 0.0004460100000000, 0.0010778300000000, 0.0001120600000000 ] - [ 0.0002166600000000, -0.0015507100000000, 0.0004978300000000 ] - [ -0.0003660200000000, -0.0020154500000000, 0.0003641600000000 ] - [ -0.0004103300000000, -0.0021220400000000, -0.0001756100000000 ] - [ -0.0002083900000000, -0.0009489300000000, -0.0001079100000000 ] - [ 0.0018217200000000, 0.0006557400000000, -0.0002207500000000 ] - [ -0.0002922900000000, 0.0005768300000000, -0.0008784000000000 ] - [ 0.0005312000000000, -0.0011546800000000, 0.0001404900000000 ] - [ -0.0007676900000000, -0.0016806500000000, 0.0000135100000000 ] - [ -0.0011509700000000, 0.0024279700000000, -0.0001489700000000 ] - [ 0.0017115600000000, 0.0030924600000000, -0.0003280900000000 ] - [ -0.0001029100000000, -0.0036914100000000, -0.0020779200000000 ] - [ -0.0005947700000000, -0.0007950000000000, -0.0004093200000000 ] - [ 0.0003467600000000, -0.0018800100000000, -0.0001541000000000 ] - [ 0.0004893900000000, -0.0006535800000000, 0.0000508200000000 ] - [ -0.0008602400000000, -0.0016119200000000, -0.0000885400000000 ] - [ 0.0007159200000000, -0.0005461600000000, 0.0000369900000000 ] - [ -0.0003374100000000, -0.0026670600000000, 0.0009117400000000 ] - [ -0.0004548700000000, -0.0000171300000000, 0.0002141500000000 ] - [ -0.0021226200000000, 0.0014293300000000, -0.0013392700000000 ] - [ 0.0012146100000000, 0.0009877500000000, 0.0006373900000000 ] - [ 0.0008455700000000, 0.0081365300000000, 0.0011870600000000 ] - [ -0.0001652200000000, 0.0013925700000000, -0.0005013800000000 ] - [ -0.0027070600000000, 0.0011926400000000, 0.0000222200000000 ] - [ 0.0027733500000000, 0.0002263000000000, 0.0004898100000000 ] - [ -0.0008141200000000, -0.0019048900000000, -0.0002503900000000 ] - [ 0.0004454400000000, -0.0002606800000000, 0.0001951200000000 ] - [ 0.0003294100000000, -0.0003654700000000, 0.0002547000000000 ] - [ -0.0011299000000000, -0.0011498500000000, -0.0001494800000000 ] - [ -0.0001421600000000, -0.0009957200000000, 0.0004492400000000 ] - [ -0.0013261500000000, -0.0011108000000000, -0.0000568100000000 ] - [ 0.0022623900000000, -0.0012461100000000, 0.0016878500000000 ] - [ -0.0010578800000000, 0.0001320500000000, -0.0001736700000000 ] - [ -0.0001762200000000, -0.0008574300000000, 0.0002688500000000 ] - [ 0.0016563000000000, -0.0027292200000000, 0.0008082900000000 ] - [ -0.0010906900000000, -0.0024966400000000, 0.0014381000000000 ] - [ -0.0000229500000000, 0.0004473000000000, -0.0001310600000000 ] - [ -0.0003483800000000, -0.0016118000000000, -0.0002180800000000 ] - [ -0.0001102800000000, -0.0005038000000000, -0.0002739400000000 ] - [ -0.0003254600000000, 0.0021611200000000, 0.0001576400000000 ] - [ -0.0005135700000000, 0.0034576900000000, 0.0002506800000000 ] - [ -0.0001567300000000, -0.0006037600000000, 0.0000295200000000 ] - [ 0.0002685400000000, -0.0013320600000000, 0.0002067600000000 ] - [ 0.0005713800000000, -0.0014332200000000, -0.0000723400000000 ] - [ 0.0006591400000000, -0.0006020400000000, -0.0000539900000000 ] - [ -0.0009176900000000, -0.0012031100000000, 0.0004833000000000 ] - [ 0.0000339900000000, -0.0010826000000000, 0.0006644300000000 ] - [ -0.0009182800000000, -0.0014322000000000, -0.0005387300000000 ] - [ 0.0005040600000000, -0.0003395100000000, 0.0001855500000000 ] - [ -0.0003712900000000, 0.0002720700000000, -0.0000005900000000 ] - [ 0.0008376300000000, -0.0010987900000000, 0.0001477800000000 ] - [ 0.0011172200000000, -0.0001084000000000, -0.0000953100000000 ] - [ -0.0013392600000000, -0.0020623500000000, -0.0008017700000000 ] - [ -0.0001020700000000, -0.0011163600000000, -0.0006450200000000 ] - [ 0.0000912600000000, -0.0009914300000000, -0.0006438200000000 ] - [ 0.0008166800000000, 0.0009838800000000, 0.0003619700000000 ] - [ -0.0015366700000000, 0.0023041400000000, -0.0000937300000000 ] - [ 0.0003036400000000, -0.0004357600000000, 0.0002266600000000 ] - [ -0.0002491300000000, -0.0010956800000000, 0.0000708300000000 ] - [ -0.0017201100000000, -0.0043703500000000, -0.0009732300000000 ] - [ 0.0013110700000000, -0.0003841700000000, -0.0002195500000000 ] - [ 0.0008368900000000, 0.0010202300000000, 0.0000409700000000 ] - [ -0.0011565200000000, 0.0073405200000000, -0.0007327700000000 ] - [ -0.0023564700000000, 0.0111947200000000, -0.0003789300000000 ] - [ -0.0006325600000000, 0.0000981600000000, 0.0001866600000000 ] - [ -0.0000750700000000, -0.0013600000000000, -0.0003334700000000 ] - [ 0.0006372600000000, -0.0019283000000000, -0.0000638600000000 ] - [ -0.0015881000000000, 0.0111228000000000, 0.0041004800000000 ] - [ 0.0000646000000000, 0.0001933200000000, -0.0003199200000000 ] - [ -0.0000315400000000, -0.0001408500000000, 0.0002455000000000 ] - [ 0.0004288800000000, -0.0009132700000000, 0.0003209300000000 ] - [ 0.0001895300000000, -0.0012669000000000, 0.0001580600000000 ] - [ -0.0004810300000000, -0.0005284500000000, -0.0002181700000000 ] - [ -0.0003223400000000, 0.0011951800000000, 0.0000700000000000 ] - [ 0.0013890200000000, 0.0028165300000000, 0.0008151600000000 ] - [ 0.0018630300000000, 0.0158316700000000, -0.0078766600000000 ] - [ 0.0002687200000000, 0.0014367300000000, -0.0001987100000000 ] - [ -0.0002088700000000, -0.0020640700000000, 0.0001110400000000 ] - [ -0.0001546000000000, -0.0009261500000000, 0.0001117800000000 ] - [ 0.0006360800000000, -0.0028869600000000, -0.0005576700000000 ] - [ 0.0003555800000000, -0.0002479800000000, -0.0000186100000000 ] - [ 0.0000907900000000, -0.0015749600000000, 0.0001724800000000 ] - [ -0.0007456900000000, -0.0009220300000000, 0.0001237900000000 ] - [ 0.0018356000000000, 0.0078706600000000, -0.0001432200000000 ] - [ -0.0001523000000000, 0.0015218200000000, 0.0006446000000000 ] - [ 0.0003823200000000, -0.0012847700000000, -0.0000941400000000 ] - [ 0.0001621700000000, -0.0005649600000000, -0.0001513600000000 ] - [ 0.0001614500000000, 0.0085372100000000, -0.0011263000000000 ] - [ 0.0002883400000000, 0.0013985600000000, -0.0002210600000000 ] - [ 0.0002501000000000, -0.0009856400000000, 0.0004228000000000 ] - [ 0.0004079000000000, -0.0008450800000000, 0.0005151600000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0171056600000000, 0.0908209100000000, -0.0091962000000000 ] - [ -0.0000553200000000, 0.0024895700000000, -0.0002118300000000 ] - [ -0.0015799700000000, 0.0011011100000000, -0.0005988000000000 ] - [ 0.0075661800000000, -0.0036432500000000, -0.0033750700000000 ] - [ -0.0012581200000000, 0.0165044200000000, 0.0005730700000000 ] - [ 0.0002030800000000, 0.0029806500000000, 0.0000238500000000 ] - [ 0.0023111600000000, 0.0011118400000000, 0.0010479400000000 ] - [ -0.0072704700000000, -0.0027706100000000, 0.0023856400000000 ] - [ -0.0007572600000000, -0.0048074900000000, 0.0002534800000000 ] - [ -0.0002070200000000, -0.0012394600000000, 0.0003890100000000 ] - [ 0.0024558000000000, 0.0012830100000000, 0.0001299300000000 ] - [ -0.0047286400000000, -0.0005990800000000, -0.0048921700000000 ] - [ -0.0000574600000000, -0.0014323800000000, 0.0001049700000000 ] - [ -0.0003108300000000, -0.0022452900000000, 0.0000734500000000 ] - [ 0.0002229900000000, -0.0035431800000000, -0.0002830800000000 ] - [ 0.0003959500000000, -0.0007593400000000, -0.0002440000000000 ] - [ -0.0001905300000000, -0.0035029700000000, 0.0000874500000000 ] - [ 0.0000061000000000, -0.0007230400000000, 0.0001639600000000 ] - [ -0.0001921100000000, -0.0059316900000000, -0.0002800500000000 ] - [ -0.0001786800000000, -0.0004061100000000, -0.0002550400000000 ] - [ 0.0001228200000000, -0.0015994800000000, 0.0002092500000000 ] - [ 0.0000377800000000, -0.0028184100000000, 0.0001467500000000 ] - [ -0.0013233300000000, 0.0010192100000000, -0.0001165900000000 ] - [ 0.0045851100000000, -0.0029684800000000, 0.0056455400000000 ] - [ 0.0108119300000000, -0.0057120400000000, -0.0100619300000000 ] - [ -0.0011404500000000, 0.0011014900000000, -0.0003315500000000 ] - [ 0.0002385500000000, 0.0047411000000000, 0.0007806100000000 ] - [ 0.0040994400000000, 0.0091074900000000, 0.0009826100000000 ] - [ 0.0041224700000000, -0.0063068200000000, 0.0145757600000000 ] - [ -0.0009968400000000, 0.0004549200000000, -0.0000969100000000 ] - [ -0.0006273600000000, -0.0024566500000000, -0.0005281500000000 ] - [ 0.0012886200000000, -0.0027781100000000, 0.0001616100000000 ] - [ 0.0020797400000000, -0.0025533800000000, 0.0005567500000000 ] - [ -0.0008795000000000, -0.0027283100000000, -0.0000150300000000 ] - [ -0.0045768900000000, -0.0059072100000000, -0.0046685800000000 ] - [ 0.0000924100000000, 0.0001214900000000, 0.0007490500000000 ] - [ -0.0004695200000000, -0.0031537200000000, -0.0000932000000000 ] - [ -0.0005015000000000, -0.0018173000000000, -0.0001424800000000 ] - [ 0.0006039500000000, 0.0045219800000000, -0.0006725200000000 ] - [ 0.0010227800000000, 0.0041957700000000, -0.0002187000000000 ] - [ 0.0021791200000000, -0.0020058400000000, 0.0000223200000000 ] - [ -0.0002050700000000, -0.0016148600000000, -0.0008001500000000 ] - [ -0.0009629100000000, -0.0017027700000000, -0.0000549600000000 ] - [ 0.0011345500000000, -0.0023934800000000, 0.0003402800000000 ] - [ -0.0002155900000000, -0.0032227600000000, 0.0000166900000000 ] - [ -0.0002508400000000, -0.0018023600000000, 0.0000433700000000 ] - [ -0.0064321200000000, -0.0069984600000000, 0.0024161200000000 ] - [ 0.0006230900000000, -0.0006655900000000, -0.0000596300000000 ] - [ -0.0000464600000000, -0.0010481700000000, -0.0000011400000000 ] - [ 0.0046726600000000, -0.0114461000000000, 0.0015297000000000 ] - [ -0.0029027000000000, 0.0009519900000000, 0.0004063800000000 ] - [ 0.0012332700000000, 0.0001309600000000, 0.0006000200000000 ] - [ 0.0000059800000000, -0.0077768000000000, -0.0004901500000000 ] - [ -0.0002132400000000, -0.0007056400000000, -0.0001330600000000 ] - [ -0.0002482600000000, 0.0003267300000000, 0.0002516900000000 ] - [ 0.0003376000000000, 0.0007918600000000, 0.0003863900000000 ] - [ 0.0000190500000000, 0.0016850800000000, -0.0000727600000000 ] - [ -0.0001825300000000, 0.0005147700000000, -0.0001394700000000 ] - [ -0.0011955100000000, -0.0009303500000000, -0.0010570900000000 ] - [ 0.0009181800000000, -0.0008355100000000, -0.0004003300000000 ] - [ -0.0006619900000000, 0.0004544500000000, -0.0001390700000000 ] - [ 0.0006427900000000, 0.0009808300000000, -0.0000127300000000 ] - [ 0.0009601000000000, -0.0021156700000000, 0.0004905500000000 ] - [ -0.0019201700000000, -0.0027874300000000, 0.0006674000000000 ] - [ -0.0007575000000000, 0.0024286100000000, 0.0013702600000000 ] - [ -0.0002606600000000, -0.0004774000000000, -0.0003123800000000 ] - [ 0.0007724500000000, 0.0019474100000000, 0.0003184400000000 ] - [ 0.0006294200000000, 0.0007186900000000, 0.0001121100000000 ] - [ 0.0011918200000000, 0.0015771500000000, -0.0001651300000000 ] - [ -0.0003777300000000, 0.0005153100000000, -0.0002932200000000 ] - [ -0.0004466300000000, 0.0030101100000000, -0.0004303000000000 ] - [ -0.0003296300000000, 0.0003696400000000, 0.0002566800000000 ] - [ 0.0023815400000000, -0.0009930200000000, 0.0016020000000000 ] - [ -0.0009495200000000, -0.0005612000000000, -0.0003682800000000 ] - [ -0.0013074000000000, -0.0078744800000000, -0.0020558800000000 ] - [ -0.0003138500000000, -0.0011015800000000, -0.0004021300000000 ] - [ 0.0033940100000000, -0.0013894200000000, -0.0004939200000000 ] - [ -0.0020795700000000, -0.0004317500000000, -0.0009661000000000 ] - [ 0.0009431400000000, 0.0012190900000000, 0.0002491500000000 ] - [ -0.0003173300000000, -0.0004339300000000, -0.0001971200000000 ] - [ -0.0011010400000000, 0.0002202000000000, -0.0002333000000000 ] - [ 0.0003624200000000, 0.0010026700000000, 0.0001727400000000 ] - [ -0.0012603700000000, 0.0003977100000000, 0.0001138800000000 ] - [ -0.0000720400000000, 0.0005135400000000, 0.0006226300000000 ] - [ -0.0023387500000000, 0.0013968000000000, -0.0018055700000000 ] - [ 0.0009915300000000, 0.0000171400000000, 0.0000664000000000 ] - [ 0.0010286700000000, -0.0004071800000000, 0.0004522000000000 ] - [ -0.0007945700000000, 0.0014603100000000, -0.0000854400000000 ] - [ 0.0008852300000000, 0.0035915300000000, -0.0017687300000000 ] - [ -0.0001896500000000, 0.0006390400000000, -0.0001837300000000 ] - [ 0.0001877400000000, 0.0019214500000000, -0.0003054400000000 ] - [ -0.0000520500000000, 0.0008110700000000, -0.0002490500000000 ] - [ -0.0009937300000000, -0.0018073200000000, -0.0000407000000000 ] - [ -0.0008207200000000, -0.0031056900000000, -0.0001427500000000 ] - [ -0.0000766100000000, 0.0009790100000000, -0.0000093800000000 ] - [ -0.0004987900000000, 0.0017061800000000, -0.0001854900000000 ] - [ 0.0007567600000000, 0.0017811700000000, -0.0000415400000000 ] - [ 0.0006708300000000, 0.0009505700000000, -0.0000595400000000 ] - [ 0.0002885300000000, 0.0009454500000000, 0.0007942100000000 ] - [ -0.0006577400000000, 0.0008269000000000, 0.0006141300000000 ] - [ 0.0009835400000000, 0.0015829600000000, 0.0006412300000000 ] - [ -0.0004344000000000, 0.0004933800000000, -0.0000774600000000 ] - [ 0.0005813300000000, 0.0008210000000000, 0.0003146600000000 ] - [ -0.0006229400000000, 0.0021896600000000, 0.0001670300000000 ] - [ -0.0003322700000000, 0.0004541400000000, -0.0003751900000000 ] - [ 0.0021423900000000, 0.0024211100000000, 0.0003361100000000 ] - [ -0.0001015200000000, 0.0011827100000000, -0.0007060000000000 ] - [ -0.0002910300000000, 0.0010573400000000, -0.0007065200000000 ] - [ -0.0004163400000000, -0.0014278900000000, -0.0001129900000000 ] - [ 0.0019242100000000, -0.0027452200000000, 0.0003397400000000 ] - [ -0.0002685800000000, 0.0015316500000000, 0.0001943800000000 ] - [ 0.0002878900000000, 0.0021944400000000, 0.0003509200000000 ] - [ 0.0030959400000000, 0.0037444500000000, 0.0004025400000000 ] - [ 0.0000899800000000, -0.0002076600000000, -0.0003437300000000 ] - [ -0.0004348600000000, -0.0014268200000000, -0.0002673100000000 ] - [ 0.0014126700000000, -0.0078179700000000, 0.0004749600000000 ] - [ 0.0020067800000000, -0.0132262100000000, 0.0009141700000000 ] - [ -0.0000742900000000, -0.0011392300000000, 0.0002514300000000 ] - [ 0.0007802500000000, 0.0003228800000000, -0.0001046900000000 ] - [ 0.0000717200000000, 0.0008901900000000, -0.0003729200000000 ] - [ 0.0015139300000000, -0.0119528300000000, -0.0043909400000000 ] - [ -0.0000324200000000, -0.0014132700000000, -0.0004299600000000 ] - [ 0.0000711000000000, 0.0013648500000000, 0.0003131500000000 ] - [ -0.0003850200000000, 0.0021355700000000, 0.0002385400000000 ] - [ -0.0004543000000000, 0.0016886300000000, -0.0004284100000000 ] - [ 0.0002199500000000, 0.0009484600000000, -0.0000498100000000 ] - [ 0.0004861200000000, -0.0008820800000000, 0.0004546500000000 ] - [ -0.0012321900000000, -0.0024963300000000, -0.0002927300000000 ] - [ -0.0017074500000000, -0.0142742200000000, 0.0069012900000000 ] - [ -0.0003043300000000, -0.0003363700000000, -0.0002217900000000 ] - [ -0.0001865000000000, 0.0016613300000000, 0.0001183600000000 ] - [ -0.0002410200000000, 0.0005256200000000, 0.0001165300000000 ] - [ 0.0001412700000000, 0.0027405800000000, 0.0005266600000000 ] - [ 0.0004170900000000, 0.0001095700000000, -0.0000032700000000 ] - [ -0.0007901600000000, 0.0013638200000000, 0.0003012400000000 ] - [ 0.0000512100000000, 0.0007094000000000, 0.0003501500000000 ] - [ -0.0015988800000000, -0.0078368800000000, 0.0014722400000000 ] - [ 0.0003497000000000, -0.0014558900000000, 0.0007056500000000 ] - [ -0.0001770100000000, 0.0015801900000000, -0.0002439200000000 ] - [ 0.0000447300000000, 0.0008595400000000, -0.0001861600000000 ] - [ -0.0001896100000000, -0.0074683100000000, 0.0003783900000000 ] - [ -0.0003286400000000, -0.0001764900000000, -0.0003372800000000 ] - [ 0.0002249700000000, 0.0012754600000000, 0.0004796100000000 ] - [ 0.0000703000000000, 0.0011348900000000, 0.0003885600000000 ]- atom: 1 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ 0.0211876000000000, 0.0045501400000000, -0.0794244900000000 ] - [ -0.0006135100000000, 0.0003143000000000, -0.0003617400000000 ] - [ 0.0002860100000000, 0.0003936900000000, -0.0008276700000000 ] - [ -0.0043369400000000, 0.0044285300000000, -0.0006608300000000 ] - [ -0.0081890900000000, 0.0012283600000000, 0.0297654100000000 ] - [ 0.0004655200000000, 0.0007162300000000, 0.0000469800000000 ] - [ 0.0001014000000000, 0.0002620100000000, -0.0007003300000000 ] - [ -0.0051136000000000, -0.0044792000000000, -0.0004478100000000 ] - [ -0.0002804000000000, -0.0000682100000000, -0.0004666300000000 ] - [ -0.0005813100000000, -0.0000033300000000, 0.0003349800000000 ] - [ 0.0001241500000000, 0.0000182100000000, 0.0010681200000000 ] - [ 0.0053711900000000, 0.0033082300000000, 0.0011041600000000 ] - [ -0.0000203400000000, 0.0007020500000000, 0.0000102000000000 ] - [ -0.0000580700000000, 0.0006374800000000, 0.0000621200000000 ] - [ -0.0000163800000000, 0.0002402200000000, 0.0006364300000000 ] - [ 0.0002478200000000, 0.0002777600000000, -0.0003300300000000 ] - [ -0.0003321200000000, 0.0003396000000000, 0.0011550800000000 ] - [ -0.0000468400000000, 0.0003553600000000, 0.0001450900000000 ] - [ 0.0001250500000000, 0.0004582300000000, -0.0013361100000000 ] - [ -0.0002728600000000, 0.0005238000000000, -0.0002855400000000 ] - [ 0.0001848100000000, 0.0002955000000000, 0.0003031200000000 ] - [ 0.0002329300000000, 0.0002572500000000, 0.0002638700000000 ] - [ -0.0001969400000000, 0.0004597400000000, 0.0012589100000000 ] - [ 0.0034230800000000, -0.0022510000000000, 0.0015599400000000 ] - [ -0.0069492000000000, 0.0120676200000000, 0.0011000500000000 ] - [ -0.0001664900000000, 0.0000846900000000, -0.0002779200000000 ] - [ -0.0052991800000000, -0.0018648000000000, -0.0007004600000000 ] - [ 0.0012823900000000, -0.0000029400000000, -0.0028850200000000 ] - [ 0.0050971000000000, -0.0133094900000000, 0.0050881700000000 ] - [ -0.0004679800000000, -0.0006419300000000, 0.0002896600000000 ] - [ 0.0005138200000000, -0.0005530100000000, -0.0001233900000000 ] - [ 0.0003279500000000, -0.0006860200000000, 0.0000082000000000 ] - [ 0.0004504300000000, -0.0002865600000000, 0.0003432200000000 ] - [ 0.0007944100000000, -0.0007325800000000, -0.0000029000000000 ] - [ 0.0021126100000000, 0.0063041100000000, 0.0022397600000000 ] - [ -0.0008967600000000, -0.0000958200000000, 0.0006565300000000 ] - [ -0.0004830600000000, -0.0003503600000000, -0.0001607400000000 ] - [ -0.0004960700000000, -0.0003785600000000, -0.0001871600000000 ] - [ 0.0056839800000000, 0.0012343600000000, 0.0020964900000000 ] - [ -0.0003181600000000, -0.0002681300000000, 0.0022255000000000 ] - [ 0.0011106100000000, -0.0004823500000000, -0.0003787900000000 ] - [ 0.0007734900000000, -0.0001027100000000, -0.0001767300000000 ] - [ 0.0000170800000000, -0.0001759200000000, 0.0000387800000000 ] - [ 0.0001817800000000, 0.0000416400000000, -0.0000580800000000 ] - [ -0.0002784400000000, -0.0004211800000000, 0.0000849800000000 ] - [ -0.0003102000000000, -0.0003662100000000, 0.0000838400000000 ] - [ -0.0041467000000000, -0.0074869100000000, -0.0001987500000000 ] - [ -0.0006429500000000, -0.0007281300000000, -0.0004864000000000 ] - [ -0.0001247000000000, 0.0001275400000000, 0.0000842500000000 ] - [ -0.0015572600000000, -0.0003134300000000, 0.0052018500000000 ] - [ 0.0004978400000000, -0.0010925200000000, 0.0004363800000000 ] - [ -0.0000851500000000, 0.0000332100000000, 0.0007094600000000 ] - [ -0.0023136200000000, -0.0009068800000000, 0.0049182800000000 ] - [ 0.0000409700000000, 0.0001782500000000, 0.0000819600000000 ] - [ -0.0000407700000000, -0.0005762500000000, 0.0003662600000000 ] - [ 0.0000026100000000, -0.0006048000000000, 0.0002990700000000 ] - [ -0.0002141800000000, -0.0002708400000000, -0.0001399300000000 ] - [ -0.0001930700000000, -0.0002069800000000, -0.0001237600000000 ] - [ 0.0014997900000000, -0.0001126300000000, -0.0053835400000000 ] - [ 0.0000239600000000, -0.0001699400000000, -0.0007135500000000 ] - [ -0.0001282100000000, -0.0003413300000000, 0.0001970500000000 ] - [ 0.0000858900000000, 0.0001262100000000, 0.0000226500000000 ] - [ -0.0007589900000000, 0.0001359700000000, 0.0026881500000000 ] - [ 0.0010995000000000, -0.0001820300000000, 0.0004095100000000 ] - [ -0.0002170000000000, -0.0023903900000000, -0.0002802600000000 ] - [ -0.0004205200000000, -0.0006422800000000, -0.0003500400000000 ] - [ 0.0005412700000000, 0.0000030800000000, 0.0000772000000000 ] - [ 0.0005701700000000, 0.0000395800000000, 0.0000778300000000 ] - [ 0.0003432400000000, 0.0004158300000000, -0.0001457700000000 ] - [ 0.0001573100000000, 0.0000025200000000, -0.0000923400000000 ] - [ -0.0006294000000000, 0.0021054900000000, 0.0001922000000000 ] - [ -0.0003688900000000, 0.0001903000000000, 0.0002394200000000 ] - [ -0.0014914500000000, -0.0010490600000000, -0.0010767400000000 ] - [ 0.0001083100000000, 0.0002290800000000, -0.0003632600000000 ] - [ -0.0020004400000000, 0.0000744600000000, 0.0021281100000000 ] - [ -0.0001172200000000, 0.0001409100000000, -0.0006977000000000 ] - [ 0.0027262000000000, 0.0012072300000000, -0.0007168300000000 ] - [ 0.0000297500000000, -0.0000605500000000, 0.0000796100000000 ] - [ 0.0009535300000000, -0.0003505600000000, -0.0034839400000000 ] - [ 0.0000118300000000, -0.0003278600000000, -0.0000237300000000 ] - [ -0.0005133900000000, 0.0000048900000000, -0.0000619100000000 ] - [ -0.0002224100000000, -0.0002621900000000, -0.0009425400000000 ] - [ -0.0006278400000000, -0.0003019000000000, -0.0000012700000000 ] - [ -0.0007937700000000, -0.0005467100000000, 0.0002620600000000 ] - [ -0.0007320100000000, 0.0010674800000000, -0.0001071300000000 ] - [ 0.0002469200000000, 0.0001091900000000, -0.0003868000000000 ] - [ 0.0006040700000000, -0.0004808500000000, 0.0004568400000000 ] - [ 0.0002493800000000, -0.0006961000000000, 0.0011614000000000 ] - [ -0.0002968800000000, 0.0028271100000000, -0.0001650800000000 ] - [ -0.0001048000000000, 0.0005367200000000, -0.0001563100000000 ] - [ -0.0000798000000000, 0.0002399300000000, -0.0002649900000000 ] - [ -0.0000750200000000, 0.0001611700000000, -0.0002530400000000 ] - [ 0.0000622600000000, 0.0001801100000000, -0.0025982200000000 ] - [ -0.0019973000000000, 0.0002073100000000, -0.0003974900000000 ] - [ -0.0001263000000000, 0.0001793900000000, 0.0000094100000000 ] - [ -0.0001052300000000, 0.0001914400000000, -0.0000530100000000 ] - [ 0.0006412200000000, 0.0001928600000000, 0.0000064000000000 ] - [ 0.0006765600000000, 0.0001837200000000, -0.0000540100000000 ] - [ -0.0003373500000000, -0.0001094400000000, 0.0007478600000000 ] - [ -0.0002830000000000, -0.0001560100000000, 0.0006490100000000 ] - [ -0.0001068100000000, -0.0003059800000000, -0.0000564200000000 ] - [ 0.0000412800000000, 0.0000942300000000, 0.0000044900000000 ] - [ -0.0000271200000000, 0.0004666200000000, 0.0001269400000000 ] - [ 0.0002784200000000, 0.0004548900000000, -0.0005198600000000 ] - [ 0.0005409600000000, 0.0001096200000000, -0.0002185900000000 ] - [ 0.0000838200000000, 0.0000293300000000, 0.0006663300000000 ] - [ -0.0000792900000000, 0.0000698100000000, -0.0006721100000000 ] - [ -0.0001075100000000, 0.0000490500000000, -0.0006508400000000 ] - [ -0.0010638900000000, 0.0003149800000000, -0.0002742600000000 ] - [ 0.0012845200000000, -0.0002243100000000, -0.0024756200000000 ] - [ 0.0000419700000000, 0.0005283400000000, 0.0002167200000000 ] - [ -0.0000045900000000, 0.0005593300000000, 0.0002860100000000 ] - [ 0.0000957600000000, -0.0002072700000000, 0.0022666800000000 ] - [ 0.0008134800000000, -0.0003445300000000, -0.0002407700000000 ] - [ 0.0012136500000000, -0.0004830000000000, 0.0001070900000000 ] - [ -0.0009702000000000, -0.0002653900000000, 0.0055524600000000 ] - [ -0.0025441300000000, -0.0001872500000000, 0.0078377400000000 ] - [ -0.0002704100000000, -0.0005512700000000, 0.0002391000000000 ] - [ 0.0003845200000000, -0.0005012700000000, -0.0003213700000000 ] - [ 0.0002994000000000, -0.0004103900000000, -0.0002418700000000 ] - [ -0.0019313700000000, 0.0043219400000000, 0.0083281200000000 ] - [ 0.0000216000000000, -0.0006068000000000, -0.0003428900000000 ] - [ 0.0000423300000000, 0.0006454000000000, 0.0002868300000000 ] - [ -0.0000055600000000, 0.0006152600000000, 0.0003597400000000 ] - [ -0.0001830500000000, 0.0004023000000000, -0.0001108400000000 ] - [ -0.0000924900000000, 0.0002311200000000, -0.0001630800000000 ] - [ -0.0003461600000000, 0.0000495200000000, 0.0001531300000000 ] - [ 0.0007777700000000, 0.0003024400000000, -0.0035386800000000 ] - [ -0.0032830900000000, -0.0073336600000000, 0.0106460800000000 ] - [ -0.0000018200000000, 0.0005476200000000, -0.0002335800000000 ] - [ -0.0001848200000000, -0.0001031800000000, 0.0001060700000000 ] - [ -0.0001942100000000, -0.0001910600000000, 0.0001148400000000 ] - [ 0.0004249500000000, -0.0019536400000000, 0.0000731000000000 ] - [ 0.0003997400000000, -0.0000652100000000, 0.0000040100000000 ] - [ -0.0003376300000000, -0.0002612000000000, 0.0003028000000000 ] - [ -0.0003244600000000, -0.0000794200000000, 0.0002862000000000 ] - [ 0.0011496000000000, -0.0002904600000000, 0.0035743300000000 ] - [ 0.0001196200000000, 0.0000133100000000, 0.0009577100000000 ] - [ 0.0001095900000000, 0.0001649000000000, -0.0002420200000000 ] - [ 0.0000961900000000, 0.0001542200000000, -0.0001710500000000 ] - [ -0.0003918400000000, 0.0006300300000000, 0.0035347700000000 ] - [ -0.0000257100000000, 0.0006016500000000, -0.0003871700000000 ] - [ 0.0002141700000000, 0.0001459000000000, 0.0004417300000000 ] - [ 0.0002445800000000, 0.0001602800000000, 0.0004269500000000 ]- atom: 1 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0220847000000000, -0.0041632400000000, 0.0787826900000000 ] - [ 0.0002107400000000, 0.0003242800000000, -0.0001516600000000 ] - [ -0.0000739200000000, 0.0003534400000000, 0.0005642100000000 ] - [ 0.0045391500000000, -0.0036713500000000, 0.0003491300000000 ] - [ 0.0083053800000000, 0.0002649000000000, -0.0299147400000000 ] - [ -0.0003989200000000, 0.0007384600000000, -0.0001861900000000 ] - [ -0.0005132700000000, 0.0003264600000000, 0.0013924700000000 ] - [ 0.0046915100000000, 0.0050562000000000, 0.0010932200000000 ] - [ -0.0007690700000000, 0.0000726100000000, 0.0011683900000000 ] - [ -0.0004651500000000, 0.0000072900000000, 0.0003676200000000 ] - [ 0.0009323400000000, -0.0000188200000000, -0.0017676100000000 ] - [ -0.0043531700000000, -0.0033090900000000, -0.0017706100000000 ] - [ -0.0000421500000000, 0.0007534800000000, 0.0001328700000000 ] - [ -0.0000050100000000, 0.0008176700000000, 0.0000800200000000 ] - [ 0.0004225300000000, 0.0003550300000000, -0.0013307000000000 ] - [ 0.0001636900000000, 0.0003115800000000, -0.0003626900000000 ] - [ 0.0001202400000000, 0.0004042700000000, -0.0008911500000000 ] - [ -0.0001632500000000, 0.0003934800000000, 0.0001192200000000 ] - [ -0.0005008900000000, 0.0005793300000000, 0.0008199900000000 ] - [ -0.0001022500000000, 0.0005001800000000, -0.0002308800000000 ] - [ 0.0002237900000000, 0.0003447400000000, 0.0002100100000000 ] - [ 0.0001739500000000, 0.0003824500000000, 0.0002495800000000 ] - [ 0.0005809700000000, 0.0005671200000000, -0.0007406900000000 ] - [ -0.0030686500000000, 0.0032719800000000, -0.0010073100000000 ] - [ 0.0066751700000000, -0.0120719900000000, -0.0012203000000000 ] - [ -0.0001279900000000, -0.0000069100000000, 0.0000960300000000 ] - [ 0.0062901600000000, 0.0011566900000000, 0.0010637100000000 ] - [ -0.0002348800000000, -0.0007139800000000, 0.0032486600000000 ] - [ -0.0058069300000000, 0.0118243100000000, -0.0048684100000000 ] - [ -0.0003043400000000, -0.0007513400000000, -0.0000320300000000 ] - [ 0.0002610800000000, -0.0008388200000000, -0.0001374600000000 ] - [ 0.0004451000000000, -0.0007072100000000, -0.0002688800000000 ] - [ 0.0009547700000000, -0.0010859100000000, 0.0003756100000000 ] - [ 0.0006118800000000, -0.0006339900000000, 0.0007209300000000 ] - [ -0.0038246700000000, -0.0064371800000000, -0.0011982700000000 ] - [ -0.0008267000000000, -0.0000610000000000, 0.0003956600000000 ] - [ -0.0004936400000000, -0.0003589900000000, -0.0001816000000000 ] - [ -0.0004791600000000, -0.0003312100000000, -0.0001548500000000 ] - [ -0.0050714400000000, -0.0019152800000000, -0.0022439900000000 ] - [ 0.0008836200000000, -0.0004130600000000, -0.0023724600000000 ] - [ 0.0006148100000000, 0.0003178200000000, -0.0006820100000000 ] - [ 0.0009509200000000, -0.0000638200000000, -0.0008821200000000 ] - [ 0.0002860700000000, 0.0002582000000000, 0.0001531300000000 ] - [ 0.0001190700000000, 0.0000334100000000, 0.0002483000000000 ] - [ -0.0003172100000000, -0.0002662300000000, 0.0000643100000000 ] - [ -0.0002845900000000, -0.0003220100000000, 0.0000665000000000 ] - [ 0.0027452100000000, 0.0061437900000000, -0.0005161200000000 ] - [ -0.0007565700000000, -0.0006465100000000, -0.0002389200000000 ] - [ -0.0009973800000000, -0.0000618700000000, -0.0002502900000000 ] - [ 0.0004742400000000, 0.0003825300000000, -0.0053517600000000 ] - [ -0.0008298600000000, 0.0010617700000000, -0.0001870800000000 ] - [ -0.0002550400000000, -0.0000726100000000, -0.0004526200000000 ] - [ 0.0022907400000000, 0.0009540100000000, -0.0043728800000000 ] - [ 0.0001895800000000, 0.0001959200000000, -0.0001031200000000 ] - [ 0.0000105700000000, -0.0006468000000000, 0.0003833500000000 ] - [ -0.0000321100000000, -0.0006174400000000, 0.0004503800000000 ] - [ -0.0001776700000000, -0.0001655200000000, -0.0001072900000000 ] - [ -0.0001993900000000, -0.0002283500000000, -0.0001242200000000 ] - [ -0.0008899300000000, -0.0001249700000000, 0.0040993100000000 ] - [ 0.0006014700000000, -0.0000863300000000, -0.0005670600000000 ] - [ 0.0000004800000000, -0.0003563400000000, -0.0001947500000000 ] - [ -0.0002141000000000, -0.0008227400000000, -0.0000186300000000 ] - [ 0.0005611500000000, 0.0001599900000000, -0.0023471600000000 ] - [ -0.0013071500000000, 0.0004775900000000, -0.0000484800000000 ] - [ -0.0006381700000000, 0.0011265900000000, -0.0004523000000000 ] - [ -0.0004371000000000, -0.0006273900000000, -0.0003722100000000 ] - [ 0.0005783000000000, 0.0000617000000000, 0.0000849300000000 ] - [ 0.0005482200000000, 0.0000255400000000, 0.0000853500000000 ] - [ -0.0000067000000000, -0.0004501200000000, -0.0001125400000000 ] - [ 0.0001773400000000, -0.0000335200000000, -0.0001648800000000 ] - [ -0.0001510600000000, -0.0017575700000000, 0.0002762400000000 ] - [ -0.0004183900000000, 0.0001600800000000, 0.0002303400000000 ] - [ 0.0017460400000000, 0.0014639800000000, 0.0013461400000000 ] - [ 0.0001606000000000, 0.0001895700000000, 0.0006312700000000 ] - [ 0.0016620100000000, 0.0001675900000000, -0.0027432900000000 ] - [ -0.0003591600000000, 0.0001493300000000, -0.0002033900000000 ] - [ -0.0020391700000000, -0.0014256800000000, 0.0002370200000000 ] - [ 0.0006531800000000, -0.0001445800000000, -0.0005607700000000 ] - [ -0.0008238000000000, -0.0003574800000000, 0.0034815000000000 ] - [ 0.0001146400000000, -0.0003686000000000, 0.0000198300000000 ] - [ -0.0002582600000000, -0.0001451000000000, 0.0000851100000000 ] - [ -0.0005458700000000, 0.0001239100000000, 0.0009658600000000 ] - [ -0.0007732500000000, -0.0002911700000000, 0.0005649300000000 ] - [ -0.0006060800000000, -0.0000477400000000, 0.0002997500000000 ] - [ 0.0006637700000000, -0.0009123600000000, 0.0000098600000000 ] - [ -0.0003135300000000, 0.0000457600000000, 0.0002802200000000 ] - [ 0.0002515600000000, -0.0007889000000000, 0.0002633000000000 ] - [ 0.0006056200000000, -0.0005654900000000, -0.0004384700000000 ] - [ 0.0000794700000000, -0.0017272900000000, -0.0001397900000000 ] - [ -0.0001083800000000, 0.0005533600000000, -0.0001589200000000 ] - [ -0.0000824400000000, 0.0000678200000000, -0.0002571400000000 ] - [ -0.0000876400000000, 0.0001468200000000, -0.0002703800000000 ] - [ -0.0013997500000000, 0.0001707500000000, 0.0027090200000000 ] - [ 0.0006767800000000, 0.0001402700000000, 0.0004909000000000 ] - [ -0.0001060100000000, 0.0001947400000000, 0.0000110700000000 ] - [ -0.0001254600000000, 0.0001824300000000, 0.0000738400000000 ] - [ 0.0006883200000000, 0.0001550600000000, -0.0001198900000000 ] - [ 0.0006523000000000, 0.0001648200000000, -0.0000596400000000 ] - [ -0.0002883600000000, -0.0001467700000000, 0.0005303900000000 ] - [ -0.0003428800000000, -0.0000992000000000, 0.0006299000000000 ] - [ 0.0001740700000000, 0.0004560000000000, 0.0001652200000000 ] - [ 0.0000265000000000, 0.0000582600000000, 0.0001026800000000 ] - [ 0.0002378700000000, 0.0006226900000000, 0.0001883200000000 ] - [ -0.0000637800000000, 0.0006359400000000, 0.0008349100000000 ] - [ 0.0002447500000000, 0.0002411300000000, -0.0002528700000000 ] - [ 0.0006994600000000, 0.0003131400000000, -0.0011387000000000 ] - [ -0.0001216800000000, -0.0000049900000000, -0.0006780600000000 ] - [ -0.0000938500000000, 0.0000166500000000, -0.0006992000000000 ] - [ 0.0014521000000000, -0.0007482000000000, 0.0005236000000000 ] - [ -0.0008758100000000, -0.0002019400000000, 0.0027263300000000 ] - [ -0.0000053100000000, 0.0005683200000000, 0.0002047100000000 ] - [ 0.0000410600000000, 0.0005363100000000, 0.0001357900000000 ] - [ 0.0013061000000000, -0.0003814500000000, -0.0028300400000000 ] - [ 0.0005851100000000, -0.0002486600000000, -0.0003215700000000 ] - [ -0.0008204600000000, 0.0000824900000000, -0.0003387700000000 ] - [ 0.0013296800000000, -0.0001652600000000, -0.0057834100000000 ] - [ 0.0018470000000000, -0.0008428500000000, -0.0073927600000000 ] - [ -0.0004388500000000, -0.0004874200000000, 0.0001995600000000 ] - [ 0.0003226200000000, -0.0005376900000000, -0.0001163600000000 ] - [ 0.0004088300000000, -0.0006269000000000, -0.0001965500000000 ] - [ 0.0018735900000000, -0.0050652400000000, -0.0085750500000000 ] - [ 0.0000084800000000, -0.0006159200000000, -0.0004071200000000 ] - [ -0.0000011600000000, 0.0005777600000000, 0.0002723200000000 ] - [ 0.0000482200000000, 0.0006085300000000, 0.0001999700000000 ] - [ -0.0000791300000000, 0.0000180700000000, -0.0001569500000000 ] - [ -0.0001698000000000, 0.0001898100000000, -0.0001058300000000 ] - [ 0.0005037600000000, 0.0002586800000000, 0.0003711300000000 ] - [ -0.0005883500000000, -0.0000182400000000, 0.0040708000000000 ] - [ 0.0034690200000000, 0.0090400600000000, -0.0116258400000000 ] - [ -0.0000383200000000, 0.0005499200000000, -0.0001880800000000 ] - [ -0.0002103400000000, -0.0002993700000000, 0.0001224400000000 ] - [ -0.0002025400000000, -0.0002107300000000, 0.0001135900000000 ] - [ 0.0003494700000000, 0.0018087400000000, -0.0000913700000000 ] - [ 0.0003712000000000, -0.0000758300000000, -0.0000262200000000 ] - [ -0.0003583300000000, 0.0000489500000000, 0.0001704000000000 ] - [ -0.0003728900000000, -0.0001329900000000, 0.0001879900000000 ] - [ -0.0007046300000000, 0.0003069500000000, -0.0023873900000000 ] - [ 0.0000714000000000, 0.0000520100000000, 0.0003902800000000 ] - [ 0.0000960000000000, 0.0001304500000000, -0.0000961100000000 ] - [ 0.0001088700000000, 0.0001411900000000, -0.0001671400000000 ] - [ 0.0003891500000000, 0.0002870400000000, -0.0046397200000000 ] - [ -0.0000199000000000, 0.0006214300000000, -0.0001730000000000 ] - [ 0.0002627300000000, 0.0001427900000000, 0.0004609900000000 ] - [ 0.0002321800000000, 0.0001291400000000, 0.0004755800000000 ]- atom: 3 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ 0.0027899800000000, 0.0020005400000000, 0.0007244100000000 ] - [ 0.0008889700000000, -0.0071797900000000, -0.0045708400000000 ] - [ -0.0561465700000000, -0.0163936800000000, 0.0070424700000000 ] - [ 0.0040746000000000, 0.0004887700000000, 0.0006208300000000 ] - [ 0.0024370700000000, 0.0022680200000000, 0.0002847200000000 ] - [ -0.0018322200000000, -0.0043498800000000, 0.0042617300000000 ] - [ -0.0022595500000000, 0.0009353800000000, 0.0001435400000000 ] - [ 0.0010812400000000, 0.0004006900000000, 0.0005925300000000 ] - [ 0.0019076600000000, -0.0031933100000000, 0.0012449100000000 ] - [ 0.0015908700000000, 0.0057447900000000, -0.0028736100000000 ] - [ -0.0010085200000000, 0.0007546000000000, -0.0011603200000000 ] - [ 0.0018408800000000, -0.0002104500000000, 0.0001058100000000 ] - [ -0.0017382100000000, 0.0003382700000000, -0.0001605000000000 ] - [ 0.0011868800000000, 0.0009961800000000, 0.0003339500000000 ] - [ 0.0025308700000000, -0.0012521200000000, -0.0000025700000000 ] - [ -0.0030423700000000, 0.0055425100000000, 0.0037769500000000 ] - [ 0.0004061500000000, 0.0004463000000000, 0.0002712500000000 ] - [ -0.0006826800000000, 0.0005273500000000, 0.0000000000000000 ] - [ 0.0002690700000000, 0.0006657100000000, -0.0001314500000000 ] - [ -0.0006642700000000, 0.0005353300000000, -0.0004112700000000 ] - [ -0.0013606600000000, 0.0002309800000000, -0.0003939000000000 ] - [ 0.0014704800000000, 0.0004340700000000, 0.0006531000000000 ] - [ -0.0069248800000000, 0.0001429600000000, -0.0098250500000000 ] - [ 0.0038845300000000, 0.0007272100000000, 0.0016609100000000 ] - [ 0.0001858800000000, 0.0013668700000000, 0.0001332000000000 ] - [ 0.0000258700000000, -0.0010059800000000, -0.0001806400000000 ] - [ -0.0060075500000000, 0.0039021500000000, 0.0050126100000000 ] - [ 0.0025914300000000, -0.0009479000000000, 0.0007211900000000 ] - [ 0.0001797400000000, 0.0008575100000000, 0.0001138700000000 ] - [ -0.0002681700000000, -0.0023022500000000, 0.0003117500000000 ] - [ -0.0010201000000000, -0.0055610500000000, -0.0025312300000000 ] - [ 0.0029727200000000, 0.0002587700000000, 0.0005854000000000 ] - [ 0.0001443200000000, -0.0004513600000000, 0.0002102200000000 ] - [ 0.0012614700000000, -0.0007016400000000, 0.0005100900000000 ] - [ 0.0070830100000000, -0.0017760900000000, -0.0012343600000000 ] - [ 0.0142665600000000, 0.0023790600000000, 0.0057876000000000 ] - [ -0.0004638400000000, -0.0009945900000000, -0.0000244500000000 ] - [ -0.0002290800000000, 0.0005267700000000, -0.0002528400000000 ] - [ 0.0003443600000000, 0.0093582100000000, -0.0075875500000000 ] - [ 0.0031604200000000, -0.0012886600000000, 0.0007031500000000 ] - [ 0.0003117100000000, 0.0001821800000000, -0.0006784100000000 ] - [ 0.0014384800000000, -0.0001282400000000, -0.0003748900000000 ] - [ -0.0032440300000000, -0.0019060100000000, 0.0006772300000000 ] - [ 0.0022330900000000, 0.0006286200000000, 0.0005128700000000 ] - [ -0.0001596200000000, -0.0011302100000000, -0.0000115900000000 ] - [ -0.0000244800000000, 0.0009367100000000, 0.0002526700000000 ] - [ 0.0025170400000000, -0.0017986200000000, 0.0043400600000000 ] - [ 0.0005802200000000, -0.0004789300000000, -0.0002217400000000 ] - [ 0.0076406500000000, -0.0025138200000000, -0.0029970000000000 ] - [ -0.0021182000000000, 0.0001692000000000, -0.0005674400000000 ] - [ 0.0002498800000000, -0.0004578700000000, 0.0002514600000000 ] - [ -0.0006112800000000, 0.0002283800000000, -0.0000174200000000 ] - [ -0.0008303800000000, -0.0004705700000000, -0.0002383700000000 ] - [ 0.0012442100000000, 0.0020693600000000, 0.0000573600000000 ] - [ 0.0003774400000000, -0.0006264000000000, 0.0005125600000000 ] - [ -0.0003776400000000, -0.0006710000000000, 0.0002614300000000 ] - [ -0.0006162600000000, 0.0005977900000000, -0.0000706400000000 ] - [ -0.0003224800000000, -0.0022395600000000, -0.0004135900000000 ] - [ 0.0002935600000000, -0.0007607100000000, -0.0005803200000000 ] - [ 0.0000498400000000, 0.0005111600000000, -0.0008556600000000 ] - [ 0.0002054500000000, -0.0004356800000000, 0.0000579200000000 ] - [ -0.0003392400000000, -0.0003839800000000, -0.0000625200000000 ] - [ 0.0092855200000000, 0.0068554100000000, 0.0007685100000000 ] - [ -0.0014325900000000, 0.0002373500000000, 0.0000748800000000 ] - [ -0.0006056600000000, -0.0009458500000000, -0.0004490800000000 ] - [ -0.0002836700000000, -0.0003751400000000, -0.0002682600000000 ] - [ 0.0002419500000000, 0.0001052700000000, -0.0000269400000000 ] - [ 0.0009108700000000, -0.0001808300000000, 0.0002032400000000 ] - [ 0.0003998700000000, 0.0014149300000000, -0.0009313300000000 ] - [ -0.0008369900000000, -0.0009166100000000, -0.0004295900000000 ] - [ -0.0021926100000000, 0.0005508300000000, -0.0007917200000000 ] - [ 0.0013442000000000, -0.0002052500000000, 0.0020288300000000 ] - [ -0.0033827900000000, -0.0015112000000000, 0.0055816000000000 ] - [ -0.0028985500000000, 0.0007266700000000, -0.0011141000000000 ] - [ -0.0015787000000000, -0.0018206500000000, -0.0001580700000000 ] - [ -0.0014199800000000, 0.0018424000000000, -0.0008734700000000 ] - [ 0.0018100200000000, -0.0010146600000000, -0.0035092100000000 ] - [ -0.0013581400000000, 0.0004884400000000, -0.0007126600000000 ] - [ -0.0015534700000000, 0.0002526700000000, 0.0000340100000000 ] - [ -0.0010732200000000, -0.0011648500000000, -0.0046524200000000 ] - [ 0.0001382300000000, -0.0002821700000000, 0.0001076800000000 ] - [ -0.0008141000000000, -0.0000411500000000, -0.0000706000000000 ] - [ -0.0004948100000000, -0.0004266800000000, 0.0003542100000000 ] - [ -0.0009346400000000, -0.0002837100000000, 0.0002047500000000 ] - [ 0.0002987600000000, -0.0004462200000000, 0.0000190600000000 ] - [ -0.0004804600000000, 0.0004083700000000, -0.0001473600000000 ] - [ 0.0046711600000000, -0.0009444300000000, 0.0013141300000000 ] - [ -0.0007800900000000, -0.0004976700000000, -0.0000154600000000 ] - [ -0.0004348500000000, 0.0002581300000000, -0.0002080100000000 ] - [ 0.0002443300000000, 0.0008758600000000, -0.0001048600000000 ] - [ -0.0004783900000000, 0.0002491400000000, -0.0003467200000000 ] - [ 0.0003969400000000, -0.0001308000000000, -0.0001600100000000 ] - [ 0.0005202400000000, -0.0011020800000000, 0.0013639600000000 ] - [ -0.0015916600000000, 0.0006139100000000, -0.0004207600000000 ] - [ 0.0016759700000000, 0.0003674400000000, 0.0004278900000000 ] - [ -0.0011085600000000, 0.0003602500000000, -0.0002900900000000 ] - [ 0.0006478800000000, 0.0007477100000000, -0.0001068700000000 ] - [ 0.0003879900000000, -0.0006441600000000, -0.0000287900000000 ] - [ 0.0006273800000000, 0.0024764900000000, 0.0002536400000000 ] - [ -0.0014984200000000, -0.0006808500000000, 0.0005112700000000 ] - [ -0.0011557900000000, 0.0023511000000000, 0.0011113300000000 ] - [ -0.0026597200000000, -0.0017519200000000, -0.0010519800000000 ] - [ 0.0067508400000000, -0.0020760500000000, -0.0026276300000000 ] - [ -0.0014760500000000, 0.0005774300000000, -0.0001828000000000 ] - [ 0.0009274000000000, 0.0000480500000000, -0.0000600900000000 ] - [ -0.0000459400000000, 0.0001736900000000, -0.0003792000000000 ] - [ 0.0004891500000000, 0.0005635000000000, -0.0007112000000000 ] - [ -0.0006927300000000, -0.0003006900000000, -0.0007613400000000 ] - [ 0.0014618000000000, -0.0018488300000000, 0.0010108600000000 ] - [ -0.0006455500000000, 0.0000716300000000, -0.0000452600000000 ] - [ 0.0003978800000000, 0.0004986000000000, 0.0002745800000000 ] - [ -0.0003114300000000, 0.0005057600000000, 0.0001460200000000 ] - [ -0.0053196800000000, 0.0019651600000000, -0.0028079100000000 ] - [ -0.0024936600000000, -0.0009849800000000, 0.0013123100000000 ] - [ 0.0025566300000000, -0.0002189800000000, -0.0000401500000000 ] - [ -0.0007881400000000, -0.0001763600000000, -0.0004139800000000 ] - [ -0.0006076700000000, -0.0011961900000000, 0.0001039100000000 ] - [ -0.0004949500000000, 0.0004928200000000, 0.0003019000000000 ] - [ 0.0012202300000000, 0.0002829600000000, 0.0006582400000000 ] - [ -0.0005767000000000, -0.0008209700000000, -0.0006218400000000 ] - [ -0.0023621200000000, -0.0013266600000000, -0.0006333100000000 ] - [ 0.0079449500000000, 0.0000651600000000, -0.0004288300000000 ] - [ 0.0017847800000000, -0.0000375100000000, 0.0009036800000000 ] - [ -0.0010921200000000, 0.0008023900000000, 0.0000223600000000 ] - [ -0.0000730600000000, 0.0002891000000000, -0.0001106000000000 ] - [ -0.0002539200000000, 0.0000225400000000, -0.0001765700000000 ] - [ 0.0069471100000000, 0.0001493400000000, 0.0014800200000000 ] - [ -0.0017272000000000, 0.0002989900000000, -0.0001683600000000 ] - [ -0.0015693300000000, -0.0002099600000000, -0.0010681200000000 ] - [ 0.0004045000000000, 0.0013476400000000, 0.0008807000000000 ] - [ -0.0006705600000000, 0.0004723800000000, -0.0001454400000000 ] - [ 0.0003246700000000, -0.0014471800000000, 0.0003364900000000 ] - [ -0.0017844800000000, 0.0003927300000000, -0.0000201700000000 ] - [ 0.0172226100000000, 0.0089781600000000, 0.0010780300000000 ] - [ -0.0002363500000000, -0.0000175300000000, 0.0002487100000000 ] - [ -0.0005143700000000, -0.0002918600000000, 0.0002142600000000 ] - [ -0.0005578400000000, -0.0014729600000000, -0.0002362900000000 ] - [ -0.0006309500000000, 0.0006846400000000, 0.0006141600000000 ] - [ 0.0000320500000000, 0.0004152500000000, -0.0001539000000000 ] - [ 0.0001100400000000, -0.0002849200000000, -0.0002478200000000 ] - [ -0.0009227400000000, 0.0000375600000000, -0.0005319000000000 ] - [ 0.0010381100000000, 0.0016860700000000, 0.0002254300000000 ] - [ 0.0006693100000000, 0.0008154500000000, 0.0007654200000000 ] - [ -0.0004122700000000, -0.0002829200000000, 0.0002054500000000 ]- atom: 3 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ -0.0031948500000000, -0.0013731900000000, -0.0012391500000000 ] - [ -0.0013144800000000, 0.0077870000000000, 0.0040271600000000 ] - [ 0.0549594000000000, 0.0173170300000000, -0.0075875500000000 ] - [ -0.0038625900000000, 0.0002584200000000, -0.0008843100000000 ] - [ -0.0023693900000000, -0.0008210400000000, -0.0004219800000000 ] - [ 0.0018592300000000, 0.0057915900000000, -0.0043899400000000 ] - [ 0.0018472900000000, -0.0003379700000000, 0.0005490500000000 ] - [ -0.0014901600000000, 0.0001859500000000, 0.0001005800000000 ] - [ -0.0029528400000000, 0.0032181000000000, -0.0005454400000000 ] - [ -0.0026469900000000, -0.0057121200000000, 0.0035583300000000 ] - [ 0.0020580000000000, -0.0007438000000000, 0.0004586600000000 ] - [ -0.0007922000000000, 0.0002115900000000, -0.0008074100000000 ] - [ 0.0016760300000000, 0.0011079900000000, 0.0003033800000000 ] - [ -0.0012489500000000, 0.0004620600000000, -0.0001909100000000 ] - [ -0.0021173800000000, 0.0018486200000000, -0.0006863600000000 ] - [ 0.0034081300000000, -0.0049428900000000, -0.0044644700000000 ] - [ -0.0006145800000000, 0.0003019500000000, -0.0000066600000000 ] - [ 0.0004678200000000, 0.0002208400000000, 0.0002628500000000 ] - [ -0.0006431300000000, 0.0003571600000000, -0.0003844500000000 ] - [ 0.0002836000000000, 0.0004875200000000, -0.0001065600000000 ] - [ 0.0017659900000000, 0.0003987400000000, 0.0009061500000000 ] - [ -0.0010610700000000, 0.0002089800000000, -0.0001398300000000 ] - [ 0.0073080800000000, 0.0008932400000000, 0.0103680500000000 ] - [ -0.0035059600000000, 0.0002959600000000, -0.0011426200000000 ] - [ -0.0004850000000000, -0.0012893700000000, -0.0003167800000000 ] - [ -0.0003329400000000, 0.0010797400000000, -0.0000054600000000 ] - [ 0.0070252000000000, -0.0045849100000000, -0.0046426800000000 ] - [ -0.0016157100000000, 0.0002315700000000, -0.0003784000000000 ] - [ -0.0009471200000000, -0.0022532700000000, 0.0001454000000000 ] - [ -0.0005084200000000, 0.0009052400000000, -0.0000547100000000 ] - [ 0.0018320000000000, 0.0041545200000000, 0.0022795700000000 ] - [ -0.0021959700000000, -0.0016446600000000, -0.0008455000000000 ] - [ 0.0012621300000000, -0.0009199300000000, 0.0005080800000000 ] - [ 0.0001430700000000, -0.0006705300000000, 0.0002071400000000 ] - [ -0.0088578400000000, 0.0016286600000000, 0.0023178700000000 ] - [ -0.0158293000000000, -0.0025051200000000, -0.0046667000000000 ] - [ -0.0005073100000000, 0.0002830400000000, -0.0003163800000000 ] - [ -0.0007519900000000, -0.0012369800000000, -0.0000908000000000 ] - [ 0.0002976100000000, -0.0100846600000000, 0.0074714700000000 ] - [ -0.0025633700000000, 0.0005993200000000, -0.0008403900000000 ] - [ 0.0014167600000000, -0.0003459300000000, -0.0003804100000000 ] - [ 0.0002874500000000, -0.0000365500000000, -0.0006844600000000 ] - [ 0.0035778900000000, 0.0019399400000000, -0.0004696700000000 ] - [ -0.0019287600000000, -0.0005422400000000, -0.0003220000000000 ] - [ -0.0004302900000000, 0.0004426200000000, 0.0001626700000000 ] - [ -0.0005749900000000, -0.0016230100000000, -0.0001033400000000 ] - [ -0.0039113000000000, 0.0004287200000000, -0.0051041400000000 ] - [ -0.0019961000000000, -0.0008905100000000, -0.0005188000000000 ] - [ -0.0087653100000000, 0.0025269900000000, 0.0027902600000000 ] - [ 0.0009981700000000, -0.0001011400000000, 0.0004048100000000 ] - [ -0.0005880800000000, 0.0004239000000000, 0.0000047900000000 ] - [ 0.0002758300000000, -0.0002600700000000, 0.0002745600000000 ] - [ 0.0010603600000000, 0.0008469800000000, 0.0002165100000000 ] - [ -0.0010048800000000, -0.0016917300000000, -0.0000776300000000 ] - [ -0.0004074300000000, -0.0005944600000000, 0.0002373200000000 ] - [ 0.0003471100000000, -0.0005525500000000, 0.0004883600000000 ] - [ 0.0002223100000000, -0.0010363600000000, -0.0001776500000000 ] - [ -0.0000650200000000, 0.0018005800000000, 0.0001652500000000 ] - [ 0.0003295900000000, 0.0005049800000000, -0.0006993100000000 ] - [ 0.0005784000000000, -0.0007655500000000, -0.0004227900000000 ] - [ -0.0003346300000000, -0.0002621000000000, -0.0000560400000000 ] - [ 0.0002114500000000, -0.0003133900000000, 0.0000639700000000 ] - [ -0.0096711000000000, -0.0069367500000000, -0.0004858100000000 ] - [ 0.0012245100000000, 0.0000619000000000, 0.0002636500000000 ] - [ -0.0002513600000000, -0.0003240100000000, -0.0002730000000000 ] - [ -0.0005704400000000, -0.0008938800000000, -0.0004528000000000 ] - [ 0.0008752300000000, -0.0000401100000000, 0.0001894900000000 ] - [ 0.0002104200000000, 0.0002473200000000, -0.0000394000000000 ] - [ -0.0000833400000000, -0.0014518200000000, 0.0006737700000000 ] - [ 0.0011757800000000, 0.0008787800000000, 0.0001749800000000 ] - [ 0.0014070300000000, -0.0002052700000000, 0.0012666200000000 ] - [ -0.0021092100000000, 0.0005523000000000, -0.0015424900000000 ] - [ 0.0036149300000000, 0.0019391100000000, -0.0053427300000000 ] - [ 0.0031533700000000, -0.0003005600000000, 0.0013768100000000 ] - [ 0.0010954600000000, 0.0021180700000000, -0.0007452800000000 ] - [ 0.0009436900000000, -0.0015448500000000, -0.0000295900000000 ] - [ -0.0011494800000000, 0.0008016300000000, 0.0030343200000000 ] - [ 0.0020525800000000, -0.0006965800000000, 0.0002382900000000 ] - [ 0.0016821900000000, -0.0009514600000000, -0.0000422000000000 ] - [ 0.0012096600000000, 0.0004604200000000, 0.0046145900000000 ] - [ -0.0009083800000000, 0.0001395300000000, -0.0000848900000000 ] - [ 0.0000423700000000, -0.0000992400000000, 0.0000930800000000 ] - [ -0.0009070500000000, -0.0001688900000000, 0.0002089800000000 ] - [ -0.0004654100000000, -0.0003108500000000, 0.0003589000000000 ] - [ -0.0003691000000000, 0.0005985400000000, -0.0001265300000000 ] - [ 0.0004130800000000, -0.0002540200000000, 0.0000404900000000 ] - [ -0.0037943500000000, -0.0004094900000000, -0.0004893200000000 ] - [ 0.0016354400000000, -0.0007736400000000, 0.0007375600000000 ] - [ 0.0002206900000000, 0.0008318200000000, -0.0001072700000000 ] - [ -0.0004550000000000, 0.0002141200000000, -0.0002096800000000 ] - [ 0.0003150400000000, 0.0000586700000000, -0.0001764500000000 ] - [ -0.0005562200000000, 0.0004397500000000, -0.0003621900000000 ] - [ -0.0018579900000000, 0.0014492000000000, -0.0012583600000000 ] - [ 0.0002621400000000, -0.0002613300000000, 0.0005334000000000 ] - [ -0.0019024000000000, 0.0000180500000000, -0.0004055600000000 ] - [ 0.0008757100000000, 0.0000119400000000, 0.0003106100000000 ] - [ 0.0006781200000000, -0.0003993400000000, -0.0000072200000000 ] - [ 0.0009428900000000, 0.0009912100000000, -0.0000841000000000 ] - [ -0.0012724800000000, -0.0027291800000000, 0.0010257300000000 ] - [ 0.0008716300000000, 0.0004209100000000, 0.0007677300000000 ] - [ 0.0012186600000000, -0.0022160500000000, -0.0010164200000000 ] - [ 0.0027244700000000, 0.0018919000000000, 0.0011560300000000 ] - [ -0.0064958100000000, 0.0031711700000000, 0.0029610400000000 ] - [ 0.0016865300000000, 0.0005099300000000, 0.0004967300000000 ] - [ -0.0001402800000000, 0.0003001800000000, -0.0004104000000000 ] - [ 0.0008310600000000, 0.0001765500000000, -0.0000918700000000 ] - [ -0.0006950000000000, -0.0004929900000000, -0.0006403800000000 ] - [ 0.0004923400000000, 0.0003643500000000, -0.0005889200000000 ] - [ -0.0010725500000000, 0.0014042500000000, -0.0007619800000000 ] - [ 0.0010361000000000, -0.0005042500000000, 0.0002923000000000 ] - [ -0.0003614600000000, 0.0006006800000000, 0.0001467000000000 ] - [ 0.0003477600000000, 0.0005908400000000, 0.0002752100000000 ] - [ 0.0067552900000000, -0.0025815300000000, 0.0022717400000000 ] - [ 0.0038739000000000, 0.0003812100000000, -0.0018612900000000 ] - [ -0.0021579800000000, -0.0001929700000000, -0.0001896500000000 ] - [ 0.0011822900000000, -0.0002220700000000, 0.0001852300000000 ] - [ -0.0001016500000000, 0.0001590700000000, 0.0003338800000000 ] - [ -0.0002103200000000, -0.0015291200000000, 0.0001366800000000 ] - [ -0.0005186200000000, -0.0013066100000000, -0.0011012400000000 ] - [ 0.0012828800000000, -0.0002202100000000, 0.0001830000000000 ] - [ 0.0023996300000000, 0.0001103100000000, -0.0001192200000000 ] - [ -0.0072560800000000, -0.0015946400000000, -0.0002050700000000 ] - [ -0.0017349200000000, 0.0012718800000000, -0.0003426000000000 ] - [ 0.0011331800000000, 0.0004188200000000, 0.0005364500000000 ] - [ -0.0001913100000000, 0.0001326200000000, -0.0001586800000000 ] - [ -0.0000070200000000, 0.0003987400000000, -0.0000914700000000 ] - [ -0.0067655100000000, 0.0001899300000000, -0.0010187300000000 ] - [ 0.0018858400000000, 0.0000116400000000, 0.0006903300000000 ] - [ 0.0015307900000000, 0.0013128500000000, 0.0006521000000000 ] - [ -0.0004271400000000, -0.0002447400000000, -0.0012890300000000 ] - [ 0.0002723800000000, -0.0008756500000000, 0.0003737400000000 ] - [ -0.0007153200000000, 0.0010446100000000, -0.0001060800000000 ] - [ 0.0025609700000000, -0.0005391600000000, -0.0000049900000000 ] - [ -0.0157365700000000, -0.0084602000000000, -0.0009961100000000 ] - [ -0.0004621300000000, -0.0001935800000000, 0.0002246100000000 ] - [ -0.0001806900000000, 0.0000802400000000, 0.0002597400000000 ] - [ 0.0007517300000000, 0.0015379900000000, 0.0015845300000000 ] - [ 0.0008353100000000, -0.0006157500000000, 0.0007383500000000 ] - [ 0.0001722900000000, -0.0001190600000000, -0.0001846900000000 ] - [ 0.0000981100000000, 0.0005798300000000, -0.0000896400000000 ] - [ 0.0008786600000000, 0.0011875500000000, -0.0000275000000000 ] - [ -0.0010736000000000, -0.0004619100000000, -0.0007814300000000 ] - [ -0.0001970700000000, -0.0005224200000000, 0.0001363500000000 ] - [ 0.0008896300000000, 0.0005702400000000, 0.0006979300000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024694800000000, -0.0004098200000000, 0.0004747000000000 ] - [ -0.0074691100000000, 0.0043419200000000, 0.0019891700000000 ] - [ -0.0167053900000000, -0.0988860100000000, -0.0026272900000000 ] - [ 0.0002211900000000, -0.0020287300000000, -0.0000424200000000 ] - [ 0.0019777400000000, -0.0006041000000000, 0.0004303800000000 ] - [ -0.0056303400000000, 0.0023397400000000, -0.0053133700000000 ] - [ -0.0001389300000000, 0.0057096200000000, 0.0004732000000000 ] - [ -0.0001715700000000, 0.0014277600000000, 0.0003784200000000 ] - [ -0.0032644900000000, -0.0003244700000000, -0.0003123000000000 ] - [ 0.0051580600000000, 0.0029400500000000, -0.0017799700000000 ] - [ 0.0009837800000000, 0.0038391300000000, -0.0002980000000000 ] - [ 0.0002928200000000, 0.0010169600000000, -0.0004345300000000 ] - [ -0.0000979400000000, 0.0056724600000000, -0.0000334000000000 ] - [ 0.0003260300000000, 0.0020426700000000, 0.0001349000000000 ] - [ -0.0012145900000000, -0.0006025600000000, -0.0007403000000000 ] - [ 0.0055837900000000, 0.0037640500000000, 0.0066462800000000 ] - [ -0.0001792700000000, 0.0024135800000000, 0.0001376600000000 ] - [ -0.0002569100000000, 0.0036144700000000, 0.0000749200000000 ] - [ -0.0002437500000000, 0.0025887700000000, -0.0002734900000000 ] - [ -0.0004106500000000, 0.0035621200000000, -0.0002719900000000 ] - [ 0.0003074900000000, 0.0041964900000000, 0.0003168800000000 ] - [ 0.0003665900000000, 0.0014176200000000, 0.0003192000000000 ] - [ -0.0000571200000000, -0.0161102100000000, -0.0004224100000000 ] - [ 0.0002629900000000, -0.0017612300000000, 0.0002525200000000 ] - [ 0.0010411900000000, 0.0019618100000000, 0.0003462400000000 ] - [ -0.0012845400000000, 0.0018679200000000, -0.0003207300000000 ] - [ 0.0048563100000000, 0.0050867000000000, 0.0125878000000000 ] - [ -0.0002714900000000, -0.0015501100000000, -0.0000326200000000 ] - [ 0.0009365600000000, 0.0012000100000000, 0.0003636600000000 ] - [ -0.0018869700000000, 0.0014868500000000, -0.0002728100000000 ] - [ -0.0054857800000000, 0.0055952800000000, 0.0028251200000000 ] - [ 0.0017389100000000, -0.0007249000000000, 0.0002415700000000 ] - [ 0.0007113400000000, 0.0022057900000000, 0.0003384600000000 ] - [ 0.0007267700000000, 0.0008401800000000, 0.0003256700000000 ] - [ -0.0011447400000000, -0.0051810300000000, 0.0012524400000000 ] - [ 0.0026194700000000, -0.0106483100000000, 0.0017371300000000 ] - [ -0.0015033400000000, 0.0014766200000000, -0.0006131000000000 ] - [ 0.0004044700000000, 0.0016608400000000, -0.0000261000000000 ] - [ 0.0107159400000000, 0.0057226500000000, -0.0089098400000000 ] - [ -0.0008849000000000, -0.0014453200000000, -0.0003841000000000 ] - [ 0.0008479900000000, 0.0027139300000000, -0.0005189500000000 ] - [ 0.0008521100000000, 0.0014456000000000, -0.0005092300000000 ] - [ -0.0032779900000000, 0.0065857000000000, -0.0054498300000000 ] - [ 0.0011015900000000, -0.0002916700000000, 0.0002698900000000 ] - [ -0.0013899800000000, 0.0014786400000000, -0.0000308600000000 ] - [ 0.0006502200000000, 0.0020696800000000, 0.0003884300000000 ] - [ -0.0010234300000000, -0.0056640500000000, -0.0012701900000000 ] - [ -0.0002521500000000, -0.0054091400000000, -0.0002768700000000 ] - [ -0.0018253700000000, 0.0105194200000000, 0.0029279000000000 ] - [ -0.0008392200000000, 0.0009521800000000, -0.0001747100000000 ] - [ -0.0004943100000000, -0.0014640400000000, -0.0000363100000000 ] - [ 0.0001934900000000, -0.0007674700000000, 0.0002291500000000 ] - [ -0.0006020700000000, -0.0001304600000000, -0.0001553600000000 ] - [ 0.0015166500000000, -0.0022161600000000, 0.0004405100000000 ] - [ 0.0000062800000000, -0.0025210700000000, 0.0004111500000000 ] - [ -0.0000714000000000, -0.0013862200000000, 0.0003872200000000 ] - [ 0.0003792200000000, -0.0005118900000000, -0.0001497100000000 ] - [ -0.0014564700000000, -0.0022677300000000, -0.0003373700000000 ] - [ -0.0002820700000000, -0.0008763600000000, -0.0007932700000000 ] - [ 0.0010233200000000, -0.0010124500000000, -0.0002847000000000 ] - [ -0.0001695600000000, -0.0021830900000000, -0.0000246900000000 ] - [ -0.0001016000000000, -0.0011731600000000, -0.0000152800000000 ] - [ 0.0067818400000000, 0.0158219100000000, 0.0021826300000000 ] - [ 0.0003747400000000, 0.0009286500000000, 0.0002261300000000 ] - [ -0.0007335200000000, -0.0017135300000000, -0.0004946400000000 ] - [ -0.0003727400000000, -0.0020569600000000, -0.0004334700000000 ] - [ 0.0006279400000000, -0.0008108700000000, 0.0001009900000000 ] - [ 0.0001824200000000, -0.0014955200000000, -0.0000433100000000 ] - [ 0.0026989700000000, 0.0007863600000000, 0.0013631600000000 ] - [ -0.0009545700000000, 0.0007257600000000, -0.0006441800000000 ] - [ 0.0001898100000000, 0.0012653300000000, 0.0005503300000000 ] - [ -0.0016805600000000, 0.0026688000000000, 0.0003049200000000 ] - [ -0.0026927000000000, 0.0059010400000000, 0.0017906400000000 ] - [ 0.0005245600000000, 0.0018674500000000, 0.0003863000000000 ] - [ -0.0028578100000000, -0.0009949300000000, -0.0001136700000000 ] - [ 0.0012654900000000, -0.0001587600000000, 0.0000337200000000 ] - [ -0.0011144800000000, 0.0050991500000000, -0.0027018200000000 ] - [ 0.0004258900000000, 0.0012826400000000, -0.0002937900000000 ] - [ -0.0001783000000000, 0.0015501200000000, -0.0000594000000000 ] - [ -0.0007967800000000, 0.0042387900000000, -0.0010217800000000 ] - [ -0.0000672400000000, -0.0019301400000000, 0.0000916200000000 ] - [ -0.0002601200000000, -0.0007929200000000, 0.0000033000000000 ] - [ -0.0008437700000000, -0.0016591800000000, 0.0002464700000000 ] - [ -0.0007143100000000, -0.0010544700000000, 0.0002833300000000 ] - [ -0.0003628900000000, -0.0013535200000000, -0.0000772000000000 ] - [ 0.0004095000000000, -0.0007722100000000, 0.0000594400000000 ] - [ 0.0004819300000000, 0.0171616600000000, -0.0131558000000000 ] - [ 0.0001520300000000, 0.0003154200000000, 0.0002650500000000 ] - [ -0.0003802000000000, -0.0004260400000000, -0.0001695600000000 ] - [ 0.0001719200000000, -0.0011736700000000, 0.0000014800000000 ] - [ -0.0000063400000000, -0.0006440100000000, -0.0002609500000000 ] - [ -0.0004807300000000, -0.0014286300000000, -0.0003674900000000 ] - [ -0.0020074300000000, -0.0002216000000000, -0.0002639900000000 ] - [ -0.0001778100000000, 0.0005764300000000, 0.0002590200000000 ] - [ -0.0001364900000000, -0.0027379200000000, -0.0006967500000000 ] - [ -0.0001030300000000, 0.0000124000000000, 0.0000087400000000 ] - [ 0.0013263800000000, -0.0008348800000000, 0.0001151200000000 ] - [ 0.0000763200000000, -0.0010690700000000, -0.0001144900000000 ] - [ 0.0027277200000000, -0.0040396100000000, 0.0014401100000000 ] - [ -0.0011008000000000, -0.0001934500000000, 0.0005546900000000 ] - [ 0.0030021300000000, 0.0013175500000000, -0.0001451700000000 ] - [ -0.0024533600000000, 0.0003665700000000, -0.0008161300000000 ] - [ -0.0023288300000000, 0.0161352300000000, 0.0092655900000000 ] - [ -0.0001069300000000, 0.0014669000000000, 0.0001481600000000 ] - [ 0.0007066400000000, -0.0016129500000000, -0.0001701700000000 ] - [ 0.0004619500000000, -0.0005300200000000, -0.0001891400000000 ] - [ 0.0007755000000000, -0.0016128000000000, -0.0001010300000000 ] - [ -0.0005281800000000, -0.0003983200000000, -0.0007483200000000 ] - [ -0.0001367400000000, -0.0036389800000000, 0.0013371900000000 ] - [ 0.0003860700000000, -0.0003826800000000, 0.0001392300000000 ] - [ 0.0001372400000000, -0.0014116100000000, 0.0002305900000000 ] - [ 0.0000211600000000, -0.0002368200000000, 0.0001916000000000 ] - [ 0.0022425900000000, 0.0029390200000000, 0.0000231400000000 ] - [ -0.0006820600000000, 0.0024681900000000, 0.0001278800000000 ] - [ 0.0008406000000000, -0.0034856400000000, -0.0013439300000000 ] - [ 0.0001094900000000, -0.0002995700000000, -0.0000993600000000 ] - [ -0.0009066000000000, -0.0013113300000000, 0.0000755300000000 ] - [ 0.0003668300000000, -0.0019529700000000, 0.0002219200000000 ] - [ 0.0010812700000000, -0.0020755600000000, -0.0000715000000000 ] - [ -0.0000241000000000, -0.0004446500000000, -0.0004224600000000 ] - [ -0.0006335500000000, 0.0007292200000000, -0.0004941900000000 ] - [ 0.0007894500000000, 0.0075976100000000, 0.0000353700000000 ] - [ -0.0004981000000000, -0.0023109200000000, 0.0010078900000000 ] - [ 0.0001903400000000, 0.0004180600000000, 0.0003167900000000 ] - [ -0.0001428300000000, -0.0010172900000000, -0.0001169200000000 ] - [ -0.0003354400000000, -0.0008523100000000, -0.0001474400000000 ] - [ 0.0003459100000000, 0.0094566200000000, -0.0014708900000000 ] - [ -0.0001831600000000, 0.0009806000000000, 0.0001820000000000 ] - [ -0.0005636900000000, 0.0019155700000000, -0.0004094600000000 ] - [ 0.0019665700000000, 0.0035291000000000, -0.0000134600000000 ] - [ 0.0002794200000000, -0.0005513100000000, 0.0003731500000000 ] - [ -0.0007875200000000, -0.0016337000000000, -0.0002452800000000 ] - [ 0.0010627900000000, 0.0010506800000000, -0.0000215300000000 ] - [ 0.0069379500000000, 0.0126902200000000, 0.0003364800000000 ] - [ -0.0003213500000000, -0.0013569700000000, 0.0002103700000000 ] - [ -0.0005298400000000, -0.0011221200000000, 0.0001542800000000 ] - [ -0.0019919300000000, -0.0011369800000000, -0.0009165800000000 ] - [ 0.0013064200000000, 0.0000414600000000, 0.0008882200000000 ] - [ 0.0005706900000000, -0.0007992100000000, -0.0000327000000000 ] - [ -0.0000234900000000, -0.0009995300000000, -0.0002704400000000 ] - [ -0.0006520000000000, 0.0003393400000000, -0.0004965800000000 ] - [ 0.0007189400000000, -0.0006228700000000, -0.0001061900000000 ] - [ 0.0012471800000000, -0.0014975800000000, 0.0003990700000000 ] - [ -0.0002965900000000, -0.0003927600000000, 0.0002650600000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0028829500000000, 0.0010587900000000, -0.0009888800000000 ] - [ 0.0071016900000000, -0.0036878000000000, -0.0025206400000000 ] - [ 0.0170091800000000, 0.0998825700000000, 0.0025506600000000 ] - [ -0.0000106400000000, 0.0027762100000000, -0.0002210900000000 ] - [ -0.0019141100000000, 0.0020710300000000, -0.0005728200000000 ] - [ 0.0057117900000000, -0.0008617500000000, 0.0051925500000000 ] - [ -0.0002717300000000, -0.0051367700000000, 0.0002192800000000 ] - [ -0.0002387100000000, -0.0008347100000000, 0.0003150000000000 ] - [ 0.0022066500000000, 0.0003133100000000, 0.0010119300000000 ] - [ -0.0061835000000000, -0.0029475500000000, 0.0024779900000000 ] - [ 0.0000629500000000, -0.0038354100000000, -0.0004044400000000 ] - [ 0.0007555300000000, -0.0010080000000000, -0.0002677300000000 ] - [ 0.0000367000000000, -0.0042029500000000, 0.0001760800000000 ] - [ -0.0003887600000000, -0.0005909700000000, 0.0000077500000000 ] - [ 0.0016235400000000, 0.0011824200000000, 0.0000465600000000 ] - [ -0.0051461900000000, -0.0031864300000000, -0.0073013500000000 ] - [ -0.0000342400000000, -0.0016650300000000, 0.0001253400000000 ] - [ 0.0000492100000000, -0.0028672400000000, 0.0001908600000000 ] - [ -0.0001369000000000, -0.0015651000000000, -0.0002437200000000 ] - [ 0.0000368100000000, -0.0025404800000000, -0.0002445100000000 ] - [ 0.0001005800000000, -0.0035556200000000, 0.0001951300000000 ] - [ 0.0000410100000000, -0.0007819000000000, 0.0001933800000000 ] - [ 0.0004365900000000, 0.0171154100000000, 0.0009394200000000 ] - [ 0.0001127700000000, 0.0027827300000000, 0.0002629700000000 ] - [ -0.0013485100000000, -0.0018831300000000, -0.0005330400000000 ] - [ 0.0009819000000000, -0.0017858700000000, 0.0001349700000000 ] - [ -0.0039039500000000, -0.0058018700000000, -0.0123552600000000 ] - [ 0.0012487400000000, 0.0008474600000000, 0.0003761000000000 ] - [ -0.0017131500000000, -0.0025914200000000, -0.0001062900000000 ] - [ 0.0011258800000000, -0.0028796900000000, 0.0005320800000000 ] - [ 0.0062244400000000, -0.0069767600000000, -0.0030400800000000 ] - [ -0.0009654600000000, -0.0006743000000000, -0.0005025100000000 ] - [ 0.0006934400000000, -0.0035752800000000, 0.0003803900000000 ] - [ 0.0006792400000000, -0.0022104500000000, 0.0003939100000000 ] - [ -0.0005526300000000, 0.0050128400000000, -0.0002045900000000 ] - [ -0.0043877100000000, 0.0104646200000000, -0.0006929500000000 ] - [ 0.0005231600000000, -0.0021910500000000, 0.0002699600000000 ] - [ -0.0013760600000000, -0.0023758900000000, -0.0003131300000000 ] - [ -0.0102118500000000, -0.0064154300000000, 0.0088581400000000 ] - [ 0.0014750200000000, 0.0007701700000000, 0.0002423500000000 ] - [ 0.0008761400000000, -0.0028785500000000, -0.0005397900000000 ] - [ 0.0008754600000000, -0.0016100400000000, -0.0005493900000000 ] - [ 0.0035690400000000, -0.0064951500000000, 0.0055822200000000 ] - [ -0.0008030600000000, 0.0003645300000000, -0.0000799600000000 ] - [ 0.0007875400000000, -0.0021670100000000, 0.0001814700000000 ] - [ -0.0012432500000000, -0.0027572400000000, -0.0002384600000000 ] - [ -0.0003631100000000, 0.0042858900000000, 0.0005587900000000 ] - [ -0.0011610100000000, 0.0040346900000000, -0.0004570800000000 ] - [ 0.0008114600000000, -0.0106587800000000, -0.0033940000000000 ] - [ -0.0002802300000000, -0.0008878300000000, 0.0000125500000000 ] - [ 0.0001601200000000, 0.0014303000000000, 0.0002945900000000 ] - [ -0.0005309600000000, 0.0007320100000000, 0.0000273500000000 ] - [ 0.0008363400000000, 0.0005024800000000, 0.0001333000000000 ] - [ -0.0012997700000000, 0.0025995900000000, -0.0004676100000000 ] - [ -0.0000377300000000, 0.0012979200000000, 0.0003387500000000 ] - [ 0.0000401700000000, 0.0001651600000000, 0.0003635100000000 ] - [ -0.0007678300000000, 0.0000808400000000, -0.0000970500000000 ] - [ 0.0010605300000000, 0.0018342100000000, 0.0000899300000000 ] - [ 0.0009108600000000, 0.0006175700000000, -0.0004844700000000 ] - [ -0.0003981100000000, 0.0007537900000000, -0.0009955600000000 ] - [ 0.0000399700000000, 0.0014859900000000, 0.0000266700000000 ] - [ -0.0000286300000000, 0.0004748600000000, 0.0000164000000000 ] - [ -0.0075915500000000, -0.0163492300000000, -0.0020235500000000 ] - [ -0.0005822500000000, -0.0006337400000000, 0.0001110000000000 ] - [ -0.0001199700000000, 0.0004410500000000, -0.0002266000000000 ] - [ -0.0004833600000000, 0.0007839800000000, -0.0002887500000000 ] - [ 0.0004928100000000, 0.0008782300000000, 0.0000618400000000 ] - [ 0.0009355400000000, 0.0015624700000000, 0.0002050800000000 ] - [ -0.0023595800000000, -0.0008098500000000, -0.0016155200000000 ] - [ 0.0012913100000000, -0.0007538400000000, 0.0003870800000000 ] - [ -0.0009751400000000, -0.0009131700000000, -0.0000812900000000 ] - [ 0.0009007600000000, -0.0023087800000000, 0.0001676700000000 ] - [ 0.0029353200000000, -0.0055104700000000, -0.0015127300000000 ] - [ -0.0002530300000000, -0.0014462100000000, -0.0001178700000000 ] - [ 0.0023904800000000, 0.0012860200000000, -0.0007933000000000 ] - [ -0.0017437100000000, 0.0004430700000000, -0.0009387200000000 ] - [ 0.0018022300000000, -0.0053322900000000, 0.0022189800000000 ] - [ 0.0002728600000000, -0.0014961500000000, -0.0001776900000000 ] - [ 0.0003039100000000, -0.0022441800000000, 0.0000570700000000 ] - [ 0.0009379400000000, -0.0049259300000000, 0.0010324600000000 ] - [ -0.0007053100000000, 0.0017888400000000, -0.0000707200000000 ] - [ -0.0005113900000000, 0.0006488000000000, 0.0000189300000000 ] - [ -0.0005572300000000, 0.0010625200000000, 0.0003168000000000 ] - [ -0.0006882900000000, 0.0004567400000000, 0.0002787800000000 ] - [ 0.0002977300000000, 0.0015057200000000, -0.0000296400000000 ] - [ -0.0004791100000000, 0.0009219800000000, -0.0001668300000000 ] - [ 0.0003756400000000, -0.0180754600000000, 0.0132126100000000 ] - [ 0.0007030700000000, -0.0015846100000000, 0.0004563700000000 ] - [ 0.0001695200000000, 0.0015130900000000, -0.0001447200000000 ] - [ -0.0003864700000000, 0.0022629700000000, -0.0003165000000000 ] - [ -0.0001531100000000, 0.0009541300000000, -0.0002604500000000 ] - [ 0.0003172000000000, 0.0017368600000000, -0.0001549000000000 ] - [ 0.0006778700000000, 0.0005589900000000, 0.0003774200000000 ] - [ -0.0011518400000000, -0.0002290200000000, -0.0001452300000000 ] - [ -0.0000968600000000, 0.0031078700000000, 0.0007065100000000 ] - [ -0.0001299700000000, 0.0003651700000000, 0.0000124300000000 ] - [ 0.0000073400000000, 0.0011854000000000, -0.0002273200000000 ] - [ 0.0012517300000000, 0.0014212200000000, 0.0000013700000000 ] - [ -0.0033249900000000, 0.0037538500000000, -0.0001532500000000 ] - [ 0.0004739800000000, -0.0000605900000000, 0.0007235300000000 ] - [ -0.0029274900000000, -0.0011546700000000, 0.0002502600000000 ] - [ 0.0025243500000000, -0.0002093500000000, 0.0009255600000000 ] - [ 0.0023624600000000, -0.0146139200000000, -0.0083826300000000 ] - [ 0.0003187400000000, -0.0003766800000000, 0.0001663300000000 ] - [ 0.0000768500000000, 0.0019623900000000, -0.0003002700000000 ] - [ 0.0003234300000000, 0.0008768300000000, -0.0002817300000000 ] - [ -0.0009757000000000, 0.0016793700000000, -0.0012467600000000 ] - [ 0.0003249800000000, 0.0004682900000000, -0.0006039800000000 ] - [ 0.0005321200000000, 0.0032141700000000, -0.0011041500000000 ] - [ 0.0000047700000000, -0.0000554100000000, 0.0001070500000000 ] - [ -0.0001021000000000, 0.0025084900000000, 0.0001902600000000 ] - [ 0.0000143500000000, 0.0013357600000000, 0.0002285700000000 ] - [ -0.0008644200000000, -0.0035213700000000, -0.0005937900000000 ] - [ 0.0020885900000000, -0.0030589900000000, -0.0006920400000000 ] - [ -0.0004538000000000, 0.0030940200000000, 0.0011310700000000 ] - [ 0.0002842800000000, -0.0001027000000000, -0.0001285800000000 ] - [ 0.0002040000000000, 0.0002716800000000, 0.0003636100000000 ] - [ -0.0010748800000000, 0.0009129100000000, 0.0002176000000000 ] - [ -0.0003769400000000, 0.0010508500000000, -0.0003675800000000 ] - [ 0.0007297800000000, -0.0005902200000000, -0.0000158300000000 ] - [ 0.0006621600000000, -0.0019562900000000, -0.0002579600000000 ] - [ -0.0005861500000000, -0.0089200400000000, -0.0007529700000000 ] - [ 0.0005312500000000, 0.0035269700000000, -0.0004399200000000 ] - [ -0.0001499500000000, 0.0008081900000000, 0.0002411200000000 ] - [ -0.0001178800000000, 0.0014393700000000, -0.0001498700000000 ] - [ 0.0000714300000000, 0.0012744600000000, -0.0001201900000000 ] - [ -0.0002183500000000, -0.0093594000000000, 0.0022795700000000 ] - [ 0.0003439600000000, -0.0006733200000000, 0.0003400500000000 ] - [ 0.0005252600000000, -0.0008227800000000, -0.0000104800000000 ] - [ -0.0019986000000000, -0.0024396300000000, -0.0004046300000000 ] - [ -0.0006718500000000, 0.0001548300000000, -0.0001440200000000 ] - [ 0.0003909000000000, 0.0012370100000000, 0.0004712200000000 ] - [ -0.0002922800000000, -0.0011893000000000, 0.0000006400000000 ] - [ -0.0056476400000000, -0.0124677300000000, -0.0002967300000000 ] - [ -0.0003730400000000, 0.0011460200000000, 0.0002627400000000 ] - [ -0.0001674800000000, 0.0009115200000000, 0.0003181200000000 ] - [ 0.0022008300000000, 0.0012029200000000, 0.0022757400000000 ] - [ -0.0011054500000000, 0.0000220800000000, 0.0004651900000000 ] - [ -0.0003605900000000, 0.0010972200000000, -0.0003042200000000 ] - [ 0.0002302600000000, 0.0012979400000000, -0.0000677000000000 ] - [ 0.0006129700000000, 0.0008820800000000, -0.0000601800000000 ] - [ -0.0007630400000000, 0.0018423200000000, -0.0004521400000000 ] - [ -0.0007679900000000, 0.0017880200000000, 0.0005023600000000 ] - [ 0.0007700700000000, 0.0006867500000000, 0.0006390200000000 ]- atom: 3 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0000103000000000, 0.0003378700000000, -0.0009485600000000 ] - [ -0.0052916700000000, 0.0053789100000000, -0.0009121400000000 ] - [ 0.0214409200000000, 0.0019539000000000, -0.0897777500000000 ] - [ -0.0001882900000000, 0.0004300500000000, -0.0001848800000000 ] - [ -0.0002111900000000, 0.0007900000000000, 0.0011014600000000 ] - [ 0.0051797000000000, -0.0033490700000000, 0.0018393100000000 ] - [ 0.0000993200000000, 0.0002557900000000, -0.0006839500000000 ] - [ -0.0002585500000000, 0.0002647000000000, 0.0003321300000000 ] - [ -0.0001106900000000, -0.0000464000000000, -0.0005874900000000 ] - [ -0.0029196200000000, -0.0019751700000000, 0.0002360600000000 ] - [ 0.0002197700000000, -0.0000246700000000, 0.0008271100000000 ] - [ 0.0006099900000000, -0.0000459200000000, -0.0003345500000000 ] - [ 0.0001501900000000, 0.0006529800000000, -0.0008519300000000 ] - [ -0.0000536900000000, 0.0007217100000000, 0.0000673900000000 ] - [ 0.0000191000000000, 0.0003137800000000, 0.0005908900000000 ] - [ 0.0045289600000000, 0.0044833800000000, 0.0011666900000000 ] - [ -0.0001029600000000, 0.0003500100000000, 0.0001775300000000 ] - [ -0.0000844100000000, 0.0003913800000000, 0.0001326500000000 ] - [ -0.0001594200000000, 0.0004834800000000, -0.0003080400000000 ] - [ -0.0002265600000000, 0.0005608800000000, -0.0002653300000000 ] - [ -0.0001518300000000, 0.0003004700000000, 0.0012451000000000 ] - [ 0.0003046200000000, 0.0003209400000000, 0.0002805300000000 ] - [ -0.0084300700000000, 0.0008315600000000, 0.0318813300000000 ] - [ 0.0006591600000000, 0.0005463600000000, 0.0003741400000000 ] - [ 0.0000319100000000, 0.0003140300000000, -0.0000020600000000 ] - [ -0.0002457700000000, 0.0000157800000000, 0.0002846600000000 ] - [ 0.0067345500000000, 0.0093882400000000, 0.0035649200000000 ] - [ 0.0004637200000000, -0.0004642300000000, 0.0003696400000000 ] - [ -0.0006120400000000, -0.0010288800000000, 0.0001173700000000 ] - [ -0.0002722800000000, -0.0006921000000000, -0.0002533800000000 ] - [ -0.0034244700000000, 0.0061669900000000, -0.0001499600000000 ] - [ 0.0004843500000000, -0.0006570700000000, -0.0002320100000000 ] - [ 0.0007116400000000, -0.0006624000000000, 0.0003644600000000 ] - [ 0.0006974000000000, -0.0006895700000000, 0.0003716700000000 ] - [ -0.0052902300000000, 0.0010627100000000, -0.0009783200000000 ] - [ -0.0004875200000000, 0.0000327900000000, -0.0035522900000000 ] - [ -0.0003158500000000, -0.0005829600000000, -0.0001415900000000 ] - [ -0.0005042100000000, -0.0002842500000000, -0.0000224600000000 ] - [ -0.0068532800000000, -0.0104814800000000, -0.0001025900000000 ] - [ 0.0003156700000000, -0.0004138400000000, -0.0002510900000000 ] - [ 0.0008542000000000, -0.0001343600000000, -0.0005275400000000 ] - [ 0.0008649100000000, -0.0000842100000000, -0.0005445400000000 ] - [ 0.0030153700000000, -0.0078673400000000, 0.0021865200000000 ] - [ 0.0002339700000000, 0.0001059400000000, 0.0002518800000000 ] - [ -0.0003972000000000, -0.0002097600000000, 0.0000137000000000 ] - [ -0.0002457200000000, -0.0002844600000000, -0.0000679600000000 ] - [ 0.0036391100000000, -0.0013452100000000, 0.0007021900000000 ] - [ -0.0017089000000000, -0.0006873500000000, 0.0025129700000000 ] - [ -0.0049317700000000, 0.0049569400000000, 0.0102771500000000 ] - [ -0.0006428900000000, 0.0000394100000000, -0.0000243200000000 ] - [ -0.0002267500000000, -0.0001864300000000, 0.0001277000000000 ] - [ -0.0001379300000000, -0.0000171200000000, 0.0000915300000000 ] - [ 0.0002400800000000, 0.0002370500000000, -0.0000148100000000 ] - [ -0.0002156500000000, 0.0003937700000000, 0.0009769300000000 ] - [ 0.0000094400000000, -0.0006779600000000, 0.0003731800000000 ] - [ -0.0000219500000000, -0.0006094600000000, 0.0003703000000000 ] - [ -0.0000455500000000, -0.0003458000000000, -0.0000515900000000 ] - [ -0.0004077100000000, -0.0002906100000000, 0.0006091900000000 ] - [ 0.0003717800000000, -0.0001217200000000, -0.0008535500000000 ] - [ 0.0001833400000000, 0.0001300600000000, -0.0006598700000000 ] - [ -0.0000811100000000, -0.0003392200000000, 0.0000663900000000 ] - [ -0.0000581700000000, -0.0003430400000000, 0.0000018400000000 ] - [ -0.0015384400000000, 0.0009441800000000, 0.0072241700000000 ] - [ -0.0000033900000000, 0.0001631200000000, 0.0001816400000000 ] - [ -0.0004527500000000, -0.0006474600000000, -0.0003715400000000 ] - [ -0.0004107600000000, -0.0006278500000000, -0.0004370100000000 ] - [ 0.0005330600000000, 0.0000664400000000, 0.0000747500000000 ] - [ 0.0005919100000000, 0.0000182800000000, 0.0000219600000000 ] - [ -0.0018617300000000, 0.0010310100000000, -0.0011792400000000 ] - [ 0.0002025400000000, -0.0001242800000000, -0.0007990800000000 ] - [ -0.0008145600000000, 0.0001736300000000, 0.0001687400000000 ] - [ 0.0011080000000000, 0.0004861500000000, -0.0032464500000000 ] - [ 0.0063939900000000, 0.0015430700000000, -0.0019639500000000 ] - [ -0.0000713600000000, 0.0003014200000000, 0.0004452700000000 ] - [ 0.0002936000000000, 0.0008789500000000, -0.0001432900000000 ] - [ -0.0002068600000000, 0.0001115100000000, 0.0001415400000000 ] - [ -0.0032892100000000, -0.0014264500000000, -0.0048304300000000 ] - [ 0.0002144200000000, 0.0000503800000000, -0.0006876900000000 ] - [ 0.0004657800000000, -0.0003778800000000, -0.0014571200000000 ] - [ -0.0029120300000000, -0.0008866400000000, -0.0013167300000000 ] - [ -0.0003881800000000, 0.0000092600000000, 0.0000068200000000 ] - [ -0.0003899800000000, -0.0000608100000000, 0.0000097200000000 ] - [ -0.0006831800000000, -0.0002900400000000, 0.0002116200000000 ] - [ -0.0007088800000000, -0.0002878200000000, 0.0002802100000000 ] - [ 0.0000126100000000, 0.0002599100000000, -0.0000251100000000 ] - [ -0.0000237900000000, 0.0000698000000000, -0.0000000800000000 ] - [ -0.0006929000000000, -0.0144749800000000, 0.0198135100000000 ] - [ 0.0004024700000000, -0.0006545000000000, 0.0003429300000000 ] - [ -0.0000854100000000, 0.0005772700000000, -0.0001534700000000 ] - [ -0.0001321500000000, 0.0005571600000000, -0.0000840900000000 ] - [ -0.0000762100000000, 0.0001405300000000, -0.0002576100000000 ] - [ -0.0000849200000000, 0.0001518400000000, -0.0001731100000000 ] - [ 0.0002182500000000, 0.0001742200000000, -0.0033247600000000 ] - [ -0.0008263800000000, 0.0002392500000000, 0.0000285300000000 ] - [ -0.0002238900000000, -0.0018764400000000, 0.0000965100000000 ] - [ -0.0001329200000000, 0.0001893700000000, -0.0000037400000000 ] - [ 0.0006124900000000, 0.0002067700000000, 0.0000685200000000 ] - [ 0.0007226300000000, 0.0002767900000000, -0.0000429300000000 ] - [ -0.0010544300000000, 0.0000759900000000, 0.0033327800000000 ] - [ -0.0002059200000000, -0.0001002000000000, 0.0006552900000000 ] - [ 0.0021137600000000, -0.0010703500000000, 0.0000198400000000 ] - [ -0.0000864100000000, 0.0000303800000000, 0.0006591400000000 ] - [ -0.0038066900000000, 0.0102461100000000, 0.0132198900000000 ] - [ 0.0000841500000000, 0.0005206300000000, 0.0001354900000000 ] - [ 0.0003914200000000, 0.0000845700000000, -0.0002404100000000 ] - [ 0.0003879800000000, 0.0001847700000000, -0.0002359300000000 ] - [ -0.0002511700000000, 0.0005212200000000, -0.0007745200000000 ] - [ -0.0001213000000000, 0.0000004400000000, -0.0007210900000000 ] - [ 0.0005539300000000, 0.0017418000000000, 0.0003214900000000 ] - [ 0.0002026800000000, -0.0002062700000000, 0.0001418300000000 ] - [ 0.0000156200000000, 0.0006208400000000, 0.0002003100000000 ] - [ 0.0000098400000000, 0.0005502500000000, 0.0002111200000000 ] - [ -0.0001910300000000, -0.0004041700000000, 0.0024713800000000 ] - [ 0.0016904700000000, -0.0001012200000000, -0.0002516400000000 ] - [ -0.0001644800000000, -0.0026379400000000, -0.0001025300000000 ] - [ 0.0001979200000000, -0.0001847900000000, -0.0001251000000000 ] - [ -0.0003964500000000, -0.0005079500000000, 0.0003847500000000 ] - [ -0.0001864900000000, -0.0010128400000000, 0.0002593800000000 ] - [ 0.0014570300000000, -0.0003792600000000, -0.0036676700000000 ] - [ 0.0002716400000000, -0.0005533000000000, -0.0002301300000000 ] - [ 0.0007507500000000, -0.0004429400000000, -0.0000914400000000 ] - [ -0.0017885100000000, -0.0006239700000000, 0.0054352400000000 ] - [ 0.0004053100000000, 0.0025227400000000, 0.0003586200000000 ] - [ -0.0000158600000000, 0.0006107900000000, 0.0002880400000000 ] - [ -0.0001124200000000, 0.0002081000000000, -0.0001151200000000 ] - [ -0.0001301000000000, 0.0002075700000000, -0.0001090400000000 ] - [ -0.0006955200000000, -0.0036341400000000, 0.0082881200000000 ] - [ 0.0000520000000000, 0.0001632400000000, 0.0001799400000000 ] - [ -0.0008168600000000, 0.0002878400000000, -0.0002999600000000 ] - [ 0.0013563600000000, 0.0004832600000000, -0.0034463500000000 ] - [ -0.0003823900000000, -0.0000750100000000, 0.0000705300000000 ] - [ -0.0000274900000000, -0.0003199600000000, -0.0004973100000000 ] - [ 0.0006782100000000, -0.0001425100000000, 0.0001660300000000 ] - [ -0.0027739500000000, -0.0016289300000000, 0.0046358300000000 ] - [ -0.0003760900000000, -0.0000635300000000, 0.0002501700000000 ] - [ -0.0003349400000000, -0.0001078100000000, 0.0002161600000000 ] - [ -0.0004693900000000, -0.0006228800000000, 0.0006794100000000 ] - [ 0.0003887500000000, 0.0000503800000000, 0.0001749300000000 ] - [ 0.0001173100000000, 0.0001668600000000, -0.0002727300000000 ] - [ 0.0000781800000000, 0.0000910800000000, -0.0001725900000000 ] - [ -0.0001301800000000, 0.0005715700000000, -0.0003247000000000 ] - [ 0.0001803400000000, 0.0008142800000000, -0.0012495800000000 ] - [ 0.0004290900000000, -0.0002132000000000, 0.0004716000000000 ] - [ 0.0002065100000000, 0.0001234700000000, 0.0004796100000000 ]- atom: 3 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0003923900000000, 0.0003009200000000, 0.0004373200000000 ] - [ 0.0048926100000000, -0.0047506800000000, 0.0004453500000000 ] - [ -0.0211162400000000, -0.0017001100000000, 0.0899455200000000 ] - [ 0.0003951700000000, 0.0003170700000000, -0.0000788900000000 ] - [ 0.0002650300000000, 0.0006571800000000, -0.0012473400000000 ] - [ -0.0050866600000000, 0.0047933300000000, -0.0020181500000000 ] - [ -0.0005077200000000, 0.0003414000000000, 0.0013778900000000 ] - [ -0.0001512700000000, 0.0003257600000000, 0.0003613300000000 ] - [ -0.0009383600000000, 0.0000477500000000, 0.0012893800000000 ] - [ 0.0018670800000000, 0.0019750300000000, 0.0004997000000000 ] - [ 0.0008312800000000, 0.0000242900000000, -0.0015285700000000 ] - [ 0.0004387300000000, 0.0000525200000000, -0.0003677100000000 ] - [ -0.0002114000000000, 0.0008017100000000, 0.0009954600000000 ] - [ -0.0000102900000000, 0.0007327300000000, 0.0000756300000000 ] - [ 0.0003817800000000, 0.0002792900000000, -0.0012868600000000 ] - [ -0.0040909200000000, -0.0038827200000000, -0.0018974700000000 ] - [ -0.0001095300000000, 0.0003993800000000, 0.0000856300000000 ] - [ -0.0001261800000000, 0.0003581900000000, 0.0001302700000000 ] - [ -0.0002180800000000, 0.0005411900000000, -0.0002084400000000 ] - [ -0.0001495800000000, 0.0004636700000000, -0.0002502400000000 ] - [ 0.0005629500000000, 0.0003445900000000, -0.0007312500000000 ] - [ 0.0001020400000000, 0.0003171400000000, 0.0002319500000000 ] - [ 0.0087816000000000, 0.0002125600000000, -0.0313797500000000 ] - [ -0.0002856100000000, 0.0004761600000000, 0.0001392700000000 ] - [ -0.0003358800000000, -0.0002352500000000, -0.0001804500000000 ] - [ -0.0000564100000000, 0.0000588900000000, -0.0004694300000000 ] - [ -0.0058088300000000, -0.0101603200000000, -0.0031729800000000 ] - [ 0.0005153600000000, -0.0002445000000000, -0.0000255400000000 ] - [ -0.0001587600000000, -0.0003635900000000, 0.0001384400000000 ] - [ -0.0005005500000000, -0.0006956900000000, 0.0005107900000000 ] - [ 0.0041935300000000, -0.0075342500000000, -0.0001273400000000 ] - [ 0.0002844900000000, -0.0007389400000000, -0.0000298800000000 ] - [ 0.0006939500000000, -0.0007072300000000, 0.0003541700000000 ] - [ 0.0007076700000000, -0.0006818800000000, 0.0003457100000000 ] - [ 0.0035542800000000, -0.0012146100000000, 0.0020008000000000 ] - [ -0.0013105800000000, -0.0002052100000000, 0.0045762000000000 ] - [ -0.0006611800000000, -0.0001266000000000, -0.0001984000000000 ] - [ -0.0004707600000000, -0.0004264300000000, -0.0003170900000000 ] - [ 0.0074236700000000, 0.0097357900000000, -0.0001081900000000 ] - [ 0.0002673500000000, -0.0002669100000000, 0.0001085300000000 ] - [ 0.0008727900000000, -0.0000284900000000, -0.0005321600000000 ] - [ 0.0008613500000000, -0.0000801400000000, -0.0005148600000000 ] - [ -0.0027297900000000, 0.0079850500000000, -0.0019872400000000 ] - [ 0.0000659300000000, -0.0000258500000000, -0.0000603400000000 ] - [ -0.0001990000000000, -0.0004774800000000, 0.0001349300000000 ] - [ -0.0003496500000000, -0.0004068700000000, 0.0002178500000000 ] - [ -0.0050708300000000, -0.0000183000000000, -0.0014116200000000 ] - [ 0.0003299100000000, -0.0006813800000000, -0.0032297700000000 ] - [ 0.0041165000000000, -0.0054323100000000, -0.0111944500000000 ] - [ -0.0004756200000000, 0.0000257800000000, -0.0001395500000000 ] - [ -0.0001093100000000, 0.0001539800000000, 0.0001282800000000 ] - [ -0.0001981000000000, -0.0000147400000000, 0.0001654700000000 ] - [ -0.0000091400000000, 0.0001370500000000, -0.0000048700000000 ] - [ 0.0004478000000000, -0.0000277600000000, -0.0009958300000000 ] - [ -0.0000394400000000, -0.0005466400000000, 0.0003764300000000 ] - [ -0.0000069600000000, -0.0006139300000000, 0.0003789800000000 ] - [ -0.0003458300000000, -0.0000910700000000, -0.0001955500000000 ] - [ 0.0000157700000000, -0.0001388700000000, -0.0008551800000000 ] - [ 0.0002542300000000, -0.0001329000000000, -0.0004244800000000 ] - [ 0.0004419500000000, -0.0003856800000000, -0.0006167400000000 ] - [ -0.0000467500000000, -0.0003590700000000, -0.0000643900000000 ] - [ -0.0000686600000000, -0.0003544100000000, -0.0000004700000000 ] - [ 0.0013565400000000, -0.0005972700000000, -0.0068698100000000 ] - [ -0.0001995000000000, 0.0001310700000000, 0.0001548200000000 ] - [ -0.0004037900000000, -0.0006211000000000, -0.0003505800000000 ] - [ -0.0004460800000000, -0.0006402700000000, -0.0002849300000000 ] - [ 0.0005859300000000, -0.0000019900000000, 0.0000889900000000 ] - [ 0.0005253700000000, 0.0000457500000000, 0.0001413900000000 ] - [ 0.0022083300000000, -0.0010675500000000, 0.0009207100000000 ] - [ 0.0001282800000000, 0.0000900700000000, 0.0005405500000000 ] - [ 0.0000317300000000, 0.0001785100000000, 0.0002989600000000 ] - [ -0.0019249600000000, -0.0001574200000000, 0.0037120800000000 ] - [ -0.0061046200000000, -0.0011099800000000, 0.0022867100000000 ] - [ 0.0003457700000000, 0.0001208900000000, -0.0001702500000000 ] - [ -0.0007767100000000, -0.0005883400000000, -0.0007498900000000 ] - [ -0.0002669800000000, 0.0001702300000000, -0.0010426700000000 ] - [ 0.0040372900000000, 0.0012323600000000, 0.0043534500000000 ] - [ 0.0004781000000000, -0.0002617800000000, 0.0002118600000000 ] - [ -0.0003291900000000, -0.0003214300000000, 0.0014579900000000 ] - [ 0.0030118800000000, 0.0001889000000000, 0.0013381400000000 ] - [ -0.0003827800000000, -0.0001494500000000, 0.0000166100000000 ] - [ -0.0003798500000000, -0.0000793500000000, 0.0000132000000000 ] - [ -0.0007170100000000, -0.0003034200000000, 0.0003523000000000 ] - [ -0.0006910600000000, -0.0003055700000000, 0.0002832200000000 ] - [ -0.0000811900000000, -0.0001065100000000, -0.0000814000000000 ] - [ -0.0000439000000000, 0.0000833300000000, -0.0001070800000000 ] - [ 0.0015157000000000, 0.0140365600000000, -0.0200459100000000 ] - [ 0.0004545000000000, -0.0006125900000000, 0.0003785300000000 ] - [ -0.0001277600000000, 0.0005131300000000, -0.0001613500000000 ] - [ -0.0000811200000000, 0.0005318700000000, -0.0002310400000000 ] - [ -0.0000857300000000, 0.0001665900000000, -0.0002659500000000 ] - [ -0.0000785700000000, 0.0001553500000000, -0.0003512400000000 ] - [ -0.0015431800000000, 0.0001910300000000, 0.0034394300000000 ] - [ -0.0005024400000000, 0.0001078100000000, 0.0000873600000000 ] - [ -0.0000111300000000, 0.0022467200000000, -0.0000737400000000 ] - [ -0.0000966400000000, 0.0001844100000000, 0.0000243900000000 ] - [ 0.0007168300000000, 0.0001407600000000, -0.0001821500000000 ] - [ 0.0006065100000000, 0.0000718900000000, -0.0000717200000000 ] - [ 0.0004281100000000, -0.0003260100000000, -0.0020566500000000 ] - [ -0.0004175600000000, -0.0001545200000000, 0.0006219200000000 ] - [ -0.0020371900000000, 0.0012175700000000, 0.0000962000000000 ] - [ 0.0001653000000000, 0.0001287900000000, -0.0005442400000000 ] - [ 0.0038018200000000, -0.0084958200000000, -0.0122762100000000 ] - [ 0.0001316700000000, 0.0005707000000000, 0.0001803000000000 ] - [ 0.0003950000000000, 0.0002660800000000, -0.0002310400000000 ] - [ 0.0003988900000000, 0.0001658300000000, -0.0002346600000000 ] - [ 0.0000511300000000, -0.0004593200000000, -0.0005765400000000 ] - [ -0.0000799300000000, 0.0000643200000000, -0.0006278200000000 ] - [ -0.0001617500000000, -0.0021748500000000, -0.0000624100000000 ] - [ 0.0001913600000000, -0.0002304500000000, 0.0001071100000000 ] - [ 0.0000213400000000, 0.0004743700000000, 0.0002211400000000 ] - [ 0.0000276400000000, 0.0005462700000000, 0.0002111800000000 ] - [ 0.0015703300000000, -0.0001821300000000, -0.0030418300000000 ] - [ -0.0002844200000000, -0.0004905400000000, -0.0003310300000000 ] - [ 0.0005642700000000, 0.0022421800000000, -0.0001355200000000 ] - [ 0.0001980400000000, -0.0002178200000000, -0.0001039500000000 ] - [ -0.0003120900000000, -0.0005312300000000, 0.0000524800000000 ] - [ -0.0005212800000000, -0.0000257100000000, 0.0001761200000000 ] - [ -0.0007489800000000, -0.0006694900000000, 0.0032310400000000 ] - [ 0.0004371800000000, -0.0004842500000000, -0.0002057800000000 ] - [ -0.0007177700000000, -0.0007789700000000, -0.0006530000000000 ] - [ 0.0018471900000000, -0.0006216300000000, -0.0061794500000000 ] - [ -0.0003664100000000, -0.0013040100000000, 0.0001954300000000 ] - [ 0.0000587300000000, 0.0006122800000000, 0.0002719200000000 ] - [ -0.0001498800000000, 0.0002123300000000, -0.0001545000000000 ] - [ -0.0001321600000000, 0.0002136000000000, -0.0001607600000000 ] - [ 0.0008108600000000, 0.0035030300000000, -0.0071450500000000 ] - [ 0.0001131400000000, 0.0001439100000000, 0.0003450400000000 ] - [ 0.0007850800000000, 0.0008109000000000, -0.0001252100000000 ] - [ -0.0014136900000000, 0.0006278800000000, 0.0030202900000000 ] - [ -0.0000124000000000, -0.0003281500000000, 0.0001580900000000 ] - [ -0.0003719500000000, -0.0000831400000000, 0.0007246800000000 ] - [ 0.0000941500000000, 0.0000035800000000, -0.0001843000000000 ] - [ 0.0034908400000000, 0.0014751200000000, -0.0046405600000000 ] - [ -0.0003205300000000, -0.0001490300000000, 0.0002244600000000 ] - [ -0.0003619600000000, -0.0001039800000000, 0.0002586200000000 ] - [ 0.0006713500000000, 0.0006878600000000, 0.0006607000000000 ] - [ -0.0001887000000000, 0.0000159300000000, 0.0011745100000000 ] - [ 0.0000885300000000, 0.0001264600000000, -0.0000653100000000 ] - [ 0.0001264300000000, 0.0002035100000000, -0.0001648400000000 ] - [ 0.0000879600000000, 0.0006516000000000, -0.0002358400000000 ] - [ -0.0002251900000000, 0.0004106500000000, 0.0006890500000000 ] - [ 0.0000485500000000, 0.0004993000000000, 0.0004325300000000 ] - [ 0.0002718300000000, 0.0001661300000000, 0.0004229300000000 ]- atom: 5 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0073257100000000, 0.0016157900000000, -0.0106905800000000 ] - [ 0.0034644100000000, 0.0001464600000000, 0.0011656800000000 ] - [ 0.0025072100000000, 0.0023236800000000, 0.0002564200000000 ] - [ -0.0017197700000000, -0.0052842800000000, 0.0046800700000000 ] - [ -0.0429462400000000, 0.0097128800000000, 0.0072551600000000 ] - [ 0.0040822100000000, 0.0005876500000000, 0.0005883800000000 ] - [ 0.0016686100000000, -0.0014234800000000, 0.0004544100000000 ] - [ -0.0013090700000000, 0.0041057400000000, 0.0024744700000000 ] - [ -0.0018910100000000, -0.0001555200000000, -0.0002465800000000 ] - [ 0.0006442800000000, -0.0000768600000000, 0.0007234900000000 ] - [ 0.0039870500000000, -0.0043790500000000, 0.0010118900000000 ] - [ 0.0039391900000000, 0.0049060100000000, -0.0022008900000000 ] - [ 0.0001291500000000, 0.0005430400000000, 0.0001006100000000 ] - [ -0.0001868300000000, 0.0006463100000000, 0.0000602500000000 ] - [ -0.0018615100000000, 0.0000632000000000, -0.0006203400000000 ] - [ 0.0015783200000000, 0.0003730200000000, -0.0000593800000000 ] - [ -0.0018105900000000, 0.0004460100000000, -0.0001338400000000 ] - [ 0.0011120800000000, 0.0000162800000000, 0.0004327400000000 ] - [ -0.0016252800000000, 0.0005679700000000, -0.0008419300000000 ] - [ 0.0010768500000000, 0.0002645700000000, 0.0001170600000000 ] - [ 0.0005278000000000, 0.0002919700000000, 0.0003539400000000 ] - [ -0.0001087300000000, 0.0000418600000000, 0.0001459000000000 ] - [ 0.0035723900000000, 0.0039451400000000, 0.0015306400000000 ] - [ 0.0033078000000000, -0.0055812600000000, -0.0034841900000000 ] - [ -0.0088992500000000, -0.0017238700000000, 0.0007014800000000 ] - [ 0.0020425800000000, 0.0002809400000000, 0.0003199300000000 ] - [ 0.0038992700000000, 0.0003048500000000, 0.0075787600000000 ] - [ 0.0024365200000000, -0.0001325000000000, 0.0003366600000000 ] - [ -0.0050041800000000, -0.0081687500000000, -0.0056869500000000 ] - [ 0.0021298700000000, -0.0001105600000000, 0.0009194500000000 ] - [ 0.0003066500000000, 0.0001814400000000, -0.0002610400000000 ] - [ 0.0009371700000000, -0.0019101000000000, 0.0000945500000000 ] - [ 0.0006378300000000, -0.0019674300000000, 0.0005509900000000 ] - [ 0.0010915100000000, 0.0001752200000000, 0.0003737700000000 ] - [ -0.0042754000000000, 0.0050353700000000, -0.0029352300000000 ] - [ 0.0018488700000000, -0.0008175100000000, 0.0013544900000000 ] - [ -0.0011429100000000, -0.0005312200000000, -0.0003628400000000 ] - [ 0.0001340300000000, -0.0003959700000000, 0.0000232200000000 ] - [ 0.0104021800000000, 0.0008928900000000, -0.0039718700000000 ] - [ 0.0108525300000000, 0.0005747900000000, 0.0035242600000000 ] - [ 0.0009924400000000, -0.0015244600000000, -0.0006709400000000 ] - [ 0.0012938600000000, 0.0010382600000000, -0.0003350100000000 ] - [ -0.0001018300000000, 0.0009075100000000, 0.0001069400000000 ] - [ 0.0006738700000000, -0.0010601800000000, 0.0001511700000000 ] - [ -0.0009370000000000, -0.0005299900000000, -0.0000804600000000 ] - [ 0.0003283700000000, -0.0003861000000000, 0.0002165400000000 ] - [ -0.0072384900000000, -0.0002462900000000, -0.0001205000000000 ] - [ 0.0015203800000000, -0.0010562800000000, 0.0002030800000000 ] - [ -0.0023793000000000, -0.0005074000000000, -0.0012285200000000 ] - [ -0.0001446800000000, 0.0001191100000000, 0.0010721100000000 ] - [ 0.0000019600000000, 0.0012247000000000, -0.0004628400000000 ] - [ -0.0009202800000000, -0.0005045100000000, 0.0000311600000000 ] - [ 0.0070786600000000, 0.0022684900000000, 0.0039119900000000 ] - [ -0.0014906700000000, 0.0001034100000000, -0.0004426600000000 ] - [ -0.0002345000000000, -0.0002958200000000, 0.0003286400000000 ] - [ 0.0001739300000000, -0.0008622000000000, 0.0004145900000000 ] - [ 0.0001785000000000, -0.0001317100000000, -0.0000505000000000 ] - [ -0.0005298700000000, -0.0002076800000000, -0.0001689500000000 ] - [ 0.0038748000000000, 0.0035950000000000, -0.0013898200000000 ] - [ -0.0010661600000000, -0.0003295400000000, -0.0008140500000000 ] - [ -0.0001450300000000, 0.0003001000000000, 0.0000275400000000 ] - [ -0.0001636700000000, -0.0009779300000000, -0.0001025000000000 ] - [ -0.0014061700000000, -0.0007141400000000, 0.0004849200000000 ] - [ -0.0014961300000000, 0.0003265300000000, -0.0023595600000000 ] - [ 0.0010375200000000, -0.0007897100000000, -0.0002584800000000 ] - [ -0.0011144400000000, -0.0007109600000000, -0.0005463800000000 ] - [ 0.0009509300000000, 0.0000762600000000, 0.0002137800000000 ] - [ 0.0002039300000000, 0.0000941100000000, -0.0000356300000000 ] - [ 0.0010036000000000, -0.0004968300000000, -0.0000080300000000 ] - [ -0.0005622000000000, 0.0002235800000000, -0.0003444100000000 ] - [ 0.0011755600000000, 0.0014535300000000, 0.0007479200000000 ] - [ -0.0015957500000000, -0.0002518000000000, -0.0001388500000000 ] - [ -0.0021712300000000, -0.0039191200000000, 0.0016092700000000 ] - [ -0.0030271700000000, 0.0017317600000000, -0.0006353800000000 ] - [ 0.0021968800000000, 0.0022785400000000, 0.0039945000000000 ] - [ -0.0026758900000000, -0.0003104400000000, -0.0013111900000000 ] - [ 0.0008866300000000, -0.0037699800000000, -0.0028380900000000 ] - [ -0.0011452900000000, 0.0004748500000000, -0.0003274400000000 ] - [ 0.0044738400000000, -0.0020263000000000, -0.0002927300000000 ] - [ -0.0010589400000000, -0.0001934800000000, -0.0001506900000000 ] - [ -0.0012192900000000, 0.0008451400000000, 0.0000607400000000 ] - [ 0.0001521500000000, -0.0016189700000000, -0.0001106100000000 ] - [ -0.0006563000000000, 0.0006402700000000, 0.0002278700000000 ] - [ -0.0010794400000000, -0.0009570800000000, 0.0002671900000000 ] - [ -0.0003389600000000, 0.0017163200000000, 0.0005350600000000 ] - [ -0.0009873200000000, -0.0008606200000000, -0.0004185400000000 ] - [ 0.0002524900000000, -0.0017083200000000, 0.0000902500000000 ] - [ 0.0000922300000000, 0.0009341600000000, 0.0003601400000000 ] - [ 0.0014557600000000, 0.0007324300000000, 0.0004509900000000 ] - [ -0.0010233300000000, 0.0005851000000000, -0.0003958000000000 ] - [ 0.0003439800000000, 0.0001913100000000, -0.0001672700000000 ] - [ -0.0004662800000000, 0.0002275200000000, -0.0003479000000000 ] - [ -0.0077114900000000, 0.0011263800000000, -0.0029148600000000 ] - [ -0.0036770300000000, -0.0003652300000000, 0.0011890700000000 ] - [ -0.0003792200000000, 0.0000545700000000, -0.0000433000000000 ] - [ 0.0001881300000000, 0.0005283300000000, 0.0000600400000000 ] - [ 0.0009514400000000, 0.0002751300000000, 0.0000380800000000 ] - [ 0.0003857300000000, 0.0001959900000000, -0.0001411900000000 ] - [ -0.0001356300000000, -0.0004096100000000, 0.0007128100000000 ] - [ -0.0005889200000000, 0.0002611800000000, 0.0005279400000000 ] - [ 0.0007025000000000, -0.0007655500000000, 0.0002916800000000 ] - [ -0.0007341000000000, 0.0005071800000000, -0.0001244600000000 ] - [ -0.0004839800000000, -0.0004628100000000, 0.0001418200000000 ] - [ 0.0002185400000000, 0.0026290300000000, 0.0000159000000000 ] - [ -0.0003358200000000, 0.0009807200000000, -0.0006665400000000 ] - [ 0.0009623900000000, -0.0008474900000000, 0.0001598600000000 ] - [ 0.0000823900000000, -0.0000547700000000, -0.0006395200000000 ] - [ -0.0003254400000000, 0.0002243700000000, -0.0007186900000000 ] - [ -0.0020999000000000, 0.0014067200000000, 0.0006819800000000 ] - [ -0.0033979000000000, -0.0048380400000000, -0.0020252200000000 ] - [ -0.0001340700000000, 0.0008661300000000, 0.0001545200000000 ] - [ 0.0001340400000000, 0.0003483500000000, 0.0002495500000000 ] - [ 0.0020270600000000, -0.0008125500000000, 0.0007701700000000 ] - [ -0.0002507900000000, 0.0000920100000000, -0.0007215400000000 ] - [ -0.0013442300000000, 0.0007379400000000, -0.0015498200000000 ] - [ 0.0002204200000000, -0.0008170400000000, 0.0005034900000000 ] - [ 0.0018410500000000, -0.0001295400000000, 0.0021098000000000 ] - [ -0.0013011200000000, -0.0005091900000000, -0.0001665500000000 ] - [ 0.0003403300000000, -0.0009915400000000, -0.0002390500000000 ] - [ 0.0002243500000000, 0.0001904900000000, -0.0002055900000000 ] - [ 0.0066693100000000, -0.0007272000000000, 0.0007445100000000 ] - [ -0.0015571400000000, -0.0006960100000000, -0.0008773400000000 ] - [ -0.0002715400000000, 0.0004775700000000, 0.0001884900000000 ] - [ 0.0003068000000000, 0.0008967400000000, 0.0003878200000000 ] - [ 0.0003562300000000, 0.0006274200000000, 0.0000904700000000 ] - [ -0.0006008300000000, -0.0000054400000000, -0.0003217000000000 ] - [ -0.0025164900000000, -0.0003827400000000, 0.0002065100000000 ] - [ 0.0123862900000000, -0.0028047200000000, 0.0016105600000000 ] - [ 0.0078140300000000, -0.0017022700000000, -0.0028096800000000 ] - [ -0.0014624000000000, 0.0003989400000000, -0.0005174800000000 ] - [ 0.0002096800000000, -0.0000800000000000, 0.0002346200000000 ] - [ -0.0005505700000000, -0.0001888700000000, -0.0000111800000000 ] - [ 0.0020731600000000, 0.0001918600000000, 0.0004186800000000 ] - [ -0.0006869400000000, -0.0003661100000000, -0.0002482800000000 ] - [ 0.0001470900000000, 0.0002119400000000, 0.0003006800000000 ] - [ -0.0007972100000000, -0.0002659400000000, 0.0001679700000000 ] - [ 0.0058638200000000, 0.0011058300000000, -0.0005124500000000 ] - [ -0.0016943200000000, -0.0004248700000000, 0.0003368800000000 ] - [ 0.0004373900000000, 0.0001624300000000, -0.0000999300000000 ] - [ -0.0002215300000000, 0.0002394400000000, -0.0002453400000000 ] - [ 0.0090600000000000, 0.0023609900000000, -0.0012439200000000 ] - [ -0.0019488900000000, 0.0006291100000000, -0.0007237900000000 ] - [ 0.0004009600000000, 0.0000574700000000, 0.0005089200000000 ] - [ 0.0000278200000000, 0.0003384300000000, 0.0003789000000000 ]- atom: 5 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0069327800000000, -0.0009671100000000, 0.0102036800000000 ] - [ -0.0038717000000000, 0.0004914800000000, -0.0016776100000000 ] - [ -0.0022983700000000, -0.0015675800000000, -0.0005259500000000 ] - [ 0.0019705200000000, 0.0060490800000000, -0.0049605500000000 ] - [ 0.0437091300000000, -0.0085431200000000, -0.0073689300000000 ] - [ -0.0040191000000000, 0.0008670100000000, -0.0007310900000000 ] - [ -0.0020859600000000, 0.0020031200000000, 0.0002328800000000 ] - [ 0.0009387400000000, -0.0035168700000000, -0.0017866300000000 ] - [ 0.0008416900000000, 0.0001530600000000, 0.0009487000000000 ] - [ -0.0016924300000000, 0.0000855000000000, -0.0000211300000000 ] - [ -0.0029426900000000, 0.0043508800000000, -0.0017091600000000 ] - [ -0.0028843100000000, -0.0049289800000000, 0.0015245400000000 ] - [ -0.0001957000000000, 0.0009117300000000, 0.0000410200000000 ] - [ 0.0001276100000000, 0.0008088300000000, 0.0000837800000000 ] - [ 0.0022778600000000, 0.0005103700000000, -0.0000716200000000 ] - [ -0.0011682800000000, 0.0002211200000000, -0.0006343000000000 ] - [ 0.0016032400000000, 0.0003099800000000, 0.0003979600000000 ] - [ -0.0013234500000000, 0.0007285900000000, -0.0001689600000000 ] - [ 0.0012500300000000, 0.0004625400000000, 0.0003255100000000 ] - [ -0.0014536600000000, 0.0007552100000000, -0.0006340200000000 ] - [ -0.0001231900000000, 0.0003483200000000, 0.0001582600000000 ] - [ 0.0005206700000000, 0.0005981000000000, 0.0003679200000000 ] - [ -0.0031918600000000, -0.0029003300000000, -0.0010053500000000 ] - [ -0.0029281600000000, 0.0066386500000000, 0.0040304100000000 ] - [ 0.0085798300000000, 0.0018529800000000, -0.0009160500000000 ] - [ -0.0023432300000000, -0.0002101000000000, -0.0005029800000000 ] - [ -0.0029461800000000, -0.0010154900000000, -0.0071717100000000 ] - [ -0.0014516400000000, -0.0005792200000000, 0.0000176000000000 ] - [ 0.0041702900000000, 0.0067740500000000, 0.0059432500000000 ] - [ -0.0029032000000000, -0.0012901900000000, -0.0006619200000000 ] - [ 0.0004601500000000, -0.0015720100000000, -0.0000024700000000 ] - [ -0.0001592100000000, 0.0005203400000000, -0.0003552500000000 ] - [ 0.0007600700000000, 0.0005960400000000, 0.0001667100000000 ] - [ 0.0003165300000000, -0.0015480700000000, 0.0003484800000000 ] - [ 0.0024966200000000, -0.0052014900000000, 0.0039822000000000 ] - [ -0.0035738600000000, 0.0006675500000000, -0.0003032400000000 ] - [ 0.0001642000000000, -0.0001800400000000, 0.0000201400000000 ] - [ -0.0011090600000000, -0.0003152900000000, -0.0003656500000000 ] - [ -0.0097223800000000, -0.0015742700000000, 0.0037698900000000 ] - [ -0.0103381300000000, -0.0012469700000000, -0.0036977500000000 ] - [ 0.0007275700000000, 0.0013595400000000, -0.0003895100000000 ] - [ 0.0004376700000000, -0.0012068100000000, -0.0007233000000000 ] - [ 0.0003966000000000, -0.0008248700000000, 0.0000820300000000 ] - [ -0.0003698700000000, 0.0011378900000000, 0.0000404800000000 ] - [ 0.0003374200000000, -0.0001589400000000, 0.0002299100000000 ] - [ -0.0009244900000000, -0.0003025100000000, -0.0000660300000000 ] - [ 0.0058054200000000, -0.0011650600000000, -0.0006370500000000 ] - [ -0.0029241900000000, -0.0003115100000000, -0.0009295800000000 ] - [ 0.0012601100000000, 0.0005686900000000, 0.0010595600000000 ] - [ -0.0009920800000000, -0.0000540800000000, -0.0012496000000000 ] - [ -0.0003281300000000, -0.0012616000000000, 0.0007229200000000 ] - [ 0.0005802600000000, 0.0004736500000000, 0.0002230700000000 ] - [ -0.0068021600000000, -0.0019049300000000, -0.0039421200000000 ] - [ 0.0017235900000000, 0.0002739500000000, 0.0004223100000000 ] - [ 0.0002058500000000, -0.0009263600000000, 0.0004218000000000 ] - [ -0.0002059600000000, -0.0003597300000000, 0.0003349800000000 ] - [ -0.0005686800000000, -0.0003009200000000, -0.0001970600000000 ] - [ 0.0001385100000000, -0.0002286200000000, -0.0000780000000000 ] - [ -0.0031764000000000, -0.0039172200000000, 0.0001141100000000 ] - [ 0.0016924500000000, 0.0000772700000000, -0.0004652800000000 ] - [ 0.0000191000000000, -0.0009969000000000, -0.0000245700000000 ] - [ 0.0000326500000000, 0.0002801900000000, 0.0001041700000000 ] - [ 0.0012039000000000, 0.0010127500000000, -0.0001356200000000 ] - [ 0.0012887900000000, -0.0000351300000000, 0.0027134500000000 ] - [ -0.0018942800000000, -0.0004889000000000, -0.0004628100000000 ] - [ 0.0002592800000000, -0.0005559400000000, -0.0001752300000000 ] - [ 0.0001667300000000, -0.0000118700000000, -0.0000511900000000 ] - [ 0.0009153700000000, -0.0000275700000000, 0.0001986200000000 ] - [ -0.0006622700000000, 0.0004690200000000, -0.0002451300000000 ] - [ 0.0008957900000000, -0.0002591800000000, 0.0000870700000000 ] - [ -0.0019700500000000, -0.0010964100000000, -0.0002783700000000 ] - [ 0.0008098700000000, 0.0005978100000000, 0.0006085500000000 ] - [ 0.0024311300000000, 0.0043029600000000, -0.0013229600000000 ] - [ 0.0032932800000000, -0.0013185600000000, 0.0009039000000000 ] - [ -0.0024954900000000, -0.0020286500000000, -0.0050013100000000 ] - [ 0.0022054700000000, 0.0006044700000000, 0.0004108500000000 ] - [ -0.0001592400000000, 0.0035436100000000, 0.0023552200000000 ] - [ 0.0018398500000000, -0.0006899600000000, -0.0001483200000000 ] - [ -0.0043312300000000, 0.0013707800000000, 0.0002912200000000 ] - [ 0.0011872500000000, -0.0005073400000000, 0.0001484400000000 ] - [ 0.0004496800000000, -0.0009831600000000, -0.0000368400000000 ] - [ -0.0009305300000000, 0.0014807100000000, 0.0001328900000000 ] - [ -0.0007403700000000, -0.0012358500000000, 0.0003363500000000 ] - [ -0.0003229300000000, 0.0003633300000000, 0.0002953200000000 ] - [ 0.0002796500000000, -0.0015617800000000, -0.0006407000000000 ] - [ 0.0009181400000000, 0.0010207600000000, 0.0003125400000000 ] - [ 0.0006067900000000, 0.0004345900000000, 0.0006310500000000 ] - [ 0.0007602800000000, -0.0022068700000000, 0.0003588500000000 ] - [ -0.0016700100000000, 0.0003428800000000, -0.0007677100000000 ] - [ 0.0008116100000000, 0.0005069300000000, 0.0000810200000000 ] - [ -0.0005068200000000, 0.0001159700000000, -0.0003557100000000 ] - [ 0.0003051800000000, 0.0000818800000000, -0.0001745400000000 ] - [ 0.0063677500000000, -0.0007705800000000, 0.0030000300000000 ] - [ 0.0023661300000000, 0.0007179400000000, -0.0010890100000000 ] - [ 0.0001487200000000, 0.0003187100000000, 0.0000648500000000 ] - [ -0.0004237400000000, -0.0001530500000000, -0.0000401800000000 ] - [ 0.0003791500000000, 0.0000745800000000, -0.0001512900000000 ] - [ 0.0009428300000000, 0.0001530500000000, 0.0000274100000000 ] - [ -0.0004872800000000, 0.0001535500000000, 0.0005665100000000 ] - [ -0.0000388800000000, -0.0005185900000000, 0.0007497800000000 ] - [ -0.0006263100000000, 0.0009196600000000, -0.0001842800000000 ] - [ 0.0008002200000000, -0.0003586200000000, 0.0002316000000000 ] - [ 0.0006968300000000, 0.0015466500000000, 0.0001738900000000 ] - [ -0.0000117300000000, -0.0015452100000000, 0.0002992100000000 ] - [ 0.0011240700000000, -0.0006287500000000, 0.0001953300000000 ] - [ -0.0001826300000000, 0.0011966500000000, -0.0006336900000000 ] - [ -0.0002807300000000, 0.0001212900000000, -0.0007109400000000 ] - [ 0.0001222900000000, -0.0001585700000000, -0.0006327000000000 ] - [ 0.0024836100000000, -0.0018299100000000, -0.0004266700000000 ] - [ 0.0038089800000000, 0.0044531700000000, 0.0022954800000000 ] - [ 0.0001716300000000, 0.0002314600000000, 0.0002667100000000 ] - [ -0.0000999700000000, 0.0007493500000000, 0.0001708400000000 ] - [ -0.0006158300000000, 0.0002232800000000, -0.0013275500000000 ] - [ 0.0016510300000000, -0.0006902700000000, 0.0001585600000000 ] - [ 0.0017425000000000, -0.0011319900000000, 0.0013132600000000 ] - [ 0.0001591600000000, 0.0004190800000000, -0.0007434400000000 ] - [ -0.0025400800000000, -0.0009168900000000, -0.0016683500000000 ] - [ 0.0005941700000000, -0.0005257600000000, 0.0006050300000000 ] - [ 0.0003693000000000, -0.0000476300000000, -0.0001986000000000 ] - [ 0.0004804900000000, -0.0012301900000000, -0.0002331000000000 ] - [ -0.0066379200000000, -0.0004954900000000, -0.0014862800000000 ] - [ 0.0015887700000000, -0.0005286400000000, 0.0001274500000000 ] - [ 0.0003139400000000, 0.0007451400000000, 0.0003703100000000 ] - [ -0.0002686800000000, 0.0003271200000000, 0.0001698900000000 ] - [ -0.0006166200000000, -0.0002067700000000, -0.0003581700000000 ] - [ 0.0003373800000000, 0.0004281600000000, 0.0000532100000000 ] - [ 0.0026692200000000, 0.0006866900000000, 0.0003201600000000 ] - [ -0.0131031400000000, 0.0036030300000000, -0.0013018900000000 ] - [ -0.0078491600000000, 0.0028686300000000, 0.0024722600000000 ] - [ 0.0014248400000000, 0.0006969900000000, 0.0000962400000000 ] - [ -0.0006056100000000, -0.0003189200000000, -0.0000056500000000 ] - [ 0.0001553500000000, -0.0002133600000000, 0.0002392500000000 ] - [ -0.0013070500000000, -0.0003232300000000, -0.0004451400000000 ] - [ 0.0014587900000000, 0.0002216400000000, 0.0002267100000000 ] - [ -0.0008414000000000, -0.0004243600000000, 0.0001731900000000 ] - [ 0.0000996000000000, 0.0000553300000000, 0.0003050600000000 ] - [ -0.0056115100000000, -0.0010585800000000, 0.0019254900000000 ] - [ 0.0018964000000000, 0.0004937500000000, 0.0010135100000000 ] - [ -0.0002296600000000, 0.0001332300000000, -0.0002376200000000 ] - [ 0.0004274400000000, 0.0000569800000000, -0.0000926700000000 ] - [ -0.0092376300000000, -0.0013420400000000, 0.0008596100000000 ] - [ 0.0019061100000000, 0.0005980900000000, 0.0001643600000000 ] - [ 0.0000778000000000, 0.0002327300000000, 0.0003952500000000 ] - [ 0.0004467700000000, -0.0000483100000000, 0.0005240000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007362400000000, -0.0154628000000000, 0.0004892500000000 ] - [ -0.0004275900000000, -0.0019342300000000, -0.0003275800000000 ] - [ 0.0016504500000000, -0.0009689700000000, 0.0003473700000000 ] - [ -0.0049779000000000, 0.0019624000000000, -0.0057038200000000 ] - [ 0.0093514600000000, -0.0579052200000000, -0.0021481300000000 ] - [ -0.0001091000000000, -0.0015487300000000, -0.0000988500000000 ] - [ -0.0021490000000000, -0.0001700600000000, -0.0001636800000000 ] - [ 0.0043795900000000, 0.0030801200000000, 0.0036223500000000 ] - [ -0.0004107500000000, 0.0037951300000000, 0.0004182500000000 ] - [ -0.0006705100000000, 0.0010693100000000, 0.0003292400000000 ] - [ -0.0043527400000000, -0.0003620300000000, -0.0016092200000000 ] - [ 0.0061374400000000, 0.0008130800000000, -0.0005548600000000 ] - [ 0.0001551100000000, 0.0030197400000000, 0.0000806400000000 ] - [ 0.0000487900000000, 0.0035491200000000, 0.0000126500000000 ] - [ -0.0010245900000000, 0.0070558300000000, -0.0008516400000000 ] - [ 0.0002377000000000, 0.0011908000000000, -0.0003714600000000 ] - [ 0.0002786700000000, 0.0053064200000000, 0.0003100300000000 ] - [ -0.0003721800000000, 0.0016927600000000, 0.0000666200000000 ] - [ -0.0001378000000000, 0.0042037400000000, -0.0002957300000000 ] - [ -0.0003888900000000, 0.0016352400000000, -0.0002986300000000 ] - [ 0.0004480900000000, 0.0024801800000000, 0.0003478800000000 ] - [ 0.0001376800000000, 0.0032926000000000, 0.0003324900000000 ] - [ 0.0034034500000000, -0.0001347800000000, 0.0010038100000000 ] - [ -0.0058809000000000, 0.0018872200000000, 0.0018517200000000 ] - [ -0.0022742100000000, 0.0083556100000000, -0.0116841300000000 ] - [ 0.0002912900000000, -0.0007745700000000, -0.0000439600000000 ] - [ -0.0000530100000000, -0.0076365300000000, 0.0003097400000000 ] - [ 0.0003953700000000, -0.0042945200000000, -0.0001019800000000 ] - [ -0.0076826300000000, 0.0069141700000000, 0.0092373900000000 ] - [ 0.0002383600000000, -0.0015844600000000, 0.0003407700000000 ] - [ 0.0018524400000000, 0.0012673400000000, 0.0001130300000000 ] - [ -0.0008165900000000, 0.0013046900000000, -0.0004607400000000 ] - [ -0.0003545800000000, 0.0015379500000000, -0.0002788200000000 ] - [ 0.0015697900000000, 0.0009369400000000, 0.0006034900000000 ] - [ 0.0053156800000000, 0.0059473900000000, -0.0056701300000000 ] - [ -0.0018486300000000, -0.0003878100000000, 0.0002399200000000 ] - [ -0.0003818100000000, 0.0025289800000000, -0.0002426300000000 ] - [ -0.0005385500000000, 0.0010604600000000, -0.0002208300000000 ] - [ -0.0004328200000000, -0.0070778400000000, -0.0003993100000000 ] - [ -0.0018810100000000, -0.0073196500000000, -0.0007241800000000 ] - [ -0.0003792100000000, 0.0021571800000000, -0.0005222000000000 ] - [ 0.0019451600000000, 0.0016826700000000, -0.0002313900000000 ] - [ 0.0015577100000000, 0.0019772600000000, 0.0006043700000000 ] - [ -0.0007644700000000, 0.0017835500000000, -0.0001020200000000 ] - [ -0.0002716500000000, 0.0026318300000000, 0.0001896100000000 ] - [ -0.0004026000000000, 0.0011151500000000, 0.0000898800000000 ] - [ 0.0014441800000000, 0.0065191500000000, 0.0083671100000000 ] - [ -0.0012985900000000, -0.0011727400000000, -0.0005660000000000 ] - [ -0.0012980800000000, 0.0015904700000000, -0.0003987300000000 ] - [ 0.0005977500000000, 0.0028770500000000, 0.0000855400000000 ] - [ 0.0015029500000000, -0.0012792400000000, 0.0017068800000000 ] - [ -0.0010560900000000, -0.0000467400000000, -0.0002540100000000 ] - [ 0.0007864900000000, 0.0098679500000000, 0.0030793800000000 ] - [ 0.0005180800000000, 0.0009944600000000, 0.0001187400000000 ] - [ 0.0002034700000000, -0.0016952100000000, 0.0004453300000000 ] - [ -0.0003413100000000, -0.0021024800000000, 0.0003657200000000 ] - [ -0.0004856600000000, -0.0022774800000000, 0.0001506100000000 ] - [ -0.0002219400000000, -0.0009106100000000, -0.0001084000000000 ] - [ 0.0049760100000000, -0.0021849000000000, 0.0004117300000000 ] - [ -0.0002038900000000, 0.0004423300000000, -0.0007321900000000 ] - [ 0.0003828200000000, -0.0012765200000000, 0.0001054400000000 ] - [ -0.0005673400000000, -0.0016327800000000, -0.0002315700000000 ] - [ 0.0002292500000000, 0.0026607000000000, 0.0001798400000000 ] - [ 0.0007765300000000, 0.0026097000000000, 0.0011266400000000 ] - [ -0.0010549100000000, -0.0038529300000000, 0.0004173600000000 ] - [ -0.0004486800000000, -0.0008797300000000, -0.0003638200000000 ] - [ 0.0003167600000000, -0.0017856800000000, 0.0000519700000000 ] - [ 0.0004990300000000, -0.0007186400000000, 0.0000551000000000 ] - [ -0.0008573300000000, -0.0022393900000000, -0.0012406100000000 ] - [ 0.0005495100000000, -0.0003260300000000, -0.0000248500000000 ] - [ 0.0008093100000000, -0.0021320600000000, -0.0007767900000000 ] - [ -0.0007219900000000, 0.0000039600000000, 0.0001359100000000 ] - [ -0.0043574700000000, 0.0016698900000000, 0.0006569300000000 ] - [ 0.0020077100000000, 0.0006542400000000, 0.0006609600000000 ] - [ 0.0025091700000000, 0.0066007200000000, -0.0020901400000000 ] - [ -0.0003728200000000, 0.0014338200000000, -0.0005288200000000 ] - [ -0.0040745100000000, 0.0013690600000000, -0.0034327700000000 ] - [ 0.0012167300000000, 0.0007771200000000, -0.0002160400000000 ] - [ -0.0015943200000000, -0.0085641600000000, -0.0001719600000000 ] - [ 0.0003288100000000, -0.0001091500000000, 0.0000089800000000 ] - [ 0.0004523900000000, -0.0006417700000000, 0.0000287800000000 ] - [ -0.0015114700000000, -0.0016950200000000, -0.0002551300000000 ] - [ 0.0000646400000000, -0.0016214500000000, 0.0004941700000000 ] - [ -0.0012442300000000, -0.0011020200000000, 0.0002326300000000 ] - [ 0.0021272500000000, -0.0013789700000000, -0.0006444100000000 ] - [ -0.0010252400000000, -0.0001241800000000, -0.0002337700000000 ] - [ -0.0003452600000000, -0.0009042800000000, -0.0000740400000000 ] - [ 0.0013161900000000, -0.0016925400000000, 0.0007993800000000 ] - [ -0.0005433000000000, -0.0025518300000000, -0.0011979900000000 ] - [ 0.0000215700000000, 0.0003475900000000, -0.0001172600000000 ] - [ -0.0002713500000000, -0.0015328800000000, -0.0003715300000000 ] - [ -0.0001214700000000, -0.0005583700000000, -0.0002776600000000 ] - [ 0.0005843000000000, 0.0045468100000000, 0.0004156500000000 ] - [ -0.0006177800000000, 0.0027962500000000, -0.0002380800000000 ] - [ -0.0002654800000000, -0.0006330900000000, 0.0000247600000000 ] - [ 0.0006165200000000, -0.0014932300000000, 0.0003360300000000 ] - [ 0.0005262600000000, -0.0013838900000000, -0.0000777400000000 ] - [ 0.0006845900000000, -0.0005771000000000, -0.0000494600000000 ] - [ -0.0009471000000000, -0.0011475600000000, 0.0004824500000000 ] - [ 0.0000353700000000, -0.0009258600000000, 0.0008110500000000 ] - [ -0.0016225300000000, -0.0020896000000000, 0.0004651800000000 ] - [ 0.0005569300000000, -0.0002656200000000, 0.0001782800000000 ] - [ -0.0006446700000000, 0.0002762000000000, 0.0001136600000000 ] - [ 0.0015783500000000, -0.0010518200000000, 0.0005003800000000 ] - [ 0.0011448400000000, -0.0003608500000000, 0.0001390000000000 ] - [ -0.0003079800000000, -0.0008838500000000, -0.0004146000000000 ] - [ -0.0001955300000000, -0.0012255500000000, -0.0006930500000000 ] - [ 0.0001402600000000, -0.0008731200000000, -0.0006346000000000 ] - [ 0.0012104100000000, 0.0008625800000000, 0.0000268300000000 ] - [ -0.0035980500000000, 0.0020193900000000, -0.0008789700000000 ] - [ 0.0002647300000000, -0.0005885000000000, 0.0002680700000000 ] - [ -0.0001143600000000, -0.0008217500000000, 0.0001029400000000 ] - [ -0.0002526300000000, -0.0012772600000000, -0.0006845400000000 ] - [ 0.0011084200000000, -0.0002324800000000, -0.0000860300000000 ] - [ 0.0010470200000000, 0.0010046500000000, 0.0003672800000000 ] - [ -0.0014012500000000, 0.0020235200000000, -0.0007270400000000 ] - [ 0.0001491700000000, -0.0005743000000000, 0.0004250100000000 ] - [ -0.0005064700000000, -0.0000141400000000, 0.0001627200000000 ] - [ -0.0002744000000000, -0.0015223900000000, -0.0003849800000000 ] - [ 0.0007579800000000, -0.0016924300000000, -0.0002307900000000 ] - [ -0.0000234100000000, 0.0081266100000000, -0.0017302200000000 ] - [ 0.0000508500000000, 0.0002911100000000, -0.0003207600000000 ] - [ -0.0001320300000000, -0.0001784900000000, 0.0001944500000000 ] - [ 0.0005166100000000, -0.0006925700000000, 0.0003601200000000 ] - [ 0.0000194800000000, -0.0012740200000000, -0.0001179700000000 ] - [ -0.0004094900000000, -0.0005591000000000, -0.0001948700000000 ] - [ -0.0005141300000000, 0.0016197100000000, 0.0001427900000000 ] - [ -0.0020315500000000, 0.0078042400000000, -0.0001550200000000 ] - [ -0.0020732400000000, 0.0118173500000000, 0.0036602400000000 ] - [ 0.0000424900000000, 0.0014845300000000, -0.0002313000000000 ] - [ -0.0000759000000000, -0.0021876900000000, -0.0001349400000000 ] - [ -0.0002073000000000, -0.0008907600000000, 0.0000981900000000 ] - [ 0.0007558400000000, -0.0023167500000000, 0.0014584700000000 ] - [ 0.0002932900000000, -0.0001388000000000, -0.0000444900000000 ] - [ -0.0001820700000000, -0.0015904700000000, 0.0003042700000000 ] - [ -0.0005979000000000, -0.0008769100000000, 0.0001395400000000 ] - [ 0.0016960400000000, 0.0065677300000000, 0.0032012700000000 ] - [ 0.0001320800000000, 0.0011095500000000, 0.0007369400000000 ] - [ 0.0003415500000000, -0.0014088900000000, -0.0001037600000000 ] - [ 0.0002033300000000, -0.0005804700000000, -0.0001354200000000 ] - [ 0.0004907400000000, 0.0093119000000000, -0.0008613100000000 ] - [ 0.0006364200000000, 0.0014700200000000, -0.0001462900000000 ] - [ 0.0001482300000000, -0.0010882600000000, 0.0004162800000000 ] - [ 0.0004970300000000, -0.0008157200000000, 0.0005331400000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011224300000000, 0.0161273600000000, -0.0010012100000000 ] - [ 0.0000161900000000, 0.0025741600000000, -0.0001865500000000 ] - [ -0.0014396200000000, 0.0017063000000000, -0.0006108000000000 ] - [ 0.0051701300000000, -0.0012390900000000, 0.0054177100000000 ] - [ -0.0088987600000000, 0.0598067000000000, 0.0020730100000000 ] - [ 0.0001701200000000, 0.0030034400000000, -0.0000442500000000 ] - [ 0.0017392100000000, 0.0007730100000000, 0.0008573400000000 ] - [ -0.0048013700000000, -0.0024823100000000, -0.0029479500000000 ] - [ -0.0006376900000000, -0.0037902000000000, 0.0002843600000000 ] - [ -0.0003779000000000, -0.0010688400000000, 0.0003729700000000 ] - [ 0.0054168200000000, 0.0003868100000000, 0.0009109300000000 ] - [ -0.0051016400000000, -0.0007962700000000, -0.0001407200000000 ] - [ -0.0002142900000000, -0.0015645400000000, 0.0000630500000000 ] - [ -0.0001142400000000, -0.0020941800000000, 0.0001285400000000 ] - [ 0.0014254500000000, -0.0064366800000000, 0.0001544700000000 ] - [ 0.0001734500000000, -0.0006049800000000, -0.0003215800000000 ] - [ -0.0004913200000000, -0.0045690300000000, -0.0000472500000000 ] - [ 0.0001611800000000, -0.0009404600000000, 0.0001969900000000 ] - [ -0.0002387200000000, -0.0031803500000000, -0.0002215000000000 ] - [ 0.0000117500000000, -0.0006084100000000, -0.0002181300000000 ] - [ -0.0000365100000000, -0.0018404800000000, 0.0001659100000000 ] - [ 0.0002666000000000, -0.0026523100000000, 0.0001801000000000 ] - [ -0.0030207000000000, 0.0011434400000000, -0.0004856900000000 ] - [ 0.0062375200000000, -0.0008858100000000, -0.0013319700000000 ] - [ 0.0019841500000000, -0.0083179400000000, 0.0116339300000000 ] - [ -0.0005956800000000, 0.0008579000000000, -0.0001416900000000 ] - [ 0.0009976200000000, 0.0069085400000000, 0.0000000200000000 ] - [ 0.0005884800000000, 0.0035875000000000, 0.0004478000000000 ] - [ 0.0069860200000000, -0.0083395900000000, -0.0090886400000000 ] - [ -0.0010116000000000, 0.0001963500000000, -0.0000841300000000 ] - [ -0.0010712700000000, -0.0026616800000000, -0.0003728400000000 ] - [ 0.0015853700000000, -0.0026992000000000, 0.0001991100000000 ] - [ 0.0017652300000000, -0.0029077100000000, 0.0010023400000000 ] - [ -0.0001688200000000, -0.0023027400000000, 0.0001182200000000 ] - [ -0.0069908800000000, -0.0060903800000000, 0.0066458200000000 ] - [ 0.0001253600000000, 0.0002249400000000, 0.0008135200000000 ] - [ -0.0005926800000000, -0.0032380900000000, -0.0000969300000000 ] - [ -0.0004382200000000, -0.0017709800000000, -0.0001198900000000 ] - [ 0.0009809900000000, 0.0063818900000000, 0.0002699100000000 ] - [ 0.0025014100000000, 0.0066450900000000, 0.0005917400000000 ] - [ 0.0021085300000000, -0.0023215000000000, -0.0005386600000000 ] - [ -0.0002243100000000, -0.0018464800000000, -0.0008297000000000 ] - [ -0.0012508500000000, -0.0018992700000000, -0.0004112700000000 ] - [ 0.0010610500000000, -0.0017078700000000, 0.0002916200000000 ] - [ -0.0003233400000000, -0.0033196000000000, -0.0000400900000000 ] - [ -0.0001955000000000, -0.0018035700000000, 0.0000599900000000 ] - [ -0.0028502200000000, -0.0078640500000000, -0.0089981100000000 ] - [ -0.0001061800000000, -0.0002034800000000, -0.0001617200000000 ] - [ 0.0001809200000000, -0.0015190200000000, 0.0002375800000000 ] - [ -0.0017240900000000, -0.0028044300000000, -0.0002502900000000 ] - [ -0.0018439300000000, 0.0012421400000000, -0.0014590500000000 ] - [ 0.0007214000000000, 0.0000106800000000, 0.0005116600000000 ] - [ -0.0006153100000000, -0.0097895700000000, -0.0034844000000000 ] - [ -0.0002853800000000, -0.0006224600000000, -0.0001396800000000 ] - [ -0.0002353600000000, 0.0004724400000000, 0.0003042100000000 ] - [ 0.0003129800000000, 0.0008806100000000, 0.0003849200000000 ] - [ 0.0000937300000000, 0.0018398000000000, -0.0003956800000000 ] - [ -0.0001691100000000, 0.0004770200000000, -0.0001389600000000 ] - [ -0.0042663700000000, 0.0016619900000000, -0.0016721700000000 ] - [ 0.0008302500000000, -0.0007009800000000, -0.0005459300000000 ] - [ -0.0005132800000000, 0.0005765000000000, -0.0001039300000000 ] - [ 0.0004408700000000, 0.0009342300000000, 0.0002343800000000 ] - [ -0.0004286800000000, -0.0023564500000000, 0.0001597700000000 ] - [ -0.0009864200000000, -0.0023123100000000, -0.0007936000000000 ] - [ 0.0002034900000000, 0.0025912600000000, -0.0011489000000000 ] - [ -0.0004065700000000, -0.0003921600000000, -0.0003578700000000 ] - [ 0.0008031700000000, 0.0018524200000000, 0.0001105300000000 ] - [ 0.0006194200000000, 0.0007836300000000, 0.0001079600000000 ] - [ 0.0011891600000000, 0.0022000300000000, 0.0009754500000000 ] - [ -0.0002124800000000, 0.0002955600000000, -0.0002318000000000 ] - [ -0.0015830500000000, 0.0024799600000000, 0.0012365000000000 ] - [ -0.0000629300000000, 0.0003482700000000, 0.0003346400000000 ] - [ 0.0046056600000000, -0.0012235900000000, -0.0003850200000000 ] - [ -0.0017510300000000, -0.0002261000000000, -0.0003941500000000 ] - [ -0.0029619600000000, -0.0063633500000000, 0.0011578100000000 ] - [ -0.0001058400000000, -0.0011445200000000, -0.0003747200000000 ] - [ 0.0047551900000000, -0.0015478200000000, 0.0029461700000000 ] - [ -0.0005218800000000, -0.0009850500000000, -0.0002588700000000 ] - [ 0.0017169600000000, 0.0079596000000000, 0.0001713400000000 ] - [ -0.0002013100000000, -0.0005855100000000, -0.0000107700000000 ] - [ -0.0012246000000000, 0.0004971100000000, -0.0000063300000000 ] - [ 0.0007494000000000, 0.0015564000000000, 0.0002794600000000 ] - [ -0.0014690800000000, 0.0010260400000000, 0.0000684700000000 ] - [ -0.0001541300000000, 0.0005056800000000, 0.0003307600000000 ] - [ -0.0022036200000000, 0.0015292800000000, 0.0005428500000000 ] - [ 0.0009595100000000, 0.0002735200000000, 0.0001272000000000 ] - [ 0.0011982200000000, -0.0003601600000000, 0.0007937300000000 ] - [ -0.0004593300000000, 0.0004283000000000, -0.0000775300000000 ] - [ 0.0003318600000000, 0.0036470400000000, 0.0008949200000000 ] - [ -0.0002338600000000, 0.0007391100000000, -0.0001974300000000 ] - [ 0.0001104800000000, 0.0018420100000000, -0.0001503200000000 ] - [ -0.0000408400000000, 0.0008661300000000, -0.0002453100000000 ] - [ -0.0018776600000000, -0.0042103600000000, -0.0002918000000000 ] - [ -0.0007168600000000, -0.0024509700000000, 0.0003528200000000 ] - [ 0.0000317000000000, 0.0010086300000000, -0.0000043400000000 ] - [ -0.0008447200000000, 0.0018661800000000, -0.0003139200000000 ] - [ 0.0008022900000000, 0.0017323500000000, -0.0000359400000000 ] - [ 0.0006451700000000, 0.0009263500000000, -0.0000640100000000 ] - [ 0.0003187700000000, 0.0008914800000000, 0.0007953600000000 ] - [ -0.0006595400000000, 0.0006709500000000, 0.0004683000000000 ] - [ 0.0016812000000000, 0.0022351200000000, -0.0003524000000000 ] - [ -0.0004873500000000, 0.0004201300000000, -0.0000703900000000 ] - [ 0.0008540200000000, 0.0008171200000000, 0.0002010300000000 ] - [ -0.0013570600000000, 0.0021430800000000, -0.0001823600000000 ] - [ -0.0003599800000000, 0.0007070900000000, -0.0006105500000000 ] - [ 0.0010962600000000, 0.0012296200000000, -0.0000555300000000 ] - [ -0.0000078400000000, 0.0012918600000000, -0.0006587900000000 ] - [ -0.0003403200000000, 0.0009390800000000, -0.0007160000000000 ] - [ -0.0008124700000000, -0.0013076500000000, 0.0002206900000000 ] - [ 0.0039975900000000, -0.0024773800000000, 0.0011284200000000 ] - [ -0.0002296900000000, 0.0016851100000000, 0.0001524500000000 ] - [ 0.0001521300000000, 0.0019187100000000, 0.0003184800000000 ] - [ 0.0016534100000000, 0.0006912600000000, 0.0001201500000000 ] - [ 0.0002915800000000, -0.0003592600000000, -0.0004778300000000 ] - [ -0.0006464900000000, -0.0014126400000000, -0.0005923600000000 ] - [ 0.0017915300000000, -0.0024312500000000, 0.0004977300000000 ] - [ -0.0008571200000000, -0.0004805300000000, 0.0000118700000000 ] - [ -0.0001996500000000, -0.0010269200000000, 0.0002753100000000 ] - [ 0.0009783200000000, 0.0004847700000000, -0.0000536900000000 ] - [ -0.0000488700000000, 0.0006558100000000, -0.0002074100000000 ] - [ 0.0000826500000000, -0.0091801900000000, 0.0007361500000000 ] - [ -0.0000192200000000, -0.0015119900000000, -0.0004294500000000 ] - [ 0.0001712200000000, 0.0014028800000000, 0.0003636700000000 ] - [ -0.0004733100000000, 0.0019164400000000, 0.0001992000000000 ] - [ -0.0002835600000000, 0.0016955300000000, -0.0001502500000000 ] - [ 0.0001484700000000, 0.0009797100000000, -0.0000729200000000 ] - [ 0.0006783300000000, -0.0013061500000000, 0.0003796800000000 ] - [ 0.0019848200000000, -0.0074136100000000, 0.0006309200000000 ] - [ 0.0019181500000000, -0.0105280500000000, -0.0037783200000000 ] - [ -0.0000781000000000, -0.0003849000000000, -0.0001890700000000 ] - [ -0.0003182600000000, 0.0017844000000000, 0.0003618100000000 ] - [ -0.0001886300000000, 0.0004908800000000, 0.0001299900000000 ] - [ 0.0000196600000000, 0.0021752900000000, -0.0014657200000000 ] - [ 0.0004789800000000, 0.0000002200000000, 0.0000226200000000 ] - [ -0.0005158900000000, 0.0013793300000000, 0.0001682000000000 ] - [ -0.0000972900000000, 0.0006648900000000, 0.0003342800000000 ] - [ -0.0014814400000000, -0.0065575800000000, -0.0018070700000000 ] - [ 0.0000687600000000, -0.0010451600000000, 0.0006142600000000 ] - [ -0.0001359600000000, 0.0017047900000000, -0.0002342800000000 ] - [ 0.0000034300000000, 0.0008756500000000, -0.0002022600000000 ] - [ -0.0007622400000000, -0.0083937000000000, 0.0005618600000000 ] - [ -0.0006766700000000, -0.0002493000000000, -0.0004118100000000 ] - [ 0.0003264200000000, 0.0013780900000000, 0.0004867800000000 ] - [ -0.0000188100000000, 0.0011061500000000, 0.0003706800000000 ]- atom: 5 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0083656900000000, -0.0006592800000000, 0.0296175400000000 ] - [ 0.0002427900000000, 0.0002714100000000, -0.0001360200000000 ] - [ -0.0001657700000000, 0.0003615500000000, 0.0010332800000000 ] - [ 0.0047449000000000, -0.0032414800000000, 0.0016881000000000 ] - [ 0.0183240400000000, -0.0036842600000000, -0.0723495900000000 ] - [ -0.0003702900000000, 0.0007369400000000, -0.0001939800000000 ] - [ -0.0005069100000000, 0.0003121700000000, 0.0014773100000000 ] - [ 0.0033679800000000, 0.0036608600000000, 0.0018947100000000 ] - [ -0.0008229900000000, 0.0001019200000000, 0.0012928300000000 ] - [ -0.0004413500000000, 0.0000231300000000, 0.0003736000000000 ] - [ 0.0008533700000000, 0.0000185600000000, -0.0019416300000000 ] - [ -0.0031648900000000, -0.0022095600000000, -0.0011046000000000 ] - [ -0.0000440300000000, 0.0007661500000000, 0.0001432800000000 ] - [ -0.0000026400000000, 0.0008037100000000, 0.0000846100000000 ] - [ 0.0004691700000000, 0.0003094500000000, -0.0014729800000000 ] - [ 0.0001504100000000, 0.0003040300000000, -0.0003671600000000 ] - [ 0.0001087500000000, 0.0004591700000000, -0.0007825200000000 ] - [ -0.0001645500000000, 0.0004043600000000, 0.0001179100000000 ] - [ -0.0004776700000000, 0.0005242300000000, 0.0007022600000000 ] - [ -0.0001118600000000, 0.0004997100000000, -0.0002308000000000 ] - [ 0.0002266300000000, 0.0003584400000000, 0.0001981900000000 ] - [ 0.0001716100000000, 0.0003919500000000, 0.0002454400000000 ] - [ 0.0008554700000000, 0.0005775200000000, -0.0014649600000000 ] - [ -0.0035524200000000, 0.0029541100000000, -0.0005027400000000 ] - [ 0.0031894000000000, -0.0114500500000000, 0.0030208400000000 ] - [ -0.0001621800000000, -0.0000171000000000, 0.0000303600000000 ] - [ 0.0083776800000000, 0.0005268100000000, 0.0030586200000000 ] - [ 0.0000136500000000, -0.0004271800000000, 0.0017087100000000 ] - [ -0.0052534100000000, 0.0109062000000000, 0.0020553800000000 ] - [ -0.0002952900000000, -0.0007384000000000, 0.0000215100000000 ] - [ 0.0002200700000000, -0.0009242000000000, -0.0001380800000000 ] - [ 0.0004533500000000, -0.0007103600000000, -0.0002750600000000 ] - [ 0.0009468600000000, -0.0010829600000000, 0.0003482200000000 ] - [ 0.0006294000000000, -0.0006587800000000, 0.0006667800000000 ] - [ -0.0045373100000000, -0.0091388700000000, 0.0009051000000000 ] - [ -0.0008248800000000, -0.0000580700000000, 0.0004266700000000 ] - [ -0.0004979100000000, -0.0003346800000000, -0.0001852100000000 ] - [ -0.0004770300000000, -0.0003305400000000, -0.0001576700000000 ] - [ -0.0075968500000000, -0.0014067200000000, -0.0012805400000000 ] - [ 0.0009623400000000, -0.0005647500000000, -0.0020706600000000 ] - [ 0.0006168500000000, 0.0003301200000000, -0.0006600200000000 ] - [ 0.0009472500000000, -0.0000488600000000, -0.0008268900000000 ] - [ 0.0003086100000000, 0.0003891800000000, 0.0001592800000000 ] - [ 0.0001227600000000, 0.0000203300000000, 0.0002605200000000 ] - [ -0.0003184600000000, -0.0002770400000000, 0.0000702900000000 ] - [ -0.0002835500000000, -0.0003185300000000, 0.0000699400000000 ] - [ 0.0023571800000000, 0.0092413600000000, 0.0013566900000000 ] - [ -0.0007251300000000, -0.0006470400000000, -0.0002635800000000 ] - [ -0.0012731500000000, -0.0000030000000000, -0.0003252600000000 ] - [ 0.0006770000000000, -0.0000688600000000, -0.0032342200000000 ] - [ -0.0008433700000000, 0.0011281300000000, -0.0000843600000000 ] - [ -0.0002215200000000, -0.0000126300000000, -0.0003740300000000 ] - [ 0.0003213400000000, 0.0024592100000000, 0.0063069100000000 ] - [ 0.0001947000000000, 0.0001972400000000, -0.0001358100000000 ] - [ 0.0000121300000000, -0.0006528800000000, 0.0003813700000000 ] - [ -0.0000333700000000, -0.0006246200000000, 0.0004407100000000 ] - [ -0.0001783900000000, -0.0001482700000000, -0.0001172900000000 ] - [ -0.0002001300000000, -0.0002307300000000, -0.0001297400000000 ] - [ -0.0012229100000000, -0.0004568300000000, 0.0062084500000000 ] - [ 0.0005465300000000, -0.0001061100000000, -0.0005608000000000 ] - [ -0.0000009700000000, -0.0003572300000000, -0.0001973100000000 ] - [ -0.0001923400000000, -0.0007566700000000, -0.0000236700000000 ] - [ 0.0005915200000000, 0.0001605200000000, -0.0026942000000000 ] - [ -0.0008970300000000, 0.0002408700000000, -0.0001624100000000 ] - [ -0.0006002800000000, 0.0009315700000000, -0.0003603800000000 ] - [ -0.0004308800000000, -0.0006272400000000, -0.0003603500000000 ] - [ 0.0005763600000000, 0.0000491900000000, 0.0000897700000000 ] - [ 0.0005486500000000, 0.0000225700000000, 0.0000872900000000 ] - [ 0.0000228800000000, -0.0006002700000000, -0.0000553300000000 ] - [ 0.0001685600000000, -0.0000322900000000, -0.0001635500000000 ] - [ -0.0000583500000000, -0.0019652500000000, 0.0002664500000000 ] - [ -0.0004381500000000, 0.0001527100000000, 0.0002396500000000 ] - [ 0.0031748500000000, 0.0024277700000000, 0.0011576100000000 ] - [ 0.0001749600000000, 0.0002162600000000, 0.0005380000000000 ] - [ 0.0037064000000000, -0.0017944600000000, -0.0015223500000000 ] - [ -0.0003623300000000, 0.0001685800000000, -0.0003086100000000 ] - [ -0.0035209900000000, -0.0027077900000000, -0.0005572600000000 ] - [ 0.0006055800000000, -0.0001173600000000, -0.0005231600000000 ] - [ -0.0014000800000000, -0.0001219900000000, 0.0055963200000000 ] - [ 0.0001152300000000, -0.0003583500000000, 0.0000182500000000 ] - [ -0.0002514900000000, -0.0001575100000000, 0.0000760200000000 ] - [ -0.0005434100000000, 0.0000764100000000, 0.0008340200000000 ] - [ -0.0007569800000000, -0.0003153600000000, 0.0005644400000000 ] - [ -0.0006276000000000, -0.0000919700000000, 0.0003071900000000 ] - [ 0.0006381600000000, -0.0009380500000000, -0.0000341900000000 ] - [ -0.0002839300000000, 0.0000292300000000, 0.0002146400000000 ] - [ 0.0001236800000000, -0.0009339600000000, 0.0001946200000000 ] - [ 0.0006089700000000, -0.0005231500000000, -0.0004689300000000 ] - [ 0.0000290700000000, -0.0015458400000000, -0.0002668500000000 ] - [ -0.0001074800000000, 0.0005511700000000, -0.0001663800000000 ] - [ -0.0000834600000000, 0.0000762000000000, -0.0002640000000000 ] - [ -0.0000876700000000, 0.0001439400000000, -0.0002722700000000 ] - [ -0.0016331100000000, 0.0001833700000000, 0.0042373900000000 ] - [ 0.0002351000000000, 0.0001352300000000, 0.0002624700000000 ] - [ -0.0001036700000000, 0.0002037200000000, 0.0000103400000000 ] - [ -0.0001309800000000, 0.0001872100000000, 0.0000764100000000 ] - [ 0.0006900100000000, 0.0001508100000000, -0.0001235900000000 ] - [ 0.0006511500000000, 0.0001630500000000, -0.0000606400000000 ] - [ -0.0002744100000000, -0.0001571200000000, 0.0004850900000000 ] - [ -0.0003494000000000, -0.0000954500000000, 0.0006294400000000 ] - [ 0.0001552600000000, 0.0006161000000000, 0.0001709200000000 ] - [ 0.0000226200000000, 0.0000582500000000, 0.0000990500000000 ] - [ 0.0003282600000000, 0.0006887200000000, 0.0002080900000000 ] - [ -0.0000886400000000, 0.0006466200000000, 0.0008812400000000 ] - [ 0.0002473400000000, 0.0002404000000000, -0.0002412000000000 ] - [ 0.0006419100000000, 0.0003083700000000, -0.0009570400000000 ] - [ -0.0001227000000000, -0.0000256500000000, -0.0006774000000000 ] - [ -0.0000947100000000, 0.0000175900000000, -0.0006993100000000 ] - [ 0.0015405800000000, -0.0008159900000000, 0.0005187500000000 ] - [ -0.0010381200000000, -0.0003483100000000, 0.0026225000000000 ] - [ -0.0000031500000000, 0.0005608900000000, 0.0002073900000000 ] - [ 0.0000386500000000, 0.0005379800000000, 0.0001439700000000 ] - [ 0.0013968300000000, -0.0004637600000000, -0.0031771400000000 ] - [ 0.0005803900000000, -0.0002642800000000, -0.0003204900000000 ] - [ -0.0009196100000000, 0.0001559500000000, -0.0003134500000000 ] - [ 0.0006778800000000, -0.0001170000000000, -0.0025582300000000 ] - [ 0.0009563600000000, -0.0004516900000000, -0.0046352900000000 ] - [ -0.0004291100000000, -0.0004765700000000, 0.0001915200000000 ] - [ 0.0003116000000000, -0.0005484200000000, -0.0000666500000000 ] - [ 0.0004148800000000, -0.0006289600000000, -0.0001957600000000 ] - [ -0.0009947800000000, -0.0017388100000000, 0.0052336400000000 ] - [ 0.0000081200000000, -0.0006114100000000, -0.0004496400000000 ] - [ -0.0000086200000000, 0.0005536900000000, 0.0002701400000000 ] - [ 0.0000537900000000, 0.0006118300000000, 0.0001937000000000 ] - [ -0.0000880000000000, 0.0000240300000000, -0.0001631000000000 ] - [ -0.0001670100000000, 0.0001881200000000, -0.0001123600000000 ] - [ 0.0007167700000000, 0.0002336500000000, 0.0004123700000000 ] - [ -0.0017131600000000, 0.0003229200000000, 0.0060316200000000 ] - [ -0.0045137500000000, 0.0059386600000000, 0.0102523600000000 ] - [ -0.0000582800000000, 0.0005522800000000, -0.0001466100000000 ] - [ -0.0002045200000000, -0.0003174100000000, 0.0001297400000000 ] - [ -0.0002057500000000, -0.0002133800000000, 0.0001174100000000 ] - [ 0.0003180300000000, 0.0019746200000000, -0.0001599300000000 ] - [ 0.0003643300000000, -0.0000782800000000, -0.0000493200000000 ] - [ -0.0003544700000000, 0.0000352700000000, 0.0001828000000000 ] - [ -0.0003697500000000, -0.0001278200000000, 0.0001954100000000 ] - [ -0.0029908600000000, 0.0020357600000000, -0.0007273400000000 ] - [ 0.0001176000000000, 0.0000440200000000, 0.0004895900000000 ] - [ 0.0000971200000000, 0.0001239300000000, -0.0000945800000000 ] - [ 0.0001081000000000, 0.0001379700000000, -0.0001665400000000 ] - [ -0.0020259700000000, -0.0001649200000000, 0.0042614700000000 ] - [ -0.0000059900000000, 0.0006278500000000, -0.0001377000000000 ] - [ 0.0002675600000000, 0.0001499400000000, 0.0004611300000000 ] - [ 0.0002304800000000, 0.0001288100000000, 0.0004751000000000 ]- atom: 5 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ 0.0079119400000000, 0.0012480900000000, -0.0301201600000000 ] - [ -0.0006489100000000, 0.0003672400000000, -0.0003765400000000 ] - [ 0.0003840700000000, 0.0003916100000000, -0.0012957700000000 ] - [ -0.0045667200000000, 0.0039998700000000, -0.0019155900000000 ] - [ -0.0179723700000000, 0.0050856000000000, 0.0721468200000000 ] - [ 0.0004349100000000, 0.0007181900000000, 0.0000507000000000 ] - [ 0.0001024800000000, 0.0002732500000000, -0.0007832300000000 ] - [ -0.0037919800000000, -0.0030784100000000, -0.0011891800000000 ] - [ -0.0002259500000000, -0.0000913500000000, -0.0005907100000000 ] - [ -0.0006060400000000, -0.0000190100000000, 0.0003292300000000 ] - [ 0.0001815700000000, -0.0000073800000000, 0.0012367400000000 ] - [ 0.0042116600000000, 0.0022128400000000, 0.0003848000000000 ] - [ -0.0000182800000000, 0.0006889400000000, -0.0000002200000000 ] - [ -0.0000606200000000, 0.0006505200000000, 0.0000591100000000 ] - [ -0.0000576200000000, 0.0002676600000000, 0.0007806500000000 ] - [ 0.0002600100000000, 0.0002851300000000, -0.0003261800000000 ] - [ -0.0003186000000000, 0.0002921200000000, 0.0010473000000000 ] - [ -0.0000466600000000, 0.0003443800000000, 0.0001458800000000 ] - [ 0.0001014100000000, 0.0004932900000000, -0.0012199900000000 ] - [ -0.0002645500000000, 0.0005240500000000, -0.0002855000000000 ] - [ 0.0001809800000000, 0.0002808600000000, 0.0003145800000000 ] - [ 0.0002358900000000, 0.0002462200000000, 0.0002663900000000 ] - [ -0.0004828200000000, 0.0004417300000000, 0.0019808400000000 ] - [ 0.0039239800000000, -0.0019295600000000, 0.0009787600000000 ] - [ -0.0034629100000000, 0.0114659200000000, -0.0032491500000000 ] - [ -0.0001414000000000, 0.0000923200000000, -0.0002154300000000 ] - [ -0.0073577800000000, -0.0012317400000000, -0.0027392800000000 ] - [ 0.0009455300000000, -0.0002810700000000, -0.0013685000000000 ] - [ 0.0044929300000000, -0.0123718800000000, -0.0017500800000000 ] - [ -0.0004733900000000, -0.0006531100000000, 0.0002364500000000 ] - [ 0.0005533500000000, -0.0004684400000000, -0.0001212800000000 ] - [ 0.0003220200000000, -0.0006850600000000, 0.0000146700000000 ] - [ 0.0004603900000000, -0.0002898700000000, 0.0003662800000000 ] - [ 0.0007737500000000, -0.0007137800000000, 0.0000501200000000 ] - [ 0.0028223300000000, 0.0090349200000000, 0.0001887900000000 ] - [ -0.0008944000000000, -0.0001015300000000, 0.0006277800000000 ] - [ -0.0004785200000000, -0.0003761700000000, -0.0001577300000000 ] - [ -0.0004977700000000, -0.0003792700000000, -0.0001834900000000 ] - [ 0.0082174000000000, 0.0007296100000000, 0.0011825100000000 ] - [ -0.0003279500000000, -0.0001064800000000, 0.0019455400000000 ] - [ 0.0011087900000000, -0.0004948400000000, -0.0003961700000000 ] - [ 0.0007785700000000, -0.0001154100000000, -0.0002318000000000 ] - [ -0.0000068400000000, -0.0003084400000000, 0.0000302000000000 ] - [ 0.0001760100000000, 0.0000589900000000, -0.0000700300000000 ] - [ -0.0002770400000000, -0.0004117600000000, 0.0000803900000000 ] - [ -0.0003114100000000, -0.0003696800000000, 0.0000806400000000 ] - [ -0.0037329800000000, -0.0105575500000000, -0.0021181100000000 ] - [ -0.0006811700000000, -0.0007237900000000, -0.0004619200000000 ] - [ 0.0001518600000000, 0.0000684900000000, 0.0001655800000000 ] - [ -0.0017700900000000, 0.0001174200000000, 0.0030772100000000 ] - [ 0.0005033800000000, -0.0011562900000000, 0.0003474400000000 ] - [ -0.0001129600000000, -0.0000181300000000, 0.0006315100000000 ] - [ -0.0001708000000000, -0.0024549200000000, -0.0067814400000000 ] - [ 0.0000345900000000, 0.0001765700000000, 0.0001146900000000 ] - [ -0.0000419100000000, -0.0005702500000000, 0.0003676400000000 ] - [ 0.0000036000000000, -0.0005981600000000, 0.0003084500000000 ] - [ -0.0002130800000000, -0.0002867100000000, -0.0001325500000000 ] - [ -0.0001924800000000, -0.0002043400000000, -0.0001185300000000 ] - [ 0.0018691600000000, 0.0001698300000000, -0.0074877300000000 ] - [ 0.0000783000000000, -0.0001499000000000, -0.0007164600000000 ] - [ -0.0001272800000000, -0.0003398500000000, 0.0001993600000000 ] - [ 0.0000654700000000, 0.0000603400000000, 0.0000245400000000 ] - [ -0.0008106400000000, 0.0001301900000000, 0.0030296000000000 ] - [ 0.0006976500000000, 0.0000526700000000, 0.0004850400000000 ] - [ -0.0002590700000000, -0.0021988800000000, -0.0003548700000000 ] - [ -0.0004251500000000, -0.0006412700000000, -0.0003612600000000 ] - [ 0.0005424300000000, 0.0000163800000000, 0.0000742600000000 ] - [ 0.0005700400000000, 0.0000425200000000, 0.0000761700000000 ] - [ 0.0003130100000000, 0.0005690900000000, -0.0001959000000000 ] - [ 0.0001669500000000, 0.0000001000000000, -0.0000929200000000 ] - [ -0.0007262800000000, 0.0023082300000000, 0.0002108200000000 ] - [ -0.0003476700000000, 0.0001984900000000, 0.0002306100000000 ] - [ -0.0029169600000000, -0.0020155900000000, -0.0009115400000000 ] - [ 0.0000748100000000, 0.0002107100000000, -0.0002715500000000 ] - [ -0.0040501800000000, 0.0020339400000000, 0.0004205400000000 ] - [ -0.0001200800000000, 0.0001211400000000, -0.0005951900000000 ] - [ 0.0041989400000000, 0.0024900000000000, 0.0001083800000000 ] - [ 0.0000940100000000, -0.0000962900000000, 0.0000509600000000 ] - [ 0.0015307300000000, -0.0005296100000000, -0.0055996400000000 ] - [ 0.0000109200000000, -0.0003385300000000, -0.0000196100000000 ] - [ -0.0005189500000000, 0.0000167900000000, -0.0000549100000000 ] - [ -0.0002277200000000, -0.0002183500000000, -0.0008115400000000 ] - [ -0.0006419600000000, -0.0002812300000000, -0.0000002100000000 ] - [ -0.0007723700000000, -0.0005019000000000, 0.0002575000000000 ] - [ -0.0007068700000000, 0.0010958500000000, -0.0000807000000000 ] - [ 0.0002148600000000, 0.0001221700000000, -0.0003223400000000 ] - [ 0.0007323100000000, -0.0003346200000000, 0.0005279700000000 ] - [ 0.0002485900000000, -0.0007453200000000, 0.0011914500000000 ] - [ -0.0002413900000000, 0.0026411400000000, -0.0000541300000000 ] - [ -0.0001060400000000, 0.0005394100000000, -0.0001489300000000 ] - [ -0.0000787000000000, 0.0002322100000000, -0.0002600000000000 ] - [ -0.0000750500000000, 0.0001639900000000, -0.0002513800000000 ] - [ 0.0003315700000000, 0.0001607100000000, -0.0041178000000000 ] - [ -0.0015669200000000, 0.0002100400000000, -0.0001352700000000 ] - [ -0.0001279600000000, 0.0001704800000000, 0.0000098300000000 ] - [ -0.0001012100000000, 0.0001886800000000, -0.0000565100000000 ] - [ 0.0006392000000000, 0.0001973200000000, 0.0000098900000000 ] - [ 0.0006778900000000, 0.0001853300000000, -0.0000532500000000 ] - [ -0.0003513300000000, -0.0000994200000000, 0.0007931500000000 ] - [ -0.0002758600000000, -0.0001598900000000, 0.0006481000000000 ] - [ -0.0000840000000000, -0.0004627600000000, -0.0000685000000000 ] - [ 0.0000443600000000, 0.0000957100000000, 0.0000082000000000 ] - [ -0.0001163300000000, 0.0004011500000000, 0.0001058500000000 ] - [ 0.0002991900000000, 0.0004490400000000, -0.0005682700000000 ] - [ 0.0005386600000000, 0.0001098800000000, -0.0002280000000000 ] - [ 0.0001459300000000, 0.0000440600000000, 0.0004872900000000 ] - [ -0.0000781300000000, 0.0000909300000000, -0.0006721800000000 ] - [ -0.0001063000000000, 0.0000479500000000, -0.0006504100000000 ] - [ -0.0011529500000000, 0.0003835400000000, -0.0002786500000000 ] - [ 0.0014171300000000, -0.0001069300000000, -0.0023839100000000 ] - [ 0.0000400400000000, 0.0005355600000000, 0.0002147700000000 ] - [ -0.0000014100000000, 0.0005596900000000, 0.0002781500000000 ] - [ 0.0000003200000000, -0.0001436800000000, 0.0026125500000000 ] - [ 0.0008193500000000, -0.0003288400000000, -0.0002446200000000 ] - [ 0.0013098800000000, -0.0005568600000000, 0.0000888600000000 ] - [ -0.0002655600000000, -0.0002745300000000, 0.0023349600000000 ] - [ -0.0016672900000000, -0.0005622200000000, 0.0050740100000000 ] - [ -0.0002788400000000, -0.0005622000000000, 0.0002454300000000 ] - [ 0.0003966200000000, -0.0004896100000000, -0.0003707800000000 ] - [ 0.0002930000000000, -0.0004088100000000, -0.0002407400000000 ] - [ 0.0010974800000000, 0.0008832300000000, -0.0065943500000000 ] - [ 0.0000202300000000, -0.0006115000000000, -0.0003006300000000 ] - [ 0.0000504400000000, 0.0006695300000000, 0.0002896100000000 ] - [ -0.0000109100000000, 0.0006110500000000, 0.0003661600000000 ] - [ -0.0001742900000000, 0.0003971200000000, -0.0001069200000000 ] - [ -0.0000949400000000, 0.0002325200000000, -0.0001567700000000 ] - [ -0.0005559700000000, 0.0000746000000000, 0.0001071700000000 ] - [ 0.0018788200000000, -0.0000034900000000, -0.0055083200000000 ] - [ 0.0041722900000000, -0.0043110800000000, -0.0099302500000000 ] - [ 0.0000214000000000, 0.0005450200000000, -0.0002746200000000 ] - [ -0.0001918400000000, -0.0000842300000000, 0.0001007100000000 ] - [ -0.0001907900000000, -0.0001886100000000, 0.0001112400000000 ] - [ 0.0004573300000000, -0.0021234800000000, 0.0001318500000000 ] - [ 0.0004057900000000, -0.0000626900000000, 0.0000268600000000 ] - [ -0.0003426300000000, -0.0002467700000000, 0.0002920200000000 ] - [ -0.0003265600000000, -0.0000836400000000, 0.0002790200000000 ] - [ 0.0032274700000000, -0.0020333700000000, 0.0023389200000000 ] - [ 0.0000856100000000, 0.0000211700000000, 0.0008613100000000 ] - [ 0.0001080300000000, 0.0001710700000000, -0.0002434600000000 ] - [ 0.0000968200000000, 0.0001570800000000, -0.0001712800000000 ] - [ 0.0017428300000000, 0.0010911800000000, -0.0045426900000000 ] - [ -0.0000349100000000, 0.0005957400000000, -0.0004215900000000 ] - [ 0.0002097500000000, 0.0001392100000000, 0.0004410700000000 ] - [ 0.0002462900000000, 0.0001607100000000, 0.0004272500000000 ]- atom: 7 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ 0.0028025200000000, -0.0021866500000000, 0.0008591600000000 ] - [ 0.0014727400000000, 0.0073890400000000, -0.0048953400000000 ] - [ -0.0019503700000000, 0.0004356200000000, -0.0003634700000000 ] - [ 0.0013915300000000, 0.0004090300000000, 0.0001544900000000 ] - [ 0.0019115900000000, -0.0012138800000000, 0.0001138500000000 ] - [ -0.0011019000000000, 0.0053228200000000, 0.0033363600000000 ] - [ -0.0610288000000000, -0.0107995900000000, 0.0072471700000000 ] - [ 0.0038676100000000, 0.0004181500000000, 0.0009511900000000 ] - [ -0.0002416900000000, 0.0002287200000000, 0.0004526400000000 ] - [ -0.0007696500000000, -0.0000168200000000, 0.0002515300000000 ] - [ -0.0061605000000000, -0.0005679000000000, -0.0104702400000000 ] - [ 0.0041400400000000, 0.0000624700000000, 0.0010409100000000 ] - [ -0.0021019900000000, 0.0019597500000000, -0.0002052500000000 ] - [ 0.0013421400000000, 0.0006928400000000, 0.0003798400000000 ] - [ 0.0006191200000000, 0.0003494500000000, -0.0002621700000000 ] - [ -0.0002558000000000, 0.0004697000000000, -0.0004417200000000 ] - [ 0.0022213200000000, 0.0017894100000000, 0.0005634600000000 ] - [ -0.0033514600000000, -0.0049910600000000, 0.0037375700000000 ] - [ 0.0031456600000000, 0.0028619800000000, 0.0010364000000000 ] - [ 0.0027255400000000, -0.0067568800000000, -0.0044309500000000 ] - [ -0.0012773100000000, 0.0003398300000000, -0.0003650200000000 ] - [ 0.0014039100000000, 0.0005078900000000, 0.0006186700000000 ] - [ -0.0012321300000000, 0.0004838400000000, -0.0004176600000000 ] - [ 0.0013981200000000, 0.0006376700000000, 0.0006432600000000 ] - [ 0.0044082300000000, -0.0015146700000000, 0.0041838300000000 ] - [ 0.0015139700000000, 0.0002228200000000, -0.0009312300000000 ] - [ -0.0037154700000000, -0.0017766500000000, 0.0003575700000000 ] - [ 0.0025573000000000, 0.0002057400000000, 0.0007700700000000 ] - [ 0.0086196500000000, -0.0034420800000000, -0.0011308100000000 ] - [ 0.0137091200000000, 0.0017777200000000, 0.0045322600000000 ] - [ -0.0001989500000000, -0.0004479300000000, -0.0003205500000000 ] - [ 0.0009835200000000, -0.0007301800000000, 0.0000436800000000 ] - [ -0.0070653000000000, 0.0039207000000000, 0.0033089100000000 ] - [ 0.0028417500000000, -0.0011573200000000, 0.0009919200000000 ] - [ -0.0007875800000000, -0.0008353700000000, 0.0005070200000000 ] - [ -0.0004757400000000, 0.0010499500000000, 0.0006446400000000 ] - [ -0.0002743100000000, 0.0009990300000000, 0.0000384900000000 ] - [ -0.0001727100000000, -0.0014173200000000, -0.0001032700000000 ] - [ -0.0009477300000000, -0.0059843200000000, -0.0022554400000000 ] - [ 0.0028333600000000, 0.0006085600000000, 0.0006326600000000 ] - [ -0.0007421200000000, 0.0107194900000000, -0.0076782900000000 ] - [ 0.0037090700000000, -0.0010475900000000, 0.0002602800000000 ] - [ -0.0004285500000000, 0.0002561200000000, -0.0000185500000000 ] - [ 0.0007250800000000, 0.0000328800000000, 0.0002245300000000 ] - [ 0.0001130700000000, 0.0012386400000000, 0.0000199500000000 ] - [ -0.0000311300000000, -0.0017794000000000, 0.0002087700000000 ] - [ -0.0007147300000000, -0.0013495300000000, -0.0003207200000000 ] - [ -0.0004186800000000, 0.0002458700000000, -0.0002813600000000 ] - [ 0.0010053900000000, -0.0008187000000000, 0.0004653800000000 ] - [ -0.0015925500000000, 0.0002878200000000, -0.0003923200000000 ] - [ 0.0063849000000000, 0.0000119500000000, 0.0010249300000000 ] - [ -0.0020125800000000, 0.0004748500000000, -0.0002751500000000 ] - [ -0.0018488600000000, 0.0005939000000000, -0.0001961500000000 ] - [ 0.0136979200000000, 0.0067174200000000, 0.0035141200000000 ] - [ 0.0018188000000000, -0.0015271000000000, 0.0013834100000000 ] - [ -0.0010384300000000, -0.0005365800000000, 0.0000843700000000 ] - [ -0.0003773700000000, -0.0005375900000000, -0.0001378500000000 ] - [ -0.0000654300000000, 0.0000931900000000, -0.0001101800000000 ] - [ -0.0010120200000000, 0.0010106300000000, -0.0001716500000000 ] - [ -0.0015492000000000, -0.0005528400000000, -0.0031773800000000 ] - [ 0.0060969600000000, -0.0000678800000000, -0.0003498800000000 ] - [ -0.0012103600000000, -0.0002163300000000, -0.0001153600000000 ] - [ 0.0015644900000000, 0.0022955600000000, -0.0002598000000000 ] - [ -0.0010963800000000, -0.0003092500000000, 0.0000788100000000 ] - [ -0.0019600600000000, -0.0017389400000000, -0.0013686000000000 ] - [ -0.0003959600000000, 0.0001180000000000, 0.0003108400000000 ] - [ -0.0001708000000000, -0.0006737300000000, -0.0002583900000000 ] - [ 0.0013112800000000, 0.0014220200000000, 0.0005174300000000 ] - [ 0.0002760200000000, 0.0000336200000000, -0.0001150000000000 ] - [ 0.0000160300000000, -0.0001643300000000, -0.0001659300000000 ] - [ -0.0007173600000000, 0.0002412300000000, 0.0001344500000000 ] - [ -0.0000448700000000, -0.0000377300000000, 0.0003374900000000 ] - [ 0.0005603500000000, 0.0009862100000000, 0.0004515100000000 ] - [ -0.0005146600000000, -0.0002721600000000, -0.0001186400000000 ] - [ -0.0018416100000000, 0.0028251100000000, 0.0002096100000000 ] - [ -0.0029546400000000, -0.0018017700000000, -0.0011722600000000 ] - [ 0.0009062600000000, 0.0004512700000000, -0.0002125400000000 ] - [ -0.0002502100000000, -0.0004903600000000, -0.0003648300000000 ] - [ -0.0000268200000000, 0.0000093400000000, 0.0000017500000000 ] - [ 0.0000846700000000, -0.0009889700000000, -0.0000599100000000 ] - [ 0.0067603400000000, -0.0005293300000000, 0.0011980600000000 ] - [ -0.0021142500000000, 0.0001534200000000, -0.0003696800000000 ] - [ 0.0008287600000000, -0.0017039100000000, 0.0020107100000000 ] - [ -0.0017815500000000, -0.0000006000000000, -0.0003150800000000 ] - [ 0.0006570900000000, -0.0011877000000000, 0.0026103400000000 ] - [ -0.0032084700000000, 0.0006811100000000, -0.0007334000000000 ] - [ 0.0007681000000000, -0.0007417900000000, 0.0004680900000000 ] - [ 0.0001343100000000, -0.0006313100000000, 0.0002550700000000 ] - [ -0.0028137900000000, -0.0002870800000000, -0.0003468500000000 ] - [ 0.0040075300000000, 0.0030840000000000, -0.0005930300000000 ] - [ -0.0010453800000000, -0.0005047600000000, -0.0004132300000000 ] - [ 0.0011046400000000, 0.0018518100000000, -0.0001683800000000 ] - [ 0.0000702700000000, 0.0009728000000000, 0.0015962300000000 ] - [ -0.0017259400000000, -0.0001165700000000, -0.0004338600000000 ] - [ 0.0003600600000000, 0.0000374400000000, 0.0002102200000000 ] - [ -0.0005164900000000, 0.0001832600000000, -0.0001145400000000 ] - [ 0.0005748000000000, -0.0005250800000000, -0.0001434800000000 ] - [ 0.0004996400000000, 0.0007639000000000, -0.0000067400000000 ] - [ -0.0000684100000000, -0.0002490300000000, 0.0006876000000000 ] - [ -0.0005912000000000, -0.0001282200000000, 0.0005752700000000 ] - [ 0.0001490700000000, 0.0001653200000000, 0.0001030300000000 ] - [ -0.0001484200000000, -0.0001003500000000, -0.0000010400000000 ] - [ 0.0004924100000000, 0.0004880600000000, 0.0002479500000000 ] - [ -0.0002463200000000, 0.0005228200000000, 0.0000816200000000 ] - [ 0.0084946300000000, -0.0008022400000000, -0.0005072400000000 ] - [ -0.0013943200000000, 0.0003139400000000, -0.0008260400000000 ] - [ 0.0003765000000000, -0.0003490500000000, -0.0006251500000000 ] - [ -0.0005662500000000, 0.0002541800000000, -0.0007765600000000 ] - [ 0.0080341600000000, -0.0065030500000000, -0.0064855100000000 ] - [ -0.0012224900000000, -0.0001518600000000, -0.0001072600000000 ] - [ 0.0018731100000000, 0.0006233600000000, 0.0001689700000000 ] - [ -0.0008461300000000, 0.0006068700000000, 0.0000011200000000 ] - [ 0.0007224600000000, 0.0000095000000000, -0.0003033100000000 ] - [ 0.0005371400000000, -0.0006901500000000, -0.0002807200000000 ] - [ 0.0067661000000000, 0.0016805700000000, -0.0001438200000000 ] - [ -0.0012572000000000, -0.0002011400000000, -0.0006184200000000 ] - [ -0.0039358100000000, 0.0006337900000000, -0.0013305100000000 ] - [ -0.0046107500000000, -0.0015006800000000, 0.0030091400000000 ] - [ 0.0006162400000000, -0.0005857400000000, -0.0001361700000000 ] - [ 0.0000881800000000, -0.0005579100000000, -0.0002954600000000 ] - [ -0.0005820900000000, 0.0002185600000000, -0.0004524500000000 ] - [ 0.0002578000000000, -0.0025320900000000, -0.0004418100000000 ] - [ 0.0005368800000000, 0.0005243000000000, 0.0003469200000000 ] - [ -0.0003981200000000, 0.0005867800000000, 0.0001877800000000 ] - [ -0.0010678100000000, -0.0021423700000000, -0.0000474600000000 ] - [ -0.0012970700000000, 0.0015883700000000, -0.0005298600000000 ] - [ 0.0020481800000000, 0.0004984400000000, 0.0006785100000000 ] - [ -0.0009931200000000, 0.0002821400000000, -0.0000052600000000 ] - [ -0.0003839900000000, 0.0013381400000000, -0.0003923100000000 ] - [ 0.0001942700000000, -0.0008497100000000, 0.0000812800000000 ] - [ -0.0004682100000000, -0.0004766400000000, 0.0000183600000000 ] - [ 0.0000697300000000, 0.0000577800000000, 0.0001972400000000 ] - [ 0.0000836600000000, 0.0000027000000000, -0.0000742200000000 ] - [ 0.0007444100000000, -0.0003253300000000, 0.0000702200000000 ] - [ -0.0006210800000000, -0.0018086600000000, -0.0003318400000000 ] - [ -0.0012778600000000, 0.0005229500000000, 0.0003145000000000 ] - [ -0.0000282700000000, 0.0021886700000000, -0.0004755100000000 ] - [ -0.0010715500000000, -0.0008410700000000, 0.0006972100000000 ] - [ -0.0000376000000000, -0.0004419400000000, -0.0001171200000000 ] - [ -0.0001528600000000, 0.0008645200000000, -0.0003447500000000 ] - [ -0.0017537300000000, 0.0009927200000000, -0.0010426000000000 ] - [ 0.0019018900000000, 0.0002197600000000, 0.0008628700000000 ] - [ 0.0006671000000000, -0.0003504700000000, 0.0006585800000000 ] - [ -0.0002471700000000, 0.0004454300000000, 0.0002824400000000 ]- atom: 7 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ -0.0032109600000000, 0.0028410500000000, -0.0013763200000000 ] - [ -0.0019021600000000, -0.0067084200000000, 0.0043518400000000 ] - [ 0.0021569100000000, 0.0003037300000000, 0.0000984500000000 ] - [ -0.0011794100000000, 0.0003430800000000, -0.0004175200000000 ] - [ -0.0018431700000000, 0.0026743800000000, -0.0002510500000000 ] - [ 0.0011442700000000, -0.0038551500000000, -0.0034731700000000 ] - [ 0.0599841400000000, 0.0112744400000000, -0.0070083200000000 ] - [ -0.0042746200000000, 0.0001700300000000, -0.0002568400000000 ] - [ -0.0008041200000000, -0.0002236900000000, 0.0002499800000000 ] - [ -0.0002831600000000, 0.0000215100000000, 0.0004493700000000 ] - [ 0.0072299700000000, 0.0005803500000000, 0.0098032300000000 ] - [ -0.0030869100000000, -0.0000564200000000, -0.0017410400000000 ] - [ 0.0020372900000000, -0.0004889500000000, 0.0003475600000000 ] - [ -0.0014042400000000, 0.0007573500000000, -0.0002368100000000 ] - [ -0.0002069800000000, 0.0002390100000000, -0.0004308000000000 ] - [ 0.0006616000000000, 0.0001192300000000, -0.0002529000000000 ] - [ -0.0024267000000000, -0.0010478600000000, -0.0002942800000000 ] - [ 0.0030985000000000, 0.0057333500000000, -0.0034663100000000 ] - [ -0.0035207100000000, -0.0018551700000000, -0.0015590100000000 ] - [ -0.0031058200000000, 0.0077369700000000, 0.0038787700000000 ] - [ 0.0016828400000000, 0.0003044600000000, 0.0008773500000000 ] - [ -0.0009950600000000, 0.0001271100000000, -0.0001054700000000 ] - [ 0.0016072200000000, 0.0005330000000000, 0.0009340600000000 ] - [ -0.0010202900000000, 0.0003889100000000, -0.0001266000000000 ] - [ -0.0046921200000000, 0.0015848500000000, -0.0043952400000000 ] - [ -0.0018241100000000, -0.0001445800000000, 0.0007255300000000 ] - [ 0.0047218100000000, 0.0010358600000000, 0.0000025600000000 ] - [ -0.0015793900000000, -0.0009080500000000, -0.0004251000000000 ] - [ -0.0094507600000000, 0.0020619600000000, 0.0014213100000000 ] - [ -0.0143417900000000, -0.0031381500000000, -0.0042141800000000 ] - [ 0.0009739100000000, -0.0009443200000000, 0.0000602200000000 ] - [ -0.0002104900000000, -0.0006629700000000, -0.0003049300000000 ] - [ 0.0085055200000000, -0.0052533000000000, -0.0025478400000000 ] - [ -0.0014394400000000, -0.0002215600000000, -0.0002751100000000 ] - [ -0.0009312900000000, 0.0006798400000000, 0.0005472000000000 ] - [ -0.0012522300000000, -0.0012041600000000, 0.0004071300000000 ] - [ -0.0006955900000000, -0.0017075100000000, -0.0003775500000000 ] - [ -0.0008067700000000, 0.0007051900000000, -0.0002396400000000 ] - [ 0.0015736800000000, 0.0052893400000000, 0.0021235800000000 ] - [ -0.0022384500000000, -0.0012841600000000, -0.0007719400000000 ] - [ 0.0025298600000000, -0.0109353300000000, 0.0066466100000000 ] - [ -0.0019799200000000, 0.0008743900000000, -0.0013174500000000 ] - [ 0.0007305700000000, -0.0001761200000000, 0.0002090100000000 ] - [ -0.0004262600000000, 0.0000452100000000, -0.0000345200000000 ] - [ -0.0007039600000000, -0.0019299100000000, 0.0001310500000000 ] - [ -0.0005693500000000, 0.0010873900000000, -0.0000588300000000 ] - [ -0.0006848700000000, -0.0000214900000000, -0.0004041300000000 ] - [ -0.0009890700000000, -0.0016140800000000, -0.0004474200000000 ] - [ -0.0021161600000000, 0.0008941000000000, -0.0006274800000000 ] - [ 0.0004733400000000, -0.0002255900000000, 0.0002290600000000 ] - [ -0.0068822900000000, -0.0000990700000000, -0.0010077700000000 ] - [ 0.0016723200000000, -0.0005036900000000, 0.0005340400000000 ] - [ 0.0020816700000000, -0.0002239000000000, 0.0001714500000000 ] - [ -0.0129260800000000, -0.0058211700000000, -0.0032737800000000 ] - [ -0.0018471700000000, 0.0002921800000000, -0.0006276800000000 ] - [ 0.0010072800000000, -0.0006833500000000, 0.0006644600000000 ] - [ -0.0000155200000000, 0.0001025100000000, -0.0001099100000000 ] - [ -0.0003248700000000, -0.0005278500000000, -0.0001378500000000 ] - [ 0.0016340500000000, -0.0012663700000000, -0.0011216300000000 ] - [ 0.0021725800000000, 0.0002918500000000, 0.0018849600000000 ] - [ -0.0062487700000000, -0.0007052200000000, 0.0003605600000000 ] - [ 0.0010809600000000, -0.0004773000000000, 0.0001176900000000 ] - [ -0.0017812200000000, -0.0019889400000000, 0.0005982700000000 ] - [ 0.0008892500000000, 0.0006009000000000, 0.0002592200000000 ] - [ 0.0010962600000000, 0.0004719400000000, 0.0006492900000000 ] - [ -0.0004497900000000, -0.0013812400000000, -0.0010228800000000 ] - [ 0.0012864300000000, 0.0007411300000000, 0.0004214600000000 ] - [ -0.0001869400000000, -0.0013539400000000, -0.0003505000000000 ] - [ 0.0000583800000000, -0.0000655300000000, -0.0001426900000000 ] - [ 0.0003212100000000, 0.0001320500000000, -0.0000906900000000 ] - [ -0.0000692600000000, 0.0001086600000000, 0.0003353500000000 ] - [ -0.0007380400000000, 0.0003885600000000, 0.0001335300000000 ] - [ -0.0003000800000000, -0.0005621600000000, -0.0001837800000000 ] - [ 0.0007803500000000, 0.0006903000000000, 0.0003868500000000 ] - [ 0.0013618900000000, -0.0025538800000000, -0.0011250100000000 ] - [ 0.0024757900000000, 0.0020807500000000, 0.0002661700000000 ] - [ -0.0002140700000000, -0.0006589600000000, -0.0002635000000000 ] - [ 0.0009475200000000, 0.0002758400000000, -0.0001095400000000 ] - [ 0.0001530800000000, -0.0007069600000000, -0.0000046800000000 ] - [ 0.0000447800000000, 0.0002904100000000, 0.0000582700000000 ] - [ -0.0075307100000000, 0.0004019500000000, -0.0012239200000000 ] - [ 0.0013402500000000, -0.0002915100000000, 0.0003905400000000 ] - [ -0.0022377400000000, 0.0011071500000000, -0.0014614600000000 ] - [ 0.0003805900000000, -0.0005899900000000, 0.0008773700000000 ] - [ -0.0011288000000000, 0.0012541800000000, -0.0025625600000000 ] - [ 0.0031295500000000, -0.0005221100000000, 0.0006214300000000 ] - [ 0.0000878100000000, -0.0005245600000000, 0.0002531700000000 ] - [ 0.0007220400000000, -0.0006380100000000, 0.0004664300000000 ] - [ 0.0026060300000000, 0.0013827800000000, 0.0000279700000000 ] - [ -0.0037512500000000, -0.0021946000000000, 0.0004185400000000 ] - [ 0.0008816700000000, 0.0008152100000000, -0.0001108900000000 ] - [ -0.0012577400000000, -0.0015398400000000, -0.0003543300000000 ] - [ -0.0014109700000000, -0.0006140400000000, -0.0014882500000000 ] - [ 0.0003957900000000, 0.0004614600000000, 0.0005466800000000 ] - [ -0.0005907500000000, 0.0003350200000000, -0.0001887200000000 ] - [ 0.0002840900000000, 0.0001919500000000, 0.0001347400000000 ] - [ 0.0007516800000000, 0.0008731600000000, 0.0000299800000000 ] - [ 0.0008308300000000, -0.0004136000000000, -0.0001056800000000 ] - [ -0.0005586000000000, -0.0000077500000000, 0.0005905100000000 ] - [ -0.0000334300000000, -0.0001265900000000, 0.0007031000000000 ] - [ -0.0000827800000000, -0.0000126000000000, 0.0000044600000000 ] - [ 0.0002174600000000, 0.0002524300000000, 0.0001089400000000 ] - [ -0.0002798900000000, 0.0006034300000000, 0.0000671100000000 ] - [ 0.0004583700000000, 0.0005664000000000, 0.0002331600000000 ] - [ -0.0076591700000000, 0.0010824100000000, -0.0000536400000000 ] - [ 0.0021792800000000, 0.0000391700000000, 0.0003557800000000 ] - [ -0.0005794300000000, 0.0004125400000000, -0.0007257300000000 ] - [ 0.0003654500000000, -0.0001872900000000, -0.0005733000000000 ] - [ -0.0076127300000000, 0.0061611000000000, 0.0068495400000000 ] - [ 0.0016120200000000, -0.0002858700000000, 0.0003537900000000 ] - [ -0.0018312600000000, 0.0004630600000000, 0.0002489700000000 ] - [ 0.0008818500000000, 0.0004933800000000, 0.0004206000000000 ] - [ 0.0006758600000000, -0.0006031400000000, -0.0002603500000000 ] - [ 0.0008645600000000, 0.0000948000000000, -0.0002822800000000 ] - [ -0.0063789000000000, -0.0020875300000000, -0.0000725100000000 ] - [ 0.0016519700000000, -0.0002027700000000, 0.0003897900000000 ] - [ 0.0032522400000000, -0.0016790500000000, 0.0017859100000000 ] - [ 0.0038622600000000, 0.0004492900000000, -0.0025403600000000 ] - [ 0.0000906900000000, -0.0004526600000000, -0.0003017500000000 ] - [ 0.0006196200000000, -0.0004798300000000, -0.0001422100000000 ] - [ 0.0006117500000000, -0.0014449300000000, -0.0002985200000000 ] - [ -0.0002223000000000, 0.0013051400000000, -0.0003074000000000 ] - [ -0.0004937800000000, 0.0006973700000000, 0.0002122000000000 ] - [ 0.0004388000000000, 0.0006373600000000, 0.0003714000000000 ] - [ 0.0007986000000000, 0.0025722600000000, -0.0002232900000000 ] - [ 0.0010362700000000, -0.0011608600000000, 0.0002607400000000 ] - [ -0.0018800500000000, -0.0001820400000000, -0.0001524200000000 ] - [ 0.0011528600000000, 0.0000235000000000, 0.0005282200000000 ] - [ 0.0003444000000000, -0.0002433600000000, -0.0000284300000000 ] - [ -0.0002272600000000, 0.0019442400000000, -0.0004995600000000 ] - [ 0.0000708900000000, 0.0000754200000000, 0.0002097900000000 ] - [ -0.0004637200000000, -0.0004589400000000, 0.0000319700000000 ] - [ 0.0006865300000000, -0.0001442800000000, 0.0000520500000000 ] - [ 0.0000297500000000, 0.0001847800000000, -0.0000915200000000 ] - [ -0.0000864900000000, 0.0015944800000000, 0.0008030500000000 ] - [ 0.0005826500000000, -0.0007305200000000, 0.0001612800000000 ] - [ 0.0002150900000000, -0.0021293900000000, 0.0018315100000000 ] - [ 0.0012749200000000, 0.0009007000000000, 0.0006574400000000 ] - [ 0.0002407000000000, 0.0007378900000000, -0.0002226100000000 ] - [ 0.0003609000000000, -0.0005687300000000, 0.0000072600000000 ] - [ 0.0017081000000000, 0.0002278900000000, 0.0004859900000000 ] - [ -0.0019235700000000, 0.0010029300000000, -0.0014098600000000 ] - [ -0.0001923100000000, 0.0006390200000000, 0.0002439800000000 ] - [ 0.0007246700000000, -0.0001541700000000, 0.0006204300000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0021873600000000, -0.0004968800000000, -0.0008167700000000 ] - [ 0.0074349400000000, 0.0033902000000000, -0.0031731800000000 ] - [ 0.0007458200000000, 0.0058055500000000, -0.0000067500000000 ] - [ 0.0002127500000000, 0.0015028800000000, -0.0001347800000000 ] - [ -0.0016840100000000, 0.0002501500000000, -0.0005067900000000 ] - [ 0.0038534800000000, 0.0035040800000000, 0.0044359800000000 ] - [ -0.0112758700000000, -0.0937915200000000, -0.0105427400000000 ] - [ -0.0000792700000000, -0.0018692300000000, 0.0003593700000000 ] - [ -0.0003961500000000, 0.0022515500000000, 0.0004046800000000 ] - [ -0.0007314900000000, 0.0028552100000000, 0.0003053900000000 ] - [ -0.0004763300000000, -0.0157646900000000, 0.0005464800000000 ] - [ 0.0008523900000000, -0.0022418800000000, -0.0002509900000000 ] - [ 0.0001914000000000, 0.0074615100000000, 0.0001088400000000 ] - [ -0.0001063000000000, 0.0016275300000000, 0.0000417900000000 ] - [ 0.0001476300000000, 0.0022504500000000, -0.0004000600000000 ] - [ 0.0000307100000000, 0.0033725900000000, -0.0004165500000000 ] - [ 0.0014450800000000, -0.0005119300000000, 0.0005259200000000 ] - [ -0.0053384300000000, 0.0038557200000000, -0.0055702600000000 ] - [ 0.0026883600000000, -0.0006085200000000, 0.0005435600000000 ] - [ -0.0075033800000000, 0.0023722900000000, 0.0015547000000000 ] - [ 0.0001968700000000, 0.0041581600000000, 0.0003136600000000 ] - [ 0.0002994600000000, 0.0013745600000000, 0.0002991600000000 ] - [ 0.0001802600000000, 0.0041933300000000, 0.0002493600000000 ] - [ 0.0004090200000000, 0.0016752800000000, 0.0003430900000000 ] - [ 0.0002751000000000, -0.0048912600000000, -0.0002096100000000 ] - [ 0.0003932700000000, -0.0044795400000000, 0.0000361600000000 ] - [ -0.0030732700000000, 0.0055662700000000, -0.0053869300000000 ] - [ 0.0014182300000000, -0.0005660600000000, 0.0003938600000000 ] - [ -0.0006583100000000, -0.0059523400000000, 0.0003254300000000 ] - [ 0.0032140300000000, -0.0103798700000000, 0.0007456200000000 ] - [ 0.0004134800000000, 0.0021576900000000, -0.0001836500000000 ] - [ 0.0004033700000000, 0.0007464400000000, -0.0001478400000000 ] - [ 0.0050713700000000, 0.0049358200000000, 0.0142697000000000 ] - [ 0.0001146000000000, -0.0018336600000000, 0.0001792100000000 ] - [ -0.0019537000000000, 0.0017756200000000, 0.0003358700000000 ] - [ 0.0001965900000000, 0.0021170300000000, 0.0007941100000000 ] - [ 0.0008236300000000, 0.0016025700000000, 0.0004565400000000 ] - [ -0.0015263900000000, 0.0011963200000000, -0.0006379300000000 ] - [ -0.0054705600000000, 0.0064736500000000, 0.0031698100000000 ] - [ 0.0016308300000000, -0.0004216600000000, 0.0003538300000000 ] - [ 0.0114318200000000, 0.0053504200000000, -0.0099572600000000 ] - [ -0.0000936000000000, -0.0011758200000000, -0.0007869200000000 ] - [ 0.0001863400000000, 0.0029699900000000, 0.0001441100000000 ] - [ 0.0001982600000000, 0.0014775800000000, 0.0001225500000000 ] - [ 0.0010544300000000, 0.0015891100000000, 0.0002001200000000 ] - [ -0.0018481800000000, 0.0016528800000000, -0.0002106500000000 ] - [ -0.0017013900000000, 0.0011614500000000, -0.0007072000000000 ] - [ 0.0001257100000000, 0.0013259000000000, -0.0000965000000000 ] - [ -0.0010591600000000, -0.0026125100000000, 0.0006472400000000 ] - [ -0.0004980700000000, -0.0001489800000000, -0.0000597700000000 ] - [ -0.0011386800000000, 0.0079300100000000, -0.0012491900000000 ] - [ -0.0002291500000000, 0.0012235600000000, 0.0001014000000000 ] - [ 0.0006906000000000, 0.0013509700000000, 0.0001409600000000 ] - [ 0.0054464300000000, 0.0123168800000000, 0.0024998200000000 ] - [ -0.0000145100000000, -0.0035819300000000, 0.0022935600000000 ] - [ -0.0000308800000000, -0.0006745300000000, 0.0003788300000000 ] - [ -0.0005222700000000, -0.0012575800000000, -0.0001229900000000 ] - [ -0.0000419300000000, -0.0017213200000000, -0.0000209900000000 ] - [ 0.0003877500000000, 0.0020262200000000, -0.0006852500000000 ] - [ -0.0007047500000000, 0.0022734900000000, -0.0015027700000000 ] - [ 0.0011267100000000, 0.0097971200000000, 0.0004270000000000 ] - [ 0.0001837300000000, 0.0002645900000000, 0.0000193100000000 ] - [ 0.0015167100000000, -0.0047101200000000, 0.0007036300000000 ] - [ -0.0006031300000000, 0.0000256800000000, 0.0001309900000000 ] - [ -0.0010424200000000, 0.0004618100000000, -0.0006833000000000 ] - [ 0.0011944000000000, 0.0019124100000000, 0.0003908800000000 ] - [ -0.0001547600000000, -0.0002705700000000, -0.0002182200000000 ] - [ 0.0012797000000000, -0.0011598700000000, 0.0003672400000000 ] - [ 0.0001515300000000, -0.0011732900000000, -0.0001399300000000 ] - [ 0.0000023400000000, -0.0009784400000000, -0.0001969500000000 ] - [ -0.0003705400000000, -0.0006300900000000, 0.0002137000000000 ] - [ -0.0007815400000000, -0.0012579000000000, 0.0000756600000000 ] - [ 0.0011934700000000, -0.0014221600000000, -0.0000318900000000 ] - [ -0.0003689700000000, -0.0003107500000000, -0.0000656200000000 ] - [ 0.0031029200000000, 0.0008953800000000, -0.0003551800000000 ] - [ -0.0029248600000000, 0.0001008200000000, -0.0010240200000000 ] - [ 0.0012284600000000, -0.0016257900000000, 0.0003980600000000 ] - [ -0.0001513100000000, -0.0005347100000000, -0.0003389800000000 ] - [ 0.0004954800000000, -0.0012271500000000, 0.0001172700000000 ] - [ -0.0002448600000000, -0.0017346600000000, -0.0001904000000000 ] - [ -0.0005727900000000, 0.0087165100000000, -0.0010545300000000 ] - [ -0.0006594200000000, 0.0007834800000000, -0.0000084800000000 ] - [ -0.0020352100000000, 0.0006492300000000, -0.0000008200000000 ] - [ -0.0002507700000000, 0.0004115500000000, 0.0005031300000000 ] - [ -0.0027384300000000, 0.0076515300000000, 0.0008971700000000 ] - [ 0.0003546000000000, 0.0016147300000000, -0.0000382000000000 ] - [ 0.0006875100000000, -0.0026053100000000, 0.0006462900000000 ] - [ 0.0004501700000000, -0.0013680800000000, 0.0003961000000000 ] - [ -0.0007854000000000, 0.0016911400000000, -0.0002687800000000 ] - [ 0.0017931100000000, 0.0078482200000000, 0.0003880100000000 ] - [ -0.0008111600000000, -0.0001381600000000, -0.0003796500000000 ] - [ 0.0015506700000000, -0.0018914500000000, 0.0000684400000000 ] - [ 0.0008615900000000, -0.0003895100000000, 0.0002655900000000 ] - [ -0.0012269400000000, 0.0004838900000000, -0.0002025600000000 ] - [ 0.0001613900000000, -0.0016963800000000, 0.0003442600000000 ] - [ -0.0000463800000000, -0.0004882700000000, 0.0000632600000000 ] - [ 0.0000129400000000, -0.0009491600000000, -0.0002083400000000 ] - [ 0.0011333200000000, -0.0008058500000000, -0.0000514400000000 ] - [ -0.0005250000000000, -0.0015323100000000, 0.0005826700000000 ] - [ -0.0003260200000000, -0.0008216600000000, 0.0006373100000000 ] - [ 0.0000032800000000, -0.0011235000000000, 0.0000438700000000 ] - [ -0.0001951700000000, -0.0009060800000000, 0.0000017800000000 ] - [ 0.0002297300000000, -0.0014126600000000, -0.0000140300000000 ] - [ 0.0000978100000000, -0.0001965100000000, 0.0001237000000000 ] - [ 0.0004959500000000, 0.0075941600000000, -0.0007427400000000 ] - [ -0.0000168600000000, 0.0010845900000000, -0.0003840800000000 ] - [ -0.0003938400000000, -0.0013880700000000, -0.0008984900000000 ] - [ 0.0002336700000000, -0.0006671300000000, -0.0005643400000000 ] - [ -0.0052207800000000, 0.0191028100000000, 0.0129171000000000 ] - [ -0.0001586300000000, 0.0007224700000000, 0.0001008600000000 ] - [ 0.0007673500000000, -0.0024869600000000, -0.0014334000000000 ] - [ 0.0000026700000000, 0.0004740300000000, 0.0001955600000000 ] - [ 0.0012275600000000, -0.0014187000000000, -0.0001255500000000 ] - [ 0.0004056700000000, -0.0012717100000000, -0.0002928400000000 ] - [ 0.0023524200000000, 0.0124817100000000, -0.0057411000000000 ] - [ 0.0001655000000000, 0.0005954300000000, -0.0001859100000000 ] - [ -0.0002935300000000, 0.0017476400000000, 0.0002284500000000 ] - [ -0.0015532300000000, 0.0034130700000000, 0.0006542100000000 ] - [ 0.0002365500000000, -0.0021763400000000, -0.0002451700000000 ] - [ 0.0003054400000000, -0.0012748500000000, -0.0002354100000000 ] - [ 0.0005811700000000, -0.0010099000000000, -0.0002498900000000 ] - [ -0.0010685300000000, -0.0025802700000000, -0.0007317800000000 ] - [ 0.0003804000000000, -0.0011447100000000, 0.0001554800000000 ] - [ 0.0000380200000000, -0.0000132100000000, 0.0002652700000000 ] - [ -0.0028679100000000, -0.0009316200000000, 0.0000223900000000 ] - [ 0.0012162000000000, 0.0000355000000000, 0.0003202700000000 ] - [ -0.0001448600000000, -0.0025055500000000, -0.0007268200000000 ] - [ 0.0001659200000000, -0.0000103000000000, 0.0002850800000000 ] - [ 0.0004977100000000, 0.0001841800000000, -0.0000547500000000 ] - [ -0.0007945300000000, -0.0009180400000000, -0.0002343400000000 ] - [ -0.0004450500000000, -0.0011262000000000, -0.0000209900000000 ] - [ 0.0001470000000000, -0.0015752300000000, 0.0001702500000000 ] - [ 0.0004013000000000, -0.0009052000000000, 0.0000336100000000 ] - [ -0.0001924800000000, -0.0017481400000000, -0.0000522800000000 ] - [ -0.0027328700000000, -0.0015844700000000, -0.0014177200000000 ] - [ 0.0007260300000000, -0.0001092600000000, 0.0002812000000000 ] - [ 0.0027579500000000, 0.0011321800000000, 0.0023197000000000 ] - [ -0.0010551900000000, 0.0007382500000000, 0.0005086000000000 ] - [ -0.0004889500000000, -0.0003982900000000, -0.0003384100000000 ] - [ 0.0009649600000000, -0.0009932600000000, 0.0002249900000000 ] - [ 0.0004255700000000, 0.0016749100000000, -0.0001500800000000 ] - [ -0.0013621600000000, 0.0030185200000000, -0.0010649400000000 ] - [ -0.0001353000000000, -0.0012703100000000, 0.0005005100000000 ] - [ 0.0006126400000000, -0.0005786600000000, 0.0005371000000000 ]- atom: 7 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017768000000000, 0.0011227300000000, 0.0003030800000000 ] - [ -0.0078072400000000, -0.0027594500000000, 0.0026433700000000 ] - [ -0.0005276000000000, -0.0050390400000000, -0.0002560000000000 ] - [ -0.0000018000000000, -0.0007586100000000, -0.0001289100000000 ] - [ 0.0017459600000000, 0.0011930500000000, 0.0003640100000000 ] - [ -0.0037732100000000, -0.0020585000000000, -0.0045636700000000 ] - [ 0.0108136000000000, 0.0946478300000000, 0.0108912100000000 ] - [ -0.0003281900000000, 0.0024582700000000, 0.0003345900000000 ] - [ -0.0006560400000000, -0.0022462100000000, 0.0002967500000000 ] - [ -0.0003132300000000, -0.0028510900000000, 0.0003972100000000 ] - [ 0.0015218700000000, 0.0157346200000000, -0.0012427500000000 ] - [ 0.0001971600000000, 0.0022449800000000, -0.0004511400000000 ] - [ -0.0002577100000000, -0.0060299700000000, 0.0000331300000000 ] - [ 0.0000441400000000, -0.0001680400000000, 0.0001014800000000 ] - [ 0.0002590200000000, -0.0016602800000000, -0.0002942300000000 ] - [ 0.0003823200000000, -0.0027832700000000, -0.0002750900000000 ] - [ -0.0016551700000000, 0.0012734300000000, -0.0002611900000000 ] - [ 0.0051534900000000, -0.0030942600000000, 0.0058747000000000 ] - [ -0.0030687600000000, 0.0016480000000000, -0.0010611600000000 ] - [ 0.0071569400000000, -0.0013300400000000, -0.0020860200000000 ] - [ 0.0002118700000000, -0.0035181900000000, 0.0001991800000000 ] - [ 0.0001087200000000, -0.0007306800000000, 0.0002136900000000 ] - [ 0.0001961000000000, -0.0031706600000000, 0.0002676300000000 ] - [ -0.0000319500000000, -0.0006557000000000, 0.0001734900000000 ] - [ -0.0005488100000000, 0.0049482300000000, 0.0000429900000000 ] - [ -0.0007054200000000, 0.0045543700000000, -0.0002217400000000 ] - [ 0.0040445200000000, -0.0062678000000000, 0.0056693600000000 ] - [ -0.0004385400000000, -0.0001477100000000, -0.0000499600000000 ] - [ -0.0000832100000000, 0.0045372800000000, -0.0000706400000000 ] - [ -0.0040174200000000, 0.0089637700000000, -0.0004992300000000 ] - [ 0.0003586200000000, -0.0035507000000000, -0.0000763400000000 ] - [ 0.0003724000000000, -0.0021389000000000, -0.0001120700000000 ] - [ -0.0036999000000000, -0.0063065500000000, -0.0137037100000000 ] - [ 0.0012917000000000, 0.0004670900000000, 0.0005395500000000 ] - [ 0.0002224600000000, -0.0019331200000000, 0.0007168500000000 ] - [ -0.0019134900000000, -0.0022746200000000, 0.0002608300000000 ] - [ -0.0018035100000000, -0.0023134600000000, -0.0008001000000000 ] - [ 0.0005547200000000, -0.0019049800000000, 0.0002985600000000 ] - [ 0.0060212200000000, -0.0071402900000000, -0.0032614900000000 ] - [ -0.0010366800000000, -0.0002682600000000, -0.0004922800000000 ] - [ -0.0098112600000000, -0.0055174800000000, 0.0090070800000000 ] - [ 0.0018199300000000, 0.0010170200000000, -0.0002721700000000 ] - [ 0.0001139800000000, -0.0028859700000000, 0.0000470500000000 ] - [ 0.0001063900000000, -0.0013955000000000, 0.0000697900000000 ] - [ -0.0016572800000000, -0.0022736100000000, -0.0000507300000000 ] - [ 0.0012589100000000, -0.0023378700000000, 0.0003613700000000 ] - [ 0.0002891900000000, -0.0025312100000000, -0.0000254900000000 ] - [ -0.0015294000000000, -0.0026960500000000, -0.0006336100000000 ] - [ -0.0000653500000000, 0.0026774400000000, -0.0008014200000000 ] - [ -0.0006216200000000, 0.0002170100000000, -0.0001036200000000 ] - [ 0.0007859700000000, -0.0079947400000000, 0.0014707800000000 ] - [ -0.0001055100000000, -0.0012571400000000, 0.0001553300000000 ] - [ -0.0004612400000000, -0.0009718900000000, -0.0001619400000000 ] - [ -0.0047734900000000, -0.0116187500000000, -0.0023370500000000 ] - [ -0.0000139600000000, 0.0023654500000000, -0.0015611800000000 ] - [ 0.0000003700000000, -0.0005511400000000, 0.0003710000000000 ] - [ 0.0001319900000000, 0.0008214600000000, -0.0001246000000000 ] - [ -0.0003525000000000, 0.0012864200000000, -0.0002278900000000 ] - [ 0.0002303500000000, -0.0022724800000000, -0.0005967500000000 ] - [ 0.0013330600000000, -0.0025250100000000, 0.0002271100000000 ] - [ -0.0015524000000000, -0.0114591600000000, -0.0004996600000000 ] - [ -0.0003122200000000, -0.0009647500000000, -0.0000177300000000 ] - [ -0.0017029200000000, 0.0049642700000000, -0.0003588200000000 ] - [ 0.0003972200000000, 0.0002721000000000, 0.0002070000000000 ] - [ 0.0001773100000000, -0.0017409400000000, -0.0000418900000000 ] - [ -0.0020470300000000, -0.0031897300000000, -0.0011124500000000 ] - [ 0.0012752600000000, 0.0003323500000000, 0.0003822600000000 ] - [ -0.0001644800000000, 0.0012206300000000, -0.0002054600000000 ] - [ 0.0001867200000000, 0.0011409900000000, -0.0001158400000000 ] - [ 0.0003322800000000, 0.0009460200000000, -0.0000603200000000 ] - [ -0.0004132600000000, 0.0009810200000000, 0.0002573500000000 ] - [ -0.0000054600000000, 0.0016083300000000, 0.0003943400000000 ] - [ -0.0009237200000000, 0.0018421500000000, 0.0002967100000000 ] - [ 0.0006313300000000, 0.0007341400000000, 0.0003332900000000 ] - [ -0.0035691300000000, -0.0005909100000000, -0.0005506900000000 ] - [ 0.0024503500000000, 0.0001966400000000, 0.0001209400000000 ] - [ -0.0005298100000000, 0.0014140300000000, -0.0008671600000000 ] - [ 0.0008456600000000, 0.0003252300000000, -0.0001360600000000 ] - [ -0.0003650500000000, 0.0005309200000000, -0.0001186700000000 ] - [ 0.0003709700000000, 0.0010379100000000, 0.0001872600000000 ] - [ -0.0002206300000000, -0.0089992900000000, 0.0012831800000000 ] - [ -0.0001120500000000, -0.0009259700000000, 0.0000310500000000 ] - [ 0.0006353200000000, -0.0012630300000000, 0.0005635500000000 ] - [ -0.0011498300000000, -0.0010084600000000, 0.0000610800000000 ] - [ 0.0026331200000000, -0.0075402300000000, -0.0009821600000000 ] - [ -0.0004179800000000, -0.0014623400000000, -0.0000678800000000 ] - [ 0.0001689900000000, 0.0013346800000000, 0.0000769700000000 ] - [ 0.0004057000000000, 0.0000998600000000, 0.0003253700000000 ] - [ 0.0005646400000000, -0.0006074600000000, -0.0000474600000000 ] - [ -0.0018772600000000, -0.0068475600000000, -0.0006618700000000 ] - [ 0.0006508600000000, 0.0004431200000000, -0.0001432800000000 ] - [ -0.0017275900000000, 0.0022065900000000, -0.0005950600000000 ] - [ -0.0021937000000000, 0.0007516800000000, -0.0001520500000000 ] - [ -0.0001028700000000, -0.0001325500000000, 0.0003161000000000 ] - [ -0.0003935900000000, 0.0020727000000000, -0.0003247300000000 ] - [ -0.0001849700000000, 0.0008614100000000, -0.0000424300000000 ] - [ 0.0013193800000000, 0.0012973500000000, 0.0000954900000000 ] - [ 0.0001926900000000, 0.0011528000000000, -0.0000613200000000 ] - [ -0.0000991700000000, 0.0012770300000000, 0.0006961400000000 ] - [ -0.0003004800000000, 0.0005657100000000, 0.0006406900000000 ] - [ 0.0000669600000000, 0.0012757900000000, 0.0000640200000000 ] - [ 0.0002614000000000, 0.0010582900000000, 0.0001054500000000 ] - [ -0.0000173000000000, 0.0025004300000000, 0.0003276600000000 ] - [ 0.0001144600000000, 0.0012868300000000, 0.0001913500000000 ] - [ 0.0003665200000000, -0.0073777900000000, 0.0001212100000000 ] - [ 0.0008019000000000, -0.0007368400000000, -0.0000868800000000 ] - [ 0.0001948100000000, 0.0014538900000000, -0.0004503600000000 ] - [ -0.0004366500000000, 0.0007315400000000, -0.0007864300000000 ] - [ 0.0053027900000000, -0.0190877000000000, -0.0120081400000000 ] - [ 0.0005501700000000, -0.0011554400000000, 0.0001464800000000 ] - [ -0.0007364500000000, 0.0035905300000000, 0.0018705700000000 ] - [ 0.0000338400000000, 0.0006202600000000, 0.0002260800000000 ] - [ 0.0001761900000000, 0.0008230500000000, -0.0004368400000000 ] - [ 0.0009928800000000, 0.0006783600000000, -0.0002706000000000 ] - [ -0.0018247000000000, -0.0124833100000000, 0.0050248800000000 ] - [ 0.0002287800000000, -0.0009942800000000, -0.0000431100000000 ] - [ -0.0004285600000000, -0.0027776100000000, 0.0002062400000000 ] - [ 0.0008561100000000, -0.0044429200000000, -0.0002194500000000 ] - [ 0.0004714400000000, 0.0011386000000000, -0.0001921400000000 ] - [ 0.0004013200000000, 0.0002362200000000, -0.0002024100000000 ] - [ -0.0005480000000000, -0.0002095800000000, -0.0004997400000000 ] - [ 0.0010920200000000, 0.0013568500000000, -0.0000199800000000 ] - [ -0.0003401700000000, 0.0023699700000000, 0.0004044200000000 ] - [ 0.0000043100000000, 0.0012355400000000, 0.0002940700000000 ] - [ 0.0026184300000000, 0.0013491200000000, -0.0002949700000000 ] - [ -0.0014802700000000, 0.0003786900000000, -0.0005895000000000 ] - [ 0.0003052100000000, 0.0028089700000000, 0.0012390000000000 ] - [ -0.0000052700000000, 0.0003208200000000, 0.0002381900000000 ] - [ -0.0005324300000000, 0.0009169800000000, -0.0003652800000000 ] - [ 0.0007550100000000, 0.0020178600000000, -0.0001862700000000 ] - [ 0.0000509500000000, 0.0007239700000000, 0.0002503900000000 ] - [ -0.0005450000000000, 0.0011730600000000, 0.0000575400000000 ] - [ 0.0003720500000000, 0.0007650900000000, -0.0000555400000000 ] - [ 0.0009608700000000, 0.0016055600000000, 0.0000297500000000 ] - [ 0.0020469000000000, 0.0013720300000000, 0.0019025600000000 ] - [ -0.0014242500000000, -0.0001057900000000, 0.0001926200000000 ] - [ -0.0025483600000000, -0.0010507800000000, -0.0009605200000000 ] - [ 0.0012574900000000, -0.0006669700000000, 0.0008429900000000 ] - [ 0.0006976700000000, 0.0006907600000000, 0.0000014700000000 ] - [ -0.0007615500000000, 0.0012867200000000, -0.0005645700000000 ] - [ -0.0004700700000000, -0.0004467600000000, -0.0004104200000000 ] - [ 0.0013246300000000, -0.0017839300000000, 0.0005056500000000 ] - [ 0.0006150000000000, 0.0015605100000000, 0.0004023500000000 ] - [ -0.0001375700000000, 0.0008669500000000, 0.0003653800000000 ]- atom: 7 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0000010400000000, 0.0002884000000000, -0.0013304500000000 ] - [ -0.0046730400000000, -0.0034462900000000, -0.0008896400000000 ] - [ 0.0004377500000000, 0.0004792700000000, -0.0011549100000000 ] - [ 0.0000121000000000, 0.0003964200000000, -0.0001567800000000 ] - [ -0.0003467500000000, 0.0007359000000000, 0.0010392300000000 ] - [ 0.0023883200000000, 0.0027210400000000, 0.0011262500000000 ] - [ 0.0224751200000000, -0.0074435100000000, -0.0894321000000000 ] - [ -0.0006688500000000, 0.0002745500000000, 0.0001942600000000 ] - [ -0.0005106000000000, 0.0000492300000000, 0.0002889700000000 ] - [ -0.0005452200000000, 0.0000473800000000, 0.0003430200000000 ] - [ -0.0076369100000000, -0.0005974100000000, 0.0294052800000000 ] - [ 0.0008821700000000, -0.0000574700000000, -0.0002542700000000 ] - [ 0.0002334600000000, 0.0009077600000000, -0.0010543500000000 ] - [ -0.0001066900000000, 0.0007601700000000, 0.0000460200000000 ] - [ 0.0001798300000000, 0.0003323500000000, -0.0002940500000000 ] - [ 0.0002318800000000, 0.0003182500000000, -0.0003349400000000 ] - [ -0.0003736600000000, 0.0003886100000000, 0.0010471500000000 ] - [ 0.0047226500000000, -0.0049938300000000, 0.0017773600000000 ] - [ 0.0001992000000000, 0.0004945000000000, -0.0016339000000000 ] - [ -0.0056181200000000, 0.0049357800000000, -0.0011825400000000 ] - [ -0.0000670500000000, 0.0003753300000000, 0.0012260500000000 ] - [ 0.0002768100000000, 0.0003703800000000, 0.0002807400000000 ] - [ -0.0000119400000000, 0.0005530400000000, 0.0012567500000000 ] - [ 0.0002223000000000, 0.0005168900000000, 0.0002713300000000 ] - [ 0.0050930500000000, -0.0016080500000000, 0.0024289600000000 ] - [ -0.0005980000000000, -0.0000005700000000, 0.0025913200000000 ] - [ 0.0036099100000000, -0.0069355500000000, 0.0021496600000000 ] - [ 0.0003750800000000, -0.0004027100000000, 0.0002570700000000 ] - [ -0.0058987300000000, 0.0006856500000000, -0.0004092000000000 ] - [ 0.0009464700000000, -0.0009517500000000, -0.0032591000000000 ] - [ 0.0003916800000000, -0.0006999300000000, -0.0001348400000000 ] - [ 0.0003917400000000, -0.0006813700000000, -0.0001390000000000 ] - [ 0.0057434900000000, 0.0118978200000000, 0.0056462600000000 ] - [ 0.0006023300000000, -0.0006937500000000, 0.0004783300000000 ] - [ -0.0010303400000000, 0.0001882900000000, 0.0004616600000000 ] - [ -0.0008314200000000, -0.0000940300000000, 0.0004010600000000 ] - [ -0.0002423500000000, 0.0000778100000000, -0.0000078700000000 ] - [ -0.0005649000000000, -0.0002854900000000, 0.0002017200000000 ] - [ -0.0032293900000000, 0.0073241500000000, 0.0002172500000000 ] - [ 0.0002881500000000, -0.0003598000000000, -0.0001772200000000 ] - [ -0.0058291800000000, -0.0120020700000000, 0.0006277300000000 ] - [ 0.0008471500000000, -0.0000784500000000, -0.0006807600000000 ] - [ 0.0001551400000000, 0.0001235100000000, 0.0000956000000000 ] - [ 0.0001487500000000, 0.0000530700000000, 0.0001049600000000 ] - [ -0.0005392100000000, -0.0007308200000000, 0.0000591700000000 ] - [ -0.0001921400000000, -0.0002925000000000, -0.0002898000000000 ] - [ -0.0005959900000000, -0.0008381000000000, -0.0003634100000000 ] - [ -0.0007540300000000, -0.0007273700000000, -0.0002374300000000 ] - [ -0.0003802600000000, 0.0021344100000000, -0.0002035400000000 ] - [ -0.0005464400000000, 0.0000298500000000, -0.0000601100000000 ] - [ -0.0012296600000000, 0.0002851700000000, 0.0037770100000000 ] - [ 0.0000348600000000, -0.0000674100000000, -0.0001082600000000 ] - [ 0.0006100800000000, 0.0001405100000000, 0.0000596200000000 ] - [ -0.0003224600000000, 0.0011290000000000, 0.0056106500000000 ] - [ 0.0001794200000000, 0.0015894600000000, 0.0005966500000000 ] - [ -0.0000070400000000, -0.0006249600000000, 0.0003702300000000 ] - [ -0.0001743400000000, -0.0002047600000000, -0.0001150400000000 ] - [ -0.0002091200000000, -0.0002199900000000, -0.0000533600000000 ] - [ 0.0011189600000000, -0.0000646600000000, -0.0034472900000000 ] - [ -0.0005397500000000, -0.0002403800000000, -0.0009996500000000 ] - [ -0.0022722300000000, -0.0010017300000000, 0.0075277700000000 ] - [ 0.0000368100000000, -0.0003337600000000, 0.0000325100000000 ] - [ -0.0008455000000000, -0.0000024400000000, 0.0029439000000000 ] - [ -0.0000335800000000, 0.0001795500000000, 0.0002027200000000 ] - [ -0.0016779800000000, -0.0012477300000000, -0.0009607100000000 ] - [ -0.0000684000000000, -0.0005984200000000, -0.0031276800000000 ] - [ 0.0004136400000000, -0.0000490000000000, 0.0000329100000000 ] - [ 0.0008289200000000, -0.0000419500000000, -0.0009055500000000 ] - [ 0.0001453500000000, -0.0000229600000000, -0.0001381100000000 ] - [ 0.0001689000000000, -0.0000213400000000, -0.0001516500000000 ] - [ -0.0004005300000000, 0.0001858100000000, 0.0002343100000000 ] - [ -0.0003867800000000, 0.0001845700000000, 0.0001735100000000 ] - [ 0.0003403400000000, -0.0003142900000000, 0.0000674300000000 ] - [ 0.0001195600000000, 0.0002082000000000, 0.0001676300000000 ] - [ 0.0020089200000000, -0.0011610800000000, 0.0000950900000000 ] - [ -0.0005437600000000, 0.0001154600000000, 0.0000939200000000 ] - [ 0.0002265300000000, 0.0002590000000000, -0.0004375600000000 ] - [ 0.0003619100000000, -0.0001004400000000, -0.0002851200000000 ] - [ 0.0001038900000000, -0.0003716000000000, -0.0001127700000000 ] - [ 0.0000004900000000, -0.0004406900000000, -0.0000232100000000 ] - [ -0.0012164500000000, -0.0018268700000000, 0.0082028800000000 ] - [ -0.0003710600000000, -0.0000573900000000, -0.0000986700000000 ] - [ 0.0007042500000000, -0.0002996400000000, -0.0047066500000000 ] - [ -0.0008278000000000, -0.0002836600000000, 0.0002435400000000 ] - [ 0.0024002700000000, 0.0008834900000000, 0.0027243100000000 ] - [ -0.0000081200000000, 0.0000305700000000, 0.0002870400000000 ] - [ 0.0004143900000000, -0.0005826800000000, 0.0003799200000000 ] - [ 0.0004325600000000, -0.0006429500000000, 0.0003683300000000 ] - [ 0.0010023900000000, 0.0008718300000000, 0.0000266900000000 ] - [ -0.0015309800000000, 0.0007199200000000, 0.0055113600000000 ] - [ 0.0000633600000000, 0.0001990900000000, -0.0002358600000000 ] - [ -0.0002745000000000, 0.0000899100000000, 0.0006708600000000 ] - [ 0.0003458200000000, 0.0000087000000000, -0.0038627700000000 ] - [ -0.0007404900000000, 0.0001451700000000, 0.0000206700000000 ] - [ -0.0001130700000000, 0.0002399200000000, 0.0000274700000000 ] - [ -0.0001108000000000, 0.0001736000000000, 0.0000044800000000 ] - [ 0.0005874200000000, 0.0001435100000000, 0.0001571500000000 ] - [ 0.0007101100000000, 0.0000319400000000, -0.0000452200000000 ] - [ -0.0003365200000000, -0.0001521100000000, 0.0007105200000000 ] - [ -0.0003015900000000, -0.0001386600000000, 0.0006431000000000 ] - [ 0.0000562900000000, 0.0000218200000000, 0.0000538200000000 ] - [ 0.0000218000000000, 0.0000686000000000, 0.0000716800000000 ] - [ 0.0001069100000000, 0.0004639300000000, 0.0001626700000000 ] - [ 0.0001125100000000, 0.0005353300000000, 0.0001524300000000 ] - [ -0.0011952600000000, 0.0006498500000000, 0.0039806000000000 ] - [ 0.0003633500000000, 0.0001859400000000, -0.0001391200000000 ] - [ -0.0001360800000000, -0.0001909300000000, -0.0007067300000000 ] - [ -0.0001053500000000, 0.0000212300000000, -0.0007221300000000 ] - [ -0.0069935800000000, 0.0145369600000000, 0.0174612400000000 ] - [ 0.0002322500000000, -0.0002017500000000, 0.0001134100000000 ] - [ -0.0002040700000000, -0.0016469000000000, 0.0001278400000000 ] - [ 0.0000319500000000, 0.0005324600000000, 0.0002194000000000 ] - [ 0.0006838700000000, -0.0003260400000000, -0.0001634600000000 ] - [ 0.0007194900000000, -0.0002592100000000, -0.0002706500000000 ] - [ -0.0021808600000000, -0.0055582800000000, 0.0086108400000000 ] - [ 0.0002324100000000, -0.0001880900000000, -0.0000764700000000 ] - [ -0.0009521000000000, -0.0004913400000000, 0.0023153200000000 ] - [ 0.0020930200000000, 0.0000058900000000, 0.0004903900000000 ] - [ 0.0003690900000000, -0.0005419700000000, -0.0002873600000000 ] - [ 0.0003478800000000, -0.0005314000000000, -0.0002212100000000 ] - [ 0.0002269300000000, -0.0007726000000000, -0.0003219500000000 ] - [ -0.0001590200000000, -0.0005826700000000, 0.0002225100000000 ] - [ 0.0000356500000000, 0.0005210800000000, 0.0002810800000000 ] - [ 0.0000218500000000, 0.0005987400000000, 0.0002879900000000 ] - [ 0.0004204800000000, 0.0013123800000000, 0.0002410600000000 ] - [ -0.0000651400000000, 0.0001071000000000, 0.0003960400000000 ] - [ -0.0003270300000000, -0.0018610100000000, -0.0000708200000000 ] - [ 0.0001048900000000, 0.0001506300000000, 0.0002431800000000 ] - [ -0.0001715700000000, 0.0006739000000000, -0.0002558500000000 ] - [ 0.0001619200000000, 0.0006567300000000, -0.0008639400000000 ] - [ -0.0002232500000000, -0.0002489100000000, 0.0001051000000000 ] - [ -0.0001682200000000, -0.0002075800000000, 0.0000498500000000 ] - [ 0.0004063200000000, -0.0001100000000000, -0.0000026900000000 ] - [ 0.0003585600000000, -0.0000761600000000, 0.0000418500000000 ] - [ -0.0010437000000000, -0.0011392500000000, 0.0003015700000000 ] - [ -0.0000135900000000, -0.0002280500000000, -0.0000953700000000 ] - [ -0.0017474300000000, 0.0014328200000000, 0.0000050000000000 ] - [ 0.0003142600000000, 0.0001060000000000, 0.0001189900000000 ] - [ 0.0001676100000000, 0.0001442400000000, -0.0004242300000000 ] - [ -0.0002265400000000, 0.0007313500000000, -0.0002864400000000 ] - [ -0.0004263100000000, 0.0007334300000000, -0.0004442700000000 ] - [ 0.0003818300000000, 0.0002631800000000, -0.0041283500000000 ] - [ 0.0002781700000000, 0.0003326000000000, 0.0004466200000000 ] - [ 0.0002108700000000, 0.0001361300000000, 0.0004885500000000 ]- atom: 7 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0004095800000000, 0.0003511600000000, 0.0008169400000000 ] - [ 0.0042731600000000, 0.0040955200000000, 0.0004229900000000 ] - [ -0.0002233800000000, 0.0002683400000000, 0.0008923000000000 ] - [ 0.0001972500000000, 0.0003522100000000, -0.0001071700000000 ] - [ 0.0004013500000000, 0.0007243300000000, -0.0011844100000000 ] - [ -0.0023086200000000, -0.0012714900000000, -0.0013031800000000 ] - [ -0.0222680500000000, 0.0076014700000000, 0.0899591400000000 ] - [ 0.0002547700000000, 0.0003142300000000, 0.0004998100000000 ] - [ -0.0005383300000000, -0.0000430800000000, 0.0004131700000000 ] - [ -0.0005034300000000, -0.0000420300000000, 0.0003600400000000 ] - [ 0.0086297100000000, 0.0006417400000000, -0.0301142000000000 ] - [ 0.0001622400000000, 0.0000618000000000, -0.0004515300000000 ] - [ -0.0002969900000000, 0.0005644000000000, 0.0011981400000000 ] - [ 0.0000430800000000, 0.0006955400000000, 0.0000974700000000 ] - [ 0.0002285900000000, 0.0002586200000000, -0.0003997800000000 ] - [ 0.0001784500000000, 0.0002722900000000, -0.0003591400000000 ] - [ 0.0001575700000000, 0.0003566600000000, -0.0007856000000000 ] - [ -0.0049011300000000, 0.0057304200000000, -0.0015532200000000 ] - [ -0.0005724300000000, 0.0005274100000000, 0.0011196700000000 ] - [ 0.0052550400000000, -0.0039264100000000, 0.0007147100000000 ] - [ 0.0004758800000000, 0.0002609900000000, -0.0007133400000000 ] - [ 0.0001305000000000, 0.0002698800000000, 0.0002316800000000 ] - [ 0.0003913800000000, 0.0004760800000000, -0.0007398400000000 ] - [ 0.0001523800000000, 0.0005065500000000, 0.0002442100000000 ] - [ -0.0054169500000000, 0.0016818800000000, -0.0026079900000000 ] - [ 0.0003234900000000, 0.0000753900000000, -0.0027716200000000 ] - [ -0.0026442400000000, 0.0062530400000000, -0.0017945700000000 ] - [ 0.0006042600000000, -0.0003058500000000, 0.0000852900000000 ] - [ 0.0051180400000000, -0.0020826300000000, 0.0006494100000000 ] - [ -0.0017937000000000, -0.0004529800000000, 0.0035068300000000 ] - [ 0.0003831300000000, -0.0006920000000000, -0.0001256800000000 ] - [ 0.0003818200000000, -0.0007112500000000, -0.0001214300000000 ] - [ -0.0043976700000000, -0.0133611800000000, -0.0048892100000000 ] - [ 0.0008047400000000, -0.0006792300000000, 0.0002388500000000 ] - [ -0.0006953700000000, -0.0003430200000000, 0.0005901900000000 ] - [ -0.0008938700000000, -0.0000655200000000, 0.0006514100000000 ] - [ -0.0007349600000000, -0.0007882600000000, -0.0003291800000000 ] - [ -0.0004112000000000, -0.0004257000000000, -0.0005413400000000 ] - [ 0.0038132400000000, -0.0079733900000000, -0.0003726800000000 ] - [ 0.0002970700000000, -0.0003272900000000, 0.0000357900000000 ] - [ 0.0075270600000000, 0.0117598300000000, -0.0017535500000000 ] - [ 0.0008725200000000, -0.0000835800000000, -0.0003805900000000 ] - [ 0.0001441100000000, -0.0000444100000000, 0.0000951500000000 ] - [ 0.0001498400000000, 0.0000249500000000, 0.0000861300000000 ] - [ -0.0000555900000000, 0.0000422900000000, 0.0000882800000000 ] - [ -0.0004056900000000, -0.0003923300000000, 0.0004381800000000 ] - [ -0.0008122800000000, -0.0005309400000000, -0.0003636600000000 ] - [ -0.0006494100000000, -0.0006420600000000, -0.0004905200000000 ] - [ -0.0007405300000000, -0.0020749000000000, 0.0000360900000000 ] - [ -0.0005705500000000, 0.0000340600000000, -0.0001039500000000 ] - [ 0.0007197100000000, -0.0003759100000000, -0.0038279900000000 ] - [ -0.0003731100000000, 0.0000368700000000, 0.0003648800000000 ] - [ -0.0003766900000000, 0.0002333400000000, -0.0000771100000000 ] - [ 0.0005353700000000, -0.0007400400000000, -0.0056451600000000 ] - [ -0.0002099000000000, -0.0028055000000000, 0.0001639900000000 ] - [ -0.0000201600000000, -0.0005990700000000, 0.0003786800000000 ] - [ -0.0002190400000000, -0.0002314600000000, -0.0001340100000000 ] - [ -0.0001845800000000, -0.0002174400000000, -0.0001964600000000 ] - [ -0.0004810300000000, -0.0001905700000000, 0.0021732400000000 ] - [ 0.0011621100000000, -0.0000145100000000, -0.0002605600000000 ] - [ 0.0021304100000000, 0.0002964900000000, -0.0075333400000000 ] - [ -0.0001614900000000, -0.0003628500000000, -0.0000316300000000 ] - [ 0.0006402700000000, 0.0002992600000000, -0.0026049300000000 ] - [ -0.0001681500000000, 0.0001138800000000, 0.0001345700000000 ] - [ 0.0008236800000000, -0.0000154900000000, 0.0002377100000000 ] - [ -0.0008031200000000, -0.0006580000000000, 0.0024030500000000 ] - [ 0.0007042200000000, 0.0001137600000000, 0.0001307900000000 ] - [ 0.0002867800000000, 0.0001078700000000, 0.0010702200000000 ] - [ 0.0001909000000000, -0.0000079100000000, -0.0001188900000000 ] - [ 0.0001670200000000, -0.0000087500000000, -0.0001052800000000 ] - [ -0.0003854100000000, 0.0001666300000000, 0.0002358900000000 ] - [ -0.0004009900000000, 0.0001678900000000, 0.0002963900000000 ] - [ -0.0000759200000000, 0.0007319500000000, 0.0002048400000000 ] - [ 0.0001463900000000, 0.0002141000000000, 0.0001028800000000 ] - [ -0.0024812900000000, 0.0014460800000000, -0.0009874600000000 ] - [ 0.0000804500000000, 0.0001814100000000, -0.0009950600000000 ] - [ 0.0004713400000000, -0.0004745800000000, -0.0000400600000000 ] - [ 0.0003345500000000, -0.0001117200000000, -0.0001908400000000 ] - [ 0.0000234000000000, -0.0003260800000000, 0.0001109800000000 ] - [ 0.0001248500000000, -0.0002548500000000, 0.0000218100000000 ] - [ 0.0003716100000000, 0.0013030700000000, -0.0074601000000000 ] - [ -0.0003955400000000, -0.0000807300000000, 0.0001228400000000 ] - [ -0.0020891900000000, -0.0002717100000000, 0.0052767900000000 ] - [ -0.0005704200000000, -0.0003080500000000, 0.0003237600000000 ] - [ -0.0026337100000000, -0.0007614100000000, -0.0027124500000000 ] - [ -0.0000487300000000, 0.0001250800000000, -0.0003945200000000 ] - [ 0.0004433200000000, -0.0006837600000000, 0.0003410700000000 ] - [ 0.0004256100000000, -0.0006226800000000, 0.0003535300000000 ] - [ -0.0012149300000000, 0.0002218600000000, -0.0003400100000000 ] - [ 0.0013539300000000, 0.0003398400000000, -0.0058117900000000 ] - [ -0.0002267500000000, 0.0001080500000000, -0.0002885400000000 ] - [ 0.0001145600000000, 0.0002104000000000, -0.0011956800000000 ] - [ -0.0016724600000000, 0.0003229700000000, 0.0039788800000000 ] - [ -0.0005869900000000, 0.0002013900000000, 0.0000955300000000 ] - [ -0.0001180500000000, 0.0001329800000000, -0.0000066600000000 ] - [ -0.0001193700000000, 0.0001998800000000, 0.0000150900000000 ] - [ 0.0007403400000000, 0.0002018700000000, -0.0002714300000000 ] - [ 0.0006185500000000, 0.0003135600000000, -0.0000697200000000 ] - [ -0.0002882200000000, -0.0001040800000000, 0.0005677300000000 ] - [ -0.0003221900000000, -0.0001159200000000, 0.0006350800000000 ] - [ 0.0000122800000000, 0.0001319200000000, 0.0000542500000000 ] - [ 0.0000466100000000, 0.0000859800000000, 0.0000361900000000 ] - [ 0.0001054400000000, 0.0006271900000000, 0.0001528100000000 ] - [ 0.0001011300000000, 0.0005567700000000, 0.0001628700000000 ] - [ 0.0022365400000000, -0.0006086200000000, -0.0049846900000000 ] - [ 0.0004247200000000, 0.0001669400000000, -0.0003313100000000 ] - [ -0.0000642700000000, 0.0002533700000000, -0.0006421800000000 ] - [ -0.0000955500000000, 0.0000420700000000, -0.0006259500000000 ] - [ 0.0069811900000000, -0.0141514600000000, -0.0164483500000000 ] - [ 0.0001644600000000, -0.0002338800000000, 0.0001361500000000 ] - [ 0.0002468400000000, 0.0027518000000000, 0.0002845000000000 ] - [ 0.0000060800000000, 0.0005634600000000, 0.0002039000000000 ] - [ 0.0007156100000000, -0.0002659600000000, -0.0004005900000000 ] - [ 0.0006795700000000, -0.0003312800000000, -0.0002942700000000 ] - [ 0.0026970200000000, 0.0056715000000000, -0.0093785900000000 ] - [ 0.0001655200000000, -0.0002148300000000, -0.0001525400000000 ] - [ 0.0002400400000000, -0.0005466600000000, -0.0018802900000000 ] - [ -0.0028095000000000, -0.0010460900000000, -0.0000829900000000 ] - [ 0.0003400200000000, -0.0004965700000000, -0.0001494600000000 ] - [ 0.0003615900000000, -0.0005069000000000, -0.0002155500000000 ] - [ -0.0001958800000000, -0.0004528000000000, -0.0004260100000000 ] - [ 0.0001893900000000, -0.0006348800000000, -0.0009730000000000 ] - [ 0.0000078200000000, 0.0007006800000000, 0.0002785200000000 ] - [ 0.0000216400000000, 0.0006236500000000, 0.0002729800000000 ] - [ -0.0006879100000000, -0.0008908300000000, -0.0005048100000000 ] - [ -0.0001929600000000, 0.0003084600000000, -0.0006684100000000 ] - [ 0.0004835300000000, 0.0021625900000000, 0.0005981700000000 ] - [ 0.0000598900000000, 0.0001555900000000, 0.0002825000000000 ] - [ 0.0001351300000000, 0.0004208900000000, -0.0001669000000000 ] - [ -0.0002025600000000, 0.0004395700000000, 0.0004419800000000 ] - [ -0.0001739900000000, -0.0001544700000000, 0.0001240900000000 ] - [ -0.0002299500000000, -0.0001954000000000, 0.0001791900000000 ] - [ 0.0003648300000000, -0.0000285700000000, -0.0000195900000000 ] - [ 0.0004112400000000, -0.0000615100000000, -0.0000646500000000 ] - [ 0.0003454300000000, 0.0009275600000000, 0.0001639200000000 ] - [ -0.0006849100000000, 0.0000174900000000, 0.0005707700000000 ] - [ 0.0019579100000000, -0.0013737500000000, 0.0013385700000000 ] - [ -0.0001176200000000, -0.0000448400000000, 0.0012291100000000 ] - [ 0.0000365000000000, 0.0001496100000000, 0.0000859300000000 ] - [ 0.0004288500000000, -0.0004373400000000, -0.0000496200000000 ] - [ 0.0003866300000000, 0.0004891300000000, -0.0001172700000000 ] - [ -0.0004548100000000, 0.0009369700000000, 0.0035572100000000 ] - [ 0.0001998900000000, -0.0000458100000000, 0.0004555900000000 ] - [ 0.0002679400000000, 0.0001502600000000, 0.0004128100000000 ]- atom: 9 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0017655000000000, 0.0005560700000000, -0.0004184200000000 ] - [ 0.0009089200000000, 0.0000006300000000, -0.0000205000000000 ] - [ 0.0025328700000000, -0.0023702900000000, 0.0009433000000000 ] - [ 0.0022321400000000, 0.0060373900000000, -0.0020334000000000 ] - [ -0.0013354000000000, 0.0008447000000000, -0.0007433900000000 ] - [ 0.0011991400000000, 0.0005791600000000, 0.0003239200000000 ] - [ 0.0000739200000000, 0.0004254800000000, 0.0004351200000000 ] - [ -0.0004468900000000, 0.0000867800000000, 0.0002605800000000 ] - [ -0.0444112900000000, 0.0000782100000000, 0.0131809500000000 ] - [ 0.0035026900000000, -0.0000949700000000, 0.0010558600000000 ] - [ 0.0006265100000000, -0.0000250100000000, -0.0003352500000000 ] - [ 0.0004592600000000, -0.0000459500000000, -0.0003506500000000 ] - [ 0.0034352600000000, 0.0056272400000000, 0.0013436900000000 ] - [ 0.0033781500000000, -0.0048778100000000, -0.0028273900000000 ] - [ -0.0064837000000000, 0.0013022900000000, -0.0105441800000000 ] - [ 0.0038198800000000, -0.0000335200000000, 0.0009862300000000 ] - [ -0.0016362700000000, -0.0000900700000000, -0.0005910900000000 ] - [ 0.0012108000000000, 0.0006083000000000, 0.0005705400000000 ] - [ -0.0023644100000000, 0.0006165600000000, -0.0005488100000000 ] - [ 0.0012183700000000, 0.0006230900000000, 0.0000259200000000 ] - [ 0.0026703700000000, 0.0022567300000000, 0.0004896900000000 ] - [ -0.0008636600000000, -0.0049149400000000, 0.0049880900000000 ] - [ 0.0019825800000000, -0.0014333500000000, 0.0002150100000000 ] - [ 0.0000843400000000, 0.0042497000000000, 0.0025376800000000 ] - [ -0.0008222000000000, -0.0000309600000000, -0.0002587800000000 ] - [ 0.0004915000000000, 0.0000480400000000, 0.0000577300000000 ] - [ 0.0004821100000000, -0.0016216100000000, 0.0000633100000000 ] - [ 0.0009917900000000, 0.0006927900000000, 0.0004233700000000 ] - [ -0.0010802000000000, -0.0007557000000000, -0.0000647200000000 ] - [ 0.0002587500000000, -0.0006868600000000, 0.0003187600000000 ] - [ 0.0034071600000000, -0.0005452200000000, 0.0084611900000000 ] - [ 0.0024094900000000, -0.0004889700000000, 0.0003148800000000 ] - [ 0.0006150900000000, 0.0003874900000000, 0.0002024300000000 ] - [ 0.0012919300000000, -0.0018964200000000, 0.0005757000000000 ] - [ -0.0095146800000000, -0.0012092500000000, 0.0010846900000000 ] - [ 0.0012178000000000, 0.0002089400000000, 0.0009754600000000 ] - [ -0.0040136000000000, 0.0048597200000000, -0.0046838400000000 ] - [ 0.0022942400000000, -0.0010136600000000, 0.0005915600000000 ] - [ 0.0001190800000000, -0.0014115500000000, 0.0000323500000000 ] - [ 0.0008071300000000, 0.0004520200000000, -0.0000901900000000 ] - [ 0.0005993300000000, 0.0007956400000000, -0.0004878100000000 ] - [ 0.0014400200000000, -0.0009642000000000, -0.0004586300000000 ] - [ 0.0113661500000000, 0.0004874100000000, -0.0049510000000000 ] - [ 0.0102877700000000, 0.0012037000000000, 0.0036585100000000 ] - [ -0.0068972400000000, -0.0004265900000000, 0.0011013400000000 ] - [ 0.0019966500000000, -0.0007178500000000, 0.0006125100000000 ] - [ -0.0059739100000000, -0.0077776400000000, -0.0058490800000000 ] - [ 0.0016971500000000, -0.0002158000000000, 0.0003531900000000 ] - [ -0.0011546000000000, 0.0008249800000000, -0.0001830200000000 ] - [ -0.0001202900000000, -0.0013366100000000, -0.0001919900000000 ] - [ 0.0000335400000000, -0.0001924500000000, 0.0001973100000000 ] - [ -0.0004086400000000, 0.0001626200000000, 0.0000491100000000 ] - [ 0.0004947000000000, 0.0001528900000000, 0.0001185800000000 ] - [ -0.0002340000000000, 0.0002106700000000, -0.0001277200000000 ] - [ -0.0003942200000000, -0.0015995800000000, 0.0000889800000000 ] - [ 0.0002057500000000, 0.0007532000000000, 0.0005052400000000 ] - [ 0.0073558100000000, -0.0028086900000000, -0.0049562400000000 ] - [ -0.0015572000000000, -0.0003778900000000, -0.0003509600000000 ] - [ 0.0006270700000000, -0.0001233000000000, -0.0005354300000000 ] - [ 0.0000066300000000, -0.0001057200000000, -0.0007313000000000 ] - [ -0.0000756700000000, -0.0009660000000000, -0.0000545400000000 ] - [ -0.0002203600000000, 0.0003803300000000, 0.0000355200000000 ] - [ -0.0000897900000000, 0.0008842900000000, 0.0001168000000000 ] - [ -0.0006083200000000, -0.0006870600000000, 0.0000978300000000 ] - [ -0.0000409100000000, -0.0005412700000000, -0.0001757100000000 ] - [ -0.0007668000000000, -0.0007068900000000, -0.0004849500000000 ] - [ 0.0023781500000000, 0.0003172600000000, 0.0006416400000000 ] - [ -0.0005328300000000, -0.0002731400000000, -0.0002292200000000 ] - [ 0.0032919300000000, 0.0022530400000000, 0.0044019000000000 ] - [ -0.0021778000000000, -0.0004582800000000, -0.0009825100000000 ] - [ 0.0067422800000000, 0.0017695300000000, 0.0032117900000000 ] - [ -0.0019894300000000, 0.0001525200000000, -0.0001913900000000 ] - [ 0.0004686700000000, 0.0013022200000000, -0.0002031300000000 ] - [ -0.0006077900000000, -0.0002202700000000, -0.0001282900000000 ] - [ 0.0003147800000000, 0.0003796400000000, -0.0003092500000000 ] - [ -0.0007203800000000, -0.0000094400000000, -0.0005868500000000 ] - [ 0.0003177100000000, 0.0014326800000000, 0.0002723000000000 ] - [ -0.0006005300000000, -0.0009011900000000, -0.0005682100000000 ] - [ 0.0022514400000000, -0.0001685700000000, 0.0019143100000000 ] - [ -0.0008640700000000, -0.0003085300000000, -0.0003647900000000 ] - [ -0.0006124800000000, -0.0002530900000000, -0.0000695800000000 ] - [ -0.0001771900000000, 0.0001829300000000, 0.0000974500000000 ] - [ -0.0005721500000000, -0.0006443200000000, 0.0003698300000000 ] - [ -0.0009276300000000, 0.0000773800000000, 0.0001490100000000 ] - [ 0.0002140400000000, -0.0001061000000000, -0.0000016600000000 ] - [ -0.0003132600000000, 0.0002533300000000, -0.0001135500000000 ] - [ -0.0019726300000000, 0.0014801000000000, 0.0006137600000000 ] - [ -0.0028721200000000, -0.0046871600000000, -0.0008585400000000 ] - [ 0.0003144000000000, 0.0006683500000000, -0.0000930900000000 ] - [ -0.0004676800000000, 0.0004765400000000, -0.0002350300000000 ] - [ 0.0016759300000000, 0.0015756600000000, 0.0002635400000000 ] - [ -0.0014459600000000, -0.0002739000000000, -0.0006149200000000 ] - [ -0.0005970800000000, 0.0006751300000000, 0.0001291100000000 ] - [ -0.0008535900000000, -0.0002165700000000, -0.0000505900000000 ] - [ -0.0020551900000000, -0.0003961300000000, -0.0015168700000000 ] - [ 0.0000920700000000, 0.0004512600000000, 0.0013314900000000 ] - [ 0.0059415300000000, -0.0010771800000000, -0.0005961800000000 ] - [ -0.0006535400000000, 0.0003304300000000, -0.0002227800000000 ] - [ -0.0040559000000000, -0.0018242400000000, -0.0019804400000000 ] - [ -0.0032526700000000, -0.0002440700000000, 0.0013820800000000 ] - [ 0.0049324600000000, 0.0018745100000000, -0.0023299200000000 ] - [ -0.0016637700000000, -0.0004308600000000, -0.0003478400000000 ] - [ -0.0014911200000000, 0.0017692800000000, -0.0010402500000000 ] - [ -0.0001488500000000, -0.0001334500000000, 0.0007496600000000 ] - [ 0.0001017700000000, -0.0000269500000000, -0.0002923400000000 ] - [ 0.0007255000000000, 0.0004754000000000, -0.0001737200000000 ] - [ -0.0016880700000000, -0.0031900200000000, 0.0013030300000000 ] - [ -0.0031570400000000, 0.0015579600000000, -0.0017910700000000 ] - [ 0.0001386000000000, -0.0000002400000000, 0.0000909900000000 ] - [ 0.0002144700000000, -0.0004130400000000, 0.0001536500000000 ] - [ -0.0004899600000000, -0.0005951000000000, 0.0002981000000000 ] - [ -0.0001059000000000, 0.0025695100000000, -0.0000237700000000 ] - [ 0.0058250500000000, 0.0020967900000000, -0.0010078000000000 ] - [ -0.0004700400000000, -0.0004518000000000, -0.0004024900000000 ] - [ 0.0000171300000000, 0.0000311100000000, -0.0001418800000000 ] - [ 0.0003416000000000, -0.0004622300000000, -0.0000993500000000 ] - [ -0.0000428900000000, -0.0005401000000000, 0.0002773800000000 ] - [ -0.0006415700000000, -0.0004822000000000, 0.0001562600000000 ] - [ -0.0010107200000000, -0.0008650000000000, 0.0000951700000000 ] - [ -0.0009303700000000, -0.0006781800000000, -0.0030499100000000 ] - [ 0.0017010600000000, -0.0015965400000000, -0.0000833400000000 ] - [ -0.0008885400000000, -0.0004604100000000, -0.0006198100000000 ] - [ -0.0028569700000000, -0.0000038500000000, 0.0004210000000000 ] - [ 0.0052969500000000, 0.0011456000000000, -0.0000475100000000 ] - [ 0.0007316300000000, -0.0005032000000000, -0.0002137500000000 ] - [ -0.0008872300000000, 0.0004641800000000, -0.0003473400000000 ] - [ -0.0004963600000000, 0.0008235800000000, 0.0000358500000000 ] - [ 0.0005407300000000, -0.0007979800000000, 0.0006167200000000 ] - [ 0.0013540100000000, 0.0007045300000000, 0.0003807800000000 ] - [ -0.0007930000000000, 0.0005665000000000, -0.0003880800000000 ] - [ 0.0063205600000000, -0.0002937800000000, 0.0018839600000000 ] - [ -0.0018148000000000, -0.0002678200000000, -0.0004126200000000 ] - [ 0.0102076100000000, 0.0033720300000000, -0.0031684900000000 ] - [ -0.0012300800000000, -0.0000523200000000, -0.0003894700000000 ] - [ 0.0002181100000000, -0.0012045900000000, 0.0005910100000000 ] - [ -0.0011986800000000, 0.0003186200000000, 0.0000940000000000 ] - [ 0.0006294600000000, 0.0003495900000000, 0.0008114900000000 ] - [ -0.0003958900000000, -0.0001612400000000, 0.0005557300000000 ] - [ 0.0014396300000000, -0.0001265000000000, 0.0009330400000000 ] - [ -0.0008668700000000, 0.0004910300000000, -0.0005950900000000 ] - [ 0.0003671000000000, 0.0005915800000000, -0.0001972300000000 ] - [ -0.0003811200000000, 0.0006471400000000, -0.0003561500000000 ] - [ 0.0013979900000000, -0.0018993600000000, -0.0011807400000000 ] - [ -0.0010847000000000, 0.0007686200000000, 0.0000468300000000 ]- atom: 9 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0013607500000000, 0.0000909700000000, -0.0000948200000000 ] - [ -0.0013179900000000, 0.0006354700000000, -0.0004925300000000 ] - [ -0.0023263400000000, 0.0031001800000000, -0.0012039000000000 ] - [ -0.0020074000000000, -0.0053094200000000, 0.0017929900000000 ] - [ 0.0013973900000000, 0.0006174500000000, 0.0006017800000000 ] - [ -0.0011369800000000, 0.0008721200000000, -0.0004670300000000 ] - [ -0.0004867900000000, 0.0001652900000000, 0.0002573600000000 ] - [ 0.0000413100000000, 0.0005043700000000, 0.0004336400000000 ] - [ 0.0435193400000000, -0.0001379100000000, -0.0126309100000000 ] - [ -0.0045520600000000, 0.0000982900000000, -0.0003535600000000 ] - [ 0.0004194800000000, 0.0000308300000000, -0.0003674400000000 ] - [ 0.0005938200000000, 0.0000518900000000, -0.0003500900000000 ] - [ -0.0034944800000000, -0.0041408100000000, -0.0011946100000000 ] - [ -0.0034441600000000, 0.0063632900000000, 0.0029910800000000 ] - [ 0.0069046900000000, -0.0006980200000000, 0.0098827000000000 ] - [ -0.0034084400000000, 0.0006208600000000, -0.0016790700000000 ] - [ 0.0014292500000000, 0.0008304500000000, 0.0008568900000000 ] - [ -0.0014230200000000, 0.0001452800000000, -0.0003072900000000 ] - [ 0.0019926600000000, 0.0003958900000000, 0.0000328400000000 ] - [ -0.0015955200000000, 0.0004046900000000, -0.0005426300000000 ] - [ -0.0022627500000000, -0.0016086700000000, 0.0000175100000000 ] - [ 0.0013097800000000, 0.0055716200000000, -0.0044939200000000 ] - [ -0.0016136000000000, 0.0024463800000000, 0.0002941300000000 ] - [ 0.0003300000000000, -0.0032295700000000, -0.0020293800000000 ] - [ 0.0005193400000000, 0.0001070400000000, 0.0000749900000000 ] - [ -0.0007918700000000, 0.0000276700000000, -0.0002417800000000 ] - [ 0.0004895500000000, 0.0009138400000000, 0.0002806600000000 ] - [ -0.0000091600000000, -0.0014040600000000, -0.0000785400000000 ] - [ 0.0003074500000000, -0.0006368100000000, 0.0003218100000000 ] - [ -0.0010290600000000, -0.0007054900000000, -0.0000606200000000 ] - [ -0.0026482500000000, -0.0008558000000000, -0.0086511400000000 ] - [ -0.0016281600000000, -0.0009069200000000, -0.0005687300000000 ] - [ 0.0007819000000000, -0.0017567600000000, 0.0005138200000000 ] - [ 0.0001166100000000, 0.0005297300000000, 0.0001445000000000 ] - [ 0.0077778600000000, 0.0010964800000000, -0.0000652400000000 ] - [ -0.0029394300000000, -0.0003713800000000, 0.0000791900000000 ] - [ 0.0029810900000000, -0.0055849800000000, 0.0043425600000000 ] - [ -0.0032709700000000, 0.0003095600000000, -0.0009331800000000 ] - [ 0.0004664200000000, 0.0007291400000000, -0.0001742400000000 ] - [ -0.0002114400000000, -0.0011363600000000, -0.0000481600000000 ] - [ 0.0011197800000000, -0.0009591000000000, -0.0005737000000000 ] - [ 0.0002908200000000, 0.0008015000000000, -0.0005991200000000 ] - [ -0.0109595400000000, -0.0004135500000000, 0.0050707800000000 ] - [ -0.0100616900000000, -0.0011192800000000, -0.0035005300000000 ] - [ 0.0062784100000000, -0.0003087300000000, -0.0009814000000000 ] - [ -0.0025916900000000, 0.0000338700000000, -0.0004611000000000 ] - [ 0.0045046800000000, 0.0064071100000000, 0.0051288800000000 ] - [ -0.0031088400000000, -0.0011645500000000, -0.0010828900000000 ] - [ 0.0000376000000000, -0.0007560900000000, 0.0000204100000000 ] - [ -0.0010053100000000, 0.0014038900000000, 0.0000279700000000 ] - [ -0.0003676100000000, 0.0001600200000000, 0.0000601500000000 ] - [ 0.0000709900000000, -0.0001950500000000, 0.0002072500000000 ] - [ -0.0002651400000000, 0.0002194600000000, -0.0001396600000000 ] - [ 0.0004657600000000, 0.0001640000000000, 0.0001072700000000 ] - [ 0.0003675400000000, 0.0003718200000000, 0.0006605100000000 ] - [ -0.0002401900000000, -0.0019781700000000, 0.0002418500000000 ] - [ -0.0077113600000000, 0.0024106500000000, 0.0047779200000000 ] - [ 0.0011624800000000, -0.0000588300000000, 0.0001014100000000 ] - [ -0.0000006400000000, -0.0001328400000000, -0.0007427300000000 ] - [ 0.0006179800000000, -0.0001499600000000, -0.0005471400000000 ] - [ -0.0000486500000000, 0.0002664100000000, 0.0000571400000000 ] - [ 0.0000909600000000, -0.0010791600000000, -0.0000345200000000 ] - [ -0.0001104400000000, -0.0005886100000000, 0.0002220900000000 ] - [ 0.0004015000000000, 0.0009820400000000, 0.0002392800000000 ] - [ -0.0008151600000000, -0.0007247500000000, -0.0005456800000000 ] - [ -0.0000898200000000, -0.0005628800000000, -0.0002369100000000 ] - [ -0.0012673000000000, -0.0002399300000000, -0.0004813200000000 ] - [ 0.0016506400000000, 0.0003352700000000, 0.0003927000000000 ] - [ -0.0027777500000000, -0.0023261500000000, -0.0047557900000000 ] - [ 0.0025188100000000, 0.0004284200000000, 0.0007285000000000 ] - [ -0.0074997000000000, -0.0014538800000000, -0.0027756300000000 ] - [ 0.0012037100000000, 0.0002020000000000, 0.0006626000000000 ] - [ -0.0001955700000000, -0.0008839600000000, 0.0004768900000000 ] - [ 0.0008681400000000, 0.0006430900000000, 0.0003949300000000 ] - [ -0.0007911700000000, -0.0000903900000000, -0.0005923400000000 ] - [ 0.0002410600000000, 0.0003003400000000, -0.0003157500000000 ] - [ 0.0003870900000000, -0.0016419500000000, -0.0007465100000000 ] - [ 0.0012938800000000, 0.0006952400000000, 0.0000948600000000 ] - [ -0.0021148800000000, -0.0005359600000000, -0.0019136300000000 ] - [ 0.0009901300000000, -0.0003853800000000, 0.0003628900000000 ] - [ -0.0001559400000000, 0.0001113100000000, 0.0000926700000000 ] - [ -0.0005958200000000, -0.0003222600000000, -0.0000759700000000 ] - [ -0.0008249500000000, 0.0000502700000000, 0.0001951400000000 ] - [ -0.0004740400000000, -0.0006717600000000, 0.0004146100000000 ] - [ -0.0002801900000000, 0.0002598200000000, -0.0001051100000000 ] - [ 0.0002435500000000, -0.0000998500000000, 0.0000058600000000 ] - [ 0.0028192700000000, -0.0027325700000000, 0.0001144400000000 ] - [ 0.0037503100000000, 0.0034644600000000, 0.0015928200000000 ] - [ -0.0005283700000000, 0.0004235800000000, -0.0002221800000000 ] - [ 0.0002549700000000, 0.0006121500000000, -0.0000799900000000 ] - [ -0.0018497500000000, -0.0012615700000000, -0.0007901900000000 ] - [ 0.0012814900000000, 0.0005781800000000, 0.0000903900000000 ] - [ -0.0007297800000000, -0.0003268900000000, -0.0000143600000000 ] - [ -0.0004776300000000, 0.0005648600000000, 0.0001641400000000 ] - [ 0.0018214400000000, 0.0007661100000000, 0.0015298500000000 ] - [ -0.0003383700000000, -0.0000777500000000, -0.0013283200000000 ] - [ -0.0045725100000000, 0.0014892400000000, 0.0004891300000000 ] - [ 0.0019820900000000, 0.0000147500000000, 0.0001081900000000 ] - [ 0.0036971500000000, 0.0015818700000000, 0.0033030300000000 ] - [ 0.0026386000000000, -0.0000141100000000, -0.0001124100000000 ] - [ -0.0048139500000000, -0.0017272500000000, 0.0024671100000000 ] - [ 0.0017303300000000, 0.0005861400000000, 0.0004547300000000 ] - [ 0.0017049400000000, -0.0006709300000000, 0.0013484000000000 ] - [ 0.0003494500000000, 0.0012273100000000, -0.0004451400000000 ] - [ 0.0006867800000000, 0.0003758400000000, -0.0001777500000000 ] - [ 0.0000581300000000, -0.0001244000000000, -0.0002979000000000 ] - [ 0.0014857200000000, 0.0032251200000000, -0.0026325700000000 ] - [ 0.0029567400000000, -0.0014995200000000, 0.0004429400000000 ] - [ 0.0002555900000000, -0.0004354200000000, 0.0001575000000000 ] - [ 0.0001764200000000, -0.0000228600000000, 0.0000941300000000 ] - [ 0.0005284700000000, 0.0016850900000000, 0.0001249000000000 ] - [ 0.0001392100000000, -0.0014781000000000, 0.0004470000000000 ] - [ -0.0043615800000000, -0.0027764300000000, 0.0004501500000000 ] - [ 0.0018698300000000, -0.0001380000000000, -0.0001628100000000 ] - [ 0.0003801900000000, -0.0004324500000000, -0.0000866100000000 ] - [ 0.0000519300000000, 0.0000600500000000, -0.0001302400000000 ] - [ -0.0006648600000000, -0.0004988100000000, 0.0001600800000000 ] - [ -0.0000666000000000, -0.0005565600000000, 0.0002810300000000 ] - [ 0.0017213200000000, -0.0001708600000000, -0.0005238300000000 ] - [ 0.0016355700000000, -0.0003604700000000, 0.0026336200000000 ] - [ -0.0016750300000000, 0.0003656700000000, -0.0006661400000000 ] - [ 0.0009186800000000, -0.0007596200000000, -0.0001300900000000 ] - [ 0.0028897100000000, 0.0012220100000000, 0.0001417500000000 ] - [ -0.0059211300000000, 0.0004040800000000, 0.0005037700000000 ] - [ -0.0009881700000000, 0.0009303600000000, -0.0000519400000000 ] - [ 0.0006233900000000, -0.0000452600000000, 0.0000772800000000 ] - [ 0.0006606900000000, -0.0005129700000000, 0.0004883300000000 ] - [ -0.0003837500000000, 0.0011054400000000, -0.0000956600000000 ] - [ -0.0013908500000000, 0.0003793100000000, -0.0008041200000000 ] - [ 0.0007561700000000, 0.0005335900000000, -0.0000332100000000 ] - [ -0.0067098500000000, -0.0001233000000000, -0.0016276800000000 ] - [ 0.0014173800000000, -0.0001356600000000, 0.0006412300000000 ] - [ -0.0095618100000000, -0.0037485300000000, 0.0033618600000000 ] - [ 0.0019996500000000, -0.0000844200000000, 0.0003658400000000 ] - [ -0.0009061300000000, 0.0009972800000000, -0.0001174900000000 ] - [ 0.0005008300000000, -0.0005330300000000, 0.0003802800000000 ] - [ -0.0004253700000000, -0.0002856200000000, 0.0005390300000000 ] - [ 0.0005967300000000, 0.0002271600000000, 0.0007943700000000 ] - [ -0.0012260100000000, 0.0004313300000000, -0.0012670200000000 ] - [ 0.0010710100000000, -0.0001988600000000, 0.0002573200000000 ] - [ -0.0004113700000000, 0.0006296900000000, -0.0003631300000000 ] - [ 0.0003394500000000, 0.0005768000000000, -0.0002033200000000 ] - [ -0.0008986300000000, 0.0021772800000000, 0.0020792300000000 ] - [ 0.0015589800000000, -0.0004818500000000, 0.0008534900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001561000000000, 0.0051313000000000, -0.0002333100000000 ] - [ -0.0004157200000000, 0.0015612100000000, -0.0003182300000000 ] - [ -0.0030950400000000, 0.0000615400000000, -0.0010305900000000 ] - [ 0.0058221300000000, 0.0033212700000000, -0.0006482300000000 ] - [ -0.0001234100000000, 0.0045194900000000, -0.0000122500000000 ] - [ -0.0000500100000000, 0.0017982600000000, -0.0000707300000000 ] - [ 0.0000231000000000, 0.0025435600000000, 0.0004549700000000 ] - [ -0.0002255800000000, 0.0031476100000000, 0.0003880100000000 ] - [ -0.0003390100000000, -0.0727061100000000, -0.0019224800000000 ] - [ -0.0006207700000000, -0.0022394400000000, 0.0003035400000000 ] - [ 0.0005534100000000, 0.0023953800000000, -0.0003698000000000 ] - [ 0.0005713700000000, 0.0026541800000000, -0.0003469500000000 ] - [ 0.0043417100000000, 0.0003431700000000, 0.0012194100000000 ] - [ -0.0049535000000000, 0.0015207000000000, 0.0010513300000000 ] - [ 0.0007877200000000, -0.0154388700000000, 0.0004489100000000 ] - [ 0.0001444900000000, -0.0019473500000000, -0.0003013100000000 ] - [ -0.0008561000000000, 0.0042106700000000, -0.0000419600000000 ] - [ 0.0001061400000000, 0.0013843500000000, 0.0002388100000000 ] - [ -0.0013066100000000, 0.0063032700000000, -0.0005867700000000 ] - [ -0.0001039900000000, 0.0015572800000000, -0.0002575300000000 ] - [ 0.0021403500000000, -0.0009572300000000, 0.0007516300000000 ] - [ -0.0050311900000000, 0.0009208800000000, -0.0045631300000000 ] - [ -0.0020449000000000, -0.0002838800000000, -0.0003033500000000 ] - [ 0.0051806600000000, 0.0022947100000000, 0.0034215600000000 ] - [ -0.0001533800000000, 0.0030497200000000, -0.0000908500000000 ] - [ -0.0002047900000000, 0.0014679300000000, -0.0001164400000000 ] - [ -0.0008194700000000, 0.0019088200000000, 0.0001297800000000 ] - [ 0.0015426300000000, 0.0013638500000000, 0.0005976900000000 ] - [ -0.0003654900000000, 0.0022342100000000, 0.0001526600000000 ] - [ -0.0004083500000000, 0.0007067900000000, 0.0001405700000000 ] - [ -0.0003361400000000, -0.0076331800000000, 0.0005499700000000 ] - [ 0.0003625300000000, -0.0045559000000000, -0.0000544300000000 ] - [ 0.0022228400000000, 0.0015173200000000, 0.0004822600000000 ] - [ -0.0002987200000000, 0.0011517000000000, 0.0000863700000000 ] - [ -0.0025136700000000, 0.0081597400000000, -0.0114105100000000 ] - [ -0.0003955700000000, -0.0009883100000000, 0.0006264100000000 ] - [ 0.0055913500000000, 0.0071111800000000, -0.0082613400000000 ] - [ -0.0012950500000000, -0.0006956300000000, -0.0003284200000000 ] - [ -0.0007983200000000, 0.0019548100000000, -0.0006773400000000 ] - [ 0.0012546300000000, 0.0012781700000000, 0.0000219500000000 ] - [ 0.0022522200000000, 0.0020649500000000, 0.0000943400000000 ] - [ -0.0000087700000000, 0.0014714700000000, -0.0007244500000000 ] - [ -0.0007426500000000, -0.0068682900000000, -0.0009153000000000 ] - [ -0.0012628200000000, -0.0065417300000000, -0.0005722500000000 ] - [ 0.0007588600000000, 0.0073744200000000, 0.0102105300000000 ] - [ -0.0007553300000000, -0.0008568300000000, -0.0000705900000000 ] - [ -0.0078865600000000, 0.0076389400000000, 0.0095540600000000 ] - [ -0.0000531900000000, -0.0015659700000000, -0.0001813300000000 ] - [ 0.0001855000000000, -0.0004382500000000, 0.0000495600000000 ] - [ -0.0015767700000000, -0.0014959100000000, -0.0004144800000000 ] - [ -0.0002197800000000, -0.0013264500000000, 0.0001467800000000 ] - [ 0.0000419800000000, -0.0009241700000000, 0.0002036600000000 ] - [ -0.0001679900000000, -0.0015646900000000, -0.0001324500000000 ] - [ 0.0000423900000000, -0.0005606200000000, -0.0000685300000000 ] - [ -0.0007513100000000, -0.0010149800000000, -0.0000035100000000 ] - [ 0.0008190800000000, -0.0014695300000000, 0.0007418500000000 ] - [ -0.0022391200000000, 0.0132848100000000, 0.0067921700000000 ] - [ -0.0001022600000000, 0.0006932000000000, -0.0001667400000000 ] - [ 0.0004407400000000, -0.0014579100000000, -0.0005985400000000 ] - [ 0.0003493900000000, -0.0008098500000000, -0.0006347800000000 ] - [ -0.0007321400000000, -0.0014764600000000, -0.0002016500000000 ] - [ 0.0003366400000000, -0.0014720900000000, 0.0000394300000000 ] - [ 0.0007429400000000, -0.0009575500000000, 0.0003947900000000 ] - [ -0.0008955300000000, -0.0009694100000000, 0.0000317900000000 ] - [ -0.0006465400000000, -0.0026540300000000, -0.0003510400000000 ] - [ -0.0004888800000000, -0.0013442400000000, -0.0004116400000000 ] - [ 0.0014546300000000, -0.0025323500000000, 0.0016373600000000 ] - [ 0.0003467400000000, -0.0000714000000000, 0.0000250300000000 ] - [ 0.0029988100000000, 0.0064682600000000, -0.0018506600000000 ] - [ -0.0000221400000000, 0.0012094300000000, -0.0001960300000000 ] - [ -0.0001653200000000, 0.0080187700000000, 0.0009284200000000 ] - [ 0.0000536800000000, 0.0010087000000000, 0.0003751700000000 ] - [ 0.0017761800000000, -0.0011460800000000, 0.0017705800000000 ] - [ -0.0007424700000000, 0.0001359000000000, -0.0003083100000000 ] - [ -0.0000833800000000, -0.0013905100000000, -0.0003215800000000 ] - [ -0.0004993800000000, -0.0005448400000000, -0.0004985200000000 ] - [ 0.0024496600000000, -0.0015352800000000, -0.0008352500000000 ] - [ -0.0006755100000000, -0.0003257200000000, -0.0003725300000000 ] - [ 0.0004895200000000, -0.0005088300000000, 0.0002364300000000 ] - [ -0.0000848200000000, 0.0001644900000000, -0.0000485200000000 ] - [ -0.0005111400000000, -0.0009571200000000, -0.0000939500000000 ] - [ 0.0001986700000000, -0.0014428300000000, 0.0000848700000000 ] - [ -0.0012439700000000, -0.0014099200000000, 0.0001404400000000 ] - [ -0.0004312800000000, -0.0011061400000000, 0.0004107200000000 ] - [ -0.0000526600000000, -0.0012852400000000, -0.0000838500000000 ] - [ 0.0001970500000000, -0.0007805500000000, -0.0000069600000000 ] - [ 0.0016040000000000, 0.0005248500000000, 0.0004344200000000 ] - [ -0.0030394100000000, 0.0013649100000000, -0.0005773100000000 ] - [ -0.0000559800000000, -0.0014298300000000, -0.0001647900000000 ] - [ -0.0001764400000000, -0.0001807600000000, -0.0001422200000000 ] - [ 0.0017194800000000, -0.0024322200000000, -0.0012072200000000 ] - [ -0.0005674200000000, -0.0000323900000000, -0.0003868400000000 ] - [ -0.0001951100000000, -0.0009951600000000, 0.0001722800000000 ] - [ -0.0009800400000000, -0.0007604700000000, -0.0000944100000000 ] - [ -0.0008274600000000, 0.0016586600000000, -0.0003985700000000 ] - [ 0.0010070500000000, 0.0028268600000000, 0.0000604400000000 ] - [ -0.0013679100000000, 0.0009883600000000, -0.0004700500000000 ] - [ 0.0010441300000000, 0.0005834300000000, -0.0000300900000000 ] - [ -0.0006278200000000, 0.0056504000000000, 0.0006442200000000 ] - [ 0.0004484700000000, 0.0017524800000000, 0.0004150900000000 ] - [ 0.0022339300000000, 0.0056004800000000, 0.0038740200000000 ] - [ -0.0000348000000000, 0.0011266000000000, 0.0000287600000000 ] - [ 0.0010040700000000, 0.0018291400000000, 0.0004911200000000 ] - [ -0.0015885000000000, 0.0027636200000000, -0.0000303600000000 ] - [ 0.0002361100000000, -0.0006854300000000, -0.0002192100000000 ] - [ 0.0010490600000000, -0.0013099600000000, 0.0000072600000000 ] - [ -0.0039740800000000, 0.0018013200000000, 0.0002288600000000 ] - [ 0.0015355000000000, 0.0004726100000000, -0.0001707100000000 ] - [ 0.0004827200000000, -0.0014099500000000, 0.0001708600000000 ] - [ 0.0001365000000000, -0.0014942100000000, 0.0000572500000000 ] - [ -0.0007957800000000, 0.0001834400000000, 0.0002185100000000 ] - [ 0.0013068000000000, -0.0007301200000000, 0.0004763500000000 ] - [ 0.0034792200000000, -0.0007827000000000, 0.0004705800000000 ] - [ 0.0003100700000000, 0.0002844000000000, -0.0003435600000000 ] - [ 0.0004320600000000, -0.0012698000000000, -0.0000380700000000 ] - [ -0.0001292200000000, -0.0016223600000000, -0.0001562000000000 ] - [ -0.0002339000000000, -0.0022888100000000, 0.0002408400000000 ] - [ -0.0003045900000000, -0.0012848400000000, 0.0002375000000000 ] - [ 0.0009210900000000, 0.0019132600000000, -0.0000717200000000 ] - [ 0.0005562700000000, 0.0025958700000000, 0.0003499100000000 ] - [ -0.0009702600000000, -0.0037545700000000, 0.0003987600000000 ] - [ 0.0002533000000000, -0.0008060100000000, -0.0003255700000000 ] - [ -0.0006912200000000, 0.0020006900000000, 0.0002895300000000 ] - [ 0.0008888800000000, 0.0071639400000000, 0.0005667800000000 ] - [ -0.0010489500000000, -0.0023688200000000, -0.0012510300000000 ] - [ 0.0001585300000000, -0.0000741700000000, -0.0000376100000000 ] - [ 0.0008028800000000, -0.0002907000000000, 0.0005288800000000 ] - [ -0.0006458200000000, -0.0009249000000000, 0.0001206100000000 ] - [ -0.0003531900000000, -0.0027440600000000, -0.0013469800000000 ] - [ 0.0000313500000000, 0.0003847000000000, -0.0001841000000000 ] - [ 0.0001299600000000, 0.0105003100000000, -0.0032487700000000 ] - [ -0.0002654000000000, 0.0006852700000000, 0.0001455300000000 ] - [ 0.0029959200000000, 0.0102581100000000, -0.0026945300000000 ] - [ 0.0008366000000000, 0.0008366500000000, 0.0000654800000000 ] - [ -0.0019185800000000, -0.0028201000000000, 0.0007692700000000 ] - [ 0.0001253800000000, -0.0004319500000000, 0.0002956100000000 ] - [ 0.0002957900000000, -0.0014948600000000, 0.0006507800000000 ] - [ -0.0001801100000000, -0.0006859900000000, 0.0005834300000000 ] - [ -0.0003349500000000, -0.0011355900000000, -0.0002734400000000 ] - [ 0.0003442300000000, 0.0001950500000000, -0.0000398400000000 ] - [ -0.0002693700000000, -0.0010187200000000, -0.0003338600000000 ] - [ -0.0000636800000000, -0.0000670900000000, -0.0002708000000000 ] - [ -0.0026814200000000, 0.0016225800000000, -0.0021931300000000 ] - [ 0.0010126900000000, 0.0009037900000000, 0.0007836200000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005659500000000, -0.0045020900000000, -0.0002797000000000 ] - [ 0.0000083500000000, -0.0009193300000000, -0.0001946600000000 ] - [ 0.0033166300000000, 0.0006987400000000, 0.0007694300000000 ] - [ -0.0056326700000000, -0.0025662000000000, 0.0003948800000000 ] - [ 0.0001853600000000, -0.0030651800000000, -0.0001304700000000 ] - [ 0.0001119600000000, -0.0003400800000000, -0.0000714400000000 ] - [ -0.0004297400000000, -0.0019542300000000, 0.0002389700000000 ] - [ -0.0001877600000000, -0.0025594800000000, 0.0003048400000000 ] - [ -0.0005461700000000, 0.0728588700000000, 0.0025123900000000 ] - [ -0.0004290800000000, 0.0022458300000000, 0.0003984200000000 ] - [ 0.0004992200000000, -0.0023906100000000, -0.0003311500000000 ] - [ 0.0004750300000000, -0.0026505200000000, -0.0003563600000000 ] - [ -0.0043908200000000, 0.0010916000000000, -0.0010736500000000 ] - [ 0.0048803700000000, -0.0000886200000000, -0.0009115600000000 ] - [ -0.0003607200000000, 0.0160614500000000, -0.0011383300000000 ] - [ 0.0002632100000000, 0.0025395600000000, -0.0003931600000000 ] - [ 0.0006425400000000, -0.0034634700000000, 0.0003051700000000 ] - [ -0.0003160500000000, -0.0006404700000000, 0.0000251400000000 ] - [ 0.0009247800000000, -0.0052641100000000, 0.0000677900000000 ] - [ -0.0002719100000000, -0.0005387600000000, -0.0002593200000000 ] - [ -0.0017312600000000, 0.0015865800000000, -0.0002386000000000 ] - [ 0.0054248300000000, -0.0003074200000000, 0.0050619700000000 ] - [ 0.0024229600000000, 0.0013196500000000, 0.0008205900000000 ] - [ -0.0048153600000000, -0.0012625200000000, -0.0029217200000000 ] - [ -0.0001496600000000, -0.0029694000000000, -0.0000948400000000 ] - [ -0.0001010500000000, -0.0013906400000000, -0.0000688500000000 ] - [ 0.0018016300000000, -0.0026197700000000, 0.0002137500000000 ] - [ -0.0005712500000000, -0.0020736600000000, -0.0002551500000000 ] - [ -0.0004051800000000, -0.0036283600000000, 0.0001045500000000 ] - [ -0.0003640800000000, -0.0021005200000000, 0.0001159800000000 ] - [ 0.0010831900000000, 0.0062338300000000, -0.0008486400000000 ] - [ 0.0004179800000000, 0.0031656000000000, -0.0002034500000000 ] - [ -0.0008082200000000, -0.0028890200000000, 0.0002395500000000 ] - [ 0.0016994300000000, -0.0025255300000000, 0.0006318100000000 ] - [ 0.0007975600000000, -0.0083666200000000, 0.0126022700000000 ] - [ -0.0013299100000000, 0.0008370400000000, 0.0004264500000000 ] - [ -0.0065198200000000, -0.0077900300000000, 0.0078271700000000 ] - [ 0.0003209900000000, -0.0000206000000000, -0.0000110100000000 ] - [ 0.0013971000000000, -0.0026370300000000, 0.0005424300000000 ] - [ -0.0006655500000000, -0.0019596700000000, -0.0001623000000000 ] - [ -0.0005218100000000, -0.0022318100000000, -0.0011522500000000 ] - [ 0.0017330000000000, -0.0016401100000000, -0.0003360200000000 ] - [ 0.0009965500000000, 0.0069404200000000, 0.0011236600000000 ] - [ 0.0015946200000000, 0.0066355200000000, 0.0007714800000000 ] - [ -0.0013601900000000, -0.0080276400000000, -0.0099483800000000 ] - [ 0.0001606900000000, 0.0001630600000000, 0.0002205500000000 ] - [ 0.0065566300000000, -0.0090580700000000, -0.0104032900000000 ] - [ -0.0013541300000000, 0.0002016100000000, -0.0005470900000000 ] - [ -0.0013056400000000, 0.0005004200000000, -0.0002129300000000 ] - [ 0.0004652800000000, 0.0015627100000000, 0.0002529800000000 ] - [ -0.0001182700000000, 0.0012938400000000, 0.0001095900000000 ] - [ -0.0003763300000000, 0.0008929900000000, 0.0000536200000000 ] - [ 0.0004000800000000, 0.0019390100000000, 0.0001114600000000 ] - [ 0.0001882200000000, 0.0009338700000000, 0.0000477000000000 ] - [ 0.0007188200000000, -0.0002045600000000, 0.0007514900000000 ] - [ -0.0008447800000000, 0.0002522700000000, 0.0000086000000000 ] - [ 0.0017468600000000, -0.0135642200000000, -0.0067037800000000 ] - [ -0.0002893400000000, -0.0011274000000000, -0.0000814000000000 ] - [ 0.0001835600000000, 0.0012015800000000, -0.0006800700000000 ] - [ 0.0002763300000000, 0.0005543200000000, -0.0006433400000000 ] - [ 0.0006015400000000, 0.0007790600000000, 0.0002026100000000 ] - [ -0.0004606900000000, 0.0007765300000000, -0.0000372200000000 ] - [ -0.0009513100000000, 0.0012520600000000, -0.0000575500000000 ] - [ 0.0006925000000000, 0.0012622900000000, 0.0003061300000000 ] - [ -0.0002096100000000, 0.0013839700000000, -0.0003688600000000 ] - [ -0.0003670700000000, 0.0000779800000000, -0.0003099400000000 ] - [ -0.0003308900000000, 0.0025945700000000, -0.0014569700000000 ] - [ 0.0007712100000000, 0.0001391900000000, 0.0001384900000000 ] - [ -0.0026399700000000, -0.0065572700000000, 0.0015656400000000 ] - [ 0.0003565000000000, -0.0012437800000000, -0.0000611200000000 ] - [ -0.0006883800000000, -0.0079266300000000, -0.0007661100000000 ] - [ -0.0008389500000000, -0.0006598300000000, 0.0000951700000000 ] - [ -0.0015165900000000, 0.0015655900000000, -0.0015113000000000 ] - [ 0.0010079500000000, 0.0002823200000000, 0.0005776000000000 ] - [ -0.0003966300000000, 0.0016817800000000, -0.0005816400000000 ] - [ 0.0000211100000000, 0.0008344700000000, -0.0004034800000000 ] - [ -0.0017618100000000, 0.0013220600000000, 0.0003659300000000 ] - [ 0.0013734000000000, 0.0001107900000000, -0.0001022200000000 ] - [ -0.0003624500000000, -0.0002036900000000, -0.0002390600000000 ] - [ 0.0002117600000000, -0.0008647300000000, 0.0000464500000000 ] - [ -0.0002611100000000, 0.0008182800000000, 0.0001161900000000 ] - [ -0.0009665500000000, 0.0013034600000000, -0.0000619500000000 ] - [ -0.0001581900000000, 0.0008163700000000, 0.0004229200000000 ] - [ -0.0009664700000000, 0.0005143400000000, 0.0001539300000000 ] - [ -0.0000172400000000, 0.0014383800000000, -0.0000242000000000 ] - [ -0.0002637600000000, 0.0009353800000000, -0.0001001600000000 ] - [ -0.0007430300000000, -0.0018034100000000, 0.0002886000000000 ] - [ 0.0039050100000000, -0.0026522800000000, 0.0013012200000000 ] - [ -0.0001561500000000, 0.0025179600000000, -0.0001511400000000 ] - [ -0.0000370700000000, 0.0012725000000000, -0.0001731500000000 ] - [ -0.0018674300000000, 0.0027342500000000, 0.0006714700000000 ] - [ 0.0004042800000000, 0.0003425100000000, -0.0001371300000000 ] - [ -0.0011353500000000, 0.0013422100000000, -0.0000590400000000 ] - [ -0.0003478100000000, 0.0011066500000000, 0.0002089300000000 ] - [ 0.0005993900000000, -0.0012786100000000, 0.0004232300000000 ] - [ -0.0012457400000000, -0.0024466300000000, -0.0000417900000000 ] - [ 0.0028402900000000, -0.0001271500000000, 0.0004013200000000 ] - [ 0.0002841900000000, -0.0002336000000000, -0.0000835100000000 ] - [ 0.0000460500000000, -0.0058936000000000, 0.0006466000000000 ] - [ -0.0010797500000000, -0.0020090700000000, 0.0008646300000000 ] - [ -0.0021638600000000, -0.0055001700000000, -0.0037479800000000 ] - [ 0.0001009400000000, -0.0009759600000000, 0.0000782500000000 ] - [ -0.0007870600000000, -0.0007467900000000, -0.0001740700000000 ] - [ 0.0017978600000000, -0.0016810400000000, 0.0003437700000000 ] - [ 0.0005486100000000, 0.0010372200000000, -0.0002520300000000 ] - [ -0.0002588500000000, 0.0016599600000000, -0.0004771500000000 ] - [ 0.0037589200000000, -0.0017159200000000, -0.0015735600000000 ] - [ -0.0017446900000000, -0.0004006400000000, -0.0011823500000000 ] - [ -0.0000914700000000, 0.0009742200000000, 0.0000767000000000 ] - [ 0.0002568900000000, 0.0010578400000000, 0.0001910200000000 ] - [ 0.0008292700000000, 0.0009170500000000, 0.0002031600000000 ] - [ -0.0012627800000000, 0.0018313900000000, -0.0000522600000000 ] - [ -0.0019492000000000, -0.0001964100000000, -0.0009981100000000 ] - [ 0.0010897100000000, -0.0008797700000000, -0.0002203500000000 ] - [ -0.0000377000000000, 0.0008672300000000, -0.0001911500000000 ] - [ 0.0005270200000000, 0.0012205100000000, -0.0000723300000000 ] - [ -0.0004748900000000, 0.0012496800000000, 0.0001961900000000 ] - [ -0.0004034300000000, 0.0002465200000000, 0.0001998200000000 ] - [ -0.0002069600000000, -0.0029467300000000, -0.0003646100000000 ] - [ 0.0001464100000000, -0.0036355600000000, -0.0007941400000000 ] - [ 0.0010090000000000, 0.0025390600000000, -0.0011583000000000 ] - [ -0.0002229600000000, -0.0004194600000000, -0.0004243000000000 ] - [ 0.0007382500000000, -0.0007719700000000, 0.0002679300000000 ] - [ -0.0010072200000000, -0.0058616800000000, -0.0000326000000000 ] - [ 0.0007824800000000, 0.0027835500000000, 0.0009753200000000 ] - [ -0.0004195400000000, 0.0004979300000000, -0.0002316000000000 ] - [ -0.0006425800000000, 0.0005957900000000, -0.0000059000000000 ] - [ 0.0008098900000000, 0.0012298600000000, 0.0004038700000000 ] - [ 0.0003171600000000, 0.0038504500000000, 0.0009376500000000 ] - [ -0.0000682700000000, 0.0007097700000000, -0.0002373100000000 ] - [ -0.0005041200000000, -0.0107104800000000, 0.0031779200000000 ] - [ -0.0001311700000000, -0.0010861300000000, 0.0000830500000000 ] - [ -0.0024898900000000, -0.0107219700000000, 0.0029925400000000 ] - [ -0.0000650500000000, -0.0009797500000000, -0.0000875400000000 ] - [ 0.0012143200000000, 0.0026011900000000, -0.0002916200000000 ] - [ -0.0008204900000000, 0.0002232500000000, 0.0001795700000000 ] - [ -0.0000959100000000, 0.0015607900000000, 0.0006994100000000 ] - [ 0.0003821800000000, 0.0007504100000000, 0.0007666500000000 ] - [ 0.0005407300000000, 0.0014417500000000, -0.0000641600000000 ] - [ -0.0001401700000000, 0.0001019200000000, -0.0002989000000000 ] - [ 0.0002277100000000, 0.0022418000000000, -0.0002251700000000 ] - [ 0.0000207500000000, 0.0012899500000000, -0.0002888200000000 ] - [ 0.0031505200000000, -0.0013148700000000, 0.0030840000000000 ] - [ -0.0005365700000000, -0.0006110600000000, 0.0001181900000000 ]- atom: 9 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ 0.0000408700000000, 0.0003557700000000, -0.0010738700000000 ] - [ -0.0002773400000000, 0.0003638400000000, -0.0002767100000000 ] - [ 0.0003414300000000, 0.0004385500000000, -0.0011176900000000 ] - [ -0.0035489700000000, -0.0031435700000000, -0.0006062400000000 ] - [ -0.0001945400000000, 0.0007600500000000, 0.0008896900000000 ] - [ 0.0000908800000000, 0.0007439600000000, -0.0000554500000000 ] - [ -0.0001792700000000, 0.0003127900000000, 0.0002878000000000 ] - [ -0.0002378200000000, 0.0003033200000000, 0.0003346700000000 ] - [ 0.0234683900000000, -0.0023561300000000, -0.0830786500000000 ] - [ -0.0008775100000000, -0.0000187900000000, 0.0002847600000000 ] - [ 0.0005132900000000, 0.0000281600000000, -0.0002836200000000 ] - [ 0.0005410300000000, 0.0000101900000000, -0.0003445900000000 ] - [ 0.0003856000000000, 0.0006843300000000, -0.0014960300000000 ] - [ -0.0027086700000000, 0.0023704300000000, -0.0004199600000000 ] - [ -0.0078788400000000, -0.0008555600000000, 0.0294334300000000 ] - [ 0.0006210400000000, 0.0002815000000000, -0.0002337300000000 ] - [ -0.0004940500000000, 0.0004452300000000, 0.0012878500000000 ] - [ -0.0000021300000000, 0.0003952500000000, 0.0001529200000000 ] - [ 0.0000853800000000, 0.0005078200000000, -0.0013985500000000 ] - [ -0.0002431200000000, 0.0004960600000000, -0.0002698600000000 ] - [ -0.0001245900000000, 0.0002904900000000, 0.0016946000000000 ] - [ 0.0049499600000000, -0.0027086300000000, 0.0016816900000000 ] - [ -0.0001608300000000, 0.0005125600000000, 0.0017000400000000 ] - [ 0.0038272200000000, 0.0033255500000000, 0.0015514700000000 ] - [ -0.0001507300000000, 0.0000753900000000, -0.0000888900000000 ] - [ -0.0001538200000000, 0.0000400100000000, -0.0001003800000000 ] - [ 0.0002801500000000, 0.0000547600000000, 0.0000408700000000 ] - [ 0.0005442400000000, -0.0003155400000000, -0.0001278400000000 ] - [ -0.0003847500000000, -0.0007073600000000, 0.0001308500000000 ] - [ -0.0003924700000000, -0.0006940100000000, 0.0001334300000000 ] - [ 0.0079965900000000, 0.0003277000000000, 0.0022747400000000 ] - [ -0.0002865700000000, -0.0007061400000000, 0.0014836500000000 ] - [ 0.0005662500000000, -0.0009270900000000, 0.0003603600000000 ] - [ 0.0007553900000000, -0.0007275600000000, 0.0002272600000000 ] - [ 0.0022871200000000, -0.0111700800000000, 0.0035198700000000 ] - [ -0.0008599000000000, -0.0000699100000000, 0.0006260700000000 ] - [ -0.0046029000000000, -0.0102339300000000, 0.0001102600000000 ] - [ -0.0004362600000000, -0.0003664500000000, -0.0002378600000000 ] - [ 0.0005379500000000, -0.0007247000000000, -0.0000756100000000 ] - [ 0.0001853000000000, -0.0003135800000000, 0.0002184800000000 ] - [ 0.0010474000000000, 0.0002274800000000, -0.0004652900000000 ] - [ 0.0008452500000000, -0.0001373400000000, -0.0003928400000000 ] - [ -0.0079065300000000, -0.0011588500000000, -0.0016060800000000 ] - [ 0.0003384300000000, -0.0001226500000000, -0.0021109800000000 ] - [ 0.0031266800000000, 0.0105484300000000, 0.0020185500000000 ] - [ -0.0002546100000000, -0.0003710200000000, 0.0001658300000000 ] - [ -0.0047775900000000, 0.0110283100000000, 0.0013340400000000 ] - [ -0.0006599500000000, -0.0007036600000000, -0.0004461000000000 ] - [ -0.0004226200000000, -0.0000564700000000, -0.0000446900000000 ] - [ -0.0007782300000000, -0.0000196700000000, 0.0007148700000000 ] - [ -0.0001468800000000, -0.0000023800000000, 0.0001364000000000 ] - [ -0.0001685300000000, -0.0000165700000000, 0.0001509700000000 ] - [ 0.0001165100000000, 0.0002441600000000, -0.0000194900000000 ] - [ 0.0001134600000000, 0.0001798200000000, -0.0000032200000000 ] - [ -0.0002860100000000, -0.0008140100000000, 0.0003171500000000 ] - [ 0.0001411700000000, -0.0005075400000000, -0.0002287700000000 ] - [ -0.0068415000000000, 0.0097570100000000, 0.0173715200000000 ] - [ -0.0002426200000000, -0.0002173300000000, -0.0000817200000000 ] - [ 0.0003306800000000, -0.0001363600000000, -0.0007089100000000 ] - [ 0.0003050300000000, -0.0001317200000000, -0.0006413900000000 ] - [ -0.0001080600000000, -0.0003571700000000, 0.0001434400000000 ] - [ 0.0000082700000000, -0.0004316300000000, 0.0000136300000000 ] - [ -0.0001654500000000, 0.0001335500000000, 0.0004106900000000 ] - [ 0.0001674000000000, 0.0006312900000000, 0.0002709500000000 ] - [ -0.0004140500000000, -0.0005534100000000, -0.0003847200000000 ] - [ -0.0004280500000000, -0.0006392000000000, -0.0003711000000000 ] - [ 0.0003098500000000, 0.0023664200000000, 0.0001281300000000 ] - [ 0.0005600500000000, 0.0000316200000000, 0.0000504700000000 ] - [ 0.0038621000000000, -0.0021106200000000, -0.0014786700000000 ] - [ 0.0000794500000000, -0.0000398400000000, 0.0000261100000000 ] - [ -0.0010214600000000, 0.0008019000000000, 0.0045410700000000 ] - [ -0.0003362000000000, 0.0001772400000000, 0.0001189100000000 ] - [ -0.0004363300000000, 0.0013201500000000, -0.0001320000000000 ] - [ 0.0000838600000000, 0.0001163400000000, -0.0002961400000000 ] - [ -0.0002760900000000, 0.0003216100000000, -0.0004389800000000 ] - [ -0.0002102600000000, 0.0001436800000000, -0.0004795200000000 ] - [ 0.0009519900000000, -0.0011209600000000, -0.0003487600000000 ] - [ 0.0000960200000000, -0.0001842500000000, 0.0000318400000000 ] - [ 0.0012158300000000, -0.0003153200000000, -0.0045143100000000 ] - [ -0.0000156900000000, -0.0003290600000000, -0.0000180500000000 ] - [ -0.0004076900000000, -0.0001123400000000, 0.0000034500000000 ] - [ -0.0003586900000000, -0.0000580000000000, -0.0000454300000000 ] - [ -0.0006772300000000, -0.0003187000000000, 0.0001367400000000 ] - [ -0.0007264900000000, -0.0002519500000000, 0.0002773100000000 ] - [ -0.0000608400000000, 0.0000221000000000, -0.0000525800000000 ] - [ -0.0000216200000000, 0.0000769000000000, -0.0000711700000000 ] - [ 0.0017623700000000, -0.0013334500000000, 0.0009360000000000 ] - [ 0.0001329200000000, -0.0004998700000000, 0.0028132300000000 ] - [ -0.0001063500000000, 0.0004640200000000, -0.0001647400000000 ] - [ -0.0001119300000000, 0.0005412500000000, -0.0001487600000000 ] - [ 0.0004516900000000, -0.0021203900000000, -0.0000150700000000 ] - [ -0.0000968400000000, 0.0001596500000000, -0.0002252800000000 ] - [ -0.0006027000000000, 0.0001565500000000, -0.0001512500000000 ] - [ -0.0006973000000000, 0.0000697800000000, 0.0000486600000000 ] - [ -0.0007098900000000, 0.0001652700000000, -0.0000183100000000 ] - [ 0.0013210200000000, 0.0000163500000000, -0.0029910900000000 ] - [ -0.0012515300000000, 0.0003192600000000, 0.0071912400000000 ] - [ 0.0007424600000000, 0.0001624100000000, -0.0000474800000000 ] - [ -0.0015930000000000, -0.0000129100000000, 0.0062104700000000 ] - [ 0.0002855700000000, -0.0001841300000000, 0.0007107300000000 ] - [ -0.0037665700000000, 0.0031926700000000, -0.0049044700000000 ] - [ 0.0000008000000000, 0.0000380300000000, -0.0001714900000000 ] - [ -0.0010134000000000, 0.0008830400000000, -0.0000073100000000 ] - [ 0.0009878300000000, 0.0006149700000000, -0.0020707200000000 ] - [ 0.0004037800000000, 0.0002031800000000, -0.0002355500000000 ] - [ 0.0003789100000000, 0.0001922200000000, -0.0001715100000000 ] - [ 0.0027154200000000, 0.0019370800000000, -0.0005623300000000 ] - [ -0.0001301400000000, -0.0000340200000000, -0.0001782900000000 ] - [ 0.0001717500000000, -0.0001994600000000, 0.0001171000000000 ] - [ 0.0002101000000000, -0.0002061200000000, 0.0000649300000000 ] - [ 0.0002397100000000, 0.0007441300000000, 0.0002710600000000 ] - [ -0.0001739500000000, 0.0006367600000000, 0.0008917200000000 ] - [ -0.0011315300000000, -0.0006656000000000, 0.0068632500000000 ] - [ 0.0008141800000000, -0.0002974100000000, -0.0002573600000000 ] - [ 0.0002181300000000, -0.0002404000000000, -0.0001086600000000 ] - [ 0.0001743000000000, -0.0001962600000000, -0.0000592200000000 ] - [ -0.0003705200000000, -0.0005268000000000, 0.0002857300000000 ] - [ -0.0003454900000000, -0.0005248800000000, 0.0002212100000000 ] - [ 0.0009740500000000, -0.0005235600000000, -0.0025129700000000 ] - [ -0.0010673800000000, -0.0003146300000000, -0.0007286700000000 ] - [ -0.0001044200000000, 0.0012967600000000, -0.0004965300000000 ] - [ 0.0000173900000000, -0.0006259200000000, -0.0003622600000000 ] - [ 0.0005496700000000, 0.0007080200000000, 0.0004983600000000 ] - [ -0.0015227400000000, 0.0006106400000000, 0.0059004800000000 ] - [ -0.0003539300000000, -0.0003655700000000, 0.0000135100000000 ] - [ -0.0001247200000000, 0.0002201100000000, -0.0001683300000000 ] - [ -0.0000625800000000, 0.0001972900000000, 0.0002423700000000 ] - [ 0.0002604900000000, 0.0001315700000000, -0.0004560500000000 ] - [ 0.0001373700000000, -0.0013046400000000, -0.0002384600000000 ] - [ -0.0000194300000000, 0.0005376400000000, -0.0002228400000000 ] - [ -0.0011626300000000, -0.0040511900000000, 0.0093367800000000 ] - [ -0.0002007100000000, -0.0001973000000000, 0.0000566000000000 ] - [ -0.0043733800000000, -0.0036236300000000, 0.0073053500000000 ] - [ 0.0003861300000000, -0.0000667300000000, 0.0001280200000000 ] - [ -0.0002433800000000, 0.0003617600000000, 0.0004871200000000 ] - [ -0.0003538300000000, -0.0001082500000000, 0.0002775100000000 ] - [ 0.0001186000000000, -0.0001536600000000, 0.0006960800000000 ] - [ 0.0001110300000000, 0.0000310900000000, 0.0007146500000000 ] - [ 0.0009303300000000, -0.0000643700000000, -0.0031708600000000 ] - [ 0.0000330300000000, 0.0001706800000000, -0.0001795300000000 ] - [ -0.0000299800000000, 0.0005555500000000, -0.0002870400000000 ] - [ -0.0000190100000000, 0.0006051300000000, -0.0002877000000000 ] - [ -0.0024818200000000, -0.0016137400000000, -0.0007669000000000 ] - [ 0.0003189500000000, 0.0001373600000000, -0.0000355000000000 ]- atom: 9 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0004459400000000, 0.0002872300000000, 0.0005616700000000 ] - [ -0.0001308300000000, 0.0002749600000000, -0.0002360100000000 ] - [ -0.0001394000000000, 0.0003135500000000, 0.0008514200000000 ] - [ 0.0037563300000000, 0.0038839500000000, 0.0003266600000000 ] - [ 0.0002572000000000, 0.0006894800000000, -0.0010323100000000 ] - [ -0.0000288400000000, 0.0007112900000000, -0.0000876600000000 ] - [ -0.0002304300000000, 0.0002758900000000, 0.0004056100000000 ] - [ -0.0001714600000000, 0.0002857500000000, 0.0003580100000000 ] - [ -0.0239541300000000, 0.0019903700000000, 0.0835008600000000 ] - [ -0.0001711700000000, 0.0000237400000000, 0.0004173800000000 ] - [ 0.0005353900000000, -0.0000228800000000, -0.0004184000000000 ] - [ 0.0005069800000000, -0.0000048400000000, -0.0003569400000000 ] - [ -0.0004625000000000, 0.0007574300000000, 0.0016354800000000 ] - [ 0.0026446400000000, -0.0009158600000000, 0.0005318900000000 ] - [ 0.0082386400000000, 0.0013872800000000, -0.0301254100000000 ] - [ -0.0002119700000000, 0.0003075000000000, -0.0004607800000000 ] - [ 0.0002814200000000, 0.0003116100000000, -0.0010243000000000 ] - [ -0.0002090200000000, 0.0003530400000000, 0.0001103200000000 ] - [ -0.0004571600000000, 0.0005069600000000, 0.0008834700000000 ] - [ -0.0001336200000000, 0.0005271700000000, -0.0002466300000000 ] - [ 0.0005414200000000, 0.0003529800000000, -0.0011788500000000 ] - [ -0.0045723200000000, 0.0033595000000000, -0.0011393200000000 ] - [ 0.0005433200000000, 0.0005051800000000, -0.0011811300000000 ] - [ -0.0034605900000000, -0.0023084000000000, -0.0010232700000000 ] - [ -0.0001512000000000, -0.0000002600000000, -0.0000957700000000 ] - [ -0.0001490100000000, 0.0000344300000000, -0.0000849000000000 ] - [ 0.0006979900000000, -0.0007630900000000, 0.0003047600000000 ] - [ 0.0004321200000000, -0.0003940900000000, 0.0004717800000000 ] - [ -0.0003859300000000, -0.0006858000000000, 0.0001257200000000 ] - [ -0.0003798500000000, -0.0006992700000000, 0.0001233500000000 ] - [ -0.0071722100000000, -0.0017153200000000, -0.0025726200000000 ] - [ 0.0010410100000000, -0.0006883900000000, -0.0017499900000000 ] - [ 0.0008379900000000, -0.0004449800000000, 0.0003585200000000 ] - [ 0.0006491100000000, -0.0006450400000000, 0.0004905200000000 ] - [ -0.0039794600000000, 0.0109524300000000, -0.0025165000000000 ] - [ -0.0008665200000000, -0.0000874000000000, 0.0004253200000000 ] - [ 0.0036388000000000, 0.0095809700000000, -0.0003958500000000 ] - [ -0.0005379900000000, -0.0003450900000000, -0.0001008500000000 ] - [ 0.0000541400000000, 0.0000418100000000, -0.0000676400000000 ] - [ 0.0004053100000000, -0.0003705600000000, -0.0003592300000000 ] - [ 0.0006787000000000, -0.0003912800000000, -0.0005958400000000 ] - [ 0.0008795200000000, -0.0000264000000000, -0.0006667900000000 ] - [ 0.0082310000000000, 0.0012443800000000, 0.0018549300000000 ] - [ -0.0000055900000000, 0.0002102200000000, 0.0023176600000000 ] - [ -0.0036832400000000, -0.0111641600000000, -0.0019082900000000 ] - [ -0.0003438800000000, -0.0003163800000000, -0.0000166500000000 ] - [ 0.0033755400000000, -0.0124665600000000, -0.0020048000000000 ] - [ -0.0007432300000000, -0.0006662300000000, -0.0002801400000000 ] - [ -0.0006961000000000, 0.0001219200000000, -0.0001198600000000 ] - [ -0.0003416700000000, 0.0000841800000000, -0.0008787000000000 ] - [ -0.0001892200000000, -0.0000294300000000, 0.0001201600000000 ] - [ -0.0001672600000000, -0.0000151800000000, 0.0001059800000000 ] - [ 0.0001143200000000, 0.0001298100000000, -0.0000009200000000 ] - [ 0.0001181600000000, 0.0001941300000000, -0.0000174900000000 ] - [ 0.0002549700000000, -0.0004099400000000, 0.0004340800000000 ] - [ -0.0001687600000000, -0.0007172300000000, 0.0009794300000000 ] - [ 0.0060641700000000, -0.0094927900000000, -0.0165175100000000 ] - [ -0.0001480600000000, -0.0002177700000000, -0.0001658000000000 ] - [ 0.0002941700000000, -0.0001191800000000, -0.0005694700000000 ] - [ 0.0003204200000000, -0.0001239000000000, -0.0006367100000000 ] - [ -0.0000189900000000, -0.0003393300000000, -0.0001410600000000 ] - [ -0.0001353700000000, -0.0002655500000000, -0.0000106700000000 ] - [ -0.0000380400000000, 0.0001591000000000, -0.0000720500000000 ] - [ -0.0003724200000000, -0.0003361000000000, 0.0000680100000000 ] - [ -0.0004421600000000, -0.0007154700000000, -0.0003379200000000 ] - [ -0.0004278400000000, -0.0006291000000000, -0.0003505800000000 ] - [ 0.0008108000000000, -0.0023103500000000, 0.0000267400000000 ] - [ 0.0005577100000000, 0.0000333000000000, 0.0001126000000000 ] - [ -0.0033877100000000, 0.0020249100000000, 0.0010134900000000 ] - [ 0.0002543800000000, 0.0000079400000000, -0.0002844800000000 ] - [ 0.0001565100000000, -0.0007396100000000, -0.0044422100000000 ] - [ -0.0004503100000000, 0.0001739200000000, 0.0003510400000000 ] - [ 0.0006973700000000, -0.0008943600000000, 0.0004079600000000 ] - [ 0.0001819500000000, 0.0003059400000000, 0.0005651000000000 ] - [ -0.0002028700000000, -0.0000312900000000, -0.0004626500000000 ] - [ -0.0002677500000000, 0.0001471000000000, -0.0004227100000000 ] - [ -0.0002556000000000, 0.0009134700000000, -0.0001335400000000 ] - [ 0.0005998600000000, -0.0000287900000000, -0.0005074600000000 ] - [ -0.0010887800000000, -0.0003569300000000, 0.0045129800000000 ] - [ 0.0001431600000000, -0.0003681200000000, 0.0000157100000000 ] - [ -0.0003630400000000, -0.0000281000000000, 0.0000195100000000 ] - [ -0.0004111000000000, -0.0000830800000000, 0.0000676200000000 ] - [ -0.0007233000000000, -0.0002760400000000, 0.0004268600000000 ] - [ -0.0006730900000000, -0.0003419000000000, 0.0002860500000000 ] - [ -0.0000074200000000, 0.0001319200000000, -0.0000542500000000 ] - [ -0.0000460500000000, 0.0000770600000000, -0.0000357800000000 ] - [ -0.0009076600000000, 0.0000665100000000, -0.0002247600000000 ] - [ 0.0007125200000000, -0.0007818100000000, -0.0020924200000000 ] - [ -0.0001073400000000, 0.0006259300000000, -0.0001493900000000 ] - [ -0.0001007200000000, 0.0005494500000000, -0.0001662500000000 ] - [ -0.0006146800000000, 0.0024188500000000, -0.0004984100000000 ] - [ -0.0000637900000000, 0.0001493800000000, -0.0002978100000000 ] - [ -0.0007269200000000, 0.0001920200000000, 0.0002648800000000 ] - [ -0.0006316500000000, 0.0002785300000000, 0.0000638600000000 ] - [ 0.0004772000000000, 0.0002108800000000, 0.0000464000000000 ] - [ -0.0015250500000000, 0.0003430000000000, 0.0030171400000000 ] - [ 0.0025814600000000, 0.0000728400000000, -0.0072989300000000 ] - [ 0.0005864200000000, 0.0001859500000000, -0.0000652400000000 ] - [ 0.0010077800000000, -0.0002411500000000, -0.0049232600000000 ] - [ -0.0009137600000000, -0.0000726000000000, 0.0005778700000000 ] - [ 0.0038000500000000, -0.0030369100000000, 0.0051075900000000 ] - [ 0.0000701300000000, 0.0001152900000000, 0.0002798500000000 ] - [ 0.0012210300000000, 0.0002075500000000, 0.0003284000000000 ] - [ -0.0007611400000000, 0.0004872700000000, 0.0023897700000000 ] - [ 0.0003827900000000, 0.0001472900000000, -0.0002353000000000 ] - [ 0.0004069700000000, 0.0001588600000000, -0.0002994800000000 ] - [ -0.0029300200000000, -0.0018842800000000, -0.0008072700000000 ] - [ -0.0000795900000000, 0.0001039700000000, -0.0011769800000000 ] - [ 0.0002204300000000, -0.0002363000000000, 0.0001312700000000 ] - [ 0.0001821700000000, -0.0002292300000000, 0.0001831400000000 ] - [ -0.0002027700000000, 0.0003517000000000, 0.0001482400000000 ] - [ 0.0002100700000000, 0.0004633500000000, -0.0004717800000000 ] - [ 0.0025436500000000, 0.0000337800000000, -0.0074252500000000 ] - [ 0.0005857400000000, -0.0002961700000000, -0.0003054500000000 ] - [ 0.0001776400000000, -0.0001618000000000, -0.0001206700000000 ] - [ 0.0002211400000000, -0.0002060700000000, -0.0001698100000000 ] - [ -0.0003376000000000, -0.0005117600000000, 0.0001517100000000 ] - [ -0.0003621600000000, -0.0005135400000000, 0.0002163700000000 ] - [ -0.0002776000000000, -0.0005163200000000, 0.0020719900000000 ] - [ 0.0017867800000000, -0.0007244100000000, 0.0002778200000000 ] - [ 0.0001314500000000, -0.0025176000000000, -0.0002468500000000 ] - [ 0.0000143200000000, -0.0005974200000000, -0.0003871000000000 ] - [ -0.0005050000000000, 0.0005169100000000, 0.0000542600000000 ] - [ 0.0015509600000000, 0.0006282500000000, -0.0053415800000000 ] - [ 0.0000898100000000, 0.0007886600000000, -0.0002753500000000 ] - [ -0.0001362300000000, 0.0002005100000000, -0.0001009100000000 ] - [ 0.0002239200000000, 0.0001107800000000, 0.0002823900000000 ] - [ -0.0000982100000000, 0.0001780800000000, 0.0009799400000000 ] - [ -0.0001744600000000, 0.0024036400000000, -0.0001905000000000 ] - [ -0.0000175100000000, 0.0005597400000000, -0.0001983500000000 ] - [ 0.0007977100000000, 0.0041150400000000, -0.0098526600000000 ] - [ -0.0001971000000000, -0.0002046600000000, 0.0001717600000000 ] - [ 0.0048170300000000, 0.0030836300000000, -0.0069641500000000 ] - [ 0.0003871000000000, -0.0000735800000000, -0.0001496700000000 ] - [ -0.0004502500000000, -0.0005695300000000, -0.0000203600000000 ] - [ -0.0003431300000000, -0.0001025600000000, 0.0001969800000000 ] - [ 0.0000824300000000, 0.0002185400000000, 0.0006531900000000 ] - [ 0.0000902100000000, 0.0000340500000000, 0.0006356300000000 ] - [ -0.0007257200000000, 0.0003452700000000, 0.0028314000000000 ] - [ 0.0001725400000000, 0.0001245000000000, -0.0001592400000000 ] - [ -0.0000124100000000, 0.0006675400000000, -0.0002731100000000 ] - [ -0.0000229200000000, 0.0006183200000000, -0.0002714900000000 ] - [ 0.0029358600000000, 0.0018907100000000, 0.0016782500000000 ] - [ 0.0001640200000000, 0.0001491600000000, 0.0009397500000000 ]- atom: 19 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0024895500000000, 0.0003184100000000, -0.0005388000000000 ] - [ 0.0012392400000000, 0.0003114300000000, 0.0000386700000000 ] - [ 0.0005599400000000, 0.0003211500000000, 0.0000196500000000 ] - [ -0.0003667300000000, 0.0001499400000000, -0.0002970500000000 ] - [ -0.0014070700000000, 0.0007753500000000, -0.0007534900000000 ] - [ 0.0012964600000000, 0.0005286400000000, 0.0003438400000000 ] - [ 0.0031300900000000, 0.0031832700000000, 0.0016361500000000 ] - [ 0.0027154400000000, -0.0070129400000000, -0.0044852400000000 ] - [ -0.0027024800000000, -0.0011092700000000, 0.0000537000000000 ] - [ 0.0008831100000000, 0.0000839700000000, 0.0006683600000000 ] - [ 0.0023202600000000, 0.0022404600000000, -0.0002422700000000 ] - [ 0.0004102800000000, -0.0049859700000000, 0.0033807000000000 ] - [ 0.0033509400000000, -0.0024946800000000, 0.0016675900000000 ] - [ 0.0030910600000000, 0.0067720700000000, -0.0029532100000000 ] - [ -0.0012141200000000, 0.0003052700000000, -0.0009330600000000 ] - [ 0.0014140400000000, 0.0000729600000000, 0.0000107600000000 ] - [ -0.0072162700000000, 0.0006249800000000, -0.0106753500000000 ] - [ 0.0035890200000000, 0.0002990700000000, 0.0016026300000000 ] - [ -0.0546591900000000, 0.0155058600000000, 0.0090412200000000 ] - [ 0.0040932900000000, 0.0003721200000000, 0.0003774500000000 ] - [ 0.0024098800000000, -0.0011962300000000, 0.0004370000000000 ] - [ -0.0021742300000000, 0.0047247100000000, 0.0029744700000000 ] - [ 0.0005742200000000, 0.0003770400000000, 0.0003307200000000 ] - [ -0.0002337100000000, 0.0004012300000000, 0.0001858000000000 ] - [ -0.0024857700000000, 0.0063063300000000, -0.0029667100000000 ] - [ 0.0026400000000000, -0.0007831100000000, 0.0006497400000000 ] - [ 0.0004959700000000, 0.0005338600000000, 0.0001603400000000 ] - [ 0.0009929800000000, -0.0016308200000000, 0.0002656400000000 ] - [ -0.0060902200000000, 0.0001322700000000, 0.0004988400000000 ] - [ 0.0019158000000000, -0.0011358300000000, 0.0008125600000000 ] - [ 0.0005253700000000, -0.0019848400000000, 0.0000321700000000 ] - [ 0.0006687100000000, 0.0002985600000000, -0.0001082400000000 ] - [ 0.0107778100000000, 0.0018330400000000, -0.0016228800000000 ] - [ 0.0135472500000000, -0.0012005800000000, 0.0040984800000000 ] - [ -0.0014870200000000, -0.0002802800000000, 0.0003988600000000 ] - [ -0.0002483000000000, -0.0000939000000000, 0.0006803400000000 ] - [ -0.0037530000000000, -0.0099788200000000, -0.0064056000000000 ] - [ 0.0022851600000000, 0.0005305000000000, 0.0006905800000000 ] - [ 0.0002000100000000, 0.0004945900000000, -0.0000942700000000 ] - [ 0.0006551300000000, -0.0014666300000000, 0.0000920600000000 ] - [ 0.0053029300000000, 0.0011455800000000, 0.0045311600000000 ] - [ 0.0027179100000000, 0.0000775700000000, -0.0009502800000000 ] - [ 0.0004499900000000, -0.0014631300000000, 0.0000866300000000 ] - [ 0.0004450000000000, 0.0013669500000000, 0.0002099200000000 ] - [ -0.0079785300000000, -0.0040805700000000, 0.0012882900000000 ] - [ 0.0018555700000000, 0.0000702700000000, 0.0005889100000000 ] - [ -0.0013074500000000, -0.0009009300000000, -0.0005604300000000 ] - [ -0.0000819700000000, -0.0007002200000000, -0.0001946200000000 ] - [ -0.0008712100000000, -0.0000975300000000, -0.0001611200000000 ] - [ -0.0001660500000000, 0.0003798700000000, 0.0000076200000000 ] - [ -0.0022176800000000, -0.0033661800000000, 0.0011456500000000 ] - [ -0.0031939500000000, 0.0017916100000000, -0.0005848200000000 ] - [ 0.0017756400000000, 0.0013472700000000, 0.0005385100000000 ] - [ -0.0010176500000000, -0.0001875500000000, -0.0003888400000000 ] - [ -0.0017627800000000, 0.0001199600000000, -0.0006528500000000 ] - [ 0.0005418000000000, -0.0012978500000000, 0.0012168900000000 ] - [ 0.0013238500000000, -0.0002610000000000, -0.0000589300000000 ] - [ -0.0009310300000000, -0.0003325900000000, -0.0002641600000000 ] - [ 0.0013456700000000, -0.0009753400000000, 0.0004716200000000 ] - [ -0.0008356200000000, 0.0003473500000000, -0.0011357400000000 ] - [ -0.0040060300000000, -0.0012575300000000, -0.0018259500000000 ] - [ -0.0042425500000000, -0.0001287300000000, 0.0025603600000000 ] - [ -0.0001218000000000, -0.0001919600000000, 0.0001399500000000 ] - [ -0.0001973200000000, 0.0006429200000000, 0.0001924900000000 ] - [ 0.0066316000000000, 0.0025157800000000, -0.0036818900000000 ] - [ -0.0018772600000000, -0.0008819700000000, -0.0008475000000000 ] - [ 0.0070896200000000, 0.0012848400000000, 0.0028950100000000 ] - [ -0.0011333800000000, -0.0000759500000000, -0.0003771600000000 ] - [ 0.0006190800000000, 0.0004477600000000, 0.0000962700000000 ] - [ -0.0003192700000000, -0.0002905900000000, -0.0003113300000000 ] - [ 0.0001096300000000, 0.0003001800000000, 0.0004416300000000 ] - [ -0.0008202300000000, 0.0002001800000000, 0.0001012500000000 ] - [ 0.0002615500000000, 0.0001158600000000, 0.0001659800000000 ] - [ -0.0000428500000000, 0.0004197400000000, 0.0000790600000000 ] - [ 0.0004896000000000, -0.0003800600000000, -0.0003620300000000 ] - [ -0.0009270000000000, 0.0004337400000000, -0.0006959900000000 ] - [ 0.0004973900000000, -0.0002294400000000, -0.0001850600000000 ] - [ 0.0001327600000000, 0.0001279200000000, -0.0002904200000000 ] - [ 0.0003465400000000, -0.0002867800000000, 0.0000969400000000 ] - [ -0.0002207600000000, -0.0002915200000000, -0.0000902000000000 ] - [ -0.0020489400000000, -0.0004509500000000, -0.0008084500000000 ] - [ 0.0009398200000000, 0.0001148900000000, 0.0008102200000000 ] - [ -0.0019956000000000, -0.0012940200000000, 0.0008090600000000 ] - [ -0.0023965100000000, -0.0000968700000000, -0.0022299500000000 ] - [ 0.0001611200000000, -0.0028004700000000, -0.0020193300000000 ] - [ -0.0014909000000000, 0.0008799400000000, -0.0001222200000000 ] - [ 0.0002698200000000, -0.0003047500000000, 0.0003128900000000 ] - [ 0.0005314800000000, -0.0009125600000000, 0.0004009300000000 ] - [ 0.0068531700000000, -0.0007427000000000, -0.0006342100000000 ] - [ -0.0016991400000000, 0.0004067900000000, -0.0005537300000000 ] - [ 0.0078984300000000, 0.0019031500000000, -0.0009242200000000 ] - [ -0.0019390800000000, 0.0001283000000000, -0.0007749100000000 ] - [ -0.0005827000000000, -0.0003284800000000, 0.0001064200000000 ] - [ -0.0009598200000000, 0.0010007000000000, -0.0000721500000000 ] - [ -0.0008514400000000, 0.0009387000000000, -0.0003847500000000 ] - [ 0.0005750300000000, -0.0009858800000000, 0.0004981000000000 ] - [ 0.0031272900000000, 0.0048985800000000, -0.0007184700000000 ] - [ -0.0004468000000000, -0.0002131600000000, -0.0001539800000000 ] - [ -0.0003090000000000, 0.0006984400000000, 0.0005436600000000 ] - [ -0.0007475000000000, -0.0008138300000000, 0.0006459500000000 ] - [ 0.0004849700000000, 0.0004227700000000, 0.0000952200000000 ] - [ -0.0004000100000000, -0.0001266900000000, -0.0000218700000000 ] - [ -0.0001560600000000, 0.0008308400000000, 0.0000902700000000 ] - [ 0.0003563600000000, 0.0003229600000000, 0.0002193200000000 ] - [ -0.0018419300000000, -0.0002310100000000, -0.0004409200000000 ] - [ 0.0152176100000000, -0.0068314700000000, 0.0037620100000000 ] - [ -0.0008985500000000, 0.0021021900000000, -0.0002968500000000 ] - [ -0.0011386300000000, -0.0013355400000000, -0.0010889500000000 ] - [ -0.0000871400000000, -0.0012153900000000, -0.0000635500000000 ] - [ 0.0000892900000000, 0.0013542800000000, 0.0004092000000000 ] - [ -0.0027437500000000, 0.0016754200000000, 0.0002281600000000 ] - [ -0.0041708700000000, -0.0060060200000000, -0.0024628600000000 ] - [ 0.0009462100000000, -0.0001694500000000, -0.0002383200000000 ] - [ 0.0004287300000000, -0.0002834600000000, -0.0003415900000000 ] - [ -0.0004808400000000, -0.0011570100000000, -0.0001909600000000 ] - [ 0.0004276400000000, 0.0019410300000000, -0.0001946600000000 ] - [ 0.0033956800000000, -0.0030872100000000, -0.0003838200000000 ] - [ -0.0014662000000000, -0.0002886500000000, 0.0001096700000000 ] - [ 0.0001953000000000, 0.0001153800000000, -0.0001856600000000 ] - [ 0.0002868200000000, -0.0012180600000000, -0.0003381800000000 ] - [ 0.0004427700000000, -0.0005313400000000, -0.0002643400000000 ] - [ -0.0003550800000000, -0.0005757500000000, -0.0004962200000000 ] - [ -0.0009332500000000, 0.0013448800000000, 0.0001875000000000 ] - [ 0.0009575200000000, -0.0010021000000000, 0.0002593900000000 ] - [ 0.0067451300000000, 0.0001636200000000, 0.0015960100000000 ] - [ -0.0020012900000000, -0.0003418900000000, -0.0005601800000000 ] - [ -0.0002868000000000, 0.0000315500000000, 0.0001587300000000 ] - [ 0.0004738400000000, 0.0004320100000000, 0.0003816700000000 ] - [ 0.0003713700000000, 0.0005909900000000, -0.0001110500000000 ] - [ -0.0003770300000000, 0.0005871000000000, -0.0002756700000000 ] - [ 0.0015183300000000, 0.0003606900000000, 0.0008827400000000 ] - [ -0.0011967300000000, -0.0002232600000000, -0.0001880000000000 ] - [ 0.0009022900000000, 0.0000523700000000, 0.0000312400000000 ] - [ -0.0000279800000000, -0.0000602400000000, -0.0000907700000000 ] - [ 0.0052874400000000, 0.0005986800000000, 0.0005332200000000 ] - [ -0.0034550700000000, -0.0007419500000000, -0.0002365700000000 ] - [ 0.0006963400000000, -0.0008184500000000, 0.0009058700000000 ] - [ -0.0006793100000000, 0.0004886200000000, 0.0005253400000000 ] - [ 0.0023082700000000, 0.0009944000000000, 0.0018661800000000 ] - [ -0.0010518600000000, 0.0001135500000000, -0.0007061200000000 ] - [ 0.0019604000000000, 0.0005221300000000, 0.0001221200000000 ] - [ -0.0011440600000000, 0.0004364300000000, -0.0005381300000000 ] - [ 0.0000573000000000, 0.0015678000000000, -0.0000690000000000 ] - [ -0.0004634600000000, -0.0004317800000000, 0.0003825500000000 ]- atom: 19 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0020881200000000, 0.0003068400000000, 0.0000281600000000 ] - [ -0.0016481100000000, 0.0003326000000000, -0.0005519600000000 ] - [ -0.0003522100000000, 0.0004270800000000, -0.0002840000000000 ] - [ 0.0005814000000000, 0.0005981200000000, 0.0000343600000000 ] - [ 0.0014694800000000, 0.0006732200000000, 0.0006109700000000 ] - [ -0.0012341300000000, 0.0009304300000000, -0.0004866000000000 ] - [ -0.0035370300000000, -0.0025743600000000, -0.0009353700000000 ] - [ -0.0031139300000000, 0.0076494200000000, 0.0052152100000000 ] - [ 0.0016542300000000, 0.0011229600000000, 0.0006484100000000 ] - [ -0.0019310600000000, -0.0000839600000000, 0.0000340800000000 ] - [ -0.0012771200000000, -0.0022278900000000, -0.0004674400000000 ] - [ 0.0006553800000000, 0.0050059000000000, -0.0040931400000000 ] - [ -0.0034151500000000, 0.0039287300000000, -0.0015170500000000 ] - [ -0.0031455300000000, -0.0053476000000000, 0.0031251300000000 ] - [ 0.0016247000000000, 0.0002901900000000, 0.0002397400000000 ] - [ -0.0010047800000000, 0.0005136200000000, -0.0007044700000000 ] - [ 0.0070165500000000, 0.0001318700000000, 0.0109565400000000 ] - [ -0.0038009400000000, 0.0004475800000000, -0.0013377800000000 ] - [ 0.0544852200000000, -0.0148293200000000, -0.0092918400000000 ] - [ -0.0044707500000000, 0.0006506100000000, -0.0008944200000000 ] - [ -0.0020072300000000, 0.0018285200000000, 0.0000696300000000 ] - [ 0.0026224100000000, -0.0040847700000000, -0.0024662700000000 ] - [ -0.0002004600000000, 0.0006455500000000, 0.0001846700000000 ] - [ 0.0006144200000000, 0.0006218300000000, 0.0003317200000000 ] - [ 0.0021369600000000, -0.0062399800000000, 0.0027759800000000 ] - [ -0.0029495900000000, 0.0008685000000000, -0.0008377500000000 ] - [ 0.0004749300000000, -0.0012396500000000, 0.0001825000000000 ] - [ -0.0000113800000000, 0.0009264400000000, 0.0000793900000000 ] - [ 0.0052909900000000, -0.0015634800000000, -0.0002669100000000 ] - [ -0.0026866900000000, -0.0002520200000000, -0.0005546800000000 ] - [ 0.0002432800000000, 0.0005916400000000, -0.0002942500000000 ] - [ 0.0001102000000000, -0.0016932000000000, -0.0001505200000000 ] - [ -0.0092940200000000, -0.0031956100000000, 0.0023039300000000 ] - [ -0.0122477600000000, -0.0001563800000000, -0.0034260800000000 ] - [ -0.0002391500000000, 0.0001231700000000, 0.0006529100000000 ] - [ -0.0014748300000000, -0.0000630400000000, 0.0003721300000000 ] - [ 0.0027144100000000, 0.0092339300000000, 0.0060393800000000 ] - [ -0.0032635600000000, -0.0012493100000000, -0.0010323800000000 ] - [ 0.0003848400000000, -0.0011775200000000, -0.0000477000000000 ] - [ -0.0000596700000000, 0.0007860500000000, -0.0002312600000000 ] - [ -0.0035996000000000, -0.0013197800000000, -0.0055570300000000 ] - [ -0.0009876900000000, -0.0002450000000000, -0.0000921600000000 ] - [ -0.0001516300000000, 0.0015449000000000, 0.0001043100000000 ] - [ -0.0001386300000000, -0.0012896400000000, -0.0000176300000000 ] - [ 0.0073537500000000, 0.0034342400000000, -0.0011676800000000 ] - [ -0.0024501400000000, -0.0007654900000000, -0.0004379000000000 ] - [ -0.0000991100000000, -0.0004688300000000, -0.0001675500000000 ] - [ -0.0013228600000000, -0.0006705300000000, -0.0005320400000000 ] - [ -0.0002468200000000, 0.0001623500000000, -0.0000009900000000 ] - [ -0.0009570500000000, -0.0003136000000000, -0.0001714400000000 ] - [ 0.0018775600000000, 0.0033023400000000, -0.0008725900000000 ] - [ 0.0028592900000000, -0.0018359700000000, 0.0008445000000000 ] - [ -0.0015533000000000, -0.0009641900000000, -0.0005606800000000 ] - [ 0.0012490900000000, 0.0005587700000000, 0.0003667100000000 ] - [ 0.0017387700000000, -0.0013384800000000, 0.0014000800000000 ] - [ -0.0005900000000000, 0.0000799300000000, -0.0004789900000000 ] - [ -0.0017151600000000, -0.0001830400000000, -0.0001869800000000 ] - [ 0.0005397500000000, -0.0001000200000000, 0.0000164200000000 ] - [ -0.0007086400000000, 0.0007255800000000, -0.0017447300000000 ] - [ 0.0014621100000000, -0.0006069700000000, -0.0001419300000000 ] - [ 0.0038477400000000, 0.0005557400000000, 0.0018066400000000 ] - [ 0.0041516700000000, -0.0005740500000000, -0.0025880100000000 ] - [ -0.0000827200000000, 0.0004888200000000, 0.0001980000000000 ] - [ -0.0000115400000000, -0.0003479700000000, 0.0001445900000000 ] - [ -0.0074880900000000, -0.0037333200000000, 0.0028803100000000 ] - [ 0.0010232500000000, -0.0003907200000000, 0.0001268000000000 ] - [ -0.0059422700000000, -0.0011725300000000, -0.0026601100000000 ] - [ 0.0022547700000000, 0.0001447400000000, 0.0005413800000000 ] - [ -0.0002801400000000, -0.0004815400000000, -0.0003524700000000 ] - [ 0.0006546200000000, 0.0002585800000000, 0.0000544000000000 ] - [ -0.0008953400000000, 0.0000475900000000, 0.0000284000000000 ] - [ 0.0000363500000000, 0.0001498900000000, 0.0003695300000000 ] - [ 0.0000049700000000, 0.0003058000000000, 0.0001021800000000 ] - [ 0.0003059300000000, 0.0000004900000000, 0.0001876700000000 ] - [ -0.0009622400000000, 0.0006773200000000, -0.0005382000000000 ] - [ 0.0004487800000000, -0.0001442300000000, -0.0002080300000000 ] - [ 0.0002005100000000, 0.0000182400000000, -0.0002881300000000 ] - [ 0.0005607700000000, -0.0003398000000000, -0.0001832300000000 ] - [ -0.0002165900000000, -0.0004110300000000, -0.0000987800000000 ] - [ 0.0003491700000000, -0.0004060100000000, 0.0000881400000000 ] - [ 0.0012802200000000, 0.0003057200000000, 0.0008272900000000 ] - [ -0.0017323500000000, -0.0002560500000000, -0.0007982800000000 ] - [ 0.0005967900000000, 0.0006982800000000, -0.0002303500000000 ] - [ 0.0009971100000000, -0.0005031900000000, 0.0028073800000000 ] - [ -0.0002078400000000, 0.0029415000000000, 0.0019044100000000 ] - [ 0.0014227300000000, -0.0007334900000000, 0.0000123300000000 ] - [ 0.0005870600000000, -0.0009655600000000, 0.0004088300000000 ] - [ 0.0003225300000000, -0.0003571900000000, 0.0003200200000000 ] - [ -0.0070656500000000, 0.0018780900000000, 0.0003660000000000 ] - [ 0.0014859800000000, 0.0006795900000000, 0.0002379700000000 ] - [ -0.0081198000000000, -0.0017111600000000, 0.0005110700000000 ] - [ 0.0017772200000000, 0.0001838100000000, 0.0002516200000000 ] - [ -0.0007438500000000, 0.0006777100000000, 0.0000081200000000 ] - [ -0.0003716300000000, -0.0006529600000000, 0.0001849200000000 ] - [ 0.0006217400000000, -0.0005615900000000, 0.0004054700000000 ] - [ -0.0008129100000000, 0.0013610900000000, -0.0004800700000000 ] - [ -0.0017618100000000, -0.0045579300000000, 0.0006017300000000 ] - [ 0.0017770200000000, 0.0005670500000000, 0.0000398000000000 ] - [ -0.0003133100000000, -0.0009549100000000, 0.0007347700000000 ] - [ 0.0001195900000000, 0.0005593400000000, 0.0006312100000000 ] - [ -0.0004148400000000, -0.0002723400000000, 0.0000127300000000 ] - [ 0.0004668400000000, 0.0002786800000000, 0.0001287200000000 ] - [ 0.0003693000000000, 0.0002581100000000, 0.0002247200000000 ] - [ -0.0001465000000000, 0.0007658100000000, 0.0000948300000000 ] - [ 0.0026237500000000, 0.0005758800000000, -0.0000264500000000 ] - [ -0.0151719800000000, 0.0077692300000000, -0.0045621400000000 ] - [ 0.0007015100000000, -0.0020295200000000, -0.0010520800000000 ] - [ 0.0009356600000000, 0.0014096800000000, -0.0002617000000000 ] - [ 0.0004820100000000, 0.0007762400000000, 0.0003099600000000 ] - [ 0.0002989300000000, -0.0017932400000000, -0.0001656500000000 ] - [ 0.0027740900000000, -0.0005701900000000, 0.0001971300000000 ] - [ 0.0041286200000000, 0.0071231200000000, 0.0028797000000000 ] - [ 0.0004560000000000, -0.0004270900000000, -0.0003244800000000 ] - [ 0.0009713700000000, -0.0003118700000000, -0.0002218900000000 ] - [ 0.0008758400000000, 0.0007518000000000, -0.0000360600000000 ] - [ -0.0000387400000000, -0.0023469000000000, -0.0000344100000000 ] - [ -0.0040851300000000, 0.0020871700000000, 0.0008205800000000 ] - [ 0.0007609200000000, -0.0007531200000000, 0.0003283000000000 ] - [ 0.0005131300000000, -0.0011524900000000, -0.0002512000000000 ] - [ 0.0004179500000000, 0.0001798600000000, -0.0001002300000000 ] - [ -0.0004115900000000, -0.0006889400000000, -0.0004858900000000 ] - [ 0.0003871700000000, -0.0006470600000000, -0.0002542800000000 ] - [ 0.0009754200000000, -0.0001181600000000, 0.0003719000000000 ] - [ -0.0009242200000000, 0.0022280900000000, 0.0002985000000000 ] - [ -0.0068565600000000, 0.0001726700000000, -0.0016404400000000 ] - [ 0.0017419300000000, 0.0007670500000000, 0.0002903800000000 ] - [ 0.0004492100000000, 0.0002764500000000, 0.0003642100000000 ] - [ -0.0003160500000000, -0.0001232400000000, 0.0001401300000000 ] - [ -0.0004073000000000, 0.0005089200000000, -0.0003095700000000 ] - [ 0.0003409900000000, 0.0005095200000000, -0.0001442700000000 ] - [ -0.0019127500000000, -0.0007736000000000, -0.0006562000000000 ] - [ 0.0008026400000000, -0.0001746900000000, 0.0004164400000000 ] - [ -0.0001309000000000, -0.0001960300000000, -0.0000531900000000 ] - [ 0.0008010000000000, -0.0000814000000000, 0.0000690200000000 ] - [ -0.0054280700000000, -0.0010086700000000, -0.0002888500000000 ] - [ 0.0027692200000000, 0.0005359700000000, 0.0007126800000000 ] - [ -0.0004875900000000, 0.0008881900000000, 0.0004456500000000 ] - [ 0.0008805700000000, -0.0004249900000000, 0.0008267300000000 ] - [ -0.0020896200000000, -0.0007019900000000, -0.0021918400000000 ] - [ 0.0012591100000000, 0.0001861800000000, 0.0003696200000000 ] - [ -0.0020089400000000, 0.0007096400000000, -0.0006848500000000 ] - [ 0.0011034000000000, 0.0007854500000000, -0.0000198200000000 ] - [ 0.0004270600000000, -0.0012806000000000, 0.0009751500000000 ] - [ 0.0009365600000000, 0.0007249500000000, 0.0005184500000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012955500000000, 0.0067659900000000, -0.0006088000000000 ] - [ -0.0002552000000000, 0.0012372800000000, -0.0002576300000000 ] - [ 0.0002612700000000, 0.0024511300000000, -0.0001203000000000 ] - [ 0.0001274200000000, 0.0034251200000000, -0.0000754000000000 ] - [ 0.0000838400000000, 0.0044203800000000, -0.0000409000000000 ] - [ -0.0002149000000000, 0.0018478600000000, -0.0001493900000000 ] - [ 0.0021550600000000, -0.0008420300000000, 0.0009568900000000 ] - [ -0.0074638400000000, 0.0021368600000000, 0.0030155200000000 ] - [ -0.0004132400000000, 0.0057750400000000, 0.0003810000000000 ] - [ -0.0004152500000000, 0.0010524500000000, 0.0003638800000000 ] - [ 0.0024641100000000, -0.0008059200000000, 0.0001605500000000 ] - [ -0.0032239900000000, 0.0017741500000000, -0.0042666200000000 ] - [ -0.0034522900000000, 0.0000988700000000, -0.0009082100000000 ] - [ 0.0060696300000000, 0.0021213800000000, -0.0008278300000000 ] - [ 0.0002289800000000, 0.0039756900000000, -0.0003807800000000 ] - [ 0.0000798700000000, 0.0014616600000000, -0.0003856500000000 ] - [ 0.0002787100000000, -0.0162305800000000, -0.0000869300000000 ] - [ -0.0003235200000000, -0.0018979500000000, 0.0000372000000000 ] - [ 0.0151917000000000, -0.0615454500000000, 0.0031237300000000 ] - [ -0.0003294100000000, -0.0016363900000000, -0.0003019200000000 ] - [ -0.0015091100000000, -0.0001871300000000, -0.0001431500000000 ] - [ 0.0048829500000000, 0.0038007200000000, 0.0043464300000000 ] - [ 0.0003240800000000, 0.0025157300000000, 0.0003004600000000 ] - [ 0.0002961500000000, 0.0033760900000000, 0.0002212500000000 ] - [ 0.0062353200000000, 0.0064907100000000, -0.0057274900000000 ] - [ -0.0012925600000000, -0.0002888500000000, -0.0003849300000000 ] - [ 0.0018331500000000, 0.0014979600000000, 0.0004141800000000 ] - [ -0.0006602600000000, 0.0016555900000000, -0.0000963900000000 ] - [ 0.0021657400000000, 0.0051750900000000, 0.0077221200000000 ] - [ -0.0011030600000000, -0.0010862900000000, -0.0001458500000000 ] - [ -0.0006587300000000, 0.0011656500000000, -0.0007610500000000 ] - [ 0.0012963600000000, 0.0009304500000000, 0.0001666800000000 ] - [ 0.0000613100000000, -0.0069024200000000, 0.0003902400000000 ] - [ -0.0019966900000000, -0.0092788700000000, -0.0000481600000000 ] - [ -0.0007704300000000, 0.0027022700000000, 0.0004787200000000 ] - [ -0.0008987300000000, 0.0013171900000000, 0.0004927200000000 ] - [ -0.0087692600000000, 0.0063111100000000, 0.0066137900000000 ] - [ 0.0004114300000000, -0.0012426000000000, 0.0000645600000000 ] - [ 0.0015630200000000, 0.0014991200000000, 0.0003688700000000 ] - [ -0.0005145900000000, 0.0014357400000000, -0.0003655200000000 ] - [ 0.0000640900000000, -0.0061877500000000, -0.0008039000000000 ] - [ 0.0006541300000000, -0.0040766400000000, -0.0006625000000000 ] - [ -0.0010305300000000, 0.0019742900000000, 0.0001119500000000 ] - [ 0.0013854400000000, 0.0020475500000000, 0.0003856300000000 ] - [ -0.0037595400000000, 0.0057858300000000, -0.0096359600000000 ] - [ 0.0002719800000000, -0.0012672800000000, 0.0002079700000000 ] - [ -0.0006563000000000, 0.0021944300000000, -0.0002709300000000 ] - [ -0.0007617300000000, 0.0007661100000000, -0.0003437300000000 ] - [ -0.0006956300000000, -0.0007710500000000, -0.0000926500000000 ] - [ 0.0000847900000000, -0.0016411100000000, 0.0001371700000000 ] - [ -0.0039271800000000, 0.0011474600000000, 0.0003243200000000 ] - [ 0.0020573300000000, 0.0002242500000000, 0.0006045000000000 ] - [ 0.0009912500000000, -0.0020824500000000, -0.0010323800000000 ] - [ -0.0000244000000000, 0.0000662700000000, -0.0000418100000000 ] - [ 0.0008256800000000, 0.0004709100000000, 0.0007385200000000 ] - [ -0.0014609000000000, 0.0019233500000000, -0.0003853100000000 ] - [ -0.0005957800000000, -0.0029082000000000, 0.0009391300000000 ] - [ -0.0002572900000000, -0.0004144900000000, -0.0001024300000000 ] - [ -0.0009246700000000, -0.0009960300000000, -0.0009413400000000 ] - [ 0.0009228500000000, -0.0000937600000000, -0.0003784400000000 ] - [ 0.0002677000000000, 0.0023349800000000, 0.0001912300000000 ] - [ 0.0007100300000000, 0.0034247900000000, -0.0004417500000000 ] - [ -0.0007011500000000, -0.0008842600000000, -0.0000018900000000 ] - [ 0.0001139600000000, -0.0008489000000000, 0.0001235400000000 ] - [ 0.0021492000000000, 0.0120646800000000, -0.0067624300000000 ] - [ -0.0001047900000000, 0.0003581600000000, -0.0002385000000000 ] - [ 0.0002830800000000, 0.0127666300000000, 0.0074280300000000 ] - [ 0.0008423700000000, 0.0008053800000000, 0.0001511400000000 ] - [ 0.0004289100000000, -0.0014006100000000, -0.0002108000000000 ] - [ -0.0001493700000000, -0.0007640800000000, -0.0002192100000000 ] - [ -0.0006729500000000, -0.0015740500000000, -0.0000227700000000 ] - [ -0.0004638200000000, -0.0005172500000000, 0.0001895600000000 ] - [ 0.0000819000000000, -0.0010155200000000, 0.0000660200000000 ] - [ 0.0003523400000000, -0.0007145400000000, 0.0001588300000000 ] - [ -0.0011867800000000, -0.0018742600000000, -0.0015000000000000 ] - [ 0.0001514100000000, -0.0001923900000000, -0.0003094800000000 ] - [ 0.0002420400000000, -0.0013539800000000, -0.0001917000000000 ] - [ 0.0005821900000000, -0.0010643800000000, -0.0001334400000000 ] - [ 0.0001300300000000, -0.0020279600000000, 0.0000151600000000 ] - [ 0.0001164500000000, -0.0011273900000000, 0.0000169200000000 ] - [ -0.0010296500000000, 0.0012591000000000, -0.0001544000000000 ] - [ 0.0005618000000000, 0.0024528600000000, 0.0005943400000000 ] - [ -0.0007276300000000, 0.0021900500000000, 0.0003019000000000 ] - [ 0.0000768100000000, 0.0020414300000000, 0.0010672800000000 ] - [ -0.0034060600000000, 0.0016346600000000, -0.0025668500000000 ] - [ 0.0008482800000000, 0.0008516800000000, 0.0000452300000000 ] - [ 0.0007237700000000, -0.0017369500000000, 0.0004397300000000 ] - [ 0.0003749200000000, -0.0020855200000000, 0.0004293900000000 ] - [ -0.0014272600000000, 0.0103834100000000, 0.0026911000000000 ] - [ -0.0000565000000000, 0.0014439700000000, -0.0001777500000000 ] - [ 0.0004929000000000, 0.0085903200000000, -0.0018395700000000 ] - [ 0.0003949800000000, 0.0009557800000000, -0.0001197100000000 ] - [ -0.0012656400000000, -0.0005758000000000, -0.0000999700000000 ] - [ -0.0001325600000000, -0.0008523900000000, 0.0003084200000000 ] - [ 0.0005266100000000, -0.0002362800000000, 0.0003040000000000 ] - [ -0.0007375200000000, -0.0009749700000000, -0.0001530100000000 ] - [ 0.0046461700000000, -0.0066478300000000, 0.0009998100000000 ] - [ 0.0002517700000000, 0.0004755100000000, -0.0001010400000000 ] - [ 0.0005767500000000, -0.0012702000000000, 0.0008952200000000 ] - [ -0.0009539500000000, -0.0009394500000000, 0.0005762000000000 ] - [ 0.0001963700000000, -0.0012736000000000, 0.0002091200000000 ] - [ -0.0002856800000000, -0.0006729000000000, -0.0000366700000000 ] - [ 0.0003515400000000, -0.0004476100000000, 0.0002077100000000 ] - [ -0.0000852600000000, -0.0008565000000000, 0.0000179300000000 ] - [ -0.0001930900000000, 0.0014735700000000, -0.0003924500000000 ] - [ -0.0062863200000000, 0.0113127100000000, -0.0031530800000000 ] - [ 0.0019415700000000, -0.0009775600000000, -0.0009396400000000 ] - [ -0.0013493200000000, -0.0002798800000000, -0.0009326000000000 ] - [ -0.0004870400000000, -0.0004818200000000, -0.0000708800000000 ] - [ 0.0010671700000000, -0.0013171500000000, 0.0001341200000000 ] - [ 0.0010246200000000, 0.0015663800000000, 0.0002599600000000 ] - [ -0.0053253900000000, 0.0039683400000000, -0.0012676500000000 ] - [ 0.0008312800000000, -0.0017616100000000, -0.0002476800000000 ] - [ 0.0007375100000000, -0.0010098400000000, -0.0002701800000000 ] - [ -0.0004448200000000, -0.0005014000000000, -0.0002828600000000 ] - [ 0.0015412900000000, -0.0018810500000000, 0.0002869200000000 ] - [ -0.0024413200000000, -0.0090633400000000, -0.0006542200000000 ] - [ -0.0000220300000000, -0.0003457300000000, 0.0002318100000000 ] - [ 0.0007649000000000, -0.0012714100000000, -0.0001250900000000 ] - [ -0.0001896800000000, -0.0018377800000000, -0.0004859300000000 ] - [ 0.0000847700000000, -0.0025689100000000, -0.0006273400000000 ] - [ 0.0000422300000000, -0.0013070400000000, -0.0003936700000000 ] - [ 0.0006838200000000, 0.0002274700000000, 0.0003496800000000 ] - [ -0.0012557100000000, -0.0011900400000000, 0.0000343700000000 ] - [ 0.0007522800000000, 0.0069927500000000, 0.0001631300000000 ] - [ -0.0001049500000000, 0.0013592300000000, -0.0001429300000000 ] - [ -0.0000517200000000, -0.0006097600000000, 0.0002188800000000 ] - [ 0.0005090000000000, -0.0011719600000000, 0.0003864900000000 ] - [ -0.0001908200000000, -0.0014768300000000, 0.0000341900000000 ] - [ -0.0000217600000000, -0.0001665100000000, -0.0001912700000000 ] - [ -0.0002514700000000, -0.0029824400000000, -0.0010348000000000 ] - [ -0.0001297200000000, -0.0003554200000000, 0.0001002900000000 ] - [ -0.0000045700000000, -0.0018892300000000, 0.0001184100000000 ] - [ 0.0002817300000000, -0.0007845700000000, 0.0000030900000000 ] - [ 0.0013652700000000, 0.0067720400000000, 0.0002034100000000 ] - [ -0.0008672500000000, 0.0013317600000000, 0.0002914800000000 ] - [ -0.0013124900000000, -0.0019848400000000, 0.0011141100000000 ] - [ 0.0005964100000000, -0.0003623000000000, 0.0007773700000000 ] - [ 0.0009649900000000, 0.0008702300000000, -0.0001957900000000 ] - [ -0.0002312000000000, 0.0007949400000000, -0.0003417000000000 ] - [ 0.0003343500000000, -0.0017292200000000, 0.0011628000000000 ] - [ -0.0001639600000000, 0.0005154500000000, -0.0003189900000000 ] - [ 0.0018200600000000, -0.0007683800000000, 0.0016873900000000 ] - [ -0.0007194500000000, 0.0001528500000000, 0.0000702600000000 ]- atom: 19 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008804700000000, -0.0060971200000000, 0.0000945700000000 ] - [ -0.0001521000000000, -0.0006032900000000, -0.0002548200000000 ] - [ -0.0000474700000000, -0.0017026600000000, -0.0001426100000000 ] - [ 0.0000796800000000, -0.0026766300000000, -0.0001885900000000 ] - [ -0.0000209700000000, -0.0029638000000000, -0.0001017300000000 ] - [ 0.0002767100000000, -0.0003963700000000, 0.0000061700000000 ] - [ -0.0025623100000000, 0.0014145200000000, -0.0002625900000000 ] - [ 0.0070238800000000, -0.0015663900000000, -0.0023048200000000 ] - [ -0.0006353100000000, -0.0057923100000000, 0.0003213800000000 ] - [ -0.0006335600000000, -0.0010439000000000, 0.0003383500000000 ] - [ -0.0014152400000000, 0.0007978400000000, -0.0008628500000000 ] - [ 0.0042584800000000, -0.0017834900000000, 0.0035502300000000 ] - [ 0.0033951800000000, 0.0013762100000000, 0.0010515400000000 ] - [ -0.0061495200000000, -0.0006525900000000, 0.0009786700000000 ] - [ 0.0001794800000000, -0.0033885700000000, -0.0003135300000000 ] - [ 0.0003293800000000, -0.0008699200000000, -0.0003082900000000 ] - [ -0.0004712300000000, 0.0169937500000000, 0.0003540800000000 ] - [ 0.0001087200000000, 0.0026456000000000, 0.0002248400000000 ] - [ -0.0151377500000000, 0.0627007400000000, -0.0032291800000000 ] - [ -0.0000502900000000, 0.0026586400000000, -0.0002150100000000 ] - [ 0.0019155200000000, 0.0008380800000000, 0.0006556300000000 ] - [ -0.0044925500000000, -0.0031540300000000, -0.0038589500000000 ] - [ 0.0000557300000000, -0.0014918800000000, 0.0002166200000000 ] - [ 0.0000767600000000, -0.0023527200000000, 0.0002932200000000 ] - [ -0.0064858700000000, -0.0064013500000000, 0.0054668600000000 ] - [ 0.0009898300000000, 0.0003600900000000, 0.0001998600000000 ] - [ -0.0008486800000000, -0.0022101200000000, -0.0000704500000000 ] - [ 0.0016310200000000, -0.0023655900000000, 0.0004389000000000 ] - [ -0.0029309500000000, -0.0065585600000000, -0.0073820900000000 ] - [ 0.0003307500000000, -0.0003121700000000, 0.0004026300000000 ] - [ 0.0014364000000000, -0.0025561200000000, 0.0005046800000000 ] - [ -0.0005249600000000, -0.0023199200000000, -0.0004285200000000 ] - [ 0.0013079700000000, 0.0055108900000000, 0.0003347000000000 ] - [ 0.0034274200000000, 0.0079007600000000, 0.0007777700000000 ] - [ -0.0009515900000000, -0.0028587300000000, 0.0005749600000000 ] - [ -0.0008267500000000, -0.0014733900000000, 0.0005592900000000 ] - [ 0.0078763700000000, -0.0070272600000000, -0.0070365200000000 ] - [ -0.0013878000000000, 0.0005383400000000, -0.0004057700000000 ] - [ -0.0009619100000000, -0.0021812500000000, -0.0005047000000000 ] - [ 0.0011036400000000, -0.0021200300000000, 0.0002236300000000 ] - [ 0.0016291600000000, 0.0060032700000000, -0.0002801400000000 ] - [ 0.0010787900000000, 0.0039095900000000, -0.0003963400000000 ] - [ 0.0013360500000000, -0.0018904500000000, 0.0000772400000000 ] - [ -0.0010902800000000, -0.0019654200000000, -0.0001959900000000 ] - [ 0.0031885500000000, -0.0064699200000000, 0.0098948100000000 ] - [ -0.0008708900000000, 0.0005850000000000, -0.0000567700000000 ] - [ -0.0007480500000000, -0.0035637200000000, -0.0004572800000000 ] - [ -0.0006453400000000, -0.0021353500000000, -0.0003857600000000 ] - [ -0.0004259300000000, 0.0008387200000000, -0.0000703600000000 ] - [ -0.0012005900000000, 0.0017046400000000, -0.0002986100000000 ] - [ 0.0035779000000000, -0.0011626800000000, -0.0000632300000000 ] - [ -0.0023964100000000, -0.0002516000000000, -0.0003473300000000 ] - [ -0.0007518300000000, 0.0024571100000000, 0.0009994600000000 ] - [ 0.0002570200000000, 0.0003112400000000, 0.0000203800000000 ] - [ -0.0008486600000000, -0.0016984900000000, 0.0000153200000000 ] - [ 0.0014239400000000, -0.0031515200000000, 0.0011348700000000 ] - [ 0.0002088900000000, 0.0024763600000000, -0.0011965700000000 ] - [ -0.0001336200000000, -0.0000231400000000, -0.0001444500000000 ] - [ 0.0015506200000000, 0.0007501700000000, -0.0003376700000000 ] - [ -0.0002954200000000, -0.0001602500000000, -0.0008994200000000 ] - [ -0.0003801300000000, -0.0030256200000000, -0.0001850700000000 ] - [ -0.0008490100000000, -0.0041181800000000, 0.0004451000000000 ] - [ 0.0004902300000000, 0.0011806200000000, 0.0003382700000000 ] - [ -0.0003189600000000, 0.0011461000000000, 0.0002138000000000 ] - [ -0.0028729900000000, -0.0131635100000000, 0.0056989500000000 ] - [ -0.0007492000000000, -0.0016269200000000, -0.0004827000000000 ] - [ 0.0008381800000000, -0.0130284200000000, -0.0077652400000000 ] - [ 0.0002785800000000, -0.0007408500000000, 0.0000116600000000 ] - [ -0.0000950500000000, 0.0013663000000000, -0.0000455100000000 ] - [ 0.0004865600000000, 0.0007291300000000, -0.0000374400000000 ] - [ -0.0001104200000000, 0.0019230600000000, 0.0004946800000000 ] - [ -0.0003206600000000, 0.0008649000000000, 0.0002808100000000 ] - [ 0.0001802200000000, 0.0014362400000000, 0.0001996100000000 ] - [ -0.0000862700000000, 0.0011350800000000, 0.0001084000000000 ] - [ 0.0007057300000000, 0.0021623200000000, 0.0005868900000000 ] - [ -0.0006263900000000, 0.0004873900000000, -0.0005940600000000 ] - [ 0.0004513400000000, 0.0011419200000000, -0.0002813800000000 ] - [ 0.0001153900000000, 0.0008528600000000, -0.0003392400000000 ] - [ -0.0000011500000000, 0.0013290900000000, -0.0000172300000000 ] - [ 0.0000130200000000, 0.0004293700000000, -0.0000187300000000 ] - [ 0.0002600400000000, -0.0013962600000000, 0.0001778500000000 ] - [ -0.0013406400000000, -0.0025849800000000, -0.0005735200000000 ] - [ -0.0006661500000000, -0.0027774500000000, 0.0002640100000000 ] - [ -0.0014806000000000, -0.0026349600000000, -0.0005058200000000 ] - [ 0.0033271400000000, -0.0014585600000000, 0.0024490400000000 ] - [ -0.0009164100000000, -0.0006950400000000, -0.0001524700000000 ] - [ 0.0001300200000000, 0.0004653700000000, 0.0002815700000000 ] - [ 0.0004818500000000, 0.0008141600000000, 0.0002924000000000 ] - [ 0.0011114100000000, -0.0090895000000000, -0.0027209900000000 ] - [ -0.0001541300000000, -0.0003529200000000, -0.0001368500000000 ] - [ -0.0008343300000000, -0.0085359000000000, 0.0015932900000000 ] - [ -0.0005546300000000, -0.0006488600000000, -0.0004020000000000 ] - [ -0.0000674700000000, 0.0009284100000000, 0.0002126900000000 ] - [ -0.0011949500000000, 0.0012036100000000, -0.0001934500000000 ] - [ -0.0007592800000000, 0.0006075800000000, -0.0002828800000000 ] - [ 0.0005070800000000, 0.0013459300000000, 0.0001753000000000 ] - [ -0.0033564700000000, 0.0070170000000000, -0.0011252100000000 ] - [ 0.0010783300000000, -0.0001277600000000, -0.0000123900000000 ] - [ -0.0012086000000000, 0.0010139400000000, 0.0003814700000000 ] - [ 0.0003293200000000, 0.0006812200000000, 0.0007016600000000 ] - [ -0.0001304300000000, 0.0014239500000000, -0.0001032200000000 ] - [ 0.0003542200000000, 0.0008226600000000, 0.0001441900000000 ] - [ -0.0001410700000000, 0.0015348900000000, 0.0001062100000000 ] - [ 0.0002982600000000, 0.0019435000000000, 0.0002970300000000 ] - [ 0.0009806400000000, -0.0011201600000000, -0.0000786000000000 ] - [ 0.0066993700000000, -0.0107925900000000, 0.0025401300000000 ] - [ -0.0021506700000000, 0.0010379500000000, -0.0004077600000000 ] - [ 0.0011493000000000, 0.0003425500000000, -0.0004190900000000 ] - [ 0.0008750500000000, 0.0000516100000000, 0.0003162300000000 ] - [ -0.0006736300000000, 0.0008854400000000, 0.0001123700000000 ] - [ -0.0009797300000000, -0.0004750500000000, 0.0001610800000000 ] - [ 0.0053419900000000, -0.0029276300000000, 0.0016800500000000 ] - [ 0.0005685600000000, 0.0011649500000000, -0.0003158200000000 ] - [ 0.0006642100000000, 0.0004129700000000, -0.0002928400000000 ] - [ 0.0008360800000000, 0.0001053700000000, 0.0000539800000000 ] - [ -0.0011376000000000, 0.0014803400000000, -0.0005131400000000 ] - [ 0.0017177600000000, 0.0080298200000000, 0.0010829600000000 ] - [ -0.0006835200000000, -0.0006896500000000, 0.0002063500000000 ] - [ -0.0000603300000000, 0.0002305900000000, -0.0003134900000000 ] - [ 0.0008977700000000, 0.0007980800000000, 0.0000490700000000 ] - [ -0.0000518600000000, 0.0013437200000000, -0.0001251300000000 ] - [ -0.0000100600000000, 0.0000867600000000, -0.0003569000000000 ] - [ -0.0006440200000000, 0.0009932100000000, 0.0002083300000000 ] - [ 0.0013070300000000, 0.0024189500000000, 0.0005254100000000 ] - [ -0.0009804900000000, -0.0066176800000000, -0.0003682400000000 ] - [ -0.0001583700000000, -0.0009390500000000, -0.0001242800000000 ] - [ 0.0002106200000000, 0.0009196100000000, 0.0003028200000000 ] - [ -0.0003463600000000, 0.0014803600000000, 0.0001364500000000 ] - [ 0.0001543300000000, 0.0025716200000000, -0.0004518400000000 ] - [ -0.0000138200000000, 0.0012657700000000, -0.0002284100000000 ] - [ -0.0001431200000000, 0.0025849800000000, 0.0012756300000000 ] - [ -0.0002641800000000, -0.0000473900000000, 0.0001276800000000 ] - [ 0.0007785500000000, 0.0017472600000000, -0.0001411000000000 ] - [ 0.0004905100000000, 0.0006407500000000, -0.0000247300000000 ] - [ -0.0019971600000000, -0.0070372500000000, 0.0002314300000000 ] - [ 0.0001693600000000, -0.0015443800000000, 0.0001805100000000 ] - [ 0.0015060800000000, 0.0020476100000000, 0.0002442500000000 ] - [ -0.0003918700000000, 0.0004320800000000, 0.0005759000000000 ] - [ -0.0007596000000000, -0.0005890600000000, -0.0001407900000000 ] - [ 0.0004392500000000, -0.0005003100000000, 0.0000044500000000 ] - [ -0.0003745500000000, 0.0029494900000000, -0.0017063800000000 ] - [ 0.0001237000000000, 0.0007111300000000, -0.0002394800000000 ] - [ -0.0013475900000000, 0.0010519100000000, -0.0007909300000000 ] - [ 0.0011963800000000, 0.0001355500000000, 0.0008346700000000 ]- atom: 19 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ 0.0001248100000000, 0.0003332700000000, -0.0013300100000000 ] - [ -0.0003057700000000, 0.0003181200000000, -0.0002880800000000 ] - [ 0.0001104100000000, 0.0003732400000000, -0.0001878800000000 ] - [ 0.0000791900000000, 0.0004174600000000, -0.0001364200000000 ] - [ -0.0001642600000000, 0.0006806000000000, 0.0009151600000000 ] - [ 0.0000698800000000, 0.0007394700000000, -0.0000540300000000 ] - [ 0.0001919400000000, 0.0003297000000000, -0.0010270300000000 ] - [ -0.0049739300000000, 0.0039404400000000, -0.0004501200000000 ] - [ -0.0002457900000000, -0.0000249900000000, -0.0007880900000000 ] - [ -0.0006103000000000, -0.0000186500000000, 0.0003309900000000 ] - [ 0.0000288200000000, -0.0000254800000000, 0.0010512900000000 ] - [ 0.0027565000000000, -0.0017843000000000, 0.0005817700000000 ] - [ 0.0003231300000000, 0.0008326900000000, -0.0017356900000000 ] - [ -0.0044667500000000, -0.0023687600000000, -0.0008685300000000 ] - [ -0.0000835200000000, 0.0002983200000000, 0.0006282800000000 ] - [ 0.0002670500000000, 0.0002684400000000, -0.0003259800000000 ] - [ -0.0080292000000000, 0.0009508600000000, 0.0319382300000000 ] - [ 0.0003026900000000, 0.0003984500000000, 0.0002323600000000 ] - [ 0.0224205000000000, -0.0002818400000000, -0.0907045400000000 ] - [ -0.0006717600000000, 0.0005054200000000, -0.0004216200000000 ] - [ -0.0000897700000000, 0.0003444300000000, 0.0012818000000000 ] - [ 0.0043645300000000, 0.0044028600000000, 0.0017966900000000 ] - [ 0.0001601800000000, 0.0005054400000000, 0.0003212700000000 ] - [ 0.0002264200000000, 0.0005738800000000, 0.0002678300000000 ] - [ -0.0036734200000000, -0.0097429300000000, -0.0004349900000000 ] - [ -0.0001780700000000, 0.0000636300000000, -0.0001924200000000 ] - [ 0.0003065600000000, -0.0006190800000000, 0.0001434900000000 ] - [ 0.0005066900000000, -0.0002981300000000, 0.0000304200000000 ] - [ 0.0028295400000000, 0.0078556900000000, 0.0019990500000000 ] - [ -0.0004990300000000, -0.0006439200000000, 0.0002013300000000 ] - [ 0.0006435100000000, -0.0011290900000000, -0.0001181400000000 ] - [ 0.0003005800000000, -0.0006854600000000, 0.0002163500000000 ] - [ -0.0058044900000000, -0.0019996500000000, -0.0001050200000000 ] - [ 0.0019123700000000, -0.0005768000000000, -0.0025551800000000 ] - [ -0.0008590300000000, -0.0001055900000000, 0.0005223500000000 ] - [ -0.0008618600000000, -0.0000665900000000, 0.0005373500000000 ] - [ -0.0063157900000000, 0.0102531800000000, 0.0014591400000000 ] - [ -0.0004359900000000, -0.0004252500000000, -0.0003058500000000 ] - [ 0.0004108300000000, -0.0001110300000000, 0.0000052000000000 ] - [ 0.0002287000000000, -0.0002448100000000, 0.0000696700000000 ] - [ 0.0069451300000000, 0.0014736500000000, 0.0027279500000000 ] - [ 0.0005488000000000, -0.0001124500000000, 0.0017486800000000 ] - [ -0.0000614600000000, 0.0004495900000000, -0.0000223900000000 ] - [ 0.0002341900000000, 0.0000455600000000, -0.0002464000000000 ] - [ 0.0034190700000000, -0.0109919600000000, 0.0046280600000000 ] - [ -0.0003278600000000, -0.0004240100000000, 0.0002091300000000 ] - [ -0.0007076900000000, -0.0006428900000000, -0.0003707800000000 ] - [ -0.0006960200000000, -0.0006747700000000, -0.0003735800000000 ] - [ -0.0005350200000000, 0.0000673200000000, -0.0000743700000000 ] - [ -0.0005844900000000, 0.0000158400000000, -0.0000180300000000 ] - [ 0.0024746600000000, 0.0016799700000000, 0.0010382300000000 ] - [ -0.0003720100000000, 0.0000251800000000, 0.0006759600000000 ] - [ 0.0002870000000000, -0.0019435600000000, -0.0001310600000000 ] - [ 0.0001161200000000, 0.0001826000000000, 0.0000129000000000 ] - [ -0.0011616200000000, -0.0002943600000000, -0.0000660400000000 ] - [ 0.0002799600000000, -0.0006776000000000, -0.0025525900000000 ] - [ -0.0004333300000000, 0.0016127800000000, -0.0003525000000000 ] - [ -0.0002035500000000, -0.0002084600000000, -0.0001265400000000 ] - [ 0.0011021300000000, 0.0001233500000000, -0.0034091500000000 ] - [ 0.0002127100000000, -0.0001062500000000, -0.0006823100000000 ] - [ -0.0007376100000000, -0.0003136200000000, 0.0023382800000000 ] - [ 0.0023505800000000, -0.0006231700000000, 0.0002169900000000 ] - [ -0.0001288800000000, 0.0001536000000000, 0.0002964900000000 ] - [ -0.0000797000000000, 0.0000866900000000, 0.0001836600000000 ] - [ -0.0051654800000000, -0.0084694100000000, 0.0134783700000000 ] - [ -0.0004176000000000, -0.0006505400000000, -0.0004045200000000 ] - [ -0.0002942000000000, 0.0063319300000000, 0.0112842700000000 ] - [ 0.0006516800000000, 0.0000436400000000, -0.0000535200000000 ] - [ 0.0002094300000000, -0.0002143000000000, -0.0001290300000000 ] - [ 0.0001371900000000, -0.0000272600000000, -0.0000986200000000 ] - [ -0.0003946000000000, 0.0000796700000000, 0.0002409600000000 ] - [ -0.0003880700000000, 0.0001749600000000, 0.0002312100000000 ] - [ 0.0001136000000000, 0.0001900300000000, 0.0001105400000000 ] - [ 0.0001332500000000, 0.0001994900000000, 0.0001087900000000 ] - [ -0.0004022300000000, -0.0003103300000000, -0.0004598700000000 ] - [ -0.0002002100000000, 0.0001175900000000, -0.0004735400000000 ] - [ 0.0003781900000000, -0.0000690500000000, -0.0002511200000000 ] - [ 0.0003356600000000, -0.0001122500000000, -0.0002164600000000 ] - [ 0.0000846800000000, -0.0003527500000000, -0.0000697700000000 ] - [ 0.0000583400000000, -0.0003500700000000, -0.0000028300000000 ] - [ -0.0009006300000000, -0.0001654500000000, -0.0002533000000000 ] - [ -0.0001026200000000, 0.0002203700000000, -0.0034146000000000 ] - [ 0.0002438200000000, -0.0004092500000000, -0.0027497000000000 ] - [ -0.0014015900000000, -0.0001566800000000, -0.0000327500000000 ] - [ -0.0028138800000000, -0.0019989200000000, -0.0008587500000000 ] - [ 0.0002156500000000, 0.0000150200000000, -0.0005058200000000 ] - [ 0.0004549200000000, -0.0006669500000000, 0.0003738800000000 ] - [ 0.0004132500000000, -0.0006407800000000, 0.0004324200000000 ] - [ -0.0023344800000000, 0.0039046200000000, 0.0069646500000000 ] - [ -0.0000990000000000, 0.0005313700000000, -0.0000967500000000 ] - [ -0.0011213800000000, -0.0011214000000000, 0.0037321600000000 ] - [ -0.0000616000000000, 0.0001748700000000, -0.0001133100000000 ] - [ -0.0006025900000000, 0.0001972900000000, -0.0001062600000000 ] - [ -0.0007166600000000, 0.0002663300000000, 0.0000290400000000 ] - [ -0.0002781300000000, 0.0002507100000000, 0.0000199300000000 ] - [ 0.0001591500000000, 0.0003525200000000, -0.0008420000000000 ] - [ -0.0006478400000000, 0.0003189200000000, 0.0047023300000000 ] - [ 0.0008049900000000, 0.0002243400000000, -0.0000161300000000 ] - [ -0.0003946400000000, -0.0001255600000000, 0.0009127200000000 ] - [ -0.0002033200000000, 0.0000919000000000, 0.0006612500000000 ] - [ 0.0000030500000000, 0.0002590200000000, 0.0000266700000000 ] - [ 0.0000209600000000, 0.0000636900000000, 0.0000061900000000 ] - [ 0.0000830900000000, 0.0005736000000000, 0.0001509200000000 ] - [ 0.0001288200000000, 0.0005413200000000, 0.0000880200000000 ] - [ 0.0009618800000000, 0.0002349300000000, -0.0001400100000000 ] - [ 0.0002519400000000, -0.0007923500000000, 0.0057807400000000 ] - [ 0.0006098900000000, -0.0010222700000000, -0.0006745900000000 ] - [ -0.0003691000000000, 0.0000174900000000, -0.0002471500000000 ] - [ -0.0000428100000000, -0.0004513700000000, 0.0000159800000000 ] - [ 0.0004265700000000, -0.0003649200000000, -0.0005733500000000 ] - [ 0.0013327500000000, 0.0001473700000000, 0.0003352300000000 ] - [ -0.0016878800000000, 0.0002565000000000, 0.0045029700000000 ] - [ 0.0006838000000000, -0.0003009200000000, -0.0002062900000000 ] - [ 0.0007091800000000, -0.0002979200000000, -0.0002788700000000 ] - [ 0.0004298900000000, -0.0000342100000000, -0.0000589200000000 ] - [ 0.0000251500000000, -0.0002672100000000, 0.0005073100000000 ] - [ -0.0017980500000000, -0.0005357400000000, 0.0052677300000000 ] - [ -0.0002810600000000, -0.0005376300000000, 0.0002535300000000 ] - [ 0.0004123800000000, -0.0005170500000000, -0.0004395300000000 ] - [ 0.0001987000000000, -0.0009779900000000, -0.0002563800000000 ] - [ -0.0000008200000000, -0.0006992200000000, -0.0003744200000000 ] - [ 0.0000207500000000, -0.0006165900000000, -0.0003682800000000 ] - [ 0.0001630700000000, 0.0005447100000000, 0.0003408600000000 ] - [ -0.0001569200000000, 0.0007866000000000, 0.0011807800000000 ] - [ -0.0012667000000000, -0.0000305500000000, 0.0047437500000000 ] - [ 0.0000801100000000, 0.0002962900000000, -0.0003476400000000 ] - [ 0.0000679500000000, 0.0001189300000000, 0.0002529800000000 ] - [ 0.0000861000000000, 0.0001371400000000, 0.0001694700000000 ] - [ -0.0000175300000000, 0.0006156100000000, -0.0001990900000000 ] - [ -0.0000112700000000, 0.0005450000000000, -0.0002143500000000 ] - [ 0.0000836600000000, -0.0025332500000000, 0.0000250400000000 ] - [ -0.0001968100000000, -0.0001909700000000, 0.0001107800000000 ] - [ 0.0003929600000000, -0.0000088500000000, -0.0000085900000000 ] - [ 0.0003875400000000, -0.0000714800000000, -0.0000051200000000 ] - [ -0.0005468700000000, -0.0003743900000000, 0.0049171300000000 ] - [ -0.0003198000000000, -0.0000014400000000, 0.0005644300000000 ] - [ 0.0002124000000000, 0.0005845300000000, 0.0007995200000000 ] - [ 0.0001141100000000, 0.0000153300000000, 0.0007156900000000 ] - [ 0.0017060000000000, 0.0000961600000000, -0.0055954900000000 ] - [ 0.0000065600000000, 0.0001820700000000, -0.0002013600000000 ] - [ -0.0004122800000000, 0.0026023100000000, -0.0004903700000000 ] - [ 0.0000041100000000, 0.0006101600000000, -0.0003091700000000 ] - [ -0.0004013000000000, 0.0012654700000000, 0.0000415100000000 ] - [ 0.0002155700000000, 0.0001511600000000, -0.0000932100000000 ]- atom: 19 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0005317100000000, 0.0002949300000000, 0.0008176500000000 ] - [ -0.0000996400000000, 0.0003204900000000, -0.0002243200000000 ] - [ 0.0001005200000000, 0.0003748400000000, -0.0000756600000000 ] - [ 0.0001308500000000, 0.0003293600000000, -0.0001283900000000 ] - [ 0.0002245600000000, 0.0007803500000000, -0.0010576900000000 ] - [ -0.0000054300000000, 0.0007148600000000, -0.0000881800000000 ] - [ -0.0006017300000000, 0.0002580400000000, 0.0017204200000000 ] - [ 0.0045552200000000, -0.0033415600000000, 0.0010897300000000 ] - [ -0.0008009600000000, 0.0000341100000000, 0.0014905000000000 ] - [ -0.0004369600000000, 0.0000229800000000, 0.0003712200000000 ] - [ 0.0010275400000000, 0.0000360500000000, -0.0017517300000000 ] - [ -0.0017225500000000, 0.0017802700000000, -0.0012467400000000 ] - [ -0.0003885400000000, 0.0006229000000000, 0.0018766800000000 ] - [ 0.0043970100000000, 0.0038199700000000, 0.0009814600000000 ] - [ 0.0004921800000000, 0.0002849600000000, -0.0013221400000000 ] - [ 0.0001437200000000, 0.0003200200000000, -0.0003671300000000 ] - [ 0.0077908200000000, -0.0002385100000000, -0.0316920100000000 ] - [ -0.0005094700000000, 0.0003500800000000, 0.0000331100000000 ] - [ -0.0232154200000000, 0.0013666800000000, 0.0906507900000000 ] - [ 0.0002993000000000, 0.0005178000000000, -0.0000956500000000 ] - [ 0.0005015300000000, 0.0002930500000000, -0.0007671600000000 ] - [ -0.0039789700000000, -0.0037686200000000, -0.0012623000000000 ] - [ 0.0002169700000000, 0.0005175600000000, 0.0001950700000000 ] - [ 0.0001490000000000, 0.0004480300000000, 0.0002491300000000 ] - [ 0.0033783300000000, 0.0098771300000000, 0.0002898200000000 ] - [ -0.0001160500000000, 0.0000089300000000, 0.0000102400000000 ] - [ 0.0006695700000000, -0.0000890600000000, 0.0002011000000000 ] - [ 0.0004729700000000, -0.0004132200000000, 0.0003139000000000 ] - [ -0.0035754600000000, -0.0092029700000000, -0.0017709200000000 ] - [ -0.0002722500000000, -0.0007487400000000, 0.0000567400000000 ] - [ 0.0001318200000000, -0.0002659000000000, -0.0001433500000000 ] - [ 0.0004724600000000, -0.0007090600000000, -0.0004772400000000 ] - [ 0.0072202500000000, 0.0006226500000000, 0.0008461700000000 ] - [ -0.0004390700000000, -0.0007884200000000, 0.0032785400000000 ] - [ -0.0008650200000000, -0.0000522600000000, 0.0005293600000000 ] - [ -0.0008616000000000, -0.0000909900000000, 0.0005147600000000 ] - [ 0.0053621200000000, -0.0110156200000000, -0.0017557100000000 ] - [ -0.0005344200000000, -0.0002821200000000, -0.0000334300000000 ] - [ 0.0001808300000000, -0.0005704500000000, -0.0001473400000000 ] - [ 0.0003623100000000, -0.0004382900000000, -0.0002101300000000 ] - [ -0.0051931100000000, -0.0016373900000000, -0.0037971700000000 ] - [ 0.0011524100000000, -0.0000507000000000, -0.0028107100000000 ] - [ 0.0003629600000000, -0.0003690900000000, 0.0002142200000000 ] - [ 0.0000655900000000, 0.0000339200000000, 0.0004362500000000 ] - [ -0.0039802900000000, 0.0102477100000000, -0.0045015400000000 ] - [ -0.0002695700000000, -0.0002636100000000, -0.0000584100000000 ] - [ -0.0006986500000000, -0.0007285700000000, -0.0003559300000000 ] - [ -0.0007078800000000, -0.0006961100000000, -0.0003530600000000 ] - [ -0.0005846600000000, -0.0000021400000000, -0.0000891000000000 ] - [ -0.0005350800000000, 0.0000515000000000, -0.0001454900000000 ] - [ -0.0028186100000000, -0.0017183700000000, -0.0007973800000000 ] - [ 0.0000174400000000, -0.0000495500000000, -0.0004183400000000 ] - [ -0.0000544800000000, 0.0023095800000000, 0.0001163700000000 ] - [ 0.0001142800000000, 0.0001913600000000, -0.0000342100000000 ] - [ 0.0011287400000000, -0.0009275400000000, 0.0008169600000000 ] - [ -0.0002885600000000, -0.0005328400000000, 0.0033082900000000 ] - [ 0.0000400500000000, -0.0020417600000000, 0.0001100200000000 ] - [ -0.0001888500000000, -0.0002271600000000, -0.0001213900000000 ] - [ -0.0004799600000000, -0.0003901000000000, 0.0021305400000000 ] - [ 0.0004113900000000, -0.0001488800000000, -0.0005981800000000 ] - [ 0.0006143900000000, -0.0003842500000000, -0.0023334700000000 ] - [ -0.0024715900000000, -0.0000774600000000, -0.0001871300000000 ] - [ -0.0000767500000000, 0.0001418700000000, 0.0000413300000000 ] - [ -0.0001263900000000, 0.0002096100000000, 0.0001551300000000 ] - [ 0.0046828000000000, 0.0078418100000000, -0.0151583500000000 ] - [ -0.0004415400000000, -0.0006190100000000, -0.0003184100000000 ] - [ 0.0014058200000000, -0.0068213900000000, -0.0117821900000000 ] - [ 0.0004652800000000, 0.0000213600000000, 0.0002153100000000 ] - [ 0.0001268900000000, 0.0001827800000000, -0.0001285500000000 ] - [ 0.0001985700000000, -0.0000052800000000, -0.0001584400000000 ] - [ -0.0003896700000000, 0.0002711900000000, 0.0002287700000000 ] - [ -0.0003972900000000, 0.0001755200000000, 0.0002390400000000 ] - [ 0.0001508400000000, 0.0002312800000000, 0.0001580200000000 ] - [ 0.0001311100000000, 0.0002221600000000, 0.0001592900000000 ] - [ -0.0000756300000000, 0.0006013400000000, -0.0004379100000000 ] - [ -0.0002778400000000, 0.0001736000000000, -0.0004294800000000 ] - [ 0.0003181800000000, -0.0001426500000000, -0.0002234800000000 ] - [ 0.0003595400000000, -0.0000984900000000, -0.0002579200000000 ] - [ 0.0000439600000000, -0.0003438600000000, 0.0000678400000000 ] - [ 0.0000693800000000, -0.0003467700000000, 0.0000006600000000 ] - [ 0.0001256900000000, 0.0000242100000000, 0.0002770500000000 ] - [ -0.0006372600000000, -0.0003816100000000, 0.0034469900000000 ] - [ -0.0016592000000000, -0.0001862500000000, 0.0033092300000000 ] - [ 0.0000026000000000, -0.0004400400000000, 0.0005774600000000 ] - [ 0.0027312400000000, 0.0021447000000000, 0.0007649200000000 ] - [ -0.0002793200000000, 0.0001360200000000, 0.0003998100000000 ] - [ 0.0004013100000000, -0.0006014200000000, 0.0003474000000000 ] - [ 0.0004432700000000, -0.0006277400000000, 0.0002891000000000 ] - [ 0.0019137000000000, -0.0023792100000000, -0.0066716100000000 ] - [ -0.0001143600000000, 0.0005586900000000, -0.0002183900000000 ] - [ 0.0007453600000000, 0.0011061100000000, -0.0038991700000000 ] - [ -0.0001007700000000, 0.0001333400000000, -0.0004098600000000 ] - [ -0.0007273100000000, 0.0001499400000000, 0.0002198800000000 ] - [ -0.0006128400000000, 0.0000840400000000, 0.0000832900000000 ] - [ 0.0000453700000000, 0.0001242300000000, 0.0000009400000000 ] - [ -0.0003886800000000, 0.0000237900000000, 0.0008630100000000 ] - [ 0.0019870200000000, 0.0000046900000000, -0.0048123100000000 ] - [ 0.0005234100000000, 0.0001238300000000, -0.0000963200000000 ] - [ -0.0002298000000000, -0.0001313000000000, 0.0003661400000000 ] - [ -0.0004222300000000, -0.0003476300000000, 0.0006183100000000 ] - [ 0.0000648900000000, -0.0001057000000000, 0.0000814100000000 ] - [ 0.0000471400000000, 0.0000889800000000, 0.0001013300000000 ] - [ 0.0001287100000000, 0.0005168100000000, 0.0001639200000000 ] - [ 0.0000839000000000, 0.0005498100000000, 0.0002269700000000 ] - [ -0.0001787300000000, 0.0001152200000000, -0.0003335400000000 ] - [ 0.0005194500000000, 0.0011607100000000, -0.0062447600000000 ] - [ -0.0008119200000000, 0.0010895200000000, -0.0006811800000000 ] - [ 0.0001656400000000, 0.0000430000000000, -0.0011038400000000 ] - [ 0.0004340200000000, 0.0000144800000000, 0.0002322900000000 ] - [ -0.0000320700000000, -0.0000704400000000, 0.0008196900000000 ] - [ -0.0012955200000000, 0.0009503300000000, 0.0000839800000000 ] - [ 0.0016900700000000, 0.0008017400000000, -0.0040974600000000 ] - [ 0.0007171900000000, -0.0002936300000000, -0.0003570300000000 ] - [ 0.0006911200000000, -0.0002961400000000, -0.0002845900000000 ] - [ -0.0000357900000000, -0.0003683700000000, -0.0001709300000000 ] - [ 0.0003672800000000, -0.0001264600000000, -0.0007344700000000 ] - [ 0.0010984900000000, -0.0004635700000000, -0.0048280200000000 ] - [ -0.0004281100000000, -0.0005003800000000, 0.0001852100000000 ] - [ 0.0002945700000000, -0.0005202700000000, 0.0000014800000000 ] - [ 0.0005103500000000, -0.0000596800000000, -0.0001824900000000 ] - [ 0.0000319600000000, -0.0005234400000000, -0.0003741100000000 ] - [ 0.0000099600000000, -0.0006061000000000, -0.0003817700000000 ] - [ -0.0001221700000000, 0.0006790300000000, 0.0002175900000000 ] - [ 0.0001984700000000, 0.0004339600000000, -0.0006209400000000 ] - [ 0.0011811200000000, 0.0003376900000000, -0.0047142500000000 ] - [ -0.0003398800000000, 0.0001246100000000, 0.0000795700000000 ] - [ 0.0000929000000000, 0.0001890800000000, 0.0002703100000000 ] - [ 0.0000761800000000, 0.0001706900000000, 0.0003540100000000 ] - [ -0.0000181300000000, 0.0004820600000000, -0.0002230800000000 ] - [ -0.0000257900000000, 0.0005526100000000, -0.0002065600000000 ] - [ -0.0004773200000000, 0.0021385500000000, 0.0001996700000000 ] - [ -0.0002002200000000, -0.0002107700000000, 0.0001173100000000 ] - [ 0.0003793900000000, -0.0001315800000000, -0.0000124100000000 ] - [ 0.0003841900000000, -0.0000696300000000, -0.0000168100000000 ] - [ 0.0000799300000000, 0.0000745100000000, -0.0045664800000000 ] - [ -0.0003856300000000, -0.0002109500000000, -0.0000889600000000 ] - [ -0.0000082100000000, -0.0005195600000000, 0.0005467100000000 ] - [ 0.0000857400000000, 0.0000518300000000, 0.0006349400000000 ] - [ -0.0015122700000000, 0.0002232700000000, 0.0052532300000000 ] - [ 0.0001985700000000, 0.0001130900000000, -0.0001381800000000 ] - [ 0.0003768300000000, -0.0013875000000000, -0.0000751200000000 ] - [ -0.0000482300000000, 0.0006128100000000, -0.0002508800000000 ] - [ 0.0008740400000000, -0.0009726600000000, 0.0008649500000000 ] - [ 0.0002628900000000, 0.0001401700000000, 0.0009964700000000 ]- atom: 25 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0016286400000000, -0.0105803300000000, -0.0076736100000000 ] - [ 0.0026830500000000, 0.0013122500000000, 0.0004911500000000 ] - [ 0.0004391700000000, 0.0015687300000000, 0.0001477800000000 ] - [ 0.0002880500000000, -0.0007573500000000, -0.0001803500000000 ] - [ -0.0086956900000000, -0.0014141400000000, 0.0010627300000000 ] - [ 0.0022257400000000, 0.0011736400000000, 0.0005012600000000 ] - [ 0.0043476400000000, 0.0007002900000000, 0.0070022100000000 ] - [ 0.0014675700000000, 0.0008426000000000, 0.0003171800000000 ] - [ -0.0011945000000000, 0.0000010000000000, 0.0001734900000000 ] - [ 0.0001181700000000, -0.0000492500000000, 0.0005196900000000 ] - [ 0.0117351400000000, 0.0008694200000000, -0.0057608000000000 ] - [ 0.0106673800000000, 0.0014331000000000, 0.0025173800000000 ] - [ -0.0002818000000000, -0.0006775700000000, 0.0001679700000000 ] - [ 0.0004929600000000, 0.0016394100000000, 0.0001841600000000 ] - [ -0.0003728200000000, 0.0002589300000000, -0.0004937400000000 ] - [ 0.0007818800000000, 0.0002488900000000, -0.0001938000000000 ] - [ -0.0035054800000000, 0.0038031500000000, 0.0022077600000000 ] - [ 0.0019746600000000, -0.0005802700000000, 0.0007714700000000 ] - [ -0.0024833500000000, 0.0068746300000000, -0.0045211800000000 ] - [ 0.0026052800000000, -0.0006319000000000, 0.0004533500000000 ] - [ 0.0002977900000000, -0.0007972300000000, 0.0001436200000000 ] - [ 0.0005325600000000, 0.0013053800000000, 0.0003765100000000 ] - [ 0.0004887000000000, 0.0016959900000000, 0.0001183100000000 ] - [ 0.0004847800000000, -0.0007250800000000, 0.0004245200000000 ] - [ -0.1162780800000000, -0.0059964100000000, 0.0056024800000000 ] - [ 0.0028042900000000, -0.0000584100000000, 0.0003525300000000 ] - [ 0.0023408400000000, 0.0062397300000000, 0.0011556500000000 ] - [ 0.0027485700000000, -0.0017253000000000, 0.0002973700000000 ] - [ -0.0044818000000000, -0.0007788500000000, -0.0103108800000000 ] - [ 0.0023816000000000, -0.0006737000000000, 0.0012002600000000 ] - [ -0.0000127300000000, -0.0007601800000000, -0.0002633900000000 ] - [ 0.0007980400000000, -0.0007014400000000, 0.0000129200000000 ] - [ 0.0031272800000000, -0.0110479800000000, 0.0008176400000000 ] - [ 0.0030265800000000, 0.0008208200000000, 0.0005903100000000 ] - [ -0.0021910100000000, -0.0003087800000000, 0.0001707700000000 ] - [ 0.0001180000000000, -0.0000618600000000, 0.0008132000000000 ] - [ -0.0020833800000000, -0.0003611100000000, -0.0007075200000000 ] - [ 0.0005056400000000, -0.0004307400000000, 0.0001164000000000 ] - [ -0.0006016500000000, 0.0013776600000000, -0.0010357600000000 ] - [ 0.0021157200000000, -0.0017492000000000, 0.0009609800000000 ] - [ 0.0000325500000000, -0.0020023400000000, -0.0014422100000000 ] - [ 0.0027897100000000, 0.0012259200000000, 0.0003420600000000 ] - [ -0.0002633500000000, 0.0000279300000000, 0.0000127500000000 ] - [ 0.0005802800000000, -0.0000075200000000, 0.0001793400000000 ] - [ -0.0016183000000000, -0.0002651600000000, -0.0002293900000000 ] - [ 0.0006857300000000, -0.0004527700000000, 0.0003276900000000 ] - [ -0.0022936300000000, -0.0006899900000000, -0.0007246000000000 ] - [ 0.0002825400000000, -0.0006654100000000, -0.0001367500000000 ] - [ -0.0010941700000000, -0.0010544100000000, -0.0002577800000000 ] - [ -0.0011389900000000, 0.0012420300000000, -0.0000401000000000 ] - [ 0.0300281800000000, -0.0104744700000000, 0.0099724900000000 ] - [ -0.0019670700000000, -0.0000885000000000, -0.0000302300000000 ] - [ 0.0014818800000000, 0.0004430400000000, 0.0018220400000000 ] - [ -0.0016073600000000, -0.0004982300000000, -0.0008053900000000 ] - [ -0.0002920800000000, 0.0003404900000000, 0.0002760700000000 ] - [ -0.0003380300000000, -0.0014255500000000, 0.0002344100000000 ] - [ 0.0001009400000000, -0.0002935000000000, -0.0000734500000000 ] - [ -0.0004653900000000, -0.0001541300000000, -0.0001771600000000 ] - [ 0.0156544800000000, 0.0004038300000000, -0.0086964700000000 ] - [ -0.0013826400000000, 0.0000135100000000, -0.0011127100000000 ] - [ -0.0001241100000000, 0.0020542500000000, -0.0017722900000000 ] - [ -0.0008088400000000, -0.0011220500000000, -0.0001171300000000 ] - [ 0.0000458000000000, -0.0011609500000000, -0.0006407100000000 ] - [ -0.0007029100000000, 0.0006680100000000, 0.0000698500000000 ] - [ 0.0170705100000000, 0.0190090600000000, 0.0036554400000000 ] - [ -0.0016555500000000, -0.0006813400000000, -0.0005339900000000 ] - [ 0.0010303700000000, -0.0013117800000000, 0.0001674900000000 ] - [ -0.0000165100000000, 0.0004020000000000, -0.0000230800000000 ] - [ 0.0006000600000000, -0.0000266300000000, 0.0000109500000000 ] - [ -0.0002084700000000, -0.0000120500000000, -0.0002460200000000 ] - [ -0.0000664300000000, 0.0004316600000000, 0.0003379100000000 ] - [ -0.0007458700000000, 0.0000221500000000, 0.0001339900000000 ] - [ 0.0008353200000000, -0.0004164800000000, 0.0004438400000000 ] - [ -0.0005029700000000, 0.0006135700000000, -0.0001067200000000 ] - [ 0.0018303200000000, -0.0000172900000000, 0.0020194900000000 ] - [ -0.0016619000000000, 0.0001025700000000, -0.0010472600000000 ] - [ 0.0010398900000000, -0.0014220800000000, 0.0000089000000000 ] - [ -0.0004048200000000, 0.0003167700000000, -0.0003606000000000 ] - [ 0.0006141200000000, -0.0001223200000000, 0.0002016100000000 ] - [ -0.0003401700000000, -0.0004021800000000, -0.0001193800000000 ] - [ -0.0014407800000000, 0.0010587400000000, 0.0000737700000000 ] - [ -0.0013795700000000, -0.0017347300000000, -0.0016679800000000 ] - [ -0.0013856900000000, 0.0026862700000000, 0.0027142100000000 ] - [ -0.0018462900000000, -0.0011632800000000, -0.0000901300000000 ] - [ 0.0018413900000000, 0.0000945600000000, 0.0014051800000000 ] - [ -0.0015836100000000, 0.0000068300000000, -0.0006735500000000 ] - [ 0.0005178100000000, -0.0009720900000000, 0.0003779200000000 ] - [ 0.0002694800000000, -0.0002950000000000, 0.0003163100000000 ] - [ 0.0011402900000000, 0.0003712700000000, 0.0016723400000000 ] - [ -0.0016616700000000, 0.0007820900000000, -0.0007376800000000 ] - [ 0.0002780500000000, -0.0007411900000000, -0.0001493300000000 ] - [ -0.0006684600000000, 0.0005382700000000, -0.0004633400000000 ] - [ -0.0012765400000000, -0.0021942700000000, 0.0014000400000000 ] - [ -0.0020669400000000, 0.0011470900000000, -0.0003492300000000 ] - [ -0.0001956700000000, 0.0004295100000000, -0.0000296000000000 ] - [ -0.0000829500000000, -0.0000060000000000, 0.0000144500000000 ] - [ 0.0012667400000000, 0.0001746600000000, 0.0000603900000000 ] - [ 0.0002462800000000, 0.0002143000000000, -0.0001608600000000 ] - [ -0.0000293700000000, -0.0000491900000000, 0.0006962400000000 ] - [ -0.0005781200000000, -0.0001679900000000, 0.0005748400000000 ] - [ 0.0004464200000000, 0.0000813800000000, 0.0001457900000000 ] - [ -0.0003368500000000, 0.0000882900000000, -0.0000326100000000 ] - [ 0.0001077900000000, 0.0002875300000000, 0.0001465700000000 ] - [ 0.0000669300000000, 0.0008422600000000, 0.0001567200000000 ] - [ -0.0034118200000000, 0.0019287800000000, -0.0010481800000000 ] - [ -0.0018492100000000, -0.0018410300000000, 0.0007202200000000 ] - [ 0.0003195100000000, 0.0002490400000000, -0.0005554700000000 ] - [ -0.0005050300000000, -0.0000561000000000, -0.0007673300000000 ] - [ 0.0000874000000000, -0.0014533600000000, 0.0005440000000000 ] - [ -0.0011439700000000, 0.0005211700000000, -0.0016487100000000 ] - [ -0.0003014300000000, 0.0020091600000000, 0.0001156400000000 ] - [ -0.0003460300000000, -0.0003555100000000, 0.0001846000000000 ] - [ 0.0012686900000000, -0.0003378600000000, -0.0001712600000000 ] - [ 0.0002952700000000, -0.0002500000000000, -0.0003886800000000 ] - [ -0.0029974000000000, -0.0025059200000000, -0.0012083600000000 ] - [ -0.0020665800000000, 0.0008520400000000, 0.0008482400000000 ] - [ 0.0141562500000000, -0.0003118600000000, -0.0095579400000000 ] - [ -0.0016127400000000, -0.0004795800000000, -0.0000892500000000 ] - [ 0.0004982700000000, -0.0004581100000000, -0.0001617300000000 ] - [ 0.0001957300000000, -0.0005522700000000, -0.0002652400000000 ] - [ 0.0005199800000000, 0.0004233000000000, 0.0003008300000000 ] - [ -0.0005656700000000, -0.0009155300000000, -0.0006624200000000 ] - [ -0.0000987400000000, 0.0008488600000000, 0.0002629300000000 ] - [ 0.0000775600000000, 0.0004269900000000, 0.0003015000000000 ] - [ 0.0015453700000000, 0.0007049200000000, 0.0007199900000000 ] - [ -0.0011367200000000, -0.0000008400000000, -0.0005756400000000 ] - [ -0.0004480500000000, -0.0004679500000000, 0.0002019000000000 ] - [ 0.0001695700000000, 0.0011759400000000, -0.0001014900000000 ] - [ 0.0017907200000000, 0.0018324700000000, -0.0001163300000000 ] - [ -0.0006738900000000, 0.0002159100000000, -0.0002315800000000 ] - [ 0.0001333700000000, -0.0003962900000000, 0.0002182500000000 ] - [ -0.0005087700000000, -0.0000797500000000, 0.0000205700000000 ] - [ 0.0007253900000000, 0.0001868000000000, 0.0000526500000000 ] - [ 0.0000172400000000, -0.0002408300000000, -0.0000904700000000 ] - [ 0.0024825400000000, 0.0012550600000000, 0.0006992100000000 ] - [ -0.0014187600000000, -0.0003499000000000, 0.0001238000000000 ] - [ 0.0131255600000000, 0.0055885400000000, 0.0024761600000000 ] - [ -0.0014532300000000, -0.0000089400000000, 0.0004703600000000 ] - [ 0.0010509900000000, -0.0001784300000000, 0.0001009300000000 ] - [ -0.0004519500000000, 0.0003350000000000, -0.0003226900000000 ] - [ 0.0197322200000000, -0.0030223300000000, 0.0037501100000000 ] - [ -0.0021400400000000, 0.0000200900000000, -0.0004984200000000 ] - [ 0.0006554500000000, 0.0003039100000000, 0.0005680300000000 ] - [ -0.0001550000000000, 0.0000568600000000, 0.0003279000000000 ]- atom: 25 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0012651300000000, 0.0112520100000000, 0.0071933400000000 ] - [ -0.0030854400000000, -0.0006656000000000, -0.0010011500000000 ] - [ -0.0002319000000000, -0.0008201100000000, -0.0004117000000000 ] - [ -0.0000721800000000, 0.0015058500000000, -0.0000807100000000 ] - [ 0.0087818800000000, 0.0028270200000000, -0.0011724600000000 ] - [ -0.0021630200000000, 0.0002864900000000, -0.0006442600000000 ] - [ -0.0047555800000000, -0.0001226300000000, -0.0062860200000000 ] - [ -0.0018684500000000, -0.0002524500000000, 0.0003874500000000 ] - [ 0.0001474200000000, 0.0000032600000000, 0.0005293300000000 ] - [ -0.0011656400000000, 0.0000532400000000, 0.0001833300000000 ] - [ -0.0105897600000000, -0.0008696800000000, 0.0050011200000000 ] - [ -0.0096808600000000, -0.0014200000000000, -0.0032489700000000 ] - [ 0.0002171100000000, 0.0021307000000000, -0.0000259100000000 ] - [ -0.0005506100000000, -0.0001864300000000, -0.0000383500000000 ] - [ 0.0007842700000000, 0.0003292800000000, -0.0001988400000000 ] - [ -0.0003714300000000, 0.0003400000000000, -0.0004992900000000 ] - [ 0.0033108300000000, -0.0030355000000000, -0.0019220100000000 ] - [ -0.0021845800000000, 0.0013233500000000, -0.0005078500000000 ] - [ 0.0021407400000000, -0.0058514000000000, 0.0040011300000000 ] - [ -0.0029807800000000, 0.0016498300000000, -0.0009684800000000 ] - [ 0.0001086800000000, 0.0014339500000000, 0.0003694200000000 ] - [ -0.0001186600000000, -0.0006659500000000, 0.0001377000000000 ] - [ -0.0001147500000000, -0.0006712900000000, 0.0003980900000000 ] - [ -0.0001018700000000, 0.0017485000000000, 0.0000933700000000 ] - [ 0.1151322300000000, 0.0065404200000000, -0.0062450000000000 ] - [ -0.0031081100000000, 0.0001346600000000, -0.0005365900000000 ] - [ -0.0013947600000000, -0.0069174400000000, -0.0008070400000000 ] - [ -0.0017674300000000, 0.0010258700000000, 0.0000488500000000 ] - [ 0.0037126400000000, -0.0006118700000000, 0.0105687700000000 ] - [ -0.0031504500000000, -0.0007189400000000, -0.0009417500000000 ] - [ 0.0007857400000000, -0.0006333600000000, 0.0000026200000000 ] - [ -0.0000212700000000, -0.0006914700000000, -0.0002726400000000 ] - [ -0.0017195800000000, 0.0096498100000000, -0.0000825100000000 ] - [ -0.0016242900000000, -0.0022010400000000, 0.0001343500000000 ] - [ 0.0004668900000000, 0.0001486200000000, 0.0008817100000000 ] - [ -0.0018407200000000, -0.0000932000000000, 0.0002401800000000 ] - [ 0.0011047300000000, -0.0003449700000000, 0.0003657100000000 ] - [ -0.0014806900000000, -0.0002829000000000, -0.0004569700000000 ] - [ 0.0011836100000000, -0.0020594000000000, 0.0008859100000000 ] - [ -0.0015190100000000, 0.0010720000000000, -0.0011004000000000 ] - [ 0.0016865200000000, 0.0018376700000000, 0.0003740400000000 ] - [ -0.0010611000000000, -0.0013976100000000, -0.0014017300000000 ] - [ 0.0005637200000000, 0.0000520600000000, 0.0001780600000000 ] - [ -0.0002755100000000, 0.0000884900000000, 0.0000130200000000 ] - [ 0.0010210900000000, -0.0004204400000000, 0.0003799800000000 ] - [ -0.0012799100000000, -0.0002374500000000, -0.0001763800000000 ] - [ 0.0008886600000000, -0.0006857900000000, -0.0000031300000000 ] - [ -0.0016866000000000, -0.0007024400000000, -0.0005901000000000 ] - [ -0.0000213300000000, 0.0011153000000000, 0.0000960800000000 ] - [ 0.0000165000000000, -0.0011774600000000, -0.0001229100000000 ] - [ -0.0286475500000000, 0.0094079600000000, -0.0088506800000000 ] - [ 0.0016343100000000, 0.0000556500000000, 0.0002862000000000 ] - [ -0.0012626800000000, -0.0000648500000000, -0.0018472000000000 ] - [ 0.0018390300000000, 0.0008715500000000, 0.0007826100000000 ] - [ 0.0002635400000000, -0.0015603000000000, 0.0004763100000000 ] - [ 0.0003038200000000, 0.0002053000000000, 0.0005153700000000 ] - [ -0.0004906900000000, -0.0001421700000000, -0.0001726700000000 ] - [ 0.0000756900000000, -0.0002801300000000, -0.0000689400000000 ] - [ -0.0149054600000000, -0.0006058500000000, 0.0070064600000000 ] - [ 0.0020115400000000, -0.0002705500000000, -0.0001638600000000 ] - [ -0.0000000200000000, -0.0027495400000000, 0.0017755200000000 ] - [ 0.0006803500000000, 0.0004275800000000, 0.0001175300000000 ] - [ -0.0002431400000000, 0.0014582900000000, 0.0009840100000000 ] - [ 0.0004949400000000, -0.0003740000000000, 0.0002672400000000 ] - [ -0.0178919000000000, -0.0207375600000000, -0.0044622800000000 ] - [ 0.0008009300000000, -0.0005869800000000, -0.0001869600000000 ] - [ 0.0000857900000000, 0.0013697600000000, -0.0000039400000000 ] - [ 0.0011371800000000, -0.0003337400000000, 0.0001865300000000 ] - [ -0.0002618500000000, -0.0000058600000000, -0.0002669000000000 ] - [ 0.0005457800000000, -0.0000217900000000, -0.0000105300000000 ] - [ -0.0007180500000000, -0.0000818700000000, 0.0001330600000000 ] - [ -0.0000367600000000, 0.0003263100000000, 0.0003374600000000 ] - [ -0.0005668500000000, 0.0008383500000000, -0.0001739000000000 ] - [ 0.0007669300000000, -0.0001930500000000, 0.0003742000000000 ] - [ -0.0023002600000000, 0.0003211900000000, -0.0029204600000000 ] - [ 0.0011847500000000, 0.0001880900000000, 0.0001438300000000 ] - [ -0.0003366500000000, 0.0012165100000000, -0.0004829300000000 ] - [ 0.0011007000000000, -0.0005298100000000, -0.0001123200000000 ] - [ -0.0004834800000000, -0.0005728800000000, -0.0002034400000000 ] - [ 0.0004698200000000, -0.0002964700000000, 0.0001182700000000 ] - [ 0.0006701800000000, -0.0011956700000000, -0.0000458400000000 ] - [ 0.0006035000000000, 0.0016046100000000, 0.0016987600000000 ] - [ -0.0000137000000000, -0.0032678800000000, -0.0021394900000000 ] - [ 0.0004466800000000, 0.0005712000000000, 0.0006557900000000 ] - [ -0.0018922400000000, 0.0000505800000000, -0.0015051000000000 ] - [ 0.0015161300000000, 0.0001465800000000, 0.0005682200000000 ] - [ 0.0003398900000000, -0.0002983200000000, 0.0003446400000000 ] - [ 0.0005859900000000, -0.0009752400000000, 0.0004055700000000 ] - [ -0.0013619600000000, 0.0007106600000000, -0.0019911200000000 ] - [ 0.0014495000000000, 0.0003082800000000, 0.0004233100000000 ] - [ -0.0004406500000000, 0.0010457100000000, -0.0003742700000000 ] - [ 0.0005087200000000, -0.0002274700000000, -0.0000579700000000 ] - [ -0.0000452700000000, 0.0025313400000000, -0.0012788500000000 ] - [ 0.0007367400000000, -0.0008015500000000, 0.0004641000000000 ] - [ -0.0000349500000000, -0.0000541800000000, 0.0000516900000000 ] - [ -0.0001497700000000, 0.0003806600000000, 0.0000066900000000 ] - [ 0.0000648000000000, 0.0001739200000000, -0.0001723200000000 ] - [ 0.0010839000000000, 0.0001368100000000, 0.0000479300000000 ] - [ -0.0005948200000000, -0.0002070700000000, 0.0005831300000000 ] - [ -0.0000479000000000, -0.0000885100000000, 0.0007039900000000 ] - [ -0.0003764100000000, 0.0000706900000000, -0.0000371800000000 ] - [ 0.0004052200000000, 0.0000626200000000, 0.0001407600000000 ] - [ 0.0001059500000000, 0.0008007600000000, 0.0001688900000000 ] - [ 0.0001447500000000, 0.0002464700000000, 0.0001582000000000 ] - [ 0.0042051400000000, -0.0015751900000000, 0.0005728100000000 ] - [ 0.0026472300000000, 0.0022103400000000, -0.0012015200000000 ] - [ -0.0005183300000000, -0.0001830100000000, -0.0007951600000000 ] - [ 0.0003026200000000, 0.0001233700000000, -0.0005839500000000 ] - [ 0.0003085900000000, 0.0010133500000000, -0.0002899200000000 ] - [ 0.0015338000000000, -0.0009617600000000, 0.0018999500000000 ] - [ 0.0003400900000000, -0.0009084800000000, 0.0003049600000000 ] - [ 0.0003801400000000, 0.0014573300000000, 0.0002355600000000 ] - [ 0.0001340400000000, -0.0002566100000000, -0.0003902000000000 ] - [ 0.0011064200000000, -0.0003464900000000, -0.0001739100000000 ] - [ 0.0033749000000000, 0.0020901100000000, 0.0009696100000000 ] - [ 0.0024678500000000, -0.0012617300000000, -0.0010823000000000 ] - [ -0.0149562400000000, -0.0007143500000000, 0.0104285600000000 ] - [ 0.0009064600000000, -0.0005586200000000, 0.0005272100000000 ] - [ 0.0002099200000000, -0.0005795000000000, -0.0002755200000000 ] - [ 0.0005105700000000, -0.0004859000000000, -0.0001724700000000 ] - [ -0.0004880500000000, -0.0016435800000000, -0.0010544200000000 ] - [ 0.0005988800000000, -0.0003092800000000, -0.0000880100000000 ] - [ 0.0001410000000000, 0.0003754900000000, 0.0002960500000000 ] - [ -0.0000373200000000, 0.0007966700000000, 0.0002572200000000 ] - [ -0.0018029400000000, -0.0002844000000000, -0.0009847600000000 ] - [ 0.0008746500000000, 0.0004245200000000, 0.0003084400000000 ] - [ 0.0006116700000000, 0.0007744800000000, 0.0003228700000000 ] - [ -0.0000138600000000, -0.0008666800000000, 0.0006229800000000 ] - [ -0.0018317300000000, -0.0007298200000000, -0.0003024300000000 ] - [ 0.0006387700000000, 0.0008794100000000, -0.0001871000000000 ] - [ -0.0005273900000000, -0.0000051400000000, 0.0000105800000000 ] - [ 0.0001153000000000, -0.0003198000000000, 0.0002081900000000 ] - [ 0.0000470600000000, -0.0003285300000000, -0.0000740000000000 ] - [ 0.0007568000000000, 0.0000979400000000, 0.0000696600000000 ] - [ -0.0031691900000000, -0.0014699200000000, -0.0002232700000000 ] - [ 0.0007232800000000, 0.0001410500000000, 0.0003499400000000 ] - [ -0.0129408300000000, -0.0054152300000000, -0.0011064400000000 ] - [ 0.0016557900000000, 0.0000734800000000, 0.0008824000000000 ] - [ -0.0008400100000000, 0.0004727400000000, -0.0004378800000000 ] - [ 0.0006595600000000, -0.0000367900000000, -0.0000141900000000 ] - [ -0.0209586700000000, 0.0050727900000000, -0.0048017900000000 ] - [ 0.0020942600000000, 0.0012006600000000, -0.0000586300000000 ] - [ -0.0001767400000000, -0.0000132000000000, 0.0003371100000000 ] - [ 0.0006304000000000, 0.0002345700000000, 0.0005762100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0111506300000000, 0.0060743200000000, 0.0093730500000000 ] - [ 0.0006187500000000, -0.0007434100000000, 0.0000096900000000 ] - [ 0.0014352900000000, 0.0022912100000000, 0.0005047300000000 ] - [ -0.0009380900000000, 0.0021943400000000, -0.0004318700000000 ] - [ -0.0017748200000000, 0.0090839800000000, -0.0124593800000000 ] - [ 0.0002776000000000, -0.0000934800000000, -0.0000630700000000 ] - [ -0.0017659500000000, -0.0046268400000000, -0.0017737900000000 ] - [ -0.0000126900000000, -0.0042197300000000, 0.0003578600000000 ] - [ -0.0005944300000000, 0.0030059900000000, 0.0003720800000000 ] - [ -0.0005117800000000, 0.0014264100000000, 0.0003573900000000 ] - [ 0.0000552600000000, -0.0069070000000000, 0.0007726600000000 ] - [ -0.0006239300000000, -0.0065840000000000, -0.0004855500000000 ] - [ -0.0008964000000000, 0.0026623400000000, -0.0005171100000000 ] - [ 0.0010671400000000, 0.0024724500000000, 0.0003836700000000 ] - [ -0.0000119600000000, 0.0032182200000000, -0.0004929300000000 ] - [ 0.0002124700000000, 0.0017264000000000, -0.0003605200000000 ] - [ 0.0018119500000000, 0.0069060100000000, 0.0088291900000000 ] - [ -0.0006880100000000, 0.0000470100000000, -0.0000917900000000 ] - [ 0.0060525600000000, 0.0069401300000000, -0.0087232100000000 ] - [ -0.0010134600000000, 0.0001881800000000, -0.0004486600000000 ] - [ -0.0005588700000000, 0.0020584200000000, 0.0002758700000000 ] - [ 0.0014785800000000, 0.0027527400000000, 0.0005905200000000 ] - [ 0.0016920200000000, 0.0024385400000000, 0.0002347000000000 ] - [ -0.0011423900000000, 0.0025120700000000, -0.0001017900000000 ] - [ -0.0060244400000000, -0.1480572400000000, -0.0011515800000000 ] - [ -0.0002464000000000, -0.0014489200000000, -0.0000314700000000 ] - [ 0.0111109800000000, 0.0046549200000000, 0.0022436500000000 ] - [ -0.0009312400000000, -0.0007022800000000, -0.0000188800000000 ] - [ -0.0002558700000000, -0.0067734000000000, -0.0005367000000000 ] - [ -0.0005511600000000, -0.0021964600000000, 0.0000034500000000 ] - [ 0.0004013700000000, 0.0011905100000000, -0.0001580700000000 ] - [ 0.0003969700000000, 0.0008114200000000, -0.0001281400000000 ] - [ -0.0064442200000000, 0.0036330000000000, -0.0015448000000000 ] - [ 0.0022689600000000, -0.0012715300000000, 0.0006022300000000 ] - [ -0.0006633000000000, 0.0022596700000000, 0.0005485600000000 ] - [ -0.0009479900000000, 0.0006702700000000, 0.0004952500000000 ] - [ -0.0006474800000000, 0.0035745200000000, -0.0001733100000000 ] - [ -0.0003862500000000, 0.0003065800000000, -0.0001683200000000 ] - [ 0.0020786400000000, -0.0008669400000000, 0.0004822800000000 ] - [ -0.0010454800000000, -0.0008013800000000, -0.0006749800000000 ] - [ -0.0007475600000000, -0.0007524300000000, -0.0004185900000000 ] - [ 0.0023870800000000, -0.0006815800000000, 0.0000439900000000 ] - [ 0.0001643000000000, 0.0021674900000000, 0.0001074700000000 ] - [ 0.0001981100000000, 0.0015726100000000, 0.0001001700000000 ] - [ -0.0007458000000000, 0.0021172400000000, 0.0001642500000000 ] - [ -0.0002295600000000, 0.0003651500000000, 0.0001151100000000 ] - [ -0.0007125100000000, 0.0032492600000000, -0.0003365400000000 ] - [ -0.0007898300000000, 0.0000741800000000, -0.0003755800000000 ] - [ -0.0018058500000000, -0.0003399500000000, -0.0003909000000000 ] - [ 0.0009618000000000, -0.0008652700000000, 0.0001275000000000 ] - [ -0.0099209600000000, 0.0158255800000000, -0.0043951500000000 ] - [ -0.0005000700000000, 0.0010574700000000, -0.0000356900000000 ] - [ 0.0006535400000000, 0.0030205300000000, 0.0008431100000000 ] - [ 0.0002968400000000, 0.0012136100000000, -0.0000026900000000 ] - [ 0.0006467300000000, -0.0011659100000000, 0.0005636100000000 ] - [ -0.0012753000000000, -0.0013114000000000, -0.0000771600000000 ] - [ -0.0003517500000000, -0.0017196700000000, -0.0001038700000000 ] - [ -0.0002370200000000, -0.0008688700000000, -0.0000977500000000 ] - [ 0.0010584400000000, 0.0109194700000000, -0.0031248500000000 ] - [ 0.0004535600000000, 0.0005389800000000, -0.0005788100000000 ] - [ 0.0010313100000000, -0.0004798400000000, 0.0014366900000000 ] - [ -0.0006022400000000, 0.0001271000000000, -0.0001973900000000 ] - [ -0.0018498900000000, -0.0012409900000000, -0.0023047000000000 ] - [ 0.0003895200000000, 0.0002524700000000, 0.0002754700000000 ] - [ 0.0190863100000000, 0.0502216300000000, 0.0086616600000000 ] - [ -0.0001649800000000, -0.0000082700000000, -0.0003297300000000 ] - [ -0.0004967200000000, -0.0029132100000000, -0.0001400500000000 ] - [ 0.0008258800000000, -0.0001854700000000, 0.0000964100000000 ] - [ 0.0000383000000000, -0.0013831500000000, -0.0001909100000000 ] - [ 0.0001327500000000, -0.0006115000000000, -0.0001431900000000 ] - [ -0.0002409700000000, -0.0013388600000000, 0.0002070400000000 ] - [ -0.0007201800000000, -0.0004822500000000, 0.0001265000000000 ] - [ -0.0002600800000000, -0.0006986000000000, 0.0000465200000000 ] - [ 0.0006230600000000, -0.0001159500000000, 0.0002982600000000 ] - [ -0.0004999300000000, 0.0016459200000000, -0.0011067400000000 ] - [ 0.0000861900000000, 0.0006784700000000, -0.0003479900000000 ] - [ -0.0008608700000000, -0.0028860500000000, 0.0000475400000000 ] - [ 0.0008108300000000, -0.0004042600000000, -0.0001436300000000 ] - [ 0.0001141500000000, -0.0021210600000000, 0.0003671000000000 ] - [ 0.0000870100000000, -0.0007797800000000, -0.0000004600000000 ] - [ 0.0001604400000000, 0.0008115900000000, 0.0002043400000000 ] - [ -0.0029434800000000, 0.0017325100000000, -0.0017314400000000 ] - [ 0.0020483800000000, -0.0005706700000000, -0.0013203100000000 ] - [ -0.0012730600000000, 0.0003152600000000, 0.0001701500000000 ] - [ -0.0004287700000000, 0.0023283800000000, 0.0006236600000000 ] - [ -0.0004195400000000, 0.0010792900000000, -0.0001419500000000 ] - [ 0.0002836800000000, -0.0017558400000000, 0.0003229800000000 ] - [ 0.0007101700000000, -0.0016570900000000, 0.0004660800000000 ] - [ -0.0000825900000000, 0.0034563800000000, -0.0007636400000000 ] - [ 0.0002580200000000, 0.0011510100000000, -0.0000181400000000 ] - [ -0.0008164400000000, -0.0016831600000000, -0.0005856600000000 ] - [ 0.0002400900000000, -0.0000699600000000, -0.0001282600000000 ] - [ -0.0038722100000000, 0.0002644300000000, 0.0018866400000000 ] - [ 0.0000927100000000, 0.0004947300000000, 0.0002704500000000 ] - [ 0.0001062400000000, -0.0006803400000000, 0.0001414300000000 ] - [ -0.0001022200000000, -0.0008894700000000, 0.0000264900000000 ] - [ 0.0006186100000000, -0.0014597500000000, 0.0002832700000000 ] - [ 0.0005909100000000, -0.0002599700000000, -0.0000761100000000 ] - [ -0.0003453100000000, -0.0011050200000000, 0.0006423500000000 ] - [ -0.0004026400000000, -0.0008120300000000, 0.0006136300000000 ] - [ -0.0001603000000000, -0.0011150700000000, 0.0000265500000000 ] - [ -0.0000119900000000, -0.0005216300000000, 0.0000426400000000 ] - [ -0.0000079700000000, -0.0004273200000000, 0.0000862300000000 ] - [ 0.0003099400000000, -0.0005159900000000, 0.0001833800000000 ] - [ 0.0025699100000000, 0.0006750700000000, 0.0000545000000000 ] - [ -0.0026403800000000, 0.0018749400000000, 0.0001381500000000 ] - [ 0.0004330200000000, -0.0013566900000000, -0.0005790600000000 ] - [ -0.0003061700000000, -0.0005638300000000, -0.0006989500000000 ] - [ -0.0006456200000000, 0.0018859000000000, 0.0000400900000000 ] - [ 0.0009888200000000, 0.0012017900000000, 0.0011289800000000 ] - [ 0.0010387900000000, -0.0004060700000000, 0.0004170500000000 ] - [ -0.0009442400000000, -0.0000264300000000, 0.0001103500000000 ] - [ 0.0007807200000000, -0.0017461700000000, -0.0005774800000000 ] - [ 0.0007829500000000, -0.0007272900000000, -0.0002530300000000 ] - [ -0.0020359300000000, 0.0026613400000000, -0.0008339800000000 ] - [ 0.0019869000000000, 0.0013272200000000, -0.0004726300000000 ] - [ -0.0009105400000000, 0.0111531300000000, 0.0005647200000000 ] - [ -0.0003469900000000, 0.0003324800000000, 0.0001901100000000 ] - [ 0.0003072800000000, -0.0015459900000000, -0.0002324700000000 ] - [ 0.0002748700000000, -0.0015048900000000, -0.0002406800000000 ] - [ 0.0003226500000000, -0.0023367300000000, -0.0002454200000000 ] - [ -0.0002548700000000, -0.0006201600000000, -0.0004930300000000 ] - [ 0.0002616700000000, -0.0002395600000000, 0.0002974900000000 ] - [ -0.0000218900000000, -0.0003783000000000, 0.0002787000000000 ] - [ 0.0004928000000000, -0.0003996800000000, 0.0003780200000000 ] - [ -0.0003311600000000, 0.0001978100000000, -0.0001856200000000 ] - [ -0.0007444700000000, 0.0000406300000000, 0.0000243200000000 ] - [ 0.0016716500000000, -0.0007356200000000, 0.0009935800000000 ] - [ 0.0013122400000000, -0.0028962900000000, 0.0000699000000000 ] - [ -0.0002578500000000, 0.0005320400000000, -0.0002264100000000 ] - [ -0.0002951200000000, -0.0018677100000000, 0.0000343500000000 ] - [ -0.0000989300000000, -0.0008384500000000, 0.0001095200000000 ] - [ 0.0004182800000000, -0.0013416300000000, 0.0000765100000000 ] - [ 0.0000480100000000, -0.0007540400000000, -0.0000655200000000 ] - [ 0.0009076400000000, -0.0038564700000000, 0.0010535000000000 ] - [ -0.0005811500000000, -0.0001448700000000, 0.0001754700000000 ] - [ 0.0065341900000000, 0.0280609400000000, 0.0054254100000000 ] - [ 0.0004298200000000, 0.0005877700000000, 0.0007391200000000 ] - [ 0.0006336500000000, -0.0015539400000000, -0.0004631000000000 ] - [ 0.0000929700000000, -0.0001238400000000, -0.0001706800000000 ] - [ -0.0052365100000000, 0.0157620600000000, -0.0031507900000000 ] - [ -0.0000422200000000, 0.0014426700000000, -0.0002296400000000 ] - [ 0.0006510200000000, -0.0009196900000000, 0.0005478000000000 ] - [ 0.0000365900000000, -0.0004615900000000, 0.0003591500000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0106565700000000, -0.0054182600000000, -0.0098084400000000 ] - [ -0.0010241300000000, 0.0013765800000000, -0.0005223200000000 ] - [ -0.0012199300000000, -0.0015444100000000, -0.0007670700000000 ] - [ 0.0011468500000000, -0.0014490900000000, 0.0001667400000000 ] - [ 0.0018178100000000, -0.0075815400000000, 0.0122036800000000 ] - [ -0.0002128800000000, 0.0015431800000000, -0.0000801100000000 ] - [ 0.0013397300000000, 0.0052138000000000, 0.0024525400000000 ] - [ -0.0003845500000000, 0.0048134100000000, 0.0003373400000000 ] - [ -0.0004547300000000, -0.0030020000000000, 0.0003298400000000 ] - [ -0.0005357500000000, -0.0014218900000000, 0.0003444400000000 ] - [ 0.0009572300000000, 0.0069086000000000, -0.0014695900000000 ] - [ 0.0016969500000000, 0.0065955800000000, -0.0002111100000000 ] - [ 0.0008382900000000, -0.0012061000000000, 0.0006623800000000 ] - [ -0.0011315300000000, -0.0010157900000000, -0.0002417800000000 ] - [ 0.0004204100000000, -0.0026292600000000, -0.0002020100000000 ] - [ 0.0001983700000000, -0.0011378900000000, -0.0003331800000000 ] - [ -0.0020417300000000, -0.0061754100000000, -0.0085998800000000 ] - [ 0.0004772600000000, 0.0007062700000000, 0.0003548800000000 ] - [ -0.0064797200000000, -0.0059480300000000, 0.0082495300000000 ] - [ 0.0006364500000000, 0.0008400000000000, -0.0000684400000000 ] - [ 0.0009708000000000, -0.0014185400000000, 0.0002363500000000 ] - [ -0.0010733200000000, -0.0021127600000000, -0.0000791600000000 ] - [ -0.0013106700000000, -0.0014167500000000, 0.0002809700000000 ] - [ 0.0015149300000000, -0.0014912700000000, 0.0006164700000000 ] - [ 0.0065982700000000, 0.1490347300000000, 0.0013739800000000 ] - [ -0.0000572200000000, 0.0015254800000000, -0.0001544100000000 ] - [ -0.0100930800000000, -0.0053398600000000, -0.0018907300000000 ] - [ 0.0019109600000000, -0.0000123000000000, 0.0003616600000000 ] - [ -0.0005122700000000, 0.0053799400000000, 0.0007946600000000 ] - [ -0.0002193900000000, 0.0008025200000000, 0.0002539200000000 ] - [ 0.0003752000000000, -0.0025841900000000, -0.0001025200000000 ] - [ 0.0003770600000000, -0.0022044300000000, -0.0001332100000000 ] - [ 0.0079072100000000, -0.0049974900000000, 0.0022878100000000 ] - [ -0.0008629500000000, -0.0000954000000000, 0.0001158300000000 ] - [ -0.0010595400000000, -0.0024170400000000, 0.0005039500000000 ] - [ -0.0007757500000000, -0.0008295500000000, 0.0005573000000000 ] - [ -0.0003295300000000, -0.0042955600000000, -0.0001704800000000 ] - [ -0.0005870200000000, -0.0010175600000000, -0.0001729500000000 ] - [ -0.0014846900000000, 0.0001750600000000, -0.0006221500000000 ] - [ 0.0016368800000000, 0.0001110300000000, 0.0005347900000000 ] - [ 0.0024779100000000, 0.0006010100000000, -0.0006466100000000 ] - [ -0.0006603500000000, 0.0005206600000000, -0.0011039300000000 ] - [ 0.0001399200000000, -0.0020878100000000, 0.0000830800000000 ] - [ 0.0001020500000000, -0.0014944600000000, 0.0000889800000000 ] - [ 0.0001494000000000, -0.0028043600000000, -0.0000163200000000 ] - [ -0.0003645900000000, -0.0010511600000000, 0.0000350200000000 ] - [ -0.0006931400000000, -0.0046094700000000, -0.0003956600000000 ] - [ -0.0006165000000000, -0.0014463600000000, -0.0003533000000000 ] - [ 0.0006851300000000, 0.0004057700000000, 0.0002259600000000 ] - [ -0.0020746600000000, 0.0009305400000000, -0.0002904300000000 ] - [ 0.0099634600000000, -0.0159540100000000, 0.0048219100000000 ] - [ 0.0001643300000000, -0.0010909100000000, 0.0002923500000000 ] - [ -0.0004313000000000, -0.0026290700000000, -0.0008648600000000 ] - [ -0.0000628600000000, -0.0008376000000000, -0.0000179700000000 ] - [ -0.0006770500000000, -0.0000600200000000, 0.0001856100000000 ] - [ 0.0012501400000000, 0.0000866800000000, 0.0008269100000000 ] - [ -0.0000390100000000, 0.0012844100000000, -0.0001447300000000 ] - [ -0.0001546600000000, 0.0004325000000000, -0.0001511100000000 ] - [ -0.0005068800000000, -0.0112175800000000, 0.0019894200000000 ] - [ 0.0001715400000000, -0.0007946000000000, -0.0007001000000000 ] - [ -0.0011608700000000, -0.0002281400000000, -0.0014358500000000 ] - [ 0.0004764900000000, -0.0008281500000000, 0.0001992300000000 ] - [ 0.0016431600000000, 0.0015333400000000, 0.0026355600000000 ] - [ -0.0005922900000000, 0.0000440200000000, 0.0000623700000000 ] - [ -0.0215603500000000, -0.0546569700000000, -0.0101236300000000 ] - [ -0.0006898100000000, -0.0012612500000000, -0.0003925000000000 ] - [ 0.0016203900000000, 0.0029753300000000, 0.0003059600000000 ] - [ 0.0002923600000000, 0.0002479700000000, 0.0000666700000000 ] - [ 0.0002982000000000, 0.0013506000000000, -0.0000664700000000 ] - [ 0.0002043600000000, 0.0005798300000000, -0.0001141800000000 ] - [ -0.0005424600000000, 0.0016882500000000, 0.0002632400000000 ] - [ -0.0000653100000000, 0.0008336000000000, 0.0003432600000000 ] - [ 0.0005238700000000, 0.0011204900000000, 0.0002222600000000 ] - [ -0.0003572300000000, 0.0005380200000000, -0.0000294800000000 ] - [ 0.0000256400000000, -0.0013348200000000, 0.0002007100000000 ] - [ -0.0005640900000000, -0.0003871500000000, -0.0005547600000000 ] - [ 0.0015552100000000, 0.0026722500000000, -0.0005240600000000 ] - [ -0.0001126300000000, 0.0001932700000000, -0.0003316400000000 ] - [ 0.0000139100000000, 0.0014208600000000, -0.0003682000000000 ] - [ 0.0000406200000000, 0.0000831200000000, -0.0000021800000000 ] - [ -0.0009283100000000, -0.0009577800000000, -0.0001808700000000 ] - [ 0.0021777000000000, -0.0018800200000000, 0.0017568300000000 ] - [ -0.0034652300000000, -0.0000296800000000, 0.0018907000000000 ] - [ -0.0001255700000000, -0.0009115800000000, 0.0003933800000000 ] - [ 0.0003724100000000, -0.0021905900000000, -0.0007281100000000 ] - [ 0.0003518900000000, -0.0009270100000000, 0.0000339400000000 ] - [ 0.0005729400000000, 0.0004884200000000, 0.0003977700000000 ] - [ 0.0001483400000000, 0.0003897500000000, 0.0002550800000000 ] - [ -0.0001371300000000, -0.0023856300000000, 0.0004496800000000 ] - [ -0.0004684600000000, -0.0000627600000000, -0.0002966600000000 ] - [ 0.0006575500000000, 0.0019907300000000, 0.0000596700000000 ] - [ -0.0004026900000000, 0.0003750500000000, -0.0003964300000000 ] - [ 0.0025317300000000, 0.0000873600000000, -0.0017623300000000 ] - [ -0.0014222900000000, -0.0001439900000000, -0.0001572500000000 ] - [ -0.0003373600000000, 0.0010538800000000, -0.0001219800000000 ] - [ -0.0001269300000000, 0.0012627000000000, -0.0000063300000000 ] - [ 0.0007127000000000, 0.0018099200000000, -0.0003995100000000 ] - [ 0.0007391300000000, 0.0006059800000000, -0.0000382000000000 ] - [ -0.0002795300000000, 0.0008488900000000, 0.0006351800000000 ] - [ -0.0002209000000000, 0.0005557500000000, 0.0006645600000000 ] - [ 0.0002290100000000, 0.0012675900000000, 0.0000807300000000 ] - [ 0.0000812900000000, 0.0006745800000000, 0.0000648000000000 ] - [ 0.0002206800000000, 0.0015179700000000, 0.0002281200000000 ] - [ -0.0000954200000000, 0.0016065300000000, 0.0001316900000000 ] - [ -0.0017710100000000, -0.0003330800000000, -0.0005253800000000 ] - [ 0.0034328000000000, -0.0015338700000000, -0.0006105800000000 ] - [ -0.0006354900000000, 0.0014237300000000, -0.0007712800000000 ] - [ 0.0001066900000000, 0.0006274900000000, -0.0006507600000000 ] - [ 0.0010408800000000, -0.0023150800000000, 0.0002076000000000 ] - [ -0.0005983900000000, -0.0016350900000000, -0.0008844500000000 ] - [ -0.0010049000000000, 0.0015003400000000, 0.0000031700000000 ] - [ 0.0009849700000000, 0.0011211100000000, 0.0003119200000000 ] - [ 0.0006199400000000, 0.0011510700000000, 0.0000121100000000 ] - [ 0.0006176000000000, 0.0001347800000000, -0.0003111200000000 ] - [ 0.0024276800000000, -0.0030527800000000, 0.0006037100000000 ] - [ -0.0015923300000000, -0.0017240400000000, 0.0002447500000000 ] - [ 0.0003052000000000, -0.0122001300000000, -0.0003488700000000 ] - [ -0.0003599300000000, -0.0013710000000000, 0.0002469300000000 ] - [ 0.0004011500000000, 0.0005073800000000, -0.0002052500000000 ] - [ 0.0004351200000000, 0.0004659900000000, -0.0001969900000000 ] - [ -0.0002913800000000, 0.0011108700000000, -0.0005028200000000 ] - [ 0.0002856800000000, -0.0006016400000000, -0.0002570900000000 ] - [ -0.0002198000000000, 0.0014620000000000, 0.0002615100000000 ] - [ 0.0000662300000000, 0.0016004300000000, 0.0002808800000000 ] - [ -0.0007555000000000, 0.0008166400000000, -0.0006500700000000 ] - [ 0.0000705500000000, 0.0002209200000000, -0.0000839800000000 ] - [ 0.0009055600000000, 0.0002684800000000, 0.0004990600000000 ] - [ -0.0015031000000000, 0.0010441300000000, -0.0004683700000000 ] - [ -0.0013422200000000, 0.0039807500000000, -0.0004914000000000 ] - [ 0.0002212700000000, 0.0005663700000000, -0.0001955400000000 ] - [ -0.0000990900000000, 0.0014658000000000, 0.0001945600000000 ] - [ -0.0002971500000000, 0.0004346600000000, 0.0001187100000000 ] - [ 0.0003551600000000, 0.0012012500000000, -0.0000989200000000 ] - [ 0.0007236100000000, 0.0006140000000000, 0.0000426800000000 ] - [ -0.0016091100000000, 0.0036664700000000, -0.0005842500000000 ] - [ -0.0001140000000000, -0.0000691500000000, 0.0002988900000000 ] - [ -0.0055704000000000, -0.0258228100000000, -0.0036061600000000 ] - [ -0.0002273300000000, -0.0005218200000000, 0.0006107400000000 ] - [ -0.0004278500000000, 0.0018499600000000, 0.0001274900000000 ] - [ 0.0001128900000000, 0.0004160700000000, -0.0001675800000000 ] - [ 0.0047493200000000, -0.0142888600000000, 0.0024143000000000 ] - [ 0.0000033200000000, -0.0002173300000000, -0.0003294700000000 ] - [ -0.0001738300000000, 0.0012083700000000, 0.0003538200000000 ] - [ 0.0004427400000000, 0.0007491000000000, 0.0005429400000000 ]- atom: 25 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0069910300000000, 0.0127381600000000, 0.0008898500000000 ] - [ -0.0002237300000000, 0.0002966600000000, -0.0004439600000000 ] - [ 0.0002375200000000, 0.0004921700000000, -0.0000579800000000 ] - [ -0.0000261600000000, 0.0004464700000000, 0.0002355500000000 ] - [ 0.0030435100000000, -0.0099628000000000, 0.0030010300000000 ] - [ -0.0001333500000000, 0.0006612500000000, 0.0000095100000000 ] - [ 0.0027832100000000, 0.0000645500000000, 0.0022473000000000 ] - [ -0.0014440700000000, 0.0002768500000000, 0.0028218000000000 ] - [ -0.0005123200000000, 0.0000054800000000, 0.0003571500000000 ] - [ -0.0005440200000000, -0.0000069300000000, 0.0003386500000000 ] - [ -0.0071733300000000, 0.0007643900000000, -0.0019678900000000 ] - [ 0.0013824900000000, 0.0002875900000000, -0.0023852200000000 ] - [ 0.0000451800000000, 0.0005973800000000, 0.0001120100000000 ] - [ -0.0001113600000000, 0.0006823000000000, 0.0002217000000000 ] - [ 0.0002435000000000, 0.0002578500000000, -0.0003387600000000 ] - [ 0.0001822800000000, 0.0002817300000000, -0.0003440000000000 ] - [ 0.0013180600000000, 0.0048156200000000, 0.0018504600000000 ] - [ -0.0002364500000000, 0.0004489700000000, 0.0002298000000000 ] - [ -0.0023700700000000, -0.0065498900000000, -0.0002842400000000 ] - [ -0.0001886200000000, 0.0005223400000000, -0.0003518900000000 ] - [ 0.0001544500000000, 0.0004611500000000, 0.0002224600000000 ] - [ 0.0002360200000000, 0.0003037800000000, 0.0001025600000000 ] - [ 0.0001031900000000, 0.0001910700000000, 0.0001743500000000 ] - [ 0.0002239000000000, 0.0005483200000000, -0.0000974300000000 ] - [ 0.0353252100000000, 0.0001124700000000, -0.1082313800000000 ] - [ -0.0004810200000000, 0.0001201500000000, -0.0002497300000000 ] - [ 0.0018992700000000, -0.0000829400000000, -0.0017811000000000 ] - [ -0.0000187000000000, -0.0001422600000000, -0.0000564800000000 ] - [ -0.0040426700000000, -0.0000181000000000, 0.0247917200000000 ] - [ -0.0002722200000000, -0.0006701400000000, 0.0001643300000000 ] - [ 0.0003964700000000, -0.0007078600000000, -0.0001020300000000 ] - [ 0.0003752600000000, -0.0006941900000000, -0.0001354800000000 ] - [ 0.0014882100000000, -0.0015548900000000, -0.0018174100000000 ] - [ 0.0000476300000000, -0.0010380300000000, 0.0002185100000000 ] - [ -0.0008182200000000, -0.0000529000000000, 0.0008046000000000 ] - [ -0.0008725000000000, -0.0001082100000000, 0.0005349400000000 ] - [ -0.0004389000000000, -0.0004222100000000, -0.0004367100000000 ] - [ -0.0005491600000000, -0.0003619400000000, -0.0001940000000000 ] - [ -0.0000795500000000, -0.0006863000000000, 0.0017532300000000 ] - [ 0.0005734500000000, -0.0004827100000000, 0.0000718400000000 ] - [ 0.0004873800000000, -0.0000659700000000, 0.0012845100000000 ] - [ 0.0012755100000000, 0.0001723200000000, -0.0003232000000000 ] - [ 0.0001751000000000, 0.0000298700000000, 0.0000763500000000 ] - [ 0.0001193800000000, 0.0000452100000000, 0.0000861700000000 ] - [ -0.0003183600000000, -0.0004118800000000, 0.0003313900000000 ] - [ -0.0002945000000000, -0.0003372600000000, 0.0000829900000000 ] - [ -0.0005762400000000, -0.0005570700000000, -0.0005913800000000 ] - [ -0.0007893500000000, -0.0006945700000000, -0.0003834700000000 ] - [ -0.0006045100000000, 0.0000694900000000, 0.0001383500000000 ] - [ 0.0002032300000000, -0.0006361700000000, 0.0002158900000000 ] - [ 0.0011313400000000, -0.0018303500000000, 0.0103283800000000 ] - [ 0.0001325300000000, -0.0000668600000000, 0.0001984200000000 ] - [ 0.0007964200000000, 0.0000244100000000, -0.0055847200000000 ] - [ -0.0000036100000000, 0.0000531700000000, -0.0001060900000000 ] - [ 0.0000820900000000, -0.0006987400000000, 0.0001705900000000 ] - [ -0.0001915100000000, -0.0008453900000000, 0.0003143100000000 ] - [ -0.0001972000000000, -0.0002111600000000, -0.0001702200000000 ] - [ -0.0001925600000000, -0.0002132100000000, -0.0001280400000000 ] - [ -0.0109790300000000, -0.0019748700000000, 0.0249563900000000 ] - [ 0.0003374900000000, -0.0001412000000000, -0.0006254300000000 ] - [ -0.0004212600000000, 0.0000251500000000, -0.0003224800000000 ] - [ 0.0000787700000000, -0.0003069100000000, -0.0003569400000000 ] - [ -0.0004186300000000, -0.0003255900000000, -0.0001217400000000 ] - [ 0.0000044800000000, 0.0001262900000000, -0.0000472000000000 ] - [ -0.0009443900000000, 0.0032300600000000, 0.0092911800000000 ] - [ -0.0003334300000000, -0.0006886400000000, -0.0003074900000000 ] - [ 0.0004486200000000, -0.0000001700000000, 0.0006373900000000 ] - [ 0.0005991600000000, 0.0000121800000000, 0.0001076600000000 ] - [ 0.0001478300000000, -0.0000114200000000, -0.0001012000000000 ] - [ 0.0001935600000000, -0.0000127100000000, -0.0001204500000000 ] - [ -0.0004142400000000, 0.0001406100000000, 0.0002756400000000 ] - [ -0.0003605200000000, 0.0002032100000000, 0.0002478400000000 ] - [ 0.0001307500000000, 0.0003433200000000, -0.0001289100000000 ] - [ 0.0000796100000000, 0.0002562000000000, 0.0001301700000000 ] - [ 0.0002876200000000, -0.0001842100000000, -0.0055940000000000 ] - [ -0.0002920900000000, 0.0001600700000000, -0.0004765500000000 ] - [ 0.0001211300000000, -0.0001847700000000, 0.0000529900000000 ] - [ 0.0004712800000000, -0.0001495000000000, -0.0001771200000000 ] - [ 0.0000534600000000, -0.0001105900000000, 0.0000136400000000 ] - [ 0.0000826700000000, -0.0003313700000000, 0.0000082300000000 ] - [ -0.0001150500000000, -0.0002683500000000, -0.0006918200000000 ] - [ -0.0013939600000000, -0.0006029900000000, -0.0004565700000000 ] - [ 0.0005707200000000, -0.0016022300000000, 0.0006593000000000 ] - [ -0.0007464700000000, -0.0003158800000000, 0.0005838600000000 ] - [ 0.0003498300000000, 0.0002071400000000, -0.0053455800000000 ] - [ -0.0001533100000000, 0.0000908800000000, -0.0001722500000000 ] - [ 0.0004067700000000, -0.0006170900000000, 0.0003949000000000 ] - [ 0.0004503600000000, -0.0006764400000000, 0.0003621300000000 ] - [ 0.0009498800000000, 0.0009105700000000, -0.0051261200000000 ] - [ -0.0002399500000000, 0.0005986800000000, -0.0002323600000000 ] - [ 0.0000576400000000, 0.0002300900000000, -0.0006837700000000 ] - [ -0.0001041600000000, 0.0001649300000000, -0.0002791000000000 ] - [ 0.0003129000000000, 0.0018893200000000, 0.0005033100000000 ] - [ -0.0007458800000000, 0.0001955900000000, 0.0003016500000000 ] - [ -0.0001127800000000, 0.0001861100000000, -0.0000086800000000 ] - [ -0.0001224500000000, 0.0001838700000000, 0.0000018000000000 ] - [ 0.0006390100000000, 0.0002822400000000, -0.0000682600000000 ] - [ 0.0006787000000000, 0.0001754400000000, -0.0000594400000000 ] - [ -0.0003278400000000, -0.0001207300000000, 0.0006298400000000 ] - [ -0.0002966900000000, -0.0001255600000000, 0.0006296500000000 ] - [ 0.0000280200000000, 0.0000966600000000, 0.0000184000000000 ] - [ 0.0000442100000000, 0.0000861900000000, 0.0000550000000000 ] - [ 0.0001174800000000, 0.0005686400000000, 0.0001254000000000 ] - [ 0.0000990700000000, 0.0005491300000000, 0.0001501200000000 ] - [ -0.0002351500000000, 0.0001684000000000, 0.0003374800000000 ] - [ 0.0018958000000000, 0.0010794000000000, 0.0003298900000000 ] - [ -0.0001312200000000, 0.0000442600000000, -0.0006321000000000 ] - [ -0.0000742600000000, 0.0000527100000000, -0.0006649000000000 ] - [ 0.0005660100000000, -0.0002220000000000, -0.0011193800000000 ] - [ -0.0001510400000000, -0.0001698700000000, -0.0001720700000000 ] - [ -0.0000259600000000, 0.0005211900000000, 0.0004285000000000 ] - [ 0.0001601100000000, 0.0008201400000000, 0.0002687700000000 ] - [ 0.0006743900000000, -0.0003925100000000, -0.0003091600000000 ] - [ 0.0007215000000000, -0.0002905200000000, -0.0002858300000000 ] - [ -0.0004057600000000, -0.0002873500000000, 0.0008550300000000 ] - [ 0.0012448200000000, -0.0004716300000000, 0.0002774400000000 ] - [ -0.0145538600000000, -0.0017347600000000, 0.0327501400000000 ] - [ -0.0003287200000000, -0.0005433200000000, 0.0002598400000000 ] - [ 0.0003472400000000, -0.0005144300000000, -0.0002172700000000 ] - [ 0.0003594100000000, -0.0005219100000000, -0.0002038800000000 ] - [ 0.0002004400000000, -0.0008332100000000, -0.0015704000000000 ] - [ 0.0000100800000000, -0.0005910500000000, -0.0003839700000000 ] - [ 0.0000145900000000, 0.0006120300000000, 0.0002953900000000 ] - [ 0.0000277000000000, 0.0006240000000000, 0.0002825000000000 ] - [ -0.0001381900000000, 0.0004061600000000, -0.0007922300000000 ] - [ -0.0001526500000000, 0.0001998700000000, -0.0001584800000000 ] - [ 0.0002104400000000, 0.0002566600000000, 0.0000725000000000 ] - [ -0.0005325200000000, 0.0005712200000000, 0.0000913800000000 ] - [ -0.0002820700000000, 0.0002660100000000, 0.0011004800000000 ] - [ 0.0000424500000000, 0.0005881500000000, -0.0001827700000000 ] - [ -0.0002157400000000, -0.0002028800000000, 0.0001485100000000 ] - [ -0.0001816600000000, -0.0002063300000000, 0.0001200800000000 ] - [ 0.0003816600000000, -0.0000932400000000, -0.0000597600000000 ] - [ 0.0003734800000000, -0.0000726200000000, -0.0000146600000000 ] - [ -0.0005309000000000, 0.0002504800000000, 0.0009162200000000 ] - [ -0.0002665000000000, -0.0000830500000000, 0.0002506700000000 ] - [ -0.0017939100000000, 0.0018382300000000, 0.0099851800000000 ] - [ 0.0003009300000000, 0.0000384800000000, 0.0007509400000000 ] - [ 0.0001463500000000, -0.0001095900000000, -0.0001574400000000 ] - [ 0.0001196100000000, 0.0001327500000000, -0.0001601200000000 ] - [ -0.0017887900000000, -0.0000795700000000, 0.0104250100000000 ] - [ 0.0005316300000000, 0.0008628100000000, -0.0001592100000000 ] - [ 0.0002342700000000, 0.0001410900000000, 0.0003976100000000 ] - [ 0.0002406300000000, 0.0001241900000000, 0.0004491500000000 ]- atom: 25 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ 0.0065590100000000, -0.0120260600000000, -0.0014485700000000 ] - [ -0.0001870800000000, 0.0003412200000000, -0.0000679000000000 ] - [ -0.0000269000000000, 0.0002553600000000, -0.0002067700000000 ] - [ 0.0002344200000000, 0.0003038200000000, -0.0004975000000000 ] - [ -0.0030134100000000, 0.0114786800000000, -0.0031071100000000 ] - [ 0.0001972200000000, 0.0007940100000000, -0.0001514500000000 ] - [ -0.0031755000000000, 0.0005199600000000, -0.0015773300000000 ] - [ 0.0010118500000000, 0.0003090200000000, -0.0021324000000000 ] - [ -0.0005358700000000, -0.0000007100000000, 0.0003451700000000 ] - [ -0.0005046900000000, 0.0000112200000000, 0.0003643800000000 ] - [ 0.0082465700000000, -0.0007596800000000, 0.0013054700000000 ] - [ -0.0003074500000000, -0.0002769500000000, 0.0016881100000000 ] - [ -0.0001076800000000, 0.0008578700000000, 0.0000292200000000 ] - [ 0.0000478900000000, 0.0007713800000000, -0.0000776700000000 ] - [ 0.0001652900000000, 0.0003309400000000, -0.0003541300000000 ] - [ 0.0002271900000000, 0.0003068900000000, -0.0003488200000000 ] - [ -0.0015450500000000, -0.0040871600000000, -0.0015526900000000 ] - [ 0.0000273800000000, 0.0002984700000000, 0.0000345600000000 ] - [ 0.0019926300000000, 0.0075355400000000, -0.0002728700000000 ] - [ -0.0001908900000000, 0.0005019400000000, -0.0001645200000000 ] - [ 0.0002526100000000, 0.0001773800000000, 0.0002924100000000 ] - [ 0.0001727700000000, 0.0003361100000000, 0.0004111800000000 ] - [ 0.0002727000000000, 0.0008319400000000, 0.0003453600000000 ] - [ 0.0001537300000000, 0.0004737000000000, 0.0006145300000000 ] - [ -0.0355185700000000, -0.0007079700000000, 0.1076598700000000 ] - [ 0.0001781800000000, -0.0000456900000000, 0.0000647900000000 ] - [ -0.0009461000000000, -0.0006478100000000, 0.0021243500000000 ] - [ 0.0009972600000000, -0.0005662900000000, 0.0003969700000000 ] - [ 0.0032696100000000, -0.0013600900000000, -0.0245360800000000 ] - [ -0.0004994600000000, -0.0007224100000000, 0.0000946600000000 ] - [ 0.0003774100000000, -0.0006846400000000, -0.0001583100000000 ] - [ 0.0003983100000000, -0.0006982400000000, -0.0001248100000000 ] - [ -0.0001055300000000, 0.0002132900000000, 0.0025384900000000 ] - [ 0.0013569100000000, -0.0003350700000000, 0.0004970100000000 ] - [ -0.0009047500000000, -0.0001002500000000, 0.0002485500000000 ] - [ -0.0008521700000000, -0.0000487300000000, 0.0005182000000000 ] - [ -0.0005385800000000, -0.0002832300000000, 0.0000989000000000 ] - [ -0.0004282900000000, -0.0003487500000000, -0.0001441900000000 ] - [ 0.0006830800000000, 0.0000149500000000, -0.0018911300000000 ] - [ 0.0000168400000000, -0.0002010000000000, -0.0002082100000000 ] - [ 0.0012517100000000, -0.0001152800000000, -0.0023419200000000 ] - [ 0.0004496500000000, -0.0003378900000000, -0.0007330400000000 ] - [ 0.0001244000000000, 0.0000477000000000, 0.0001157200000000 ] - [ 0.0001802100000000, 0.0000323500000000, 0.0001057100000000 ] - [ -0.0002781500000000, -0.0002800100000000, -0.0001806200000000 ] - [ -0.0003010400000000, -0.0003511400000000, 0.0000677800000000 ] - [ -0.0008294800000000, -0.0008184600000000, -0.0001336000000000 ] - [ -0.0006175000000000, -0.0006770500000000, -0.0003415100000000 ] - [ -0.0005126000000000, -0.0000027300000000, -0.0003012600000000 ] - [ -0.0013188800000000, 0.0006986300000000, -0.0003754000000000 ] - [ -0.0015853400000000, 0.0018695700000000, -0.0101669300000000 ] - [ -0.0004679400000000, 0.0000352700000000, 0.0000618000000000 ] - [ -0.0005548600000000, 0.0003378100000000, 0.0055797200000000 ] - [ 0.0002349000000000, 0.0003207600000000, 0.0000876100000000 ] - [ -0.0001131300000000, -0.0005230800000000, 0.0005794900000000 ] - [ 0.0001617600000000, -0.0003775700000000, 0.0004347500000000 ] - [ -0.0001945900000000, -0.0002239700000000, -0.0000768500000000 ] - [ -0.0001994100000000, -0.0002222100000000, -0.0001195700000000 ] - [ 0.0128800500000000, 0.0020777300000000, -0.0287058000000000 ] - [ 0.0002859700000000, -0.0001143300000000, -0.0006521800000000 ] - [ 0.0002907600000000, -0.0007237000000000, 0.0003360600000000 ] - [ -0.0002043600000000, -0.0003880700000000, 0.0003596900000000 ] - [ 0.0002119800000000, 0.0006205900000000, 0.0004708900000000 ] - [ -0.0002089200000000, 0.0001680300000000, 0.0003859100000000 ] - [ 0.0002160200000000, -0.0041886100000000, -0.0099038300000000 ] - [ -0.0005224800000000, -0.0005790000000000, -0.0004142600000000 ] - [ 0.0006672900000000, 0.0000602400000000, -0.0004720000000000 ] - [ 0.0005191000000000, 0.0000529700000000, 0.0000561800000000 ] - [ 0.0001879900000000, -0.0000194400000000, -0.0001550000000000 ] - [ 0.0001427500000000, -0.0000186900000000, -0.0001358400000000 ] - [ -0.0003712800000000, 0.0002110200000000, 0.0001952900000000 ] - [ -0.0004246400000000, 0.0001480200000000, 0.0002232100000000 ] - [ 0.0001326900000000, 0.0000753000000000, 0.0003984500000000 ] - [ 0.0001853200000000, 0.0001654300000000, 0.0001394900000000 ] - [ -0.0007701100000000, 0.0004578200000000, 0.0046820300000000 ] - [ -0.0001862200000000, 0.0001301200000000, -0.0004250900000000 ] - [ 0.0005782700000000, -0.0000201500000000, -0.0005298000000000 ] - [ 0.0002257500000000, -0.0000624000000000, -0.0002966300000000 ] - [ 0.0000739500000000, -0.0005872700000000, -0.0000168600000000 ] - [ 0.0000441500000000, -0.0003654100000000, -0.0000093600000000 ] - [ -0.0006618400000000, 0.0001299500000000, 0.0007148500000000 ] - [ 0.0006279400000000, 0.0004657700000000, 0.0004700700000000 ] - [ -0.0019751500000000, 0.0010168800000000, -0.0001119400000000 ] - [ -0.0006543600000000, -0.0002786200000000, -0.0000192400000000 ] - [ -0.0004380300000000, -0.0000402600000000, 0.0052231900000000 ] - [ 0.0000863300000000, 0.0000634600000000, 0.0000643000000000 ] - [ 0.0004496600000000, -0.0006496100000000, 0.0003274900000000 ] - [ 0.0004058400000000, -0.0005912300000000, 0.0003605000000000 ] - [ -0.0011500300000000, 0.0001996600000000, 0.0048232700000000 ] - [ 0.0000267300000000, 0.0004919900000000, -0.0000810000000000 ] - [ -0.0002193500000000, 0.0000787100000000, 0.0001597500000000 ] - [ -0.0000585000000000, 0.0001428600000000, -0.0002431800000000 ] - [ -0.0016433800000000, -0.0015487300000000, -0.0004020900000000 ] - [ -0.0005854600000000, 0.0001534200000000, -0.0001871500000000 ] - [ -0.0001193700000000, 0.0001880500000000, 0.0000297700000000 ] - [ -0.0001095800000000, 0.0001900300000000, 0.0000188700000000 ] - [ 0.0006892600000000, 0.0000651200000000, -0.0000426900000000 ] - [ 0.0006501200000000, 0.0001722000000000, -0.0000535800000000 ] - [ -0.0002974400000000, -0.0001348500000000, 0.0006496200000000 ] - [ -0.0003284700000000, -0.0001300700000000, 0.0006495300000000 ] - [ 0.0000400000000000, 0.0000566200000000, 0.0000902600000000 ] - [ 0.0000236500000000, 0.0000672100000000, 0.0000535700000000 ] - [ 0.0000946400000000, 0.0005222300000000, 0.0001902100000000 ] - [ 0.0001133900000000, 0.0005415500000000, 0.0001652600000000 ] - [ 0.0010345100000000, 0.0001789800000000, -0.0008084600000000 ] - [ -0.0011077100000000, -0.0007251200000000, -0.0007877000000000 ] - [ -0.0000691100000000, 0.0000193300000000, -0.0007168500000000 ] - [ -0.0001269400000000, 0.0000119300000000, -0.0006837700000000 ] - [ -0.0001816900000000, -0.0002147800000000, 0.0013666500000000 ] - [ 0.0005456700000000, -0.0002671800000000, 0.0004126000000000 ] - [ 0.0000639900000000, 0.0005736100000000, -0.0000064800000000 ] - [ -0.0001235100000000, 0.0002772700000000, 0.0001546200000000 ] - [ 0.0007252000000000, -0.0002007700000000, -0.0002519000000000 ] - [ 0.0006787000000000, -0.0003026400000000, -0.0002769500000000 ] - [ 0.0008130800000000, -0.0001117400000000, -0.0010817600000000 ] - [ -0.0008471300000000, 0.0000681900000000, -0.0004964700000000 ] - [ 0.0124596100000000, 0.0007472500000000, -0.0295756800000000 ] - [ -0.0003784300000000, -0.0004949200000000, 0.0001783700000000 ] - [ 0.0003606700000000, -0.0005233200000000, -0.0002196400000000 ] - [ 0.0003483100000000, -0.0005161900000000, -0.0002328700000000 ] - [ -0.0001688500000000, -0.0003956500000000, 0.0008207000000000 ] - [ 0.0000203700000000, -0.0006322300000000, -0.0003644700000000 ] - [ 0.0000266300000000, 0.0006110300000000, 0.0002647200000000 ] - [ 0.0000133000000000, 0.0005989700000000, 0.0002778500000000 ] - [ -0.0001248600000000, 0.0000228900000000, 0.0005244100000000 ] - [ -0.0001097900000000, 0.0002217900000000, -0.0001103700000000 ] - [ -0.0000500200000000, 0.0000496600000000, 0.0004522600000000 ] - [ 0.0006969300000000, -0.0002635800000000, 0.0004309300000000 ] - [ 0.0002409100000000, 0.0008363200000000, -0.0015206900000000 ] - [ -0.0000791300000000, 0.0005088000000000, -0.0002381300000000 ] - [ -0.0001803900000000, -0.0001998000000000, 0.0000811300000000 ] - [ -0.0002147200000000, -0.0001955600000000, 0.0001094100000000 ] - [ 0.0003896200000000, -0.0000477800000000, 0.0000386200000000 ] - [ 0.0003979600000000, -0.0000674200000000, -0.0000064200000000 ] - [ -0.0001654300000000, -0.0004735300000000, -0.0004363600000000 ] - [ -0.0004302200000000, -0.0001282200000000, 0.0002251500000000 ] - [ 0.0019467100000000, -0.0019222300000000, -0.0086852100000000 ] - [ -0.0000995600000000, 0.0000259500000000, 0.0006003200000000 ] - [ 0.0000598900000000, 0.0004045200000000, -0.0001821300000000 ] - [ 0.0000853200000000, 0.0001622700000000, -0.0001770300000000 ] - [ 0.0018444500000000, 0.0012433100000000, -0.0109289000000000 ] - [ -0.0005750600000000, 0.0003593800000000, -0.0004007200000000 ] - [ 0.0002429600000000, 0.0001484000000000, 0.0005055600000000 ] - [ 0.0002365500000000, 0.0001646000000000, 0.0004539100000000 ]- atom: 27 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ 0.0090362500000000, 0.0005435200000000, -0.0037777800000000 ] - [ 0.0135051600000000, -0.0032889700000000, 0.0041831900000000 ] - [ -0.0064313100000000, 0.0047328700000000, 0.0046148300000000 ] - [ 0.0022097000000000, -0.0003834000000000, 0.0004012000000000 ] - [ 0.0034560200000000, 0.0001981100000000, 0.0089496800000000 ] - [ 0.0019746100000000, 0.0006322300000000, -0.0000415700000000 ] - [ -0.0044271800000000, -0.0032517000000000, 0.0024545900000000 ] - [ 0.0018650600000000, 0.0012200600000000, 0.0007781300000000 ] - [ -0.0005253900000000, -0.0013070800000000, 0.0001345500000000 ] - [ -0.0000248600000000, 0.0010598700000000, 0.0005416000000000 ] - [ -0.0029876800000000, -0.0060526900000000, -0.0055433300000000 ] - [ 0.0033077700000000, 0.0008076700000000, 0.0004409600000000 ] - [ -0.0006833600000000, 0.0006214600000000, -0.0001123500000000 ] - [ 0.0005918000000000, 0.0007770700000000, 0.0002471500000000 ] - [ 0.0004187400000000, -0.0010180200000000, -0.0000347600000000 ] - [ 0.0005209100000000, 0.0013361700000000, -0.0003426500000000 ] - [ -0.0000813300000000, 0.0013848700000000, 0.0003170000000000 ] - [ 0.0001553500000000, -0.0005176600000000, 0.0001833600000000 ] - [ -0.0001756700000000, 0.0018502700000000, -0.0004429700000000 ] - [ 0.0003123000000000, -0.0006357500000000, -0.0001074100000000 ] - [ -0.0003447200000000, 0.0003362800000000, 0.0001166700000000 ] - [ 0.0007835400000000, 0.0003070000000000, 0.0004019600000000 ] - [ -0.0030648900000000, 0.0088466600000000, -0.0066510400000000 ] - [ 0.0029614100000000, -0.0003846200000000, 0.0010454000000000 ] - [ 0.0017138000000000, 0.0106275500000000, 0.0018741800000000 ] - [ 0.0021082700000000, -0.0013884100000000, -0.0000176700000000 ] - [ -0.1284807900000000, -0.0076849500000000, -0.0032211100000000 ] - [ 0.0035332800000000, -0.0002608200000000, 0.0008295400000000 ] - [ -0.0012969400000000, 0.0011523200000000, -0.0007671000000000 ] - [ 0.0014056200000000, -0.0020157100000000, 0.0011591900000000 ] - [ -0.0009368600000000, -0.0004445000000000, -0.0005946000000000 ] - [ 0.0013580600000000, -0.0007827500000000, 0.0001866900000000 ] - [ -0.0009869100000000, -0.0006506500000000, 0.0000224000000000 ] - [ 0.0017041800000000, -0.0005943700000000, 0.0006017300000000 ] - [ -0.0018043400000000, -0.0014529100000000, -0.0002017900000000 ] - [ 0.0010407700000000, 0.0012383400000000, 0.0014197900000000 ] - [ -0.0009457100000000, -0.0003691100000000, -0.0002767400000000 ] - [ -0.0000285100000000, -0.0003649400000000, -0.0000546500000000 ] - [ -0.0027719900000000, 0.0001241500000000, -0.0071465400000000 ] - [ 0.0030620600000000, -0.0001302800000000, 0.0008451100000000 ] - [ -0.0004458600000000, -0.0002196200000000, -0.0009180400000000 ] - [ 0.0018352600000000, -0.0000406400000000, -0.0002439000000000 ] - [ -0.0014430800000000, 0.0001951000000000, -0.0002762400000000 ] - [ 0.0011448100000000, -0.0000570500000000, 0.0002973900000000 ] - [ -0.0007381900000000, -0.0003791400000000, -0.0000530100000000 ] - [ 0.0001357700000000, -0.0003351100000000, 0.0001982400000000 ] - [ 0.0013579000000000, -0.0077036700000000, 0.0005619800000000 ] - [ 0.0015451600000000, 0.0008234100000000, -0.0002182900000000 ] - [ 0.0276668100000000, 0.0103990900000000, 0.0033992000000000 ] - [ -0.0025415500000000, 0.0006592900000000, -0.0003543100000000 ] - [ 0.0031651600000000, -0.0017513500000000, 0.0008940700000000 ] - [ -0.0012562700000000, 0.0002104700000000, -0.0001337000000000 ] - [ -0.0007765800000000, -0.0008958200000000, -0.0002270100000000 ] - [ -0.0005086200000000, 0.0013371000000000, -0.0017478500000000 ] - [ 0.0002756500000000, -0.0004437000000000, 0.0004597700000000 ] - [ -0.0003174300000000, -0.0007096300000000, 0.0002817100000000 ] - [ -0.0000829000000000, 0.0000942600000000, -0.0001134800000000 ] - [ -0.0003400100000000, -0.0005001100000000, -0.0001397800000000 ] - [ 0.0022423500000000, -0.0022087200000000, -0.0028672200000000 ] - [ -0.0008113600000000, 0.0003680600000000, -0.0009058300000000 ] - [ 0.0006182700000000, 0.0000730100000000, 0.0002273800000000 ] - [ -0.0004980000000000, -0.0005246900000000, -0.0001043600000000 ] - [ 0.0117835900000000, -0.0004941900000000, -0.0070915800000000 ] - [ -0.0013711200000000, -0.0000480700000000, -0.0001447000000000 ] - [ -0.0005562900000000, -0.0020719800000000, -0.0005688800000000 ] - [ -0.0007615200000000, 0.0000736500000000, -0.0002948400000000 ] - [ 0.0005020400000000, -0.0002046300000000, 0.0000507700000000 ] - [ 0.0005631600000000, 0.0002456200000000, 0.0000990100000000 ] - [ 0.0008445200000000, 0.0011816000000000, 0.0000391800000000 ] - [ -0.0005173600000000, -0.0003826800000000, -0.0002915700000000 ] - [ -0.0009780700000000, 0.0012696300000000, 0.0000872700000000 ] - [ -0.0008651300000000, -0.0009170500000000, 0.0003455500000000 ] - [ 0.0021148200000000, 0.0002258400000000, 0.0016101400000000 ] - [ -0.0012684800000000, 0.0002026100000000, -0.0004190300000000 ] - [ 0.0008242900000000, 0.0000066000000000, 0.0019879500000000 ] - [ -0.0019333300000000, 0.0002536900000000, -0.0015598700000000 ] - [ 0.0144309000000000, -0.0078414500000000, 0.0024521100000000 ] - [ -0.0012634200000000, -0.0001334300000000, -0.0004409200000000 ] - [ 0.0000185300000000, 0.0011431800000000, -0.0010845400000000 ] - [ -0.0005329000000000, -0.0010652100000000, -0.0001111800000000 ] - [ -0.0001065800000000, 0.0008225500000000, 0.0001282400000000 ] - [ -0.0009342900000000, -0.0004113900000000, -0.0001917800000000 ] - [ 0.0001359600000000, -0.0000823700000000, 0.0004254700000000 ] - [ -0.0011895600000000, -0.0003855700000000, 0.0001422500000000 ] - [ 0.0016194900000000, -0.0005098700000000, 0.0004918800000000 ] - [ -0.0010429900000000, 0.0003591200000000, -0.0003567000000000 ] - [ 0.0024480900000000, -0.0021606300000000, 0.0007694300000000 ] - [ -0.0002204000000000, -0.0002453600000000, 0.0002138900000000 ] - [ -0.0003857100000000, -0.0003346300000000, -0.0000556300000000 ] - [ -0.0003494500000000, 0.0013326100000000, -0.0003875600000000 ] - [ -0.0001697900000000, -0.0000444200000000, -0.0002767700000000 ] - [ -0.0000314700000000, 0.0003486200000000, -0.0002601900000000 ] - [ 0.0109878700000000, -0.0011392700000000, -0.0057143900000000 ] - [ -0.0019591900000000, 0.0002021700000000, -0.0003150100000000 ] - [ 0.0001711700000000, -0.0000616300000000, 0.0001271000000000 ] - [ -0.0004573300000000, 0.0003768000000000, -0.0001201100000000 ] - [ 0.0008972400000000, 0.0002552900000000, 0.0000182600000000 ] - [ 0.0004372800000000, 0.0001140700000000, -0.0001148600000000 ] - [ 0.0003348500000000, -0.0000476300000000, 0.0008361900000000 ] - [ -0.0007809700000000, -0.0001834700000000, 0.0005119600000000 ] - [ 0.0008267900000000, 0.0006522300000000, 0.0003012400000000 ] - [ -0.0006359900000000, -0.0002609800000000, -0.0001464300000000 ] - [ 0.0006662300000000, -0.0006583000000000, 0.0003786600000000 ] - [ -0.0004965100000000, 0.0009202600000000, -0.0000322600000000 ] - [ 0.0009476900000000, 0.0016881000000000, -0.0001575700000000 ] - [ -0.0002558200000000, -0.0002138200000000, -0.0003575700000000 ] - [ 0.0003617900000000, 0.0000630800000000, -0.0005909100000000 ] - [ -0.0004911700000000, 0.0000407200000000, -0.0007499500000000 ] - [ 0.0015345800000000, -0.0006675900000000, 0.0014880300000000 ] - [ -0.0009565300000000, -0.0002466700000000, -0.0002952400000000 ] - [ 0.0003325200000000, 0.0007583700000000, 0.0002790400000000 ] - [ -0.0002678800000000, 0.0004557300000000, 0.0001536800000000 ] - [ 0.0004937500000000, 0.0015879700000000, 0.0009014900000000 ] - [ -0.0001911900000000, -0.0008844600000000, -0.0005814900000000 ] - [ 0.0199269500000000, -0.0120107900000000, 0.0038631200000000 ] - [ -0.0015783200000000, -0.0005278700000000, -0.0004544100000000 ] - [ -0.0015671700000000, -0.0031236900000000, 0.0019559000000000 ] - [ -0.0015393200000000, 0.0009627300000000, -0.0001408300000000 ] - [ 0.0009207400000000, -0.0008090400000000, -0.0000973000000000 ] - [ -0.0000503500000000, -0.0004151000000000, -0.0003196800000000 ] - [ -0.0004357800000000, 0.0005341100000000, -0.0002932400000000 ] - [ -0.0012901900000000, -0.0017646900000000, -0.0026426200000000 ] - [ 0.0003145800000000, 0.0003840700000000, 0.0003271200000000 ] - [ -0.0003244600000000, 0.0007647600000000, 0.0002202800000000 ] - [ 0.0002933000000000, 0.0001044300000000, 0.0000386900000000 ] - [ -0.0005216000000000, 0.0002963100000000, -0.0002960100000000 ] - [ 0.0011281500000000, 0.0000934700000000, 0.0021182500000000 ] - [ -0.0017568300000000, 0.0006237400000000, -0.0005228000000000 ] - [ -0.0034639200000000, 0.0030638700000000, -0.0014649000000000 ] - [ -0.0028049400000000, -0.0006039800000000, 0.0010018200000000 ] - [ -0.0002210000000000, 0.0001125800000000, 0.0001247400000000 ] - [ -0.0002479600000000, -0.0004611600000000, 0.0000846600000000 ] - [ 0.0000490300000000, 0.0005584100000000, -0.0000829100000000 ] - [ 0.0002255600000000, -0.0009511200000000, -0.0002412000000000 ] - [ 0.0001278600000000, -0.0002731300000000, 0.0003281900000000 ] - [ -0.0007809700000000, -0.0000324600000000, 0.0001745700000000 ] - [ 0.0367903200000000, 0.0156829200000000, 0.0043017600000000 ] - [ -0.0019852600000000, 0.0001753000000000, 0.0007131600000000 ] - [ 0.0003332600000000, 0.0000737800000000, -0.0001209300000000 ] - [ -0.0001221700000000, 0.0002335100000000, -0.0002298500000000 ] - [ -0.0036637700000000, -0.0011203200000000, -0.0017102200000000 ] - [ -0.0018307900000000, 0.0020418400000000, 0.0008837200000000 ] - [ 0.0006525200000000, 0.0001325100000000, 0.0006015600000000 ] - [ -0.0001377000000000, 0.0001639800000000, 0.0003205600000000 ]- atom: 27 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ -0.0094955300000000, 0.0000756000000000, 0.0032887900000000 ] - [ -0.0138006000000000, 0.0039036900000000, -0.0046454500000000 ] - [ 0.0065974200000000, -0.0040119900000000, -0.0048982000000000 ] - [ -0.0019980800000000, 0.0011363300000000, -0.0006636500000000 ] - [ -0.0033923500000000, 0.0012503500000000, -0.0091452500000000 ] - [ -0.0019166000000000, 0.0008248200000000, -0.0001090800000000 ] - [ 0.0040064500000000, 0.0038591900000000, -0.0017727600000000 ] - [ -0.0022744200000000, -0.0006359000000000, -0.0000840900000000 ] - [ -0.0005186100000000, 0.0013122600000000, 0.0005687900000000 ] - [ -0.0010267700000000, -0.0010556200000000, 0.0001604800000000 ] - [ 0.0040056300000000, 0.0060704700000000, 0.0048423100000000 ] - [ -0.0022595500000000, -0.0008078500000000, -0.0011442400000000 ] - [ 0.0006211300000000, 0.0008327300000000, 0.0002543200000000 ] - [ -0.0006534400000000, 0.0006772100000000, -0.0001046100000000 ] - [ -0.0000035900000000, 0.0016063300000000, -0.0006576000000000 ] - [ -0.0001144500000000, -0.0007470100000000, -0.0003525900000000 ] - [ -0.0001264500000000, -0.0006389300000000, -0.0000525800000000 ] - [ -0.0003691200000000, 0.0012651400000000, 0.0000789200000000 ] - [ -0.0001980200000000, -0.0008302400000000, -0.0000727400000000 ] - [ -0.0006929500000000, 0.0016574600000000, -0.0004098500000000 ] - [ 0.0007512300000000, 0.0003026400000000, 0.0003958000000000 ] - [ -0.0003752000000000, 0.0003328000000000, 0.0001106900000000 ] - [ 0.0034017500000000, -0.0078078100000000, 0.0071514500000000 ] - [ -0.0025896600000000, 0.0014149100000000, -0.0005315700000000 ] - [ -0.0020197500000000, -0.0105742700000000, -0.0020629100000000 ] - [ -0.0024137500000000, 0.0014593300000000, -0.0001688900000000 ] - [ 0.1295889700000000, 0.0079993100000000, 0.0035188800000000 ] - [ -0.0025560800000000, -0.0004476800000000, -0.0004853400000000 ] - [ 0.0005340500000000, -0.0025469500000000, 0.0010308700000000 ] - [ -0.0021795200000000, 0.0006169500000000, -0.0009012900000000 ] - [ 0.0017113900000000, -0.0009518600000000, 0.0003346900000000 ] - [ -0.0005840600000000, -0.0006084900000000, -0.0004476800000000 ] - [ 0.0023883400000000, -0.0007172000000000, 0.0006946400000000 ] - [ -0.0003001600000000, -0.0007794100000000, 0.0001182900000000 ] - [ 0.0000928500000000, 0.0012950000000000, 0.0012645500000000 ] - [ -0.0027677500000000, -0.0013900900000000, -0.0003674500000000 ] - [ -0.0000279500000000, -0.0003421200000000, -0.0000641100000000 ] - [ -0.0009481700000000, -0.0003447000000000, -0.0002869200000000 ] - [ 0.0033708800000000, -0.0008044000000000, 0.0070034900000000 ] - [ -0.0024706800000000, -0.0005529800000000, -0.0009865700000000 ] - [ 0.0021739300000000, 0.0000577800000000, -0.0001411500000000 ] - [ -0.0001086600000000, -0.0001269500000000, -0.0008156600000000 ] - [ 0.0017474900000000, -0.0001197200000000, 0.0004683000000000 ] - [ -0.0008425900000000, 0.0001399700000000, -0.0001062000000000 ] - [ 0.0001425100000000, -0.0003095500000000, 0.0002040800000000 ] - [ -0.0007344500000000, -0.0003533800000000, -0.0000477500000000 ] - [ -0.0027301400000000, 0.0063701500000000, -0.0013022400000000 ] - [ -0.0029498100000000, -0.0021832000000000, -0.0005141900000000 ] - [ -0.0272049000000000, -0.0091972400000000, -0.0032081600000000 ] - [ 0.0014284200000000, -0.0005966200000000, 0.0001899300000000 ] - [ -0.0035079700000000, 0.0017171200000000, -0.0006377300000000 ] - [ 0.0009211300000000, -0.0002414100000000, 0.0003908100000000 ] - [ 0.0010064700000000, 0.0012741900000000, 0.0002043000000000 ] - [ 0.0007471900000000, -0.0009570000000000, 0.0017239300000000 ] - [ -0.0003051000000000, -0.0007797500000000, 0.0002900800000000 ] - [ 0.0002870900000000, -0.0005123600000000, 0.0004678100000000 ] - [ -0.0003091800000000, -0.0005298600000000, -0.0001343300000000 ] - [ -0.0000502900000000, 0.0000650900000000, -0.0001076300000000 ] - [ -0.0016264800000000, 0.0019551000000000, 0.0015919400000000 ] - [ 0.0014383900000000, -0.0006229300000000, -0.0003712400000000 ] - [ -0.0007467600000000, -0.0007733600000000, -0.0002251600000000 ] - [ 0.0003706800000000, -0.0001717100000000, 0.0001063300000000 ] - [ -0.0118891100000000, 0.0007765600000000, 0.0073654300000000 ] - [ 0.0011665900000000, 0.0003425200000000, 0.0004821400000000 ] - [ -0.0003011400000000, 0.0008040300000000, -0.0001527400000000 ] - [ -0.0000917900000000, -0.0013410600000000, -0.0004260700000000 ] - [ 0.0006164400000000, 0.0002704500000000, 0.0001121000000000 ] - [ 0.0005573500000000, -0.0001802500000000, 0.0000644100000000 ] - [ -0.0005131100000000, -0.0012090000000000, -0.0002963200000000 ] - [ 0.0008553100000000, 0.0003489900000000, 0.0000351300000000 ] - [ 0.0001903800000000, -0.0009260000000000, 0.0003830200000000 ] - [ 0.0000845400000000, 0.0012665200000000, 0.0001259400000000 ] - [ -0.0018575000000000, 0.0002076100000000, -0.0013461500000000 ] - [ 0.0015346700000000, 0.0002163100000000, 0.0006873700000000 ] - [ -0.0013174300000000, 0.0002804000000000, -0.0029083700000000 ] - [ 0.0014554700000000, 0.0000392200000000, 0.0006529800000000 ] - [ -0.0137047000000000, 0.0077872300000000, -0.0029809600000000 ] - [ 0.0019607200000000, -0.0000804600000000, -0.0000327300000000 ] - [ 0.0000981200000000, -0.0018433800000000, 0.0010786800000000 ] - [ 0.0006630300000000, 0.0003648800000000, 0.0001104200000000 ] - [ -0.0006611800000000, -0.0009675200000000, -0.0001052500000000 ] - [ 0.0001630600000000, 0.0002721200000000, 0.0002143000000000 ] - [ -0.0015371900000000, -0.0005142900000000, 0.0001377000000000 ] - [ -0.0002096000000000, -0.0002081500000000, 0.0004218000000000 ] - [ -0.0016911500000000, 0.0006613200000000, -0.0006005500000000 ] - [ 0.0009762100000000, -0.0002046900000000, 0.0002495800000000 ] - [ -0.0015864000000000, 0.0008963900000000, -0.0000480700000000 ] - [ 0.0010771600000000, -0.0010262000000000, 0.0005068400000000 ] - [ 0.0001716500000000, 0.0014258400000000, -0.0002604900000000 ] - [ 0.0001406800000000, -0.0002427400000000, 0.0000733600000000 ] - [ 0.0000074400000000, 0.0003530600000000, -0.0002465500000000 ] - [ -0.0001289500000000, -0.0000405500000000, -0.0002626200000000 ] - [ -0.0123898700000000, 0.0014899500000000, 0.0058633400000000 ] - [ 0.0006315600000000, 0.0001467100000000, 0.0004294700000000 ] - [ -0.0004017800000000, 0.0004366800000000, -0.0001062600000000 ] - [ 0.0002250600000000, -0.0000030400000000, 0.0001405500000000 ] - [ 0.0004316900000000, 0.0000933200000000, -0.0001319400000000 ] - [ 0.0008931100000000, 0.0002347300000000, 0.0000013100000000 ] - [ -0.0009612500000000, -0.0002076800000000, 0.0004430300000000 ] - [ 0.0001561000000000, -0.0000735600000000, 0.0007664500000000 ] - [ -0.0007605800000000, -0.0004991900000000, -0.0001954200000000 ] - [ 0.0007058100000000, 0.0004120000000000, 0.0002543500000000 ] - [ -0.0004531200000000, 0.0017504200000000, -0.0000620100000000 ] - [ 0.0007085800000000, 0.0001665900000000, 0.0003473700000000 ] - [ -0.0001586000000000, -0.0013438500000000, -0.0003126400000000 ] - [ 0.0010416500000000, 0.0005655600000000, -0.0001135000000000 ] - [ -0.0005632100000000, 0.0000036600000000, -0.0007599600000000 ] - [ 0.0002904500000000, 0.0000248300000000, -0.0006006900000000 ] - [ -0.0011346100000000, 0.0002198500000000, -0.0012378300000000 ] - [ 0.0013492100000000, -0.0001871100000000, 0.0005430000000000 ] - [ -0.0002953700000000, 0.0003377300000000, 0.0001422300000000 ] - [ 0.0003043800000000, 0.0006422400000000, 0.0002675900000000 ] - [ 0.0008987500000000, -0.0021896700000000, -0.0014681900000000 ] - [ 0.0015934400000000, 0.0002874300000000, 0.0000175700000000 ] - [ -0.0190665500000000, 0.0108393800000000, -0.0038777800000000 ] - [ 0.0019769800000000, 0.0001292900000000, 0.0002263000000000 ] - [ 0.0008589500000000, 0.0020910400000000, -0.0015196200000000 ] - [ 0.0008336400000000, -0.0019956900000000, 0.0005775200000000 ] - [ -0.0002126500000000, -0.0002274600000000, -0.0003411200000000 ] - [ 0.0007582600000000, -0.0006247800000000, -0.0001180000000000 ] - [ 0.0004643700000000, -0.0017620200000000, -0.0004613000000000 ] - [ 0.0013244400000000, 0.0005336600000000, 0.0018874000000000 ] - [ -0.0002716400000000, 0.0008405800000000, 0.0002321800000000 ] - [ 0.0003656700000000, 0.0004578000000000, 0.0003385200000000 ] - [ -0.0005564600000000, 0.0003161500000000, -0.0003078300000000 ] - [ 0.0002611300000000, 0.0001250300000000, 0.0000279400000000 ] - [ -0.0009529600000000, 0.0002165100000000, -0.0015802000000000 ] - [ 0.0019210300000000, -0.0003174700000000, 0.0010494900000000 ] - [ 0.0034518400000000, -0.0019886700000000, 0.0010599200000000 ] - [ 0.0027631300000000, 0.0016913800000000, -0.0014189900000000 ] - [ -0.0001754700000000, -0.0005142000000000, 0.0001035000000000 ] - [ -0.0001463600000000, 0.0000598000000000, 0.0001439100000000 ] - [ 0.0007210000000000, -0.0007020300000000, 0.0000595400000000 ] - [ 0.0005527700000000, 0.0008112600000000, 0.0002205200000000 ] - [ -0.0008253400000000, 0.0000610600000000, 0.0001452900000000 ] - [ 0.0000861000000000, -0.0001786400000000, 0.0002993500000000 ] - [ -0.0388405500000000, -0.0171009200000000, -0.0033485300000000 ] - [ 0.0021846200000000, -0.0001077300000000, 0.0006404400000000 ] - [ -0.0001279000000000, 0.0002218800000000, -0.0002172800000000 ] - [ 0.0003291000000000, 0.0000616300000000, -0.0001077500000000 ] - [ 0.0036142100000000, 0.0023480500000000, 0.0011480000000000 ] - [ 0.0017846800000000, -0.0008063000000000, -0.0014351300000000 ] - [ -0.0001758700000000, 0.0001577600000000, 0.0003013500000000 ] - [ 0.0006150500000000, 0.0001254900000000, 0.0005826100000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024387100000000, -0.0047898700000000, -0.0011228600000000 ] - [ -0.0027196600000000, -0.0091458300000000, -0.0005564400000000 ] - [ 0.0043764400000000, 0.0058191800000000, 0.0111574500000000 ] - [ -0.0004860200000000, -0.0008277600000000, -0.0004027300000000 ] - [ 0.0007062100000000, -0.0065487700000000, 0.0010241200000000 ] - [ 0.0002532100000000, -0.0032118000000000, -0.0000883100000000 ] - [ -0.0016044100000000, 0.0062021400000000, -0.0068299700000000 ] - [ 0.0003521400000000, 0.0000890500000000, 0.0004440300000000 ] - [ -0.0017946100000000, 0.0022684900000000, 0.0004367000000000 ] - [ 0.0005265600000000, 0.0017207800000000, 0.0006696400000000 ] - [ -0.0046626500000000, 0.0074353700000000, 0.0084758400000000 ] - [ 0.0011873000000000, -0.0003321100000000, -0.0001637300000000 ] - [ 0.0001441700000000, 0.0036120800000000, 0.0000967500000000 ] - [ 0.0000080200000000, 0.0021427100000000, 0.0000561000000000 ] - [ -0.0011507100000000, 0.0022538000000000, -0.0011550700000000 ] - [ 0.0012681900000000, 0.0018458600000000, -0.0001368600000000 ] - [ 0.0005321500000000, 0.0022090300000000, 0.0005363900000000 ] - [ -0.0009858600000000, 0.0023921100000000, -0.0001755800000000 ] - [ 0.0006960800000000, 0.0023664200000000, -0.0002968900000000 ] - [ -0.0014656800000000, 0.0025211100000000, -0.0005383600000000 ] - [ 0.0004776100000000, 0.0031191500000000, 0.0003234100000000 ] - [ 0.0001528500000000, 0.0017815000000000, 0.0002667800000000 ] - [ 0.0098258000000000, 0.0071930200000000, -0.0082266200000000 ] - [ -0.0007020100000000, -0.0003819300000000, 0.0000956900000000 ] - [ 0.0063997300000000, 0.0050397500000000, 0.0019412500000000 ] - [ -0.0015267100000000, -0.0003000400000000, -0.0002390300000000 ] - [ -0.0075012300000000, -0.1305353500000000, -0.0068616700000000 ] - [ 0.0005829100000000, -0.0018477200000000, 0.0001760000000000 ] - [ 0.0010386200000000, -0.0012380200000000, 0.0008128200000000 ] - [ -0.0017391500000000, -0.0011784300000000, -0.0004381700000000 ] - [ 0.0003513100000000, 0.0016266100000000, -0.0002322200000000 ] - [ 0.0004043300000000, 0.0000287500000000, -0.0001254800000000 ] - [ 0.0005246600000000, 0.0032425100000000, 0.0004161400000000 ] - [ 0.0006982900000000, 0.0000357200000000, 0.0003253700000000 ] - [ -0.0027529900000000, -0.0005759400000000, 0.0000089000000000 ] - [ 0.0003910900000000, -0.0004921000000000, 0.0010731500000000 ] - [ -0.0004758500000000, 0.0017393400000000, -0.0001883200000000 ] - [ -0.0004775500000000, 0.0010317700000000, -0.0002283800000000 ] - [ -0.0007083500000000, -0.0071405600000000, 0.0025818000000000 ] - [ 0.0002716300000000, -0.0018284100000000, -0.0000428700000000 ] - [ 0.0010594300000000, 0.0022554800000000, -0.0004082100000000 ] - [ 0.0008095100000000, 0.0006170300000000, -0.0005225600000000 ] - [ 0.0001593600000000, 0.0039857200000000, 0.0001688400000000 ] - [ 0.0002239300000000, 0.0007049300000000, 0.0001209100000000 ] - [ -0.0003353300000000, 0.0015889700000000, 0.0001288100000000 ] - [ -0.0003593100000000, 0.0010897600000000, 0.0001217000000000 ] - [ -0.0109985400000000, 0.0049804300000000, -0.0018648100000000 ] - [ 0.0007565900000000, -0.0011592500000000, -0.0002285500000000 ] - [ 0.0100543900000000, 0.0182733200000000, 0.0016058200000000 ] - [ -0.0005934800000000, 0.0010831800000000, -0.0002763100000000 ] - [ -0.0009757900000000, -0.0042887500000000, 0.0000720400000000 ] - [ -0.0000010900000000, -0.0000466400000000, 0.0001518800000000 ] - [ -0.0004547600000000, 0.0009832100000000, -0.0000873400000000 ] - [ 0.0019735200000000, 0.0015878600000000, 0.0018416500000000 ] - [ 0.0000851700000000, -0.0020052700000000, 0.0004866500000000 ] - [ -0.0001236400000000, -0.0012672700000000, 0.0003742200000000 ] - [ -0.0001280400000000, -0.0012369600000000, -0.0000929800000000 ] - [ -0.0004339000000000, -0.0011373400000000, -0.0001603300000000 ] - [ -0.0009213700000000, -0.0006364400000000, -0.0032492300000000 ] - [ 0.0007331600000000, 0.0002078900000000, -0.0005023500000000 ] - [ -0.0001956500000000, -0.0021700000000000, 0.0003161500000000 ] - [ -0.0000972300000000, -0.0007467000000000, -0.0000122800000000 ] - [ -0.0012674300000000, 0.0119349900000000, 0.0065256600000000 ] - [ -0.0000211000000000, 0.0008953600000000, 0.0002103500000000 ] - [ -0.0014168700000000, -0.0018897100000000, -0.0007121800000000 ] - [ 0.0001025300000000, -0.0010942900000000, -0.0003412700000000 ] - [ 0.0003518100000000, -0.0009080500000000, -0.0000046400000000 ] - [ 0.0005552600000000, -0.0009786700000000, 0.0000463300000000 ] - [ 0.0010950100000000, -0.0024194400000000, 0.0001137900000000 ] - [ -0.0003053700000000, -0.0003310500000000, -0.0002446300000000 ] - [ 0.0008687500000000, -0.0002064700000000, 0.0005125000000000 ] - [ -0.0021850400000000, -0.0008141000000000, -0.0001010100000000 ] - [ 0.0002798100000000, 0.0021293700000000, 0.0010159700000000 ] - [ -0.0001561900000000, 0.0008136800000000, 0.0000719700000000 ] - [ -0.0001839900000000, 0.0023375500000000, -0.0006383500000000 ] - [ 0.0001007600000000, 0.0011264700000000, -0.0003205500000000 ] - [ -0.0088460200000000, 0.0330619000000000, -0.0087813500000000 ] - [ 0.0000086400000000, 0.0005277300000000, -0.0003357100000000 ] - [ 0.0021125700000000, -0.0010307400000000, 0.0025094700000000 ] - [ -0.0004724700000000, -0.0000505200000000, -0.0001473900000000 ] - [ 0.0004597300000000, -0.0017130500000000, 0.0001036200000000 ] - [ -0.0006269100000000, -0.0003061900000000, -0.0001088000000000 ] - [ -0.0008283000000000, -0.0018425600000000, -0.0002116000000000 ] - [ -0.0006752200000000, -0.0005972500000000, 0.0002936200000000 ] - [ -0.0005439300000000, -0.0005917700000000, -0.0000406500000000 ] - [ 0.0001961800000000, 0.0000022700000000, 0.0000324800000000 ] - [ -0.0005624500000000, -0.0042097800000000, -0.0003224800000000 ] - [ 0.0005699600000000, -0.0005716900000000, 0.0003647900000000 ] - [ -0.0007673100000000, -0.0000681700000000, -0.0002946700000000 ] - [ 0.0008456100000000, -0.0001182500000000, 0.0002600900000000 ] - [ -0.0002590400000000, -0.0006829300000000, -0.0003062500000000 ] - [ -0.0000565400000000, -0.0008047100000000, -0.0002445800000000 ] - [ -0.0017367400000000, 0.0122743000000000, 0.0041195600000000 ] - [ -0.0007191200000000, 0.0009324700000000, 0.0000262700000000 ] - [ -0.0002339000000000, -0.0010063200000000, 0.0000622200000000 ] - [ 0.0002032000000000, -0.0004800000000000, 0.0001449600000000 ] - [ 0.0006503800000000, -0.0009052900000000, -0.0000571200000000 ] - [ 0.0006065900000000, -0.0006008200000000, -0.0000751500000000 ] - [ -0.0002200600000000, -0.0014555900000000, 0.0003432100000000 ] - [ -0.0004312900000000, -0.0005095900000000, 0.0006168500000000 ] - [ 0.0003318400000000, -0.0008406900000000, 0.0002160200000000 ] - [ -0.0003672000000000, -0.0001819500000000, -0.0000650900000000 ] - [ -0.0002338100000000, -0.0011252900000000, 0.0001583300000000 ] - [ 0.0004437200000000, 0.0005516700000000, 0.0002925200000000 ] - [ 0.0015640100000000, -0.0022697200000000, 0.0000394300000000 ] - [ 0.0000470100000000, -0.0000714600000000, -0.0002805700000000 ] - [ 0.0000180300000000, -0.0013195500000000, -0.0006626800000000 ] - [ -0.0000572100000000, -0.0005301200000000, -0.0006557000000000 ] - [ 0.0002034100000000, 0.0021661800000000, 0.0000127500000000 ] - [ -0.0000294200000000, 0.0003675600000000, 0.0000132200000000 ] - [ 0.0001898400000000, -0.0010825900000000, 0.0001821700000000 ] - [ -0.0000119200000000, -0.0001170400000000, 0.0001774100000000 ] - [ 0.0031495200000000, -0.0016790300000000, -0.0019052700000000 ] - [ 0.0001327000000000, -0.0001766700000000, -0.0004400100000000 ] - [ -0.0098844400000000, 0.0250696700000000, -0.0044438200000000 ] - [ -0.0001867100000000, 0.0003607300000000, -0.0001641300000000 ] - [ -0.0021836500000000, -0.0008204300000000, 0.0010869900000000 ] - [ 0.0005748200000000, -0.0000604500000000, 0.0004224700000000 ] - [ 0.0000855400000000, -0.0022301100000000, 0.0000843600000000 ] - [ 0.0003662500000000, -0.0009363900000000, -0.0002296200000000 ] - [ 0.0007119600000000, 0.0012545100000000, -0.0000959900000000 ] - [ -0.0015978600000000, 0.0009889000000000, -0.0014426200000000 ] - [ -0.0001884100000000, -0.0007994700000000, 0.0001523200000000 ] - [ 0.0003506800000000, 0.0000209300000000, 0.0003289000000000 ] - [ -0.0004941900000000, -0.0008986100000000, -0.0002233200000000 ] - [ 0.0000157700000000, -0.0003816400000000, -0.0000262800000000 ] - [ -0.0004730400000000, 0.0029358200000000, -0.0002718700000000 ] - [ 0.0000462000000000, 0.0011265300000000, 0.0003778100000000 ] - [ 0.0029647500000000, 0.0040704300000000, 0.0001055000000000 ] - [ -0.0018025900000000, 0.0022085500000000, -0.0000220000000000 ] - [ 0.0000580800000000, -0.0012713400000000, 0.0001647900000000 ] - [ -0.0003683500000000, -0.0011369100000000, 0.0000565800000000 ] - [ 0.0012449800000000, -0.0002074000000000, 0.0002194300000000 ] - [ -0.0009947600000000, -0.0008891500000000, -0.0005338600000000 ] - [ -0.0007798800000000, -0.0015399500000000, 0.0001447200000000 ] - [ -0.0001931000000000, -0.0006961900000000, 0.0002066600000000 ] - [ 0.0159160200000000, 0.0192871500000000, 0.0026850400000000 ] - [ 0.0004651300000000, 0.0009742600000000, 0.0007174700000000 ] - [ 0.0001679700000000, -0.0008104400000000, -0.0001589200000000 ] - [ 0.0002694500000000, -0.0006212000000000, -0.0001148100000000 ] - [ -0.0022538600000000, 0.0010304400000000, -0.0011588200000000 ] - [ 0.0025594000000000, 0.0018683400000000, -0.0008406100000000 ] - [ 0.0003548500000000, -0.0010170300000000, 0.0005004600000000 ] - [ 0.0002854600000000, -0.0004247400000000, 0.0004528100000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0028218300000000, 0.0054293900000000, 0.0006063800000000 ] - [ 0.0022753500000000, 0.0098024000000000, 0.0000343600000000 ] - [ -0.0041286100000000, -0.0050685000000000, -0.0113284600000000 ] - [ 0.0006974400000000, 0.0015691700000000, 0.0001397800000000 ] - [ -0.0006165600000000, 0.0079980800000000, -0.0011431500000000 ] - [ -0.0001982000000000, 0.0046681400000000, -0.0000559600000000 ] - [ 0.0012199300000000, -0.0056284200000000, 0.0075661100000000 ] - [ -0.0007615900000000, 0.0005058200000000, 0.0002490300000000 ] - [ 0.0007417100000000, -0.0022647100000000, 0.0002655300000000 ] - [ -0.0015713100000000, -0.0017198000000000, 0.0000338400000000 ] - [ 0.0057733700000000, -0.0074685300000000, -0.0092499300000000 ] - [ -0.0001368300000000, 0.0003418200000000, -0.0005374600000000 ] - [ -0.0002055300000000, -0.0021594800000000, 0.0000474000000000 ] - [ -0.0000711000000000, -0.0006895000000000, 0.0000869500000000 ] - [ 0.0015575800000000, -0.0016671600000000, 0.0004603400000000 ] - [ -0.0008548100000000, -0.0012598500000000, -0.0005553600000000 ] - [ -0.0007471900000000, -0.0014601800000000, -0.0002752100000000 ] - [ 0.0007781200000000, -0.0016440500000000, 0.0004404800000000 ] - [ -0.0010786800000000, -0.0013429400000000, -0.0002188900000000 ] - [ 0.0010932800000000, -0.0014982600000000, 0.0000228900000000 ] - [ -0.0000674800000000, -0.0024807200000000, 0.0001891500000000 ] - [ 0.0002544300000000, -0.0011437700000000, 0.0002458200000000 ] - [ -0.0093781500000000, -0.0061458000000000, 0.0086795700000000 ] - [ 0.0010782400000000, 0.0013983100000000, 0.0004207200000000 ] - [ -0.0067575000000000, -0.0049573100000000, -0.0021364900000000 ] - [ 0.0012246700000000, 0.0003796700000000, 0.0000556700000000 ] - [ 0.0081233400000000, 0.1290364600000000, 0.0076036800000000 ] - [ 0.0003952500000000, 0.0011374100000000, 0.0001687900000000 ] - [ -0.0018115000000000, -0.0001419900000000, -0.0005589500000000 ] - [ 0.0009684800000000, -0.0002099600000000, 0.0006952200000000 ] - [ 0.0004221600000000, -0.0030220600000000, -0.0000277400000000 ] - [ 0.0003699800000000, -0.0014248900000000, -0.0001349400000000 ] - [ 0.0008845300000000, -0.0046322100000000, 0.0003034300000000 ] - [ 0.0007059100000000, -0.0014077500000000, 0.0003918000000000 ] - [ 0.0010279000000000, 0.0004064600000000, 0.0010482600000000 ] - [ -0.0021154400000000, 0.0003280300000000, -0.0000205700000000 ] - [ -0.0005024300000000, -0.0024517200000000, -0.0001528700000000 ] - [ -0.0004965200000000, -0.0017429100000000, -0.0001121500000000 ] - [ 0.0013009500000000, 0.0064589200000000, -0.0027260800000000 ] - [ 0.0003221600000000, 0.0011447600000000, -0.0000979700000000 ] - [ 0.0006664300000000, -0.0024212200000000, -0.0006516300000000 ] - [ 0.0009175000000000, -0.0007804400000000, -0.0005365000000000 ] - [ 0.0001410000000000, -0.0038980800000000, 0.0000201500000000 ] - [ 0.0000751500000000, -0.0006299100000000, 0.0000690400000000 ] - [ -0.0002640400000000, -0.0022773300000000, 0.0000213000000000 ] - [ -0.0002365300000000, -0.0017789200000000, 0.0000294700000000 ] - [ 0.0095504500000000, -0.0063303400000000, 0.0011154100000000 ] - [ -0.0021599900000000, -0.0002177800000000, -0.0005000000000000 ] - [ -0.0105595500000000, -0.0179070200000000, -0.0016472200000000 ] - [ -0.0005269700000000, -0.0010167400000000, 0.0001117200000000 ] - [ 0.0006473400000000, 0.0042931100000000, 0.0001850500000000 ] - [ -0.0003349000000000, 0.0000123200000000, 0.0001053200000000 ] - [ 0.0006837000000000, -0.0006167800000000, 0.0000666200000000 ] - [ -0.0017445000000000, -0.0012223900000000, -0.0018622800000000 ] - [ -0.0001155900000000, 0.0007816800000000, 0.0002623600000000 ] - [ 0.0000948700000000, 0.0000423500000000, 0.0003753200000000 ] - [ -0.0002626600000000, 0.0008012400000000, -0.0001550100000000 ] - [ 0.0000411100000000, 0.0007015200000000, -0.0000880500000000 ] - [ 0.0015560100000000, 0.0003711900000000, 0.0019843400000000 ] - [ -0.0001081700000000, -0.0004666500000000, -0.0007757500000000 ] - [ 0.0000679900000000, 0.0014745600000000, -0.0003172100000000 ] - [ -0.0000294800000000, 0.0000469400000000, 0.0000145200000000 ] - [ 0.0010962900000000, -0.0117228300000000, -0.0062969700000000 ] - [ -0.0001836900000000, -0.0006018000000000, 0.0001281700000000 ] - [ 0.0005659800000000, 0.0006201300000000, -0.0000077600000000 ] - [ -0.0009603400000000, -0.0001766600000000, -0.0003807500000000 ] - [ 0.0007676800000000, 0.0009720700000000, 0.0001690300000000 ] - [ 0.0005614800000000, 0.0010424100000000, 0.0001173500000000 ] - [ -0.0007560100000000, 0.0023870300000000, -0.0003677600000000 ] - [ 0.0006402900000000, 0.0003005400000000, -0.0000124100000000 ] - [ -0.0016514000000000, 0.0005585700000000, -0.0000406600000000 ] - [ 0.0013937100000000, 0.0011656900000000, 0.0005700000000000 ] - [ -0.0000199600000000, -0.0016892500000000, -0.0007391300000000 ] - [ 0.0004207600000000, -0.0003917400000000, 0.0001979100000000 ] - [ -0.0003054700000000, -0.0020614500000000, -0.0002671200000000 ] - [ -0.0005787400000000, -0.0008390000000000, -0.0005799300000000 ] - [ 0.0086721500000000, -0.0311176100000000, 0.0074467600000000 ] - [ 0.0006881900000000, -0.0007390000000000, -0.0001398400000000 ] - [ -0.0019846000000000, 0.0003345600000000, -0.0025082000000000 ] - [ 0.0005985300000000, -0.0006439200000000, 0.0001453600000000 ] - [ -0.0012330000000000, 0.0015739100000000, -0.0000792500000000 ] - [ -0.0001420200000000, 0.0001632600000000, 0.0001320700000000 ] - [ -0.0005726900000000, 0.0012514300000000, 0.0007798600000000 ] - [ -0.0007246700000000, 0.0000020200000000, 0.0002704300000000 ] - [ 0.0004787400000000, 0.0007411200000000, -0.0000673800000000 ] - [ -0.0002643800000000, 0.0001492900000000, -0.0001396700000000 ] - [ 0.0014109600000000, 0.0029256100000000, 0.0010415900000000 ] - [ 0.0002864400000000, -0.0006939600000000, 0.0003565400000000 ] - [ 0.0005554700000000, 0.0011553100000000, -0.0000193000000000 ] - [ -0.0010625600000000, 0.0012059900000000, -0.0005759400000000 ] - [ 0.0000977500000000, 0.0009892700000000, -0.0002170800000000 ] - [ -0.0001075000000000, 0.0011111000000000, -0.0002796000000000 ] - [ 0.0003789300000000, -0.0118583200000000, -0.0038737800000000 ] - [ -0.0006098500000000, -0.0005868200000000, 0.0000875500000000 ] - [ 0.0000012200000000, 0.0013797200000000, -0.0000423400000000 ] - [ -0.0004342000000000, 0.0008532600000000, -0.0001245500000000 ] - [ 0.0006795400000000, 0.0012517900000000, -0.0000564700000000 ] - [ 0.0007213700000000, 0.0009468700000000, -0.0000386900000000 ] - [ -0.0004038100000000, 0.0011976300000000, 0.0009343900000000 ] - [ -0.0001939800000000, 0.0002540300000000, 0.0006616500000000 ] - [ -0.0002621700000000, 0.0009947500000000, -0.0001084400000000 ] - [ 0.0004344400000000, 0.0003360500000000, 0.0001729000000000 ] - [ 0.0004459800000000, 0.0022151600000000, 0.0001580000000000 ] - [ -0.0002305900000000, 0.0005404700000000, 0.0000230200000000 ] - [ -0.0007853400000000, 0.0026200700000000, -0.0005119600000000 ] - [ 0.0007407300000000, 0.0004190200000000, -0.0001895200000000 ] - [ -0.0002187400000000, 0.0013827600000000, -0.0006861400000000 ] - [ -0.0001443100000000, 0.0005939200000000, -0.0006933900000000 ] - [ 0.0001959400000000, -0.0026260500000000, 0.0002324900000000 ] - [ 0.0004206900000000, -0.0008058600000000, 0.0002345200000000 ] - [ -0.0001541300000000, 0.0021794100000000, 0.0002398600000000 ] - [ 0.0000494200000000, 0.0012120800000000, 0.0002451800000000 ] - [ -0.0017377900000000, 0.0010825400000000, 0.0013328900000000 ] - [ 0.0012665500000000, -0.0004137500000000, -0.0001237400000000 ] - [ 0.0114400200000000, -0.0268102000000000, 0.0046326700000000 ] - [ 0.0005804800000000, -0.0007661700000000, -0.0000650800000000 ] - [ 0.0014806600000000, -0.0002292600000000, -0.0006481500000000 ] - [ -0.0012822500000000, -0.0009837100000000, 0.0000152600000000 ] - [ 0.0006223300000000, 0.0011896400000000, -0.0005193900000000 ] - [ 0.0003423300000000, -0.0001016900000000, -0.0002075000000000 ] - [ -0.0006831200000000, -0.0024729700000000, -0.0006541500000000 ] - [ 0.0016298400000000, -0.0022084100000000, 0.0006971100000000 ] - [ 0.0002280100000000, 0.0020197600000000, 0.0004067900000000 ] - [ -0.0003082200000000, 0.0012011300000000, 0.0002309200000000 ] - [ 0.0002335600000000, 0.0013191000000000, -0.0000460500000000 ] - [ -0.0002792600000000, 0.0008013000000000, -0.0002439700000000 ] - [ 0.0006448300000000, -0.0026153500000000, 0.0008012300000000 ] - [ 0.0001123900000000, -0.0008177000000000, 0.0001459400000000 ] - [ -0.0029958200000000, -0.0029610000000000, -0.0005259500000000 ] - [ 0.0017706000000000, -0.0011086500000000, -0.0004018700000000 ] - [ -0.0004533900000000, 0.0008685400000000, 0.0000650500000000 ] - [ -0.0000296600000000, 0.0007340800000000, 0.0001723000000000 ] - [ -0.0004714600000000, 0.0000691400000000, -0.0002418900000000 ] - [ 0.0017627300000000, 0.0007506400000000, 0.0005106300000000 ] - [ 0.0000855000000000, 0.0013305900000000, 0.0003307000000000 ] - [ -0.0005046900000000, 0.0004827700000000, 0.0002684800000000 ] - [ -0.0163880400000000, -0.0194177600000000, -0.0014394200000000 ] - [ -0.0002622100000000, -0.0009123800000000, 0.0006319700000000 ] - [ 0.0000381200000000, 0.0011036800000000, -0.0001784900000000 ] - [ -0.0000656200000000, 0.0009152400000000, -0.0002234100000000 ] - [ 0.0022006200000000, 0.0001815900000000, 0.0005940600000000 ] - [ -0.0026036700000000, -0.0006537200000000, 0.0002811800000000 ] - [ 0.0001234000000000, 0.0013046400000000, 0.0004019500000000 ] - [ 0.0001919500000000, 0.0007126100000000, 0.0004493600000000 ]- atom: 27 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0040556100000000, -0.0003309600000000, -0.0006341700000000 ] - [ 0.0006554900000000, 0.0004663300000000, -0.0032939300000000 ] - [ 0.0064672000000000, 0.0113287900000000, 0.0032452600000000 ] - [ 0.0000951400000000, 0.0003720600000000, 0.0000723000000000 ] - [ 0.0062620300000000, 0.0010125300000000, 0.0024117000000000 ] - [ -0.0003043000000000, 0.0004857500000000, 0.0015047500000000 ] - [ 0.0010608500000000, -0.0041462400000000, 0.0018109700000000 ] - [ -0.0001589700000000, 0.0002702100000000, 0.0004795700000000 ] - [ -0.0006277800000000, 0.0002987300000000, 0.0002502900000000 ] - [ -0.0004093100000000, 0.0001425500000000, 0.0000690200000000 ] - [ -0.0029369000000000, 0.0093085900000000, 0.0000975500000000 ] - [ 0.0005470500000000, -0.0000512500000000, -0.0004262500000000 ] - [ -0.0000483900000000, 0.0008250800000000, 0.0000580400000000 ] - [ -0.0000031000000000, 0.0007634200000000, 0.0000916400000000 ] - [ 0.0003518500000000, 0.0000237600000000, -0.0002106500000000 ] - [ 0.0001906600000000, 0.0004802700000000, 0.0000426100000000 ] - [ 0.0000300500000000, 0.0005406900000000, 0.0001535900000000 ] - [ -0.0002498000000000, 0.0004642100000000, 0.0002477900000000 ] - [ -0.0002013100000000, 0.0004019400000000, -0.0002407100000000 ] - [ -0.0002273400000000, 0.0005481100000000, -0.0004129300000000 ] - [ 0.0001470400000000, 0.0003897900000000, 0.0002531800000000 ] - [ 0.0002429700000000, 0.0003492400000000, 0.0002553300000000 ] - [ -0.0049868500000000, -0.0081926700000000, 0.0020652400000000 ] - [ 0.0003094900000000, 0.0005150800000000, 0.0001440700000000 ] - [ 0.0003228000000000, -0.0006736800000000, -0.0022888700000000 ] - [ -0.0006110400000000, 0.0002187700000000, -0.0003005500000000 ] - [ 0.0303200500000000, -0.0056324100000000, -0.1235525800000000 ] - [ 0.0003426500000000, -0.0003737800000000, 0.0001389600000000 ] - [ -0.0007117700000000, -0.0008511000000000, 0.0020459400000000 ] - [ 0.0000301900000000, -0.0009834800000000, 0.0002001800000000 ] - [ 0.0001916500000000, -0.0005180400000000, 0.0000825200000000 ] - [ 0.0004899100000000, -0.0006545700000000, -0.0001053300000000 ] - [ 0.0008493400000000, -0.0006907100000000, 0.0000373100000000 ] - [ 0.0006799200000000, -0.0006876600000000, 0.0003610200000000 ] - [ -0.0015912900000000, 0.0001821800000000, 0.0023140100000000 ] - [ -0.0003087500000000, 0.0000860600000000, 0.0006986200000000 ] - [ -0.0004739800000000, -0.0003345500000000, -0.0002014400000000 ] - [ -0.0004944700000000, -0.0002971100000000, -0.0001727700000000 ] - [ -0.0064659000000000, -0.0030587200000000, 0.0239553500000000 ] - [ 0.0005656000000000, -0.0003335300000000, 0.0000144300000000 ] - [ 0.0008256100000000, 0.0000627900000000, -0.0001884200000000 ] - [ 0.0009028200000000, -0.0000882200000000, -0.0005134600000000 ] - [ 0.0000403700000000, -0.0000018400000000, -0.0002120700000000 ] - [ 0.0001721100000000, 0.0000628700000000, 0.0000954300000000 ] - [ -0.0003035700000000, -0.0002931900000000, 0.0001115500000000 ] - [ -0.0002854300000000, -0.0002734700000000, 0.0000861200000000 ] - [ 0.0010946200000000, -0.0011044500000000, -0.0025429800000000 ] - [ -0.0009749600000000, -0.0008268400000000, -0.0003565300000000 ] - [ -0.0043271800000000, -0.0007159600000000, 0.0096204300000000 ] - [ -0.0004002200000000, -0.0001003600000000, -0.0000084100000000 ] - [ -0.0004297900000000, 0.0004286100000000, 0.0010933400000000 ] - [ -0.0001297400000000, -0.0000067300000000, 0.0001420300000000 ] - [ 0.0002233500000000, 0.0001536500000000, -0.0006445100000000 ] - [ -0.0006759600000000, 0.0007636900000000, -0.0004260800000000 ] - [ 0.0000161700000000, -0.0006892200000000, 0.0003370900000000 ] - [ -0.0000396900000000, -0.0006281500000000, 0.0003718500000000 ] - [ -0.0001787700000000, -0.0002235100000000, -0.0001757400000000 ] - [ -0.0002211000000000, -0.0003116800000000, -0.0001243100000000 ] - [ -0.0012740400000000, -0.0014337900000000, -0.0009965800000000 ] - [ 0.0003770900000000, -0.0000936200000000, -0.0008484100000000 ] - [ -0.0000192700000000, -0.0001819300000000, -0.0000284900000000 ] - [ -0.0000732400000000, -0.0003500200000000, -0.0000023200000000 ] - [ -0.0119106700000000, 0.0060736900000000, 0.0417645200000000 ] - [ -0.0001271100000000, 0.0001557700000000, 0.0001479400000000 ] - [ -0.0005249300000000, -0.0006603700000000, -0.0001275900000000 ] - [ -0.0003316700000000, -0.0007628700000000, -0.0003192100000000 ] - [ 0.0005413600000000, 0.0000178900000000, 0.0000995700000000 ] - [ 0.0005804200000000, -0.0000055500000000, 0.0000939500000000 ] - [ 0.0000468600000000, 0.0003689400000000, 0.0001066200000000 ] - [ 0.0002027900000000, -0.0000052300000000, -0.0001426300000000 ] - [ -0.0004959600000000, 0.0001875200000000, 0.0004377600000000 ] - [ 0.0001385700000000, 0.0005552800000000, 0.0004332600000000 ] - [ 0.0013489300000000, 0.0009767500000000, -0.0048583200000000 ] - [ -0.0000529400000000, 0.0002293500000000, 0.0000638500000000 ] - [ 0.0014024900000000, 0.0008708400000000, -0.0053743100000000 ] - [ -0.0004422300000000, 0.0001701300000000, -0.0004605500000000 ] - [ -0.0000646100000000, -0.0058449200000000, 0.0104313500000000 ] - [ 0.0004140900000000, -0.0000816400000000, -0.0002436700000000 ] - [ -0.0003848600000000, 0.0002542100000000, -0.0005186500000000 ] - [ 0.0000657000000000, -0.0003643700000000, -0.0003101300000000 ] - [ -0.0000313700000000, -0.0003614600000000, -0.0006528600000000 ] - [ -0.0004448100000000, -0.0000710900000000, 0.0000092100000000 ] - [ -0.0008264400000000, -0.0007062900000000, 0.0003004400000000 ] - [ -0.0006997500000000, -0.0002927300000000, 0.0002806000000000 ] - [ 0.0001601400000000, 0.0001768700000000, -0.0006887700000000 ] - [ -0.0000857100000000, 0.0001039100000000, -0.0000579700000000 ] - [ 0.0004503000000000, -0.0006865400000000, 0.0019763800000000 ] - [ 0.0004237800000000, -0.0006409000000000, 0.0003691200000000 ] - [ -0.0001344000000000, 0.0004865000000000, -0.0003870000000000 ] - [ -0.0002177200000000, 0.0007779200000000, -0.0002051800000000 ] - [ -0.0000929000000000, 0.0001345500000000, -0.0002797100000000 ] - [ -0.0000720400000000, 0.0001270100000000, -0.0002595000000000 ] - [ -0.0085722300000000, 0.0046742200000000, 0.0322825600000000 ] - [ -0.0006883300000000, 0.0001841100000000, 0.0000628700000000 ] - [ -0.0000786200000000, 0.0000958200000000, -0.0000189300000000 ] - [ -0.0001584100000000, 0.0001979500000000, -0.0000044800000000 ] - [ 0.0006654600000000, 0.0001393700000000, -0.0000513600000000 ] - [ 0.0006553300000000, 0.0001374600000000, -0.0000442800000000 ] - [ -0.0002889000000000, -0.0002596600000000, 0.0006985700000000 ] - [ -0.0003446000000000, -0.0001488900000000, 0.0006419200000000 ] - [ 0.0001485300000000, 0.0001204100000000, -0.0002104700000000 ] - [ -0.0001095400000000, 0.0000028500000000, -0.0000023000000000 ] - [ 0.0005159700000000, 0.0002076800000000, -0.0009958200000000 ] - [ 0.0000305800000000, 0.0005588900000000, 0.0001288900000000 ] - [ 0.0003576100000000, 0.0000566600000000, 0.0004140400000000 ] - [ 0.0004126500000000, 0.0002119000000000, -0.0002336500000000 ] - [ -0.0000849400000000, 0.0000325200000000, -0.0006340800000000 ] - [ -0.0001072800000000, 0.0000152600000000, -0.0006725900000000 ] - [ 0.0019302100000000, 0.0002416700000000, -0.0055376000000000 ] - [ 0.0001068300000000, -0.0002361600000000, 0.0001115000000000 ] - [ 0.0000232400000000, 0.0004923200000000, 0.0002637700000000 ] - [ 0.0000138000000000, 0.0005443900000000, 0.0002113200000000 ] - [ 0.0013474700000000, -0.0014724500000000, 0.0002609300000000 ] - [ 0.0006046100000000, -0.0003001600000000, -0.0000953800000000 ] - [ -0.0016219700000000, -0.0010459100000000, 0.0098686600000000 ] - [ 0.0003894500000000, -0.0001007400000000, -0.0000903800000000 ] - [ 0.0000882000000000, -0.0000787200000000, 0.0001847000000000 ] - [ -0.0004516500000000, -0.0004816400000000, 0.0004950300000000 ] - [ 0.0004057200000000, -0.0003966600000000, -0.0002604200000000 ] - [ 0.0003270600000000, -0.0005344400000000, -0.0002266000000000 ] - [ 0.0004215100000000, -0.0006272600000000, -0.0011596400000000 ] - [ -0.0009242700000000, -0.0006195500000000, -0.0004155800000000 ] - [ 0.0000425400000000, 0.0005622600000000, 0.0003417200000000 ] - [ 0.0000279900000000, 0.0005901200000000, 0.0002838400000000 ] - [ -0.0001352000000000, 0.0001797200000000, -0.0001898200000000 ] - [ -0.0001363800000000, 0.0002099600000000, -0.0001268600000000 ] - [ 0.0012227400000000, 0.0005170800000000, -0.0047747500000000 ] - [ -0.0003726200000000, 0.0003929800000000, 0.0001624100000000 ] - [ -0.0004265400000000, 0.0002258400000000, 0.0010690800000000 ] - [ 0.0004305600000000, 0.0006955600000000, -0.0000711700000000 ] - [ -0.0002312100000000, -0.0001885800000000, 0.0001579000000000 ] - [ -0.0001746700000000, -0.0002394100000000, 0.0001117500000000 ] - [ 0.0004975200000000, -0.0000982600000000, -0.0002180400000000 ] - [ -0.0006217200000000, -0.0009012000000000, -0.0000698900000000 ] - [ -0.0003662800000000, -0.0001081700000000, 0.0002853800000000 ] - [ -0.0003347100000000, -0.0001299200000000, 0.0002455800000000 ] - [ -0.0051856600000000, -0.0017685400000000, 0.0085051400000000 ] - [ 0.0002606700000000, 0.0001007500000000, 0.0007631700000000 ] - [ 0.0000958100000000, 0.0001188300000000, -0.0001692000000000 ] - [ 0.0001161200000000, 0.0001108600000000, -0.0001752400000000 ] - [ 0.0001164500000000, 0.0006696200000000, 0.0003842900000000 ] - [ 0.0012432600000000, 0.0002189100000000, -0.0000390400000000 ] - [ 0.0002641400000000, 0.0001129400000000, 0.0004270300000000 ] - [ 0.0002141100000000, 0.0001219500000000, 0.0004463900000000 ]- atom: 27 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ 0.0036424900000000, 0.0009672000000000, 0.0000924600000000 ] - [ -0.0011023000000000, 0.0001801000000000, 0.0027723600000000 ] - [ -0.0062150000000000, -0.0105268700000000, -0.0035334900000000 ] - [ 0.0001137800000000, 0.0003775100000000, -0.0003348800000000 ] - [ -0.0062395500000000, 0.0004454900000000, -0.0025296800000000 ] - [ 0.0003829100000000, 0.0009686000000000, -0.0016418900000000 ] - [ -0.0014512900000000, 0.0047159200000000, -0.0011463100000000 ] - [ -0.0002522200000000, 0.0003192300000000, 0.0002137300000000 ] - [ -0.0004200100000000, -0.0002927100000000, 0.0004502300000000 ] - [ -0.0006387900000000, -0.0001376800000000, 0.0006334600000000 ] - [ 0.0039903500000000, -0.0093498800000000, -0.0007597100000000 ] - [ 0.0005034600000000, 0.0000583200000000, -0.0002744900000000 ] - [ -0.0000136100000000, 0.0006305300000000, 0.0000843700000000 ] - [ -0.0000591300000000, 0.0006921900000000, 0.0000517000000000 ] - [ 0.0000578400000000, 0.0005647700000000, -0.0004797800000000 ] - [ 0.0002207900000000, 0.0001108400000000, -0.0007345000000000 ] - [ -0.0002415100000000, 0.0002082300000000, 0.0001117200000000 ] - [ 0.0000404000000000, 0.0002842800000000, 0.0000164500000000 ] - [ -0.0001752800000000, 0.0006222100000000, -0.0002766100000000 ] - [ -0.0001500100000000, 0.0004773500000000, -0.0001029300000000 ] - [ 0.0002609100000000, 0.0002495100000000, 0.0002610900000000 ] - [ 0.0001654300000000, 0.0002898900000000, 0.0002582200000000 ] - [ 0.0053773000000000, 0.0092732600000000, -0.0015027500000000 ] - [ 0.0000702700000000, 0.0005077300000000, 0.0003741800000000 ] - [ -0.0006103100000000, 0.0007786800000000, 0.0021141600000000 ] - [ 0.0003094200000000, -0.0001433900000000, 0.0001180400000000 ] - [ -0.0293051000000000, 0.0044061500000000, 0.1234653800000000 ] - [ 0.0006370000000000, -0.0003335600000000, 0.0002017900000000 ] - [ -0.0000704300000000, -0.0005568100000000, -0.0017927400000000 ] - [ -0.0007998900000000, -0.0004084100000000, 0.0000550900000000 ] - [ 0.0005823300000000, -0.0008712300000000, -0.0003420800000000 ] - [ 0.0002851000000000, -0.0007376000000000, -0.0001546200000000 ] - [ 0.0005553000000000, -0.0006760000000000, 0.0006819200000000 ] - [ 0.0007255900000000, -0.0006835300000000, 0.0003568500000000 ] - [ -0.0001466600000000, -0.0003250400000000, -0.0012617700000000 ] - [ -0.0014135300000000, -0.0002428900000000, 0.0003522600000000 ] - [ -0.0005036800000000, -0.0003750600000000, -0.0001343300000000 ] - [ -0.0004827200000000, -0.0004120000000000, -0.0001623200000000 ] - [ 0.0070602000000000, 0.0023838600000000, -0.0240869600000000 ] - [ 0.0000261900000000, -0.0003479300000000, -0.0001550300000000 ] - [ 0.0009010500000000, -0.0002296900000000, -0.0008699300000000 ] - [ 0.0008233900000000, -0.0000755700000000, -0.0005444400000000 ] - [ 0.0002587000000000, 0.0000759200000000, 0.0004048600000000 ] - [ 0.0001284400000000, 0.0000155800000000, 0.0000980900000000 ] - [ -0.0002931400000000, -0.0003932300000000, 0.0000398200000000 ] - [ -0.0003103900000000, -0.0004130700000000, 0.0000653100000000 ] - [ -0.0024770500000000, -0.0002882700000000, 0.0018138600000000 ] - [ -0.0004318500000000, -0.0005451100000000, -0.0003665800000000 ] - [ 0.0030292100000000, 0.0006747800000000, -0.0097993500000000 ] - [ -0.0007196300000000, 0.0001667000000000, -0.0001528300000000 ] - [ 0.0000938100000000, -0.0004729300000000, -0.0008346100000000 ] - [ -0.0002058700000000, -0.0000248200000000, 0.0001156000000000 ] - [ 0.0000141700000000, 0.0002227800000000, 0.0006264500000000 ] - [ 0.0009012900000000, -0.0003853200000000, 0.0004139000000000 ] - [ -0.0000460600000000, -0.0005321800000000, 0.0004133800000000 ] - [ 0.0000100600000000, -0.0005935500000000, 0.0003784500000000 ] - [ -0.0002119200000000, -0.0002109000000000, -0.0000704900000000 ] - [ -0.0001704100000000, -0.0001227800000000, -0.0001222700000000 ] - [ 0.0019118900000000, 0.0011865100000000, -0.0002923900000000 ] - [ 0.0002475500000000, -0.0001607100000000, -0.0004293100000000 ] - [ -0.0001091300000000, -0.0005144800000000, 0.0000332000000000 ] - [ -0.0000545800000000, -0.0003460800000000, 0.0000049700000000 ] - [ 0.0109391700000000, -0.0050158000000000, -0.0381287900000000 ] - [ -0.0000782400000000, 0.0001409600000000, 0.0001909500000000 ] - [ -0.0003316100000000, -0.0006096100000000, -0.0005946200000000 ] - [ -0.0005239400000000, -0.0005049000000000, -0.0004029200000000 ] - [ 0.0005776400000000, 0.0000486400000000, 0.0000643200000000 ] - [ 0.0005387000000000, 0.0000719400000000, 0.0000697500000000 ] - [ 0.0002879200000000, -0.0003942100000000, -0.0003624100000000 ] - [ 0.0001331800000000, -0.0000257800000000, -0.0001140000000000 ] - [ -0.0002899100000000, 0.0001655700000000, 0.0000336400000000 ] - [ -0.0009246300000000, -0.0002038700000000, 0.0000353300000000 ] - [ -0.0010812700000000, -0.0005731500000000, 0.0051376900000000 ] - [ 0.0003176000000000, 0.0001933900000000, 0.0002053800000000 ] - [ -0.0018582000000000, -0.0005676900000000, 0.0044685900000000 ] - [ -0.0000353800000000, 0.0001215400000000, -0.0004384700000000 ] - [ 0.0007707500000000, 0.0055862600000000, -0.0108327000000000 ] - [ 0.0002821600000000, -0.0001286600000000, -0.0002305500000000 ] - [ 0.0005138700000000, -0.0009506800000000, 0.0005063900000000 ] - [ 0.0000611300000000, -0.0003322500000000, 0.0003080800000000 ] - [ -0.0007410200000000, 0.0002247700000000, 0.0006778700000000 ] - [ -0.0003256400000000, -0.0000690200000000, 0.0000136000000000 ] - [ -0.0005733500000000, 0.0001140600000000, 0.0002614900000000 ] - [ -0.0007009400000000, -0.0003009700000000, 0.0002835800000000 ] - [ -0.0002278800000000, -0.0000157300000000, 0.0005835000000000 ] - [ 0.0000179700000000, 0.0000504500000000, -0.0000482200000000 ] - [ 0.0004087900000000, -0.0005740300000000, -0.0012495400000000 ] - [ 0.0004323100000000, -0.0006264800000000, 0.0003534800000000 ] - [ -0.0000771200000000, 0.0006058600000000, 0.0000737000000000 ] - [ 0.0000042900000000, 0.0003132900000000, -0.0001079800000000 ] - [ -0.0000686300000000, 0.0001748800000000, -0.0002424900000000 ] - [ -0.0000898500000000, 0.0001822000000000, -0.0002626000000000 ] - [ 0.0079747100000000, -0.0048984200000000, -0.0351607900000000 ] - [ -0.0006414000000000, 0.0001655700000000, 0.0000511800000000 ] - [ -0.0001531400000000, 0.0002787800000000, 0.0000402300000000 ] - [ -0.0000734000000000, 0.0001775300000000, 0.0000256100000000 ] - [ 0.0006642000000000, 0.0002103600000000, -0.0000610900000000 ] - [ 0.0006741300000000, 0.0002121400000000, -0.0000686300000000 ] - [ -0.0003366300000000, 0.0000044500000000, 0.0005826600000000 ] - [ -0.0002809500000000, -0.0001058700000000, 0.0006372100000000 ] - [ -0.0000784100000000, 0.0000303400000000, 0.0003181600000000 ] - [ 0.0001770700000000, 0.0001506200000000, 0.0001106700000000 ] - [ -0.0003039800000000, 0.0008794200000000, 0.0013095600000000 ] - [ 0.0001818700000000, 0.0005324200000000, 0.0001861600000000 ] - [ 0.0004293500000000, 0.0002903300000000, -0.0008860000000000 ] - [ 0.0003733900000000, 0.0001387200000000, -0.0002359400000000 ] - [ -0.0001157400000000, 0.0000342100000000, -0.0007155700000000 ] - [ -0.0000940200000000, 0.0000510900000000, -0.0006771000000000 ] - [ -0.0015427300000000, -0.0006549000000000, 0.0057714300000000 ] - [ 0.0002856000000000, -0.0001985100000000, 0.0001359500000000 ] - [ 0.0000134400000000, 0.0006050800000000, 0.0001581800000000 ] - [ 0.0000228500000000, 0.0005539000000000, 0.0002109100000000 ] - [ 0.0000552300000000, 0.0008734200000000, -0.0008121400000000 ] - [ 0.0007967900000000, -0.0002921800000000, -0.0004667400000000 ] - [ 0.0018974300000000, 0.0008066300000000, -0.0101589100000000 ] - [ 0.0000057000000000, -0.0002997900000000, -0.0001368900000000 ] - [ -0.0007977000000000, -0.0009598500000000, 0.0002652500000000 ] - [ -0.0002527400000000, -0.0005588800000000, -0.0000561000000000 ] - [ 0.0003029500000000, -0.0006400500000000, -0.0001778300000000 ] - [ 0.0003802500000000, -0.0005024200000000, -0.0002106200000000 ] - [ -0.0003830100000000, -0.0005963700000000, 0.0004120700000000 ] - [ 0.0009510100000000, -0.0006017800000000, -0.0003247100000000 ] - [ -0.0000008600000000, 0.0006627400000000, 0.0002182000000000 ] - [ 0.0000132600000000, 0.0006340900000000, 0.0002764800000000 ] - [ -0.0001269800000000, 0.0002437300000000, -0.0000782900000000 ] - [ -0.0001259900000000, 0.0002125000000000, -0.0001413000000000 ] - [ -0.0010760300000000, -0.0002200200000000, 0.0053011300000000 ] - [ 0.0005356700000000, -0.0000850500000000, 0.0003604000000000 ] - [ 0.0003771100000000, 0.0008754300000000, -0.0014905900000000 ] - [ -0.0004633700000000, 0.0004028600000000, -0.0003584700000000 ] - [ -0.0001641800000000, -0.0002111700000000, 0.0000716600000000 ] - [ -0.0002208000000000, -0.0001611800000000, 0.0001172500000000 ] - [ 0.0002759100000000, -0.0000427100000000, 0.0001966900000000 ] - [ 0.0013896300000000, 0.0007589000000000, 0.0000502900000000 ] - [ -0.0003304900000000, -0.0001031100000000, 0.0001895100000000 ] - [ -0.0003617900000000, -0.0000806000000000, 0.0002292500000000 ] - [ 0.0056221300000000, 0.0019673200000000, -0.0071557200000000 ] - [ -0.0000575000000000, -0.0000350600000000, 0.0005860100000000 ] - [ 0.0001109200000000, 0.0001779500000000, -0.0001681000000000 ] - [ 0.0000900800000000, 0.0001857300000000, -0.0001618100000000 ] - [ -0.0001686600000000, 0.0005511600000000, -0.0009490600000000 ] - [ -0.0012893000000000, 0.0010084400000000, -0.0005293400000000 ] - [ 0.0002130600000000, 0.0001773900000000, 0.0004766000000000 ] - [ 0.0002626200000000, 0.0001688400000000, 0.0004566900000000 ]- atom: 29 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0078796400000000, -0.0041794600000000, 0.0033513600000000 ] - [ 0.0019899500000000, 0.0009329100000000, 0.0002412400000000 ] - [ 0.0006671700000000, 0.0017007000000000, -0.0002170300000000 ] - [ 0.0002284800000000, -0.0011324900000000, 0.0000190100000000 ] - [ -0.0045348800000000, -0.0066143100000000, -0.0063319800000000 ] - [ 0.0025512300000000, 0.0013561600000000, 0.0006913300000000 ] - [ 0.0088539200000000, -0.0000058500000000, -0.0029643900000000 ] - [ 0.0137592600000000, 0.0038971500000000, 0.0054660600000000 ] - [ -0.0012173400000000, 0.0000222200000000, 0.0001679000000000 ] - [ 0.0001205300000000, -0.0000201200000000, 0.0005159900000000 ] - [ 0.0035491900000000, 0.0007080200000000, 0.0083291900000000 ] - [ 0.0025440100000000, 0.0000305900000000, -0.0004983300000000 ] - [ -0.0001095700000000, -0.0007354800000000, -0.0001214600000000 ] - [ 0.0005195400000000, 0.0019285300000000, 0.0002857700000000 ] - [ -0.0003809300000000, 0.0002676800000000, -0.0004977000000000 ] - [ 0.0008019500000000, 0.0002799100000000, -0.0001826100000000 ] - [ -0.0015220400000000, 0.0062294100000000, -0.0041876000000000 ] - [ 0.0024795700000000, -0.0009807300000000, 0.0009227900000000 ] - [ -0.0058722600000000, 0.0030689100000000, 0.0015516500000000 ] - [ 0.0021134700000000, -0.0002072200000000, 0.0002361000000000 ] - [ 0.0002412700000000, -0.0006974700000000, 0.0003974700000000 ] - [ 0.0004628100000000, 0.0012231600000000, 0.0002651900000000 ] - [ 0.0003276600000000, 0.0015607900000000, 0.0005596900000000 ] - [ 0.0004701100000000, -0.0003991600000000, 0.0002442100000000 ] - [ -0.0042466800000000, 0.0001689100000000, -0.0049796700000000 ] - [ 0.0026155500000000, -0.0001293200000000, 0.0007592600000000 ] - [ -0.0004317500000000, 0.0010713700000000, -0.0004072600000000 ] - [ 0.0022844000000000, -0.0017079100000000, 0.0010770200000000 ] - [ -0.1265076700000000, 0.0222759100000000, -0.0071064600000000 ] - [ 0.0026859500000000, -0.0007831100000000, 0.0008024900000000 ] - [ 0.0000081000000000, -0.0007467100000000, -0.0002479500000000 ] - [ 0.0007983600000000, -0.0006646000000000, -0.0000085700000000 ] - [ 0.0000040200000000, -0.0026001000000000, -0.0001913900000000 ] - [ 0.0023713700000000, 0.0006432500000000, 0.0013263500000000 ] - [ -0.0025200300000000, 0.0001067100000000, 0.0001833900000000 ] - [ 0.0001313600000000, -0.0000725000000000, 0.0007584400000000 ] - [ -0.0018150700000000, -0.0003190700000000, -0.0007220100000000 ] - [ 0.0004815100000000, -0.0003737300000000, 0.0001963100000000 ] - [ 0.0024550100000000, 0.0067669800000000, 0.0012907400000000 ] - [ 0.0025617200000000, -0.0019509300000000, 0.0000380500000000 ] - [ 0.0034674000000000, -0.0102494000000000, 0.0017022200000000 ] - [ 0.0031249300000000, 0.0013362400000000, -0.0003891200000000 ] - [ -0.0002486600000000, 0.0000276100000000, 0.0000005600000000 ] - [ 0.0005613500000000, 0.0000307200000000, 0.0001940300000000 ] - [ -0.0020555700000000, -0.0005539600000000, -0.0001440000000000 ] - [ 0.0007413800000000, -0.0003931100000000, 0.0002585100000000 ] - [ -0.0019364500000000, -0.0009184200000000, -0.0008222300000000 ] - [ 0.0002184500000000, -0.0006622700000000, -0.0000869100000000 ] - [ -0.0009544500000000, -0.0005668500000000, -0.0001203000000000 ] - [ -0.0006028900000000, 0.0008541500000000, -0.0003400700000000 ] - [ 0.0007834900000000, 0.0000777200000000, 0.0021666200000000 ] - [ -0.0018709600000000, -0.0001637600000000, -0.0010282500000000 ] - [ 0.0271398500000000, -0.0087988300000000, 0.0018568600000000 ] - [ -0.0019427700000000, -0.0004781900000000, -0.0003315900000000 ] - [ -0.0004727900000000, 0.0007526100000000, 0.0001279500000000 ] - [ -0.0004656000000000, -0.0015357200000000, 0.0004183900000000 ] - [ 0.0001477100000000, -0.0003281800000000, -0.0000795300000000 ] - [ -0.0004800100000000, -0.0001696100000000, -0.0001621400000000 ] - [ 0.0112786400000000, -0.0008489400000000, -0.0018271300000000 ] - [ -0.0010676000000000, 0.0000129800000000, -0.0010185400000000 ] - [ -0.0014488800000000, 0.0021768800000000, 0.0014662300000000 ] - [ -0.0012631800000000, -0.0018884200000000, -0.0004178500000000 ] - [ -0.0005954400000000, -0.0014539300000000, 0.0010708200000000 ] - [ -0.0008968800000000, 0.0009365800000000, -0.0001340200000000 ] - [ 0.0009729600000000, -0.0003338600000000, 0.0012447300000000 ] - [ -0.0015677500000000, -0.0006990800000000, -0.0008900200000000 ] - [ 0.0009069600000000, -0.0009240100000000, 0.0004723100000000 ] - [ 0.0000217900000000, 0.0003568200000000, -0.0001827000000000 ] - [ 0.0005697200000000, 0.0000045200000000, 0.0000216300000000 ] - [ -0.0002004800000000, -0.0000258800000000, -0.0002555300000000 ] - [ -0.0000894500000000, 0.0003961400000000, 0.0003565200000000 ] - [ -0.0007366100000000, 0.0000280200000000, 0.0001151600000000 ] - [ 0.0006749800000000, -0.0011342200000000, 0.0000714700000000 ] - [ -0.0005387000000000, 0.0006071100000000, -0.0000036100000000 ] - [ 0.0126925300000000, 0.0045941100000000, -0.0002285000000000 ] - [ -0.0017842100000000, 0.0001459200000000, -0.0008535500000000 ] - [ 0.0011525300000000, -0.0006794900000000, -0.0000293800000000 ] - [ -0.0002921700000000, 0.0002497400000000, -0.0004270800000000 ] - [ 0.0006427200000000, -0.0000253300000000, 0.0001081600000000 ] - [ -0.0003491600000000, -0.0004279300000000, -0.0001187900000000 ] - [ -0.0038263900000000, 0.0016179600000000, -0.0014774000000000 ] - [ -0.0022762200000000, -0.0014947400000000, 0.0011550200000000 ] - [ 0.0003416000000000, 0.0018319500000000, -0.0020763200000000 ] - [ -0.0016698800000000, -0.0008204300000000, 0.0001187400000000 ] - [ 0.0441284500000000, -0.0226739200000000, 0.0022645900000000 ] - [ -0.0020988700000000, -0.0000549700000000, -0.0001000000000000 ] - [ 0.0005344700000000, -0.0009272900000000, 0.0004206400000000 ] - [ 0.0002902600000000, -0.0003321200000000, 0.0002869000000000 ] - [ 0.0182364300000000, 0.0099849900000000, 0.0010842400000000 ] - [ -0.0018543300000000, 0.0008220200000000, -0.0004382900000000 ] - [ 0.0006191600000000, -0.0012131000000000, -0.0003182300000000 ] - [ -0.0007502700000000, 0.0005181800000000, -0.0003317400000000 ] - [ 0.0000811700000000, -0.0012298000000000, -0.0014593100000000 ] - [ -0.0015631900000000, 0.0007968000000000, -0.0000910500000000 ] - [ -0.0002118600000000, 0.0004357600000000, -0.0000409600000000 ] - [ -0.0000805600000000, -0.0000400700000000, 0.0000446800000000 ] - [ 0.0012458200000000, 0.0002524400000000, 0.0001638700000000 ] - [ 0.0002398800000000, 0.0001650300000000, -0.0001651700000000 ] - [ -0.0000500800000000, -0.0000507200000000, 0.0007265200000000 ] - [ -0.0005766800000000, -0.0001927900000000, 0.0005687600000000 ] - [ 0.0004769300000000, 0.0000268200000000, 0.0001321500000000 ] - [ -0.0003423600000000, 0.0000774000000000, -0.0000227800000000 ] - [ 0.0000788500000000, 0.0002421100000000, 0.0001223200000000 ] - [ 0.0000605100000000, 0.0008300500000000, 0.0001800200000000 ] - [ -0.0007326800000000, 0.0011036100000000, -0.0004341000000000 ] - [ 0.0001367700000000, -0.0009172300000000, -0.0018622800000000 ] - [ 0.0002983800000000, 0.0001827500000000, -0.0005426800000000 ] - [ -0.0004853400000000, -0.0000679700000000, -0.0007909200000000 ] - [ -0.0037515200000000, -0.0027443900000000, -0.0013352800000000 ] - [ -0.0025266500000000, 0.0007923400000000, 0.0012487100000000 ] - [ -0.0002054300000000, 0.0014809000000000, 0.0002713000000000 ] - [ -0.0001775900000000, -0.0001990500000000, 0.0000051400000000 ] - [ 0.0012391300000000, -0.0004103000000000, -0.0000635400000000 ] - [ 0.0002986600000000, -0.0002301800000000, -0.0003929800000000 ] - [ -0.0003667900000000, -0.0013186800000000, -0.0000710800000000 ] - [ -0.0008763200000000, 0.0009288500000000, -0.0024108600000000 ] - [ 0.0094131800000000, -0.0011505300000000, -0.0011444900000000 ] - [ -0.0015306800000000, -0.0004358500000000, -0.0000400100000000 ] - [ 0.0004978100000000, -0.0004648700000000, -0.0001980000000000 ] - [ 0.0002003800000000, -0.0005649400000000, -0.0002572700000000 ] - [ 0.0018607900000000, 0.0005766600000000, -0.0001998400000000 ] - [ -0.0006239100000000, -0.0008802900000000, -0.0005253700000000 ] - [ -0.0001092300000000, 0.0008292400000000, 0.0002726600000000 ] - [ 0.0001039800000000, 0.0004031100000000, 0.0002760900000000 ] - [ 0.0028743200000000, 0.0023660900000000, 0.0006172700000000 ] - [ -0.0012203100000000, -0.0000711800000000, -0.0004386800000000 ] - [ -0.0006445200000000, -0.0009655200000000, -0.0000220000000000 ] - [ -0.0003117700000000, 0.0013107500000000, 0.0005425600000000 ] - [ 0.0005784200000000, 0.0015691100000000, 0.0001129700000000 ] - [ -0.0006074300000000, 0.0002659700000000, -0.0003803600000000 ] - [ 0.0001159000000000, -0.0003571500000000, 0.0002410900000000 ] - [ -0.0005074000000000, -0.0001000300000000, 0.0000014100000000 ] - [ 0.0007573800000000, 0.0001906600000000, 0.0000352600000000 ] - [ -0.0000111700000000, -0.0002549900000000, -0.0000720700000000 ] - [ 0.0012858100000000, 0.0005475000000000, 0.0006604300000000 ] - [ -0.0013720400000000, -0.0004112900000000, -0.0000303800000000 ] - [ 0.0020415000000000, -0.0003541700000000, 0.0020631100000000 ] - [ -0.0013052700000000, 0.0000296300000000, 0.0002783800000000 ] - [ 0.0011641200000000, -0.0003094700000000, 0.0000332800000000 ] - [ -0.0004884200000000, 0.0004010600000000, -0.0003360900000000 ] - [ 0.0009792400000000, 0.0007811200000000, 0.0015109000000000 ] - [ -0.0017752200000000, 0.0001994300000000, -0.0010191700000000 ] - [ 0.0006383800000000, 0.0004071600000000, 0.0005194000000000 ] - [ -0.0001636400000000, 0.0000230900000000, 0.0003563400000000 ]- atom: 29 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0075214000000000, 0.0047815800000000, -0.0038313000000000 ] - [ -0.0023976600000000, -0.0002881700000000, -0.0007541200000000 ] - [ -0.0004606900000000, -0.0009495000000000, -0.0000475000000000 ] - [ -0.0000124300000000, 0.0018799700000000, -0.0002811100000000 ] - [ 0.0046406300000000, 0.0080643300000000, 0.0061923800000000 ] - [ -0.0024844200000000, 0.0001063000000000, -0.0008315000000000 ] - [ -0.0092155700000000, 0.0005682800000000, 0.0036331700000000 ] - [ -0.0142922800000000, -0.0033339200000000, -0.0048265200000000 ] - [ 0.0001691600000000, -0.0000186000000000, 0.0005352800000000 ] - [ -0.0011688900000000, 0.0000243700000000, 0.0001868400000000 ] - [ -0.0025086800000000, -0.0007126900000000, -0.0089716800000000 ] - [ -0.0014924600000000, -0.0000235900000000, -0.0001949100000000 ] - [ 0.0000436200000000, 0.0021885100000000, 0.0002642100000000 ] - [ -0.0005782900000000, -0.0004752800000000, -0.0001412900000000 ] - [ 0.0007906100000000, 0.0003207000000000, -0.0001954100000000 ] - [ -0.0003934300000000, 0.0003101900000000, -0.0005104400000000 ] - [ 0.0013310500000000, -0.0054835400000000, 0.0044525600000000 ] - [ -0.0026907300000000, 0.0017231200000000, -0.0006580700000000 ] - [ 0.0055072300000000, -0.0020173600000000, -0.0020498400000000 ] - [ -0.0024907400000000, 0.0012257600000000, -0.0007524000000000 ] - [ 0.0001631500000000, 0.0013352800000000, 0.0001149100000000 ] - [ -0.0000525100000000, -0.0005846900000000, 0.0002489800000000 ] - [ 0.0000437400000000, -0.0005364300000000, -0.0000445200000000 ] - [ -0.0000894500000000, 0.0014224900000000, 0.0002740700000000 ] - [ 0.0039423800000000, -0.0000904900000000, 0.0047918700000000 ] - [ -0.0029201200000000, 0.0002062400000000, -0.0009464200000000 ] - [ 0.0013981900000000, -0.0017816800000000, 0.0007438800000000 ] - [ -0.0013011500000000, 0.0010030300000000, -0.0007322300000000 ] - [ 0.1255276000000000, -0.0224546700000000, 0.0073797500000000 ] - [ -0.0034562400000000, -0.0006091900000000, -0.0005433700000000 ] - [ 0.0007632200000000, -0.0006467600000000, -0.0000133000000000 ] - [ -0.0000226700000000, -0.0007287400000000, -0.0002518100000000 ] - [ 0.0013926100000000, 0.0012278100000000, 0.0009060600000000 ] - [ -0.0009626500000000, -0.0020200000000000, -0.0006084100000000 ] - [ 0.0007946100000000, -0.0002701400000000, 0.0008696300000000 ] - [ -0.0018552800000000, -0.0000818800000000, 0.0002947800000000 ] - [ 0.0008346900000000, -0.0003903300000000, 0.0003864700000000 ] - [ -0.0014597800000000, -0.0003397300000000, -0.0005310300000000 ] - [ -0.0018971200000000, -0.0074024300000000, -0.0014303000000000 ] - [ -0.0019658500000000, 0.0012781000000000, -0.0001755800000000 ] - [ -0.0017428300000000, 0.0100676400000000, -0.0027606900000000 ] - [ -0.0013999400000000, -0.0015091300000000, -0.0006690200000000 ] - [ 0.0005479400000000, 0.0000526200000000, 0.0001930300000000 ] - [ -0.0002590600000000, 0.0000488800000000, 0.0000000700000000 ] - [ 0.0014583200000000, -0.0001317700000000, 0.0002935000000000 ] - [ -0.0013365100000000, -0.0002978400000000, -0.0001081100000000 ] - [ 0.0005271100000000, -0.0004530100000000, 0.0000932300000000 ] - [ -0.0016250400000000, -0.0007039900000000, -0.0006406600000000 ] - [ -0.0001632800000000, 0.0006312800000000, -0.0000406100000000 ] - [ -0.0005241300000000, -0.0007867600000000, 0.0001758800000000 ] - [ -0.0011062400000000, -0.0001140800000000, -0.0018903900000000 ] - [ 0.0015361500000000, 0.0001329100000000, 0.0012905300000000 ] - [ -0.0285083400000000, 0.0103403300000000, -0.0020951300000000 ] - [ 0.0021681400000000, 0.0008508600000000, 0.0003121300000000 ] - [ 0.0004439200000000, -0.0019727000000000, 0.0006232100000000 ] - [ 0.0004310600000000, 0.0003170200000000, 0.0003314500000000 ] - [ -0.0005383700000000, -0.0001063700000000, -0.0001665500000000 ] - [ 0.0000894300000000, -0.0002639900000000, -0.0000839800000000 ] - [ -0.0106271400000000, 0.0005705900000000, 0.0003324000000000 ] - [ 0.0016930700000000, -0.0002695900000000, -0.0002599100000000 ] - [ 0.0013234700000000, -0.0028716300000000, -0.0014652000000000 ] - [ 0.0011324300000000, 0.0011981100000000, 0.0004212900000000 ] - [ 0.0003964600000000, 0.0017456800000000, -0.0007306100000000 ] - [ 0.0006868100000000, -0.0006431000000000, 0.0004720900000000 ] - [ -0.0018345600000000, -0.0009472600000000, -0.0019749600000000 ] - [ 0.0007129200000000, -0.0005691200000000, 0.0001689400000000 ] - [ 0.0002102400000000, 0.0009873300000000, -0.0003108400000000 ] - [ 0.0010981800000000, -0.0002885000000000, 0.0003460600000000 ] - [ -0.0002328300000000, -0.0000366400000000, -0.0002779100000000 ] - [ 0.0005357100000000, -0.0000074100000000, -0.0000013400000000 ] - [ -0.0006959600000000, -0.0000461800000000, 0.0001142700000000 ] - [ -0.0000472300000000, 0.0003207200000000, 0.0003560800000000 ] - [ -0.0004047400000000, 0.0015620400000000, 0.0001994500000000 ] - [ 0.0008010100000000, -0.0001865200000000, 0.0002708800000000 ] - [ -0.0131555000000000, -0.0041111700000000, -0.0006765100000000 ] - [ 0.0013061600000000, 0.0001445300000000, -0.0000499900000000 ] - [ -0.0004539900000000, 0.0004696900000000, -0.0004428300000000 ] - [ 0.0009857000000000, -0.0004619300000000, -0.0000465300000000 ] - [ -0.0005139000000000, -0.0006700200000000, -0.0001089300000000 ] - [ 0.0004773500000000, -0.0002709900000000, 0.0001171800000000 ] - [ 0.0030603200000000, -0.0017515000000000, 0.0015031100000000 ] - [ 0.0015095600000000, 0.0013659700000000, -0.0011391800000000 ] - [ -0.0017341200000000, -0.0024254100000000, 0.0026384000000000 ] - [ 0.0002683600000000, 0.0002267600000000, 0.0004437400000000 ] - [ -0.0418743600000000, 0.0210561700000000, -0.0021743100000000 ] - [ 0.0020346100000000, 0.0002094500000000, -0.0000085800000000 ] - [ 0.0003212000000000, -0.0003429000000000, 0.0003017500000000 ] - [ 0.0005633400000000, -0.0009372100000000, 0.0004344700000000 ] - [ -0.0189166400000000, -0.0096615700000000, -0.0015049400000000 ] - [ 0.0016398400000000, 0.0002702000000000, 0.0001237000000000 ] - [ -0.0007834100000000, 0.0015179800000000, -0.0002031500000000 ] - [ 0.0005895700000000, -0.0002071000000000, -0.0001896100000000 ] - [ -0.0013962900000000, 0.0015766700000000, 0.0015736100000000 ] - [ 0.0002318200000000, -0.0004493700000000, 0.0002038600000000 ] - [ -0.0000202000000000, -0.0000604200000000, 0.0000627300000000 ] - [ -0.0001535100000000, 0.0004155400000000, -0.0000235800000000 ] - [ 0.0000842700000000, 0.0000966100000000, -0.0002768600000000 ] - [ 0.0010890800000000, 0.0001863200000000, 0.0000521800000000 ] - [ -0.0005756800000000, -0.0002052900000000, 0.0005526200000000 ] - [ -0.0000509100000000, -0.0000632700000000, 0.0007099900000000 ] - [ -0.0004084400000000, 0.0001261500000000, -0.0000235800000000 ] - [ 0.0004090700000000, 0.0000738000000000, 0.0001308700000000 ] - [ 0.0001337600000000, 0.0008465600000000, 0.0001927500000000 ] - [ 0.0001496400000000, 0.0002593400000000, 0.0001348600000000 ] - [ 0.0015190700000000, -0.0007502400000000, -0.0000346300000000 ] - [ 0.0006388500000000, 0.0012719500000000, 0.0013953100000000 ] - [ -0.0004992400000000, -0.0001158600000000, -0.0008084500000000 ] - [ 0.0002817700000000, 0.0001359400000000, -0.0005607000000000 ] - [ 0.0041038100000000, 0.0022847300000000, 0.0015650500000000 ] - [ 0.0029222100000000, -0.0012367600000000, -0.0010060300000000 ] - [ 0.0002427200000000, -0.0003816000000000, 0.0001497400000000 ] - [ 0.0002099300000000, 0.0012989700000000, 0.0004152100000000 ] - [ 0.0001629800000000, -0.0001836000000000, -0.0004992900000000 ] - [ 0.0011017300000000, -0.0003661400000000, -0.0001695700000000 ] - [ 0.0007630500000000, 0.0009142300000000, -0.0001528600000000 ] - [ 0.0012662200000000, -0.0013375700000000, 0.0021899400000000 ] - [ -0.0101516700000000, 0.0001120500000000, 0.0018145000000000 ] - [ 0.0008243600000000, -0.0006025100000000, 0.0004794200000000 ] - [ 0.0002086700000000, -0.0005726500000000, -0.0002394600000000 ] - [ 0.0005044900000000, -0.0004727500000000, -0.0001808300000000 ] - [ -0.0018358900000000, -0.0017931400000000, -0.0005501000000000 ] - [ 0.0006554100000000, -0.0003441700000000, -0.0002244100000000 ] - [ 0.0001499200000000, 0.0003952000000000, 0.0002861200000000 ] - [ -0.0000650600000000, 0.0008212400000000, 0.0002823100000000 ] - [ -0.0031318300000000, -0.0019451800000000, -0.0008839100000000 ] - [ 0.0009579300000000, 0.0004957300000000, 0.0001712600000000 ] - [ 0.0008071000000000, 0.0012674400000000, 0.0005446200000000 ] - [ 0.0004660700000000, -0.0010028300000000, -0.0000209800000000 ] - [ -0.0006147300000000, -0.0004664900000000, -0.0005338100000000 ] - [ 0.0005708000000000, 0.0008297700000000, -0.0000391600000000 ] - [ -0.0005111900000000, -0.0000428800000000, -0.0000124300000000 ] - [ 0.0001126200000000, -0.0002993200000000, 0.0002271900000000 ] - [ 0.0000138300000000, -0.0003314700000000, -0.0000566400000000 ] - [ 0.0007835500000000, 0.0001120700000000, 0.0000511800000000 ] - [ -0.0019790000000000, -0.0007594600000000, -0.0001861200000000 ] - [ 0.0006752600000000, 0.0002027400000000, 0.0005043500000000 ] - [ -0.0018308300000000, 0.0004331800000000, -0.0007032400000000 ] - [ 0.0015062800000000, 0.0000355100000000, 0.0010744700000000 ] - [ -0.0009565200000000, 0.0006053300000000, -0.0003698200000000 ] - [ 0.0006950800000000, -0.0001026600000000, -0.0000009500000000 ] - [ -0.0010338300000000, 0.0004437600000000, -0.0020865300000000 ] - [ 0.0017316000000000, 0.0010240000000000, 0.0004580700000000 ] - [ -0.0001612500000000, -0.0001161100000000, 0.0003857000000000 ] - [ 0.0006380500000000, 0.0002693200000000, 0.0005478800000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0050774200000000, 0.0059396700000000, -0.0146058800000000 ] - [ 0.0002830800000000, -0.0008303900000000, -0.0000706700000000 ] - [ 0.0016631600000000, 0.0022707600000000, -0.0000630200000000 ] - [ -0.0015018300000000, 0.0025576900000000, -0.0005573400000000 ] - [ -0.0074697600000000, 0.0083743500000000, 0.0100304700000000 ] - [ 0.0006214700000000, -0.0001638400000000, 0.0000420400000000 ] - [ -0.0029685100000000, -0.0049503300000000, 0.0010486600000000 ] - [ 0.0022725600000000, -0.0093659400000000, 0.0007460100000000 ] - [ -0.0005844200000000, 0.0029354300000000, 0.0003237200000000 ] - [ -0.0005149100000000, 0.0014068800000000, 0.0003563000000000 ] - [ 0.0003531000000000, -0.0069313500000000, -0.0014604900000000 ] - [ 0.0003191800000000, -0.0038556200000000, -0.0003961600000000 ] - [ -0.0009058000000000, 0.0026940200000000, 0.0000731100000000 ] - [ 0.0011832300000000, 0.0027321000000000, 0.0004062100000000 ] - [ -0.0000443100000000, 0.0031513500000000, -0.0004085300000000 ] - [ 0.0002390100000000, 0.0017387700000000, -0.0003529200000000 ] - [ 0.0047287300000000, 0.0066525600000000, -0.0056547100000000 ] - [ -0.0010582300000000, 0.0003537300000000, -0.0001636500000000 ] - [ 0.0006543100000000, 0.0063671600000000, 0.0087608900000000 ] - [ -0.0006314000000000, 0.0001281000000000, -0.0003217500000000 ] - [ -0.0003863300000000, 0.0020815400000000, -0.0000476100000000 ] - [ 0.0010643700000000, 0.0024016100000000, 0.0004744400000000 ] - [ 0.0014791600000000, 0.0023730300000000, 0.0010485300000000 ] - [ -0.0008096500000000, 0.0021363700000000, -0.0000191000000000 ] - [ -0.0002339900000000, -0.0060347700000000, 0.0005807700000000 ] - [ -0.0001287200000000, -0.0014589900000000, -0.0000594400000000 ] - [ 0.0023385400000000, -0.0009062800000000, 0.0005116800000000 ] - [ -0.0008271300000000, -0.0008408000000000, -0.0004747200000000 ] - [ 0.0220920700000000, -0.1241356100000000, -0.0011556800000000 ] - [ -0.0004725700000000, -0.0022128000000000, 0.0000715300000000 ] - [ 0.0004384900000000, 0.0013743000000000, -0.0001384800000000 ] - [ 0.0003546700000000, 0.0007887400000000, -0.0001456400000000 ] - [ -0.0005925600000000, -0.0012743100000000, -0.0003235200000000 ] - [ 0.0020185900000000, -0.0011379900000000, 0.0009706300000000 ] - [ -0.0008378800000000, 0.0038613300000000, 0.0005483600000000 ] - [ -0.0009467500000000, 0.0006190000000000, 0.0004977300000000 ] - [ -0.0007410800000000, 0.0019679000000000, -0.0004202800000000 ] - [ -0.0004001200000000, 0.0003707000000000, -0.0001903300000000 ] - [ 0.0107792300000000, 0.0041895200000000, 0.0035044500000000 ] - [ -0.0011967900000000, -0.0009336800000000, -0.0001471500000000 ] - [ -0.0059948700000000, 0.0051911700000000, -0.0027272900000000 ] - [ 0.0023541300000000, -0.0005495300000000, -0.0003861600000000 ] - [ 0.0002146400000000, 0.0019340100000000, 0.0001248100000000 ] - [ 0.0001539100000000, 0.0015511300000000, 0.0000942800000000 ] - [ -0.0003124600000000, 0.0034729600000000, 0.0000394300000000 ] - [ -0.0002603900000000, 0.0004290200000000, 0.0001279800000000 ] - [ -0.0005342300000000, 0.0017347700000000, -0.0002986900000000 ] - [ -0.0007883100000000, 0.0000169900000000, -0.0003742700000000 ] - [ -0.0014102200000000, -0.0000591200000000, -0.0002600100000000 ] - [ 0.0008776500000000, -0.0008055200000000, 0.0005745100000000 ] - [ -0.0000705200000000, 0.0021587100000000, -0.0006609100000000 ] - [ -0.0004949800000000, 0.0009565900000000, -0.0000114700000000 ] - [ -0.0109902200000000, 0.0188428400000000, -0.0006084300000000 ] - [ 0.0001427700000000, 0.0012385200000000, 0.0002034000000000 ] - [ 0.0009644600000000, -0.0015285800000000, 0.0006954100000000 ] - [ -0.0011532800000000, -0.0013124600000000, 0.0002406900000000 ] - [ -0.0003603300000000, -0.0018363900000000, -0.0001000800000000 ] - [ -0.0002372000000000, -0.0008748700000000, -0.0001031800000000 ] - [ -0.0004724200000000, 0.0106988800000000, 0.0017940700000000 ] - [ 0.0003069300000000, 0.0005763900000000, -0.0006242600000000 ] - [ 0.0017815600000000, -0.0007413900000000, -0.0008454100000000 ] - [ -0.0011704500000000, 0.0000503700000000, -0.0003484300000000 ] - [ -0.0028653600000000, -0.0011372500000000, 0.0014067300000000 ] - [ 0.0005961900000000, 0.0002406200000000, 0.0003459200000000 ] - [ -0.0003297200000000, 0.0018046600000000, 0.0002640700000000 ] - [ -0.0002064100000000, -0.0000324800000000, -0.0001727100000000 ] - [ -0.0000391500000000, -0.0017450500000000, -0.0000626100000000 ] - [ 0.0007664400000000, -0.0002156200000000, 0.0002026400000000 ] - [ 0.0000192500000000, -0.0011808800000000, -0.0001976600000000 ] - [ 0.0001440700000000, -0.0005885800000000, -0.0001395600000000 ] - [ -0.0002775900000000, -0.0010255300000000, 0.0002113500000000 ] - [ -0.0007215900000000, -0.0004577100000000, 0.0001131000000000 ] - [ -0.0009549100000000, -0.0024535000000000, -0.0006394500000000 ] - [ 0.0006239600000000, -0.0000569300000000, 0.0002264700000000 ] - [ 0.0058354700000000, 0.0233528000000000, -0.0012705200000000 ] - [ 0.0000750700000000, 0.0007103700000000, -0.0003780200000000 ] - [ -0.0000655100000000, -0.0009916700000000, -0.0003978800000000 ] - [ 0.0007752000000000, -0.0003405400000000, -0.0000873700000000 ] - [ 0.0002774000000000, -0.0021006900000000, -0.0003016900000000 ] - [ 0.0000580600000000, -0.0007568100000000, -0.0000087700000000 ] - [ 0.0019314300000000, 0.0005205300000000, 0.0010460500000000 ] - [ -0.0029434500000000, 0.0014210200000000, 0.0006562300000000 ] - [ 0.0006503200000000, -0.0006651700000000, 0.0031026900000000 ] - [ -0.0011472300000000, 0.0000999000000000, 0.0001997900000000 ] - [ -0.0210303200000000, 0.0230596100000000, -0.0015023900000000 ] - [ -0.0004129700000000, 0.0010107600000000, -0.0001187600000000 ] - [ 0.0003631500000000, -0.0016092600000000, 0.0003770400000000 ] - [ 0.0007012100000000, -0.0016402600000000, 0.0005742000000000 ] - [ 0.0089542400000000, 0.0239265400000000, 0.0008853800000000 ] - [ 0.0002908500000000, 0.0011414900000000, -0.0001622900000000 ] - [ -0.0010417900000000, -0.0021911600000000, -0.0005589900000000 ] - [ 0.0002418300000000, -0.0001076100000000, -0.0002381400000000 ] - [ -0.0025193100000000, 0.0004799100000000, -0.0030482000000000 ] - [ -0.0002375700000000, 0.0006611600000000, 0.0002040800000000 ] - [ 0.0001132700000000, -0.0007153800000000, 0.0001303500000000 ] - [ -0.0000910800000000, -0.0008717200000000, 0.0000910700000000 ] - [ 0.0007674300000000, -0.0013780800000000, -0.0003541700000000 ] - [ 0.0005836700000000, -0.0002759700000000, -0.0000777400000000 ] - [ -0.0003664700000000, -0.0010871200000000, 0.0006199100000000 ] - [ -0.0003864700000000, -0.0008157600000000, 0.0006187700000000 ] - [ -0.0001532900000000, -0.0012999600000000, 0.0000101600000000 ] - [ -0.0000002000000000, -0.0004964000000000, 0.0000447600000000 ] - [ -0.0001110600000000, -0.0004941600000000, 0.0000651600000000 ] - [ 0.0003505100000000, -0.0004960700000000, 0.0000985400000000 ] - [ 0.0009409000000000, 0.0010019500000000, -0.0001438600000000 ] - [ -0.0014601300000000, 0.0016331600000000, -0.0020073600000000 ] - [ 0.0002575800000000, -0.0010195900000000, -0.0005665400000000 ] - [ -0.0002497700000000, -0.0005674500000000, -0.0007162400000000 ] - [ -0.0027307600000000, 0.0038743600000000, -0.0004331600000000 ] - [ 0.0015595200000000, 0.0014336100000000, 0.0000238200000000 ] - [ 0.0006193700000000, -0.0001173600000000, 0.0003402100000000 ] - [ -0.0007126200000000, -0.0000410100000000, -0.0001431400000000 ] - [ 0.0006276100000000, -0.0017424200000000, 0.0000123600000000 ] - [ 0.0008035300000000, -0.0007033900000000, -0.0002459700000000 ] - [ -0.0004791900000000, 0.0015970100000000, -0.0004392300000000 ] - [ 0.0018433000000000, 0.0015237700000000, 0.0009500600000000 ] - [ -0.0009274500000000, 0.0110202300000000, 0.0006132000000000 ] - [ -0.0003822900000000, 0.0002895000000000, 0.0001763600000000 ] - [ 0.0002870900000000, -0.0015301700000000, -0.0002348100000000 ] - [ 0.0002984100000000, -0.0014301600000000, -0.0002353800000000 ] - [ 0.0016271800000000, -0.0040084100000000, 0.0000834500000000 ] - [ -0.0002849400000000, -0.0005741600000000, -0.0004186800000000 ] - [ 0.0002156200000000, -0.0001936200000000, 0.0002811200000000 ] - [ 0.0000220500000000, -0.0003634700000000, 0.0002317900000000 ] - [ 0.0008600800000000, -0.0036609000000000, -0.0001940200000000 ] - [ -0.0003675300000000, 0.0001455700000000, -0.0001870000000000 ] - [ -0.0012023500000000, -0.0001539500000000, -0.0001118600000000 ] - [ 0.0018224200000000, -0.0006306500000000, 0.0003893900000000 ] - [ 0.0001610900000000, -0.0012770700000000, -0.0002264000000000 ] - [ -0.0002381500000000, 0.0005790600000000, -0.0003083900000000 ] - [ -0.0002817300000000, -0.0015937700000000, 0.0000508800000000 ] - [ -0.0001094300000000, -0.0008439600000000, 0.0001140000000000 ] - [ 0.0004665700000000, -0.0016021200000000, 0.0000985200000000 ] - [ 0.0000382600000000, -0.0007335300000000, -0.0000485600000000 ] - [ 0.0003040700000000, -0.0008189200000000, 0.0000044600000000 ] - [ -0.0006137900000000, -0.0002069000000000, 0.0001418200000000 ] - [ -0.0004168500000000, 0.0017832000000000, 0.0011335400000000 ] - [ 0.0004001500000000, 0.0006245400000000, 0.0007635300000000 ] - [ 0.0003546000000000, -0.0014597400000000, 0.0003183600000000 ] - [ 0.0001380300000000, -0.0002001300000000, -0.0001543000000000 ] - [ 0.0007898700000000, 0.0033899500000000, -0.0006634800000000 ] - [ -0.0000768000000000, 0.0014704600000000, -0.0004154300000000 ] - [ 0.0007015400000000, -0.0012095800000000, 0.0006186500000000 ] - [ 0.0000784300000000, -0.0004643700000000, 0.0004062500000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0046297900000000, -0.0052834900000000, 0.0139799300000000 ] - [ -0.0006918700000000, 0.0014660100000000, -0.0004422600000000 ] - [ -0.0014483600000000, -0.0015218600000000, -0.0002004800000000 ] - [ 0.0017068100000000, -0.0018102400000000, 0.0002924100000000 ] - [ 0.0074615400000000, -0.0068805200000000, -0.0100895000000000 ] - [ -0.0005589100000000, 0.0016151100000000, -0.0001845300000000 ] - [ 0.0025339900000000, 0.0055395700000000, -0.0003530600000000 ] - [ -0.0026439500000000, 0.0099777600000000, -0.0000430500000000 ] - [ -0.0004658200000000, -0.0029305000000000, 0.0003774300000000 ] - [ -0.0005341200000000, -0.0014008700000000, 0.0003457900000000 ] - [ 0.0006644200000000, 0.0069360300000000, 0.0007359100000000 ] - [ 0.0007369600000000, 0.0038643300000000, -0.0003040100000000 ] - [ 0.0008483600000000, -0.0012356900000000, 0.0000686400000000 ] - [ -0.0012497100000000, -0.0012741800000000, -0.0002650000000000 ] - [ 0.0004517800000000, -0.0025606900000000, -0.0002848800000000 ] - [ 0.0001712300000000, -0.0011479000000000, -0.0003403700000000 ] - [ -0.0049804900000000, -0.0059214200000000, 0.0059430800000000 ] - [ 0.0008449700000000, 0.0004029300000000, 0.0004265500000000 ] - [ -0.0010524600000000, -0.0053677300000000, -0.0093439400000000 ] - [ 0.0002528500000000, 0.0009008400000000, -0.0001951100000000 ] - [ 0.0007975300000000, -0.0014389600000000, 0.0005623300000000 ] - [ -0.0006599900000000, -0.0017595100000000, 0.0000375500000000 ] - [ -0.0010995900000000, -0.0013501600000000, -0.0005301300000000 ] - [ 0.0011829700000000, -0.0011148300000000, 0.0005345100000000 ] - [ -0.0000683800000000, 0.0061167900000000, -0.0007661500000000 ] - [ -0.0001758400000000, 0.0015366800000000, -0.0001259500000000 ] - [ -0.0013634900000000, 0.0001857600000000, -0.0001686400000000 ] - [ 0.0018032800000000, 0.0001251400000000, 0.0008190300000000 ] - [ -0.0225746600000000, 0.1219199800000000, 0.0016976700000000 ] - [ -0.0003001000000000, 0.0008201000000000, 0.0001854500000000 ] - [ 0.0003376100000000, -0.0027676000000000, -0.0001207400000000 ] - [ 0.0004179300000000, -0.0021807500000000, -0.0001152300000000 ] - [ 0.0019989000000000, -0.0000799200000000, 0.0010501600000000 ] - [ -0.0006145100000000, -0.0002251800000000, -0.0002504600000000 ] - [ -0.0008829900000000, -0.0040153500000000, 0.0005060600000000 ] - [ -0.0007789600000000, -0.0007765300000000, 0.0005550400000000 ] - [ -0.0002347500000000, -0.0026781800000000, 0.0000800200000000 ] - [ -0.0005760600000000, -0.0010799200000000, -0.0001509200000000 ] - [ -0.0101418800000000, -0.0048471100000000, -0.0036339300000000 ] - [ 0.0017880400000000, 0.0002435500000000, 0.0000070200000000 ] - [ 0.0077732100000000, -0.0053455000000000, 0.0016721100000000 ] - [ -0.0006287700000000, 0.0003910600000000, -0.0006744900000000 ] - [ 0.0000880200000000, -0.0018513200000000, 0.0000664100000000 ] - [ 0.0001447200000000, -0.0014712600000000, 0.0000955500000000 ] - [ -0.0002913900000000, -0.0041716900000000, 0.0001074300000000 ] - [ -0.0003375100000000, -0.0011141800000000, 0.0000214800000000 ] - [ -0.0008712300000000, -0.0031025100000000, -0.0004297300000000 ] - [ -0.0006196100000000, -0.0013878800000000, -0.0003535100000000 ] - [ 0.0002899000000000, 0.0001268900000000, 0.0000950200000000 ] - [ -0.0019913900000000, 0.0008715700000000, -0.0007377500000000 ] - [ -0.0002550500000000, -0.0022012000000000, 0.0009203000000000 ] - [ 0.0001576400000000, -0.0009865300000000, 0.0002665300000000 ] - [ 0.0105740200000000, -0.0181386600000000, 0.0005111200000000 ] - [ 0.0000888500000000, -0.0008613600000000, -0.0002223000000000 ] - [ -0.0009981600000000, 0.0003033400000000, 0.0000524400000000 ] - [ 0.0011279400000000, 0.0000883100000000, 0.0005088700000000 ] - [ -0.0000327700000000, 0.0014036600000000, -0.0001492000000000 ] - [ -0.0001571100000000, 0.0004397400000000, -0.0001464000000000 ] - [ 0.0011049800000000, -0.0109883000000000, -0.0032665500000000 ] - [ 0.0003165500000000, -0.0008298200000000, -0.0006541800000000 ] - [ -0.0019106300000000, 0.0000343500000000, 0.0008452100000000 ] - [ 0.0010438300000000, -0.0007504800000000, 0.0003503300000000 ] - [ 0.0026547700000000, 0.0014295500000000, -0.0010637500000000 ] - [ -0.0007993500000000, 0.0000566000000000, -0.0000076600000000 ] - [ -0.0005328000000000, -0.0030922700000000, -0.0009917900000000 ] - [ -0.0006509600000000, -0.0012333700000000, -0.0005491400000000 ] - [ 0.0011574700000000, 0.0018119200000000, 0.0002288700000000 ] - [ 0.0003496900000000, 0.0002790400000000, -0.0000386400000000 ] - [ 0.0003161900000000, 0.0011523600000000, -0.0000593500000000 ] - [ 0.0001918000000000, 0.0005603200000000, -0.0001174100000000 ] - [ -0.0005085400000000, 0.0013799100000000, 0.0002589500000000 ] - [ -0.0000664200000000, 0.0008125600000000, 0.0003566800000000 ] - [ 0.0012159400000000, 0.0028743100000000, 0.0009091000000000 ] - [ -0.0003597100000000, 0.0004807700000000, 0.0000440100000000 ] - [ -0.0055586100000000, -0.0210676700000000, 0.0003477400000000 ] - [ -0.0005555600000000, -0.0004190200000000, -0.0005230500000000 ] - [ 0.0007601600000000, 0.0007824000000000, -0.0000795900000000 ] - [ -0.0000787000000000, 0.0001311400000000, -0.0003893800000000 ] - [ -0.0001512800000000, 0.0014032400000000, 0.0002980400000000 ] - [ 0.0000667700000000, 0.0000625800000000, 0.0000064800000000 ] - [ -0.0026916800000000, -0.0006654100000000, -0.0010169800000000 ] - [ 0.0021767900000000, -0.0015646600000000, -0.0006329900000000 ] - [ -0.0020617000000000, 0.0000680800000000, -0.0025521000000000 ] - [ -0.0002518900000000, -0.0006920600000000, 0.0003644300000000 ] - [ 0.0218945300000000, -0.0232450100000000, 0.0014582800000000 ] - [ 0.0003427000000000, -0.0008553900000000, 0.0000114900000000 ] - [ 0.0004931900000000, 0.0003460900000000, 0.0003443700000000 ] - [ 0.0001567600000000, 0.0003769700000000, 0.0001478700000000 ] - [ -0.0103131300000000, -0.0242116200000000, -0.0014066500000000 ] - [ -0.0005031400000000, -0.0000502100000000, -0.0001526400000000 ] - [ 0.0008846500000000, 0.0025003400000000, 0.0000352100000000 ] - [ -0.0004068400000000, 0.0004135100000000, -0.0002873200000000 ] - [ 0.0011851700000000, -0.0001268000000000, 0.0031464900000000 ] - [ -0.0010917600000000, -0.0003112700000000, -0.0000902500000000 ] - [ -0.0003457400000000, 0.0010902600000000, -0.0001115200000000 ] - [ -0.0001386400000000, 0.0012464600000000, -0.0000716200000000 ] - [ 0.0005600300000000, 0.0017283400000000, 0.0002427000000000 ] - [ 0.0007442400000000, 0.0006218800000000, -0.0000364800000000 ] - [ -0.0002594300000000, 0.0008334000000000, 0.0006585100000000 ] - [ -0.0002376200000000, 0.0005619300000000, 0.0006597000000000 ] - [ 0.0002209500000000, 0.0014557100000000, 0.0000976200000000 ] - [ 0.0000684400000000, 0.0006527700000000, 0.0000632000000000 ] - [ 0.0003224900000000, 0.0015878100000000, 0.0002494200000000 ] - [ -0.0001368100000000, 0.0015898800000000, 0.0002164900000000 ] - [ -0.0001514800000000, -0.0006536200000000, -0.0003268800000000 ] - [ 0.0022494500000000, -0.0012879700000000, 0.0015382000000000 ] - [ -0.0004606800000000, 0.0010846100000000, -0.0007823500000000 ] - [ 0.0000492100000000, 0.0006312200000000, -0.0006317100000000 ] - [ 0.0031175000000000, -0.0042922800000000, 0.0006794300000000 ] - [ -0.0011721200000000, -0.0018660500000000, 0.0002272900000000 ] - [ -0.0005832400000000, 0.0012118200000000, 0.0000808500000000 ] - [ 0.0007528000000000, 0.0011361400000000, 0.0005669200000000 ] - [ 0.0007703300000000, 0.0011511400000000, -0.0005756700000000 ] - [ 0.0005948800000000, 0.0001147200000000, -0.0003183500000000 ] - [ 0.0008770600000000, -0.0019926100000000, 0.0002103000000000 ] - [ -0.0014481800000000, -0.0019198700000000, -0.0011829600000000 ] - [ 0.0001984200000000, -0.0120515900000000, 0.0000714500000000 ] - [ -0.0003275000000000, -0.0013265200000000, 0.0002602300000000 ] - [ 0.0004210700000000, 0.0004933700000000, -0.0002025600000000 ] - [ 0.0004113400000000, 0.0003932200000000, -0.0002013700000000 ] - [ -0.0015909700000000, 0.0027743200000000, -0.0008300000000000 ] - [ 0.0003134500000000, -0.0006465700000000, -0.0003303900000000 ] - [ -0.0001738100000000, 0.0014172900000000, 0.0002796600000000 ] - [ 0.0000220900000000, 0.0015870800000000, 0.0003295900000000 ] - [ -0.0011337900000000, 0.0041088400000000, -0.0000755500000000 ] - [ 0.0001053800000000, 0.0002747900000000, -0.0000837600000000 ] - [ 0.0013613300000000, 0.0004633600000000, 0.0006359400000000 ] - [ -0.0016552500000000, 0.0009402400000000, 0.0001369800000000 ] - [ -0.0001994800000000, 0.0023721200000000, -0.0001975800000000 ] - [ 0.0001988600000000, 0.0005199800000000, -0.0001145600000000 ] - [ -0.0001153600000000, 0.0011927600000000, 0.0001785700000000 ] - [ -0.0002894800000000, 0.0004414400000000, 0.0001147600000000 ] - [ 0.0003046900000000, 0.0014641900000000, -0.0001209000000000 ] - [ 0.0007308600000000, 0.0005970900000000, 0.0000256700000000 ] - [ -0.0010046000000000, 0.0006045700000000, 0.0004724900000000 ] - [ -0.0000830800000000, -0.0000058000000000, 0.0003341100000000 ] - [ 0.0006196300000000, -0.0016963100000000, 0.0002203800000000 ] - [ -0.0001994000000000, -0.0005586100000000, 0.0005849300000000 ] - [ -0.0001508400000000, 0.0017563400000000, -0.0006602800000000 ] - [ 0.0000649300000000, 0.0004921800000000, -0.0001841500000000 ] - [ -0.0008442600000000, -0.0021491400000000, 0.0000984700000000 ] - [ 0.0000353100000000, -0.0002439700000000, -0.0001453600000000 ] - [ -0.0002261900000000, 0.0015009800000000, 0.0002810800000000 ] - [ 0.0004005400000000, 0.0007520100000000, 0.0004948100000000 ]- atom: 29 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ 0.0052148500000000, -0.0123761800000000, 0.0047343600000000 ] - [ -0.0000898500000000, 0.0003805000000000, -0.0000398700000000 ] - [ -0.0000559300000000, 0.0002605500000000, -0.0001207000000000 ] - [ 0.0002504800000000, 0.0003711300000000, -0.0005023300000000 ] - [ -0.0044170700000000, 0.0114988900000000, 0.0019289400000000 ] - [ 0.0001476100000000, 0.0007723500000000, -0.0001683900000000 ] - [ -0.0037573100000000, 0.0005576100000000, 0.0003540200000000 ] - [ 0.0004381300000000, -0.0000298400000000, -0.0032246600000000 ] - [ -0.0005332600000000, 0.0000211400000000, 0.0003548300000000 ] - [ -0.0005062100000000, 0.0000197100000000, 0.0003658700000000 ] - [ 0.0080366700000000, -0.0008558400000000, 0.0020412300000000 ] - [ 0.0004259500000000, -0.0000779300000000, 0.0014188400000000 ] - [ -0.0001371700000000, 0.0008688500000000, 0.0000830200000000 ] - [ 0.0000457000000000, 0.0007392100000000, -0.0000678200000000 ] - [ 0.0001709000000000, 0.0003537800000000, -0.0003587200000000 ] - [ 0.0002196300000000, 0.0003154300000000, -0.0003499300000000 ] - [ -0.0020640500000000, -0.0039727500000000, 0.0005968400000000 ] - [ -0.0000784100000000, 0.0003623600000000, 0.0000147400000000 ] - [ 0.0016329500000000, 0.0071396100000000, 0.0012818300000000 ] - [ -0.0001183200000000, 0.0004304500000000, -0.0001338500000000 ] - [ 0.0002479400000000, 0.0001941800000000, 0.0002441500000000 ] - [ 0.0002102400000000, 0.0003702300000000, 0.0004153600000000 ] - [ 0.0003103100000000, 0.0008540400000000, 0.0002372100000000 ] - [ 0.0001359600000000, 0.0004589800000000, 0.0006169600000000 ] - [ -0.0091778000000000, -0.0006359100000000, 0.0231503300000000 ] - [ 0.0001723100000000, -0.0000407400000000, 0.0000014700000000 ] - [ -0.0001358900000000, -0.0000508900000000, 0.0020097500000000 ] - [ 0.0010245500000000, -0.0005542500000000, 0.0002760600000000 ] - [ 0.0249353600000000, -0.0080781500000000, -0.1177559200000000 ] - [ -0.0005253900000000, -0.0007295700000000, 0.0001465700000000 ] - [ 0.0003708000000000, -0.0006746300000000, -0.0001571600000000 ] - [ 0.0003993400000000, -0.0006896400000000, -0.0001199300000000 ] - [ 0.0001687400000000, -0.0007724200000000, 0.0020542100000000 ] - [ 0.0013285500000000, -0.0003955700000000, 0.0003871900000000 ] - [ -0.0008349700000000, -0.0002121300000000, 0.0002717000000000 ] - [ -0.0008561800000000, -0.0000389000000000, 0.0005273800000000 ] - [ -0.0005998000000000, -0.0002672000000000, 0.0000680000000000 ] - [ -0.0004326700000000, -0.0003556000000000, -0.0001540900000000 ] - [ 0.0000956400000000, -0.0005073200000000, -0.0025136300000000 ] - [ -0.0000412700000000, -0.0001796700000000, -0.0000905200000000 ] - [ 0.0010856700000000, 0.0007796000000000, -0.0028161400000000 ] - [ 0.0004912800000000, -0.0003103800000000, -0.0006155100000000 ] - [ 0.0001237500000000, 0.0000698600000000, 0.0001196300000000 ] - [ 0.0001824000000000, 0.0000400800000000, 0.0001073800000000 ] - [ -0.0002097000000000, -0.0002129000000000, -0.0001675100000000 ] - [ -0.0003081300000000, -0.0003536400000000, 0.0000809900000000 ] - [ -0.0008902300000000, -0.0006855100000000, -0.0001361200000000 ] - [ -0.0006147200000000, -0.0006676800000000, -0.0003483600000000 ] - [ -0.0005658700000000, -0.0000780100000000, -0.0003220300000000 ] - [ -0.0013507900000000, 0.0007139300000000, -0.0003084400000000 ] - [ 0.0017663700000000, 0.0000479700000000, -0.0043716800000000 ] - [ -0.0004309500000000, 0.0000329700000000, 0.0001792300000000 ] - [ -0.0046673700000000, 0.0017608900000000, 0.0098616500000000 ] - [ 0.0002639800000000, 0.0003257100000000, 0.0000296100000000 ] - [ -0.0000572200000000, -0.0006100000000000, 0.0005830500000000 ] - [ 0.0001558300000000, -0.0003961400000000, 0.0004012000000000 ] - [ -0.0002043800000000, -0.0002308200000000, -0.0000790800000000 ] - [ -0.0001971900000000, -0.0002246300000000, -0.0001202400000000 ] - [ -0.0028545900000000, 0.0017670300000000, 0.0344626600000000 ] - [ 0.0002582100000000, -0.0001089100000000, -0.0006542300000000 ] - [ 0.0004209600000000, -0.0006995600000000, -0.0001079700000000 ] - [ -0.0001247800000000, -0.0002905400000000, 0.0003235000000000 ] - [ 0.0003133100000000, 0.0006259200000000, 0.0000956200000000 ] - [ -0.0001719800000000, 0.0001257200000000, 0.0004030600000000 ] - [ 0.0014437200000000, -0.0005885400000000, -0.0055136400000000 ] - [ -0.0005229500000000, -0.0005698600000000, -0.0003506000000000 ] - [ 0.0006596400000000, -0.0000814000000000, -0.0004630300000000 ] - [ 0.0005207000000000, 0.0000578700000000, 0.0000875800000000 ] - [ 0.0001914700000000, -0.0000414000000000, -0.0001532300000000 ] - [ 0.0001418900000000, -0.0000214200000000, -0.0001325700000000 ] - [ -0.0003674100000000, 0.0001910600000000, 0.0001963500000000 ] - [ -0.0004265000000000, 0.0001426900000000, 0.0002279300000000 ] - [ 0.0002026300000000, 0.0003058300000000, 0.0004668700000000 ] - [ 0.0001914500000000, 0.0001638100000000, 0.0001297800000000 ] - [ -0.0030783500000000, -0.0010643800000000, 0.0090991500000000 ] - [ -0.0001717800000000, 0.0001298300000000, -0.0004487100000000 ] - [ 0.0004972700000000, -0.0002863600000000, -0.0004898900000000 ] - [ 0.0002208700000000, -0.0000603300000000, -0.0002839500000000 ] - [ 0.0000622400000000, -0.0005983100000000, 0.0000285800000000 ] - [ 0.0000474900000000, -0.0003660300000000, -0.0000071000000000 ] - [ -0.0001209500000000, 0.0000147700000000, 0.0009302900000000 ] - [ 0.0005411800000000, 0.0003624300000000, 0.0000000400000000 ] - [ -0.0019308500000000, 0.0009909000000000, 0.0001189700000000 ] - [ -0.0006846600000000, -0.0003083100000000, 0.0000060700000000 ] - [ -0.0088681700000000, 0.0043092600000000, 0.0074008400000000 ] - [ 0.0001041100000000, 0.0000858100000000, -0.0000067400000000 ] - [ 0.0004400400000000, -0.0006703700000000, 0.0003213400000000 ] - [ 0.0004061600000000, -0.0005963900000000, 0.0003629700000000 ] - [ -0.0031957700000000, -0.0001373600000000, 0.0092893100000000 ] - [ 0.0000504600000000, 0.0004962600000000, -0.0001317600000000 ] - [ -0.0002784700000000, 0.0001458000000000, 0.0001670900000000 ] - [ -0.0000448200000000, 0.0001466000000000, -0.0002643600000000 ] - [ -0.0017785600000000, -0.0015897400000000, -0.0000787500000000 ] - [ -0.0006495700000000, 0.0001925900000000, -0.0002102400000000 ] - [ -0.0001132400000000, 0.0001794400000000, 0.0000323900000000 ] - [ -0.0001121000000000, 0.0001856300000000, 0.0000147400000000 ] - [ 0.0006931200000000, 0.0000505500000000, -0.0000570000000000 ] - [ 0.0006514100000000, 0.0001772000000000, -0.0000526000000000 ] - [ -0.0002942400000000, -0.0001416900000000, 0.0006430100000000 ] - [ -0.0003293300000000, -0.0001314300000000, 0.0006505300000000 ] - [ 0.0000318900000000, 0.0000658600000000, 0.0000917500000000 ] - [ 0.0000240900000000, 0.0000637600000000, 0.0000536900000000 ] - [ 0.0001050000000000, 0.0005256400000000, 0.0001943500000000 ] - [ 0.0001132000000000, 0.0005344600000000, 0.0001664500000000 ] - [ 0.0004762800000000, 0.0003684200000000, -0.0009087300000000 ] - [ -0.0010356400000000, -0.0006213200000000, -0.0006584400000000 ] - [ -0.0000652700000000, 0.0000231500000000, -0.0007112600000000 ] - [ -0.0001300300000000, 0.0000127900000000, -0.0006778100000000 ] - [ 0.0001565100000000, -0.0001022700000000, 0.0019241600000000 ] - [ 0.0006795800000000, -0.0002713000000000, 0.0001264300000000 ] - [ 0.0000504200000000, 0.0006491400000000, -0.0000057100000000 ] - [ -0.0001464700000000, 0.0003033800000000, 0.0001871100000000 ] - [ 0.0007344800000000, -0.0002057200000000, -0.0002974200000000 ] - [ 0.0006793200000000, -0.0003093400000000, -0.0002750600000000 ] - [ 0.0003859700000000, -0.0002269300000000, -0.0010409200000000 ] - [ -0.0009288700000000, 0.0000572800000000, -0.0000888600000000 ] - [ -0.0041253400000000, 0.0010411100000000, 0.0343772900000000 ] - [ -0.0003902100000000, -0.0004951600000000, 0.0001711600000000 ] - [ 0.0003596000000000, -0.0005311700000000, -0.0002093800000000 ] - [ 0.0003465200000000, -0.0005236900000000, -0.0002315400000000 ] - [ -0.0004142100000000, -0.0003992000000000, 0.0007278300000000 ] - [ 0.0000262700000000, -0.0006383800000000, -0.0003843000000000 ] - [ 0.0000296600000000, 0.0006062500000000, 0.0002664700000000 ] - [ 0.0000076600000000, 0.0005964800000000, 0.0002829300000000 ] - [ -0.0003235200000000, -0.0002690900000000, 0.0006145900000000 ] - [ -0.0001047200000000, 0.0002302600000000, -0.0001321100000000 ] - [ 0.0000047200000000, 0.0001144700000000, 0.0004758800000000 ] - [ 0.0007324300000000, -0.0002741500000000, 0.0003658400000000 ] - [ 0.0005024900000000, 0.0007872100000000, -0.0015504300000000 ] - [ -0.0000880200000000, 0.0005017800000000, -0.0002137000000000 ] - [ -0.0001794800000000, -0.0002244300000000, 0.0000819100000000 ] - [ -0.0002122000000000, -0.0001982900000000, 0.0001148600000000 ] - [ 0.0003811800000000, -0.0000491200000000, 0.0000390600000000 ] - [ 0.0003993900000000, -0.0000713800000000, -0.0000089800000000 ] - [ -0.0000312000000000, -0.0002983100000000, -0.0002620200000000 ] - [ -0.0004283400000000, -0.0001126300000000, 0.0002474400000000 ] - [ 0.0022606600000000, 0.0003739300000000, -0.0042888600000000 ] - [ -0.0001043600000000, 0.0000229200000000, 0.0006306600000000 ] - [ 0.0000555300000000, 0.0003820700000000, -0.0001736900000000 ] - [ 0.0000934300000000, 0.0001491700000000, -0.0001713000000000 ] - [ 0.0020406900000000, 0.0008002200000000, -0.0054461500000000 ] - [ -0.0005883400000000, 0.0003606700000000, -0.0003169400000000 ] - [ 0.0002512200000000, 0.0001187200000000, 0.0005108100000000 ] - [ 0.0002350000000000, 0.0001628600000000, 0.0004496800000000 ]- atom: 29 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0056695000000000, 0.0130947100000000, -0.0052195600000000 ] - [ -0.0003158900000000, 0.0002594300000000, -0.0004672100000000 ] - [ 0.0002648100000000, 0.0004876100000000, -0.0001369600000000 ] - [ -0.0000394700000000, 0.0003759600000000, 0.0002436600000000 ] - [ 0.0044652600000000, -0.0099775900000000, -0.0021080200000000 ] - [ -0.0000873100000000, 0.0006830400000000, 0.0000287500000000 ] - [ 0.0033496100000000, 0.0000281800000000, 0.0003724100000000 ] - [ -0.0008076100000000, 0.0006255700000000, 0.0039362400000000 ] - [ -0.0005154100000000, -0.0000161000000000, 0.0003527800000000 ] - [ -0.0005421600000000, -0.0000149500000000, 0.0003409400000000 ] - [ -0.0069485300000000, 0.0008615700000000, -0.0027593500000000 ] - [ 0.0006064000000000, 0.0000817600000000, -0.0021221700000000 ] - [ 0.0000734000000000, 0.0005869500000000, 0.0000656700000000 ] - [ -0.0001080700000000, 0.0007179800000000, 0.0002151100000000 ] - [ 0.0002382800000000, 0.0002356600000000, -0.0003317400000000 ] - [ 0.0001894600000000, 0.0002736700000000, -0.0003395600000000 ] - [ 0.0018509300000000, 0.0047020100000000, -0.0003660300000000 ] - [ -0.0001344900000000, 0.0003880100000000, 0.0002526300000000 ] - [ -0.0020312700000000, -0.0061496800000000, -0.0017613300000000 ] - [ -0.0002566900000000, 0.0005927400000000, -0.0003773200000000 ] - [ 0.0001593100000000, 0.0004449400000000, 0.0002714800000000 ] - [ 0.0001956900000000, 0.0002686100000000, 0.0001011500000000 ] - [ 0.0000663500000000, 0.0001701300000000, 0.0002807300000000 ] - [ 0.0002383600000000, 0.0005664800000000, -0.0000973800000000 ] - [ 0.0088721100000000, 0.0007184700000000, -0.0233287700000000 ] - [ -0.0004751900000000, 0.0001160700000000, -0.0001842100000000 ] - [ 0.0011280800000000, -0.0006448800000000, -0.0016607000000000 ] - [ -0.0000466000000000, -0.0001541400000000, 0.0000698100000000 ] - [ -0.0256513100000000, 0.0061471700000000, 0.1175764000000000 ] - [ -0.0002467800000000, -0.0006634600000000, 0.0001145600000000 ] - [ 0.0004027100000000, -0.0007181900000000, -0.0000984900000000 ] - [ 0.0003745700000000, -0.0007027900000000, -0.0001363500000000 ] - [ 0.0012464000000000, -0.0006139700000000, -0.0013262200000000 ] - [ 0.0000735800000000, -0.0009758800000000, 0.0003377700000000 ] - [ -0.0008878000000000, 0.0000503800000000, 0.0007847800000000 ] - [ -0.0008682200000000, -0.0001175800000000, 0.0005288800000000 ] - [ -0.0003798600000000, -0.0004465500000000, -0.0004005200000000 ] - [ -0.0005459600000000, -0.0003543300000000, -0.0001774900000000 ] - [ 0.0004707200000000, -0.0001956700000000, 0.0023649600000000 ] - [ 0.0006330000000000, -0.0005043200000000, -0.0000482100000000 ] - [ 0.0006229200000000, -0.0009164500000000, 0.0017465700000000 ] - [ 0.0012341000000000, 0.0001457300000000, -0.0004427200000000 ] - [ 0.0001759400000000, 0.0000084700000000, 0.0000775600000000 ] - [ 0.0001169300000000, 0.0000387600000000, 0.0000897900000000 ] - [ -0.0003855400000000, -0.0004703100000000, 0.0003207400000000 ] - [ -0.0002877500000000, -0.0003338100000000, 0.0000734900000000 ] - [ -0.0005156800000000, -0.0006807600000000, -0.0005856500000000 ] - [ -0.0007920300000000, -0.0007028300000000, -0.0003734600000000 ] - [ -0.0005545600000000, 0.0001426000000000, 0.0001622300000000 ] - [ 0.0002359200000000, -0.0006509700000000, 0.0001486600000000 ] - [ -0.0021264000000000, -0.0000698000000000, 0.0046356900000000 ] - [ 0.0000948300000000, -0.0000645800000000, 0.0000782900000000 ] - [ 0.0050439000000000, -0.0014700400000000, -0.0098839700000000 ] - [ -0.0000318900000000, 0.0000489600000000, -0.0000474900000000 ] - [ 0.0000277000000000, -0.0006138100000000, 0.0001718400000000 ] - [ -0.0001861200000000, -0.0008257600000000, 0.0003538900000000 ] - [ -0.0001877300000000, -0.0002043000000000, -0.0001640500000000 ] - [ -0.0001950300000000, -0.0002099500000000, -0.0001230800000000 ] - [ 0.0033640300000000, -0.0017052100000000, -0.0327654900000000 ] - [ 0.0003674300000000, -0.0001461000000000, -0.0006192900000000 ] - [ -0.0005460500000000, 0.0000007900000000, 0.0001035700000000 ] - [ -0.0000066700000000, -0.0004091600000000, -0.0003182600000000 ] - [ -0.0005154900000000, -0.0003298500000000, 0.0002365100000000 ] - [ -0.0000349800000000, 0.0001715600000000, -0.0000617800000000 ] - [ -0.0022864600000000, -0.0006557900000000, 0.0047905400000000 ] - [ -0.0003337200000000, -0.0006983000000000, -0.0003660000000000 ] - [ 0.0004589000000000, 0.0001493900000000, 0.0006321300000000 ] - [ 0.0005970600000000, 0.0000081400000000, 0.0000803300000000 ] - [ 0.0001439000000000, 0.0000098000000000, -0.0000994600000000 ] - [ 0.0001934300000000, -0.0000099900000000, -0.0001201500000000 ] - [ -0.0004178000000000, 0.0001587400000000, 0.0002781000000000 ] - [ -0.0003588100000000, 0.0002083400000000, 0.0002467100000000 ] - [ 0.0000636400000000, 0.0001225900000000, -0.0001908500000000 ] - [ 0.0000728800000000, 0.0002579900000000, 0.0001433400000000 ] - [ 0.0025460400000000, 0.0012335200000000, -0.0099839600000000 ] - [ -0.0003070400000000, 0.0001621000000000, -0.0004496900000000 ] - [ 0.0001971600000000, 0.0000720500000000, 0.0000198600000000 ] - [ 0.0004755800000000, -0.0001509100000000, -0.0001864400000000 ] - [ 0.0000644400000000, -0.0000992600000000, -0.0000243600000000 ] - [ 0.0000798200000000, -0.0003304800000000, 0.0000093800000000 ] - [ -0.0006410200000000, -0.0001574300000000, -0.0008960600000000 ] - [ -0.0013106800000000, -0.0004991700000000, 0.0000370300000000 ] - [ 0.0005182500000000, -0.0015768000000000, 0.0004608300000000 ] - [ -0.0007152700000000, -0.0002849900000000, 0.0005623000000000 ] - [ 0.0085894000000000, -0.0040287800000000, -0.0074446400000000 ] - [ -0.0001741300000000, 0.0000680300000000, -0.0000942000000000 ] - [ 0.0004152700000000, -0.0005974500000000, 0.0004040600000000 ] - [ 0.0004496500000000, -0.0006717400000000, 0.0003622000000000 ] - [ 0.0030970200000000, 0.0013727500000000, -0.0095965400000000 ] - [ -0.0002637000000000, 0.0005945500000000, -0.0001798800000000 ] - [ 0.0001151600000000, 0.0001594800000000, -0.0006869400000000 ] - [ -0.0001180300000000, 0.0001621900000000, -0.0002550400000000 ] - [ 0.0004403900000000, 0.0019310100000000, 0.0002072700000000 ] - [ -0.0006792100000000, 0.0001561600000000, 0.0003290000000000 ] - [ -0.0001192200000000, 0.0001955900000000, -0.0000075100000000 ] - [ -0.0001204900000000, 0.0001891400000000, 0.0000103300000000 ] - [ 0.0006361100000000, 0.0002986400000000, -0.0000542500000000 ] - [ 0.0006770800000000, 0.0001720000000000, -0.0000570000000000 ] - [ -0.0003317900000000, -0.0001134000000000, 0.0006392500000000 ] - [ -0.0002967800000000, -0.0001238400000000, 0.0006320600000000 ] - [ 0.0000353700000000, 0.0000880700000000, 0.0000202000000000 ] - [ 0.0000431100000000, 0.0000894100000000, 0.0000581200000000 ] - [ 0.0001069300000000, 0.0005657000000000, 0.0001248200000000 ] - [ 0.0000984800000000, 0.0005563500000000, 0.0001530900000000 ] - [ 0.0003036000000000, -0.0000159900000000, 0.0004394000000000 ] - [ 0.0018299300000000, 0.0009759800000000, 0.0001854100000000 ] - [ -0.0001362400000000, 0.0000436100000000, -0.0006347000000000 ] - [ -0.0000713600000000, 0.0000532100000000, -0.0006682500000000 ] - [ 0.0002494600000000, -0.0003302600000000, -0.0016680200000000 ] - [ -0.0002924800000000, -0.0001634700000000, 0.0001343200000000 ] - [ -0.0000153500000000, 0.0004499200000000, 0.0004298000000000 ] - [ 0.0001832400000000, 0.0007950600000000, 0.0002376600000000 ] - [ 0.0006657300000000, -0.0003881000000000, -0.0002636600000000 ] - [ 0.0007205300000000, -0.0002842700000000, -0.0002842800000000 ] - [ 0.0000025700000000, -0.0001755100000000, 0.0008135100000000 ] - [ 0.0013296800000000, -0.0004584100000000, -0.0001440600000000 ] - [ 0.0035837700000000, -0.0021080800000000, -0.0371406100000000 ] - [ -0.0003184800000000, -0.0005423100000000, 0.0002703200000000 ] - [ 0.0003473800000000, -0.0005059900000000, -0.0002238200000000 ] - [ 0.0003606100000000, -0.0005137000000000, -0.0002020000000000 ] - [ 0.0004407100000000, -0.0008170700000000, -0.0014759100000000 ] - [ 0.0000042200000000, -0.0005839200000000, -0.0003616400000000 ] - [ 0.0000108700000000, 0.0006179000000000, 0.0002967100000000 ] - [ 0.0000331800000000, 0.0006274100000000, 0.0002800900000000 ] - [ 0.0000610800000000, 0.0006788500000000, -0.0008817400000000 ] - [ -0.0001587200000000, 0.0001914300000000, -0.0001325600000000 ] - [ 0.0001576800000000, 0.0001958500000000, 0.0000528200000000 ] - [ -0.0005695600000000, 0.0005824000000000, 0.0001651500000000 ] - [ -0.0005394700000000, 0.0003048100000000, 0.0011350900000000 ] - [ 0.0000503500000000, 0.0005958400000000, -0.0002025200000000 ] - [ -0.0002166700000000, -0.0001761500000000, 0.0001511800000000 ] - [ -0.0001843700000000, -0.0002027200000000, 0.0001180200000000 ] - [ 0.0003900700000000, -0.0000904900000000, -0.0000566600000000 ] - [ 0.0003720900000000, -0.0000690100000000, -0.0000086300000000 ] - [ -0.0006664700000000, 0.0000939800000000, 0.0007379500000000 ] - [ -0.0002693000000000, -0.0000983900000000, 0.0002304800000000 ] - [ -0.0020689800000000, -0.0003238400000000, 0.0056525500000000 ] - [ 0.0003050700000000, 0.0000432900000000, 0.0007240600000000 ] - [ 0.0001492400000000, -0.0000854600000000, -0.0001574900000000 ] - [ 0.0001117500000000, 0.0001468100000000, -0.0001620700000000 ] - [ -0.0020659700000000, 0.0004129200000000, 0.0048835400000000 ] - [ 0.0005440500000000, 0.0008625200000000, -0.0002364600000000 ] - [ 0.0002256300000000, 0.0001705400000000, 0.0003967000000000 ] - [ 0.0002413500000000, 0.0001272300000000, 0.0004575900000000 ]- atom: 33 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ 0.0003218800000000, -0.0010532800000000, -0.0003775400000000 ] - [ -0.0000346800000000, 0.0018949600000000, -0.0001153200000000 ] - [ -0.0004553500000000, 0.0003827300000000, -0.0002710800000000 ] - [ 0.0006637000000000, 0.0003980600000000, 0.0000119100000000 ] - [ -0.0000286200000000, -0.0003337200000000, 0.0001661000000000 ] - [ 0.0004148900000000, 0.0015959000000000, -0.0000439100000000 ] - [ -0.0080153500000000, 0.0046504200000000, 0.0035058400000000 ] - [ 0.0019340800000000, -0.0002912900000000, 0.0008110400000000 ] - [ -0.0006069500000000, 0.0015175300000000, 0.0001894500000000 ] - [ 0.0000591600000000, -0.0009966900000000, 0.0005626000000000 ] - [ -0.0047382200000000, 0.0072230600000000, -0.0059628300000000 ] - [ 0.0029262800000000, -0.0006435500000000, 0.0003305000000000 ] - [ -0.0065573600000000, -0.0013970900000000, 0.0014774900000000 ] - [ 0.0021899800000000, 0.0013207700000000, 0.0006389200000000 ] - [ 0.0001902400000000, 0.0012879400000000, -0.0002383100000000 ] - [ 0.0004863200000000, -0.0005324600000000, -0.0003265200000000 ] - [ 0.0031090500000000, 0.0006955500000000, 0.0054751300000000 ] - [ 0.0011763800000000, -0.0000802100000000, -0.0005901500000000 ] - [ 0.0098141800000000, -0.0001198800000000, -0.0043119000000000 ] - [ 0.0127621000000000, -0.0022043500000000, 0.0044096300000000 ] - [ -0.0012586500000000, -0.0054279000000000, -0.0036939900000000 ] - [ 0.0026845800000000, 0.0016422000000000, 0.0009747400000000 ] - [ -0.0004167600000000, 0.0004655800000000, 0.0000937000000000 ] - [ 0.0008077000000000, 0.0005696300000000, 0.0004294500000000 ] - [ 0.0022852900000000, -0.0071085100000000, 0.0013785600000000 ] - [ 0.0021692300000000, 0.0016072600000000, -0.0001530800000000 ] - [ -0.0011988400000000, -0.0005362800000000, -0.0001225500000000 ] - [ 0.0014876300000000, -0.0003566300000000, 0.0004148900000000 ] - [ -0.0010748500000000, -0.0019900000000000, -0.0006094100000000 ] - [ 0.0012767400000000, 0.0006222600000000, 0.0012206100000000 ] - [ -0.0008455200000000, -0.0008626400000000, -0.0006509500000000 ] - [ 0.0013066600000000, -0.0006128600000000, 0.0002064800000000 ] - [ -0.1178729200000000, -0.0128182200000000, -0.0004059900000000 ] - [ 0.0036931600000000, -0.0005439300000000, 0.0009381700000000 ] - [ -0.0012825400000000, -0.0000469500000000, 0.0003956900000000 ] - [ -0.0004462900000000, -0.0000697000000000, 0.0006441000000000 ] - [ 0.0015558700000000, 0.0099078400000000, 0.0022247300000000 ] - [ 0.0017579100000000, -0.0018153000000000, 0.0001445800000000 ] - [ -0.0008882700000000, -0.0000808300000000, -0.0005051400000000 ] - [ 0.0012168700000000, -0.0003546600000000, 0.0002024700000000 ] - [ -0.0032828500000000, -0.0002112000000000, -0.0053626200000000 ] - [ 0.0035623300000000, -0.0000101800000000, 0.0003781400000000 ] - [ -0.0014420400000000, 0.0000527600000000, -0.0001955100000000 ] - [ 0.0011324500000000, 0.0001262800000000, 0.0002681600000000 ] - [ -0.0011762100000000, 0.0015317300000000, -0.0005815600000000 ] - [ 0.0014864600000000, -0.0016595200000000, 0.0008190000000000 ] - [ -0.0011108100000000, -0.0006686800000000, -0.0004559000000000 ] - [ -0.0002914600000000, -0.0006751500000000, -0.0002630100000000 ] - [ -0.0002237700000000, -0.0002371000000000, 0.0000111600000000 ] - [ -0.0009333600000000, 0.0002007400000000, -0.0001823500000000 ] - [ 0.0127534800000000, -0.0038549500000000, 0.0002682800000000 ] - [ -0.0017124100000000, -0.0000007800000000, -0.0002406500000000 ] - [ -0.0002628600000000, 0.0007398000000000, -0.0000096500000000 ] - [ 0.0001075900000000, -0.0005811400000000, -0.0002853800000000 ] - [ 0.0011608800000000, -0.0005499100000000, 0.0019663900000000 ] - [ -0.0014705400000000, -0.0008005800000000, -0.0002382000000000 ] - [ -0.0003054300000000, -0.0011148300000000, -0.0000085600000000 ] - [ -0.0004507800000000, 0.0004258500000000, -0.0002774500000000 ] - [ 0.0012589900000000, 0.0010814500000000, -0.0017870200000000 ] - [ -0.0005294800000000, -0.0005294200000000, -0.0007993300000000 ] - [ 0.0099921700000000, 0.0000562400000000, -0.0002785700000000 ] - [ -0.0012396800000000, -0.0004079700000000, -0.0003027800000000 ] - [ 0.0004066100000000, 0.0001836400000000, 0.0003561400000000 ] - [ -0.0004923000000000, 0.0000959300000000, 0.0000683300000000 ] - [ -0.0043413400000000, 0.0016114200000000, -0.0023509500000000 ] - [ -0.0027365000000000, -0.0014825100000000, 0.0006477000000000 ] - [ -0.0028451400000000, -0.0016907100000000, -0.0013552200000000 ] - [ -0.0014873700000000, 0.0017656200000000, 0.0011340700000000 ] - [ 0.0005978200000000, -0.0002149700000000, -0.0000443400000000 ] - [ -0.0002301300000000, 0.0000755900000000, -0.0002276400000000 ] - [ -0.0005019800000000, -0.0000656100000000, 0.0001737700000000 ] - [ -0.0003514700000000, 0.0003753600000000, 0.0002635400000000 ] - [ 0.0005232800000000, 0.0001952000000000, 0.0002858600000000 ] - [ -0.0002283300000000, 0.0002011600000000, 0.0000032700000000 ] - [ 0.0003859000000000, 0.0007231900000000, -0.0001565500000000 ] - [ -0.0008221400000000, -0.0002614800000000, -0.0007311600000000 ] - [ 0.0008026900000000, -0.0000617700000000, -0.0001872600000000 ] - [ -0.0000371700000000, -0.0001225900000000, -0.0002996000000000 ] - [ 0.0002157100000000, -0.0003876700000000, 0.0000197200000000 ] - [ -0.0000885100000000, -0.0003261200000000, -0.0000356500000000 ] - [ 0.0007062000000000, -0.0002813300000000, 0.0017132900000000 ] - [ -0.0020377100000000, 0.0004084900000000, -0.0006950700000000 ] - [ 0.0092794300000000, 0.0002776500000000, -0.0012150200000000 ] - [ -0.0019130100000000, -0.0004000200000000, -0.0000425500000000 ] - [ 0.0016587100000000, 0.0003903400000000, 0.0015139100000000 ] - [ -0.0014285100000000, 0.0001044800000000, -0.0005047400000000 ] - [ 0.0007341900000000, -0.0005447400000000, 0.0004176400000000 ] - [ 0.0001608000000000, -0.0006642800000000, 0.0002991100000000 ] - [ -0.0005584000000000, 0.0015558700000000, 0.0000664700000000 ] - [ -0.0009289500000000, -0.0004585400000000, -0.0021240100000000 ] - [ -0.0011686900000000, -0.0007859600000000, -0.0003043200000000 ] - [ -0.0005414000000000, 0.0015290200000000, -0.0020118500000000 ] - [ 0.0001619500000000, -0.0001826500000000, 0.0001635100000000 ] - [ -0.0011579600000000, 0.0002466500000000, -0.0000753700000000 ] - [ 0.0001520300000000, 0.0009784200000000, 0.0003382100000000 ] - [ -0.0006366500000000, -0.0001251400000000, -0.0002272100000000 ] - [ -0.0000151300000000, -0.0027837000000000, 0.0016567500000000 ] - [ -0.0002112500000000, 0.0009394900000000, -0.0003670100000000 ] - [ 0.0005106200000000, -0.0001232000000000, 0.0009262100000000 ] - [ -0.0008565300000000, -0.0001575600000000, 0.0004906800000000 ] - [ 0.0004617100000000, -0.0000189600000000, 0.0001939500000000 ] - [ -0.0003528900000000, 0.0001297700000000, -0.0000531700000000 ] - [ 0.0003777400000000, 0.0006854500000000, 0.0002548700000000 ] - [ -0.0001821300000000, 0.0004497300000000, 0.0000698100000000 ] - [ 0.0237538800000000, 0.0074677100000000, 0.0011733000000000 ] - [ -0.0017980400000000, 0.0009092600000000, -0.0006224500000000 ] - [ 0.0032690300000000, -0.0013566600000000, -0.0003836300000000 ] - [ -0.0011696300000000, 0.0002542400000000, -0.0008452100000000 ] - [ 0.0009379500000000, -0.0012106900000000, 0.0004163000000000 ] - [ -0.0003962600000000, 0.0000586300000000, -0.0000255700000000 ] - [ 0.0225720400000000, -0.0159179000000000, 0.0014955100000000 ] - [ -0.0015196500000000, 0.0003644800000000, 0.0000594900000000 ] - [ 0.0009275100000000, -0.0003879500000000, -0.0001971300000000 ] - [ 0.0004821700000000, -0.0002404500000000, -0.0003473200000000 ] - [ 0.0020195400000000, -0.0014582900000000, 0.0000466000000000 ] - [ -0.0004498500000000, 0.0000721700000000, -0.0002758500000000 ] - [ -0.0011485500000000, 0.0012468800000000, 0.0012121000000000 ] - [ -0.0015634000000000, -0.0018332900000000, -0.0002489500000000 ] - [ 0.0010801400000000, 0.0000005100000000, -0.0000823700000000 ] - [ -0.0000887600000000, -0.0007614800000000, -0.0003321100000000 ] - [ 0.0000035000000000, -0.0003591900000000, -0.0003417600000000 ] - [ -0.0000073000000000, -0.0008765200000000, -0.0004261400000000 ] - [ 0.0006084500000000, 0.0018989600000000, 0.0002056500000000 ] - [ -0.0006044300000000, 0.0002892200000000, 0.0002199300000000 ] - [ 0.0008715800000000, 0.0000525700000000, 0.0021352100000000 ] - [ -0.0018265200000000, 0.0004654200000000, -0.0012671700000000 ] - [ 0.0003669100000000, -0.0000523100000000, 0.0003514500000000 ] - [ -0.0002647100000000, 0.0002844700000000, 0.0001589000000000 ] - [ -0.0000076000000000, 0.0008745600000000, -0.0002465200000000 ] - [ -0.0001081900000000, 0.0002587100000000, -0.0001847200000000 ] - [ -0.0006024300000000, -0.0015319900000000, -0.0001168900000000 ] - [ -0.0006483500000000, 0.0007034000000000, 0.0001028200000000 ] - [ 0.0002895300000000, -0.0003123700000000, 0.0000063000000000 ] - [ 0.0004166300000000, 0.0001305000000000, -0.0000227900000000 ] - [ 0.0386808700000000, 0.0192732800000000, -0.0000772300000000 ] - [ -0.0024992300000000, 0.0001535400000000, 0.0002380200000000 ] - [ 0.0005570300000000, 0.0014464700000000, 0.0006795300000000 ] - [ -0.0005993500000000, -0.0004003100000000, 0.0006039600000000 ] - [ 0.0005791800000000, -0.0017320600000000, -0.0024140700000000 ] - [ -0.0008512800000000, 0.0007428500000000, -0.0002971900000000 ] - [ -0.0006808800000000, 0.0016926500000000, -0.0005751200000000 ] - [ -0.0003886900000000, -0.0004878400000000, 0.0000395800000000 ] - [ 0.0019673200000000, -0.0002780100000000, 0.0011568500000000 ] - [ -0.0007353100000000, 0.0003556200000000, 0.0000698500000000 ]- atom: 33 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ -0.0007268000000000, 0.0016967000000000, -0.0001336800000000 ] - [ -0.0003805500000000, -0.0012550700000000, -0.0003980400000000 ] - [ 0.0006626900000000, 0.0003650400000000, 0.0000070200000000 ] - [ -0.0004543900000000, 0.0003507600000000, -0.0002752200000000 ] - [ 0.0000936100000000, 0.0017894000000000, -0.0003074600000000 ] - [ -0.0003583600000000, -0.0001403700000000, -0.0001006300000000 ] - [ 0.0075562800000000, -0.0041003100000000, -0.0028441800000000 ] - [ -0.0023462900000000, 0.0008866400000000, -0.0001172900000000 ] - [ -0.0004392700000000, -0.0015145400000000, 0.0005137900000000 ] - [ -0.0011136300000000, 0.0009995900000000, 0.0001387700000000 ] - [ 0.0057400600000000, -0.0072303800000000, 0.0052592600000000 ] - [ -0.0018847600000000, 0.0006559200000000, -0.0010342500000000 ] - [ 0.0064848800000000, 0.0028875800000000, -0.0013572900000000 ] - [ -0.0022543100000000, 0.0001287100000000, -0.0004954900000000 ] - [ 0.0002210000000000, -0.0007006600000000, -0.0004544800000000 ] - [ -0.0000816100000000, 0.0011218100000000, -0.0003681800000000 ] - [ -0.0033208200000000, 0.0000383700000000, -0.0052447100000000 ] - [ -0.0013971000000000, 0.0008287200000000, 0.0008384800000000 ] - [ -0.0102541700000000, 0.0011210400000000, 0.0038316400000000 ] - [ -0.0130378200000000, 0.0032180800000000, -0.0048813700000000 ] - [ 0.0016447200000000, 0.0060681200000000, 0.0042083900000000 ] - [ -0.0022792800000000, -0.0010090200000000, -0.0004627400000000 ] - [ 0.0007907100000000, 0.0005569900000000, 0.0004225900000000 ] - [ -0.0004324600000000, 0.0004535000000000, 0.0000870200000000 ] - [ -0.0025588400000000, 0.0072343900000000, -0.0015590800000000 ] - [ -0.0024785200000000, -0.0015213600000000, -0.0000337100000000 ] - [ 0.0021741700000000, -0.0001789700000000, 0.0004672200000000 ] - [ -0.0005126200000000, -0.0003487700000000, -0.0000701000000000 ] - [ 0.0003143000000000, 0.0005974500000000, 0.0008751000000000 ] - [ -0.0020544200000000, -0.0020090300000000, -0.0009636800000000 ] - [ 0.0016193000000000, -0.0005273500000000, 0.0003907600000000 ] - [ -0.0005347300000000, -0.0007824600000000, -0.0004672200000000 ] - [ 0.1199456600000000, 0.0128086600000000, 0.0006928100000000 ] - [ -0.0022941500000000, -0.0008273300000000, -0.0002209400000000 ] - [ -0.0004418200000000, -0.0001100100000000, 0.0006573500000000 ] - [ -0.0012819900000000, -0.0000869100000000, 0.0004080200000000 ] - [ -0.0025313600000000, -0.0106386600000000, -0.0025607600000000 ] - [ -0.0027343300000000, 0.0010983500000000, -0.0004864500000000 ] - [ 0.0014792400000000, -0.0006056500000000, 0.0003651500000000 ] - [ -0.0006281800000000, -0.0003259000000000, -0.0003430400000000 ] - [ 0.0050076900000000, 0.0000505500000000, 0.0043085800000000 ] - [ -0.0018411000000000, -0.0001540800000000, -0.0014383800000000 ] - [ 0.0017413300000000, 0.0000304900000000, 0.0003861000000000 ] - [ -0.0008346900000000, -0.0000489000000000, -0.0000781500000000 ] - [ 0.0005881600000000, -0.0022214100000000, 0.0007346900000000 ] - [ -0.0020868500000000, 0.0009657600000000, -0.0006684900000000 ] - [ -0.0002954500000000, -0.0007021000000000, -0.0002708700000000 ] - [ -0.0011165500000000, -0.0006927600000000, -0.0004671200000000 ] - [ -0.0008964000000000, 0.0003042400000000, -0.0001736500000000 ] - [ -0.0001883900000000, -0.0001353100000000, 0.0000193200000000 ] - [ -0.0131332700000000, 0.0040477500000000, -0.0000002200000000 ] - [ 0.0013746500000000, -0.0000347700000000, 0.0004974900000000 ] - [ 0.0004905100000000, -0.0003668700000000, -0.0000134700000000 ] - [ 0.0001286100000000, 0.0009571500000000, 0.0002658500000000 ] - [ -0.0011819100000000, -0.0006800100000000, -0.0012030300000000 ] - [ 0.0014389700000000, -0.0004186400000000, 0.0009885900000000 ] - [ -0.0000890800000000, 0.0006810400000000, -0.0002385100000000 ] - [ 0.0000599900000000, -0.0008578900000000, 0.0000309300000000 ] - [ -0.0006454500000000, -0.0013360300000000, 0.0005051400000000 ] - [ 0.0011552800000000, 0.0002708200000000, -0.0004778000000000 ] - [ -0.0101112300000000, -0.0007526000000000, 0.0001017500000000 ] - [ 0.0011088100000000, -0.0002895800000000, 0.0003042400000000 ] - [ -0.0006156900000000, 0.0001151700000000, -0.0000181800000000 ] - [ 0.0002836400000000, 0.0001999800000000, 0.0002693300000000 ] - [ 0.0035227100000000, -0.0029072300000000, 0.0016504800000000 ] - [ 0.0018733300000000, 0.0002050700000000, -0.0013632100000000 ] - [ 0.0039573300000000, 0.0017669000000000, 0.0015146500000000 ] - [ 0.0026001300000000, -0.0016832000000000, -0.0009649300000000 ] - [ -0.0002650600000000, 0.0001814300000000, -0.0002131500000000 ] - [ 0.0005653400000000, -0.0001074400000000, -0.0000289600000000 ] - [ -0.0002851200000000, 0.0004150300000000, 0.0002963600000000 ] - [ -0.0004335200000000, -0.0000255300000000, 0.0002073500000000 ] - [ -0.0002614700000000, 0.0002274000000000, -0.0000184500000000 ] - [ 0.0004914300000000, 0.0002200800000000, 0.0002643000000000 ] - [ -0.0008676400000000, -0.0004297700000000, -0.0007484300000000 ] - [ 0.0003448300000000, 0.0005527800000000, -0.0001719500000000 ] - [ -0.0001094100000000, -0.0001482500000000, -0.0002866100000000 ] - [ 0.0007317000000000, -0.0000890500000000, -0.0001739400000000 ] - [ -0.0000894300000000, -0.0003097100000000, -0.0000220200000000 ] - [ 0.0002158900000000, -0.0003713600000000, 0.0000338600000000 ] - [ -0.0014646200000000, 0.0001423700000000, -0.0016740600000000 ] - [ 0.0012677200000000, -0.0005514300000000, 0.0007214000000000 ] - [ -0.0107132300000000, -0.0009026000000000, 0.0020160100000000 ] - [ 0.0005105500000000, -0.0001959200000000, 0.0006064100000000 ] - [ -0.0017377300000000, -0.0002276600000000, -0.0016308100000000 ] - [ 0.0013595700000000, 0.0000461200000000, 0.0003976700000000 ] - [ 0.0001193600000000, -0.0007254800000000, 0.0003036900000000 ] - [ 0.0006925600000000, -0.0006048100000000, 0.0004220800000000 ] - [ 0.0003399800000000, -0.0004710600000000, -0.0003845100000000 ] - [ 0.0007196200000000, 0.0015409200000000, 0.0018023100000000 ] - [ 0.0010033500000000, 0.0011004600000000, -0.0002199200000000 ] - [ 0.0003872700000000, -0.0012117100000000, 0.0014854100000000 ] - [ -0.0014940200000000, 0.0005352400000000, -0.0000508800000000 ] - [ -0.0001730600000000, 0.0001017700000000, 0.0001890200000000 ] - [ -0.0003830800000000, -0.0006066700000000, -0.0003150000000000 ] - [ 0.0004012100000000, 0.0005020000000000, 0.0002479300000000 ] - [ 0.0013394700000000, 0.0031332200000000, -0.0017694100000000 ] - [ 0.0015397600000000, -0.0005850600000000, 0.0002527400000000 ] - [ -0.0011401800000000, -0.0001348800000000, 0.0003520500000000 ] - [ 0.0002289600000000, -0.0000969500000000, 0.0007877300000000 ] - [ -0.0003969400000000, 0.0001703800000000, -0.0000866700000000 ] - [ 0.0004198100000000, 0.0000227700000000, 0.0001607800000000 ] - [ -0.0001673500000000, 0.0004033700000000, 0.0000599100000000 ] - [ 0.0003917600000000, 0.0006400900000000, 0.0002448500000000 ] - [ -0.0215458500000000, -0.0061196500000000, -0.0014276900000000 ] - [ 0.0025874600000000, -0.0005630900000000, 0.0001502200000000 ] - [ -0.0034770600000000, 0.0014210300000000, -0.0009685600000000 ] - [ 0.0009656400000000, -0.0001847300000000, -0.0005061500000000 ] - [ -0.0005489800000000, 0.0007797700000000, -0.0001685300000000 ] - [ 0.0007855200000000, -0.0004960800000000, 0.0002728000000000 ] - [ -0.0221241100000000, 0.0161317100000000, -0.0009898400000000 ] - [ 0.0015545400000000, 0.0007370400000000, 0.0003613700000000 ] - [ 0.0004707600000000, -0.0002074100000000, -0.0003661500000000 ] - [ 0.0009175900000000, -0.0003547300000000, -0.0002157600000000 ] - [ -0.0016205500000000, 0.0010620400000000, -0.0002751700000000 ] - [ 0.0008419300000000, -0.0004750300000000, 0.0000469200000000 ] - [ 0.0004348800000000, -0.0022943500000000, -0.0007792400000000 ] - [ 0.0008576200000000, 0.0007908100000000, 0.0006869500000000 ] - [ -0.0003756600000000, -0.0010396100000000, -0.0003565600000000 ] - [ 0.0007934600000000, -0.0002748500000000, -0.0001060900000000 ] - [ 0.0000253000000000, -0.0008630600000000, -0.0004091600000000 ] - [ 0.0000382300000000, -0.0003455700000000, -0.0003239300000000 ] - [ -0.0005663400000000, -0.0006802300000000, 0.0003524800000000 ] - [ 0.0006419600000000, 0.0009365100000000, 0.0003379700000000 ] - [ -0.0011496600000000, 0.0003665900000000, -0.0024214900000000 ] - [ 0.0015608000000000, -0.0000407100000000, 0.0009950800000000 ] - [ -0.0002069000000000, 0.0003619100000000, 0.0001716100000000 ] - [ 0.0004226400000000, 0.0000238100000000, 0.0003635500000000 ] - [ -0.0000314900000000, 0.0002238900000000, -0.0001736500000000 ] - [ 0.0000715800000000, 0.0008396800000000, -0.0002351500000000 ] - [ 0.0002034500000000, 0.0011335800000000, 0.0003446000000000 ] - [ 0.0002549100000000, -0.0011003400000000, 0.0001263300000000 ] - [ 0.0004801800000000, 0.0001706600000000, -0.0000281800000000 ] - [ 0.0003551700000000, -0.0002720400000000, 0.0000014100000000 ] - [ -0.0415224600000000, -0.0211753100000000, 0.0006004400000000 ] - [ 0.0017965700000000, -0.0003615300000000, 0.0002365200000000 ] - [ -0.0003630300000000, -0.0013737300000000, 0.0006710000000000 ] - [ 0.0008010200000000, 0.0004656900000000, 0.0007483800000000 ] - [ -0.0003827700000000, 0.0020343400000000, 0.0020799200000000 ] - [ 0.0010562400000000, -0.0004440300000000, -0.0000388000000000 ] - [ 0.0006352400000000, -0.0004752600000000, 0.0000168900000000 ] - [ 0.0003511000000000, 0.0017106500000000, -0.0005961000000000 ] - [ -0.0014957100000000, 0.0005670600000000, -0.0002536600000000 ] - [ 0.0012093500000000, -0.0000621400000000, 0.0008338400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018461600000000, 0.0021865700000000, -0.0002792900000000 ] - [ 0.0014004000000000, 0.0023646500000000, 0.0001181400000000 ] - [ 0.0003402900000000, 0.0032614900000000, -0.0000462600000000 ] - [ 0.0000901600000000, 0.0018966300000000, -0.0001403300000000 ] - [ -0.0012526700000000, 0.0029484700000000, -0.0008222000000000 ] - [ 0.0008947500000000, 0.0023463000000000, 0.0001874400000000 ] - [ 0.0044110900000000, 0.0059233000000000, 0.0146932900000000 ] - [ -0.0006712500000000, -0.0008586700000000, 0.0002150500000000 ] - [ 0.0005450700000000, 0.0022029600000000, 0.0003865900000000 ] - [ -0.0017342300000000, 0.0018388100000000, -0.0000132900000000 ] - [ 0.0076455100000000, 0.0083749400000000, -0.0106715900000000 ] - [ 0.0000502900000000, -0.0008834900000000, -0.0004572700000000 ] - [ -0.0004883600000000, 0.0078978600000000, -0.0102559400000000 ] - [ 0.0003416600000000, 0.0002438300000000, 0.0001300600000000 ] - [ 0.0008666400000000, 0.0021386800000000, -0.0000130200000000 ] - [ -0.0007224400000000, 0.0023019200000000, -0.0005485700000000 ] - [ 0.0010155400000000, -0.0045993900000000, 0.0011195000000000 ] - [ -0.0003157000000000, -0.0043452600000000, 0.0000790700000000 ] - [ 0.0023373100000000, -0.0056987500000000, -0.0009501600000000 ] - [ -0.0007264100000000, -0.0080720900000000, -0.0002921100000000 ] - [ -0.0046568900000000, 0.0066313700000000, 0.0060006500000000 ] - [ 0.0011791000000000, 0.0002992600000000, 0.0005578500000000 ] - [ 0.0004052500000000, 0.0033881100000000, 0.0002715400000000 ] - [ 0.0002029600000000, 0.0019598400000000, 0.0002521100000000 ] - [ -0.0105258600000000, 0.0043671600000000, -0.0037631800000000 ] - [ 0.0013619900000000, -0.0005529100000000, -0.0000532500000000 ] - [ 0.0005190000000000, 0.0035784600000000, 0.0001709800000000 ] - [ 0.0005828100000000, 0.0003643300000000, 0.0001951000000000 ] - [ -0.0022996300000000, -0.0012989900000000, -0.0004627800000000 ] - [ 0.0009456300000000, -0.0011570200000000, 0.0007817100000000 ] - [ 0.0006199800000000, 0.0017189500000000, -0.0000652900000000 ] - [ 0.0003672300000000, 0.0000053300000000, -0.0001534800000000 ] - [ -0.0122930600000000, -0.1325960300000000, 0.0064488200000000 ] - [ 0.0008447400000000, -0.0021851800000000, 0.0004305800000000 ] - [ -0.0008714800000000, 0.0018536600000000, 0.0004790500000000 ] - [ -0.0008395900000000, 0.0013470800000000, 0.0005147600000000 ] - [ 0.0065209400000000, 0.0052965200000000, 0.0021206400000000 ] - [ -0.0019877200000000, -0.0008262500000000, -0.0004234500000000 ] - [ 0.0002142500000000, 0.0021935500000000, -0.0002451600000000 ] - [ 0.0004192100000000, 0.0003468000000000, -0.0000477500000000 ] - [ 0.0011707900000000, -0.0061685200000000, -0.0014663100000000 ] - [ 0.0009638900000000, -0.0015553800000000, -0.0005262700000000 ] - [ 0.0001582600000000, 0.0039686200000000, -0.0000382500000000 ] - [ 0.0001325000000000, 0.0008024700000000, 0.0000995100000000 ] - [ 0.0010874700000000, -0.0008635000000000, 0.0005244000000000 ] - [ -0.0016577500000000, -0.0007446800000000, -0.0004571500000000 ] - [ -0.0007188500000000, 0.0015045600000000, -0.0003218900000000 ] - [ -0.0007088800000000, 0.0008011100000000, -0.0003446500000000 ] - [ -0.0007560900000000, -0.0015416800000000, -0.0000933000000000 ] - [ -0.0002505900000000, -0.0006314800000000, 0.0000050400000000 ] - [ -0.0056774500000000, 0.0211483000000000, 0.0011884900000000 ] - [ -0.0005048700000000, 0.0005568200000000, 0.0000641500000000 ] - [ 0.0009364500000000, 0.0001052100000000, 0.0002295100000000 ] - [ -0.0013256500000000, -0.0007252900000000, -0.0007081200000000 ] - [ 0.0002938100000000, 0.0020423600000000, -0.0000603200000000 ] - [ -0.0002741300000000, 0.0000439200000000, 0.0001692200000000 ] - [ -0.0008266300000000, -0.0010131200000000, -0.0001686600000000 ] - [ 0.0003510400000000, -0.0007060700000000, 0.0001485800000000 ] - [ 0.0018396700000000, -0.0012336400000000, 0.0022327200000000 ] - [ -0.0001621400000000, 0.0000691600000000, -0.0007888300000000 ] - [ 0.0003309800000000, 0.0116599800000000, -0.0002428800000000 ] - [ -0.0000784800000000, 0.0004757600000000, 0.0000228800000000 ] - [ -0.0002280500000000, -0.0013495700000000, -0.0001462600000000 ] - [ -0.0002041200000000, -0.0002928900000000, 0.0001277800000000 ] - [ 0.0025653300000000, 0.0035654100000000, 0.0005058400000000 ] - [ -0.0014483900000000, 0.0009376300000000, 0.0000426400000000 ] - [ -0.0019664400000000, 0.0005703400000000, -0.0008505600000000 ] - [ 0.0036001500000000, 0.0014614800000000, -0.0004952200000000 ] - [ -0.0003278600000000, -0.0014439200000000, -0.0003166500000000 ] - [ 0.0003310200000000, -0.0006097900000000, -0.0000846600000000 ] - [ -0.0006583700000000, -0.0007550400000000, 0.0001055100000000 ] - [ -0.0003782100000000, -0.0008450400000000, 0.0001892000000000 ] - [ 0.0002885700000000, -0.0010350500000000, 0.0001608800000000 ] - [ 0.0001690700000000, -0.0003811500000000, 0.0001166800000000 ] - [ 0.0002169000000000, -0.0007480700000000, -0.0002951700000000 ] - [ -0.0007311800000000, -0.0002073800000000, -0.0006627900000000 ] - [ 0.0004840000000000, -0.0015499000000000, -0.0001411000000000 ] - [ 0.0003504800000000, -0.0007017900000000, -0.0002008400000000 ] - [ 0.0001118900000000, -0.0014392200000000, 0.0000189100000000 ] - [ 0.0001127400000000, -0.0012806000000000, 0.0000049900000000 ] - [ -0.0013079300000000, 0.0028982600000000, 0.0005314600000000 ] - [ -0.0004530200000000, 0.0008478300000000, 0.0001495200000000 ] - [ -0.0001130700000000, 0.0111228400000000, -0.0035872400000000 ] - [ -0.0007179000000000, 0.0004192200000000, 0.0002634700000000 ] - [ 0.0005372000000000, 0.0018600500000000, -0.0007360300000000 ] - [ -0.0004098000000000, 0.0006979700000000, -0.0001802400000000 ] - [ 0.0006219300000000, -0.0022946000000000, 0.0004968200000000 ] - [ 0.0004749400000000, -0.0013101500000000, 0.0004059500000000 ] - [ 0.0005901100000000, 0.0023480900000000, 0.0001171400000000 ] - [ -0.0013824400000000, 0.0023134600000000, -0.0013195900000000 ] - [ -0.0007563900000000, 0.0009095600000000, -0.0003792500000000 ] - [ 0.0021995300000000, 0.0014681000000000, 0.0017839600000000 ] - [ -0.0005986300000000, -0.0015984000000000, 0.0004849300000000 ] - [ -0.0007176600000000, -0.0001094600000000, 0.0000540800000000 ] - [ 0.0006678100000000, -0.0014953900000000, 0.0003741600000000 ] - [ -0.0003740600000000, -0.0000461600000000, -0.0001154000000000 ] - [ -0.0011616500000000, -0.0010794400000000, 0.0009831600000000 ] - [ 0.0013121600000000, 0.0003129800000000, 0.0001599400000000 ] - [ -0.0007536100000000, -0.0016117900000000, 0.0009710000000000 ] - [ -0.0002239900000000, -0.0004217700000000, 0.0006687500000000 ] - [ -0.0003513300000000, -0.0010512700000000, -0.0000279400000000 ] - [ 0.0001403100000000, -0.0005023500000000, 0.0000733100000000 ] - [ 0.0002807700000000, -0.0009044600000000, 0.0001088500000000 ] - [ 0.0000395700000000, -0.0001365900000000, 0.0001022800000000 ] - [ 0.0077233000000000, 0.0170284800000000, -0.0000129300000000 ] - [ 0.0002521200000000, 0.0012592600000000, -0.0004623900000000 ] - [ -0.0009094700000000, -0.0040276500000000, -0.0010083600000000 ] - [ 0.0000567300000000, 0.0000028000000000, -0.0006277900000000 ] - [ 0.0002181400000000, -0.0019924600000000, 0.0002542800000000 ] - [ 0.0003252100000000, -0.0001546000000000, 0.0001990600000000 ] - [ -0.0161521100000000, 0.0329601300000000, -0.0012875500000000 ] - [ -0.0003726600000000, 0.0011663800000000, 0.0002368500000000 ] - [ 0.0007358600000000, -0.0013362600000000, -0.0002626400000000 ] - [ 0.0007733600000000, -0.0010148300000000, -0.0002595000000000 ] - [ -0.0013749700000000, -0.0034491400000000, -0.0005585800000000 ] - [ 0.0005333700000000, -0.0001741400000000, -0.0000680500000000 ] - [ 0.0023474100000000, -0.0009667900000000, -0.0008170300000000 ] - [ -0.0013539100000000, -0.0004623700000000, -0.0000511600000000 ] - [ 0.0003269700000000, -0.0023490600000000, -0.0005819300000000 ] - [ 0.0002952300000000, -0.0009433200000000, -0.0002402800000000 ] - [ 0.0001914400000000, -0.0016157800000000, -0.0003522400000000 ] - [ -0.0001341100000000, -0.0016094800000000, -0.0005243300000000 ] - [ 0.0010822800000000, -0.0017703500000000, 0.0005933500000000 ] - [ -0.0003536200000000, 0.0003932700000000, 0.0002487700000000 ] - [ -0.0002766000000000, 0.0023973300000000, 0.0007724800000000 ] - [ 0.0001901400000000, 0.0011938600000000, -0.0002241200000000 ] - [ -0.0001216400000000, -0.0010437300000000, 0.0002181800000000 ] - [ 0.0004181200000000, -0.0004652200000000, 0.0003673000000000 ] - [ 0.0001961900000000, -0.0006054300000000, -0.0001353000000000 ] - [ -0.0002647300000000, -0.0004710300000000, -0.0001620000000000 ] - [ -0.0012097900000000, -0.0011436600000000, -0.0002438100000000 ] - [ 0.0009563000000000, -0.0008715800000000, 0.0002651300000000 ] - [ 0.0001135300000000, -0.0009935100000000, 0.0000036600000000 ] - [ 0.0003333500000000, -0.0011125400000000, 0.0000459000000000 ] - [ 0.0189109900000000, 0.0228122800000000, 0.0006093900000000 ] - [ -0.0001224600000000, 0.0008549600000000, 0.0004692600000000 ] - [ 0.0013058600000000, -0.0026289300000000, 0.0009932300000000 ] - [ -0.0004243500000000, -0.0002834900000000, 0.0006164900000000 ] - [ -0.0014297900000000, 0.0001961400000000, -0.0027073900000000 ] - [ 0.0005146700000000, 0.0006585900000000, -0.0001234600000000 ] - [ 0.0012216000000000, 0.0002614500000000, 0.0000899000000000 ] - [ -0.0016728000000000, -0.0001403300000000, -0.0003351700000000 ] - [ -0.0002730600000000, -0.0004340700000000, 0.0002035900000000 ] - [ 0.0003797700000000, 0.0001451200000000, 0.0004804800000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014351700000000, -0.0015487200000000, -0.0002334600000000 ] - [ -0.0018011800000000, -0.0017281800000000, -0.0006295200000000 ] - [ -0.0001278500000000, -0.0025155400000000, -0.0002166600000000 ] - [ 0.0001200300000000, -0.0011508800000000, -0.0001239300000000 ] - [ 0.0013114100000000, -0.0014947100000000, 0.0006781800000000 ] - [ -0.0008295200000000, -0.0008949100000000, -0.0003284800000000 ] - [ -0.0047843700000000, -0.0053210100000000, -0.0138869000000000 ] - [ 0.0002610500000000, 0.0014405700000000, 0.0004779200000000 ] - [ -0.0015980800000000, -0.0021990700000000, 0.0003160200000000 ] - [ 0.0006894300000000, -0.0018347700000000, 0.0007165600000000 ] - [ -0.0065257300000000, -0.0083245000000000, 0.0098759600000000 ] - [ 0.0009976300000000, 0.0008813900000000, -0.0002449800000000 ] - [ 0.0004452500000000, -0.0064821600000000, 0.0104758100000000 ] - [ -0.0004029500000000, 0.0012136200000000, 0.0000117100000000 ] - [ -0.0004599800000000, -0.0015508400000000, -0.0006828200000000 ] - [ 0.0011361200000000, -0.0017142900000000, -0.0001444300000000 ] - [ -0.0012097300000000, 0.0053500000000000, -0.0008460900000000 ] - [ 0.0000937800000000, 0.0050962800000000, 0.0001806300000000 ] - [ -0.0026875500000000, 0.0067131700000000, 0.0004305100000000 ] - [ 0.0003158300000000, 0.0091057600000000, -0.0002338800000000 ] - [ 0.0051025700000000, -0.0060084300000000, -0.0055084200000000 ] - [ -0.0007709100000000, 0.0003444500000000, -0.0000447800000000 ] - [ -0.0000263300000000, -0.0023681500000000, 0.0002451000000000 ] - [ 0.0001734200000000, -0.0009395700000000, 0.0002646900000000 ] - [ 0.0101786100000000, -0.0042715500000000, 0.0035681600000000 ] - [ -0.0016682200000000, 0.0006223000000000, -0.0001322400000000 ] - [ 0.0004552600000000, -0.0042906500000000, 0.0001693400000000 ] - [ 0.0003937800000000, -0.0010789800000000, 0.0001491500000000 ] - [ 0.0015294900000000, -0.0001078400000000, 0.0007192200000000 ] - [ -0.0017159300000000, -0.0002452900000000, -0.0005254400000000 ] - [ 0.0001538000000000, -0.0031140900000000, -0.0001950200000000 ] - [ 0.0004072500000000, -0.0013980100000000, -0.0001070300000000 ] - [ 0.0132717400000000, 0.1316182700000000, -0.0061846100000000 ] - [ 0.0005592600000000, 0.0008096600000000, 0.0002885000000000 ] - [ -0.0008539700000000, -0.0020135400000000, 0.0005726400000000 ] - [ -0.0008831600000000, -0.0015057600000000, 0.0005378400000000 ] - [ -0.0075531900000000, -0.0060077200000000, -0.0024637200000000 ] - [ 0.0010121700000000, 0.0001194800000000, 0.0000829200000000 ] - [ 0.0003801000000000, -0.0028757700000000, 0.0001054500000000 ] - [ 0.0001742500000000, -0.0010329600000000, -0.0000938300000000 ] - [ 0.0005541400000000, 0.0060028600000000, 0.0004099300000000 ] - [ 0.0007620900000000, 0.0013872400000000, -0.0005328000000000 ] - [ 0.0001497000000000, -0.0038970000000000, 0.0002325200000000 ] - [ 0.0001688800000000, -0.0007235600000000, 0.0000907700000000 ] - [ -0.0016865800000000, 0.0001886000000000, -0.0003797400000000 ] - [ 0.0010605600000000, 0.0000597700000000, 0.0006083900000000 ] - [ -0.0006867700000000, -0.0028780600000000, -0.0004071400000000 ] - [ -0.0006943600000000, -0.0021737500000000, -0.0003831200000000 ] - [ -0.0003645500000000, 0.0016039700000000, -0.0000698600000000 ] - [ -0.0008682700000000, 0.0006954300000000, -0.0001679200000000 ] - [ 0.0045812200000000, -0.0193422600000000, -0.0008485700000000 ] - [ 0.0001695400000000, -0.0005903900000000, 0.0001924800000000 ] - [ -0.0007031700000000, 0.0002692600000000, -0.0002502600000000 ] - [ 0.0015521600000000, 0.0010980900000000, 0.0006850500000000 ] - [ -0.0003186300000000, -0.0032880300000000, 0.0008158100000000 ] - [ 0.0002426300000000, -0.0012697700000000, 0.0005801700000000 ] - [ 0.0004369000000000, 0.0005742200000000, -0.0000776800000000 ] - [ -0.0007446800000000, 0.0002669300000000, -0.0003965800000000 ] - [ -0.0012083900000000, 0.0009744000000000, -0.0034975000000000 ] - [ 0.0007884100000000, -0.0003247100000000, -0.0004896700000000 ] - [ -0.0004497500000000, -0.0123558300000000, 0.0000587200000000 ] - [ -0.0000501000000000, -0.0011747000000000, -0.0000209400000000 ] - [ 0.0000223600000000, 0.0016426800000000, 0.0004829800000000 ] - [ -0.0000021100000000, 0.0005878100000000, 0.0002098400000000 ] - [ -0.0034167600000000, -0.0048208900000000, -0.0012243200000000 ] - [ 0.0005977500000000, -0.0022071400000000, -0.0007654500000000 ] - [ 0.0030776100000000, -0.0005134600000000, 0.0010072800000000 ] - [ -0.0024844400000000, -0.0014039900000000, 0.0006574200000000 ] - [ 0.0006672300000000, 0.0014116900000000, 0.0000607500000000 ] - [ 0.0000042700000000, 0.0005737600000000, -0.0001724600000000 ] - [ -0.0001247100000000, 0.0011024000000000, 0.0003651500000000 ] - [ -0.0004077600000000, 0.0011925500000000, 0.0002808300000000 ] - [ -0.0000236000000000, 0.0014540600000000, 0.0001066900000000 ] - [ 0.0000951000000000, 0.0008005300000000, 0.0001504400000000 ] - [ -0.0006923100000000, 0.0010393300000000, -0.0006075900000000 ] - [ 0.0002534200000000, 0.0004987800000000, -0.0002407600000000 ] - [ 0.0002126300000000, 0.0013357300000000, -0.0003322500000000 ] - [ 0.0003452100000000, 0.0004884400000000, -0.0002730400000000 ] - [ 0.0000185300000000, 0.0007392200000000, -0.0000205000000000 ] - [ 0.0000154300000000, 0.0005811200000000, -0.0000072300000000 ] - [ 0.0005460700000000, -0.0030226600000000, -0.0005061900000000 ] - [ -0.0003194900000000, -0.0009894500000000, -0.0001272900000000 ] - [ -0.0012982700000000, -0.0117794000000000, 0.0043568300000000 ] - [ -0.0006820700000000, -0.0010160700000000, 0.0002999800000000 ] - [ -0.0006073100000000, -0.0016886900000000, 0.0006213000000000 ] - [ 0.0003425200000000, -0.0005458600000000, 0.0000736300000000 ] - [ 0.0002333400000000, 0.0010238800000000, 0.0002240200000000 ] - [ 0.0003814100000000, 0.0000375600000000, 0.0003153300000000 ] - [ -0.0008046300000000, -0.0012558500000000, -0.0004326500000000 ] - [ 0.0011720600000000, -0.0012197800000000, 0.0010070000000000 ] - [ 0.0005930400000000, -0.0006074000000000, -0.0001425500000000 ] - [ -0.0023644300000000, -0.0011695500000000, -0.0023090000000000 ] - [ -0.0007304400000000, 0.0019437200000000, -0.0003697500000000 ] - [ -0.0006117500000000, 0.0004580800000000, 0.0000592200000000 ] - [ -0.0009009900000000, 0.0018694900000000, -0.0003564600000000 ] - [ 0.0001435400000000, 0.0004169100000000, 0.0001367300000000 ] - [ 0.0024977600000000, 0.0014179900000000, -0.0010968500000000 ] - [ 0.0000169900000000, 0.0000317100000000, -0.0002737700000000 ] - [ 0.0001292400000000, 0.0013558600000000, 0.0003041900000000 ] - [ -0.0004022100000000, 0.0001623700000000, 0.0006094500000000 ] - [ 0.0004210300000000, 0.0012011100000000, 0.0001355200000000 ] - [ -0.0000731500000000, 0.0006509200000000, 0.0000335800000000 ] - [ -0.0000694800000000, 0.0019923400000000, 0.0002057900000000 ] - [ 0.0001732400000000, 0.0012231800000000, 0.0002126300000000 ] - [ -0.0063758000000000, -0.0163769500000000, -0.0003799000000000 ] - [ 0.0005314800000000, -0.0009093000000000, -0.0000097000000000 ] - [ 0.0007138600000000, 0.0041198800000000, -0.0003428800000000 ] - [ -0.0002584200000000, 0.0000598700000000, -0.0007234300000000 ] - [ 0.0001742400000000, 0.0015524200000000, -0.0000043300000000 ] - [ 0.0000667300000000, -0.0002809100000000, 0.0000483200000000 ] - [ 0.0176402800000000, -0.0337196600000000, 0.0019080600000000 ] - [ 0.0004081800000000, -0.0000722600000000, 0.0001838700000000 ] - [ 0.0006661900000000, 0.0007388700000000, -0.0003007200000000 ] - [ 0.0006267600000000, 0.0004174900000000, -0.0003041100000000 ] - [ 0.0017623300000000, 0.0030350100000000, 0.0003271800000000 ] - [ -0.0001380200000000, -0.0002269800000000, -0.0001605300000000 ] - [ -0.0030472600000000, -0.0000726500000000, 0.0012506400000000 ] - [ 0.0006485500000000, -0.0005727000000000, 0.0004898800000000 ] - [ 0.0003780300000000, 0.0013116000000000, 0.0001455200000000 ] - [ 0.0004118500000000, -0.0000983300000000, -0.0001979600000000 ] - [ -0.0001589500000000, 0.0003916100000000, -0.0003978400000000 ] - [ 0.0001648700000000, 0.0003853200000000, -0.0002264900000000 ] - [ -0.0010473300000000, 0.0029922100000000, -0.0000359800000000 ] - [ 0.0003962100000000, 0.0008265500000000, 0.0003099400000000 ] - [ 0.0000040400000000, -0.0019917800000000, -0.0010429800000000 ] - [ -0.0004509000000000, -0.0007762000000000, -0.0000423500000000 ] - [ 0.0002817200000000, 0.0013503700000000, 0.0003043300000000 ] - [ -0.0002563600000000, 0.0007718700000000, 0.0001556700000000 ] - [ -0.0002312500000000, 0.0017013500000000, -0.0002849500000000 ] - [ 0.0002277300000000, 0.0015670900000000, -0.0002584200000000 ] - [ 0.0008194100000000, 0.0007388200000000, 0.0004726500000000 ] - [ -0.0013548400000000, 0.0004666800000000, -0.0000381300000000 ] - [ 0.0006602500000000, 0.0008495500000000, -0.0000253600000000 ] - [ 0.0004378500000000, 0.0009684300000000, -0.0000681900000000 ] - [ -0.0205403600000000, -0.0234227300000000, -0.0001167400000000 ] - [ -0.0005718900000000, -0.0010701100000000, 0.0000032100000000 ] - [ -0.0011008400000000, 0.0026930600000000, 0.0003583200000000 ] - [ 0.0006260000000000, 0.0003496900000000, 0.0007349600000000 ] - [ 0.0016460000000000, 0.0000907200000000, 0.0023796600000000 ] - [ -0.0003076300000000, -0.0003672500000000, -0.0002140800000000 ] - [ -0.0012603000000000, 0.0009615300000000, -0.0006481200000000 ] - [ 0.0016266900000000, 0.0013643200000000, -0.0002243100000000 ] - [ 0.0007507400000000, 0.0007191700000000, 0.0007019500000000 ] - [ 0.0000964400000000, 0.0001414900000000, 0.0004226900000000 ]- atom: 33 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0003268600000000, 0.0004805300000000, -0.0002357500000000 ] - [ -0.0000972200000000, 0.0002791200000000, -0.0006106400000000 ] - [ 0.0001044500000000, 0.0003519700000000, -0.0001252300000000 ] - [ 0.0001080300000000, 0.0003347100000000, -0.0001121200000000 ] - [ 0.0002316000000000, 0.0003792400000000, -0.0000854100000000 ] - [ -0.0000541300000000, 0.0007403800000000, 0.0002384700000000 ] - [ 0.0046509000000000, 0.0127265000000000, 0.0055448900000000 ] - [ -0.0001419700000000, 0.0002714100000000, 0.0005141500000000 ] - [ -0.0006526900000000, -0.0002706500000000, 0.0003572900000000 ] - [ -0.0004663100000000, -0.0000051900000000, 0.0002240800000000 ] - [ -0.0034320400000000, -0.0114641200000000, 0.0013729800000000 ] - [ 0.0006027700000000, -0.0000070100000000, -0.0004192700000000 ] - [ 0.0019033600000000, -0.0071350100000000, 0.0014981300000000 ] - [ -0.0000551100000000, 0.0007686800000000, 0.0001740300000000 ] - [ 0.0002485500000000, 0.0003668400000000, -0.0003591900000000 ] - [ 0.0002128900000000, 0.0002447700000000, -0.0001990400000000 ] - [ 0.0036231700000000, 0.0011741800000000, 0.0010366800000000 ] - [ -0.0002766700000000, 0.0004020100000000, 0.0032343900000000 ] - [ -0.0046673700000000, 0.0006967200000000, -0.0002060600000000 ] - [ 0.0001169200000000, 0.0008119600000000, -0.0034036200000000 ] - [ -0.0015831000000000, 0.0044947500000000, 0.0008764900000000 ] - [ 0.0001362700000000, 0.0002737600000000, 0.0001044500000000 ] - [ 0.0001542700000000, 0.0004338000000000, 0.0002480400000000 ] - [ 0.0001927300000000, 0.0004761700000000, 0.0002525100000000 ] - [ -0.0003308100000000, 0.0000180600000000, -0.0025224000000000 ] - [ -0.0005262700000000, -0.0001295400000000, -0.0001513600000000 ] - [ 0.0005961800000000, -0.0002572300000000, -0.0001604400000000 ] - [ 0.0004668700000000, -0.0003864700000000, 0.0001736500000000 ] - [ -0.0007452100000000, -0.0010204100000000, 0.0018693100000000 ] - [ 0.0001224400000000, -0.0004430000000000, 0.0001234500000000 ] - [ 0.0002617000000000, -0.0007184600000000, 0.0001142200000000 ] - [ 0.0004191600000000, -0.0007078100000000, -0.0001297000000000 ] - [ 0.0306604800000000, 0.0083976500000000, -0.1122243600000000 ] - [ 0.0004946000000000, -0.0006540500000000, 0.0003589000000000 ] - [ -0.0008650100000000, -0.0001309800000000, 0.0005661200000000 ] - [ -0.0008466500000000, -0.0000924600000000, 0.0005344000000000 ] - [ -0.0001076900000000, -0.0015414700000000, -0.0027123300000000 ] - [ -0.0009204800000000, -0.0001151500000000, -0.0002017400000000 ] - [ 0.0001487400000000, -0.0003785300000000, 0.0002400100000000 ] - [ 0.0003570800000000, -0.0003508000000000, -0.0000493100000000 ] - [ -0.0082128800000000, 0.0009035700000000, 0.0225943300000000 ] - [ 0.0011027900000000, -0.0000613400000000, -0.0004582900000000 ] - [ 0.0002091200000000, 0.0000069700000000, -0.0001448200000000 ] - [ 0.0001163700000000, 0.0000271300000000, 0.0000947100000000 ] - [ -0.0007428100000000, -0.0002532700000000, 0.0018163500000000 ] - [ 0.0002365500000000, -0.0005849600000000, 0.0002188800000000 ] - [ -0.0006886500000000, -0.0007319100000000, -0.0003915300000000 ] - [ -0.0007091200000000, -0.0007062300000000, -0.0003569300000000 ] - [ -0.0005581100000000, 0.0000394500000000, -0.0000180300000000 ] - [ -0.0005478200000000, 0.0000358300000000, -0.0000748200000000 ] - [ -0.0032203700000000, 0.0014864600000000, 0.0096982300000000 ] - [ -0.0000655900000000, -0.0000098600000000, 0.0001515600000000 ] - [ 0.0000904500000000, 0.0002454200000000, -0.0002209900000000 ] - [ -0.0006084900000000, -0.0004652800000000, -0.0002922100000000 ] - [ 0.0017402700000000, -0.0004221100000000, -0.0047079300000000 ] - [ -0.0002568700000000, -0.0007606900000000, 0.0003731200000000 ] - [ -0.0001366400000000, -0.0002696400000000, -0.0003625300000000 ] - [ -0.0002818900000000, -0.0000430300000000, -0.0001435100000000 ] - [ -0.0004521200000000, 0.0011414700000000, -0.0005979300000000 ] - [ 0.0003345400000000, -0.0001402500000000, -0.0008385800000000 ] - [ -0.0026291200000000, -0.0015581300000000, 0.0256064500000000 ] - [ -0.0000723400000000, -0.0003691500000000, -0.0000369400000000 ] - [ -0.0000888100000000, 0.0000833200000000, 0.0001543900000000 ] - [ -0.0001120900000000, 0.0001602400000000, 0.0001781800000000 ] - [ -0.0011035700000000, -0.0006891800000000, 0.0014488600000000 ] - [ 0.0000854700000000, -0.0006034700000000, -0.0004454600000000 ] - [ 0.0012057000000000, 0.0002045300000000, 0.0009574300000000 ] - [ 0.0014165800000000, -0.0003999400000000, 0.0001047700000000 ] - [ 0.0001550000000000, 0.0000008500000000, -0.0000763300000000 ] - [ 0.0001768700000000, -0.0000239300000000, -0.0001270700000000 ] - [ -0.0003898600000000, 0.0002040500000000, 0.0002654000000000 ] - [ -0.0003816000000000, 0.0001798000000000, 0.0002414700000000 ] - [ 0.0001408400000000, 0.0002624400000000, 0.0000951000000000 ] - [ 0.0001175600000000, 0.0002190900000000, 0.0001334000000000 ] - [ -0.0001591100000000, 0.0001576200000000, -0.0006943000000000 ] - [ -0.0003557200000000, 0.0000971200000000, -0.0004473600000000 ] - [ 0.0003211600000000, -0.0000635500000000, -0.0001864400000000 ] - [ 0.0003507800000000, -0.0000906000000000, -0.0002360700000000 ] - [ 0.0000602800000000, -0.0003151500000000, 0.0000052600000000 ] - [ 0.0000650700000000, -0.0003349300000000, -0.0000093500000000 ] - [ 0.0021767800000000, -0.0002461300000000, -0.0054584000000000 ] - [ -0.0006661300000000, 0.0000853700000000, -0.0000088200000000 ] - [ -0.0034164200000000, -0.0030685700000000, 0.0381697700000000 ] - [ -0.0007148100000000, -0.0003135900000000, 0.0002731800000000 ] - [ 0.0021756300000000, -0.0004334800000000, -0.0048982700000000 ] - [ -0.0002046900000000, 0.0000630700000000, -0.0000572000000000 ] - [ 0.0004123800000000, -0.0006043700000000, 0.0004041500000000 ] - [ 0.0004319600000000, -0.0006171400000000, 0.0003634500000000 ] - [ -0.0001426500000000, 0.0005477800000000, -0.0010457800000000 ] - [ -0.0012513600000000, 0.0002022300000000, -0.0003718600000000 ] - [ 0.0001319900000000, 0.0001800100000000, -0.0007576700000000 ] - [ -0.0014179500000000, 0.0008900700000000, -0.0003677400000000 ] - [ -0.0007630800000000, 0.0006744000000000, 0.0000578500000000 ] - [ -0.0006733700000000, 0.0001845000000000, 0.0000492200000000 ] - [ -0.0000327500000000, 0.0003664400000000, -0.0005367300000000 ] - [ -0.0001477600000000, 0.0001661300000000, 0.0000194800000000 ] - [ 0.0012297700000000, 0.0008567500000000, -0.0002848200000000 ] - [ 0.0006096800000000, 0.0001578000000000, 0.0001564400000000 ] - [ -0.0002314700000000, 0.0001207200000000, 0.0006559000000000 ] - [ -0.0003144400000000, -0.0001269300000000, 0.0006463300000000 ] - [ 0.0000499000000000, 0.0000871100000000, 0.0000133800000000 ] - [ 0.0000200600000000, 0.0000974000000000, 0.0000558600000000 ] - [ 0.0001170000000000, 0.0005861900000000, 0.0001246200000000 ] - [ 0.0000995100000000, 0.0005534500000000, 0.0001625700000000 ] - [ -0.0033294900000000, -0.0008084300000000, 0.0097526400000000 ] - [ 0.0006296400000000, -0.0000152800000000, -0.0001323600000000 ] - [ -0.0005615200000000, 0.0000485000000000, 0.0001150600000000 ] - [ -0.0000487900000000, 0.0000207500000000, -0.0006725900000000 ] - [ 0.0008122300000000, -0.0004160500000000, -0.0014530000000000 ] - [ 0.0001479200000000, -0.0001965800000000, 0.0001228800000000 ] - [ -0.0040775800000000, 0.0024203100000000, 0.0094724400000000 ] - [ 0.0001694400000000, 0.0005787100000000, 0.0002198000000000 ] - [ 0.0007038600000000, -0.0002616500000000, -0.0002795600000000 ] - [ 0.0006951100000000, -0.0002887400000000, -0.0002672700000000 ] - [ -0.0002742100000000, -0.0003566500000000, 0.0011032700000000 ] - [ 0.0002242800000000, -0.0001965300000000, -0.0001164800000000 ] - [ 0.0001126900000000, -0.0010038700000000, 0.0001361200000000 ] - [ -0.0003447600000000, -0.0004517000000000, 0.0005395100000000 ] - [ 0.0003092200000000, -0.0006910900000000, -0.0002275800000000 ] - [ 0.0003575100000000, -0.0005017500000000, -0.0002110200000000 ] - [ 0.0000187100000000, -0.0005824700000000, -0.0004117600000000 ] - [ 0.0000029700000000, -0.0006317800000000, -0.0003684700000000 ] - [ -0.0002168800000000, 0.0006596700000000, 0.0007741200000000 ] - [ 0.0000761100000000, 0.0006286200000000, 0.0002790800000000 ] - [ 0.0018402600000000, 0.0002984100000000, -0.0044199200000000 ] - [ -0.0003522500000000, 0.0001543400000000, -0.0000762300000000 ] - [ 0.0001212700000000, 0.0001707000000000, 0.0002099300000000 ] - [ 0.0000375300000000, 0.0001871400000000, 0.0002577400000000 ] - [ -0.0000241400000000, 0.0005644600000000, -0.0001581500000000 ] - [ -0.0000011200000000, 0.0005744600000000, -0.0002011900000000 ] - [ -0.0002279800000000, -0.0001366900000000, 0.0003469700000000 ] - [ -0.0000284000000000, -0.0004163900000000, 0.0001266000000000 ] - [ 0.0004016700000000, -0.0000424200000000, -0.0000316900000000 ] - [ 0.0003778600000000, -0.0000514100000000, -0.0000048900000000 ] - [ -0.0113083500000000, -0.0053758200000000, 0.0080016200000000 ] - [ -0.0001662000000000, -0.0001176500000000, 0.0002898400000000 ] - [ 0.0001499200000000, -0.0002077900000000, 0.0009544200000000 ] - [ 0.0001751800000000, 0.0000879100000000, 0.0007060800000000 ] - [ -0.0010590600000000, -0.0008889800000000, -0.0002284900000000 ] - [ 0.0001501600000000, 0.0001590400000000, -0.0004555700000000 ] - [ -0.0000995400000000, 0.0006427400000000, -0.0000883500000000 ] - [ 0.0006276300000000, 0.0010059200000000, -0.0002190800000000 ] - [ 0.0004421800000000, 0.0000096800000000, -0.0002216300000000 ] - [ 0.0001897200000000, 0.0001456000000000, 0.0004531700000000 ]- atom: 33 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0000805000000000, 0.0001579100000000, -0.0002769000000000 ] - [ -0.0003120500000000, 0.0003578900000000, 0.0000996200000000 ] - [ 0.0001056900000000, 0.0003968800000000, -0.0001365000000000 ] - [ 0.0001020700000000, 0.0004135600000000, -0.0001488500000000 ] - [ -0.0001708700000000, 0.0010760900000000, -0.0000525900000000 ] - [ 0.0001173500000000, 0.0007162500000000, -0.0003778900000000 ] - [ -0.0050161500000000, -0.0120559400000000, -0.0048730100000000 ] - [ -0.0002698500000000, 0.0003182900000000, 0.0001807400000000 ] - [ -0.0003955600000000, 0.0002758700000000, 0.0003454900000000 ] - [ -0.0005833300000000, 0.0000107700000000, 0.0004801500000000 ] - [ 0.0044876200000000, 0.0115316600000000, -0.0020309300000000 ] - [ 0.0004467800000000, 0.0000117100000000, -0.0002793800000000 ] - [ -0.0019472200000000, 0.0085477000000000, -0.0013888500000000 ] - [ -0.0000096000000000, 0.0006855500000000, -0.0000293600000000 ] - [ 0.0001598600000000, 0.0002216100000000, -0.0003306000000000 ] - [ 0.0001968300000000, 0.0003435700000000, -0.0004915400000000 ] - [ -0.0038534900000000, -0.0004248500000000, -0.0007557000000000 ] - [ 0.0000897600000000, 0.0003422700000000, -0.0029598400000000 ] - [ 0.0042844500000000, 0.0003220000000000, -0.0003403200000000 ] - [ -0.0005299000000000, 0.0002173700000000, 0.0028768300000000 ] - [ 0.0019896300000000, -0.0038721000000000, -0.0003268000000000 ] - [ 0.0002731100000000, 0.0003662600000000, 0.0004118400000000 ] - [ 0.0002216300000000, 0.0005899100000000, 0.0002714400000000 ] - [ 0.0001836800000000, 0.0005470300000000, 0.0002664000000000 ] - [ 0.0000509100000000, 0.0000360900000000, 0.0023506400000000 ] - [ 0.0002221800000000, 0.0002037700000000, -0.0000295600000000 ] - [ 0.0003809700000000, -0.0004554700000000, 0.0005034000000000 ] - [ 0.0005128100000000, -0.0003222200000000, 0.0001684700000000 ] - [ -0.0000406000000000, -0.0003604600000000, -0.0016139100000000 ] - [ -0.0008916400000000, -0.0009493800000000, 0.0001337300000000 ] - [ 0.0005123100000000, -0.0006778800000000, -0.0003718400000000 ] - [ 0.0003544900000000, -0.0006849400000000, -0.0001285500000000 ] - [ -0.0291752600000000, -0.0103696200000000, 0.1135309100000000 ] - [ 0.0009103400000000, -0.0007177400000000, 0.0003611100000000 ] - [ -0.0008601300000000, -0.0000260400000000, 0.0004884700000000 ] - [ -0.0008780400000000, -0.0000639200000000, 0.0005202900000000 ] - [ -0.0008545800000000, 0.0008585000000000, 0.0023939300000000 ] - [ -0.0000582100000000, -0.0005951800000000, -0.0001290100000000 ] - [ 0.0004403400000000, -0.0002996300000000, -0.0003786300000000 ] - [ 0.0002338000000000, -0.0003316500000000, -0.0000885700000000 ] - [ 0.0099355500000000, -0.0010565300000000, -0.0236534200000000 ] - [ 0.0006229900000000, -0.0001035500000000, -0.0005983500000000 ] - [ 0.0000895400000000, 0.0000763800000000, 0.0003390800000000 ] - [ 0.0001830800000000, 0.0000510100000000, 0.0001004100000000 ] - [ 0.0001372300000000, -0.0004518300000000, -0.0016702000000000 ] - [ -0.0008304000000000, -0.0001036500000000, -0.0000680800000000 ] - [ -0.0007188800000000, -0.0006384200000000, -0.0003331100000000 ] - [ -0.0006980000000000, -0.0006642700000000, -0.0003665700000000 ] - [ -0.0005613600000000, 0.0000268100000000, -0.0001427800000000 ] - [ -0.0005722400000000, 0.0000297200000000, -0.0000860600000000 ] - [ 0.0029284300000000, -0.0016073400000000, -0.0094599600000000 ] - [ -0.0002710600000000, -0.0000220000000000, 0.0001076000000000 ] - [ 0.0001414300000000, 0.0001276000000000, 0.0002029400000000 ] - [ 0.0008338600000000, 0.0008362300000000, 0.0002739600000000 ] - [ -0.0017877800000000, -0.0007825000000000, 0.0054650000000000 ] - [ 0.0002269900000000, -0.0004615400000000, 0.0003781400000000 ] - [ -0.0002544500000000, -0.0001635600000000, 0.0001180800000000 ] - [ -0.0001107000000000, -0.0003914100000000, -0.0001007400000000 ] - [ 0.0010832800000000, -0.0014015900000000, -0.0006885500000000 ] - [ 0.0002893500000000, -0.0001155400000000, -0.0004378800000000 ] - [ 0.0024247100000000, 0.0007986600000000, -0.0230907300000000 ] - [ -0.0000559500000000, -0.0003276500000000, 0.0000415600000000 ] - [ -0.0001180300000000, 0.0002121500000000, 0.0001877900000000 ] - [ -0.0000949500000000, 0.0001351600000000, 0.0001621500000000 ] - [ 0.0002337100000000, -0.0005781800000000, -0.0021772700000000 ] - [ -0.0009405600000000, -0.0006665900000000, -0.0002829300000000 ] - [ -0.0000986800000000, -0.0001417200000000, -0.0007978200000000 ] - [ -0.0002966100000000, 0.0004682500000000, 0.0000490500000000 ] - [ 0.0001801800000000, -0.0000336500000000, -0.0001782800000000 ] - [ 0.0001583600000000, -0.0000079300000000, -0.0001276500000000 ] - [ -0.0003957200000000, 0.0001462600000000, 0.0002073100000000 ] - [ -0.0004038400000000, 0.0001705800000000, 0.0002311500000000 ] - [ 0.0001234400000000, 0.0001589300000000, 0.0001762400000000 ] - [ 0.0001461900000000, 0.0002026300000000, 0.0001376000000000 ] - [ -0.0003178400000000, 0.0001310300000000, -0.0002049900000000 ] - [ -0.0001237200000000, 0.0001939100000000, -0.0004525900000000 ] - [ 0.0003749800000000, -0.0001473900000000, -0.0002860400000000 ] - [ 0.0003445700000000, -0.0001206800000000, -0.0002363800000000 ] - [ 0.0000676900000000, -0.0003818000000000, -0.0000049600000000 ] - [ 0.0000620600000000, -0.0003620700000000, 0.0000098600000000 ] - [ -0.0029637100000000, 0.0000945400000000, 0.0054894600000000 ] - [ -0.0001050400000000, -0.0002264800000000, 0.0000322900000000 ] - [ 0.0022027400000000, 0.0029327100000000, -0.0409311800000000 ] - [ -0.0006874100000000, -0.0002805100000000, 0.0002923000000000 ] - [ -0.0022305800000000, 0.0005691200000000, 0.0047818300000000 ] - [ 0.0001354000000000, 0.0000908900000000, -0.0000472300000000 ] - [ 0.0004431200000000, -0.0006645400000000, 0.0003199100000000 ] - [ 0.0004233800000000, -0.0006512900000000, 0.0003604800000000 ] - [ -0.0000648500000000, 0.0005416300000000, 0.0007359700000000 ] - [ 0.0010297500000000, 0.0008864500000000, 0.0000663000000000 ] - [ -0.0002896400000000, 0.0001295000000000, 0.0002394100000000 ] - [ 0.0012473400000000, -0.0005779800000000, -0.0001435200000000 ] - [ -0.0005651800000000, -0.0003274800000000, 0.0000560600000000 ] - [ -0.0006569900000000, 0.0001642000000000, 0.0000667000000000 ] - [ -0.0002001100000000, 0.0000102900000000, 0.0005580400000000 ] - [ -0.0000847100000000, 0.0002085200000000, 0.0000030900000000 ] - [ 0.0000959500000000, -0.0005109000000000, 0.0001854400000000 ] - [ 0.0007193900000000, 0.0001903600000000, -0.0002672400000000 ] - [ -0.0003949700000000, -0.0003758300000000, 0.0006274300000000 ] - [ -0.0003117900000000, -0.0001286000000000, 0.0006345800000000 ] - [ 0.0000179600000000, 0.0000665300000000, 0.0000968300000000 ] - [ 0.0000470200000000, 0.0000553000000000, 0.0000543200000000 ] - [ 0.0000946300000000, 0.0005044200000000, 0.0001924500000000 ] - [ 0.0001121500000000, 0.0005370100000000, 0.0001546300000000 ] - [ 0.0039914100000000, 0.0010837300000000, -0.0102275500000000 ] - [ 0.0001546300000000, 0.0003654700000000, -0.0003350700000000 ] - [ 0.0003593000000000, 0.0000043300000000, -0.0014652800000000 ] - [ -0.0001534400000000, 0.0000447000000000, -0.0006753800000000 ] - [ -0.0004205200000000, -0.0000259300000000, 0.0017013200000000 ] - [ 0.0002430300000000, -0.0002388500000000, 0.0001267200000000 ] - [ 0.0039632600000000, -0.0011234300000000, -0.0090403500000000 ] - [ -0.0001340900000000, 0.0005187400000000, 0.0002051100000000 ] - [ 0.0006966300000000, -0.0003325700000000, -0.0002808400000000 ] - [ 0.0007050100000000, -0.0003053100000000, -0.0002935900000000 ] - [ 0.0006716600000000, -0.0000393900000000, -0.0013274500000000 ] - [ 0.0001698700000000, -0.0002047600000000, -0.0001096200000000 ] - [ -0.0008241400000000, -0.0000352100000000, 0.0003135700000000 ] - [ -0.0003605600000000, -0.0005838600000000, -0.0000975800000000 ] - [ 0.0003979300000000, -0.0003466600000000, -0.0002101300000000 ] - [ 0.0003489400000000, -0.0005362600000000, -0.0002244900000000 ] - [ 0.0000117900000000, -0.0006404600000000, -0.0003355900000000 ] - [ 0.0000270000000000, -0.0005913300000000, -0.0003787600000000 ] - [ 0.0002574600000000, 0.0005603600000000, -0.0002106800000000 ] - [ -0.0000357600000000, 0.0005949300000000, 0.0002827500000000 ] - [ -0.0020792900000000, 0.0001362600000000, 0.0041534700000000 ] - [ 0.0000890500000000, 0.0002668700000000, -0.0001876700000000 ] - [ 0.0000392500000000, 0.0001362700000000, 0.0003157900000000 ] - [ 0.0001229000000000, 0.0001209700000000, 0.0002679000000000 ] - [ -0.0000133400000000, 0.0005336300000000, -0.0002603900000000 ] - [ -0.0000361500000000, 0.0005229100000000, -0.0002176000000000 ] - [ -0.0001692500000000, -0.0002660800000000, -0.0001167700000000 ] - [ -0.0003678700000000, 0.0000152700000000, 0.0001033900000000 ] - [ 0.0003695400000000, -0.0000981500000000, 0.0000124400000000 ] - [ 0.0003931300000000, -0.0000895400000000, -0.0000141900000000 ] - [ 0.0107051200000000, 0.0052153200000000, -0.0076196900000000 ] - [ -0.0005294800000000, -0.0000941700000000, 0.0001852800000000 ] - [ 0.0000488200000000, 0.0002802800000000, 0.0003975100000000 ] - [ 0.0000256100000000, -0.0000223500000000, 0.0006467000000000 ] - [ 0.0012748100000000, 0.0011910400000000, -0.0001174300000000 ] - [ 0.0000536200000000, 0.0001384200000000, 0.0001193000000000 ] - [ 0.0000557000000000, 0.0005822300000000, -0.0004690900000000 ] - [ -0.0006716400000000, 0.0002174200000000, -0.0003403500000000 ] - [ 0.0000337500000000, 0.0002876200000000, 0.0011268900000000 ] - [ 0.0002860400000000, 0.0001442600000000, 0.0004521500000000 ]- atom: 35 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0041668900000000, 0.0040476400000000, 0.0017662700000000 ] - [ 0.0018257000000000, -0.0006372500000000, 0.0002459300000000 ] - [ 0.0081003900000000, 0.0000706800000000, -0.0026016500000000 ] - [ 0.0150837200000000, 0.0038633800000000, 0.0042652800000000 ] - [ -0.0033444100000000, 0.0068902300000000, -0.0047811000000000 ] - [ 0.0027432800000000, -0.0002613300000000, 0.0006853600000000 ] - [ -0.0001351300000000, -0.0007937300000000, 0.0001917800000000 ] - [ 0.0001851800000000, 0.0013524300000000, 0.0004823700000000 ] - [ -0.0091628800000000, -0.0016679800000000, 0.0013090600000000 ] - [ 0.0015552100000000, 0.0004720800000000, 0.0009062200000000 ] - [ 0.0002617800000000, -0.0013838900000000, -0.0002300400000000 ] - [ 0.0011011700000000, 0.0008741200000000, -0.0002154000000000 ] - [ 0.0000989600000000, 0.0019724000000000, -0.0001485400000000 ] - [ 0.0003985600000000, -0.0003570400000000, 0.0002730100000000 ] - [ -0.0014121100000000, -0.0103166700000000, -0.0076775800000000 ] - [ 0.0030532100000000, 0.0012562500000000, 0.0003974200000000 ] - [ -0.0006574200000000, 0.0003890700000000, -0.0000247100000000 ] - [ 0.0004694900000000, 0.0003873400000000, 0.0002861600000000 ] - [ -0.0008115300000000, 0.0006025100000000, -0.0004210700000000 ] - [ 0.0004244500000000, 0.0004762800000000, -0.0000959800000000 ] - [ 0.0005189000000000, 0.0016346200000000, 0.0005961500000000 ] - [ 0.0004509300000000, -0.0007467800000000, 0.0002300500000000 ] - [ 0.0046379100000000, 0.0012878700000000, 0.0077336400000000 ] - [ 0.0020463900000000, 0.0007245100000000, 0.0004403800000000 ] - [ -0.0014818900000000, 0.0002391000000000, -0.0004003300000000 ] - [ 0.0008269500000000, -0.0000481700000000, 0.0001575600000000 ] - [ -0.0004639900000000, -0.0022429100000000, -0.0008347100000000 ] - [ 0.0023928600000000, 0.0008950400000000, 0.0012483600000000 ] - [ -0.0020448400000000, -0.0006712000000000, -0.0002850200000000 ] - [ 0.0006069700000000, -0.0007813200000000, 0.0003984100000000 ] - [ 0.0029752100000000, 0.0062036600000000, 0.0008067300000000 ] - [ 0.0026495500000000, -0.0021827300000000, 0.0000867400000000 ] - [ 0.0002820600000000, -0.0006930300000000, 0.0002449300000000 ] - [ 0.0011215600000000, -0.0006632500000000, 0.0004864200000000 ] - [ -0.1311234100000000, 0.0062106100000000, -0.0042117600000000 ] - [ 0.0020209400000000, -0.0001204200000000, 0.0010527200000000 ] - [ -0.0018004200000000, -0.0005537700000000, -0.0005589400000000 ] - [ 0.0004827400000000, -0.0002998800000000, 0.0001276800000000 ] - [ 0.0025403000000000, -0.0106866700000000, 0.0003317600000000 ] - [ 0.0026184900000000, 0.0010322300000000, 0.0000016600000000 ] - [ 0.0004246700000000, -0.0000759300000000, -0.0006442500000000 ] - [ 0.0013099100000000, -0.0000645000000000, -0.0004249800000000 ] - [ -0.0006836900000000, 0.0016517300000000, -0.0005265200000000 ] - [ 0.0020803800000000, -0.0014794200000000, 0.0010349600000000 ] - [ -0.0018499400000000, -0.0003723100000000, -0.0003115300000000 ] - [ 0.0006687200000000, -0.0002849200000000, 0.0002942100000000 ] - [ -0.0048542200000000, -0.0009933800000000, -0.0108720200000000 ] - [ 0.0020018400000000, -0.0007851000000000, 0.0006014600000000 ] - [ -0.0013575300000000, 0.0010652800000000, -0.0002336700000000 ] - [ -0.0013362800000000, -0.0013160300000000, -0.0019505400000000 ] - [ 0.0002772700000000, 0.0001040100000000, 0.0002501700000000 ] - [ -0.0005726300000000, -0.0001118000000000, -0.0000054800000000 ] - [ 0.0007033900000000, -0.0013257100000000, 0.0000611500000000 ] - [ -0.0004821400000000, 0.0005586200000000, -0.0001101600000000 ] - [ -0.0000457900000000, -0.0009257400000000, 0.0003823500000000 ] - [ -0.0000631900000000, -0.0003438500000000, 0.0003530700000000 ] - [ 0.0019615100000000, 0.0010796300000000, 0.0000305200000000 ] - [ -0.0008551100000000, -0.0005487200000000, -0.0001136500000000 ] - [ 0.0012373300000000, -0.0002779100000000, -0.0004558500000000 ] - [ -0.0002449100000000, -0.0000467200000000, -0.0007896300000000 ] - [ 0.0000867500000000, -0.0003210000000000, 0.0000554000000000 ] - [ -0.0002267800000000, -0.0003965200000000, -0.0000431300000000 ] - [ -0.0013830300000000, 0.0027796700000000, 0.0023835900000000 ] - [ -0.0016417700000000, -0.0013264700000000, -0.0003125900000000 ] - [ -0.0001486400000000, -0.0007208700000000, -0.0002909300000000 ] - [ -0.0006927300000000, -0.0006123500000000, -0.0004428300000000 ] - [ 0.0008651000000000, 0.0002627700000000, 0.0001870600000000 ] - [ 0.0002033400000000, -0.0001433600000000, -0.0000412900000000 ] - [ 0.0023263400000000, -0.0000635000000000, 0.0021319700000000 ] - [ -0.0012754000000000, -0.0000247900000000, -0.0006998800000000 ] - [ 0.0009038900000000, 0.0005269200000000, 0.0021124700000000 ] - [ -0.0022527100000000, -0.0004898900000000, -0.0005586100000000 ] - [ 0.0351438700000000, -0.0171589100000000, 0.0136832600000000 ] - [ -0.0016112900000000, 0.0001719400000000, -0.0001211200000000 ] - [ 0.0030181400000000, 0.0016158100000000, 0.0004799400000000 ] - [ -0.0013182000000000, -0.0000617900000000, -0.0006885500000000 ] - [ 0.0027059800000000, -0.0001565200000000, 0.0008197300000000 ] - [ -0.0012139300000000, -0.0001510700000000, -0.0007686100000000 ] - [ 0.0141661800000000, 0.0001479400000000, -0.0066290100000000 ] - [ -0.0012161300000000, -0.0002875900000000, -0.0003494300000000 ] - [ -0.0004715900000000, 0.0001793900000000, 0.0000104800000000 ] - [ -0.0003713500000000, -0.0002879600000000, 0.0000268300000000 ] - [ -0.0004536400000000, -0.0002236300000000, 0.0003358700000000 ] - [ -0.0009275500000000, -0.0003594800000000, 0.0002185300000000 ] - [ 0.0004293400000000, 0.0002319800000000, 0.0000703600000000 ] - [ -0.0004511400000000, 0.0000034500000000, -0.0001442300000000 ] - [ 0.0003120900000000, -0.0016446300000000, 0.0006163600000000 ] - [ -0.0011184900000000, 0.0004186900000000, -0.0017962400000000 ] - [ 0.0002026000000000, 0.0003130200000000, -0.0000757200000000 ] - [ -0.0004077000000000, 0.0006410300000000, -0.0002296300000000 ] - [ 0.0002365400000000, 0.0003693700000000, -0.0001971000000000 ] - [ -0.0004472600000000, 0.0000028800000000, -0.0003369000000000 ] - [ 0.0000299900000000, 0.0026695000000000, -0.0015236700000000 ] - [ -0.0014692900000000, -0.0003598900000000, -0.0001226400000000 ] - [ -0.0006807200000000, -0.0008684700000000, -0.0000976000000000 ] - [ -0.0006841800000000, 0.0014102000000000, 0.0000006500000000 ] - [ 0.0014130200000000, 0.0003314500000000, 0.0002114700000000 ] - [ 0.0001685100000000, 0.0001231300000000, -0.0001937400000000 ] - [ -0.0004456000000000, -0.0020681900000000, 0.0019690500000000 ] - [ -0.0013631500000000, 0.0004196900000000, 0.0003309900000000 ] - [ 0.0142256700000000, 0.0087546400000000, 0.0031468000000000 ] - [ -0.0014864300000000, 0.0000562600000000, -0.0001741900000000 ] - [ -0.0033468200000000, -0.0015029000000000, -0.0008713500000000 ] - [ -0.0024161700000000, 0.0019049900000000, 0.0013395200000000 ] - [ 0.0002936300000000, 0.0003925300000000, -0.0002796600000000 ] - [ 0.0004417700000000, -0.0000346400000000, -0.0002341300000000 ] - [ 0.0005869500000000, -0.0005649900000000, -0.0004739500000000 ] - [ -0.0007440600000000, 0.0003894300000000, -0.0008536500000000 ] - [ 0.0000224600000000, 0.0012306500000000, 0.0000736300000000 ] - [ -0.0001715000000000, -0.0009762600000000, 0.0001302500000000 ] - [ 0.0000623300000000, 0.0002634900000000, 0.0002058100000000 ] - [ -0.0000627600000000, 0.0008185300000000, 0.0001982900000000 ] - [ 0.0167262400000000, 0.0005637900000000, -0.0113813500000000 ] - [ -0.0006601300000000, -0.0001603700000000, -0.0006530800000000 ] - [ -0.0000922100000000, 0.0006880300000000, -0.0001496900000000 ] - [ -0.0001216200000000, -0.0010154400000000, -0.0003241100000000 ] - [ 0.0003415900000000, -0.0009594500000000, 0.0004438200000000 ] - [ -0.0007867000000000, -0.0003387900000000, 0.0001093400000000 ] - [ 0.0002290900000000, -0.0020515500000000, -0.0013146900000000 ] - [ -0.0002267000000000, 0.0001863600000000, -0.0002926500000000 ] - [ 0.0190618400000000, 0.0107698100000000, 0.0034542500000000 ] - [ -0.0016609600000000, -0.0003173100000000, -0.0006586500000000 ] - [ -0.0004478400000000, 0.0000192600000000, 0.0001565000000000 ] - [ 0.0000277700000000, 0.0016833400000000, -0.0000682500000000 ] - [ 0.0003012200000000, 0.0001720600000000, 0.0000196100000000 ] - [ -0.0005068100000000, 0.0002059400000000, -0.0002584900000000 ] - [ -0.0033897000000000, 0.0017838700000000, -0.0005914000000000 ] - [ -0.0017453600000000, -0.0014053800000000, 0.0014047000000000 ] - [ 0.0013089000000000, 0.0004619800000000, 0.0017323700000000 ] - [ -0.0013283700000000, 0.0007259700000000, -0.0007078700000000 ] - [ 0.0002490600000000, 0.0008147000000000, 0.0008370000000000 ] - [ -0.0007851600000000, -0.0005118900000000, -0.0001895500000000 ] - [ 0.0237251400000000, -0.0080699400000000, 0.0054893600000000 ] - [ -0.0014562100000000, -0.0006921900000000, -0.0001490800000000 ] - [ 0.0000729900000000, -0.0001219600000000, 0.0003189400000000 ] - [ -0.0007345400000000, -0.0001054700000000, 0.0001593200000000 ] - [ 0.0019213200000000, 0.0004957100000000, 0.0013381600000000 ] - [ -0.0009375000000000, -0.0001774700000000, 0.0003391600000000 ] - [ 0.0006378800000000, 0.0001628800000000, -0.0000544500000000 ] - [ -0.0002898800000000, 0.0001668300000000, -0.0002689500000000 ] - [ 0.0002365600000000, -0.0002748800000000, -0.0001707700000000 ] - [ -0.0005923400000000, 0.0009700800000000, -0.0004871000000000 ] - [ 0.0008320600000000, -0.0010977400000000, 0.0006137400000000 ] - [ -0.0004416200000000, 0.0005242400000000, 0.0002810900000000 ]- atom: 35 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0037705500000000, -0.0033895200000000, -0.0022657700000000 ] - [ -0.0022323500000000, 0.0012730500000000, -0.0007592300000000 ] - [ -0.0078356700000000, 0.0006653300000000, 0.0023151200000000 ] - [ -0.0150106700000000, -0.0031442300000000, -0.0045876000000000 ] - [ 0.0034324400000000, -0.0054275700000000, 0.0046357300000000 ] - [ -0.0026790200000000, 0.0017122900000000, -0.0008266000000000 ] - [ -0.0002757300000000, 0.0013818300000000, 0.0005013300000000 ] - [ -0.0005896900000000, -0.0007618100000000, 0.0002117300000000 ] - [ 0.0081327400000000, 0.0016272700000000, -0.0005746800000000 ] - [ -0.0026021200000000, -0.0004624000000000, -0.0002045200000000 ] - [ 0.0007852700000000, 0.0013885200000000, -0.0004723100000000 ] - [ -0.0000477200000000, -0.0008699800000000, -0.0004846100000000 ] - [ -0.0001637400000000, -0.0005162400000000, 0.0002908500000000 ] - [ -0.0004551700000000, 0.0018127600000000, -0.0001290700000000 ] - [ 0.0018631000000000, 0.0109390100000000, 0.0070140500000000 ] - [ -0.0026358500000000, -0.0006577700000000, -0.0010872700000000 ] - [ 0.0004492700000000, 0.0003591500000000, 0.0002887900000000 ] - [ -0.0006798800000000, 0.0003619200000000, -0.0000223600000000 ] - [ 0.0004369600000000, 0.0004201600000000, -0.0000943900000000 ] - [ -0.0008002100000000, 0.0005468100000000, -0.0004203200000000 ] - [ -0.0001140900000000, -0.0009939100000000, -0.0000841600000000 ] - [ -0.0000370800000000, 0.0013874300000000, 0.0002851200000000 ] - [ -0.0042624700000000, -0.0002752900000000, -0.0071867000000000 ] - [ -0.0016604400000000, 0.0002990600000000, 0.0000843000000000 ] - [ 0.0011796100000000, -0.0001602600000000, 0.0002176800000000 ] - [ -0.0011273700000000, 0.0001226600000000, -0.0003405900000000 ] - [ 0.0014357400000000, 0.0015336500000000, 0.0011681600000000 ] - [ -0.0014116200000000, -0.0016095600000000, -0.0009051200000000 ] - [ 0.0012734800000000, -0.0007180700000000, 0.0005419400000000 ] - [ -0.0013770400000000, -0.0006139000000000, -0.0001407900000000 ] - [ -0.0022298400000000, -0.0075607700000000, -0.0010589000000000 ] - [ -0.0018728200000000, 0.0007985800000000, -0.0003456700000000 ] - [ 0.0011243800000000, -0.0006769500000000, 0.0004741900000000 ] - [ 0.0002872800000000, -0.0007061800000000, 0.0002345800000000 ] - [ 0.1293620100000000, -0.0056217700000000, 0.0047597800000000 ] - [ -0.0037412200000000, -0.0000351000000000, 0.0000020300000000 ] - [ 0.0008235100000000, -0.0001604500000000, 0.0002170600000000 ] - [ -0.0014579800000000, -0.0004093900000000, -0.0004693200000000 ] - [ -0.0019516900000000, 0.0099847400000000, -0.0004533100000000 ] - [ -0.0020249400000000, -0.0017207900000000, -0.0001378700000000 ] - [ 0.0013022100000000, -0.0000877200000000, -0.0004154700000000 ] - [ 0.0004203400000000, -0.0000998800000000, -0.0006337100000000 ] - [ 0.0009768000000000, -0.0015714100000000, 0.0007104100000000 ] - [ -0.0017722600000000, 0.0015646800000000, -0.0008421700000000 ] - [ 0.0012560900000000, -0.0003224200000000, 0.0004608300000000 ] - [ -0.0012622600000000, -0.0004017100000000, -0.0001444600000000 ] - [ 0.0034475700000000, -0.0003731800000000, 0.0101491700000000 ] - [ -0.0034036700000000, -0.0005848300000000, -0.0013276400000000 ] - [ 0.0002419700000000, -0.0009958800000000, 0.0000746300000000 ] - [ 0.0002127300000000, 0.0013890800000000, 0.0017912200000000 ] - [ -0.0006101300000000, -0.0001349200000000, 0.0000079700000000 ] - [ 0.0002374700000000, 0.0000816800000000, 0.0002627500000000 ] - [ -0.0004732500000000, 0.0016948000000000, -0.0000811900000000 ] - [ 0.0007152600000000, -0.0001822900000000, 0.0000905300000000 ] - [ 0.0000193700000000, -0.0002969700000000, 0.0003676500000000 ] - [ 0.0000343900000000, -0.0008785700000000, 0.0003962600000000 ] - [ -0.0023580900000000, -0.0015094600000000, -0.0002775200000000 ] - [ 0.0004637400000000, 0.0001112900000000, -0.0001336500000000 ] - [ -0.0006097000000000, 0.0000218400000000, -0.0008212700000000 ] - [ 0.0008710600000000, -0.0002069800000000, -0.0004884300000000 ] - [ -0.0002106500000000, -0.0003755200000000, -0.0000525100000000 ] - [ 0.0001013000000000, -0.0003000600000000, 0.0000456200000000 ] - [ 0.0011784700000000, -0.0024704100000000, -0.0020363300000000 ] - [ 0.0014410800000000, 0.0016285700000000, 0.0006529700000000 ] - [ -0.0007063400000000, -0.0005460900000000, -0.0004303200000000 ] - [ -0.0001618200000000, -0.0006534900000000, -0.0002781400000000 ] - [ 0.0002537800000000, -0.0001965100000000, -0.0000230500000000 ] - [ 0.0009171500000000, 0.0002084800000000, 0.0002058400000000 ] - [ -0.0019831900000000, 0.0000435200000000, -0.0023880600000000 ] - [ 0.0016114700000000, -0.0000071800000000, 0.0004427600000000 ] - [ -0.0017024400000000, -0.0001710000000000, -0.0016475700000000 ] - [ 0.0014672700000000, 0.0008409700000000, 0.0010272300000000 ] - [ -0.0333121300000000, 0.0163237300000000, -0.0124434500000000 ] - [ 0.0018783600000000, 0.0002509600000000, 0.0003891600000000 ] - [ -0.0034896400000000, -0.0013284200000000, -0.0013812200000000 ] - [ 0.0008407100000000, 0.0003543900000000, -0.0002131400000000 ] - [ -0.0019944800000000, -0.0000606800000000, -0.0012895000000000 ] - [ 0.0019107800000000, -0.0000590900000000, 0.0002944700000000 ] - [ -0.0142137000000000, -0.0008496500000000, 0.0070821000000000 ] - [ 0.0013421900000000, -0.0004087300000000, 0.0003464600000000 ] - [ -0.0002958100000000, -0.0003178900000000, 0.0000129800000000 ] - [ -0.0003977400000000, 0.0001495100000000, -0.0000035300000000 ] - [ -0.0009435300000000, -0.0003683400000000, 0.0002290300000000 ] - [ -0.0004708000000000, -0.0002324100000000, 0.0003458600000000 ] - [ -0.0004942000000000, -0.0000773500000000, -0.0001769300000000 ] - [ 0.0003837600000000, 0.0001523800000000, 0.0000371600000000 ] - [ 0.0005502300000000, 0.0003736800000000, 0.0001127000000000 ] - [ 0.0019753800000000, -0.0016925400000000, 0.0025247100000000 ] - [ -0.0004148500000000, 0.0007776700000000, -0.0002389900000000 ] - [ 0.0001963600000000, 0.0004506300000000, -0.0000853500000000 ] - [ -0.0003987300000000, -0.0000600900000000, -0.0003265900000000 ] - [ 0.0002871200000000, 0.0003046500000000, -0.0001862700000000 ] - [ -0.0013535200000000, -0.0023231900000000, 0.0016400700000000 ] - [ 0.0001416000000000, 0.0007100300000000, 0.0002361400000000 ] - [ 0.0004541200000000, 0.0012379900000000, 0.0001184900000000 ] - [ 0.0004507300000000, -0.0010367800000000, 0.0000189800000000 ] - [ -0.0000810500000000, 0.0000192500000000, -0.0003252700000000 ] - [ 0.0011613100000000, 0.0002234500000000, 0.0000803000000000 ] - [ -0.0001691500000000, 0.0018080600000000, -0.0006882400000000 ] - [ 0.0007378700000000, -0.0006769700000000, 0.0009483100000000 ] - [ -0.0141659300000000, -0.0083983200000000, -0.0029813100000000 ] - [ 0.0015549700000000, 0.0000959000000000, 0.0002820900000000 ] - [ 0.0035396200000000, 0.0025760700000000, 0.0011730800000000 ] - [ 0.0026387200000000, -0.0008244600000000, -0.0010311300000000 ] - [ 0.0004957200000000, -0.0000403900000000, -0.0001900400000000 ] - [ 0.0003454900000000, 0.0003864900000000, -0.0002364100000000 ] - [ -0.0007838400000000, 0.0006311400000000, -0.0008734400000000 ] - [ 0.0005428200000000, -0.0003250700000000, -0.0004953200000000 ] - [ 0.0003738800000000, -0.0016636500000000, 0.0001744300000000 ] - [ 0.0005636700000000, 0.0005435600000000, 0.0001183600000000 ] - [ -0.0000226100000000, 0.0008335300000000, 0.0002173000000000 ] - [ 0.0001004400000000, 0.0002792600000000, 0.0002244200000000 ] - [ -0.0152868200000000, -0.0011020100000000, 0.0104433400000000 ] - [ 0.0020612100000000, -0.0004319900000000, 0.0000904300000000 ] - [ 0.0004909700000000, -0.0010875300000000, -0.0000770400000000 ] - [ 0.0005157800000000, 0.0006147000000000, 0.0000946100000000 ] - [ -0.0010478300000000, -0.0000806100000000, -0.0000061800000000 ] - [ 0.0000796600000000, -0.0006978900000000, 0.0003286900000000 ] - [ 0.0004908500000000, 0.0010120200000000, 0.0008811800000000 ] - [ 0.0009352600000000, -0.0012265200000000, -0.0001458700000000 ] - [ -0.0194629300000000, -0.0127464500000000, -0.0044045100000000 ] - [ 0.0016894900000000, -0.0009021500000000, -0.0000908500000000 ] - [ 0.0004938100000000, 0.0012026800000000, 0.0004051900000000 ] - [ 0.0000106500000000, -0.0004590300000000, 0.0006271400000000 ] - [ -0.0005613100000000, 0.0002508300000000, -0.0002890300000000 ] - [ 0.0002458900000000, 0.0002155800000000, -0.0000110500000000 ] - [ 0.0035620900000000, -0.0014713000000000, 0.0011122100000000 ] - [ 0.0019106200000000, 0.0017242300000000, -0.0008877400000000 ] - [ -0.0013519800000000, 0.0006267000000000, -0.0021580100000000 ] - [ 0.0012920800000000, 0.0003734100000000, 0.0002863200000000 ] - [ -0.0006448900000000, -0.0012138200000000, -0.0006114800000000 ] - [ 0.0003906100000000, 0.0001079100000000, 0.0004183100000000 ] - [ -0.0241025800000000, 0.0088778500000000, -0.0060258600000000 ] - [ 0.0022237900000000, 0.0005499400000000, 0.0001283800000000 ] - [ -0.0007673300000000, -0.0000884600000000, 0.0001568800000000 ] - [ 0.0000390200000000, -0.0001058600000000, 0.0003163100000000 ] - [ -0.0017146500000000, -0.0004318100000000, 0.0000138300000000 ] - [ 0.0011401600000000, 0.0002442200000000, 0.0010113400000000 ] - [ -0.0004319500000000, 0.0001334200000000, -0.0002827600000000 ] - [ 0.0004956400000000, 0.0001269100000000, -0.0000687700000000 ] - [ -0.0002797500000000, 0.0014952400000000, -0.0003895400000000 ] - [ 0.0005524700000000, 0.0002551000000000, -0.0000718400000000 ] - [ -0.0003474800000000, 0.0013917700000000, 0.0002893600000000 ] - [ 0.0009196400000000, -0.0002360900000000, 0.0006208900000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012430300000000, 0.0061496400000000, 0.0067036000000000 ] - [ -0.0007637800000000, 0.0001220400000000, -0.0004233300000000 ] - [ -0.0016070000000000, -0.0047195400000000, 0.0005954200000000 ] - [ 0.0025711500000000, -0.0101721200000000, 0.0006464400000000 ] - [ 0.0051181800000000, 0.0067338800000000, -0.0080865400000000 ] - [ -0.0007123700000000, 0.0004259800000000, -0.0002459900000000 ] - [ -0.0009606800000000, 0.0021514800000000, 0.0004199200000000 ] - [ 0.0009210300000000, 0.0024922400000000, 0.0006311200000000 ] - [ -0.0016939300000000, 0.0082901900000000, -0.0114584700000000 ] - [ -0.0002333300000000, -0.0009112500000000, 0.0004372500000000 ] - [ -0.0003517100000000, 0.0021537200000000, -0.0009029300000000 ] - [ 0.0014067100000000, 0.0015611400000000, -0.0000593500000000 ] - [ 0.0014147400000000, 0.0029683300000000, 0.0000275100000000 ] - [ -0.0011560400000000, 0.0024928900000000, -0.0002625600000000 ] - [ -0.0106590400000000, 0.0057369300000000, 0.0091094800000000 ] - [ 0.0011673700000000, -0.0008025600000000, -0.0000934900000000 ] - [ -0.0003699600000000, 0.0031734900000000, 0.0001166400000000 ] - [ -0.0000584400000000, 0.0019031100000000, 0.0001464900000000 ] - [ -0.0003907400000000, 0.0032950700000000, -0.0003401900000000 ] - [ -0.0002030400000000, 0.0019078200000000, -0.0002498400000000 ] - [ 0.0016089600000000, 0.0022443500000000, 0.0010439800000000 ] - [ -0.0009085200000000, 0.0018552300000000, -0.0000189900000000 ] - [ -0.0010556500000000, -0.0055866700000000, -0.0016882900000000 ] - [ 0.0000332300000000, -0.0034793300000000, 0.0002488900000000 ] - [ -0.0003799900000000, 0.0023837600000000, -0.0001294900000000 ] - [ -0.0001354500000000, 0.0007937700000000, -0.0001192000000000 ] - [ -0.0008864900000000, -0.0008407400000000, 0.0000677000000000 ] - [ 0.0018021900000000, -0.0007630800000000, 0.0006922100000000 ] - [ -0.0002001700000000, 0.0032325800000000, 0.0000437600000000 ] - [ -0.0003810100000000, 0.0000031400000000, 0.0001704300000000 ] - [ 0.0105645800000000, 0.0045824600000000, 0.0017003100000000 ] - [ -0.0010354400000000, -0.0011696500000000, -0.0002726200000000 ] - [ 0.0007360600000000, 0.0012533700000000, 0.0003141300000000 ] - [ 0.0007111700000000, 0.0007440900000000, 0.0003468800000000 ] - [ 0.0051366300000000, -0.1344770200000000, 0.0082544000000000 ] - [ -0.0009042400000000, -0.0015197300000000, 0.0005238700000000 ] - [ -0.0003482300000000, 0.0019850300000000, -0.0002856100000000 ] - [ -0.0005311300000000, 0.0003431700000000, -0.0001764600000000 ] - [ -0.0066894300000000, 0.0052059100000000, -0.0018270600000000 ] - [ 0.0016123600000000, -0.0006848300000000, 0.0001289200000000 ] - [ 0.0008593400000000, 0.0020263100000000, -0.0005056800000000 ] - [ 0.0008453400000000, 0.0012867900000000, -0.0005234900000000 ] - [ 0.0020709500000000, -0.0006409100000000, 0.0005802800000000 ] - [ -0.0011625400000000, -0.0005629200000000, -0.0005170700000000 ] - [ -0.0002961900000000, 0.0035779400000000, 0.0000768700000000 ] - [ -0.0003669600000000, 0.0003246900000000, 0.0000582800000000 ] - [ -0.0005712600000000, -0.0067714400000000, -0.0013411300000000 ] - [ -0.0007747300000000, -0.0021554400000000, -0.0004034100000000 ] - [ 0.0000581300000000, 0.0008245700000000, 0.0000463500000000 ] - [ -0.0025044800000000, 0.0013467700000000, -0.0019547200000000 ] - [ 0.0001813300000000, -0.0010750700000000, 0.0002527200000000 ] - [ -0.0003258400000000, -0.0005900700000000, 0.0000552700000000 ] - [ -0.0009496800000000, -0.0022686400000000, -0.0002495700000000 ] - [ 0.0004190800000000, -0.0000653900000000, 0.0000031700000000 ] - [ -0.0002814100000000, -0.0017130200000000, 0.0003340600000000 ] - [ 0.0001525400000000, -0.0015502000000000, 0.0004464800000000 ] - [ 0.0009661000000000, -0.0038240500000000, 0.0000976000000000 ] - [ -0.0003829600000000, -0.0001613000000000, -0.0001254000000000 ] - [ 0.0004885100000000, -0.0015468800000000, -0.0001163700000000 ] - [ 0.0002666900000000, -0.0004310700000000, -0.0006556700000000 ] - [ -0.0001084300000000, -0.0014207400000000, -0.0000192600000000 ] - [ -0.0001120000000000, -0.0012815700000000, -0.0000044600000000 ] - [ 0.0024331200000000, 0.0001019400000000, -0.0012702300000000 ] - [ -0.0006148300000000, 0.0008239000000000, 0.0000998500000000 ] - [ -0.0005999800000000, -0.0020658900000000, -0.0004886300000000 ] - [ -0.0004741800000000, -0.0012969200000000, -0.0004014800000000 ] - [ 0.0007189800000000, -0.0011920900000000, 0.0001066800000000 ] - [ 0.0002481400000000, -0.0006220300000000, -0.0000266100000000 ] - [ 0.0000408500000000, 0.0015413900000000, -0.0009510700000000 ] - [ 0.0004390300000000, 0.0005443000000000, -0.0000668700000000 ] - [ 0.0003047200000000, 0.0028518400000000, 0.0011168900000000 ] - [ -0.0002039300000000, 0.0012450900000000, 0.0002053200000000 ] - [ -0.0159194700000000, 0.0214376100000000, -0.0075956500000000 ] - [ -0.0002146900000000, 0.0011103900000000, 0.0001374700000000 ] - [ 0.0005039700000000, -0.0042561300000000, -0.0003735900000000 ] - [ -0.0003776800000000, 0.0001303300000000, -0.0004962500000000 ] - [ 0.0000161700000000, 0.0020848800000000, 0.0006352000000000 ] - [ 0.0000607100000000, 0.0007899500000000, -0.0004162800000000 ] - [ -0.0000672300000000, 0.0116731200000000, -0.0003097600000000 ] - [ 0.0000439400000000, 0.0005363500000000, -0.0000188700000000 ] - [ -0.0000972700000000, -0.0010276500000000, 0.0000137700000000 ] - [ -0.0003389400000000, -0.0010567800000000, 0.0000136600000000 ] - [ -0.0007412100000000, -0.0013100800000000, 0.0002841300000000 ] - [ -0.0007677200000000, -0.0009656700000000, 0.0002609200000000 ] - [ 0.0004381200000000, -0.0013322800000000, 0.0000333100000000 ] - [ -0.0001473300000000, -0.0004850800000000, -0.0000567500000000 ] - [ -0.0004869900000000, 0.0014956000000000, 0.0002266100000000 ] - [ 0.0013876800000000, 0.0010435100000000, 0.0009713100000000 ] - [ -0.0002957900000000, -0.0010432300000000, -0.0001246100000000 ] - [ -0.0000370800000000, -0.0001262000000000, -0.0001083400000000 ] - [ 0.0002051100000000, -0.0012933200000000, -0.0001691900000000 ] - [ -0.0004293200000000, -0.0004527500000000, -0.0003422800000000 ] - [ 0.0002833000000000, -0.0008971100000000, 0.0018002400000000 ] - [ -0.0010958400000000, 0.0002876200000000, -0.0000998200000000 ] - [ -0.0013758500000000, -0.0001847400000000, -0.0002781400000000 ] - [ 0.0014464000000000, -0.0006905500000000, 0.0002597700000000 ] - [ 0.0003965000000000, -0.0015425700000000, 0.0003142500000000 ] - [ 0.0007220100000000, -0.0000953100000000, -0.0000541900000000 ] - [ -0.0030548400000000, -0.0014719600000000, 0.0025133600000000 ] - [ 0.0002968600000000, 0.0000417800000000, 0.0008113900000000 ] - [ 0.0098378800000000, 0.0337238100000000, 0.0081600300000000 ] - [ 0.0003538900000000, 0.0006867700000000, 0.0001391100000000 ] - [ -0.0025178800000000, 0.0035607600000000, -0.0004104100000000 ] - [ 0.0018846100000000, 0.0023886400000000, 0.0000702500000000 ] - [ 0.0006215400000000, -0.0006916500000000, -0.0001153700000000 ] - [ 0.0003994200000000, -0.0007929400000000, -0.0002384500000000 ] - [ -0.0004994200000000, -0.0008771800000000, -0.0007388900000000 ] - [ 0.0003600700000000, -0.0002437400000000, -0.0005391200000000 ] - [ 0.0012096900000000, -0.0014498100000000, 0.0003053900000000 ] - [ -0.0004038000000000, -0.0006930400000000, 0.0000766800000000 ] - [ -0.0000959400000000, -0.0004772700000000, 0.0001624300000000 ] - [ 0.0002352900000000, -0.0004099400000000, 0.0002469700000000 ] - [ 0.0020859300000000, 0.0111464100000000, -0.0039152500000000 ] - [ 0.0006712800000000, 0.0004138500000000, -0.0002882700000000 ] - [ 0.0008385400000000, -0.0007824200000000, 0.0001235300000000 ] - [ -0.0008309500000000, -0.0008495000000000, -0.0005092000000000 ] - [ -0.0001845200000000, -0.0022755200000000, -0.0001196400000000 ] - [ -0.0003160000000000, -0.0008958200000000, 0.0002326100000000 ] - [ -0.0015647400000000, -0.0012251600000000, -0.0026560600000000 ] - [ 0.0008672000000000, -0.0002074000000000, -0.0001199000000000 ] - [ 0.0101253900000000, 0.0256460300000000, 0.0041910700000000 ] - [ 0.0003036300000000, 0.0000057800000000, -0.0003469100000000 ] - [ -0.0008341900000000, 0.0004836000000000, 0.0000386300000000 ] - [ 0.0015407500000000, -0.0001991200000000, 0.0009662000000000 ] - [ -0.0002714300000000, -0.0011827300000000, -0.0001192600000000 ] - [ -0.0001752200000000, -0.0003573500000000, -0.0001204100000000 ] - [ 0.0025390600000000, 0.0004919800000000, 0.0008073700000000 ] - [ -0.0024533500000000, 0.0013958900000000, 0.0008326400000000 ] - [ 0.0001063900000000, 0.0031615600000000, -0.0007062400000000 ] - [ 0.0002701400000000, 0.0011511200000000, -0.0000722700000000 ] - [ 0.0002432700000000, -0.0018681300000000, 0.0003271900000000 ] - [ -0.0005443700000000, -0.0001835200000000, -0.0000182300000000 ] - [ -0.0085205800000000, 0.0188209000000000, -0.0044902900000000 ] - [ 0.0004451600000000, 0.0008799500000000, 0.0000663300000000 ] - [ -0.0004988200000000, -0.0013283200000000, 0.0001887200000000 ] - [ -0.0003591500000000, -0.0006782400000000, 0.0002008000000000 ] - [ 0.0006073100000000, -0.0005619600000000, 0.0006786400000000 ] - [ -0.0000596900000000, -0.0000085300000000, 0.0006404500000000 ] - [ 0.0003641700000000, -0.0013072900000000, -0.0003899500000000 ] - [ 0.0001728700000000, -0.0002762100000000, -0.0001362700000000 ] - [ -0.0008150400000000, -0.0008502400000000, -0.0004293300000000 ] - [ 0.0003258000000000, 0.0003788100000000, -0.0001343700000000 ] - [ -0.0007212200000000, -0.0022161300000000, 0.0001769900000000 ] - [ 0.0007084600000000, -0.0001646100000000, 0.0005627500000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016759000000000, -0.0055204400000000, -0.0072554300000000 ] - [ 0.0003565900000000, 0.0005246800000000, -0.0000895100000000 ] - [ 0.0017965700000000, 0.0054753800000000, -0.0008569000000000 ] - [ -0.0023158800000000, 0.0109417800000000, -0.0008982700000000 ] - [ -0.0051102700000000, -0.0053027700000000, 0.0080002300000000 ] - [ 0.0007733900000000, 0.0010371200000000, 0.0001033200000000 ] - [ 0.0005560600000000, -0.0015596000000000, 0.0002732500000000 ] - [ -0.0013348100000000, -0.0019010800000000, 0.0000612200000000 ] - [ 0.0006285300000000, -0.0082371800000000, 0.0120492800000000 ] - [ -0.0008145000000000, 0.0009132000000000, 0.0002648300000000 ] - [ 0.0014050200000000, -0.0021455900000000, 0.0002042400000000 ] - [ -0.0003615100000000, -0.0015518300000000, -0.0006437500000000 ] - [ -0.0014729800000000, -0.0015115300000000, 0.0001149600000000 ] - [ 0.0010899200000000, -0.0010380100000000, 0.0004037500000000 ] - [ 0.0109848300000000, -0.0051321000000000, -0.0097276500000000 ] - [ -0.0007566000000000, 0.0013884600000000, -0.0005995100000000 ] - [ 0.0001576300000000, -0.0024237100000000, 0.0001472700000000 ] - [ -0.0001511700000000, -0.0011529100000000, 0.0001176400000000 ] - [ 0.0000127100000000, -0.0022707300000000, -0.0001774500000000 ] - [ -0.0001727700000000, -0.0008825800000000, -0.0002668100000000 ] - [ -0.0011986600000000, -0.0016048000000000, -0.0005297300000000 ] - [ 0.0013124400000000, -0.0012161900000000, 0.0005309300000000 ] - [ 0.0014113600000000, 0.0066067100000000, 0.0021861700000000 ] - [ 0.0003534700000000, 0.0045078600000000, 0.0002698600000000 ] - [ 0.0000774200000000, -0.0023041300000000, -0.0000556400000000 ] - [ -0.0001679800000000, -0.0007132100000000, -0.0000651700000000 ] - [ 0.0018646700000000, 0.0001466000000000, 0.0002729900000000 ] - [ -0.0008263300000000, 0.0000607400000000, -0.0003469400000000 ] - [ -0.0005764700000000, -0.0046438300000000, 0.0002142100000000 ] - [ -0.0003901400000000, -0.0013910900000000, 0.0000871200000000 ] - [ -0.0097569500000000, -0.0059521600000000, -0.0019449900000000 ] - [ 0.0018093100000000, -0.0002275300000000, 0.0000113500000000 ] - [ 0.0006713000000000, -0.0026220800000000, 0.0004069800000000 ] - [ 0.0006934300000000, -0.0021126900000000, 0.0003728000000000 ] - [ -0.0066518800000000, 0.1330067500000000, -0.0076570000000000 ] - [ -0.0008197600000000, 0.0013649400000000, 0.0005285500000000 ] - [ -0.0006248100000000, -0.0026957100000000, -0.0000552500000000 ] - [ -0.0004433100000000, -0.0010561000000000, -0.0001647400000000 ] - [ 0.0073424200000000, -0.0058779800000000, 0.0017147300000000 ] - [ -0.0010203900000000, 0.0000101200000000, -0.0002704900000000 ] - [ 0.0008693900000000, -0.0021893400000000, -0.0005526100000000 ] - [ 0.0008797900000000, -0.0014492700000000, -0.0005359000000000 ] - [ -0.0017700400000000, 0.0007126400000000, -0.0003897300000000 ] - [ 0.0014645200000000, 0.0006380400000000, 0.0007090300000000 ] - [ -0.0002991800000000, -0.0042525600000000, 0.0000719300000000 ] - [ -0.0002294400000000, -0.0010120100000000, 0.0000923400000000 ] - [ -0.0008325200000000, 0.0054070500000000, 0.0006148800000000 ] - [ -0.0006318000000000, 0.0007874900000000, -0.0003245000000000 ] - [ -0.0011763200000000, -0.0007618400000000, -0.0002071900000000 ] - [ 0.0013876600000000, -0.0012851100000000, 0.0017916800000000 ] - [ -0.0005186000000000, 0.0010445000000000, 0.0000038900000000 ] - [ -0.0000090400000000, 0.0005587700000000, 0.0002020900000000 ] - [ 0.0011894400000000, 0.0026458900000000, 0.0002302500000000 ] - [ -0.0001882100000000, 0.0004399500000000, -0.0000248700000000 ] - [ 0.0002499500000000, 0.0004934200000000, 0.0004154900000000 ] - [ -0.0001815100000000, 0.0003309000000000, 0.0003036900000000 ] - [ -0.0013502000000000, 0.0033774400000000, -0.0003447300000000 ] - [ -0.0000078000000000, -0.0002689400000000, -0.0001216600000000 ] - [ 0.0001384400000000, 0.0012959500000000, -0.0011662500000000 ] - [ 0.0003599500000000, 0.0001760900000000, -0.0006224200000000 ] - [ -0.0000208900000000, 0.0007253200000000, 0.0000212900000000 ] - [ -0.0000153300000000, 0.0005865800000000, 0.0000066600000000 ] - [ -0.0026533300000000, 0.0001880600000000, 0.0016113000000000 ] - [ 0.0004069700000000, -0.0005295000000000, 0.0002373500000000 ] - [ -0.0002546000000000, 0.0007988800000000, -0.0002326700000000 ] - [ -0.0003809100000000, 0.0000289100000000, -0.0003201000000000 ] - [ 0.0004016500000000, 0.0012604500000000, 0.0000566300000000 ] - [ 0.0008706500000000, 0.0006910700000000, 0.0001893500000000 ] - [ 0.0002992000000000, -0.0015508400000000, 0.0006894000000000 ] - [ -0.0001030700000000, -0.0005728200000000, -0.0001903000000000 ] - [ -0.0010985100000000, -0.0024826900000000, -0.0006483300000000 ] - [ -0.0005773700000000, -0.0008899500000000, 0.0002658000000000 ] - [ 0.0168870600000000, -0.0212643900000000, 0.0082268000000000 ] - [ 0.0004783800000000, -0.0006877600000000, 0.0001300600000000 ] - [ -0.0009864300000000, 0.0045890200000000, -0.0005314500000000 ] - [ -0.0000996300000000, 0.0001620700000000, -0.0004070200000000 ] - [ 0.0006893100000000, -0.0023099400000000, -0.0011054200000000 ] - [ 0.0006347000000000, -0.0010003800000000, -0.0000579200000000 ] - [ 0.0002847500000000, -0.0123599600000000, 0.0001412700000000 ] - [ 0.0000848300000000, -0.0012308700000000, 0.0000168500000000 ] - [ -0.0006750800000000, 0.0008885000000000, 0.0000082300000000 ] - [ -0.0004302800000000, 0.0009175100000000, 0.0000088900000000 ] - [ -0.0006602700000000, 0.0007168900000000, 0.0002788100000000 ] - [ -0.0006321700000000, 0.0003728100000000, 0.0003026900000000 ] - [ -0.0005082000000000, 0.0014905700000000, -0.0001408600000000 ] - [ 0.0000805400000000, 0.0006397700000000, -0.0000502600000000 ] - [ 0.0013450800000000, -0.0027568600000000, 0.0004952500000000 ] - [ -0.0005354200000000, -0.0023075900000000, -0.0002541200000000 ] - [ 0.0000847700000000, 0.0021361800000000, -0.0001901200000000 ] - [ -0.0001755900000000, 0.0012170300000000, -0.0002066400000000 ] - [ -0.0003645400000000, 0.0016030000000000, -0.0003527600000000 ] - [ 0.0002670600000000, 0.0007644900000000, -0.0001804900000000 ] - [ -0.0016187400000000, 0.0012410800000000, -0.0016920600000000 ] - [ -0.0002327600000000, 0.0000616700000000, 0.0002137200000000 ] - [ 0.0011412900000000, 0.0005639500000000, 0.0002979800000000 ] - [ -0.0016735500000000, 0.0010689100000000, -0.0002376400000000 ] - [ 0.0009318600000000, 0.0018921400000000, -0.0004259900000000 ] - [ 0.0006077400000000, 0.0004484200000000, -0.0000593500000000 ] - [ 0.0024176700000000, 0.0012167600000000, -0.0012263100000000 ] - [ -0.0009226100000000, -0.0002924600000000, 0.0004671300000000 ] - [ -0.0088119600000000, -0.0313501300000000, -0.0073225100000000 ] - [ -0.0002862500000000, -0.0005308200000000, -0.0000315500000000 ] - [ 0.0027263800000000, -0.0024576900000000, 0.0007245800000000 ] - [ -0.0016750400000000, -0.0012902800000000, 0.0002460800000000 ] - [ 0.0001631300000000, 0.0010431500000000, -0.0003557800000000 ] - [ 0.0003876100000000, 0.0011443300000000, -0.0002318900000000 ] - [ 0.0002966000000000, 0.0009483800000000, -0.0006122500000000 ] - [ -0.0005605600000000, 0.0003143500000000, -0.0008116300000000 ] - [ -0.0008239000000000, 0.0010164100000000, -0.0000605400000000 ] - [ 0.0007969300000000, 0.0002578100000000, 0.0001705900000000 ] - [ 0.0001313100000000, 0.0015776600000000, 0.0002583900000000 ] - [ -0.0001978900000000, 0.0015106700000000, 0.0001744800000000 ] - [ -0.0007683900000000, -0.0117940700000000, 0.0035301400000000 ] - [ 0.0007291000000000, -0.0010057900000000, -0.0002750000000000 ] - [ -0.0004456900000000, 0.0003818800000000, -0.0003522900000000 ] - [ 0.0012291600000000, 0.0004488800000000, 0.0002815200000000 ] - [ -0.0005214500000000, 0.0012425100000000, 0.0005612100000000 ] - [ -0.0003904200000000, -0.0001415200000000, 0.0002054400000000 ] - [ 0.0022697300000000, 0.0001912800000000, 0.0022138400000000 ] - [ -0.0001596600000000, -0.0008243400000000, -0.0003181800000000 ] - [ -0.0112830600000000, -0.0282810200000000, -0.0053664100000000 ] - [ -0.0002701000000000, -0.0012276300000000, -0.0004032600000000 ] - [ 0.0008733500000000, 0.0007450400000000, 0.0005199400000000 ] - [ -0.0014947900000000, 0.0014277300000000, -0.0004064000000000 ] - [ 0.0000086800000000, 0.0016060900000000, -0.0001490700000000 ] - [ -0.0000865200000000, 0.0007818700000000, -0.0001477400000000 ] - [ -0.0023659900000000, -0.0001900100000000, -0.0002840800000000 ] - [ 0.0026167300000000, -0.0010930700000000, -0.0003091400000000 ] - [ -0.0001486200000000, -0.0020831600000000, 0.0002880600000000 ] - [ -0.0003048800000000, -0.0000526200000000, -0.0003473500000000 ] - [ -0.0006378600000000, 0.0014678900000000, -0.0000964800000000 ] - [ 0.0001486700000000, -0.0002128000000000, 0.0002462900000000 ] - [ 0.0086648400000000, -0.0185780500000000, 0.0042133300000000 ] - [ 0.0003287900000000, -0.0010170400000000, -0.0000874400000000 ] - [ -0.0001980600000000, 0.0011190900000000, 0.0002846600000000 ] - [ -0.0003366000000000, 0.0004700700000000, 0.0002729000000000 ] - [ -0.0004073500000000, 0.0006277200000000, 0.0006741100000000 ] - [ 0.0002618200000000, 0.0000754300000000, 0.0007111400000000 ] - [ -0.0001571900000000, 0.0016047100000000, 0.0000509600000000 ] - [ 0.0000337900000000, 0.0005758500000000, -0.0002014600000000 ] - [ 0.0007769500000000, 0.0020773200000000, -0.0001302000000000 ] - [ -0.0003678400000000, 0.0008452500000000, -0.0004241000000000 ] - [ 0.0011946200000000, 0.0025097100000000, 0.0007246400000000 ] - [ -0.0002308500000000, 0.0004590900000000, 0.0003409400000000 ]- atom: 35 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ 0.0011843200000000, 0.0044027000000000, 0.0010606300000000 ] - [ -0.0002542900000000, 0.0003498500000000, -0.0001292300000000 ] - [ -0.0036530200000000, 0.0011545500000000, -0.0014323900000000 ] - [ 0.0013123400000000, 0.0006523100000000, -0.0039863800000000 ] - [ -0.0024434000000000, -0.0068264000000000, 0.0005896500000000 ] - [ 0.0001344400000000, 0.0007048700000000, -0.0001519100000000 ] - [ -0.0002425700000000, 0.0003904800000000, 0.0003187400000000 ] - [ -0.0001891300000000, 0.0002818700000000, 0.0002179400000000 ] - [ 0.0022391500000000, -0.0111466700000000, 0.0032920800000000 ] - [ -0.0006244300000000, -0.0000204300000000, 0.0004249900000000 ] - [ 0.0006327800000000, -0.0002440000000000, -0.0003058200000000 ] - [ 0.0004439700000000, -0.0000330700000000, -0.0002297200000000 ] - [ -0.0002011500000000, 0.0004013300000000, -0.0000383300000000 ] - [ 0.0000464100000000, 0.0007172200000000, -0.0002279600000000 ] - [ -0.0063091900000000, 0.0122247300000000, 0.0008691000000000 ] - [ 0.0002347100000000, 0.0002977500000000, -0.0004840700000000 ] - [ -0.0001076300000000, 0.0003612900000000, 0.0001367800000000 ] - [ -0.0001040800000000, 0.0003521300000000, 0.0001179200000000 ] - [ -0.0001516600000000, 0.0004428200000000, -0.0002506900000000 ] - [ -0.0001975700000000, 0.0004893600000000, -0.0002479800000000 ] - [ 0.0003009500000000, 0.0005157700000000, 0.0003679700000000 ] - [ 0.0001339400000000, 0.0003341700000000, 0.0006156600000000 ] - [ 0.0039361000000000, 0.0005629000000000, 0.0028882000000000 ] - [ -0.0007119000000000, 0.0005850100000000, 0.0023809700000000 ] - [ -0.0001533500000000, 0.0000053300000000, 0.0001748200000000 ] - [ -0.0001252800000000, 0.0000286700000000, -0.0000736200000000 ] - [ 0.0000322700000000, -0.0003798700000000, 0.0020262500000000 ] - [ 0.0008632100000000, -0.0001468400000000, 0.0002962000000000 ] - [ -0.0002915800000000, -0.0006803700000000, -0.0001099700000000 ] - [ -0.0004171300000000, -0.0007020900000000, 0.0001183900000000 ] - [ 0.0018619000000000, -0.0003481700000000, -0.0020777900000000 ] - [ -0.0000593800000000, -0.0004524200000000, -0.0002381500000000 ] - [ 0.0006840100000000, -0.0007286500000000, 0.0003908800000000 ] - [ 0.0007088600000000, -0.0007028600000000, 0.0003608800000000 ] - [ 0.0280780400000000, 0.0057501200000000, -0.1086917900000000 ] - [ -0.0010947700000000, -0.0000688600000000, 0.0004087200000000 ] - [ -0.0005268700000000, -0.0004200300000000, 0.0001712100000000 ] - [ -0.0004623500000000, -0.0003758800000000, -0.0001571100000000 ] - [ 0.0010442200000000, -0.0013583200000000, -0.0023959200000000 ] - [ -0.0001788200000000, -0.0005758800000000, -0.0002987700000000 ] - [ 0.0008650500000000, -0.0001051500000000, -0.0005642400000000 ] - [ 0.0008497100000000, -0.0000919200000000, -0.0005344500000000 ] - [ -0.0005084000000000, -0.0004801600000000, 0.0018380500000000 ] - [ 0.0004959900000000, -0.0001260900000000, 0.0002877200000000 ] - [ -0.0002245000000000, -0.0002198300000000, -0.0002675400000000 ] - [ -0.0003522600000000, -0.0003431700000000, 0.0000536100000000 ] - [ -0.0042950400000000, 0.0003058900000000, 0.0242133000000000 ] - [ -0.0005199800000000, -0.0006630200000000, -0.0003093100000000 ] - [ -0.0005243300000000, 0.0000880800000000, -0.0007366600000000 ] - [ -0.0012556300000000, -0.0003350300000000, -0.0004552400000000 ] - [ -0.0001586200000000, -0.0000114100000000, 0.0000805900000000 ] - [ -0.0001753600000000, -0.0000249400000000, 0.0001267800000000 ] - [ 0.0000497000000000, 0.0002378100000000, 0.0005301400000000 ] - [ 0.0001442300000000, 0.0001690200000000, 0.0000152800000000 ] - [ -0.0000323200000000, -0.0006086600000000, 0.0004145300000000 ] - [ -0.0000036300000000, -0.0006312400000000, 0.0003726900000000 ] - [ -0.0004346400000000, -0.0005015500000000, 0.0014736700000000 ] - [ -0.0001609100000000, -0.0002029100000000, -0.0000979300000000 ] - [ 0.0002221100000000, 0.0001122000000000, -0.0006388300000000 ] - [ 0.0003162000000000, -0.0001196700000000, -0.0006392400000000 ] - [ -0.0000611800000000, -0.0003240700000000, 0.0000082800000000 ] - [ -0.0000655100000000, -0.0003397400000000, 0.0000142600000000 ] - [ 0.0010297300000000, -0.0008873400000000, 0.0006688500000000 ] - [ -0.0002107600000000, 0.0000722600000000, 0.0004113300000000 ] - [ -0.0004200700000000, -0.0005972900000000, -0.0004013900000000 ] - [ -0.0004309900000000, -0.0006213000000000, -0.0003620900000000 ] - [ 0.0005511300000000, 0.0000514900000000, 0.0000228800000000 ] - [ 0.0005454800000000, 0.0000277800000000, 0.0000745000000000 ] - [ 0.0008031100000000, -0.0002816100000000, -0.0052409800000000 ] - [ 0.0000704000000000, -0.0000073200000000, -0.0001723100000000 ] - [ 0.0000442300000000, 0.0000148300000000, -0.0052780100000000 ] - [ -0.0006224600000000, -0.0000025300000000, 0.0001026400000000 ] - [ 0.0042920500000000, -0.0036554800000000, 0.0110400500000000 ] - [ 0.0003516000000000, 0.0001808000000000, 0.0001805800000000 ] - [ -0.0003227800000000, 0.0000349300000000, 0.0005490400000000 ] - [ -0.0001954800000000, 0.0001457800000000, -0.0004216200000000 ] - [ 0.0004934000000000, 0.0004265600000000, -0.0053351900000000 ] - [ 0.0002268200000000, -0.0001015800000000, -0.0003381200000000 ] - [ -0.0107653400000000, -0.0019023400000000, 0.0235851100000000 ] - [ 0.0000548100000000, -0.0003644600000000, 0.0000419000000000 ] - [ -0.0003980100000000, -0.0000492200000000, 0.0000373700000000 ] - [ -0.0003789200000000, -0.0000508400000000, 0.0000170300000000 ] - [ -0.0007013000000000, -0.0002683100000000, 0.0002780000000000 ] - [ -0.0006951200000000, -0.0002875000000000, 0.0002731500000000 ] - [ -0.0000441900000000, 0.0000811700000000, -0.0000069800000000 ] - [ -0.0000216800000000, 0.0000950100000000, -0.0000460300000000 ] - [ 0.0012664100000000, -0.0006392000000000, -0.0008415400000000 ] - [ -0.0000202000000000, -0.0005964500000000, 0.0001408900000000 ] - [ -0.0001161000000000, 0.0005663400000000, -0.0001200500000000 ] - [ -0.0000992900000000, 0.0005487200000000, -0.0001532900000000 ] - [ -0.0001116500000000, 0.0001494900000000, -0.0002008600000000 ] - [ -0.0000421900000000, 0.0001807700000000, -0.0002476500000000 ] - [ -0.0010499200000000, 0.0008148300000000, -0.0003220700000000 ] - [ -0.0005913300000000, 0.0001853600000000, -0.0001344400000000 ] - [ -0.0001672100000000, 0.0001734400000000, 0.0002191200000000 ] - [ 0.0005556500000000, -0.0004202700000000, 0.0003514900000000 ] - [ 0.0007412300000000, 0.0006730600000000, 0.0000355200000000 ] - [ 0.0006712400000000, 0.0001846000000000, -0.0000453900000000 ] - [ 0.0002856700000000, 0.0011235600000000, 0.0012376100000000 ] - [ -0.0003662000000000, -0.0001203900000000, 0.0008296000000000 ] - [ -0.0007216300000000, 0.0045734000000000, 0.0101696000000000 ] - [ 0.0001942700000000, 0.0000663700000000, 0.0000905100000000 ] - [ -0.0003058600000000, 0.0005406100000000, 0.0011826300000000 ] - [ 0.0010878300000000, 0.0002215400000000, 0.0007394400000000 ] - [ 0.0003938400000000, 0.0001944500000000, -0.0002588600000000 ] - [ 0.0003835900000000, 0.0001807000000000, -0.0002422600000000 ] - [ -0.0000308800000000, 0.0000533800000000, -0.0009397300000000 ] - [ -0.0001740700000000, 0.0000786700000000, -0.0007135100000000 ] - [ 0.0001360500000000, -0.0001891400000000, 0.0003679300000000 ] - [ 0.0002695700000000, -0.0000565100000000, 0.0001796500000000 ] - [ 0.0000393100000000, 0.0005691000000000, 0.0001674800000000 ] - [ 0.0000004900000000, 0.0005734400000000, 0.0002071600000000 ] - [ -0.0149214200000000, -0.0030312200000000, 0.0340839100000000 ] - [ 0.0007006400000000, -0.0003030400000000, -0.0002755800000000 ] - [ 0.0002666100000000, -0.0002476300000000, -0.0003346800000000 ] - [ 0.0000375700000000, -0.0004042100000000, -0.0001558300000000 ] - [ -0.0003146300000000, -0.0006944700000000, 0.0002195200000000 ] - [ -0.0003515800000000, -0.0005179800000000, 0.0002169200000000 ] - [ 0.0000009700000000, -0.0010318800000000, -0.0006582100000000 ] - [ 0.0004343800000000, -0.0005344700000000, -0.0005016200000000 ] - [ -0.0017872300000000, 0.0003143700000000, 0.0095131300000000 ] - [ 0.0002587600000000, -0.0007526300000000, -0.0002969800000000 ] - [ 0.0001559300000000, 0.0006862600000000, 0.0001078400000000 ] - [ -0.0006131200000000, 0.0010202000000000, 0.0001625700000000 ] - [ -0.0001327700000000, 0.0002367800000000, -0.0000827900000000 ] - [ -0.0001183500000000, 0.0002149500000000, -0.0001276300000000 ] - [ -0.0006989300000000, 0.0003536200000000, 0.0006115700000000 ] - [ 0.0013073300000000, 0.0008379100000000, 0.0006544900000000 ] - [ 0.0008427700000000, 0.0004400400000000, -0.0055320400000000 ] - [ -0.0001340800000000, 0.0005893900000000, -0.0002782800000000 ] - [ -0.0000008000000000, -0.0003138900000000, -0.0011999300000000 ] - [ -0.0002264700000000, -0.0002039800000000, 0.0001009000000000 ] - [ -0.0008156500000000, -0.0014577500000000, 0.0106438100000000 ] - [ 0.0006612000000000, 0.0000980100000000, 0.0000753500000000 ] - [ -0.0003283300000000, -0.0000492600000000, 0.0001971800000000 ] - [ -0.0003523300000000, -0.0000945800000000, 0.0002393100000000 ] - [ 0.0002477000000000, -0.0000704200000000, 0.0000218600000000 ] - [ 0.0000606800000000, 0.0000229000000000, 0.0006538300000000 ] - [ 0.0001055500000000, 0.0000793100000000, -0.0002012000000000 ] - [ 0.0001084100000000, 0.0001533500000000, -0.0001731900000000 ] - [ 0.0002027400000000, 0.0007936300000000, -0.0007885500000000 ] - [ -0.0000641200000000, 0.0006325400000000, -0.0003006100000000 ] - [ 0.0000976100000000, -0.0001180400000000, 0.0006774500000000 ] - [ 0.0003438900000000, 0.0000900200000000, 0.0004629500000000 ]- atom: 35 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0016093900000000, -0.0037800000000000, -0.0015418700000000 ] - [ -0.0001504100000000, 0.0002889800000000, -0.0003815200000000 ] - [ 0.0038719600000000, -0.0004058900000000, 0.0011957100000000 ] - [ -0.0010562500000000, 0.0001035900000000, 0.0037306800000000 ] - [ 0.0025030100000000, 0.0082387600000000, -0.0007692400000000 ] - [ -0.0000738800000000, 0.0007521800000000, 0.0000104100000000 ] - [ -0.0001668400000000, 0.0001990200000000, 0.0003779100000000 ] - [ -0.0002192300000000, 0.0003094700000000, 0.0004771500000000 ] - [ -0.0033161800000000, 0.0112100000000000, -0.0025557800000000 ] - [ -0.0004219600000000, 0.0000255800000000, 0.0002788400000000 ] - [ 0.0004164100000000, 0.0002497700000000, -0.0003966100000000 ] - [ 0.0006032800000000, 0.0000383500000000, -0.0004709500000000 ] - [ 0.0001386600000000, 0.0010543200000000, 0.0001850200000000 ] - [ -0.0001081900000000, 0.0007377800000000, 0.0003718200000000 ] - [ 0.0066945400000000, -0.0115605700000000, -0.0016071100000000 ] - [ 0.0001721000000000, 0.0002908900000000, -0.0002085100000000 ] - [ -0.0001021600000000, 0.0003878900000000, 0.0001276000000000 ] - [ -0.0001064000000000, 0.0003969700000000, 0.0001472100000000 ] - [ -0.0002250000000000, 0.0005816100000000, -0.0002630400000000 ] - [ -0.0001787600000000, 0.0005347700000000, -0.0002667900000000 ] - [ 0.0001067100000000, 0.0001230000000000, 0.0001435500000000 ] - [ 0.0002714600000000, 0.0003072800000000, -0.0001014300000000 ] - [ -0.0035335900000000, 0.0004580100000000, -0.0023963900000000 ] - [ 0.0010681200000000, 0.0004369600000000, -0.0018668300000000 ] - [ -0.0001491400000000, 0.0000656300000000, -0.0003594900000000 ] - [ -0.0001761900000000, 0.0000460200000000, -0.0001116800000000 ] - [ 0.0009608600000000, -0.0003465600000000, -0.0016838400000000 ] - [ 0.0001155400000000, -0.0005604500000000, 0.0000478300000000 ] - [ -0.0004786700000000, -0.0007072300000000, 0.0003685000000000 ] - [ -0.0003540300000000, -0.0006897700000000, 0.0001408000000000 ] - [ -0.0011124400000000, -0.0010664800000000, 0.0018191600000000 ] - [ 0.0008330700000000, -0.0009397600000000, -0.0000238500000000 ] - [ 0.0007220000000000, -0.0006423100000000, 0.0003276100000000 ] - [ 0.0006964300000000, -0.0006686100000000, 0.0003573700000000 ] - [ -0.0300635000000000, -0.0066156200000000, 0.1104681100000000 ] - [ -0.0006288400000000, -0.0000869200000000, 0.0006450500000000 ] - [ -0.0004494600000000, -0.0002859600000000, -0.0005058600000000 ] - [ -0.0005152200000000, -0.0003337600000000, -0.0001772100000000 ] - [ -0.0004736000000000, 0.0007074500000000, 0.0022599200000000 ] - [ 0.0007701200000000, -0.0001059600000000, 0.0001562200000000 ] - [ 0.0008611300000000, -0.0000580500000000, -0.0004932000000000 ] - [ 0.0008765200000000, -0.0000718200000000, -0.0005230600000000 ] - [ 0.0008207100000000, 0.0005699700000000, -0.0016423500000000 ] - [ -0.0001969000000000, 0.0002019700000000, -0.0000908400000000 ] - [ -0.0003699900000000, -0.0004716400000000, 0.0004203000000000 ] - [ -0.0002443200000000, -0.0003432200000000, 0.0000988500000000 ] - [ 0.0028849000000000, -0.0016618500000000, -0.0249442400000000 ] - [ -0.0008859600000000, -0.0007077000000000, -0.0004145000000000 ] - [ -0.0006011300000000, -0.0000206100000000, 0.0005741300000000 ] - [ 0.0001420000000000, 0.0004037200000000, 0.0002836300000000 ] - [ -0.0001775500000000, -0.0000191800000000, 0.0001778100000000 ] - [ -0.0001602000000000, -0.0000065100000000, 0.0001317200000000 ] - [ 0.0001814100000000, 0.0001331400000000, -0.0005476700000000 ] - [ 0.0000881000000000, 0.0002058400000000, -0.0000354100000000 ] - [ 0.0000029200000000, -0.0006126700000000, 0.0003367400000000 ] - [ -0.0000260100000000, -0.0005906800000000, 0.0003788300000000 ] - [ 0.0000395000000000, 0.0000743900000000, -0.0017189000000000 ] - [ -0.0002293300000000, -0.0002307200000000, -0.0001480900000000 ] - [ 0.0004027500000000, -0.0003661700000000, -0.0006355100000000 ] - [ 0.0003100900000000, -0.0001353400000000, -0.0006374200000000 ] - [ -0.0000669100000000, -0.0003725000000000, -0.0000051500000000 ] - [ -0.0000624300000000, -0.0003568000000000, -0.0000108100000000 ] - [ -0.0012403700000000, 0.0011906100000000, -0.0003457100000000 ] - [ 0.0000019300000000, 0.0002208800000000, -0.0000726200000000 ] - [ -0.0004348800000000, -0.0006705300000000, -0.0003186800000000 ] - [ -0.0004238400000000, -0.0006468900000000, -0.0003578200000000 ] - [ 0.0005681200000000, 0.0000140000000000, 0.0001418100000000 ] - [ 0.0005739200000000, 0.0000389400000000, 0.0000903300000000 ] - [ -0.0004700100000000, 0.0002336500000000, 0.0049727300000000 ] - [ 0.0002659900000000, -0.0000235300000000, -0.0000833400000000 ] - [ -0.0008169000000000, 0.0003260800000000, 0.0057627500000000 ] - [ -0.0001620300000000, 0.0003534500000000, 0.0003702800000000 ] - [ -0.0041251000000000, 0.0041622600000000, -0.0109054500000000 ] - [ -0.0000860000000000, 0.0002419700000000, 0.0000915200000000 ] - [ -0.0001536300000000, 0.0002439800000000, -0.0014528300000000 ] - [ -0.0002822500000000, 0.0001463900000000, -0.0004798100000000 ] - [ 0.0001820200000000, -0.0006206300000000, 0.0048468400000000 ] - [ 0.0004711200000000, -0.0001087400000000, -0.0001361300000000 ] - [ 0.0096471100000000, 0.0011693400000000, -0.0214042500000000 ] - [ 0.0000743400000000, -0.0003318400000000, -0.0000423400000000 ] - [ -0.0003726300000000, -0.0000911500000000, -0.0000134800000000 ] - [ -0.0003913000000000, -0.0000892400000000, 0.0000071900000000 ] - [ -0.0006997800000000, -0.0003256200000000, 0.0002873400000000 ] - [ -0.0007055000000000, -0.0003063800000000, 0.0002918300000000 ] - [ -0.0000232000000000, 0.0000723900000000, -0.0000986900000000 ] - [ -0.0000459000000000, 0.0000594300000000, -0.0000596200000000 ] - [ -0.0004192200000000, -0.0006297700000000, 0.0015633800000000 ] - [ 0.0008772000000000, -0.0006711500000000, 0.0005721400000000 ] - [ -0.0000964700000000, 0.0005239900000000, -0.0001933100000000 ] - [ -0.0001132100000000, 0.0005419400000000, -0.0001605600000000 ] - [ -0.0000501700000000, 0.0001605200000000, -0.0003206100000000 ] - [ -0.0001194000000000, 0.0001287000000000, -0.0002738100000000 ] - [ -0.0002841600000000, -0.0004660200000000, 0.0004486200000000 ] - [ -0.0007368300000000, 0.0001647300000000, 0.0002495700000000 ] - [ -0.0000632800000000, 0.0002038900000000, -0.0001972200000000 ] - [ -0.0007846500000000, 0.0007933200000000, -0.0003256800000000 ] - [ 0.0005881900000000, -0.0003248800000000, -0.0001500600000000 ] - [ 0.0006583900000000, 0.0001654300000000, -0.0000667100000000 ] - [ -0.0009109700000000, -0.0013826800000000, 0.0000297200000000 ] - [ -0.0002599300000000, -0.0001335500000000, 0.0004506100000000 ] - [ 0.0007513100000000, -0.0045367100000000, -0.0101460700000000 ] - [ -0.0001257400000000, 0.0000872000000000, 0.0000189400000000 ] - [ 0.0005312900000000, 0.0005524000000000, -0.0008656400000000 ] - [ -0.0008732500000000, 0.0008693600000000, -0.0004127900000000 ] - [ 0.0003917800000000, 0.0001560100000000, -0.0002102200000000 ] - [ 0.0004021800000000, 0.0001696100000000, -0.0002271700000000 ] - [ -0.0001716700000000, 0.0000106200000000, -0.0004091100000000 ] - [ -0.0000264800000000, -0.0000119900000000, -0.0006357400000000 ] - [ 0.0002566900000000, -0.0002469800000000, -0.0001196400000000 ] - [ 0.0001216900000000, -0.0003776500000000, 0.0000700800000000 ] - [ -0.0000030300000000, 0.0005290300000000, 0.0002553300000000 ] - [ 0.0000362800000000, 0.0005248200000000, 0.0002154900000000 ] - [ 0.0177118800000000, 0.0029171000000000, -0.0376510200000000 ] - [ 0.0006997300000000, -0.0002901500000000, -0.0002861900000000 ] - [ 0.0001268100000000, -0.0001509600000000, 0.0001080700000000 ] - [ 0.0003581800000000, 0.0000037800000000, -0.0000726100000000 ] - [ -0.0003916900000000, -0.0003428000000000, 0.0002177000000000 ] - [ -0.0003551600000000, -0.0005192800000000, 0.0002225200000000 ] - [ 0.0007056200000000, -0.0000052200000000, 0.0002328700000000 ] - [ 0.0002747800000000, -0.0005031200000000, 0.0000650900000000 ] - [ 0.0019337200000000, -0.0013724300000000, -0.0102011500000000 ] - [ -0.0002279400000000, -0.0004689900000000, -0.0004525900000000 ] - [ -0.0001163800000000, 0.0005370900000000, 0.0004521700000000 ] - [ 0.0006566600000000, 0.0002050600000000, 0.0003950200000000 ] - [ -0.0001299000000000, 0.0001862600000000, -0.0001851100000000 ] - [ -0.0001438300000000, 0.0002077700000000, -0.0001398000000000 ] - [ 0.0008733800000000, -0.0000482500000000, -0.0000857500000000 ] - [ -0.0011422800000000, -0.0005259200000000, -0.0001185900000000 ] - [ -0.0008670700000000, 0.0006789700000000, 0.0051268700000000 ] - [ 0.0000976600000000, 0.0005090700000000, -0.0001399300000000 ] - [ -0.0003930700000000, -0.0000916400000000, 0.0014294600000000 ] - [ -0.0001687000000000, -0.0001960200000000, 0.0001296000000000 ] - [ 0.0017160900000000, 0.0012245800000000, -0.0105954900000000 ] - [ 0.0001107300000000, -0.0002388700000000, -0.0000969600000000 ] - [ -0.0003684900000000, -0.0001614200000000, 0.0002782400000000 ] - [ -0.0003440600000000, -0.0001155700000000, 0.0002362500000000 ] - [ -0.0000452600000000, 0.0001448600000000, 0.0013306500000000 ] - [ 0.0001410900000000, 0.0000434300000000, 0.0006986300000000 ] - [ 0.0001006000000000, 0.0002176100000000, -0.0001335000000000 ] - [ 0.0000986300000000, 0.0001435800000000, -0.0001629300000000 ] - [ -0.0002420900000000, 0.0004330200000000, 0.0002301400000000 ] - [ 0.0000233500000000, 0.0005916800000000, -0.0002555400000000 ] - [ 0.0003812800000000, 0.0004149800000000, 0.0002269400000000 ] - [ 0.0001337200000000, 0.0002007900000000, 0.0004422500000000 ]- atom: 39 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ 0.0041727800000000, -0.0000096400000000, 0.0064576700000000 ] - [ 0.0011900400000000, -0.0004039500000000, -0.0005139500000000 ] - [ 0.0001095700000000, 0.0108616900000000, -0.0075299900000000 ] - [ 0.0029631000000000, -0.0008003500000000, 0.0006527500000000 ] - [ 0.0100482800000000, 0.0000155700000000, -0.0055535500000000 ] - [ 0.0106576700000000, -0.0014617900000000, 0.0034288800000000 ] - [ -0.0014817200000000, -0.0054534900000000, -0.0036306900000000 ] - [ 0.0023291600000000, 0.0016262300000000, 0.0010154000000000 ] - [ -0.0006975500000000, -0.0010953900000000, 0.0005558900000000 ] - [ -0.0000184500000000, 0.0009625500000000, 0.0003718000000000 ] - [ -0.0060696500000000, -0.0010307900000000, 0.0014057800000000 ] - [ 0.0028164900000000, 0.0004579100000000, 0.0003047400000000 ] - [ -0.0006706200000000, 0.0007009300000000, -0.0001190900000000 ] - [ 0.0005934100000000, 0.0008302200000000, 0.0002525300000000 ] - [ 0.0006137800000000, -0.0010604500000000, -0.0004876900000000 ] - [ 0.0004696800000000, 0.0018495800000000, -0.0001648800000000 ] - [ 0.0000290200000000, 0.0014628800000000, 0.0000656200000000 ] - [ 0.0001649500000000, -0.0005724200000000, 0.0002582500000000 ] - [ -0.0002810200000000, 0.0017732600000000, -0.0001635300000000 ] - [ 0.0001651300000000, -0.0002977400000000, -0.0002334700000000 ] - [ -0.0003617000000000, 0.0004006800000000, 0.0001263300000000 ] - [ 0.0007683400000000, 0.0003674900000000, 0.0003935400000000 ] - [ -0.0074972500000000, 0.0039637200000000, 0.0020339900000000 ] - [ 0.0023397600000000, -0.0000568500000000, 0.0008005900000000 ] - [ -0.0010455000000000, 0.0018249900000000, -0.0007235700000000 ] - [ 0.0016626400000000, -0.0013070300000000, 0.0006789600000000 ] - [ -0.0025862200000000, -0.0013610700000000, -0.0076583700000000 ] - [ 0.0032530600000000, -0.0003809200000000, 0.0011867000000000 ] - [ 0.0017873300000000, 0.0097487800000000, 0.0005087400000000 ] - [ 0.0018785300000000, -0.0021941200000000, 0.0003803200000000 ] - [ -0.0013723800000000, -0.0006884700000000, -0.0005057400000000 ] - [ 0.0014233500000000, -0.0007342200000000, 0.0001352700000000 ] - [ -0.0004829300000000, -0.0007659700000000, -0.0001058800000000 ] - [ 0.0016232100000000, -0.0005665500000000, 0.0006666600000000 ] - [ 0.0013989400000000, -0.0070747400000000, 0.0019126300000000 ] - [ 0.0014574500000000, 0.0012413500000000, 0.0006525400000000 ] - [ -0.0009300000000000, -0.0003210600000000, -0.0002936900000000 ] - [ -0.0000562100000000, -0.0002946500000000, -0.0000427900000000 ] - [ -0.1194916700000000, 0.0051165400000000, 0.0025196200000000 ] - [ 0.0031966400000000, -0.0002386100000000, 0.0004513800000000 ] - [ -0.0006902900000000, -0.0000811900000000, -0.0008658000000000 ] - [ 0.0018274100000000, -0.0000143100000000, -0.0003280500000000 ] - [ -0.0011709000000000, 0.0004852200000000, -0.0002773200000000 ] - [ 0.0011318000000000, -0.0000246000000000, 0.0003595600000000 ] - [ -0.0007270000000000, -0.0003607600000000, -0.0000313000000000 ] - [ 0.0001325300000000, -0.0002586200000000, 0.0001769200000000 ] - [ -0.0015804900000000, -0.0020735900000000, -0.0010508800000000 ] - [ 0.0010810500000000, 0.0006786100000000, 0.0006603200000000 ] - [ 0.0005479700000000, 0.0002198900000000, 0.0015286400000000 ] - [ -0.0022455200000000, 0.0006320300000000, -0.0008646700000000 ] - [ 0.0015099100000000, -0.0004729100000000, 0.0008785800000000 ] - [ -0.0011525600000000, 0.0001877700000000, -0.0002771800000000 ] - [ -0.0036929900000000, -0.0016907100000000, -0.0007725400000000 ] - [ -0.0020521200000000, 0.0021777700000000, 0.0009625300000000 ] - [ 0.0002997200000000, -0.0004397000000000, 0.0004437700000000 ] - [ -0.0003233600000000, -0.0007292800000000, 0.0003010300000000 ] - [ -0.0001229000000000, 0.0001351200000000, -0.0001532200000000 ] - [ -0.0003617900000000, -0.0005650500000000, -0.0001052800000000 ] - [ 0.0000895000000000, -0.0029006900000000, 0.0018788000000000 ] - [ -0.0009562900000000, 0.0007082400000000, -0.0010608900000000 ] - [ 0.0006113000000000, 0.0001380300000000, 0.0001620700000000 ] - [ -0.0005062000000000, -0.0006024300000000, -0.0001050100000000 ] - [ 0.0111334700000000, 0.0020855100000000, -0.0068438000000000 ] - [ -0.0013505000000000, -0.0000248500000000, -0.0001529900000000 ] - [ -0.0004876400000000, -0.0015777600000000, -0.0003970100000000 ] - [ -0.0006705600000000, -0.0000007000000000, -0.0004769100000000 ] - [ 0.0004983300000000, -0.0002066600000000, 0.0000607500000000 ] - [ 0.0005761800000000, 0.0001938100000000, 0.0000670100000000 ] - [ 0.0008731400000000, 0.0005433900000000, 0.0001607800000000 ] - [ -0.0004719900000000, -0.0004251100000000, -0.0004060300000000 ] - [ -0.0007871600000000, 0.0007452900000000, 0.0002121200000000 ] - [ -0.0003887700000000, -0.0005919600000000, -0.0000204800000000 ] - [ 0.0144994400000000, -0.0076702800000000, 0.0005658700000000 ] - [ -0.0014166500000000, 0.0002426300000000, -0.0002455000000000 ] - [ 0.0325407700000000, 0.0118593800000000, 0.0091504100000000 ] - [ -0.0020449000000000, 0.0002494600000000, -0.0005782100000000 ] - [ 0.0018168500000000, 0.0005438800000000, 0.0019427100000000 ] - [ -0.0011710200000000, -0.0000902200000000, -0.0006717900000000 ] - [ -0.0006538500000000, 0.0013861200000000, 0.0008951500000000 ] - [ -0.0012284300000000, -0.0016600300000000, -0.0004171400000000 ] - [ 0.0001743600000000, 0.0012212100000000, -0.0001522800000000 ] - [ -0.0009703200000000, -0.0003842800000000, -0.0000323700000000 ] - [ 0.0000095000000000, -0.0002965800000000, 0.0005001100000000 ] - [ -0.0011735100000000, -0.0003416300000000, 0.0001452600000000 ] - [ 0.0029423200000000, -0.0010843200000000, 0.0004242800000000 ] - [ -0.0010615400000000, 0.0003372100000000, -0.0001988700000000 ] - [ 0.0013256600000000, -0.0019936500000000, 0.0012879500000000 ] - [ -0.0001735800000000, -0.0002350300000000, 0.0000168200000000 ] - [ -0.0005189500000000, -0.0008179700000000, -0.0002338200000000 ] - [ -0.0004823800000000, 0.0014732400000000, -0.0001981200000000 ] - [ -0.0001798400000000, -0.0000654000000000, -0.0002880600000000 ] - [ -0.0000444900000000, 0.0003067000000000, -0.0002316500000000 ] - [ 0.0115045100000000, 0.0009484700000000, -0.0057514500000000 ] - [ -0.0020408800000000, 0.0002519100000000, -0.0003361200000000 ] - [ 0.0002163300000000, -0.0001382900000000, 0.0001187900000000 ] - [ -0.0004776400000000, 0.0003656700000000, -0.0001008300000000 ] - [ 0.0008963000000000, 0.0002264600000000, -0.0000196400000000 ] - [ 0.0004370700000000, 0.0000790800000000, -0.0001070100000000 ] - [ 0.0003651700000000, -0.0001072500000000, 0.0007283000000000 ] - [ -0.0007933000000000, -0.0001861000000000, 0.0005161400000000 ] - [ 0.0006517900000000, 0.0015745000000000, 0.0001690700000000 ] - [ -0.0007555600000000, -0.0003555900000000, -0.0000687900000000 ] - [ 0.0017624500000000, -0.0010263300000000, 0.0001180800000000 ] - [ -0.0005703400000000, 0.0009378100000000, 0.0001282600000000 ] - [ 0.0006602400000000, 0.0008633500000000, 0.0001425300000000 ] - [ -0.0001751000000000, -0.0001723800000000, -0.0004885400000000 ] - [ 0.0003198800000000, 0.0000045400000000, -0.0005826700000000 ] - [ -0.0004822600000000, 0.0000109100000000, -0.0007586900000000 ] - [ 0.0224651000000000, -0.0244700300000000, 0.0013335900000000 ] - [ -0.0011151600000000, -0.0002331100000000, 0.0000582200000000 ] - [ 0.0002848700000000, 0.0006416000000000, 0.0002962400000000 ] - [ -0.0002535900000000, 0.0004405400000000, 0.0001366100000000 ] - [ 0.0014213900000000, 0.0009315500000000, -0.0013369700000000 ] - [ -0.0000732500000000, -0.0007299800000000, -0.0004386800000000 ] - [ 0.0014055500000000, -0.0002167600000000, 0.0022317400000000 ] - [ -0.0013815400000000, -0.0004445300000000, -0.0007716300000000 ] - [ -0.0003243400000000, -0.0029090500000000, -0.0016674800000000 ] - [ -0.0010794800000000, 0.0002248700000000, 0.0001406700000000 ] - [ 0.0009039200000000, -0.0007365600000000, -0.0000070600000000 ] - [ -0.0000479800000000, -0.0004679700000000, -0.0003202100000000 ] - [ -0.0034534600000000, 0.0017958500000000, -0.0015568600000000 ] - [ -0.0023276800000000, -0.0015970200000000, 0.0006139300000000 ] - [ 0.0003004900000000, 0.0003555700000000, 0.0003543700000000 ] - [ -0.0003062100000000, 0.0007424300000000, 0.0001915700000000 ] - [ 0.0002830600000000, 0.0000325800000000, -0.0000047100000000 ] - [ -0.0005166200000000, 0.0002673800000000, -0.0002577400000000 ] - [ 0.0213471400000000, 0.0051660200000000, 0.0043605900000000 ] - [ -0.0020288400000000, 0.0007488900000000, 0.0000060700000000 ] - [ -0.0002168400000000, 0.0017675200000000, -0.0000166300000000 ] - [ -0.0013154000000000, -0.0003127100000000, -0.0022463000000000 ] - [ -0.0002104900000000, 0.0000452000000000, 0.0001506900000000 ] - [ -0.0002259000000000, -0.0004955600000000, 0.0000545400000000 ] - [ -0.0000558900000000, 0.0009968900000000, -0.0002576400000000 ] - [ -0.0003499100000000, -0.0012797800000000, 0.0000749700000000 ] - [ 0.0000946400000000, -0.0002166900000000, 0.0003324300000000 ] - [ -0.0007496700000000, -0.0000733300000000, 0.0001551300000000 ] - [ 0.0016017800000000, 0.0002079000000000, 0.0016940700000000 ] - [ -0.0014244300000000, 0.0002034900000000, -0.0000632300000000 ] - [ 0.0003120600000000, 0.0000524200000000, -0.0000930600000000 ] - [ -0.0001167100000000, 0.0002096500000000, -0.0002357600000000 ] - [ -0.0010881000000000, -0.0003928000000000, -0.0003372000000000 ] - [ -0.0006440300000000, 0.0022785900000000, -0.0020355900000000 ] - [ 0.0006783100000000, 0.0001551100000000, 0.0005887400000000 ] - [ -0.0001436300000000, 0.0001307400000000, 0.0003311500000000 ]- atom: 39 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ -0.0045807300000000, 0.0006371600000000, -0.0069937700000000 ] - [ -0.0016055900000000, 0.0010445200000000, -0.0000101400000000 ] - [ 0.0000665800000000, -0.0100762500000000, 0.0072308400000000 ] - [ -0.0027574500000000, 0.0015572600000000, -0.0009180300000000 ] - [ -0.0100698400000000, 0.0014298500000000, 0.0054632100000000 ] - [ -0.0105307000000000, 0.0029207300000000, -0.0035378600000000 ] - [ 0.0010450500000000, 0.0060433000000000, 0.0043281000000000 ] - [ -0.0027391200000000, -0.0010412000000000, -0.0003223600000000 ] - [ -0.0003473100000000, 0.0010994600000000, 0.0001482100000000 ] - [ -0.0010336400000000, -0.0009569300000000, 0.0003295400000000 ] - [ 0.0071091300000000, 0.0010747400000000, -0.0021370300000000 ] - [ -0.0017676200000000, -0.0004575200000000, -0.0010056800000000 ] - [ 0.0006075500000000, 0.0007542700000000, 0.0002619900000000 ] - [ -0.0006553200000000, 0.0006245100000000, -0.0001094500000000 ] - [ -0.0002000200000000, 0.0016523600000000, -0.0002044300000000 ] - [ -0.0000647800000000, -0.0012581600000000, -0.0005286500000000 ] - [ -0.0002378200000000, -0.0007165000000000, 0.0001992900000000 ] - [ -0.0003816100000000, 0.0013215700000000, 0.0000048800000000 ] - [ -0.0000930200000000, -0.0007517300000000, -0.0003516100000000 ] - [ -0.0005469000000000, 0.0013199700000000, -0.0002842900000000 ] - [ 0.0007681700000000, 0.0002390800000000, 0.0003864900000000 ] - [ -0.0003598900000000, 0.0002725300000000, 0.0001200800000000 ] - [ 0.0078392200000000, -0.0029720000000000, -0.0015424500000000 ] - [ -0.0019622500000000, 0.0010844500000000, -0.0002822800000000 ] - [ 0.0007479700000000, -0.0017446900000000, 0.0005455900000000 ] - [ -0.0019691100000000, 0.0013785400000000, -0.0008629700000000 ] - [ 0.0035627300000000, 0.0006525900000000, 0.0080077600000000 ] - [ -0.0022747300000000, -0.0003282600000000, -0.0008413200000000 ] - [ -0.0025572600000000, -0.0111678100000000, -0.0002615300000000 ] - [ -0.0026456500000000, 0.0007901100000000, -0.0001235900000000 ] - [ 0.0021446100000000, -0.0007096400000000, 0.0002459100000000 ] - [ -0.0006498000000000, -0.0006563700000000, -0.0003954200000000 ] - [ 0.0018883700000000, -0.0006011000000000, 0.0008255900000000 ] - [ -0.0002188900000000, -0.0008069400000000, 0.0000530700000000 ] - [ -0.0030940300000000, 0.0069542100000000, -0.0008542200000000 ] - [ -0.0031826300000000, -0.0013905100000000, 0.0004006200000000 ] - [ -0.0000453700000000, -0.0003897300000000, -0.0000473700000000 ] - [ -0.0009224500000000, -0.0004156500000000, -0.0002986700000000 ] - [ 0.1207459900000000, -0.0049789900000000, -0.0024462900000000 ] - [ -0.0026049200000000, -0.0004456600000000, -0.0005913600000000 ] - [ 0.0024188000000000, -0.0000777100000000, -0.0001926000000000 ] - [ -0.0001013300000000, -0.0001531600000000, -0.0007309200000000 ] - [ 0.0014733300000000, -0.0004076900000000, 0.0004681600000000 ] - [ -0.0008301400000000, 0.0001072700000000, -0.0001685100000000 ] - [ 0.0001326400000000, -0.0003284800000000, 0.0001814600000000 ] - [ -0.0007301900000000, -0.0004302200000000, -0.0000272000000000 ] - [ 0.0001870700000000, 0.0007026900000000, 0.0003298200000000 ] - [ -0.0024892800000000, -0.0020413700000000, -0.0013898000000000 ] - [ -0.0016507200000000, -0.0001509700000000, -0.0016842200000000 ] - [ 0.0011280700000000, -0.0005680400000000, 0.0007040200000000 ] - [ -0.0018502900000000, 0.0004387000000000, -0.0006226300000000 ] - [ 0.0008165200000000, -0.0002175200000000, 0.0005344600000000 ] - [ 0.0039129300000000, 0.0020690500000000, 0.0007573800000000 ] - [ 0.0022726500000000, -0.0017837300000000, -0.0009740100000000 ] - [ -0.0003289700000000, -0.0007849700000000, 0.0003060600000000 ] - [ 0.0002932400000000, -0.0004926300000000, 0.0004484800000000 ] - [ -0.0002714300000000, -0.0005706000000000, -0.0000949700000000 ] - [ -0.0000304700000000, 0.0001292400000000, -0.0001427700000000 ] - [ 0.0005312700000000, 0.0026557100000000, -0.0031674900000000 ] - [ 0.0015805400000000, -0.0009605600000000, -0.0002182500000000 ] - [ -0.0007390600000000, -0.0008377700000000, -0.0001599500000000 ] - [ 0.0003789700000000, -0.0000933400000000, 0.0001075500000000 ] - [ -0.0114099400000000, -0.0017840900000000, 0.0071704500000000 ] - [ 0.0011466700000000, 0.0003184100000000, 0.0004924200000000 ] - [ -0.0003711500000000, 0.0003112200000000, -0.0003256200000000 ] - [ -0.0001841200000000, -0.0012646600000000, -0.0002436900000000 ] - [ 0.0006184900000000, 0.0002718500000000, 0.0001031000000000 ] - [ 0.0005427800000000, -0.0001289800000000, 0.0000976800000000 ] - [ -0.0005395700000000, -0.0005738500000000, -0.0004180200000000 ] - [ 0.0008090600000000, 0.0003926100000000, 0.0001500100000000 ] - [ -0.0000018500000000, -0.0003955000000000, 0.0002571800000000 ] - [ -0.0003920800000000, 0.0009444900000000, 0.0004927400000000 ] - [ -0.0142550300000000, 0.0083480600000000, -0.0002756100000000 ] - [ 0.0016808000000000, 0.0001762600000000, 0.0005148700000000 ] - [ -0.0349528200000000, -0.0127535900000000, -0.0109120000000000 ] - [ 0.0015632100000000, 0.0000415100000000, -0.0003215300000000 ] - [ -0.0011310800000000, -0.0007456200000000, -0.0024251600000000 ] - [ 0.0018670800000000, -0.0001236100000000, 0.0001966300000000 ] - [ 0.0007741300000000, -0.0020914000000000, -0.0009004800000000 ] - [ 0.0013570500000000, 0.0009590800000000, 0.0004148100000000 ] - [ -0.0009401100000000, -0.0013692200000000, 0.0001757300000000 ] - [ 0.0001992200000000, 0.0002467900000000, 0.0000556200000000 ] - [ -0.0014115400000000, -0.0002992700000000, 0.0000644100000000 ] - [ -0.0002259000000000, -0.0002499700000000, 0.0004193000000000 ] - [ -0.0030185800000000, 0.0012349700000000, -0.0005327500000000 ] - [ 0.0009930700000000, -0.0001809500000000, 0.0000920800000000 ] - [ -0.0004684400000000, 0.0007277400000000, -0.0005618600000000 ] - [ 0.0010304100000000, -0.0010346100000000, 0.0007060400000000 ] - [ 0.0003031900000000, 0.0019107900000000, -0.0000807800000000 ] - [ 0.0002730600000000, -0.0003791500000000, -0.0001159600000000 ] - [ 0.0000158500000000, 0.0003732600000000, -0.0002356800000000 ] - [ -0.0001172700000000, 0.0000006700000000, -0.0002917500000000 ] - [ -0.0127957700000000, -0.0006159900000000, 0.0059346900000000 ] - [ 0.0007112300000000, 0.0000958400000000, 0.0004497800000000 ] - [ -0.0004466400000000, 0.0005129200000000, -0.0000981200000000 ] - [ 0.0002455300000000, 0.0000078600000000, 0.0001210800000000 ] - [ 0.0004313600000000, 0.0001208000000000, -0.0000939700000000 ] - [ 0.0008918100000000, 0.0002680800000000, -0.0000062500000000 ] - [ -0.0009906900000000, -0.0001472500000000, 0.0005499300000000 ] - [ 0.0001682400000000, -0.0000705300000000, 0.0007629600000000 ] - [ -0.0005890100000000, -0.0014139100000000, -0.0000617700000000 ] - [ 0.0008241000000000, 0.0005072300000000, 0.0001772200000000 ] - [ -0.0015435900000000, 0.0021191600000000, 0.0001970200000000 ] - [ 0.0007824200000000, 0.0001501500000000, 0.0001864500000000 ] - [ 0.0001301000000000, -0.0005164900000000, -0.0006109300000000 ] - [ 0.0009607000000000, 0.0005254700000000, 0.0000179600000000 ] - [ -0.0005220900000000, 0.0000605000000000, -0.0007664300000000 ] - [ 0.0002807100000000, 0.0000533800000000, -0.0005902000000000 ] - [ -0.0219399900000000, 0.0232532600000000, -0.0010376700000000 ] - [ 0.0015078600000000, -0.0002004200000000, 0.0001910100000000 ] - [ -0.0002476200000000, 0.0004535200000000, 0.0001261000000000 ] - [ 0.0002902400000000, 0.0006566700000000, 0.0002861700000000 ] - [ -0.0000310900000000, -0.0015230400000000, 0.0007694600000000 ] - [ 0.0014732200000000, 0.0001348700000000, -0.0001238400000000 ] - [ -0.0009969000000000, -0.0001909900000000, -0.0024483100000000 ] - [ 0.0017779500000000, 0.0000443000000000, 0.0005433500000000 ] - [ -0.0003886800000000, 0.0018728700000000, 0.0021054100000000 ] - [ 0.0003713400000000, -0.0012608700000000, 0.0002987300000000 ] - [ -0.0001956500000000, -0.0002996100000000, -0.0004289500000000 ] - [ 0.0007560000000000, -0.0005714200000000, -0.0001166900000000 ] - [ 0.0035045200000000, -0.0030366900000000, 0.0008192400000000 ] - [ 0.0023510300000000, 0.0003642900000000, -0.0013572800000000 ] - [ -0.0002572100000000, 0.0008678400000000, 0.0002067300000000 ] - [ 0.0003476900000000, 0.0004800600000000, 0.0003690300000000 ] - [ -0.0005471800000000, 0.0003876500000000, -0.0002653100000000 ] - [ 0.0002554300000000, 0.0001544000000000, -0.0000110800000000 ] - [ -0.0198468900000000, -0.0040158300000000, -0.0033479700000000 ] - [ 0.0021963100000000, -0.0004450700000000, 0.0005183300000000 ] - [ 0.0001751000000000, -0.0006753300000000, -0.0004096700000000 ] - [ 0.0012800700000000, 0.0014036300000000, 0.0018208100000000 ] - [ -0.0001872900000000, -0.0004473900000000, 0.0000781500000000 ] - [ -0.0001701500000000, 0.0000932900000000, 0.0001749000000000 ] - [ 0.0008228900000000, -0.0011415400000000, 0.0002356400000000 ] - [ 0.0011243600000000, 0.0011387600000000, -0.0000954400000000 ] - [ -0.0007930100000000, 0.0000041300000000, 0.0001427900000000 ] - [ 0.0000540000000000, -0.0001378900000000, 0.0003206300000000 ] - [ -0.0014193000000000, -0.0001487400000000, -0.0003523700000000 ] - [ 0.0016262700000000, -0.0001373600000000, 0.0014118500000000 ] - [ -0.0001089900000000, 0.0002415600000000, -0.0002449100000000 ] - [ 0.0003214900000000, 0.0000837200000000, -0.0001017000000000 ] - [ 0.0010433800000000, 0.0016205000000000, -0.0002271400000000 ] - [ 0.0006069700000000, -0.0010446000000000, 0.0014689300000000 ] - [ -0.0002013600000000, 0.0001340800000000, 0.0003136100000000 ] - [ 0.0006211200000000, 0.0001574400000000, 0.0005713800000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015208300000000, -0.0045546800000000, 0.0018361700000000 ] - [ -0.0005657200000000, -0.0042167600000000, -0.0002772800000000 ] - [ 0.0098638500000000, 0.0064489500000000, -0.0080426300000000 ] - [ -0.0008404700000000, -0.0007347400000000, -0.0004587700000000 ] - [ 0.0012809900000000, -0.0060061900000000, -0.0008514800000000 ] - [ 0.0009299600000000, -0.0062508700000000, -0.0000696000000000 ] - [ -0.0058200400000000, 0.0070924100000000, 0.0067541400000000 ] - [ 0.0007410200000000, 0.0002220900000000, 0.0005811300000000 ] - [ -0.0015970100000000, 0.0023012600000000, -0.0003311200000000 ] - [ 0.0002714900000000, 0.0016208000000000, 0.0005921300000000 ] - [ 0.0005841700000000, 0.0076836800000000, -0.0115274300000000 ] - [ 0.0009000900000000, -0.0005043200000000, -0.0002220800000000 ] - [ 0.0001553500000000, 0.0037049700000000, 0.0000511100000000 ] - [ 0.0000103000000000, 0.0021867300000000, 0.0000563400000000 ] - [ -0.0013806200000000, 0.0022273600000000, -0.0003669200000000 ] - [ 0.0016429200000000, 0.0022902800000000, -0.0000158400000000 ] - [ 0.0006802000000000, 0.0021997200000000, 0.0002025400000000 ] - [ -0.0013839600000000, 0.0027897400000000, -0.0002709300000000 ] - [ 0.0006464400000000, 0.0023540600000000, 0.0002008000000000 ] - [ -0.0013146300000000, 0.0022923500000000, -0.0004573300000000 ] - [ 0.0004436600000000, 0.0032002300000000, 0.0004008400000000 ] - [ 0.0001837900000000, 0.0017784700000000, 0.0002740600000000 ] - [ 0.0039680500000000, 0.0066511000000000, 0.0122921900000000 ] - [ -0.0002300400000000, -0.0004158600000000, 0.0002306800000000 ] - [ 0.0015681500000000, -0.0004730200000000, 0.0000036300000000 ] - [ -0.0015636700000000, -0.0004118500000000, -0.0006127100000000 ] - [ 0.0009515700000000, -0.0071561800000000, -0.0025175100000000 ] - [ 0.0006997800000000, -0.0018419200000000, 0.0002361600000000 ] - [ 0.0066740400000000, 0.0038240700000000, 0.0018425800000000 ] - [ -0.0020003800000000, -0.0012812400000000, -0.0001316500000000 ] - [ 0.0005961200000000, 0.0031309800000000, -0.0002070300000000 ] - [ 0.0004343400000000, 0.0000749300000000, -0.0001074500000000 ] - [ 0.0009654100000000, 0.0018515300000000, 0.0003882200000000 ] - [ 0.0006881000000000, 0.0000070400000000, 0.0003462400000000 ] - [ -0.0112226500000000, 0.0054780800000000, -0.0032899400000000 ] - [ 0.0005131100000000, -0.0004283100000000, 0.0006497900000000 ] - [ -0.0004539700000000, 0.0015767100000000, -0.0002128900000000 ] - [ -0.0004967400000000, 0.0010787700000000, -0.0002464100000000 ] - [ 0.0049346800000000, -0.1533167900000000, 0.0054341000000000 ] - [ 0.0003975800000000, -0.0018341800000000, -0.0000447400000000 ] - [ 0.0008897400000000, 0.0038274300000000, -0.0006514500000000 ] - [ 0.0008054700000000, 0.0005877800000000, -0.0005450700000000 ] - [ 0.0000725000000000, 0.0025034900000000, 0.0001427700000000 ] - [ 0.0002571500000000, 0.0007497000000000, 0.0001159600000000 ] - [ -0.0002823500000000, 0.0018487200000000, 0.0001108700000000 ] - [ -0.0003828500000000, 0.0011459900000000, 0.0001258500000000 ] - [ -0.0025840600000000, -0.0012142200000000, -0.0009691900000000 ] - [ 0.0006111200000000, -0.0010879400000000, 0.0002316600000000 ] - [ -0.0012036000000000, 0.0030200600000000, 0.0001299200000000 ] - [ -0.0007504700000000, 0.0010749200000000, -0.0000227600000000 ] - [ -0.0008265100000000, -0.0006648700000000, -0.0001726500000000 ] - [ -0.0000317500000000, 0.0000002100000000, 0.0001343200000000 ] - [ -0.0021733400000000, 0.0005762500000000, -0.0003248500000000 ] - [ 0.0033074200000000, 0.0018218800000000, -0.0003206400000000 ] - [ 0.0001108500000000, -0.0022693700000000, 0.0004910200000000 ] - [ -0.0001302400000000, -0.0012656200000000, 0.0003806400000000 ] - [ -0.0000241300000000, -0.0013918300000000, -0.0000530300000000 ] - [ -0.0004565600000000, -0.0011933400000000, -0.0000775700000000 ] - [ -0.0021874100000000, -0.0005518100000000, 0.0008841100000000 ] - [ 0.0008486200000000, 0.0003992200000000, -0.0004539400000000 ] - [ -0.0000743900000000, -0.0022966600000000, -0.0003310700000000 ] - [ -0.0001218900000000, -0.0007676500000000, -0.0000178200000000 ] - [ 0.0018792800000000, 0.0121196600000000, -0.0055736300000000 ] - [ -0.0000525800000000, 0.0009223300000000, 0.0001991900000000 ] - [ -0.0010680100000000, -0.0014581200000000, -0.0005332000000000 ] - [ 0.0001367200000000, -0.0010719900000000, -0.0000882700000000 ] - [ 0.0003622200000000, -0.0008700700000000, -0.0000015700000000 ] - [ 0.0005579800000000, -0.0010080100000000, 0.0001159400000000 ] - [ 0.0005697200000000, -0.0009343000000000, -0.0000540600000000 ] - [ -0.0003099100000000, -0.0003758900000000, -0.0003295300000000 ] - [ 0.0004348900000000, 0.0000628100000000, 0.0004596000000000 ] - [ -0.0020058000000000, -0.0007939100000000, -0.0004623400000000 ] - [ -0.0093910800000000, 0.0319660600000000, 0.0017514000000000 ] - [ -0.0002353500000000, 0.0008020500000000, 0.0000733800000000 ] - [ 0.0120299700000000, 0.0171067000000000, 0.0045179000000000 ] - [ 0.0001221900000000, 0.0012476700000000, -0.0002815700000000 ] - [ 0.0010313100000000, 0.0020411400000000, -0.0010241400000000 ] - [ -0.0000515100000000, 0.0005170100000000, -0.0003882900000000 ] - [ 0.0028894800000000, -0.0008558100000000, -0.0010728600000000 ] - [ -0.0009092700000000, -0.0003290800000000, -0.0002549600000000 ] - [ 0.0007579600000000, -0.0029524200000000, 0.0003922200000000 ] - [ -0.0006577100000000, -0.0002715000000000, -0.0000028100000000 ] - [ -0.0010998800000000, -0.0018885100000000, 0.0006078500000000 ] - [ -0.0006495100000000, -0.0005616900000000, 0.0003024100000000 ] - [ -0.0012334200000000, -0.0037838800000000, -0.0005149300000000 ] - [ 0.0001763100000000, 0.0000463600000000, 0.0000166000000000 ] - [ 0.0006490300000000, -0.0022426900000000, 0.0003645800000000 ] - [ 0.0005371600000000, -0.0005932100000000, 0.0004555200000000 ] - [ -0.0011595000000000, -0.0003580000000000, -0.0003803200000000 ] - [ 0.0010895000000000, -0.0001507300000000, 0.0000488800000000 ] - [ -0.0003054400000000, -0.0007306800000000, -0.0003108400000000 ] - [ -0.0000194600000000, -0.0008385600000000, -0.0002912400000000 ] - [ 0.0001566700000000, 0.0121096000000000, -0.0031380500000000 ] - [ -0.0008001500000000, 0.0009288300000000, 0.0000079100000000 ] - [ -0.0002598900000000, -0.0013113000000000, 0.0000751300000000 ] - [ 0.0002033800000000, -0.0004916200000000, 0.0001256100000000 ] - [ 0.0006371400000000, -0.0009240900000000, -0.0000489500000000 ] - [ 0.0006180500000000, -0.0006053900000000, -0.0000707600000000 ] - [ -0.0004083100000000, -0.0014742700000000, 0.0009223600000000 ] - [ -0.0004230200000000, -0.0005288100000000, 0.0006202800000000 ] - [ 0.0010197300000000, -0.0028708500000000, 0.0002489200000000 ] - [ -0.0004262800000000, -0.0002336300000000, -0.0000067200000000 ] - [ -0.0013821000000000, -0.0024937700000000, -0.0000626900000000 ] - [ 0.0004451400000000, 0.0005344800000000, 0.0001978700000000 ] - [ 0.0013891300000000, -0.0015166800000000, 0.0000200700000000 ] - [ 0.0000639200000000, -0.0000370700000000, -0.0003799200000000 ] - [ 0.0000319200000000, -0.0011600700000000, -0.0006598700000000 ] - [ -0.0000570500000000, -0.0005500200000000, -0.0006531900000000 ] - [ -0.0237942900000000, 0.0503075700000000, -0.0024165000000000 ] - [ -0.0001304600000000, 0.0003972300000000, 0.0001595100000000 ] - [ 0.0001839500000000, -0.0009497200000000, 0.0001714500000000 ] - [ -0.0000141400000000, -0.0001157300000000, 0.0001699100000000 ] - [ 0.0021008500000000, -0.0016656000000000, 0.0024908700000000 ] - [ 0.0002485700000000, -0.0001731200000000, -0.0004006500000000 ] - [ 0.0005758500000000, 0.0025028800000000, 0.0001026600000000 ] - [ -0.0001933600000000, 0.0003901700000000, -0.0003136400000000 ] - [ -0.0015434800000000, -0.0007026400000000, -0.0012995500000000 ] - [ 0.0001699800000000, -0.0000671800000000, 0.0003071300000000 ] - [ 0.0002389800000000, -0.0022306500000000, -0.0005792000000000 ] - [ 0.0003295000000000, -0.0009415300000000, -0.0002409600000000 ] - [ 0.0024314800000000, 0.0024744700000000, 0.0005764600000000 ] - [ -0.0017242600000000, 0.0008627200000000, -0.0000179800000000 ] - [ -0.0000972800000000, -0.0005516600000000, 0.0001821600000000 ] - [ 0.0003391100000000, 0.0000058200000000, 0.0003543000000000 ] - [ -0.0006397500000000, -0.0012815100000000, -0.0002895600000000 ] - [ 0.0000366700000000, -0.0003792100000000, -0.0000464100000000 ] - [ 0.0051645700000000, 0.0150132600000000, 0.0024882900000000 ] - [ 0.0000177200000000, 0.0011190900000000, 0.0001450300000000 ] - [ 0.0007258100000000, 0.0025522800000000, -0.0000512900000000 ] - [ -0.0011003900000000, 0.0020091500000000, -0.0013598900000000 ] - [ -0.0000358600000000, -0.0011857700000000, 0.0001481800000000 ] - [ -0.0003372200000000, -0.0011853900000000, -0.0000110800000000 ] - [ 0.0016362900000000, -0.0004597600000000, 0.0003670900000000 ] - [ -0.0010895900000000, -0.0009545100000000, -0.0001254000000000 ] - [ -0.0007195000000000, -0.0012772800000000, 0.0001096800000000 ] - [ -0.0001892100000000, -0.0006918500000000, 0.0002256200000000 ] - [ 0.0000422100000000, 0.0022030200000000, 0.0008745900000000 ] - [ 0.0004629900000000, 0.0010767100000000, 0.0006918500000000 ] - [ 0.0001484900000000, -0.0008272500000000, -0.0001439000000000 ] - [ 0.0003089000000000, -0.0006969200000000, -0.0001009600000000 ] - [ -0.0006382800000000, 0.0013697400000000, -0.0004951100000000 ] - [ 0.0025274600000000, 0.0020898100000000, 0.0015187700000000 ] - [ 0.0003387700000000, -0.0012219600000000, 0.0004999300000000 ] - [ 0.0002859200000000, -0.0004444700000000, 0.0004514600000000 ]- atom: 39 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019103800000000, 0.0051958400000000, -0.0023342000000000 ] - [ 0.0001481200000000, 0.0048633000000000, -0.0002376100000000 ] - [ -0.0095710600000000, -0.0056874500000000, 0.0077145100000000 ] - [ 0.0010497900000000, 0.0014792500000000, 0.0001955900000000 ] - [ -0.0011864300000000, 0.0074572000000000, 0.0007034600000000 ] - [ -0.0008920500000000, 0.0077161100000000, -0.0000789500000000 ] - [ 0.0054470100000000, -0.0065203200000000, -0.0060797800000000 ] - [ -0.0011505300000000, 0.0003752100000000, 0.0001127700000000 ] - [ 0.0005447100000000, -0.0022935200000000, 0.0010318100000000 ] - [ -0.0013177900000000, -0.0016162000000000, 0.0001112900000000 ] - [ 0.0004811100000000, -0.0077167900000000, 0.0109099000000000 ] - [ 0.0001489400000000, 0.0005157500000000, -0.0004789200000000 ] - [ -0.0002164900000000, -0.0022484700000000, 0.0000919700000000 ] - [ -0.0000735700000000, -0.0007303800000000, 0.0000869500000000 ] - [ 0.0017869600000000, -0.0016371600000000, -0.0003256800000000 ] - [ -0.0012268000000000, -0.0017009700000000, -0.0006752400000000 ] - [ -0.0008950700000000, -0.0014479700000000, 0.0000613400000000 ] - [ 0.0011756700000000, -0.0020386400000000, 0.0005360200000000 ] - [ -0.0010274800000000, -0.0013275300000000, -0.0007191400000000 ] - [ 0.0009401500000000, -0.0012662000000000, -0.0000582600000000 ] - [ -0.0000344200000000, -0.0025577800000000, 0.0001133800000000 ] - [ 0.0002233300000000, -0.0011372600000000, 0.0002390700000000 ] - [ -0.0035642300000000, -0.0056029100000000, -0.0116877500000000 ] - [ 0.0006062700000000, 0.0014352600000000, 0.0002863900000000 ] - [ -0.0018713500000000, 0.0005636200000000, -0.0001838100000000 ] - [ 0.0012607300000000, 0.0004928600000000, 0.0004292600000000 ] - [ 0.0000238300000000, 0.0064471400000000, 0.0028658100000000 ] - [ 0.0002786100000000, 0.0011339400000000, 0.0001095300000000 ] - [ -0.0074984100000000, -0.0052107400000000, -0.0016014900000000 ] - [ 0.0012296600000000, -0.0001049600000000, 0.0003905800000000 ] - [ 0.0001748200000000, -0.0045149000000000, -0.0000533600000000 ] - [ 0.0003393700000000, -0.0014672800000000, -0.0001528800000000 ] - [ 0.0004389600000000, -0.0032206200000000, 0.0003306200000000 ] - [ 0.0007160700000000, -0.0013735100000000, 0.0003729200000000 ] - [ 0.0094556800000000, -0.0056054700000000, 0.0043389600000000 ] - [ -0.0022376000000000, 0.0002673500000000, 0.0004045700000000 ] - [ -0.0005245600000000, -0.0022867300000000, -0.0001288100000000 ] - [ -0.0004787200000000, -0.0017878900000000, -0.0000952500000000 ] - [ -0.0052473900000000, 0.1529816800000000, -0.0060640900000000 ] - [ 0.0001929300000000, 0.0011525500000000, -0.0000944300000000 ] - [ 0.0008393900000000, -0.0039991000000000, -0.0004058800000000 ] - [ 0.0009209900000000, -0.0007486400000000, -0.0005135500000000 ] - [ 0.0002268600000000, -0.0024221400000000, 0.0000480200000000 ] - [ 0.0000419700000000, -0.0006722300000000, 0.0000736200000000 ] - [ -0.0003149600000000, -0.0025356800000000, 0.0000388700000000 ] - [ -0.0002113300000000, -0.0018322000000000, 0.0000248000000000 ] - [ 0.0011734900000000, -0.0001645300000000, 0.0002374600000000 ] - [ -0.0020152300000000, -0.0002861200000000, -0.0009603600000000 ] - [ 0.0000950600000000, -0.0029360000000000, -0.0002931500000000 ] - [ -0.0003705400000000, -0.0010049800000000, -0.0001402300000000 ] - [ 0.0004916100000000, 0.0006308800000000, 0.0004316200000000 ] - [ -0.0003045700000000, -0.0000324600000000, 0.0001229000000000 ] - [ 0.0023922900000000, -0.0002093700000000, 0.0003039200000000 ] - [ -0.0030799400000000, -0.0014528800000000, 0.0003007200000000 ] - [ -0.0001421700000000, 0.0010486900000000, 0.0002588700000000 ] - [ 0.0001007000000000, 0.0000446800000000, 0.0003697000000000 ] - [ -0.0003660200000000, 0.0009586900000000, -0.0001938000000000 ] - [ 0.0000640400000000, 0.0007609200000000, -0.0001695500000000 ] - [ 0.0028272600000000, 0.0002907300000000, -0.0021691600000000 ] - [ -0.0002229500000000, -0.0006555800000000, -0.0008236000000000 ] - [ -0.0000552200000000, 0.0016027700000000, 0.0003354000000000 ] - [ -0.0000055800000000, 0.0000706400000000, 0.0000203700000000 ] - [ -0.0021064200000000, -0.0118999300000000, 0.0060081300000000 ] - [ -0.0001533600000000, -0.0006247500000000, 0.0001395400000000 ] - [ 0.0002133800000000, 0.0001895300000000, -0.0001882300000000 ] - [ -0.0009935200000000, -0.0001966600000000, -0.0006332900000000 ] - [ 0.0007568400000000, 0.0009370800000000, 0.0001657600000000 ] - [ 0.0005593000000000, 0.0010747800000000, 0.0000476200000000 ] - [ -0.0002328400000000, 0.0009050300000000, -0.0002015100000000 ] - [ 0.0006444100000000, 0.0003474900000000, 0.0000727800000000 ] - [ -0.0012178700000000, 0.0002915300000000, 0.0000124800000000 ] - [ 0.0012145400000000, 0.0011467800000000, 0.0009313800000000 ] - [ 0.0086465300000000, -0.0292466500000000, -0.0012841000000000 ] - [ 0.0004998600000000, -0.0003768500000000, 0.0001958400000000 ] - [ -0.0129465400000000, -0.0169155700000000, -0.0055936300000000 ] - [ -0.0005998400000000, -0.0009560400000000, -0.0006206600000000 ] - [ -0.0003361200000000, -0.0022305800000000, 0.0005405900000000 ] - [ 0.0007478500000000, -0.0007250000000000, -0.0000860000000000 ] - [ -0.0027559600000000, 0.0001613500000000, 0.0010675000000000 ] - [ 0.0010367300000000, -0.0003610500000000, 0.0002534900000000 ] - [ -0.0015337700000000, 0.0028112200000000, -0.0003698500000000 ] - [ -0.0001122000000000, 0.0001308500000000, 0.0000260600000000 ] - [ -0.0003003600000000, 0.0012981600000000, -0.0000465300000000 ] - [ -0.0007508700000000, -0.0000318400000000, 0.0002615000000000 ] - [ 0.0011702900000000, 0.0039632500000000, 0.0004109100000000 ] - [ -0.0002445900000000, 0.0001076900000000, -0.0001234900000000 ] - [ 0.0002077900000000, 0.0009762800000000, 0.0003567400000000 ] - [ 0.0003186500000000, -0.0006708400000000, 0.0002665700000000 ] - [ 0.0009499900000000, 0.0014476600000000, 0.0000670900000000 ] - [ -0.0013051600000000, 0.0012408700000000, -0.0003639100000000 ] - [ 0.0001445100000000, 0.0010403400000000, -0.0002114400000000 ] - [ -0.0001438700000000, 0.0011480500000000, -0.0002315500000000 ] - [ -0.0014395100000000, -0.0117089600000000, 0.0031209900000000 ] - [ -0.0005287700000000, -0.0005792200000000, 0.0001063500000000 ] - [ 0.0000263300000000, 0.0016858500000000, -0.0000544100000000 ] - [ -0.0004348800000000, 0.0008678500000000, -0.0001045200000000 ] - [ 0.0006925100000000, 0.0012740400000000, -0.0000636000000000 ] - [ 0.0007101300000000, 0.0009551100000000, -0.0000425500000000 ] - [ -0.0002174800000000, 0.0012187900000000, 0.0003577200000000 ] - [ -0.0002027900000000, 0.0002756500000000, 0.0006585800000000 ] - [ -0.0009491300000000, 0.0030253500000000, -0.0001414800000000 ] - [ 0.0004930900000000, 0.0003899100000000, 0.0001148800000000 ] - [ 0.0015861700000000, 0.0035750700000000, 0.0003764900000000 ] - [ -0.0002322100000000, 0.0005594600000000, 0.0001176300000000 ] - [ -0.0006047500000000, 0.0018689900000000, -0.0004930200000000 ] - [ 0.0007226400000000, 0.0003869500000000, -0.0000899100000000 ] - [ -0.0002331500000000, 0.0012269900000000, -0.0006896600000000 ] - [ -0.0001448000000000, 0.0006173500000000, -0.0006962700000000 ] - [ 0.0260563000000000, -0.0537303300000000, 0.0028879300000000 ] - [ 0.0005206800000000, -0.0008319100000000, 0.0000885800000000 ] - [ -0.0001484500000000, 0.0020484800000000, 0.0002499000000000 ] - [ 0.0000507900000000, 0.0012142800000000, 0.0002523900000000 ] - [ -0.0006948500000000, 0.0010706000000000, -0.0030399800000000 ] - [ 0.0011507100000000, -0.0004159100000000, -0.0001624300000000 ] - [ -0.0001743500000000, -0.0029204000000000, -0.0003257800000000 ] - [ 0.0005863100000000, -0.0007914000000000, 0.0000847700000000 ] - [ 0.0008397700000000, -0.0003429400000000, 0.0017394000000000 ] - [ -0.0008775700000000, -0.0009722500000000, 0.0001311200000000 ] - [ 0.0004686700000000, 0.0011926800000000, 0.0001407500000000 ] - [ 0.0003782100000000, -0.0000938000000000, -0.0001960500000000 ] - [ -0.0023950300000000, -0.0036835000000000, -0.0013238500000000 ] - [ 0.0017568800000000, -0.0020780700000000, -0.0007333400000000 ] - [ 0.0001366500000000, 0.0017764800000000, 0.0003769900000000 ] - [ -0.0002974300000000, 0.0012192400000000, 0.0002055300000000 ] - [ 0.0003789100000000, 0.0017077100000000, 0.0000216900000000 ] - [ -0.0003000200000000, 0.0008021200000000, -0.0002225500000000 ] - [ -0.0046092300000000, -0.0145121200000000, -0.0018268300000000 ] - [ 0.0001406400000000, -0.0008066000000000, 0.0003779100000000 ] - [ -0.0007636200000000, -0.0014461100000000, -0.0003689600000000 ] - [ 0.0010662300000000, -0.0009053300000000, 0.0009433200000000 ] - [ -0.0003591300000000, 0.0007863700000000, 0.0000815500000000 ] - [ -0.0000600500000000, 0.0007858800000000, 0.0002396200000000 ] - [ -0.0008612200000000, 0.0003222000000000, -0.0003878900000000 ] - [ 0.0018568200000000, 0.0008162500000000, 0.0001034900000000 ] - [ 0.0000235700000000, 0.0010677300000000, 0.0003655600000000 ] - [ -0.0005082000000000, 0.0004816800000000, 0.0002494500000000 ] - [ 0.0001480100000000, -0.0021477000000000, 0.0004747500000000 ] - [ -0.0002607500000000, -0.0010108800000000, 0.0006600500000000 ] - [ 0.0000583000000000, 0.0011238900000000, -0.0001935600000000 ] - [ -0.0001039900000000, 0.0009935400000000, -0.0002365900000000 ] - [ 0.0005947400000000, -0.0001499700000000, -0.0000641900000000 ] - [ -0.0025719700000000, -0.0008717900000000, -0.0020792900000000 ] - [ 0.0001385300000000, 0.0015129300000000, 0.0004036400000000 ] - [ 0.0001908500000000, 0.0007360400000000, 0.0004518000000000 ]- atom: 39 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ 0.0031070200000000, 0.0009736800000000, 0.0013776100000000 ] - [ -0.0008900400000000, 0.0006477000000000, 0.0020186500000000 ] - [ -0.0071651400000000, -0.0108711200000000, -0.0001448900000000 ] - [ 0.0001177500000000, 0.0003726900000000, -0.0003158400000000 ] - [ -0.0063078200000000, 0.0005864600000000, -0.0009032400000000 ] - [ 0.0007866900000000, 0.0006587300000000, -0.0020508200000000 ] - [ -0.0019988200000000, 0.0048689100000000, 0.0011178800000000 ] - [ -0.0001752200000000, 0.0003617000000000, 0.0002483300000000 ] - [ -0.0003808700000000, -0.0003038600000000, 0.0003211000000000 ] - [ -0.0006744300000000, -0.0001536000000000, 0.0006277300000000 ] - [ 0.0032342100000000, -0.0094915800000000, 0.0014071600000000 ] - [ 0.0004542500000000, 0.0000261600000000, -0.0002910800000000 ] - [ -0.0000176600000000, 0.0006238900000000, 0.0000742600000000 ] - [ -0.0000553100000000, 0.0006872500000000, 0.0000543000000000 ] - [ 0.0000462900000000, 0.0005214300000000, -0.0003416900000000 ] - [ 0.0002640200000000, 0.0001727500000000, -0.0007243800000000 ] - [ -0.0002252900000000, 0.0001969600000000, 0.0000637000000000 ] - [ -0.0000053900000000, 0.0003137000000000, 0.0000000200000000 ] - [ -0.0001878200000000, 0.0006087100000000, -0.0002122000000000 ] - [ -0.0001235600000000, 0.0004334500000000, -0.0000842700000000 ] - [ 0.0002480600000000, 0.0002424200000000, 0.0002721800000000 ] - [ 0.0001763000000000, 0.0002769000000000, 0.0002603000000000 ] - [ 0.0033629700000000, 0.0090862800000000, 0.0046619600000000 ] - [ 0.0001318200000000, 0.0005296500000000, 0.0003836000000000 ] - [ -0.0008558400000000, 0.0001045300000000, 0.0016441200000000 ] - [ 0.0003802100000000, -0.0002045500000000, 0.0001126600000000 ] - [ -0.0055414800000000, 0.0024707200000000, 0.0243793600000000 ] - [ 0.0006665200000000, -0.0003200700000000, 0.0002265900000000 ] - [ 0.0003781000000000, 0.0000823900000000, -0.0020636700000000 ] - [ -0.0008622100000000, -0.0003885400000000, 0.0000697900000000 ] - [ 0.0006245900000000, -0.0006670600000000, -0.0003367600000000 ] - [ 0.0002979700000000, -0.0007376300000000, -0.0001497900000000 ] - [ 0.0005860200000000, -0.0008370000000000, 0.0006716600000000 ] - [ 0.0007294100000000, -0.0006948000000000, 0.0003647300000000 ] - [ -0.0010514500000000, 0.0000010300000000, -0.0020508600000000 ] - [ -0.0013886500000000, -0.0002232600000000, 0.0002850400000000 ] - [ -0.0005016400000000, -0.0004165700000000, -0.0001374100000000 ] - [ -0.0004826600000000, -0.0004150200000000, -0.0001625800000000 ] - [ 0.0335317600000000, 0.0036776500000000, -0.1143806500000000 ] - [ 0.0000551800000000, -0.0003442100000000, -0.0001644800000000 ] - [ 0.0008882700000000, -0.0000809300000000, -0.0008902000000000 ] - [ 0.0008269200000000, -0.0000839200000000, -0.0005487800000000 ] - [ 0.0001926700000000, -0.0001601500000000, 0.0003690900000000 ] - [ 0.0001407300000000, 0.0000168500000000, 0.0001008000000000 ] - [ -0.0002906400000000, -0.0003748300000000, 0.0000369100000000 ] - [ -0.0003102200000000, -0.0004144100000000, 0.0000669800000000 ] - [ -0.0011201800000000, -0.0007588400000000, 0.0013815100000000 ] - [ -0.0004422300000000, -0.0005195000000000, -0.0002974400000000 ] - [ 0.0011710100000000, -0.0002719700000000, -0.0053823300000000 ] - [ -0.0007338400000000, 0.0001517100000000, -0.0001419900000000 ] - [ 0.0000134900000000, -0.0000803000000000, -0.0006595600000000 ] - [ -0.0002181000000000, -0.0000153500000000, 0.0001046700000000 ] - [ -0.0004208500000000, 0.0000694800000000, 0.0004881400000000 ] - [ 0.0011409500000000, -0.0004644900000000, 0.0002074900000000 ] - [ -0.0000429100000000, -0.0005570600000000, 0.0004135700000000 ] - [ 0.0000078300000000, -0.0005895100000000, 0.0003795700000000 ] - [ -0.0001934200000000, -0.0002239200000000, -0.0000653500000000 ] - [ -0.0001730400000000, -0.0001274300000000, -0.0001101400000000 ] - [ 0.0018618000000000, 0.0011900000000000, -0.0000988500000000 ] - [ 0.0002430400000000, -0.0001325800000000, -0.0003999200000000 ] - [ -0.0000888100000000, -0.0005158500000000, -0.0000419700000000 ] - [ -0.0000603600000000, -0.0003507300000000, 0.0000032400000000 ] - [ -0.0084720100000000, -0.0046692800000000, 0.0357705800000000 ] - [ -0.0000906900000000, 0.0001373900000000, 0.0001806100000000 ] - [ -0.0002860300000000, -0.0005315700000000, -0.0005749900000000 ] - [ -0.0005260300000000, -0.0004776600000000, -0.0003749900000000 ] - [ 0.0005787300000000, 0.0000604400000000, 0.0000655900000000 ] - [ 0.0005399900000000, 0.0000751200000000, 0.0000789500000000 ] - [ 0.0001926500000000, -0.0000585200000000, -0.0003825200000000 ] - [ 0.0001287700000000, -0.0000360100000000, -0.0001270900000000 ] - [ -0.0003865600000000, 0.0001939100000000, 0.0000268600000000 ] - [ -0.0009003800000000, -0.0002066500000000, 0.0000042500000000 ] - [ -0.0035344300000000, 0.0040053500000000, 0.0090981900000000 ] - [ 0.0002972200000000, 0.0001896500000000, 0.0002080500000000 ] - [ 0.0006429900000000, 0.0017746600000000, 0.0092599300000000 ] - [ -0.0000198800000000, 0.0001398700000000, -0.0004130200000000 ] - [ 0.0020886900000000, -0.0014930600000000, -0.0049997300000000 ] - [ 0.0002651300000000, -0.0001372600000000, -0.0002415100000000 ] - [ 0.0005882300000000, -0.0009150500000000, -0.0000768700000000 ] - [ -0.0000087100000000, -0.0003894600000000, 0.0002873100000000 ] - [ -0.0006790700000000, 0.0000427900000000, 0.0006846000000000 ] - [ -0.0003319200000000, -0.0000639000000000, 0.0000340300000000 ] - [ -0.0006025100000000, 0.0001135400000000, 0.0003549200000000 ] - [ -0.0007005700000000, -0.0002931800000000, 0.0002858400000000 ] - [ -0.0002812000000000, -0.0003527000000000, 0.0006449000000000 ] - [ 0.0000109100000000, 0.0000535800000000, -0.0000465500000000 ] - [ 0.0006342300000000, -0.0003176700000000, -0.0011164700000000 ] - [ 0.0004227500000000, -0.0006288800000000, 0.0003582200000000 ] - [ -0.0001206500000000, 0.0005473500000000, 0.0000585900000000 ] - [ 0.0000191000000000, 0.0002995200000000, -0.0001349900000000 ] - [ -0.0000730400000000, 0.0001730000000000, -0.0002423100000000 ] - [ -0.0000850100000000, 0.0001837700000000, -0.0002674100000000 ] - [ -0.0100940700000000, -0.0035402500000000, 0.0311623400000000 ] - [ -0.0006588100000000, 0.0001592900000000, 0.0000555000000000 ] - [ -0.0001539700000000, 0.0002438600000000, 0.0000426600000000 ] - [ -0.0000806300000000, 0.0001830000000000, 0.0000205600000000 ] - [ 0.0006631100000000, 0.0002158100000000, -0.0000559900000000 ] - [ 0.0006743800000000, 0.0002149800000000, -0.0000681500000000 ] - [ -0.0003580200000000, 0.0000060000000000, 0.0006728700000000 ] - [ -0.0002833700000000, -0.0001071900000000, 0.0006364300000000 ] - [ 0.0000497000000000, -0.0003071800000000, 0.0002952100000000 ] - [ 0.0001669600000000, 0.0001412300000000, 0.0001202700000000 ] - [ -0.0004504400000000, 0.0006927100000000, 0.0012523900000000 ] - [ 0.0001708200000000, 0.0005320500000000, 0.0001755800000000 ] - [ 0.0003979700000000, 0.0004158300000000, -0.0008767200000000 ] - [ 0.0003763200000000, 0.0001446800000000, -0.0002541300000000 ] - [ -0.0001077600000000, 0.0000691800000000, -0.0007124700000000 ] - [ -0.0000975500000000, 0.0000513700000000, -0.0006772500000000 ] - [ -0.0042272900000000, 0.0031332100000000, 0.0086389500000000 ] - [ 0.0002622000000000, -0.0002018500000000, 0.0001697600000000 ] - [ 0.0000145300000000, 0.0006307000000000, 0.0001587000000000 ] - [ 0.0000207800000000, 0.0005584300000000, 0.0002099300000000 ] - [ -0.0000379900000000, 0.0008428500000000, -0.0002840300000000 ] - [ 0.0008095200000000, -0.0002960000000000, -0.0004660700000000 ] - [ 0.0012692800000000, -0.0005894700000000, -0.0054008000000000 ] - [ 0.0000095100000000, -0.0002960500000000, -0.0001725500000000 ] - [ -0.0007002100000000, -0.0009538000000000, -0.0000698200000000 ] - [ -0.0002853400000000, -0.0005657300000000, -0.0001163500000000 ] - [ 0.0003362800000000, -0.0006307700000000, -0.0002715400000000 ] - [ 0.0003707700000000, -0.0005014500000000, -0.0002118500000000 ] - [ -0.0003514200000000, -0.0003852100000000, 0.0006394600000000 ] - [ 0.0009260000000000, -0.0006248500000000, -0.0000712500000000 ] - [ 0.0000149500000000, 0.0006980400000000, 0.0002239300000000 ] - [ 0.0000061400000000, 0.0006364800000000, 0.0002794300000000 ] - [ -0.0001381400000000, 0.0002084900000000, -0.0000849000000000 ] - [ -0.0001263700000000, 0.0002153500000000, -0.0001441700000000 ] - [ -0.0018124800000000, 0.0005852000000000, 0.0105669900000000 ] - [ 0.0005016200000000, -0.0000834000000000, 0.0003625800000000 ] - [ 0.0000878500000000, 0.0005513400000000, -0.0011621600000000 ] - [ -0.0004342300000000, 0.0003700100000000, -0.0004609300000000 ] - [ -0.0001850500000000, -0.0001853600000000, 0.0000706400000000 ] - [ -0.0002157400000000, -0.0001652400000000, 0.0001088400000000 ] - [ 0.0003372200000000, -0.0000586800000000, 0.0002060600000000 ] - [ 0.0013959300000000, 0.0007610000000000, 0.0001305900000000 ] - [ -0.0003217500000000, -0.0000671700000000, 0.0001865200000000 ] - [ -0.0003648600000000, -0.0000755400000000, 0.0002306600000000 ] - [ 0.0012183500000000, -0.0006533400000000, -0.0042984500000000 ] - [ -0.0000910800000000, -0.0000381900000000, 0.0005611200000000 ] - [ 0.0001096100000000, 0.0001826200000000, -0.0001679700000000 ] - [ 0.0000927900000000, 0.0001806900000000, -0.0001599000000000 ] - [ 0.0002248900000000, 0.0006429400000000, -0.0008249500000000 ] - [ -0.0013926300000000, 0.0011528100000000, -0.0005457000000000 ] - [ 0.0002121300000000, 0.0001549900000000, 0.0004769500000000 ] - [ 0.0002589700000000, 0.0001693600000000, 0.0004567100000000 ]- atom: 39 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0035330300000000, -0.0003398500000000, -0.0018652700000000 ] - [ 0.0005039900000000, -0.0000133200000000, -0.0025248200000000 ] - [ 0.0073983300000000, 0.0116742600000000, -0.0000718900000000 ] - [ 0.0000965300000000, 0.0003743300000000, 0.0000539900000000 ] - [ 0.0063455800000000, 0.0008684100000000, 0.0007235000000000 ] - [ -0.0007524100000000, 0.0008031800000000, 0.0019013100000000 ] - [ 0.0015863500000000, -0.0042972500000000, -0.0003873600000000 ] - [ -0.0002319600000000, 0.0002297500000000, 0.0004465800000000 ] - [ -0.0006688100000000, 0.0003091900000000, 0.0003845400000000 ] - [ -0.0003727100000000, 0.0001596000000000, 0.0000755300000000 ] - [ -0.0021637400000000, 0.0094467200000000, -0.0021403600000000 ] - [ 0.0005921400000000, -0.0000211300000000, -0.0004098800000000 ] - [ -0.0000455300000000, 0.0008311100000000, 0.0000701000000000 ] - [ -0.0000073300000000, 0.0007674500000000, 0.0000895000000000 ] - [ 0.0003637400000000, 0.0000674300000000, -0.0003530400000000 ] - [ 0.0001442200000000, 0.0004153500000000, 0.0000325100000000 ] - [ 0.0000135900000000, 0.0005513200000000, 0.0001993400000000 ] - [ -0.0002075000000000, 0.0004362000000000, 0.0002640900000000 ] - [ -0.0001899800000000, 0.0004147700000000, -0.0003011300000000 ] - [ -0.0002531700000000, 0.0005888000000000, -0.0004306200000000 ] - [ 0.0001597600000000, 0.0003960300000000, 0.0002410100000000 ] - [ 0.0002314100000000, 0.0003611800000000, 0.0002536800000000 ] - [ -0.0029522300000000, -0.0080050500000000, -0.0041749900000000 ] - [ 0.0002427500000000, 0.0004936400000000, 0.0001337600000000 ] - [ 0.0005423100000000, -0.0000453300000000, -0.0018303000000000 ] - [ -0.0006806100000000, 0.0002780200000000, -0.0002999700000000 ] - [ 0.0065206900000000, -0.0031741800000000, -0.0240446600000000 ] - [ 0.0003135100000000, -0.0003882900000000, 0.0001141800000000 ] - [ -0.0011286800000000, -0.0014452600000000, 0.0023208400000000 ] - [ 0.0000905800000000, -0.0010046500000000, 0.0001915500000000 ] - [ 0.0001470100000000, -0.0007302500000000, 0.0000771600000000 ] - [ 0.0004758200000000, -0.0006550700000000, -0.0001099900000000 ] - [ 0.0008199100000000, -0.0005379700000000, 0.0000474100000000 ] - [ 0.0006760500000000, -0.0006771500000000, 0.0003536100000000 ] - [ -0.0006511500000000, -0.0001814600000000, 0.0031184300000000 ] - [ -0.0003349800000000, 0.0000662000000000, 0.0007718500000000 ] - [ -0.0004771200000000, -0.0002944200000000, -0.0001976500000000 ] - [ -0.0004952200000000, -0.0002950300000000, -0.0001723200000000 ] - [ -0.0328686300000000, -0.0048617200000000, 0.1143632600000000 ] - [ 0.0005354000000000, -0.0003390800000000, 0.0000255700000000 ] - [ 0.0008368700000000, -0.0000781100000000, -0.0001695300000000 ] - [ 0.0008984500000000, -0.0000812700000000, -0.0005089900000000 ] - [ 0.0001057000000000, 0.0002417100000000, -0.0001759200000000 ] - [ 0.0001585400000000, 0.0000600400000000, 0.0000929100000000 ] - [ -0.0003050300000000, -0.0003135700000000, 0.0001139600000000 ] - [ -0.0002853900000000, -0.0002732600000000, 0.0000847500000000 ] - [ -0.0003010400000000, -0.0005986400000000, -0.0021119700000000 ] - [ -0.0009635700000000, -0.0008524800000000, -0.0004301300000000 ] - [ -0.0023006800000000, 0.0003237700000000, 0.0052108900000000 ] - [ -0.0003855700000000, -0.0000865400000000, -0.0000220100000000 ] - [ -0.0003501000000000, 0.0000556000000000, 0.0009166400000000 ] - [ -0.0001186300000000, -0.0000163300000000, 0.0001534600000000 ] - [ 0.0006377400000000, 0.0003003900000000, -0.0005069800000000 ] - [ -0.0009086400000000, 0.0008409900000000, -0.0002378800000000 ] - [ 0.0000129200000000, -0.0006667800000000, 0.0003369900000000 ] - [ -0.0000378600000000, -0.0006333500000000, 0.0003708700000000 ] - [ -0.0001989200000000, -0.0002106900000000, -0.0001814700000000 ] - [ -0.0002192800000000, -0.0003080700000000, -0.0001369900000000 ] - [ -0.0012328800000000, -0.0014380600000000, -0.0011621800000000 ] - [ 0.0003825000000000, -0.0001241300000000, -0.0008769600000000 ] - [ -0.0000385600000000, -0.0001819500000000, 0.0000433100000000 ] - [ -0.0000677900000000, -0.0003466800000000, -0.0000001100000000 ] - [ 0.0091267500000000, 0.0056916400000000, -0.0385296400000000 ] - [ -0.0001160300000000, 0.0001571900000000, 0.0001584000000000 ] - [ -0.0005691200000000, -0.0007349200000000, -0.0001457400000000 ] - [ -0.0003304500000000, -0.0007899600000000, -0.0003446100000000 ] - [ 0.0005396700000000, 0.0000047200000000, 0.0000990000000000 ] - [ 0.0005782100000000, -0.0000101000000000, 0.0000859700000000 ] - [ 0.0001442300000000, 0.0000243800000000, 0.0001277600000000 ] - [ 0.0002062000000000, 0.0000046800000000, -0.0001285400000000 ] - [ -0.0003978300000000, 0.0001556600000000, 0.0004450500000000 ] - [ 0.0001116800000000, 0.0005566800000000, 0.0004680100000000 ] - [ 0.0038597300000000, -0.0036958700000000, -0.0088723000000000 ] - [ -0.0000331300000000, 0.0002316600000000, 0.0000615500000000 ] - [ -0.0009347700000000, -0.0013774500000000, -0.0100544200000000 ] - [ -0.0004591300000000, 0.0001506100000000, -0.0004907900000000 ] - [ -0.0013812600000000, 0.0012592700000000, 0.0045180500000000 ] - [ 0.0004307300000000, -0.0000743500000000, -0.0002318900000000 ] - [ -0.0004648600000000, 0.0002167900000000, 0.0000860900000000 ] - [ 0.0001386400000000, -0.0003049600000000, -0.0002880800000000 ] - [ -0.0000915200000000, -0.0001880200000000, -0.0006580400000000 ] - [ -0.0004392100000000, -0.0000764800000000, -0.0000098300000000 ] - [ -0.0007986400000000, -0.0007061200000000, 0.0002125600000000 ] - [ -0.0007000500000000, -0.0003004600000000, 0.0002790500000000 ] - [ 0.0002109700000000, 0.0004940400000000, -0.0007524500000000 ] - [ -0.0000797000000000, 0.0001005000000000, -0.0000598700000000 ] - [ 0.0002205200000000, -0.0009550000000000, 0.0018399500000000 ] - [ 0.0004329800000000, -0.0006383900000000, 0.0003636600000000 ] - [ -0.0000941600000000, 0.0005415300000000, -0.0003722500000000 ] - [ -0.0002315400000000, 0.0007914000000000, -0.0001802200000000 ] - [ -0.0000896600000000, 0.0001348900000000, -0.0002799200000000 ] - [ -0.0000775800000000, 0.0001240500000000, -0.0002551600000000 ] - [ 0.0079172200000000, 0.0033648100000000, -0.0282694400000000 ] - [ -0.0006700600000000, 0.0001885400000000, 0.0000595000000000 ] - [ -0.0000779900000000, 0.0001309800000000, -0.0000212100000000 ] - [ -0.0001516600000000, 0.0001912600000000, 0.0000009200000000 ] - [ 0.0006659800000000, 0.0001322300000000, -0.0000569200000000 ] - [ 0.0006541900000000, 0.0001329600000000, -0.0000446100000000 ] - [ -0.0002670200000000, -0.0002618300000000, 0.0006049700000000 ] - [ -0.0003427400000000, -0.0001483700000000, 0.0006430800000000 ] - [ 0.0000160600000000, 0.0004683800000000, -0.0001870100000000 ] - [ -0.0000998700000000, 0.0000118200000000, -0.0000120500000000 ] - [ 0.0006663000000000, 0.0004027600000000, -0.0009379300000000 ] - [ 0.0000408600000000, 0.0005590900000000, 0.0001409400000000 ] - [ 0.0003876900000000, -0.0000631900000000, 0.0004049700000000 ] - [ 0.0004094500000000, 0.0002056100000000, -0.0002158400000000 ] - [ -0.0000934900000000, -0.0000046000000000, -0.0006362100000000 ] - [ -0.0001041900000000, 0.0000136200000000, -0.0006714400000000 ] - [ 0.0044265000000000, -0.0032451200000000, -0.0083674100000000 ] - [ 0.0001287600000000, -0.0002336700000000, 0.0000800000000000 ] - [ 0.0000217100000000, 0.0004661800000000, 0.0002635700000000 ] - [ 0.0000155700000000, 0.0005386600000000, 0.0002130600000000 ] - [ 0.0014441600000000, -0.0014413300000000, -0.0002882800000000 ] - [ 0.0005891900000000, -0.0002973500000000, -0.0000963300000000 ] - [ -0.0008878300000000, 0.0002067800000000, 0.0051786900000000 ] - [ 0.0003854200000000, -0.0001058200000000, -0.0000562400000000 ] - [ -0.0000046800000000, -0.0000858400000000, 0.0004974600000000 ] - [ -0.0004241500000000, -0.0004709900000000, 0.0005544800000000 ] - [ 0.0003711400000000, -0.0004074900000000, -0.0001628100000000 ] - [ 0.0003365700000000, -0.0005365500000000, -0.0002247400000000 ] - [ 0.0003692800000000, -0.0008343300000000, -0.0013920700000000 ] - [ -0.0008975300000000, -0.0005987700000000, -0.0006864500000000 ] - [ 0.0000260000000000, 0.0005242000000000, 0.0003364900000000 ] - [ 0.0000350600000000, 0.0005867700000000, 0.0002809200000000 ] - [ -0.0001251200000000, 0.0002116000000000, -0.0001835700000000 ] - [ -0.0001363800000000, 0.0002059500000000, -0.0001242100000000 ] - [ 0.0018569200000000, -0.0003442500000000, -0.0100970300000000 ] - [ -0.0003395100000000, 0.0003899500000000, 0.0001640400000000 ] - [ -0.0001173200000000, 0.0005450200000000, 0.0007438300000000 ] - [ 0.0003931800000000, 0.0007260000000000, 0.0000494800000000 ] - [ -0.0002110100000000, -0.0002164100000000, 0.0001595700000000 ] - [ -0.0001810200000000, -0.0002367400000000, 0.0001212500000000 ] - [ 0.0004330900000000, -0.0000798900000000, -0.0002277800000000 ] - [ -0.0006286200000000, -0.0009048200000000, -0.0001533200000000 ] - [ -0.0003752800000000, -0.0001439700000000, 0.0002888900000000 ] - [ -0.0003325500000000, -0.0001360400000000, 0.0002450800000000 ] - [ -0.0009998800000000, 0.0007303400000000, 0.0056636200000000 ] - [ 0.0002905900000000, 0.0001027600000000, 0.0007923300000000 ] - [ 0.0000957300000000, 0.0001123000000000, -0.0001684700000000 ] - [ 0.0001123400000000, 0.0001138900000000, -0.0001768000000000 ] - [ -0.0002618700000000, 0.0005813400000000, 0.0002670900000000 ] - [ 0.0013425800000000, 0.0000727500000000, -0.0000029500000000 ] - [ 0.0002651600000000, 0.0001343800000000, 0.0004268400000000 ] - [ 0.0002177300000000, 0.0001197800000000, 0.0004469500000000 ]- atom: 49 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0022404400000000, -0.0001911200000000, -0.0003475700000000 ] - [ 0.0144678400000000, -0.0053977300000000, 0.0026161700000000 ] - [ 0.0083226000000000, -0.0009278100000000, -0.0025945200000000 ] - [ -0.0014546200000000, 0.0000917800000000, -0.0006328200000000 ] - [ -0.0017913300000000, -0.0000099500000000, -0.0012903600000000 ] - [ 0.0004609800000000, 0.0018873100000000, 0.0013173400000000 ] - [ 0.0013592500000000, -0.0002040100000000, 0.0009520800000000 ] - [ -0.0012400100000000, 0.0003584300000000, 0.0000839300000000 ] - [ -0.0011226400000000, 0.0007476800000000, 0.0003333100000000 ] - [ -0.0000765000000000, -0.0010184200000000, 0.0002437200000000 ] - [ 0.0023506000000000, -0.0008934900000000, -0.0001292000000000 ] - [ -0.0005701500000000, 0.0002170500000000, -0.0006407300000000 ] - [ 0.0003612100000000, 0.0009733500000000, 0.0001930500000000 ] - [ -0.0003871500000000, 0.0007880700000000, -0.0000343200000000 ] - [ -0.0005265800000000, 0.0010083600000000, -0.0006910500000000 ] - [ 0.0009595600000000, -0.0004264900000000, 0.0001351700000000 ] - [ -0.0004234900000000, 0.0003077600000000, 0.0000195500000000 ] - [ 0.0002461100000000, 0.0007531200000000, 0.0002594600000000 ] - [ -0.0005023000000000, 0.0003783800000000, -0.0003154300000000 ] - [ 0.0002087400000000, 0.0011586600000000, -0.0001778900000000 ] - [ 0.0006778500000000, 0.0005362200000000, 0.0003632700000000 ] - [ -0.0001975900000000, 0.0003904300000000, 0.0001612600000000 ] - [ 0.0067119500000000, 0.0007736500000000, 0.0011179700000000 ] - [ -0.0015066800000000, 0.0002275200000000, -0.0000956500000000 ] - [ -0.0006900500000000, -0.0012061600000000, -0.0002842500000000 ] - [ -0.0007304400000000, 0.0015647900000000, 0.0005442400000000 ] - [ 0.0271386800000000, 0.0093632700000000, 0.0034725600000000 ] - [ -0.0015022700000000, -0.0003911100000000, -0.0001920600000000 ] - [ -0.0007827900000000, -0.0015463900000000, 0.0000175100000000 ] - [ -0.0004247900000000, 0.0007436000000000, -0.0007077400000000 ] - [ 0.0007305900000000, -0.0000929800000000, 0.0000645900000000 ] - [ -0.0001510700000000, -0.0009054200000000, -0.0003131600000000 ] - [ 0.0010392500000000, -0.0008815400000000, 0.0004498200000000 ] - [ 0.0003301000000000, -0.0003747600000000, 0.0002726200000000 ] - [ -0.0016661000000000, 0.0005370100000000, 0.0003534200000000 ] - [ -0.0016310000000000, -0.0020280300000000, -0.0004021700000000 ] - [ -0.0005477800000000, -0.0001468800000000, -0.0002031300000000 ] - [ -0.0004853900000000, -0.0003510700000000, -0.0001462500000000 ] - [ 0.0013962800000000, -0.0009949600000000, 0.0020112800000000 ] - [ -0.0013929500000000, -0.0005339200000000, -0.0006996400000000 ] - [ 0.0011692400000000, -0.0002390400000000, -0.0004568100000000 ] - [ 0.0005067400000000, 0.0002308700000000, -0.0006388500000000 ] - [ 0.0006181200000000, 0.0011062600000000, 0.0001078900000000 ] - [ -0.0004264300000000, -0.0002296700000000, -0.0000153000000000 ] - [ -0.0003576900000000, -0.0001459300000000, 0.0000791700000000 ] - [ -0.0002784300000000, -0.0003416900000000, 0.0000603800000000 ] - [ -0.0041003500000000, 0.0018318200000000, -0.0005991400000000 ] - [ -0.0027477400000000, -0.0037427800000000, -0.0000190300000000 ] - [ -0.0833028800000000, -0.0016019700000000, -0.0057907200000000 ] - [ 0.0003789700000000, 0.0000095400000000, 0.0001048900000000 ] - [ -0.0004186700000000, 0.0004467800000000, 0.0000205000000000 ] - [ 0.0003352100000000, -0.0004120400000000, 0.0002106500000000 ] - [ 0.0007384700000000, 0.0005468300000000, 0.0002059800000000 ] - [ -0.0012154800000000, -0.0009671100000000, 0.0005358000000000 ] - [ -0.0001982000000000, -0.0006658200000000, 0.0003212900000000 ] - [ 0.0001510600000000, -0.0006771700000000, 0.0004298700000000 ] - [ -0.0001086300000000, -0.0004398700000000, -0.0001044200000000 ] - [ -0.0002885200000000, -0.0000421100000000, -0.0001311100000000 ] - [ 0.0004229700000000, 0.0003961600000000, -0.0004757900000000 ] - [ 0.0005871400000000, -0.0006351000000000, -0.0006183600000000 ] - [ -0.0002209400000000, -0.0003049000000000, -0.0000503000000000 ] - [ 0.0001106100000000, -0.0004590500000000, 0.0000488500000000 ] - [ 0.0073134600000000, 0.0032728400000000, -0.0092116100000000 ] - [ 0.0007840100000000, 0.0003727600000000, 0.0004666300000000 ] - [ -0.0002561700000000, -0.0003846300000000, -0.0002987200000000 ] - [ -0.0005696600000000, -0.0011953800000000, -0.0005600000000000 ] - [ 0.0006926800000000, 0.0000115200000000, 0.0001230600000000 ] - [ 0.0003952700000000, -0.0000897500000000, 0.0000188900000000 ] - [ 0.0003324900000000, -0.0009209900000000, -0.0000628900000000 ] - [ 0.0004419300000000, 0.0005124600000000, -0.0001394100000000 ] - [ 0.0003507200000000, -0.0000699200000000, 0.0004120300000000 ] - [ -0.0010662100000000, 0.0014422600000000, -0.0004270600000000 ] - [ -0.0001343900000000, -0.0004409400000000, -0.0002471900000000 ] - [ 0.0009859100000000, 0.0004515000000000, 0.0005287500000000 ] - [ 0.0005718700000000, 0.0008888300000000, -0.0004869200000000 ] - [ 0.0007628300000000, -0.0002527400000000, 0.0009655000000000 ] - [ 0.0157638700000000, -0.0068237800000000, 0.0077882100000000 ] - [ 0.0017566300000000, 0.0002114000000000, -0.0001910200000000 ] - [ 0.0008882700000000, -0.0010379900000000, 0.0009915500000000 ] - [ 0.0001666400000000, 0.0007597600000000, -0.0003784900000000 ] - [ -0.0007993200000000, 0.0000208100000000, -0.0000733300000000 ] - [ -0.0000604300000000, -0.0001588700000000, 0.0000849800000000 ] - [ -0.0008242400000000, -0.0001899200000000, 0.0002639000000000 ] - [ -0.0005480700000000, -0.0004396100000000, 0.0003193000000000 ] - [ -0.0002413500000000, 0.0003958200000000, -0.0000821700000000 ] - [ 0.0003928800000000, -0.0003187600000000, 0.0001328000000000 ] - [ -0.0009045600000000, -0.0027504000000000, 0.0005261300000000 ] - [ 0.0008527500000000, -0.0005499300000000, 0.0004721900000000 ] - [ 0.0001505000000000, 0.0007197900000000, -0.0001030400000000 ] - [ -0.0004981500000000, 0.0000742000000000, -0.0001149500000000 ] - [ 0.0000756800000000, 0.0001297400000000, -0.0002243500000000 ] - [ -0.0002737700000000, 0.0000437500000000, -0.0003010900000000 ] - [ -0.0013005200000000, 0.0026375300000000, 0.0033912500000000 ] - [ 0.0000651600000000, 0.0001182600000000, 0.0002066500000000 ] - [ -0.0004656100000000, 0.0001031400000000, -0.0001073800000000 ] - [ 0.0001812700000000, 0.0000967400000000, 0.0001121400000000 ] - [ 0.0006810700000000, 0.0000343500000000, -0.0000597800000000 ] - [ 0.0006750400000000, 0.0002179800000000, -0.0000514500000000 ] - [ -0.0004327500000000, -0.0004998500000000, 0.0005147800000000 ] - [ -0.0000760000000000, 0.0000387700000000, 0.0007198900000000 ] - [ 0.0000193900000000, -0.0003724400000000, 0.0000272400000000 ] - [ 0.0002296100000000, 0.0005188400000000, 0.0001629000000000 ] - [ -0.0000601400000000, -0.0005075300000000, -0.0007772900000000 ] - [ 0.0005774100000000, 0.0006094000000000, 0.0002944600000000 ] - [ -0.0001043100000000, 0.0002807200000000, -0.0003857300000000 ] - [ 0.0007399000000000, 0.0001031300000000, -0.0001359900000000 ] - [ -0.0002179100000000, -0.0001853900000000, -0.0006842100000000 ] - [ 0.0000486100000000, 0.0000840100000000, -0.0006535500000000 ] - [ -0.0008241400000000, 0.0006313900000000, -0.0002798000000000 ] - [ 0.0008131600000000, -0.0003796700000000, 0.0002821100000000 ] - [ -0.0001452100000000, 0.0004962700000000, 0.0001745400000000 ] - [ 0.0001735200000000, 0.0004753900000000, 0.0002389000000000 ] - [ 0.0015390600000000, -0.0010798000000000, -0.0007425600000000 ] - [ 0.0013230500000000, 0.0007963100000000, 0.0001651000000000 ] - [ -0.0034858600000000, 0.0035137400000000, -0.0005541400000000 ] - [ 0.0009725100000000, -0.0002377800000000, 0.0000884200000000 ] - [ -0.0000721500000000, -0.0000871100000000, 0.0001792700000000 ] - [ 0.0000930200000000, -0.0032319500000000, 0.0003825200000000 ] - [ 0.0000540000000000, -0.0008021300000000, -0.0002047000000000 ] - [ 0.0006048800000000, -0.0004372100000000, -0.0001733600000000 ] - [ 0.0007116700000000, -0.0006262900000000, -0.0001528600000000 ] - [ 0.0008890400000000, 0.0005912000000000, 0.0054504600000000 ] - [ -0.0004001600000000, 0.0004615600000000, 0.0001983600000000 ] - [ 0.0003375700000000, 0.0005556800000000, 0.0003455300000000 ] - [ -0.0001373800000000, 0.0002237200000000, -0.0001343400000000 ] - [ -0.0001058200000000, 0.0000773800000000, -0.0001130200000000 ] - [ -0.0019709400000000, 0.0004593200000000, -0.0014906100000000 ] - [ 0.0010278600000000, 0.0001480100000000, 0.0005819200000000 ] - [ 0.0015057700000000, 0.0008063300000000, -0.0000133300000000 ] - [ 0.0107868900000000, 0.0017327800000000, -0.0065466700000000 ] - [ -0.0000133900000000, -0.0004366300000000, 0.0001620000000000 ] - [ -0.0003531300000000, -0.0000054300000000, 0.0000566000000000 ] - [ 0.0009478600000000, -0.0002120200000000, 0.0001439600000000 ] - [ -0.0009054700000000, 0.0003804600000000, 0.0001030300000000 ] - [ -0.0003664500000000, -0.0000947300000000, 0.0002265100000000 ] - [ -0.0002959300000000, -0.0002354500000000, 0.0002405200000000 ] - [ 0.0017399500000000, 0.0016953200000000, 0.0011320500000000 ] - [ 0.0016497500000000, -0.0005893900000000, 0.0001382700000000 ] - [ 0.0001394300000000, 0.0000626300000000, -0.0001534800000000 ] - [ 0.0000986700000000, 0.0001246600000000, -0.0001726800000000 ] - [ 0.0007827500000000, 0.0009912200000000, -0.0000788600000000 ] - [ -0.0007630700000000, -0.0008343700000000, -0.0014643800000000 ] - [ 0.0001407000000000, -0.0000176200000000, 0.0004042700000000 ] - [ 0.0003736800000000, 0.0001744900000000, 0.0005050600000000 ]- atom: 49 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0018312100000000, 0.0008316800000000, -0.0001679400000000 ] - [ -0.0143136700000000, 0.0055092800000000, -0.0029227900000000 ] - [ -0.0080844500000000, 0.0017136200000000, 0.0024179500000000 ] - [ 0.0016603200000000, 0.0006508700000000, 0.0003674800000000 ] - [ 0.0018478800000000, 0.0014677000000000, 0.0011504400000000 ] - [ -0.0003871400000000, -0.0004341600000000, -0.0014443700000000 ] - [ -0.0017643900000000, 0.0007891300000000, -0.0002502300000000 ] - [ 0.0008250100000000, 0.0002339600000000, 0.0006081600000000 ] - [ 0.0000686300000000, -0.0007444200000000, 0.0003668400000000 ] - [ -0.0009625600000000, 0.0010238900000000, 0.0004607100000000 ] - [ -0.0012952600000000, 0.0008884800000000, -0.0005791700000000 ] - [ 0.0016140900000000, -0.0002087000000000, -0.0000624300000000 ] - [ -0.0004233700000000, 0.0004868900000000, -0.0000500800000000 ] - [ 0.0003238300000000, 0.0006680500000000, 0.0001771700000000 ] - [ 0.0009310800000000, -0.0004219400000000, -0.0000034700000000 ] - [ -0.0005381800000000, 0.0010175200000000, -0.0008253500000000 ] - [ 0.0002102000000000, 0.0004428900000000, 0.0002432000000000 ] - [ -0.0004539500000000, 0.0000002500000000, 0.0000050600000000 ] - [ 0.0001223100000000, 0.0006473600000000, -0.0002015900000000 ] - [ -0.0005818800000000, -0.0001275100000000, -0.0003376800000000 ] - [ -0.0002691300000000, 0.0001102300000000, 0.0001497400000000 ] - [ 0.0006036400000000, 0.0002497400000000, 0.0003510100000000 ] - [ -0.0063182300000000, 0.0002093500000000, -0.0005676700000000 ] - [ 0.0018799400000000, 0.0007903700000000, 0.0006121600000000 ] - [ 0.0003825100000000, 0.0012861200000000, 0.0000996400000000 ] - [ 0.0004251000000000, -0.0014766300000000, -0.0007214700000000 ] - [ -0.0277321000000000, -0.0112699100000000, -0.0034857100000000 ] - [ 0.0024697500000000, -0.0003217700000000, 0.0005342700000000 ] - [ 0.0000077900000000, 0.0001536800000000, 0.0002380900000000 ] - [ -0.0003446200000000, -0.0021254600000000, 0.0009549900000000 ] - [ 0.0000357300000000, -0.0012894800000000, -0.0003284700000000 ] - [ 0.0009261900000000, -0.0004889200000000, 0.0000524000000000 ] - [ 0.0003664200000000, -0.0004889900000000, 0.0002684700000000 ] - [ 0.0010741100000000, -0.0009920800000000, 0.0004456400000000 ] - [ -0.0000688800000000, -0.0006959600000000, 0.0006966000000000 ] - [ -0.0000862000000000, 0.0018617200000000, 0.0014534500000000 ] - [ -0.0004329300000000, -0.0005620200000000, -0.0001370700000000 ] - [ -0.0004899500000000, -0.0003568200000000, -0.0001927000000000 ] - [ -0.0008082100000000, 0.0003030200000000, -0.0021721100000000 ] - [ 0.0019776200000000, -0.0001530400000000, 0.0005555800000000 ] - [ 0.0005564500000000, 0.0000762200000000, -0.0006024200000000 ] - [ 0.0012181100000000, -0.0003916100000000, -0.0004206000000000 ] - [ -0.0003260600000000, -0.0010120800000000, 0.0000819400000000 ] - [ 0.0007308100000000, 0.0003091100000000, 0.0002088600000000 ] - [ -0.0002414800000000, -0.0005406300000000, 0.0000697900000000 ] - [ -0.0003158900000000, -0.0003436000000000, 0.0000901000000000 ] - [ 0.0026983600000000, -0.0032133300000000, -0.0001372600000000 ] - [ 0.0013403100000000, 0.0023465200000000, -0.0007063500000000 ] - [ 0.0833773200000000, 0.0032888000000000, 0.0058036000000000 ] - [ -0.0014976200000000, 0.0000574000000000, -0.0002672500000000 ] - [ 0.0000845400000000, -0.0004786600000000, 0.0002364300000000 ] - [ -0.0006690700000000, 0.0003756700000000, 0.0000458400000000 ] - [ -0.0005055000000000, -0.0001731500000000, -0.0002268500000000 ] - [ 0.0014342300000000, 0.0013377300000000, -0.0005531200000000 ] - [ 0.0001664000000000, -0.0005589300000000, 0.0004286300000000 ] - [ -0.0001812300000000, -0.0005465000000000, 0.0003203200000000 ] - [ -0.0002812300000000, 0.0000048300000000, -0.0001426300000000 ] - [ -0.0001052200000000, -0.0003951800000000, -0.0001164000000000 ] - [ 0.0002053500000000, -0.0006523000000000, -0.0008021000000000 ] - [ 0.0000384300000000, 0.0003763600000000, -0.0006601400000000 ] - [ 0.0000912600000000, -0.0003933900000000, 0.0000517900000000 ] - [ -0.0002393400000000, -0.0002402000000000, -0.0000470600000000 ] - [ -0.0076313700000000, -0.0030338200000000, 0.0096941300000000 ] - [ -0.0009878800000000, -0.0000737900000000, -0.0001273700000000 ] - [ -0.0005983100000000, -0.0008866900000000, -0.0004232500000000 ] - [ -0.0002878300000000, -0.0000792600000000, -0.0001642600000000 ] - [ 0.0004268400000000, 0.0000536300000000, 0.0000398800000000 ] - [ 0.0007216600000000, 0.0001531000000000, 0.0001431100000000 ] - [ 0.0000098500000000, 0.0008917400000000, -0.0001916800000000 ] - [ -0.0001093500000000, -0.0005431500000000, -0.0001188400000000 ] - [ -0.0011342800000000, 0.0004221900000000, 0.0000590700000000 ] - [ 0.0002644800000000, -0.0010918300000000, 0.0008921200000000 ] - [ 0.0004096800000000, 0.0008689300000000, 0.0005240600000000 ] - [ -0.0007221900000000, -0.0000263300000000, -0.0002608000000000 ] - [ -0.0010488600000000, -0.0005967600000000, -0.0004119300000000 ] - [ -0.0012347500000000, 0.0005459500000000, -0.0018546600000000 ] - [ -0.0153747900000000, 0.0067424100000000, -0.0084476900000000 ] - [ -0.0010547900000000, -0.0004179300000000, -0.0002833800000000 ] - [ -0.0007600000000000, 0.0003454200000000, -0.0010003100000000 ] - [ -0.0000410300000000, -0.0014481300000000, 0.0003703300000000 ] - [ 0.0000253500000000, -0.0001622700000000, 0.0000950100000000 ] - [ -0.0007097400000000, 0.0000153000000000, -0.0000623300000000 ] - [ -0.0005774000000000, -0.0004059800000000, 0.0002996100000000 ] - [ -0.0008532000000000, -0.0001575000000000, 0.0002439700000000 ] - [ 0.0001737200000000, -0.0002434700000000, -0.0000244700000000 ] - [ -0.0004593400000000, 0.0004683100000000, -0.0002382700000000 ] - [ 0.0017814800000000, 0.0014500100000000, 0.0001946000000000 ] - [ 0.0000023900000000, -0.0007174900000000, 0.0002491700000000 ] - [ -0.0003623100000000, 0.0003681700000000, -0.0002113700000000 ] - [ 0.0002814200000000, 0.0010113000000000, -0.0001991800000000 ] - [ -0.0002366000000000, 0.0001781600000000, -0.0002980000000000 ] - [ 0.0001098700000000, 0.0002627300000000, -0.0002219200000000 ] - [ -0.0000052400000000, -0.0022785600000000, -0.0032651800000000 ] - [ -0.0013927100000000, 0.0002317500000000, -0.0000930500000000 ] - [ 0.0002312700000000, 0.0002669200000000, 0.0001280700000000 ] - [ -0.0004134800000000, 0.0002780000000000, -0.0000913500000000 ] - [ 0.0006494100000000, 0.0003143800000000, -0.0000534300000000 ] - [ 0.0006526800000000, 0.0001298700000000, -0.0000626000000000 ] - [ -0.0001899500000000, 0.0002398600000000, 0.0007638800000000 ] - [ -0.0005515300000000, -0.0002945400000000, 0.0005582000000000 ] - [ 0.0000545200000000, 0.0005247500000000, 0.0000817500000000 ] - [ -0.0001651600000000, -0.0003656400000000, -0.0000560900000000 ] - [ 0.0002647800000000, 0.0015748600000000, 0.0010965000000000 ] - [ -0.0003657300000000, 0.0004820000000000, 0.0000201400000000 ] - [ 0.0008860000000000, 0.0000696500000000, -0.0000861500000000 ] - [ 0.0000466600000000, 0.0002441000000000, -0.0003345500000000 ] - [ 0.0000177800000000, 0.0002489900000000, -0.0006668600000000 ] - [ -0.0002519000000000, -0.0000183100000000, -0.0006982200000000 ] - [ 0.0012132600000000, -0.0010651500000000, 0.0005294500000000 ] - [ -0.0004201800000000, -0.0000570800000000, -0.0000344600000000 ] - [ 0.0001802700000000, 0.0005990500000000, 0.0002458100000000 ] - [ -0.0001371900000000, 0.0006209900000000, 0.0001820000000000 ] - [ -0.0001360500000000, 0.0004877800000000, 0.0001842900000000 ] - [ 0.0000760400000000, -0.0013839100000000, -0.0007259500000000 ] - [ 0.0038955600000000, -0.0038384500000000, 0.0003174300000000 ] - [ -0.0005762000000000, -0.0001639600000000, -0.0003165300000000 ] - [ -0.0006338600000000, -0.0009526700000000, 0.0002592700000000 ] - [ -0.0007943300000000, 0.0021592900000000, 0.0000562400000000 ] - [ 0.0006537800000000, -0.0002440400000000, -0.0002322200000000 ] - [ 0.0001008000000000, -0.0006001300000000, -0.0002652100000000 ] - [ -0.0006783900000000, -0.0005949800000000, -0.0005968500000000 ] - [ -0.0008721600000000, -0.0018047400000000, -0.0061510500000000 ] - [ 0.0004383600000000, 0.0007574700000000, 0.0003591800000000 ] - [ -0.0002963400000000, 0.0006682400000000, 0.0002130900000000 ] - [ -0.0001250000000000, 0.0001971100000000, -0.0001339500000000 ] - [ -0.0001580200000000, 0.0003424000000000, -0.0001555700000000 ] - [ 0.0021207700000000, -0.0001373300000000, 0.0020152800000000 ] - [ -0.0008663200000000, 0.0001614300000000, -0.0000591900000000 ] - [ -0.0015466500000000, 0.0002908800000000, -0.0004067300000000 ] - [ -0.0105944100000000, -0.0006133200000000, 0.0059828100000000 ] - [ -0.0003806200000000, 0.0000360300000000, 0.0000669000000000 ] - [ -0.0000446900000000, -0.0003975200000000, 0.0001706400000000 ] - [ -0.0001735100000000, 0.0000724000000000, -0.0001656800000000 ] - [ 0.0016656900000000, -0.0005241500000000, -0.0001284300000000 ] - [ -0.0003297000000000, -0.0001173200000000, 0.0002468600000000 ] - [ -0.0004016400000000, 0.0000223100000000, 0.0002325500000000 ] - [ -0.0015396400000000, -0.0016347000000000, 0.0002174600000000 ] - [ -0.0014392900000000, 0.0006536400000000, 0.0012073900000000 ] - [ 0.0000684600000000, 0.0002327500000000, -0.0001839200000000 ] - [ 0.0001069800000000, 0.0001703000000000, -0.0001652100000000 ] - [ -0.0008234000000000, 0.0002312200000000, -0.0004798300000000 ] - [ 0.0007124900000000, 0.0020530800000000, 0.0008960100000000 ] - [ 0.0003366200000000, 0.0003054700000000, 0.0004997200000000 ] - [ 0.0001012000000000, 0.0001155100000000, 0.0003980800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007259700000000, 0.0014015400000000, -0.0002959100000000 ] - [ -0.0064477400000000, 0.0118163100000000, -0.0022643300000000 ] - [ -0.0024711400000000, 0.0110578700000000, 0.0047297100000000 ] - [ 0.0002393000000000, 0.0012953600000000, -0.0000893700000000 ] - [ -0.0005104000000000, 0.0022805000000000, -0.0002541100000000 ] - [ 0.0001203600000000, 0.0035611200000000, -0.0001453400000000 ] - [ -0.0010571600000000, -0.0023489200000000, 0.0022893000000000 ] - [ 0.0000500200000000, 0.0001101700000000, 0.0004125600000000 ] - [ 0.0002678100000000, -0.0004652900000000, 0.0004690700000000 ] - [ -0.0018985100000000, -0.0015286300000000, -0.0000683700000000 ] - [ 0.0002457900000000, -0.0025626500000000, -0.0028347900000000 ] - [ 0.0008271700000000, -0.0001043700000000, -0.0002693000000000 ] - [ -0.0000751700000000, -0.0010927700000000, 0.0000428400000000 ] - [ -0.0000925400000000, -0.0000233600000000, 0.0000659500000000 ] - [ 0.0009137400000000, -0.0000047800000000, -0.0000746800000000 ] - [ -0.0011855300000000, -0.0008959400000000, -0.0006385200000000 ] - [ -0.0001773900000000, -0.0004710200000000, 0.0000776100000000 ] - [ 0.0001081300000000, -0.0011541600000000, 0.0002031200000000 ] - [ -0.0003174400000000, -0.0002945000000000, -0.0002571400000000 ] - [ 0.0001573900000000, -0.0011605700000000, -0.0001853700000000 ] - [ 0.0000284200000000, -0.0015949700000000, 0.0002402900000000 ] - [ 0.0001981800000000, -0.0003665300000000, 0.0002474300000000 ] - [ -0.0010448200000000, 0.0135675500000000, -0.0071099500000000 ] - [ 0.0002974000000000, 0.0012861400000000, 0.0002763100000000 ] - [ -0.0012347600000000, -0.0003369000000000, -0.0003417100000000 ] - [ 0.0010565200000000, -0.0008601600000000, -0.0004592400000000 ] - [ 0.0099053000000000, 0.0175636300000000, 0.0019784000000000 ] - [ 0.0011170300000000, 0.0006931000000000, 0.0002028500000000 ] - [ -0.0009845900000000, -0.0007928700000000, -0.0001447800000000 ] - [ 0.0004337200000000, -0.0015351500000000, 0.0010507800000000 ] - [ 0.0013451100000000, -0.0024763900000000, 0.0002440300000000 ] - [ 0.0000639400000000, -0.0009431100000000, -0.0002418400000000 ] - [ 0.0004309900000000, -0.0022563100000000, 0.0002943200000000 ] - [ 0.0008688800000000, -0.0013499700000000, 0.0004052000000000 ] - [ 0.0001689600000000, 0.0007172700000000, 0.0008563100000000 ] - [ -0.0022141700000000, 0.0012433800000000, -0.0002163400000000 ] - [ -0.0002483100000000, -0.0012976100000000, -0.0000905800000000 ] - [ -0.0007024400000000, -0.0013660000000000, -0.0001879400000000 ] - [ 0.0004809100000000, 0.0026348200000000, -0.0003243000000000 ] - [ 0.0008953000000000, 0.0006972600000000, 0.0002116200000000 ] - [ 0.0006347600000000, -0.0013083100000000, -0.0006097800000000 ] - [ 0.0010380600000000, -0.0007396200000000, -0.0004769800000000 ] - [ 0.0014964600000000, -0.0029066700000000, 0.0004851200000000 ] - [ -0.0002181900000000, -0.0001743600000000, 0.0000177300000000 ] - [ -0.0000577200000000, -0.0012479200000000, 0.0001099400000000 ] - [ -0.0004606300000000, -0.0013851400000000, -0.0000119000000000 ] - [ 0.0010187500000000, -0.0001317200000000, -0.0000827400000000 ] - [ -0.0024270900000000, 0.0007559800000000, -0.0003700200000000 ] - [ -0.0027113700000000, -0.0645642700000000, 0.0053809600000000 ] - [ -0.0005829500000000, -0.0004415100000000, -0.0000511700000000 ] - [ 0.0005752200000000, 0.0009184600000000, 0.0003024400000000 ] - [ -0.0005519900000000, 0.0003000000000000, 0.0000883000000000 ] - [ 0.0002482300000000, 0.0000060600000000, 0.0000217300000000 ] - [ -0.0002640300000000, 0.0004681000000000, -0.0015717400000000 ] - [ 0.0000143700000000, 0.0002346500000000, 0.0003311900000000 ] - [ -0.0000233600000000, -0.0002313100000000, 0.0003563100000000 ] - [ -0.0003391400000000, 0.0001231500000000, -0.0001471900000000 ] - [ 0.0000939900000000, 0.0005095900000000, -0.0000691800000000 ] - [ 0.0008344700000000, -0.0000380300000000, -0.0003356200000000 ] - [ -0.0000862000000000, -0.0000055800000000, -0.0007485600000000 ] - [ 0.0001046200000000, 0.0005653900000000, -0.0000296800000000 ] - [ -0.0001237000000000, -0.0000136400000000, -0.0000109900000000 ] - [ 0.0035828500000000, -0.0030757500000000, -0.0035429900000000 ] - [ -0.0004293100000000, -0.0004316800000000, 0.0000770600000000 ] - [ -0.0001846300000000, -0.0002416000000000, -0.0002821200000000 ] - [ -0.0005885800000000, 0.0000869200000000, -0.0002341200000000 ] - [ 0.0005803500000000, 0.0004446700000000, 0.0000947800000000 ] - [ 0.0006813600000000, 0.0007840000000000, 0.0001416600000000 ] - [ -0.0008712600000000, 0.0002543100000000, -0.0004607900000000 ] - [ 0.0008137400000000, 0.0000976400000000, 0.0000171900000000 ] - [ -0.0007877900000000, -0.0000028800000000, 0.0001273600000000 ] - [ 0.0016967500000000, 0.0010970300000000, 0.0001485900000000 ] - [ -0.0007991100000000, -0.0017653100000000, -0.0008047200000000 ] - [ 0.0003411800000000, -0.0004502600000000, 0.0001601800000000 ] - [ 0.0002619200000000, -0.0002073400000000, -0.0001954700000000 ] - [ -0.0010945300000000, -0.0003176100000000, -0.0018217100000000 ] - [ -0.0056487600000000, -0.0029286100000000, -0.0023980400000000 ] - [ 0.0005423900000000, -0.0007921200000000, -0.0001405500000000 ] - [ -0.0004120100000000, -0.0006500900000000, -0.0002886400000000 ] - [ 0.0006494200000000, -0.0011261300000000, 0.0001503300000000 ] - [ -0.0005405500000000, 0.0008460200000000, -0.0000281300000000 ] - [ -0.0004749100000000, 0.0001652500000000, 0.0000018400000000 ] - [ -0.0005163500000000, 0.0003998500000000, 0.0004195400000000 ] - [ -0.0007760700000000, -0.0000005900000000, 0.0002589800000000 ] - [ 0.0003398900000000, 0.0004408100000000, 0.0000164700000000 ] - [ -0.0004039600000000, 0.0004321600000000, -0.0002267000000000 ] - [ -0.0025209500000000, 0.0065914100000000, 0.0003587900000000 ] - [ 0.0005128800000000, -0.0008716000000000, 0.0003876800000000 ] - [ 0.0000330400000000, 0.0008342300000000, -0.0001285900000000 ] - [ -0.0003090700000000, 0.0013259700000000, -0.0003899000000000 ] - [ -0.0000696000000000, 0.0005375200000000, -0.0002557800000000 ] - [ 0.0000271900000000, 0.0008521300000000, -0.0002398600000000 ] - [ 0.0015898500000000, -0.0000568100000000, 0.0048387100000000 ] - [ -0.0008896700000000, -0.0002490600000000, -0.0000056100000000 ] - [ -0.0000480800000000, 0.0011593800000000, -0.0000399900000000 ] - [ -0.0001999000000000, 0.0004257000000000, -0.0000225900000000 ] - [ 0.0005398600000000, 0.0006494500000000, -0.0000856000000000 ] - [ 0.0008088000000000, 0.0007529800000000, -0.0000175100000000 ] - [ -0.0008633200000000, 0.0007275100000000, 0.0007445300000000 ] - [ -0.0000724300000000, 0.0000475300000000, 0.0007027700000000 ] - [ -0.0006969400000000, 0.0001655300000000, -0.0001872800000000 ] - [ 0.0005865000000000, 0.0001300800000000, 0.0002268300000000 ] - [ 0.0003617200000000, 0.0033913400000000, -0.0001043800000000 ] - [ 0.0000920400000000, 0.0003462800000000, 0.0001406800000000 ] - [ 0.0002410800000000, 0.0014833500000000, -0.0002621000000000 ] - [ 0.0003246100000000, 0.0004019900000000, -0.0002625700000000 ] - [ -0.0003821200000000, 0.0008144700000000, -0.0007253200000000 ] - [ -0.0000119500000000, 0.0003522800000000, -0.0006659100000000 ] - [ 0.0003253900000000, -0.0006135800000000, 0.0002234600000000 ] - [ 0.0000186900000000, -0.0003268400000000, 0.0000726400000000 ] - [ -0.0000051900000000, 0.0014898000000000, 0.0002504900000000 ] - [ -0.0000180800000000, 0.0009384000000000, 0.0002157400000000 ] - [ -0.0000021500000000, -0.0006054900000000, -0.0002796600000000 ] - [ 0.0014827100000000, -0.0007680100000000, -0.0000630600000000 ] - [ 0.0036021200000000, 0.0161765900000000, -0.0007416400000000 ] - [ 0.0000608100000000, -0.0003553000000000, -0.0001494500000000 ] - [ -0.0000092000000000, -0.0005011500000000, 0.0001953200000000 ] - [ -0.0010788800000000, 0.0011142000000000, 0.0000292900000000 ] - [ 0.0001669100000000, 0.0008830100000000, -0.0005449400000000 ] - [ 0.0004708500000000, -0.0003915000000000, -0.0001855300000000 ] - [ -0.0001564500000000, -0.0012957500000000, -0.0004628600000000 ] - [ 0.0011657700000000, -0.0042245200000000, 0.0000983100000000 ] - [ 0.0001687600000000, 0.0017906600000000, 0.0003758800000000 ] - [ -0.0000796300000000, 0.0008298900000000, 0.0002619200000000 ] - [ -0.0000067200000000, 0.0007539500000000, -0.0001070400000000 ] - [ -0.0001580800000000, 0.0006990200000000, -0.0001823300000000 ] - [ 0.0004046000000000, -0.0030240900000000, 0.0004767600000000 ] - [ 0.0000708400000000, -0.0003071700000000, 0.0002384700000000 ] - [ -0.0004003100000000, -0.0002938200000000, -0.0002114300000000 ] - [ 0.0011707000000000, -0.0035764900000000, -0.0001398700000000 ] - [ -0.0003750300000000, 0.0001545600000000, 0.0000579800000000 ] - [ 0.0000367300000000, 0.0005389800000000, 0.0001847200000000 ] - [ 0.0000230200000000, -0.0002620300000000, -0.0000897700000000 ] - [ 0.0018427300000000, 0.0005738800000000, 0.0008934200000000 ] - [ -0.0002163500000000, 0.0005057100000000, 0.0002791400000000 ] - [ -0.0003900000000000, 0.0003803700000000, 0.0002646000000000 ] - [ 0.0016993500000000, -0.0002307800000000, 0.0009813500000000 ] - [ -0.0012514800000000, -0.0003821500000000, 0.0013425200000000 ] - [ -0.0000168200000000, 0.0006105500000000, -0.0002065100000000 ] - [ 0.0000723700000000, 0.0006891900000000, -0.0001829900000000 ] - [ 0.0002207400000000, 0.0004548500000000, -0.0001956100000000 ] - [ -0.0012258200000000, 0.0010573000000000, 0.0008721000000000 ] - [ 0.0000044000000000, 0.0008458500000000, 0.0003592300000000 ] - [ 0.0003222200000000, 0.0004651800000000, 0.0004903100000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003114100000000, -0.0007667900000000, -0.0002166700000000 ] - [ 0.0064897300000000, -0.0114586700000000, 0.0018932600000000 ] - [ 0.0025646400000000, -0.0101202300000000, -0.0046741500000000 ] - [ -0.0000307200000000, -0.0005455200000000, -0.0001745400000000 ] - [ 0.0005655400000000, -0.0008299800000000, 0.0001062700000000 ] - [ -0.0000522500000000, -0.0021214200000000, 0.0000018600000000 ] - [ 0.0006536300000000, 0.0029394300000000, -0.0016116500000000 ] - [ -0.0004621300000000, 0.0004756700000000, 0.0002805600000000 ] - [ -0.0013133700000000, 0.0004741200000000, 0.0002342000000000 ] - [ 0.0008430100000000, 0.0015311700000000, 0.0007683000000000 ] - [ 0.0008046500000000, 0.0025636800000000, 0.0021524400000000 ] - [ 0.0002183200000000, 0.0001067200000000, -0.0004333300000000 ] - [ 0.0000136900000000, 0.0025455000000000, 0.0000994800000000 ] - [ 0.0000290800000000, 0.0014785200000000, 0.0000770800000000 ] - [ -0.0005031200000000, 0.0005975300000000, -0.0006191700000000 ] - [ 0.0015894200000000, 0.0014850600000000, -0.0000558500000000 ] - [ -0.0000323500000000, 0.0012174500000000, 0.0001863400000000 ] - [ -0.0003198400000000, 0.0019021300000000, 0.0000600900000000 ] - [ -0.0000582700000000, 0.0013152600000000, -0.0002584700000000 ] - [ -0.0005364900000000, 0.0021847900000000, -0.0003311700000000 ] - [ 0.0003784000000000, 0.0022314500000000, 0.0002731200000000 ] - [ 0.0002088200000000, 0.0010050900000000, 0.0002650800000000 ] - [ 0.0014223700000000, -0.0122276600000000, 0.0071502400000000 ] - [ 0.0000775300000000, -0.0002603500000000, 0.0002395200000000 ] - [ 0.0009345600000000, 0.0004057500000000, 0.0001586600000000 ] - [ -0.0013624200000000, 0.0009335500000000, 0.0002777700000000 ] - [ -0.0096797900000000, -0.0186187100000000, -0.0017875400000000 ] - [ -0.0001398600000000, -0.0014057700000000, 0.0001442000000000 ] - [ 0.0002130400000000, -0.0006071700000000, 0.0004023900000000 ] - [ -0.0012072500000000, 0.0001425200000000, -0.0007968000000000 ] - [ -0.0005661200000000, 0.0010810500000000, -0.0005028000000000 ] - [ 0.0007092900000000, -0.0004475800000000, -0.0000193200000000 ] - [ 0.0009752800000000, 0.0008885000000000, 0.0004262800000000 ] - [ 0.0005347000000000, -0.0000216800000000, 0.0003138700000000 ] - [ -0.0018921700000000, -0.0008677900000000, 0.0001965200000000 ] - [ 0.0004921400000000, -0.0013865100000000, 0.0012677400000000 ] - [ -0.0007241700000000, 0.0005849400000000, -0.0002492100000000 ] - [ -0.0002758100000000, 0.0006558500000000, -0.0001543000000000 ] - [ 0.0001095500000000, -0.0033204200000000, 0.0001932400000000 ] - [ -0.0003052700000000, -0.0013830700000000, -0.0003536800000000 ] - [ 0.0010933600000000, 0.0011435100000000, -0.0004485900000000 ] - [ 0.0006866400000000, 0.0005742300000000, -0.0005820900000000 ] - [ -0.0011849600000000, 0.0029738000000000, -0.0002896400000000 ] - [ 0.0005166100000000, 0.0002533600000000, 0.0001719800000000 ] - [ -0.0005368500000000, 0.0005599100000000, 0.0000409600000000 ] - [ -0.0001376900000000, 0.0006972500000000, 0.0001620400000000 ] - [ -0.0024402800000000, -0.0012180000000000, -0.0006444400000000 ] - [ 0.0010226100000000, -0.0021073200000000, -0.0003572500000000 ] - [ 0.0021520900000000, 0.0649724400000000, -0.0053749700000000 ] - [ -0.0005353400000000, 0.0005076500000000, -0.0001116800000000 ] - [ -0.0009178700000000, -0.0009537200000000, -0.0000472000000000 ] - [ 0.0002167700000000, -0.0003325800000000, 0.0001688600000000 ] - [ -0.0000143000000000, 0.0003710400000000, -0.0000423400000000 ] - [ 0.0004958800000000, -0.0000887000000000, 0.0015568700000000 ] - [ -0.0000452900000000, -0.0014563600000000, 0.0004193000000000 ] - [ -0.0000069300000000, -0.0009901700000000, 0.0003942700000000 ] - [ -0.0000527600000000, -0.0005589200000000, -0.0000996800000000 ] - [ -0.0004837500000000, -0.0009438200000000, -0.0001771400000000 ] - [ -0.0002087300000000, -0.0002138100000000, -0.0009430300000000 ] - [ 0.0007127300000000, -0.0002488700000000, -0.0005288400000000 ] - [ -0.0002350700000000, -0.0012632400000000, 0.0000320800000000 ] - [ -0.0000049500000000, -0.0006829500000000, 0.0000131500000000 ] - [ -0.0037484200000000, 0.0034079700000000, 0.0038299000000000 ] - [ 0.0002231500000000, 0.0007300200000000, 0.0002608700000000 ] - [ -0.0006709200000000, -0.0010272000000000, -0.0004399200000000 ] - [ -0.0002659500000000, -0.0013568100000000, -0.0004878000000000 ] - [ 0.0005383000000000, -0.0003782000000000, 0.0000679900000000 ] - [ 0.0004385300000000, -0.0007172300000000, 0.0000213500000000 ] - [ 0.0012007200000000, -0.0002924700000000, 0.0002013100000000 ] - [ -0.0004753300000000, -0.0001321500000000, -0.0002736100000000 ] - [ 0.0000040000000000, 0.0003491400000000, 0.0003430700000000 ] - [ -0.0024708600000000, -0.0007471600000000, 0.0003185600000000 ] - [ 0.0010582900000000, 0.0021749600000000, 0.0010680100000000 ] - [ -0.0000785100000000, 0.0008717000000000, 0.0001072400000000 ] - [ -0.0007336000000000, 0.0005046200000000, -0.0007085100000000 ] - [ 0.0006195300000000, 0.0006124800000000, 0.0009276200000000 ] - [ 0.0064049000000000, 0.0026446800000000, 0.0019506100000000 ] - [ 0.0001501300000000, 0.0005803600000000, -0.0003337100000000 ] - [ 0.0005441100000000, -0.0000526200000000, 0.0002925200000000 ] - [ -0.0005197400000000, 0.0004211800000000, -0.0001520600000000 ] - [ -0.0002313000000000, -0.0009884000000000, 0.0000515800000000 ] - [ -0.0002963900000000, -0.0003060700000000, 0.0000207000000000 ] - [ -0.0008861100000000, -0.0009953200000000, 0.0001430500000000 ] - [ -0.0006248200000000, -0.0005943300000000, 0.0003046400000000 ] - [ -0.0004105300000000, -0.0002857100000000, -0.0001235500000000 ] - [ 0.0003367800000000, -0.0002789900000000, 0.0001202400000000 ] - [ 0.0033159400000000, -0.0077225600000000, 0.0003637000000000 ] - [ 0.0003432600000000, -0.0003999000000000, 0.0003339800000000 ] - [ -0.0002455300000000, 0.0002567400000000, -0.0001860500000000 ] - [ 0.0000975400000000, -0.0002366000000000, 0.0000762000000000 ] - [ -0.0000923200000000, -0.0002282100000000, -0.0002664500000000 ] - [ -0.0001882600000000, -0.0005425500000000, -0.0002820600000000 ] - [ -0.0029261300000000, 0.0004328100000000, -0.0047262000000000 ] - [ -0.0004397000000000, 0.0006006700000000, 0.0001195600000000 ] - [ -0.0001838100000000, -0.0007826200000000, 0.0000613600000000 ] - [ -0.0000323400000000, -0.0000517000000000, 0.0000439000000000 ] - [ 0.0007883800000000, -0.0002992500000000, -0.0000278500000000 ] - [ 0.0005216900000000, -0.0004024900000000, -0.0000955200000000 ] - [ 0.0002322000000000, -0.0009813600000000, 0.0005355500000000 ] - [ -0.0005527700000000, -0.0003043200000000, 0.0005759700000000 ] - [ 0.0007607900000000, -0.0000164500000000, 0.0002937600000000 ] - [ -0.0005171400000000, 0.0000198100000000, -0.0001186200000000 ] - [ -0.0001442200000000, -0.0022892700000000, 0.0004087100000000 ] - [ 0.0001203500000000, 0.0007415000000000, 0.0001743700000000 ] - [ 0.0005446600000000, -0.0011385700000000, -0.0002093000000000 ] - [ 0.0004608000000000, -0.0000519300000000, -0.0002081100000000 ] - [ 0.0001783600000000, -0.0007460300000000, -0.0006266000000000 ] - [ -0.0001888100000000, -0.0002861400000000, -0.0006850800000000 ] - [ 0.0000614300000000, 0.0001891300000000, 0.0000227500000000 ] - [ 0.0003733300000000, -0.0001070700000000, 0.0001750100000000 ] - [ 0.0000407000000000, -0.0003914400000000, 0.0001701800000000 ] - [ 0.0000542900000000, 0.0001596800000000, 0.0002052500000000 ] - [ 0.0014050700000000, 0.0000034200000000, -0.0002866900000000 ] - [ -0.0000803400000000, 0.0001679200000000, -0.0004996900000000 ] - [ -0.0032980500000000, -0.0169411100000000, 0.0005285500000000 ] - [ 0.0003349800000000, -0.0000437200000000, -0.0000787100000000 ] - [ -0.0006973300000000, -0.0005335300000000, 0.0002431100000000 ] - [ 0.0003725800000000, -0.0021523300000000, 0.0004087200000000 ] - [ 0.0005381100000000, -0.0019174600000000, 0.0001038300000000 ] - [ 0.0002360800000000, -0.0006473300000000, -0.0002524300000000 ] - [ 0.0001893800000000, 0.0000725600000000, -0.0002870100000000 ] - [ -0.0011639300000000, 0.0029924200000000, -0.0008864100000000 ] - [ -0.0001266900000000, -0.0005615500000000, 0.0001830100000000 ] - [ 0.0001202100000000, 0.0003932100000000, 0.0002964800000000 ] - [ -0.0002568400000000, -0.0003313400000000, -0.0001613300000000 ] - [ -0.0001036100000000, -0.0002768500000000, -0.0000853400000000 ] - [ -0.0002439600000000, 0.0033206300000000, 0.0000478300000000 ] - [ 0.0000914200000000, 0.0006159900000000, 0.0002851900000000 ] - [ 0.0003706200000000, 0.0013929100000000, -0.0002077100000000 ] - [ -0.0012667300000000, 0.0046644900000000, -0.0002601100000000 ] - [ -0.0000206700000000, -0.0005558400000000, 0.0001702400000000 ] - [ -0.0004304600000000, -0.0009388000000000, 0.0000438000000000 ] - [ 0.0007492300000000, 0.0001179000000000, 0.0000685700000000 ] - [ -0.0010665100000000, -0.0007191500000000, -0.0009088300000000 ] - [ -0.0004814200000000, -0.0007162700000000, 0.0001941400000000 ] - [ -0.0003056400000000, -0.0005909600000000, 0.0002090800000000 ] - [ -0.0014931400000000, 0.0003078800000000, 0.0003722500000000 ] - [ 0.0014586700000000, 0.0004514100000000, 0.0000037600000000 ] - [ 0.0002230600000000, -0.0003130900000000, -0.0001312900000000 ] - [ 0.0001353700000000, -0.0003919900000000, -0.0001542000000000 ] - [ -0.0002601300000000, 0.0007714200000000, -0.0003622000000000 ] - [ 0.0011880700000000, 0.0001702500000000, -0.0014355900000000 ] - [ 0.0004700300000000, -0.0005538200000000, 0.0005441300000000 ] - [ 0.0001546100000000, -0.0001747100000000, 0.0004138700000000 ]- atom: 49 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ 0.0002217400000000, 0.0003746900000000, -0.0000887500000000 ] - [ -0.0012527800000000, 0.0001092300000000, 0.0050098100000000 ] - [ -0.0049438900000000, 0.0040462100000000, 0.0108536200000000 ] - [ 0.0000359400000000, 0.0003579100000000, -0.0000702900000000 ] - [ -0.0006075700000000, 0.0006109000000000, -0.0003012700000000 ] - [ 0.0010353800000000, 0.0006027100000000, -0.0032864500000000 ] - [ -0.0000815500000000, 0.0011170400000000, 0.0002209200000000 ] - [ -0.0002388300000000, 0.0002998800000000, 0.0003564400000000 ] - [ -0.0004676400000000, -0.0000634700000000, 0.0003684200000000 ] - [ -0.0007461200000000, -0.0000602800000000, 0.0011471800000000 ] - [ 0.0005984700000000, -0.0012677900000000, -0.0002235000000000 ] - [ 0.0005049600000000, 0.0000018800000000, -0.0003869800000000 ] - [ -0.0000043100000000, 0.0006881300000000, 0.0000832400000000 ] - [ -0.0000534700000000, 0.0007354300000000, 0.0000745200000000 ] - [ 0.0000656500000000, 0.0004018500000000, -0.0003950700000000 ] - [ 0.0004238200000000, 0.0001979500000000, -0.0013486900000000 ] - [ -0.0001282600000000, 0.0003707500000000, 0.0001256400000000 ] - [ -0.0000775600000000, 0.0003936500000000, 0.0000708800000000 ] - [ -0.0001855600000000, 0.0005330100000000, -0.0002565500000000 ] - [ -0.0002025000000000, 0.0005515000000000, -0.0001918900000000 ] - [ 0.0002687500000000, 0.0004870000000000, 0.0002734400000000 ] - [ 0.0001832700000000, 0.0003289800000000, 0.0002439600000000 ] - [ 0.0011855200000000, -0.0066055900000000, 0.0119796900000000 ] - [ 0.0001781400000000, 0.0005180000000000, 0.0000965000000000 ] - [ -0.0001872300000000, 0.0000563000000000, 0.0001307600000000 ] - [ 0.0000404400000000, -0.0001542900000000, 0.0000490600000000 ] - [ -0.0033350000000000, -0.0014048600000000, 0.0098255600000000 ] - [ 0.0007392100000000, -0.0005299500000000, 0.0002623300000000 ] - [ -0.0003233900000000, -0.0006487300000000, -0.0000963800000000 ] - [ -0.0006240700000000, -0.0004333100000000, 0.0000504300000000 ] - [ 0.0006819900000000, -0.0007205700000000, -0.0006249700000000 ] - [ 0.0002688500000000, -0.0007600900000000, -0.0001486100000000 ] - [ 0.0007044800000000, -0.0006512700000000, 0.0004168000000000 ] - [ 0.0007006500000000, -0.0006837300000000, 0.0003567800000000 ] - [ -0.0007985900000000, -0.0001134900000000, -0.0001230000000000 ] - [ -0.0024767500000000, -0.0013865200000000, -0.0000825700000000 ] - [ -0.0005037900000000, -0.0003272100000000, -0.0001507400000000 ] - [ -0.0004742300000000, -0.0003247600000000, -0.0001588900000000 ] - [ 0.0015681500000000, 0.0000426600000000, -0.0054906500000000 ] - [ -0.0000280000000000, -0.0002327800000000, -0.0001670200000000 ] - [ 0.0008860200000000, -0.0000684400000000, -0.0005811400000000 ] - [ 0.0008363400000000, -0.0000600400000000, -0.0005407800000000 ] - [ 0.0001127600000000, -0.0000186100000000, 0.0006691400000000 ] - [ 0.0001941900000000, 0.0000915100000000, 0.0001237600000000 ] - [ -0.0003020900000000, -0.0003165000000000, 0.0000535600000000 ] - [ -0.0003178600000000, -0.0003802300000000, 0.0000732100000000 ] - [ -0.0012231800000000, -0.0004270700000000, 0.0002048500000000 ] - [ 0.0008346400000000, 0.0006565200000000, -0.0001601300000000 ] - [ 0.0153248900000000, 0.0052487100000000, -0.0504413700000000 ] - [ -0.0006202800000000, 0.0000666800000000, -0.0001191100000000 ] - [ -0.0001959100000000, -0.0000702900000000, 0.0000088800000000 ] - [ -0.0001754100000000, 0.0000018600000000, 0.0001180200000000 ] - [ 0.0000868600000000, 0.0001938800000000, 0.0000564400000000 ] - [ 0.0004606000000000, -0.0004084400000000, 0.0003177700000000 ] - [ -0.0000299400000000, -0.0006231900000000, 0.0003958800000000 ] - [ -0.0000040800000000, -0.0006155000000000, 0.0003784700000000 ] - [ -0.0001883500000000, -0.0002407500000000, -0.0000966300000000 ] - [ -0.0001636700000000, -0.0001222500000000, -0.0001071500000000 ] - [ 0.0005146300000000, 0.0000653600000000, -0.0005848800000000 ] - [ 0.0002746000000000, -0.0001298800000000, -0.0004677200000000 ] - [ -0.0000845000000000, -0.0004041800000000, 0.0000031300000000 ] - [ -0.0000551700000000, -0.0003544600000000, -0.0000031600000000 ] - [ -0.0104951100000000, -0.0033481700000000, 0.0065201000000000 ] - [ -0.0000445200000000, 0.0001604700000000, 0.0000363800000000 ] - [ -0.0004186300000000, -0.0006280600000000, -0.0003884800000000 ] - [ -0.0004465800000000, -0.0005652300000000, -0.0003772200000000 ] - [ 0.0005651100000000, 0.0000258900000000, 0.0000793800000000 ] - [ 0.0005414200000000, 0.0000076800000000, 0.0000734800000000 ] - [ 0.0002391600000000, -0.0001224500000000, -0.0003048800000000 ] - [ -0.0000399900000000, -0.0001675800000000, -0.0001214900000000 ] - [ -0.0003485800000000, 0.0001625500000000, 0.0001756000000000 ] - [ -0.0017058300000000, -0.0012470900000000, -0.0002160000000000 ] - [ 0.0002073900000000, 0.0006286800000000, 0.0023388100000000 ] - [ 0.0005871600000000, 0.0002738200000000, 0.0003727000000000 ] - [ -0.0006835500000000, -0.0000973300000000, 0.0004054300000000 ] - [ -0.0000689600000000, -0.0001262800000000, -0.0005250900000000 ] - [ 0.0045506200000000, -0.0010183500000000, -0.0027792900000000 ] - [ -0.0002389000000000, -0.0001972700000000, -0.0002111900000000 ] - [ 0.0002537400000000, -0.0004276100000000, 0.0001358700000000 ] - [ -0.0002224200000000, -0.0003064200000000, 0.0013009600000000 ] - [ -0.0004283500000000, -0.0000572300000000, 0.0001219600000000 ] - [ -0.0003672300000000, -0.0000754600000000, 0.0000173100000000 ] - [ -0.0006914300000000, -0.0002541400000000, 0.0002783800000000 ] - [ -0.0006973600000000, -0.0003015100000000, 0.0002931200000000 ] - [ -0.0000830200000000, 0.0000527500000000, 0.0000263100000000 ] - [ 0.0000093800000000, 0.0000379400000000, -0.0000401700000000 ] - [ 0.0009096700000000, 0.0001556200000000, -0.0030161800000000 ] - [ 0.0003983600000000, -0.0006524400000000, 0.0003391800000000 ] - [ -0.0001039200000000, 0.0005480000000000, -0.0001309900000000 ] - [ -0.0000843300000000, 0.0004105400000000, -0.0001415900000000 ] - [ -0.0000754400000000, 0.0001473200000000, -0.0002565100000000 ] - [ -0.0000876500000000, 0.0001567400000000, -0.0002629900000000 ] - [ 0.0026374700000000, 0.0039607900000000, 0.0042953800000000 ] - [ -0.0006836400000000, 0.0001891100000000, 0.0001742500000000 ] - [ -0.0001686100000000, 0.0002442600000000, 0.0000937300000000 ] - [ -0.0000854100000000, 0.0001778200000000, 0.0000204300000000 ] - [ 0.0006593500000000, 0.0001767200000000, -0.0000575700000000 ] - [ 0.0006738100000000, 0.0001788100000000, -0.0000794500000000 ] - [ -0.0003943300000000, 0.0000138400000000, 0.0006193300000000 ] - [ -0.0002847300000000, -0.0001224700000000, 0.0005977200000000 ] - [ 0.0000381200000000, -0.0000089000000000, 0.0003131000000000 ] - [ 0.0002493300000000, 0.0002347400000000, 0.0001703200000000 ] - [ -0.0017567100000000, 0.0017118400000000, 0.0052836000000000 ] - [ 0.0001777700000000, 0.0005519500000000, 0.0001780600000000 ] - [ 0.0004050000000000, 0.0001466000000000, -0.0003485700000000 ] - [ 0.0003943700000000, 0.0001701000000000, -0.0002347800000000 ] - [ -0.0000818100000000, -0.0000028100000000, -0.0007378100000000 ] - [ -0.0001047200000000, 0.0000154200000000, -0.0006774200000000 ] - [ -0.0000973200000000, -0.0003724100000000, 0.0011815300000000 ] - [ 0.0002485300000000, -0.0002304100000000, 0.0001437400000000 ] - [ 0.0000174300000000, 0.0005304300000000, 0.0001835200000000 ] - [ 0.0000221100000000, 0.0005423200000000, 0.0002112200000000 ] - [ 0.0003271500000000, -0.0001032300000000, -0.0004722100000000 ] - [ 0.0009450200000000, -0.0002879300000000, -0.0010702800000000 ] - [ 0.0007329800000000, -0.0017498700000000, -0.0032177300000000 ] - [ 0.0001636000000000, -0.0001928500000000, -0.0001229600000000 ] - [ -0.0003996400000000, -0.0005610200000000, 0.0002034600000000 ] - [ -0.0002787400000000, -0.0006434400000000, 0.0000895400000000 ] - [ 0.0003852100000000, -0.0010863300000000, -0.0001862100000000 ] - [ 0.0003587600000000, -0.0005179300000000, -0.0001754100000000 ] - [ -0.0000279300000000, -0.0005785500000000, -0.0002339900000000 ] - [ 0.0054487200000000, -0.0002566600000000, 0.0051135000000000 ] - [ 0.0000257600000000, 0.0006546800000000, 0.0001462300000000 ] - [ 0.0000220900000000, 0.0006049700000000, 0.0002798600000000 ] - [ -0.0001374900000000, 0.0002000900000000, -0.0001255900000000 ] - [ -0.0001232200000000, 0.0002010600000000, -0.0001334500000000 ] - [ -0.0010383100000000, 0.0000444200000000, 0.0044702100000000 ] - [ 0.0002108100000000, 0.0001291000000000, 0.0003004800000000 ] - [ 0.0001623700000000, 0.0006301700000000, -0.0003537800000000 ] - [ -0.0087446600000000, 0.0003272200000000, 0.0014873600000000 ] - [ -0.0001780400000000, -0.0002207900000000, 0.0001009300000000 ] - [ -0.0002521200000000, -0.0002648400000000, 0.0001164200000000 ] - [ 0.0003809200000000, -0.0000590800000000, 0.0000631300000000 ] - [ 0.0016734900000000, 0.0014901600000000, 0.0001842400000000 ] - [ -0.0003518000000000, -0.0001193600000000, 0.0002258500000000 ] - [ -0.0003475100000000, -0.0001072800000000, 0.0002319500000000 ] - [ 0.0001222300000000, -0.0000549400000000, -0.0001275200000000 ] - [ 0.0001168200000000, 0.0002975400000000, 0.0004483400000000 ] - [ 0.0001108600000000, 0.0001333000000000, -0.0001668400000000 ] - [ 0.0000988700000000, 0.0001480000000000, -0.0001479500000000 ] - [ -0.0000011700000000, 0.0006256400000000, -0.0003430300000000 ] - [ -0.0005165000000000, 0.0012227500000000, -0.0003343800000000 ] - [ 0.0002229300000000, 0.0001102800000000, 0.0005130500000000 ] - [ 0.0002629000000000, 0.0001599500000000, 0.0004588200000000 ]- atom: 49 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0006301400000000, 0.0002677300000000, -0.0004188400000000 ] - [ 0.0008260200000000, 0.0005591700000000, -0.0055325700000000 ] - [ 0.0048522900000000, -0.0027477200000000, -0.0104182900000000 ] - [ 0.0001755000000000, 0.0003948100000000, -0.0001931000000000 ] - [ 0.0006694800000000, 0.0008462400000000, 0.0001503700000000 ] - [ -0.0009870500000000, 0.0008743300000000, 0.0031379700000000 ] - [ -0.0003352100000000, -0.0005394600000000, 0.0004886100000000 ] - [ -0.0001681300000000, 0.0002879100000000, 0.0003375700000000 ] - [ -0.0005767300000000, 0.0000665500000000, 0.0003369900000000 ] - [ -0.0003065700000000, 0.0000612200000000, -0.0004456700000000 ] - [ 0.0004486000000000, 0.0012653600000000, -0.0004986700000000 ] - [ 0.0005446600000000, 0.0000022500000000, -0.0003146000000000 ] - [ -0.0000590100000000, 0.0007566700000000, 0.0000612700000000 ] - [ -0.0000095900000000, 0.0007153900000000, 0.0000684100000000 ] - [ 0.0003477600000000, 0.0001871500000000, -0.0002999300000000 ] - [ -0.0000298200000000, 0.0003791300000000, 0.0006503300000000 ] - [ -0.0000820500000000, 0.0003733700000000, 0.0001374900000000 ] - [ -0.0001326200000000, 0.0003467500000000, 0.0001927800000000 ] - [ -0.0001916700000000, 0.0004862500000000, -0.0002593000000000 ] - [ -0.0001731200000000, 0.0004618100000000, -0.0003243100000000 ] - [ 0.0001374900000000, 0.0001398100000000, 0.0002367700000000 ] - [ 0.0002236100000000, 0.0003058400000000, 0.0002683700000000 ] - [ -0.0008538800000000, 0.0082241600000000, -0.0120799900000000 ] - [ 0.0001968400000000, 0.0005092000000000, 0.0004186000000000 ] - [ -0.0001207400000000, 0.0000144600000000, -0.0003198500000000 ] - [ -0.0003366700000000, 0.0002231800000000, -0.0002421900000000 ] - [ 0.0043570900000000, 0.0007435700000000, -0.0094990800000000 ] - [ 0.0002445000000000, -0.0001724200000000, 0.0000766700000000 ] - [ -0.0004488900000000, -0.0007422800000000, 0.0003534300000000 ] - [ -0.0001454600000000, -0.0009648400000000, 0.0002155600000000 ] - [ 0.0001041600000000, -0.0006953700000000, 0.0003704300000000 ] - [ 0.0005030800000000, -0.0006337700000000, -0.0001127700000000 ] - [ 0.0006994900000000, -0.0007286900000000, 0.0002993700000000 ] - [ 0.0007054900000000, -0.0006921000000000, 0.0003600200000000 ] - [ -0.0009104400000000, -0.0000415300000000, 0.0011783500000000 ] - [ 0.0007428400000000, 0.0012347300000000, 0.0011400700000000 ] - [ -0.0004728700000000, -0.0003874800000000, -0.0001851600000000 ] - [ -0.0005051500000000, -0.0003910400000000, -0.0001775600000000 ] - [ -0.0009655600000000, -0.0006996000000000, 0.0053484800000000 ] - [ 0.0006219300000000, -0.0004439300000000, 0.0000292400000000 ] - [ 0.0008385400000000, -0.0001011100000000, -0.0004781200000000 ] - [ 0.0008906900000000, -0.0001085900000000, -0.0005176100000000 ] - [ 0.0001902100000000, 0.0000949200000000, -0.0004792200000000 ] - [ 0.0001025900000000, -0.0000156400000000, 0.0000678400000000 ] - [ -0.0002914100000000, -0.0003766400000000, 0.0000965800000000 ] - [ -0.0002789200000000, -0.0003135700000000, 0.0000765700000000 ] - [ -0.0001967100000000, -0.0009275300000000, -0.0009270300000000 ] - [ -0.0022433700000000, -0.0020202100000000, -0.0005741600000000 ] - [ -0.0161888700000000, -0.0063882300000000, 0.0500863000000000 ] - [ -0.0004989800000000, -0.0000032600000000, -0.0000442500000000 ] - [ -0.0001361600000000, 0.0000432600000000, 0.0002491300000000 ] - [ -0.0001632200000000, -0.0000323400000000, 0.0001389400000000 ] - [ 0.0001439700000000, 0.0001793800000000, -0.0000776900000000 ] - [ -0.0002261800000000, 0.0007814200000000, -0.0003511800000000 ] - [ -0.0000001200000000, -0.0005947600000000, 0.0003536000000000 ] - [ -0.0000263200000000, -0.0006048300000000, 0.0003711300000000 ] - [ -0.0002042700000000, -0.0001925600000000, -0.0001508300000000 ] - [ -0.0002254800000000, -0.0003084900000000, -0.0001409800000000 ] - [ 0.0001117100000000, -0.0003217300000000, -0.0006907700000000 ] - [ 0.0003498800000000, -0.0001257900000000, -0.0008110200000000 ] - [ -0.0000433400000000, -0.0002886300000000, -0.0000018500000000 ] - [ -0.0000740000000000, -0.0003407700000000, 0.0000048600000000 ] - [ 0.0101254500000000, 0.0035767100000000, -0.0061359100000000 ] - [ -0.0001645500000000, 0.0001324000000000, 0.0003006200000000 ] - [ -0.0004356800000000, -0.0006391500000000, -0.0003330300000000 ] - [ -0.0004095900000000, -0.0006999800000000, -0.0003428900000000 ] - [ 0.0005536000000000, 0.0000418900000000, 0.0000835500000000 ] - [ 0.0005783200000000, 0.0000623400000000, 0.0000900900000000 ] - [ 0.0000945400000000, 0.0000865700000000, 0.0000480700000000 ] - [ 0.0003791800000000, 0.0001356900000000, -0.0001333900000000 ] - [ -0.0004361900000000, 0.0001852100000000, 0.0002940000000000 ] - [ 0.0009335100000000, 0.0015987800000000, 0.0006996700000000 ] - [ 0.0000418900000000, -0.0002160500000000, -0.0020753400000000 ] - [ -0.0003193500000000, 0.0001447000000000, -0.0001045400000000 ] - [ 0.0002016200000000, 0.0003830600000000, -0.0013080300000000 ] - [ -0.0004134600000000, 0.0004147800000000, -0.0003899300000000 ] - [ -0.0037775800000000, 0.0007648700000000, 0.0023636200000000 ] - [ 0.0009377700000000, -0.0000176100000000, -0.0002615100000000 ] - [ -0.0001257500000000, -0.0002740400000000, -0.0001308700000000 ] - [ 0.0003563500000000, -0.0003932200000000, -0.0013000600000000 ] - [ -0.0003433000000000, -0.0000802200000000, -0.0001002300000000 ] - [ -0.0004049400000000, -0.0000644300000000, 0.0000048300000000 ] - [ -0.0007091100000000, -0.0003376900000000, 0.0002861300000000 ] - [ -0.0007041500000000, -0.0002916900000000, 0.0002701100000000 ] - [ 0.0000167100000000, 0.0001009900000000, -0.0001335200000000 ] - [ -0.0000796800000000, 0.0001177400000000, -0.0000685500000000 ] - [ -0.0000451900000000, -0.0014550100000000, 0.0037327100000000 ] - [ 0.0004579300000000, -0.0006176800000000, 0.0003823000000000 ] - [ -0.0001088100000000, 0.0005431100000000, -0.0001839700000000 ] - [ -0.0001287000000000, 0.0006835600000000, -0.0001751500000000 ] - [ -0.0000866700000000, 0.0001631900000000, -0.0002663400000000 ] - [ -0.0000735900000000, 0.0001557000000000, -0.0002599600000000 ] - [ -0.0040093000000000, -0.0036555900000000, -0.0041892300000000 ] - [ -0.0006467000000000, 0.0001575500000000, -0.0000609100000000 ] - [ -0.0000629500000000, 0.0001392800000000, -0.0000732800000000 ] - [ -0.0001472600000000, 0.0001976200000000, 0.0000002100000000 ] - [ 0.0006690800000000, 0.0001747200000000, -0.0000566500000000 ] - [ 0.0006561200000000, 0.0001732900000000, -0.0000341400000000 ] - [ -0.0002335700000000, -0.0002652600000000, 0.0006539600000000 ] - [ -0.0003400100000000, -0.0001327000000000, 0.0006809200000000 ] - [ 0.0000206000000000, 0.0001635500000000, -0.0002080100000000 ] - [ -0.0001776900000000, -0.0000820200000000, -0.0000627600000000 ] - [ 0.0019700700000000, -0.0005757400000000, -0.0049548700000000 ] - [ 0.0000345800000000, 0.0005369100000000, 0.0001367100000000 ] - [ 0.0003800300000000, 0.0002100300000000, -0.0001217500000000 ] - [ 0.0003902100000000, 0.0001806400000000, -0.0002363100000000 ] - [ -0.0001213000000000, 0.0000720100000000, -0.0006128400000000 ] - [ -0.0000961800000000, 0.0000521400000000, -0.0006731700000000 ] - [ 0.0004901900000000, -0.0000724100000000, -0.0009339100000000 ] - [ 0.0001414100000000, -0.0002052400000000, 0.0001030300000000 ] - [ 0.0000187000000000, 0.0005718800000000, 0.0002379900000000 ] - [ 0.0000138400000000, 0.0005573400000000, 0.0002101300000000 ] - [ 0.0010713500000000, -0.0004936100000000, -0.0000990400000000 ] - [ 0.0004560300000000, -0.0003112600000000, 0.0005063900000000 ] - [ -0.0003190700000000, 0.0014456800000000, 0.0029770300000000 ] - [ 0.0002297200000000, -0.0002087200000000, -0.0001062000000000 ] - [ -0.0003058200000000, -0.0004770800000000, 0.0002330500000000 ] - [ -0.0004340700000000, -0.0003766000000000, 0.0003470500000000 ] - [ 0.0003167100000000, 0.0000623800000000, -0.0002457600000000 ] - [ 0.0003489400000000, -0.0005193600000000, -0.0002624800000000 ] - [ 0.0000558600000000, -0.0006469100000000, -0.0005165800000000 ] - [ -0.0053361200000000, -0.0009657400000000, -0.0058197800000000 ] - [ 0.0000147400000000, 0.0005714200000000, 0.0004128700000000 ] - [ 0.0000182100000000, 0.0006195300000000, 0.0002786300000000 ] - [ -0.0001250400000000, 0.0002244800000000, -0.0001433900000000 ] - [ -0.0001395000000000, 0.0002236200000000, -0.0001357000000000 ] - [ 0.0012068800000000, 0.0002448600000000, -0.0039498800000000 ] - [ -0.0000496600000000, 0.0001770200000000, 0.0002228500000000 ] - [ -0.0001937300000000, 0.0004660900000000, -0.0000672900000000 ] - [ 0.0088147700000000, 0.0007691200000000, -0.0018945400000000 ] - [ -0.0002178300000000, -0.0001788600000000, 0.0001273700000000 ] - [ -0.0001420900000000, -0.0001319600000000, 0.0001135200000000 ] - [ 0.0003885800000000, -0.0000834400000000, -0.0000851300000000 ] - [ -0.0008844900000000, -0.0016260000000000, -0.0002110800000000 ] - [ -0.0003445800000000, -0.0000888700000000, 0.0002480600000000 ] - [ -0.0003494600000000, -0.0001011800000000, 0.0002420600000000 ] - [ 0.0000923300000000, 0.0001252500000000, 0.0014795400000000 ] - [ 0.0000759400000000, -0.0002340100000000, 0.0009098300000000 ] - [ 0.0000947900000000, 0.0001651600000000, -0.0001709200000000 ] - [ 0.0001075700000000, 0.0001510800000000, -0.0001897100000000 ] - [ -0.0000389200000000, 0.0005975100000000, -0.0002152100000000 ] - [ 0.0004718800000000, 0.0000003900000000, -0.0002123000000000 ] - [ 0.0002517700000000, 0.0001845300000000, 0.0003891200000000 ] - [ 0.0002142100000000, 0.0001318600000000, 0.0004445200000000 ]- atom: 51 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0013914400000000, 0.0030414100000000, 0.0001149500000000 ] - [ -0.0014569200000000, -0.0010824900000000, -0.0005022600000000 ] - [ 0.0005256300000000, 0.0000461100000000, -0.0000804500000000 ] - [ -0.0003382500000000, 0.0007350600000000, -0.0002181800000000 ] - [ 0.0001932600000000, 0.0024003900000000, -0.0007246900000000 ] - [ -0.0007181700000000, -0.0001625600000000, -0.0003258600000000 ] - [ 0.0064947700000000, -0.0006400800000000, 0.0012036500000000 ] - [ -0.0020461400000000, 0.0002324800000000, 0.0000679300000000 ] - [ -0.0003237500000000, -0.0000494000000000, 0.0004263900000000 ] - [ -0.0007624900000000, 0.0002112800000000, 0.0002873100000000 ] - [ 0.0036424900000000, -0.0027890100000000, 0.0041498800000000 ] - [ -0.0018216400000000, 0.0001910600000000, -0.0010641800000000 ] - [ 0.0008043900000000, 0.0017455900000000, 0.0001438600000000 ] - [ -0.0007605800000000, 0.0003474500000000, -0.0001208800000000 ] - [ 0.0003134400000000, 0.0003107600000000, -0.0003413600000000 ] - [ 0.0000538100000000, 0.0004585000000000, -0.0003856300000000 ] - [ 0.0001295200000000, -0.0021488300000000, -0.0019058900000000 ] - [ -0.0011085700000000, 0.0014993100000000, -0.0000943100000000 ] - [ -0.0022369500000000, -0.0032293400000000, 0.0019303400000000 ] - [ -0.0032188800000000, 0.0027459300000000, -0.0012666400000000 ] - [ 0.0006354900000000, 0.0013440000000000, 0.0005524100000000 ] - [ -0.0004457000000000, -0.0002261400000000, 0.0000737800000000 ] - [ 0.0006392200000000, 0.0002486500000000, 0.0004204500000000 ] - [ -0.0002987000000000, 0.0008288300000000, 0.0000969000000000 ] - [ 0.0283414600000000, -0.0093951500000000, 0.0086714100000000 ] - [ -0.0019535400000000, -0.0002941000000000, -0.0002601200000000 ] - [ 0.0038280500000000, -0.0011613100000000, 0.0007874600000000 ] - [ -0.0006000500000000, -0.0001876500000000, -0.0000781500000000 ] - [ 0.0005543000000000, -0.0006028100000000, 0.0023838700000000 ] - [ -0.0020882100000000, -0.0010232400000000, -0.0005954600000000 ] - [ 0.0007884700000000, -0.0005483300000000, 0.0000010000000000 ] - [ 0.0000183600000000, -0.0006721600000000, -0.0002549500000000 ] - [ 0.0136726500000000, -0.0059559600000000, 0.0006023600000000 ] - [ -0.0008402800000000, -0.0010217400000000, 0.0000553400000000 ] - [ -0.0004181900000000, 0.0002701700000000, 0.0006544700000000 ] - [ -0.0012654400000000, -0.0002370300000000, 0.0004118000000000 ] - [ 0.0001868100000000, -0.0012846800000000, -0.0001168800000000 ] - [ -0.0011740000000000, 0.0001194200000000, -0.0003157900000000 ] - [ 0.0019791600000000, -0.0010011900000000, 0.0005654200000000 ] - [ -0.0006870800000000, -0.0002069200000000, -0.0003818400000000 ] - [ 0.0030193200000000, 0.0000467000000000, 0.0007076700000000 ] - [ -0.0005788900000000, -0.0003514200000000, -0.0010136500000000 ] - [ 0.0005805700000000, 0.0001680100000000, 0.0001892000000000 ] - [ -0.0002263700000000, 0.0000750200000000, 0.0000213700000000 ] - [ 0.0004086200000000, -0.0007465700000000, 0.0002876200000000 ] - [ -0.0009352800000000, 0.0001342300000000, -0.0001344500000000 ] - [ -0.0002724500000000, -0.0001885300000000, -0.0002615800000000 ] - [ -0.0010996100000000, -0.0008496400000000, -0.0004591100000000 ] - [ -0.0008114400000000, 0.0007801900000000, -0.0001794700000000 ] - [ -0.0000576100000000, -0.0003509400000000, 0.0000454700000000 ] - [ -0.0812496000000000, 0.0291659600000000, -0.0199071200000000 ] - [ 0.0008699800000000, -0.0000698600000000, 0.0003859200000000 ] - [ 0.0007827200000000, -0.0003513200000000, -0.0003056800000000 ] - [ 0.0012167100000000, 0.0011777700000000, 0.0004889200000000 ] - [ -0.0002243500000000, -0.0012513800000000, 0.0003451400000000 ] - [ 0.0005328200000000, -0.0003173800000000, 0.0005679200000000 ] - [ -0.0002919400000000, -0.0000903800000000, -0.0001504300000000 ] - [ -0.0000874900000000, -0.0004049900000000, -0.0000894400000000 ] - [ -0.0016339500000000, -0.0016600900000000, 0.0030958800000000 ] - [ 0.0011138500000000, -0.0000546400000000, -0.0004028500000000 ] - [ -0.0021603700000000, -0.0027240600000000, 0.0020451600000000 ] - [ 0.0005426800000000, -0.0001166600000000, 0.0001477100000000 ] - [ -0.0009131700000000, 0.0002988200000000, -0.0000877100000000 ] - [ 0.0002970000000000, 0.0001149100000000, 0.0002513800000000 ] - [ 0.0086122700000000, 0.0048411100000000, 0.0050426000000000 ] - [ 0.0006983300000000, -0.0006520500000000, -0.0006158900000000 ] - [ 0.0007231400000000, 0.0010662200000000, 0.0002005800000000 ] - [ 0.0008340000000000, -0.0006132400000000, -0.0000629300000000 ] - [ -0.0000542700000000, -0.0001045600000000, -0.0001939300000000 ] - [ 0.0003681500000000, -0.0000177800000000, -0.0000699400000000 ] - [ -0.0003871600000000, 0.0000357700000000, 0.0002315200000000 ] - [ -0.0003726800000000, 0.0002046100000000, 0.0002395100000000 ] - [ -0.0002938700000000, 0.0002156800000000, -0.0000285400000000 ] - [ 0.0004844600000000, 0.0001787400000000, 0.0002562700000000 ] - [ -0.0012641400000000, -0.0006941500000000, -0.0010997500000000 ] - [ 0.0005040700000000, 0.0004067300000000, -0.0001571100000000 ] - [ -0.0002424200000000, -0.0002640300000000, -0.0002801800000000 ] - [ 0.0007328700000000, -0.0001375000000000, -0.0001637800000000 ] - [ -0.0000833900000000, -0.0005968800000000, -0.0000096300000000 ] - [ 0.0002068900000000, -0.0002436700000000, 0.0000400900000000 ] - [ -0.0005707100000000, -0.0010592800000000, -0.0001227000000000 ] - [ 0.0006265800000000, 0.0000342200000000, 0.0006600800000000 ] - [ -0.0022491300000000, -0.0029523800000000, -0.0036749600000000 ] - [ 0.0000005400000000, -0.0001368000000000, 0.0004838200000000 ] - [ -0.0022746400000000, 0.0007061200000000, -0.0018715500000000 ] - [ 0.0009657600000000, -0.0000001500000000, 0.0002349500000000 ] - [ 0.0002686500000000, -0.0005914600000000, 0.0003115100000000 ] - [ 0.0005788500000000, -0.0007507100000000, 0.0004072100000000 ] - [ 0.0002466200000000, 0.0010395900000000, -0.0004997200000000 ] - [ 0.0009415200000000, 0.0003388100000000, 0.0006300600000000 ] - [ 0.0000390200000000, 0.0008475200000000, -0.0002627200000000 ] - [ 0.0000378200000000, -0.0004288200000000, -0.0000394200000000 ] - [ -0.0019078100000000, 0.0009055200000000, -0.0002786600000000 ] - [ -0.0001346200000000, 0.0000369200000000, 0.0002239900000000 ] - [ -0.0001957300000000, -0.0000425300000000, -0.0000120100000000 ] - [ 0.0000111300000000, 0.0002780800000000, 0.0000625700000000 ] - [ 0.0004143400000000, 0.0004832500000000, -0.0002485200000000 ] - [ 0.0009522800000000, -0.0000811000000000, 0.0000204500000000 ] - [ -0.0005609200000000, -0.0002192900000000, 0.0005690200000000 ] - [ -0.0001017300000000, -0.0001235100000000, 0.0006947400000000 ] - [ -0.0001948400000000, -0.0000113800000000, -0.0000019600000000 ] - [ 0.0002368000000000, 0.0000807000000000, 0.0001049200000000 ] - [ -0.0000115800000000, 0.0005654400000000, 0.0001311300000000 ] - [ 0.0002345700000000, 0.0004510500000000, 0.0001867000000000 ] - [ 0.0207061600000000, -0.0079325500000000, 0.0017027900000000 ] - [ 0.0017186800000000, 0.0003573900000000, -0.0002126800000000 ] - [ -0.0006268100000000, 0.0000632100000000, -0.0007706400000000 ] - [ 0.0002696500000000, -0.0000250100000000, -0.0006008200000000 ] - [ -0.0008566000000000, 0.0016497500000000, -0.0005719700000000 ] - [ 0.0008173000000000, -0.0004481200000000, 0.0003356300000000 ] - [ -0.0003903600000000, -0.0010640300000000, 0.0001676500000000 ] - [ 0.0005408800000000, 0.0008405600000000, 0.0002901600000000 ] - [ 0.0005146700000000, -0.0004416000000000, -0.0003624400000000 ] - [ 0.0008792400000000, -0.0002622900000000, -0.0002318800000000 ] - [ 0.0020989800000000, 0.0053657200000000, 0.0004231700000000 ] - [ 0.0010376100000000, -0.0004464700000000, 0.0000440000000000 ] - [ 0.0065397300000000, -0.0041728700000000, -0.0044251900000000 ] - [ 0.0005597600000000, -0.0001645500000000, 0.0004516600000000 ] - [ 0.0001691800000000, -0.0006567600000000, -0.0002625100000000 ] - [ 0.0005141400000000, -0.0004846200000000, -0.0001765900000000 ] - [ 0.0000033100000000, -0.0011654300000000, -0.0004833300000000 ] - [ 0.0001315800000000, -0.0002321800000000, -0.0002624200000000 ] - [ -0.0000659300000000, 0.0003614500000000, 0.0002584900000000 ] - [ 0.0001510000000000, 0.0007058000000000, 0.0002959700000000 ] - [ -0.0011648800000000, 0.0003776800000000, -0.0008465900000000 ] - [ 0.0006290500000000, 0.0000757800000000, 0.0003253000000000 ] - [ -0.0001194000000000, 0.0005333800000000, 0.0001990700000000 ] - [ 0.0004804700000000, -0.0001303200000000, 0.0004010700000000 ] - [ -0.0000255900000000, -0.0002032300000000, -0.0000908000000000 ] - [ 0.0001713300000000, 0.0009341100000000, -0.0002512900000000 ] - [ -0.0002575400000000, 0.0000211900000000, 0.0001033900000000 ] - [ -0.0000821400000000, -0.0004330300000000, 0.0001386700000000 ] - [ 0.0003665700000000, -0.0001904700000000, -0.0000088800000000 ] - [ 0.0004194100000000, -0.0000371600000000, -0.0000032600000000 ] - [ -0.0019617900000000, 0.0019117500000000, 0.0001875300000000 ] - [ 0.0005228700000000, -0.0002226200000000, 0.0002467500000000 ] - [ -0.0010736000000000, -0.0041290700000000, 0.0010261300000000 ] - [ 0.0008881400000000, 0.0002736900000000, 0.0007883300000000 ] - [ -0.0004245100000000, 0.0005441500000000, -0.0001627300000000 ] - [ 0.0004813600000000, -0.0001559300000000, -0.0000725400000000 ] - [ 0.0014600900000000, -0.0008400600000000, 0.0005850200000000 ] - [ 0.0010828400000000, 0.0013404300000000, -0.0002563800000000 ] - [ -0.0001867500000000, 0.0001098200000000, 0.0003145500000000 ] - [ 0.0005947600000000, 0.0000876700000000, 0.0005744400000000 ]- atom: 51 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0009815800000000, -0.0024149900000000, -0.0006277700000000 ] - [ 0.0010509100000000, 0.0017186500000000, -0.0000109200000000 ] - [ -0.0003135800000000, 0.0007009000000000, -0.0001824500000000 ] - [ 0.0005483600000000, 0.0000108200000000, -0.0000457000000000 ] - [ -0.0001376100000000, -0.0009437600000000, 0.0005798800000000 ] - [ 0.0007822700000000, 0.0016155000000000, 0.0001841800000000 ] - [ -0.0067725400000000, 0.0012840400000000, -0.0002976900000000 ] - [ 0.0016373200000000, 0.0003554700000000, 0.0006240200000000 ] - [ -0.0007260800000000, 0.0000517200000000, 0.0002757100000000 ] - [ -0.0002833100000000, -0.0002075200000000, 0.0004157100000000 ] - [ -0.0024280700000000, 0.0028524400000000, -0.0049677900000000 ] - [ 0.0028743400000000, -0.0001882200000000, 0.0003644000000000 ] - [ -0.0008622400000000, -0.0003007400000000, 0.0000013500000000 ] - [ 0.0006963200000000, 0.0011098300000000, 0.0002640700000000 ] - [ 0.0000950200000000, 0.0002756800000000, -0.0003527200000000 ] - [ 0.0003583900000000, 0.0001283200000000, -0.0003071600000000 ] - [ -0.0003538000000000, 0.0029074100000000, 0.0021752500000000 ] - [ 0.0009049500000000, -0.0007470900000000, 0.0003635900000000 ] - [ 0.0018546800000000, 0.0042758000000000, -0.0024585800000000 ] - [ 0.0028361600000000, -0.0017085300000000, 0.0007444800000000 ] - [ -0.0002225900000000, -0.0007086600000000, -0.0000383400000000 ] - [ 0.0008522900000000, 0.0008674000000000, 0.0004389300000000 ] - [ -0.0002612200000000, 0.0007734600000000, 0.0000958000000000 ] - [ 0.0006745100000000, 0.0001926300000000, 0.0004193500000000 ] - [ -0.0303328100000000, 0.0104983100000000, -0.0097267200000000 ] - [ 0.0016495600000000, 0.0003669000000000, 0.0000758500000000 ] - [ -0.0028423900000000, 0.0004642400000000, -0.0004434100000000 ] - [ 0.0015797000000000, -0.0005229600000000, 0.0004214100000000 ] - [ -0.0013353100000000, -0.0007866600000000, -0.0021530600000000 ] - [ 0.0013185500000000, -0.0003710800000000, 0.0008529900000000 ] - [ -0.0000143600000000, -0.0008471000000000, -0.0002616600000000 ] - [ 0.0007555400000000, -0.0007203300000000, -0.0000060800000000 ] - [ -0.0122161000000000, 0.0042897800000000, 0.0001023400000000 ] - [ 0.0022451800000000, -0.0003486500000000, 0.0006624800000000 ] - [ -0.0013070300000000, -0.0004281300000000, 0.0003977100000000 ] - [ -0.0004576600000000, 0.0000791300000000, 0.0006408100000000 ] - [ -0.0011715900000000, 0.0005652800000000, -0.0002270600000000 ] - [ 0.0001988900000000, -0.0008264900000000, -0.0000220900000000 ] - [ -0.0013841200000000, 0.0003180400000000, -0.0007061900000000 ] - [ 0.0012804400000000, -0.0004777200000000, 0.0002412100000000 ] - [ -0.0012913500000000, -0.0002121200000000, -0.0017628700000000 ] - [ 0.0023048900000000, 0.0001888400000000, -0.0000447600000000 ] - [ -0.0002815200000000, -0.0000929800000000, 0.0000020100000000 ] - [ 0.0005267700000000, 0.0000023100000000, 0.0001695500000000 ] - [ -0.0010110700000000, 0.0000559700000000, -0.0001376400000000 ] - [ 0.0003398800000000, -0.0008197300000000, 0.0002858600000000 ] - [ -0.0011356700000000, -0.0011831800000000, -0.0004660900000000 ] - [ -0.0003042800000000, -0.0005216600000000, -0.0002683100000000 ] - [ -0.0003089600000000, -0.0007131700000000, 0.0000163400000000 ] - [ -0.0010622600000000, 0.0004184700000000, -0.0002085000000000 ] - [ 0.0820407200000000, -0.0299575600000000, 0.0209298000000000 ] - [ -0.0012064700000000, 0.0000373400000000, -0.0001287400000000 ] - [ -0.0005511500000000, 0.0007277700000000, 0.0002918000000000 ] - [ -0.0009877800000000, -0.0008048400000000, -0.0005118300000000 ] - [ 0.0001893700000000, 0.0000334600000000, 0.0004010900000000 ] - [ -0.0005626100000000, -0.0009068000000000, 0.0001821500000000 ] - [ -0.0000976500000000, -0.0003436900000000, -0.0000962600000000 ] - [ -0.0003046600000000, -0.0000298800000000, -0.0001576000000000 ] - [ 0.0022890000000000, 0.0013911300000000, -0.0043426900000000 ] - [ -0.0004882700000000, -0.0002005300000000, -0.0008758200000000 ] - [ 0.0020036600000000, 0.0020521400000000, -0.0020776700000000 ] - [ -0.0006714000000000, -0.0005819900000000, -0.0001454900000000 ] - [ 0.0007062200000000, -0.0000037800000000, 0.0004240200000000 ] - [ -0.0005036500000000, 0.0001826100000000, 0.0000867200000000 ] - [ -0.0096102300000000, -0.0061902000000000, -0.0058651200000000 ] - [ -0.0015503600000000, -0.0006185400000000, -0.0001100100000000 ] - [ 0.0004008700000000, -0.0010043300000000, -0.0000357800000000 ] - [ 0.0002825200000000, 0.0006762300000000, 0.0002234100000000 ] - [ 0.0003911600000000, 0.0000730600000000, -0.0000626200000000 ] - [ -0.0000325300000000, -0.0000144300000000, -0.0001871100000000 ] - [ -0.0003962500000000, 0.0003146900000000, 0.0002393000000000 ] - [ -0.0004123200000000, 0.0001457400000000, 0.0002309000000000 ] - [ 0.0005588800000000, 0.0002062400000000, 0.0002970800000000 ] - [ -0.0002200500000000, 0.0002437500000000, 0.0000118000000000 ] - [ 0.0007889500000000, 0.0009863100000000, 0.0002008700000000 ] - [ -0.0009824100000000, -0.0001140100000000, -0.0007459800000000 ] - [ 0.0009388200000000, 0.0000520600000000, -0.0001934700000000 ] - [ -0.0000372400000000, -0.0000728600000000, -0.0003104000000000 ] - [ 0.0002129400000000, -0.0000997400000000, 0.0000081800000000 ] - [ -0.0000787900000000, -0.0004529300000000, -0.0000420600000000 ] - [ -0.0002069700000000, 0.0009087500000000, 0.0001402400000000 ] - [ -0.0013993900000000, -0.0001766100000000, -0.0006409000000000 ] - [ 0.0008116700000000, 0.0023691800000000, 0.0042656400000000 ] - [ -0.0014028100000000, -0.0004596400000000, 0.0000793800000000 ] - [ 0.0022147600000000, -0.0005591100000000, 0.0017606300000000 ] - [ -0.0010345400000000, 0.0001534000000000, -0.0003419700000000 ] - [ 0.0005868100000000, -0.0006766700000000, 0.0004098700000000 ] - [ 0.0002771800000000, -0.0005178600000000, 0.0003143100000000 ] - [ -0.0004565500000000, 0.0000478000000000, 0.0001900800000000 ] - [ -0.0011581800000000, 0.0007514400000000, -0.0009416100000000 ] - [ -0.0001980100000000, -0.0005413800000000, -0.0002593500000000 ] - [ -0.0002049700000000, 0.0007361400000000, -0.0004827600000000 ] - [ 0.0005753400000000, -0.0005570600000000, 0.0003944300000000 ] - [ -0.0011955800000000, 0.0003137500000000, -0.0001106500000000 ] - [ -0.0000377300000000, 0.0004192300000000, 0.0000323100000000 ] - [ -0.0002425000000000, 0.0000961800000000, -0.0000412700000000 ] - [ 0.0009185700000000, -0.0001309900000000, 0.0001344800000000 ] - [ 0.0003765000000000, 0.0004292600000000, -0.0001339300000000 ] - [ -0.0000647800000000, -0.0000350500000000, 0.0007094300000000 ] - [ -0.0005238700000000, -0.0001326100000000, 0.0005836400000000 ] - [ 0.0002635000000000, 0.0001646100000000, 0.0001099000000000 ] - [ -0.0001693900000000, 0.0000716400000000, 0.0000027800000000 ] - [ 0.0002231300000000, 0.0005251500000000, 0.0001836100000000 ] - [ -0.0000220600000000, 0.0006392400000000, 0.0001283900000000 ] - [ -0.0194495700000000, 0.0080729900000000, -0.0021304200000000 ] - [ -0.0009360300000000, -0.0000101600000000, -0.0002564700000000 ] - [ 0.0004252300000000, 0.0000062000000000, -0.0005797100000000 ] - [ -0.0004711100000000, 0.0000906300000000, -0.0007500400000000 ] - [ 0.0012456100000000, -0.0020779200000000, 0.0008077400000000 ] - [ -0.0004264200000000, 0.0000141000000000, -0.0000890400000000 ] - [ 0.0004155900000000, 0.0021656600000000, 0.0002529600000000 ] - [ -0.0005042700000000, 0.0002550600000000, 0.0001313700000000 ] - [ 0.0008872100000000, -0.0001529400000000, -0.0002004400000000 ] - [ 0.0005214900000000, -0.0003321000000000, -0.0003312600000000 ] - [ -0.0016951500000000, -0.0057155900000000, -0.0006419000000000 ] - [ -0.0006446400000000, 0.0000473300000000, -0.0002723800000000 ] - [ -0.0073518100000000, 0.0031942400000000, 0.0049290300000000 ] - [ -0.0012656600000000, -0.0008711600000000, -0.0000122300000000 ] - [ 0.0005376200000000, -0.0003796100000000, -0.0001752500000000 ] - [ 0.0001929900000000, -0.0005533000000000, -0.0002612900000000 ] - [ 0.0000286700000000, -0.0000557800000000, -0.0002653300000000 ] - [ -0.0001008600000000, -0.0009895900000000, -0.0004876000000000 ] - [ 0.0001050100000000, 0.0008640100000000, 0.0003001800000000 ] - [ -0.0001089900000000, 0.0005173800000000, 0.0002630500000000 ] - [ 0.0009099900000000, 0.0000465000000000, 0.0005806100000000 ] - [ -0.0008918600000000, 0.0003441500000000, -0.0005916500000000 ] - [ 0.0002796100000000, -0.0002242000000000, 0.0003237700000000 ] - [ -0.0003187000000000, 0.0004397500000000, 0.0001220700000000 ] - [ -0.0000082600000000, 0.0013020500000000, -0.0003301100000000 ] - [ -0.0002077700000000, 0.0001647100000000, -0.0001690800000000 ] - [ -0.0001356300000000, -0.0004214800000000, 0.0001260500000000 ] - [ -0.0003146100000000, 0.0000321100000000, 0.0000893400000000 ] - [ 0.0004067200000000, 0.0000499000000000, -0.0000124700000000 ] - [ 0.0003524000000000, -0.0001040700000000, -0.0000183200000000 ] - [ 0.0012867300000000, -0.0020995600000000, 0.0002881600000000 ] - [ -0.0012185500000000, 0.0000094900000000, 0.0002258200000000 ] - [ 0.0012964600000000, 0.0041886600000000, 0.0003249700000000 ] - [ -0.0006866200000000, -0.0002063000000000, 0.0005632500000000 ] - [ 0.0006349500000000, -0.0002471200000000, -0.0001721400000000 ] - [ -0.0002759200000000, 0.0004518600000000, -0.0002653300000000 ] - [ -0.0015040000000000, 0.0020728200000000, -0.0011489100000000 ] - [ -0.0011234800000000, -0.0001145700000000, -0.0003019000000000 ] - [ 0.0006637300000000, 0.0001826000000000, 0.0005888500000000 ] - [ -0.0001185200000000, 0.0002021700000000, 0.0003291500000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020655600000000, -0.0006466100000000, -0.0007727300000000 ] - [ -0.0018069400000000, 0.0001696600000000, -0.0006283000000000 ] - [ -0.0003363900000000, -0.0010731300000000, -0.0004253200000000 ] - [ 0.0003505800000000, -0.0003753500000000, -0.0000674000000000 ] - [ 0.0012769600000000, -0.0005303700000000, 0.0014466100000000 ] - [ -0.0004583800000000, 0.0007011900000000, -0.0001979000000000 ] - [ -0.0001457300000000, 0.0082533400000000, 0.0007081500000000 ] - [ 0.0002837900000000, 0.0015343700000000, 0.0004224400000000 ] - [ -0.0006987300000000, -0.0013067300000000, 0.0003187200000000 ] - [ -0.0003451700000000, -0.0009056600000000, 0.0003981600000000 ] - [ -0.0017461600000000, 0.0065303000000000, 0.0011632500000000 ] - [ 0.0009656600000000, 0.0012308400000000, -0.0002093300000000 ] - [ 0.0004504800000000, -0.0014887800000000, 0.0008013000000000 ] - [ -0.0002719600000000, 0.0004151900000000, 0.0000236300000000 ] - [ 0.0001554500000000, -0.0008634700000000, -0.0003517200000000 ] - [ 0.0003521600000000, -0.0006684200000000, -0.0003008000000000 ] - [ -0.0015375100000000, 0.0011639400000000, -0.0013364700000000 ] - [ 0.0007908600000000, 0.0011098400000000, 0.0004798200000000 ] - [ -0.0035161700000000, 0.0016573500000000, 0.0006165300000000 ] - [ 0.0016261200000000, 0.0007451300000000, 0.0002639900000000 ] - [ 0.0008507900000000, -0.0012738800000000, -0.0000175000000000 ] - [ -0.0002110300000000, -0.0002121100000000, 0.0001279800000000 ] - [ -0.0002768100000000, -0.0008708900000000, 0.0003394400000000 ] - [ 0.0004643600000000, -0.0002338100000000, 0.0003418200000000 ] - [ -0.0103129100000000, 0.0159797000000000, -0.0047491200000000 ] - [ -0.0002215500000000, 0.0011137200000000, -0.0001661200000000 ] - [ -0.0012509400000000, -0.0046605700000000, 0.0001788700000000 ] - [ 0.0007156000000000, -0.0003867600000000, 0.0002419200000000 ] - [ -0.0002924700000000, 0.0014852300000000, 0.0002159300000000 ] - [ -0.0005330700000000, 0.0002749700000000, 0.0001404300000000 ] - [ 0.0003665300000000, -0.0018635800000000, -0.0001102800000000 ] - [ 0.0003967400000000, -0.0012715200000000, -0.0001224500000000 ] - [ -0.0028601900000000, 0.0186433200000000, 0.0008707500000000 ] - [ 0.0007200000000000, -0.0001149300000000, 0.0003701100000000 ] - [ -0.0007418900000000, -0.0011375500000000, 0.0005616700000000 ] - [ -0.0009588000000000, -0.0006525300000000, 0.0004903300000000 ] - [ -0.0016788900000000, -0.0027512900000000, -0.0008812600000000 ] - [ -0.0001230400000000, -0.0006727200000000, -0.0000824000000000 ] - [ -0.0001604200000000, -0.0009854000000000, -0.0002635100000000 ] - [ 0.0004997700000000, -0.0003229300000000, -0.0000167100000000 ] - [ 0.0009188300000000, 0.0014561300000000, -0.0002508300000000 ] - [ 0.0008720800000000, 0.0004745100000000, -0.0005352000000000 ] - [ 0.0001586800000000, -0.0013242500000000, 0.0000954100000000 ] - [ 0.0001448900000000, -0.0005551000000000, 0.0000928700000000 ] - [ -0.0008561400000000, -0.0012635300000000, -0.0000297400000000 ] - [ 0.0001100300000000, -0.0007064800000000, 0.0002054300000000 ] - [ -0.0005037600000000, -0.0021163200000000, -0.0003291900000000 ] - [ -0.0007945000000000, -0.0012784700000000, -0.0003796100000000 ] - [ -0.0000961500000000, 0.0009698900000000, -0.0000177000000000 ] - [ -0.0009546000000000, 0.0003488000000000, -0.0001691300000000 ] - [ 0.0291559700000000, -0.0604195300000000, 0.0044115800000000 ] - [ -0.0002220700000000, -0.0004294500000000, 0.0001084600000000 ] - [ -0.0005687000000000, -0.0001552500000000, -0.0002165600000000 ] - [ 0.0005270700000000, -0.0001910000000000, 0.0003157600000000 ] - [ -0.0005960400000000, -0.0000169900000000, -0.0001090700000000 ] - [ 0.0002213100000000, -0.0006514300000000, 0.0004805800000000 ] - [ 0.0000141700000000, 0.0003765300000000, -0.0001269900000000 ] - [ -0.0002885400000000, 0.0001802800000000, -0.0001760900000000 ] - [ -0.0009167400000000, -0.0007902500000000, -0.0060268500000000 ] - [ 0.0003689600000000, -0.0005095600000000, -0.0006156500000000 ] - [ -0.0024143800000000, 0.0028621700000000, -0.0071877300000000 ] - [ -0.0000824200000000, -0.0007077300000000, 0.0000026300000000 ] - [ 0.0001995300000000, 0.0011911800000000, 0.0009522100000000 ] - [ -0.0001702900000000, 0.0002061500000000, 0.0001652700000000 ] - [ 0.0034445600000000, -0.0025951800000000, 0.0014517000000000 ] - [ -0.0008523100000000, -0.0012939400000000, -0.0002638800000000 ] - [ 0.0014637400000000, 0.0003078600000000, 0.0004295600000000 ] - [ 0.0000336700000000, 0.0001492000000000, 0.0000989000000000 ] - [ 0.0002570600000000, 0.0006371300000000, -0.0000863200000000 ] - [ 0.0001702800000000, 0.0003023800000000, -0.0001273900000000 ] - [ -0.0003990700000000, 0.0007359600000000, 0.0002629900000000 ] - [ -0.0002517200000000, 0.0006372300000000, 0.0002833200000000 ] - [ 0.0001010100000000, 0.0008495400000000, 0.0001369100000000 ] - [ 0.0000630300000000, 0.0004033500000000, 0.0001236000000000 ] - [ -0.0004203000000000, 0.0003038500000000, -0.0003479100000000 ] - [ -0.0001316600000000, -0.0000149100000000, -0.0003732300000000 ] - [ 0.0004423200000000, 0.0010078100000000, -0.0003823700000000 ] - [ 0.0002993500000000, 0.0000818100000000, -0.0002634300000000 ] - [ -0.0000280000000000, 0.0003056000000000, -0.0001060800000000 ] - [ 0.0000907300000000, 0.0000068500000000, 0.0000110300000000 ] - [ -0.0007682400000000, -0.0020875300000000, -0.0001664100000000 ] - [ -0.0001042100000000, -0.0006934200000000, 0.0001846800000000 ] - [ -0.0041277900000000, 0.0017283600000000, 0.0079393200000000 ] - [ -0.0007459700000000, -0.0006195700000000, 0.0002663000000000 ] - [ 0.0005756400000000, -0.0024204200000000, 0.0000391500000000 ] - [ -0.0000546900000000, -0.0003248300000000, -0.0000549600000000 ] - [ 0.0004002700000000, 0.0001050400000000, 0.0003305700000000 ] - [ 0.0003557700000000, -0.0002382000000000, 0.0003242300000000 ] - [ -0.0001880300000000, -0.0008412600000000, -0.0000993400000000 ] - [ -0.0001176200000000, -0.0004263000000000, -0.0003843000000000 ] - [ 0.0003904700000000, 0.0002851500000000, -0.0001768600000000 ] - [ -0.0006975100000000, 0.0003324000000000, -0.0005656500000000 ] - [ 0.0000037200000000, 0.0008672800000000, -0.0008343100000000 ] - [ -0.0007592400000000, 0.0001192800000000, 0.0000166900000000 ] - [ -0.0003106300000000, 0.0008598800000000, -0.0001213100000000 ] - [ -0.0000797300000000, 0.0005060000000000, 0.0000218200000000 ] - [ 0.0011529900000000, 0.0010748900000000, -0.0003304300000000 ] - [ 0.0005176100000000, 0.0003996500000000, -0.0000915500000000 ] - [ -0.0002362800000000, 0.0004874300000000, 0.0006202200000000 ] - [ -0.0003120100000000, 0.0001333000000000, 0.0006381100000000 ] - [ 0.0001360600000000, 0.0006675500000000, 0.0000682900000000 ] - [ 0.0000499800000000, 0.0003917500000000, 0.0000603200000000 ] - [ 0.0001037200000000, 0.0012118100000000, 0.0001939900000000 ] - [ 0.0000687200000000, 0.0009496800000000, 0.0001646700000000 ] - [ -0.0086794500000000, -0.0017909500000000, -0.0009370800000000 ] - [ 0.0007186200000000, -0.0005503900000000, -0.0002349200000000 ] - [ -0.0002327200000000, 0.0010476500000000, -0.0006172800000000 ] - [ -0.0001430600000000, 0.0002412500000000, -0.0006938100000000 ] - [ 0.0005864200000000, -0.0006494200000000, 0.0000616100000000 ] - [ -0.0000028700000000, -0.0005292300000000, 0.0000240100000000 ] - [ -0.0013959800000000, 0.0024369200000000, 0.0001142000000000 ] - [ 0.0002382200000000, 0.0004990400000000, 0.0002255100000000 ] - [ 0.0006011200000000, 0.0003208000000000, -0.0002395200000000 ] - [ 0.0007065000000000, 0.0000021500000000, -0.0002824700000000 ] - [ 0.0064817500000000, 0.0036741800000000, 0.0011393900000000 ] - [ -0.0002435900000000, -0.0005097400000000, -0.0001849200000000 ] - [ -0.0039009000000000, -0.0019267100000000, 0.0019939200000000 ] - [ -0.0002833200000000, -0.0012480400000000, 0.0002080600000000 ] - [ 0.0003768400000000, 0.0001674300000000, -0.0001840000000000 ] - [ 0.0003797900000000, -0.0001727300000000, -0.0002100000000000 ] - [ -0.0001792800000000, -0.0000371700000000, -0.0004159700000000 ] - [ 0.0002071700000000, -0.0003358500000000, -0.0002184300000000 ] - [ -0.0002293100000000, 0.0013039900000000, 0.0002665000000000 ] - [ 0.0000979000000000, 0.0009072600000000, 0.0002890600000000 ] - [ 0.0006583600000000, 0.0004099800000000, -0.0001066600000000 ] - [ -0.0003855400000000, 0.0000789000000000, -0.0002884300000000 ] - [ 0.0004263100000000, 0.0005025800000000, 0.0003603700000000 ] - [ -0.0003353700000000, 0.0004306600000000, 0.0001174300000000 ] - [ -0.0005098100000000, 0.0014807700000000, -0.0003643300000000 ] - [ 0.0002141600000000, 0.0008316200000000, -0.0002650900000000 ] - [ 0.0000425500000000, 0.0004236300000000, 0.0002235900000000 ] - [ -0.0004132700000000, 0.0002088100000000, 0.0000821100000000 ] - [ 0.0004120800000000, 0.0004489500000000, -0.0000420000000000 ] - [ 0.0005485200000000, 0.0004141600000000, 0.0000092800000000 ] - [ 0.0024580100000000, 0.0055216200000000, 0.0006144800000000 ] - [ -0.0006085200000000, -0.0002063300000000, 0.0002365500000000 ] - [ -0.0033622600000000, 0.0072799100000000, -0.0006229000000000 ] - [ 0.0002262300000000, -0.0001444900000000, 0.0006634500000000 ] - [ 0.0004617200000000, 0.0006300300000000, 0.0003474400000000 ] - [ -0.0000781300000000, 0.0002616700000000, -0.0002209600000000 ] - [ -0.0015730000000000, 0.0002336500000000, -0.0008060800000000 ] - [ 0.0006759400000000, 0.0002603900000000, -0.0002901500000000 ] - [ 0.0002358800000000, 0.0007543000000000, 0.0004264500000000 ] - [ 0.0001931400000000, 0.0003468500000000, 0.0004485700000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0024644900000000, 0.0012952800000000, 0.0002536700000000 ] - [ 0.0013940300000000, 0.0004722700000000, 0.0001137200000000 ] - [ 0.0005456000000000, 0.0018217300000000, 0.0001599900000000 ] - [ -0.0001387000000000, 0.0011253700000000, -0.0001958400000000 ] - [ -0.0012117900000000, 0.0019923100000000, -0.0015792600000000 ] - [ 0.0005213100000000, 0.0007584000000000, 0.0000556800000000 ] - [ -0.0002564400000000, -0.0076707600000000, -0.0000047200000000 ] - [ -0.0006962600000000, -0.0009450600000000, 0.0002702800000000 ] - [ -0.0003474700000000, 0.0013129200000000, 0.0003834500000000 ] - [ -0.0007045300000000, 0.0009105000000000, 0.0003036300000000 ] - [ 0.0028346100000000, -0.0064973200000000, -0.0018991200000000 ] - [ 0.0000796600000000, -0.0012238100000000, -0.0004934600000000 ] - [ -0.0005171200000000, 0.0029500300000000, -0.0006644700000000 ] - [ 0.0002100400000000, 0.0010369000000000, 0.0001195500000000 ] - [ 0.0002555200000000, 0.0014528500000000, -0.0003411400000000 ] - [ 0.0000562200000000, 0.0012579600000000, -0.0003930800000000 ] - [ 0.0013313000000000, -0.0004313400000000, 0.0015977600000000 ] - [ -0.0010039300000000, -0.0003683400000000, -0.0002179800000000 ] - [ 0.0031512800000000, -0.0006542000000000, -0.0011298800000000 ] - [ -0.0020010000000000, 0.0002683500000000, -0.0007788300000000 ] - [ -0.0004475400000000, 0.0019149200000000, 0.0005325400000000 ] - [ 0.0006209100000000, 0.0008487600000000, 0.0003854600000000 ] - [ 0.0006513800000000, 0.0018947800000000, 0.0001776200000000 ] - [ -0.0000862700000000, 0.0012585500000000, 0.0001747200000000 ] - [ 0.0095619200000000, -0.0158061700000000, 0.0043638600000000 ] - [ -0.0000789400000000, -0.0010391700000000, -0.0000186400000000 ] - [ 0.0022172700000000, 0.0039254300000000, 0.0001655400000000 ] - [ 0.0002633500000000, -0.0003230400000000, 0.0001016800000000 ] - [ -0.0004839900000000, -0.0028737800000000, 0.0000427000000000 ] - [ -0.0002354900000000, -0.0016670500000000, 0.0001182200000000 ] - [ 0.0004071600000000, 0.0004721000000000, -0.0001507100000000 ] - [ 0.0003776100000000, -0.0001213700000000, -0.0001384200000000 ] - [ 0.0050549500000000, -0.0218491600000000, -0.0002376500000000 ] - [ 0.0006849900000000, -0.0012607400000000, 0.0003474800000000 ] - [ -0.0009814900000000, 0.0009823600000000, 0.0004903900000000 ] - [ -0.0007659800000000, 0.0004969100000000, 0.0005618600000000 ] - [ 0.0007119900000000, 0.0020542100000000, 0.0005470700000000 ] - [ -0.0008548800000000, -0.0000387800000000, -0.0002560200000000 ] - [ 0.0007517800000000, 0.0003103500000000, 0.0001209000000000 ] - [ 0.0000930900000000, -0.0003567200000000, -0.0001237000000000 ] - [ 0.0008111000000000, -0.0016353100000000, -0.0008132900000000 ] - [ 0.0008536500000000, -0.0006420100000000, -0.0005242500000000 ] - [ 0.0001407400000000, 0.0014083600000000, 0.0000965000000000 ] - [ 0.0001551500000000, 0.0006318300000000, 0.0000983000000000 ] - [ 0.0002622400000000, 0.0005745000000000, 0.0001797200000000 ] - [ -0.0007085100000000, 0.0000168400000000, -0.0000551100000000 ] - [ -0.0009003200000000, 0.0007447200000000, -0.0004002800000000 ] - [ -0.0006123400000000, -0.0000923300000000, -0.0003484700000000 ] - [ -0.0010207300000000, -0.0009033200000000, -0.0001455000000000 ] - [ -0.0001651600000000, -0.0002848900000000, 0.0000056100000000 ] - [ -0.0299672400000000, 0.0620671400000000, -0.0038321300000000 ] - [ -0.0001136800000000, 0.0003976600000000, 0.0001486500000000 ] - [ 0.0008025100000000, 0.0005246500000000, 0.0001952300000000 ] - [ -0.0003023400000000, 0.0005563900000000, -0.0003364800000000 ] - [ 0.0005679900000000, -0.0012058500000000, 0.0008617000000000 ] - [ -0.0002509100000000, -0.0005693100000000, 0.0002685100000000 ] - [ -0.0004067100000000, -0.0008118400000000, -0.0001206700000000 ] - [ -0.0001025900000000, -0.0006150600000000, -0.0000716300000000 ] - [ 0.0015406700000000, 0.0005046200000000, 0.0047489300000000 ] - [ 0.0002559100000000, 0.0002534100000000, -0.0006630500000000 ] - [ 0.0023177900000000, -0.0035929600000000, 0.0072744400000000 ] - [ -0.0000448400000000, 0.0000120800000000, -0.0000004400000000 ] - [ -0.0004038800000000, -0.0008944800000000, -0.0006088100000000 ] - [ -0.0000355600000000, 0.0000876500000000, 0.0001726500000000 ] - [ -0.0042801600000000, 0.0013669900000000, -0.0021649000000000 ] - [ -0.0000053500000000, 0.0000270100000000, -0.0004570300000000 ] - [ -0.0003510000000000, -0.0002392600000000, -0.0002690200000000 ] - [ 0.0010872000000000, -0.0000813500000000, 0.0000649100000000 ] - [ 0.0000785200000000, -0.0006690100000000, -0.0001709400000000 ] - [ 0.0001657900000000, -0.0003343300000000, -0.0001296500000000 ] - [ -0.0003869100000000, -0.0003854200000000, 0.0002068900000000 ] - [ -0.0005325800000000, -0.0002867500000000, 0.0001870700000000 ] - [ 0.0001635000000000, -0.0004289200000000, 0.0001320200000000 ] - [ 0.0002013400000000, 0.0000170200000000, 0.0001450500000000 ] - [ -0.0000596100000000, -0.0000193400000000, -0.0005531400000000 ] - [ -0.0003474000000000, 0.0003037100000000, -0.0005286200000000 ] - [ 0.0002553000000000, -0.0012164500000000, -0.0000933600000000 ] - [ 0.0003968200000000, -0.0002943700000000, -0.0002114600000000 ] - [ 0.0001554800000000, -0.0010030500000000, 0.0001030800000000 ] - [ 0.0000370200000000, -0.0007048800000000, -0.0000130400000000 ] - [ -0.0000020500000000, 0.0019556300000000, 0.0001884700000000 ] - [ -0.0006647300000000, 0.0005539900000000, -0.0001604400000000 ] - [ 0.0027582000000000, -0.0023245100000000, -0.0074428100000000 ] - [ -0.0006542600000000, 0.0000265400000000, 0.0002974000000000 ] - [ -0.0006417900000000, 0.0025814900000000, -0.0001571900000000 ] - [ -0.0000133600000000, 0.0004790700000000, -0.0000523200000000 ] - [ 0.0004564900000000, -0.0013731400000000, 0.0003910100000000 ] - [ 0.0005001900000000, -0.0010300600000000, 0.0003971200000000 ] - [ -0.0000226400000000, 0.0019355900000000, -0.0002152300000000 ] - [ -0.0000980400000000, 0.0015203900000000, 0.0000673300000000 ] - [ -0.0005540500000000, 0.0000254900000000, -0.0003461700000000 ] - [ 0.0005384900000000, -0.0000225900000000, 0.0000433000000000 ] - [ -0.0013289700000000, -0.0005218100000000, 0.0009415000000000 ] - [ -0.0005700800000000, 0.0002275100000000, 0.0000969900000000 ] - [ 0.0000796800000000, -0.0004864900000000, 0.0001423300000000 ] - [ -0.0001527500000000, -0.0001312600000000, -0.0000018000000000 ] - [ 0.0001727400000000, -0.0007300900000000, 0.0002197400000000 ] - [ 0.0008119300000000, -0.0000504000000000, -0.0000222500000000 ] - [ -0.0003892400000000, -0.0007439300000000, 0.0006586100000000 ] - [ -0.0003129300000000, -0.0003889300000000, 0.0006400700000000 ] - [ -0.0000683200000000, -0.0005147500000000, 0.0000393800000000 ] - [ 0.0000180300000000, -0.0002391400000000, 0.0000473100000000 ] - [ 0.0001091000000000, -0.0001214900000000, 0.0001209900000000 ] - [ 0.0001432100000000, 0.0001406700000000, 0.0001500600000000 ] - [ 0.0094465800000000, 0.0022023800000000, 0.0004608100000000 ] - [ 0.0000692800000000, 0.0009024800000000, -0.0002366500000000 ] - [ 0.0000329300000000, -0.0009862400000000, -0.0007333400000000 ] - [ -0.0000583000000000, -0.0001753500000000, -0.0006559600000000 ] - [ -0.0001919400000000, 0.0002028000000000, 0.0001882000000000 ] - [ 0.0003951900000000, 0.0000924500000000, 0.0002238300000000 ] - [ 0.0014458800000000, -0.0013489100000000, 0.0003083000000000 ] - [ -0.0002019900000000, 0.0006001100000000, 0.0001964200000000 ] - [ 0.0007988500000000, -0.0009145900000000, -0.0003234300000000 ] - [ 0.0006940800000000, -0.0005962700000000, -0.0002810200000000 ] - [ -0.0059968400000000, -0.0040274000000000, -0.0013506800000000 ] - [ 0.0006394300000000, 0.0001061300000000, -0.0000440000000000 ] - [ 0.0032089900000000, 0.0008593100000000, -0.0015663900000000 ] - [ -0.0004251200000000, 0.0002081100000000, 0.0002298100000000 ] - [ 0.0003312400000000, -0.0012060100000000, -0.0002540900000000 ] - [ 0.0003277600000000, -0.0008652300000000, -0.0002279100000000 ] - [ 0.0002095700000000, -0.0011871700000000, -0.0003341000000000 ] - [ -0.0001757500000000, -0.0008885000000000, -0.0005305000000000 ] - [ 0.0002722300000000, -0.0000819600000000, 0.0002928400000000 ] - [ -0.0000572500000000, 0.0003163700000000, 0.0002700700000000 ] - [ -0.0009239600000000, 0.0000142300000000, -0.0001614700000000 ] - [ 0.0001234600000000, 0.0003443400000000, 0.0000185800000000 ] - [ -0.0002636600000000, -0.0001969300000000, 0.0001636100000000 ] - [ 0.0004959300000000, -0.0001241500000000, 0.0004056900000000 ] - [ 0.0004690300000000, -0.0003815400000000, -0.0000579100000000 ] - [ -0.0002500900000000, 0.0002645000000000, -0.0001565400000000 ] - [ -0.0004400600000000, -0.0008258600000000, 0.0000045800000000 ] - [ 0.0000180500000000, -0.0006102500000000, 0.0001467600000000 ] - [ 0.0003589000000000, -0.0005900100000000, 0.0000200400000000 ] - [ 0.0002239100000000, -0.0005546500000000, -0.0000310400000000 ] - [ -0.0031886700000000, -0.0058111400000000, -0.0001452700000000 ] - [ -0.0000883100000000, -0.0000033500000000, 0.0002382900000000 ] - [ 0.0034988900000000, -0.0071031200000000, 0.0019500600000000 ] - [ -0.0000247900000000, 0.0002083000000000, 0.0006864600000000 ] - [ -0.0002581400000000, -0.0003343500000000, -0.0006899300000000 ] - [ 0.0002839000000000, 0.0000350200000000, -0.0001164800000000 ] - [ 0.0015305900000000, 0.0009807600000000, 0.0002468500000000 ] - [ -0.0007205300000000, 0.0009594000000000, -0.0002711100000000 ] - [ 0.0002413100000000, -0.0004652200000000, 0.0004764600000000 ] - [ 0.0002840300000000, -0.0000568000000000, 0.0004538800000000 ]- atom: 51 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ 0.0001769700000000, -0.0006457300000000, -0.0000151700000000 ] - [ -0.0002780200000000, 0.0002219200000000, 0.0002828000000000 ] - [ 0.0001171400000000, 0.0002969900000000, -0.0001124800000000 ] - [ 0.0000776900000000, 0.0003784000000000, -0.0001839200000000 ] - [ -0.0005817100000000, 0.0018264800000000, -0.0002760300000000 ] - [ 0.0001282400000000, 0.0005823200000000, -0.0005344400000000 ] - [ -0.0008294100000000, -0.0007414500000000, 0.0043585300000000 ] - [ -0.0001233100000000, 0.0002863700000000, 0.0000777000000000 ] - [ -0.0005093600000000, 0.0000320200000000, 0.0003580100000000 ] - [ -0.0005391200000000, 0.0000204400000000, 0.0003700400000000 ] - [ 0.0042559500000000, 0.0024092100000000, -0.0016801500000000 ] - [ 0.0002963800000000, 0.0000206400000000, -0.0002327700000000 ] - [ -0.0001294800000000, 0.0015358100000000, 0.0001571600000000 ] - [ -0.0000539200000000, 0.0007247400000000, 0.0000303800000000 ] - [ 0.0001902900000000, 0.0003011500000000, -0.0003542000000000 ] - [ 0.0002075300000000, 0.0003181300000000, -0.0003692700000000 ] - [ -0.0009414200000000, -0.0004182800000000, -0.0006082600000000 ] - [ -0.0001425700000000, 0.0005888200000000, -0.0005586300000000 ] - [ 0.0013084300000000, 0.0016606900000000, 0.0003664000000000 ] - [ -0.0000981400000000, 0.0003995500000000, 0.0003664400000000 ] - [ 0.0003896600000000, 0.0000196100000000, 0.0002408300000000 ] - [ 0.0001503000000000, 0.0002989700000000, 0.0002813200000000 ] - [ 0.0002904000000000, 0.0006573500000000, 0.0002735100000000 ] - [ 0.0001359200000000, 0.0005176500000000, 0.0002825600000000 ] - [ 0.0014351100000000, -0.0018670500000000, 0.0102464500000000 ] - [ 0.0001562800000000, -0.0000352000000000, -0.0000233800000000 ] - [ 0.0003782200000000, -0.0001942100000000, 0.0011700000000000 ] - [ 0.0005137400000000, -0.0003732600000000, 0.0001774800000000 ] - [ 0.0013399300000000, -0.0014865100000000, -0.0044311600000000 ] - [ -0.0010733900000000, -0.0007463500000000, 0.0000671500000000 ] - [ 0.0004289900000000, -0.0006684000000000, -0.0001533400000000 ] - [ 0.0003583400000000, -0.0006922200000000, -0.0001384000000000 ] - [ -0.0024782000000000, 0.0016100300000000, 0.0099225100000000 ] - [ 0.0007401300000000, -0.0006614300000000, 0.0003602000000000 ] - [ -0.0008578700000000, -0.0000488000000000, 0.0004759200000000 ] - [ -0.0008877000000000, -0.0001097200000000, 0.0005183900000000 ] - [ -0.0005010900000000, -0.0003552600000000, 0.0000918100000000 ] - [ -0.0004701600000000, -0.0003636100000000, -0.0001889000000000 ] - [ 0.0005911700000000, -0.0004707700000000, -0.0008254600000000 ] - [ 0.0001545600000000, -0.0003714300000000, -0.0001167300000000 ] - [ 0.0024902100000000, 0.0006878200000000, -0.0053713300000000 ] - [ 0.0006795900000000, -0.0000721500000000, -0.0005967300000000 ] - [ 0.0001731400000000, 0.0000645900000000, 0.0001364700000000 ] - [ 0.0001315300000000, 0.0000425200000000, 0.0000937300000000 ] - [ -0.0001983300000000, -0.0003121600000000, -0.0001581100000000 ] - [ -0.0004029000000000, -0.0002717900000000, 0.0000603800000000 ] - [ -0.0007320200000000, -0.0006308700000000, -0.0003194500000000 ] - [ -0.0006979700000000, -0.0006874900000000, -0.0003660300000000 ] - [ -0.0005999800000000, 0.0000100200000000, -0.0002042400000000 ] - [ -0.0006085100000000, 0.0000925900000000, -0.0001035400000000 ] - [ 0.0008788500000000, -0.0036461300000000, -0.0337524900000000 ] - [ -0.0001847800000000, -0.0000226200000000, 0.0001242500000000 ] - [ 0.0001378000000000, 0.0002095200000000, 0.0008814500000000 ] - [ 0.0013219700000000, 0.0014215200000000, 0.0002996000000000 ] - [ -0.0003752600000000, -0.0006894000000000, 0.0012099700000000 ] - [ 0.0000877700000000, -0.0005556100000000, 0.0004058700000000 ] - [ -0.0002049000000000, -0.0002126300000000, -0.0000920000000000 ] - [ -0.0001801300000000, -0.0002548200000000, -0.0001199700000000 ] - [ 0.0032767200000000, -0.0039195700000000, 0.0071429300000000 ] - [ 0.0003450700000000, -0.0001084600000000, -0.0004334600000000 ] - [ 0.0021618300000000, -0.0057752900000000, 0.0037905100000000 ] - [ -0.0000504800000000, -0.0003545700000000, 0.0000394500000000 ] - [ -0.0000927700000000, 0.0003992300000000, 0.0001480900000000 ] - [ -0.0000805900000000, 0.0001616100000000, 0.0001817700000000 ] - [ 0.0022987700000000, 0.0003209000000000, -0.0021099000000000 ] - [ -0.0005899300000000, -0.0005430000000000, -0.0002713400000000 ] - [ 0.0005819800000000, 0.0000891000000000, -0.0001080100000000 ] - [ 0.0004785500000000, 0.0000576200000000, 0.0001227400000000 ] - [ 0.0001615400000000, -0.0000339600000000, -0.0001416000000000 ] - [ 0.0001733500000000, -0.0000166000000000, -0.0001255900000000 ] - [ -0.0003795100000000, 0.0001642700000000, 0.0002286600000000 ] - [ -0.0004121900000000, 0.0001614700000000, 0.0002298200000000 ] - [ 0.0001054600000000, 0.0001544500000000, 0.0002294700000000 ] - [ 0.0001683900000000, 0.0002212200000000, 0.0001469000000000 ] - [ -0.0005663400000000, 0.0002663700000000, 0.0004679700000000 ] - [ -0.0000295100000000, 0.0002440900000000, -0.0004345000000000 ] - [ 0.0003756600000000, -0.0002005800000000, -0.0003242600000000 ] - [ 0.0003503100000000, -0.0001004900000000, -0.0002359500000000 ] - [ 0.0000703200000000, -0.0004076200000000, 0.0000075900000000 ] - [ 0.0000632900000000, -0.0003381700000000, 0.0000108500000000 ] - [ -0.0012449900000000, -0.0000088500000000, 0.0022308000000000 ] - [ -0.0001898900000000, -0.0000894900000000, 0.0001285100000000 ] - [ -0.0044408800000000, 0.0062368400000000, 0.0076021100000000 ] - [ -0.0006515900000000, -0.0003004900000000, 0.0002842600000000 ] - [ -0.0015321100000000, -0.0000837600000000, 0.0042271900000000 ] - [ 0.0001229400000000, 0.0000604100000000, -0.0000266500000000 ] - [ 0.0004202900000000, -0.0006513600000000, 0.0003339100000000 ] - [ 0.0004362800000000, -0.0006367200000000, 0.0003636000000000 ] - [ -0.0003945300000000, 0.0005001200000000, 0.0006562200000000 ] - [ 0.0008138500000000, 0.0000170400000000, -0.0000560500000000 ] - [ -0.0001416100000000, 0.0001516200000000, -0.0001121600000000 ] - [ 0.0001153600000000, 0.0000079600000000, -0.0002780900000000 ] - [ -0.0008210400000000, -0.0006814800000000, 0.0001950200000000 ] - [ -0.0006272100000000, 0.0001797000000000, 0.0000611400000000 ] - [ -0.0001330900000000, 0.0001483100000000, 0.0000704100000000 ] - [ -0.0000993100000000, 0.0001914700000000, 0.0000180600000000 ] - [ 0.0006213900000000, 0.0001194600000000, -0.0000779700000000 ] - [ 0.0006849200000000, 0.0001692600000000, -0.0000819600000000 ] - [ -0.0003390500000000, -0.0001677500000000, 0.0006311800000000 ] - [ -0.0003017800000000, -0.0001292300000000, 0.0006427500000000 ] - [ 0.0000199900000000, 0.0000579600000000, 0.0000618500000000 ] - [ 0.0000464100000000, 0.0000755200000000, 0.0000571400000000 ] - [ 0.0000872100000000, 0.0005296600000000, 0.0001725500000000 ] - [ 0.0001209000000000, 0.0005402200000000, 0.0001620700000000 ] - [ -0.0030115300000000, 0.0016340600000000, -0.0047420200000000 ] - [ 0.0002944800000000, 0.0001269700000000, -0.0003744200000000 ] - [ -0.0000980600000000, 0.0000397100000000, -0.0007567700000000 ] - [ -0.0000882400000000, 0.0000269500000000, -0.0006708300000000 ] - [ -0.0005634800000000, 0.0000212300000000, 0.0028438200000000 ] - [ 0.0002810200000000, -0.0002220600000000, 0.0001692700000000 ] - [ 0.0000652000000000, 0.0008083700000000, -0.0005387300000000 ] - [ -0.0000005100000000, 0.0005150400000000, 0.0001950300000000 ] - [ 0.0006970100000000, -0.0003017400000000, -0.0002887000000000 ] - [ 0.0007078200000000, -0.0002934300000000, -0.0002880000000000 ] - [ 0.0004278600000000, -0.0003252400000000, -0.0025995700000000 ] - [ 0.0001100000000000, -0.0001655100000000, -0.0001433100000000 ] - [ -0.0057544600000000, 0.0018698700000000, 0.0012026400000000 ] - [ -0.0002748900000000, -0.0005283100000000, -0.0000668700000000 ] - [ 0.0003433600000000, -0.0005204400000000, -0.0002191700000000 ] - [ 0.0003640700000000, -0.0005186400000000, -0.0002175100000000 ] - [ -0.0000048100000000, -0.0006112400000000, -0.0002378200000000 ] - [ 0.0000308100000000, -0.0005330800000000, -0.0003852200000000 ] - [ 0.0000392300000000, 0.0005822000000000, 0.0002200300000000 ] - [ 0.0000266400000000, 0.0006097600000000, 0.0002793200000000 ] - [ -0.0004540400000000, -0.0000471900000000, 0.0006804700000000 ] - [ -0.0000529100000000, 0.0001741400000000, -0.0001620000000000 ] - [ -0.0000158800000000, 0.0001774700000000, 0.0003654300000000 ] - [ 0.0002080200000000, 0.0000962100000000, 0.0002973600000000 ] - [ 0.0000544400000000, 0.0005286000000000, -0.0003592600000000 ] - [ -0.0000511400000000, 0.0005532100000000, -0.0002141400000000 ] - [ -0.0001879300000000, -0.0001887100000000, 0.0000864500000000 ] - [ -0.0002110600000000, -0.0001928900000000, 0.0001163300000000 ] - [ 0.0003915100000000, -0.0000780900000000, 0.0000011600000000 ] - [ 0.0003874500000000, -0.0000630300000000, -0.0000132700000000 ] - [ -0.0001785200000000, -0.0005955100000000, -0.0011203700000000 ] - [ -0.0003737700000000, -0.0000935600000000, 0.0002478700000000 ] - [ 0.0005779600000000, -0.0001178400000000, -0.0010195900000000 ] - [ 0.0000141900000000, 0.0000043300000000, 0.0006381600000000 ] - [ 0.0001871100000000, 0.0003532400000000, -0.0001371400000000 ] - [ 0.0001262300000000, 0.0001122800000000, -0.0001209700000000 ] - [ 0.0004944800000000, 0.0004434700000000, -0.0008421300000000 ] - [ -0.0009872800000000, 0.0001262500000000, -0.0004423900000000 ] - [ 0.0001867600000000, 0.0001448100000000, 0.0005278200000000 ] - [ 0.0002679900000000, 0.0001393700000000, 0.0004603200000000 ]- atom: 51 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0005892700000000, 0.0012887700000000, -0.0004898900000000 ] - [ -0.0001289700000000, 0.0004145200000000, -0.0007950400000000 ] - [ 0.0000939900000000, 0.0004485000000000, -0.0001498500000000 ] - [ 0.0001321300000000, 0.0003690500000000, -0.0000801800000000 ] - [ 0.0006494600000000, -0.0003737200000000, 0.0001243000000000 ] - [ -0.0000708800000000, 0.0008665100000000, 0.0003887700000000 ] - [ 0.0006065100000000, 0.0013928300000000, -0.0033830600000000 ] - [ -0.0002870100000000, 0.0003065000000000, 0.0006152900000000 ] - [ -0.0005389500000000, -0.0000299300000000, 0.0003445800000000 ] - [ -0.0005093700000000, -0.0000173900000000, 0.0003320700000000 ] - [ -0.0030341100000000, -0.0023395600000000, 0.0008012700000000 ] - [ 0.0007438600000000, -0.0000124300000000, -0.0004715800000000 ] - [ 0.0000684300000000, -0.0000801400000000, -0.0000082700000000 ] - [ -0.0000113900000000, 0.0007291100000000, 0.0001123000000000 ] - [ 0.0002192600000000, 0.0002867900000000, -0.0003399300000000 ] - [ 0.0002019600000000, 0.0002704600000000, -0.0003244100000000 ] - [ 0.0007346300000000, 0.0011614900000000, 0.0008551500000000 ] - [ -0.0000747600000000, 0.0001684600000000, 0.0008184300000000 ] - [ -0.0016942800000000, -0.0006410600000000, -0.0008610700000000 ] - [ -0.0002715900000000, 0.0006228100000000, -0.0008779700000000 ] - [ 0.0000198700000000, 0.0006210300000000, 0.0002681400000000 ] - [ 0.0002544400000000, 0.0003377800000000, 0.0002304600000000 ] - [ 0.0000871600000000, 0.0003629500000000, 0.0002413200000000 ] - [ 0.0002387200000000, 0.0005050800000000, 0.0002331200000000 ] - [ -0.0016922600000000, 0.0019349900000000, -0.0103607100000000 ] - [ -0.0004626700000000, 0.0001118900000000, -0.0001669300000000 ] - [ 0.0006104200000000, -0.0005032900000000, -0.0008314600000000 ] - [ 0.0004624000000000, -0.0003349300000000, 0.0001609900000000 ] - [ -0.0020905200000000, 0.0000888500000000, 0.0047008000000000 ] - [ 0.0002925900000000, -0.0006451600000000, 0.0001907400000000 ] - [ 0.0003455800000000, -0.0007255300000000, -0.0001072600000000 ] - [ 0.0004143900000000, -0.0007014200000000, -0.0001232100000000 ] - [ 0.0038964300000000, -0.0029833900000000, -0.0091694700000000 ] - [ 0.0006614900000000, -0.0007105600000000, 0.0003554600000000 ] - [ -0.0008648700000000, -0.0001098600000000, 0.0005768800000000 ] - [ -0.0008374500000000, -0.0000491400000000, 0.0005335900000000 ] - [ -0.0004777400000000, -0.0003648800000000, -0.0004314200000000 ] - [ -0.0005073800000000, -0.0003452400000000, -0.0001481400000000 ] - [ 0.0000040400000000, -0.0002252900000000, 0.0006869700000000 ] - [ 0.0004338700000000, -0.0003115600000000, -0.0000245500000000 ] - [ -0.0007659800000000, -0.0008314200000000, 0.0043157800000000 ] - [ 0.0010424300000000, -0.0000922800000000, -0.0004637900000000 ] - [ 0.0001263200000000, 0.0000103400000000, 0.0000561100000000 ] - [ 0.0001663500000000, 0.0000327200000000, 0.0000978700000000 ] - [ -0.0003944200000000, -0.0003752200000000, 0.0003087800000000 ] - [ -0.0001938800000000, -0.0004160600000000, 0.0000898000000000 ] - [ -0.0006735500000000, -0.0007401500000000, -0.0004066900000000 ] - [ -0.0007094100000000, -0.0006862300000000, -0.0003599400000000 ] - [ -0.0005204200000000, 0.0000546700000000, 0.0000408400000000 ] - [ -0.0005099000000000, -0.0000276900000000, -0.0000601200000000 ] - [ -0.0015599900000000, 0.0035653900000000, 0.0339075500000000 ] - [ -0.0001488200000000, -0.0000109400000000, 0.0001330500000000 ] - [ 0.0000899400000000, 0.0001654100000000, -0.0009062200000000 ] - [ -0.0010763700000000, -0.0010342100000000, -0.0003200900000000 ] - [ 0.0003470700000000, -0.0005392600000000, -0.0004612400000000 ] - [ -0.0001160800000000, -0.0006662200000000, 0.0003442300000000 ] - [ -0.0001870100000000, -0.0002215600000000, -0.0001560700000000 ] - [ -0.0002117100000000, -0.0001801600000000, -0.0001281000000000 ] - [ -0.0027139600000000, 0.0037252200000000, -0.0085086300000000 ] - [ 0.0002838200000000, -0.0001480600000000, -0.0008434700000000 ] - [ -0.0022637900000000, 0.0050187600000000, -0.0037819100000000 ] - [ -0.0000764700000000, -0.0003430700000000, -0.0000374000000000 ] - [ -0.0001138100000000, -0.0001020800000000, 0.0001843700000000 ] - [ -0.0001241600000000, 0.0001339900000000, 0.0001560700000000 ] - [ -0.0031091800000000, -0.0015676000000000, 0.0014252000000000 ] - [ -0.0002665800000000, -0.0007279600000000, -0.0004464700000000 ] - [ 0.0005400900000000, -0.0000195200000000, 0.0002723200000000 ] - [ 0.0006393900000000, 0.0000071600000000, 0.0000423900000000 ] - [ 0.0001740500000000, 0.0000027600000000, -0.0001155200000000 ] - [ 0.0001628800000000, -0.0000147900000000, -0.0001314100000000 ] - [ -0.0004053500000000, 0.0001865100000000, 0.0002415000000000 ] - [ -0.0003728200000000, 0.0001900500000000, 0.0002404500000000 ] - [ 0.0001576600000000, 0.0002690000000000, 0.0000384800000000 ] - [ 0.0000966000000000, 0.0002004700000000, 0.0001214600000000 ] - [ 0.0000842000000000, 0.0000296000000000, -0.0013749300000000 ] - [ -0.0004451500000000, 0.0000476800000000, -0.0004677800000000 ] - [ 0.0003184800000000, -0.0000118600000000, -0.0001497800000000 ] - [ 0.0003467100000000, -0.0001107800000000, -0.0002386100000000 ] - [ 0.0000573700000000, -0.0002890800000000, -0.0000094200000000 ] - [ 0.0000647400000000, -0.0003577300000000, -0.0000129800000000 ] - [ 0.0004801200000000, -0.0001441300000000, -0.0022075400000000 ] - [ -0.0005777300000000, -0.0000523000000000, -0.0001022000000000 ] - [ 0.0030835900000000, -0.0069537600000000, -0.0071188500000000 ] - [ -0.0007467700000000, -0.0002942500000000, 0.0002798900000000 ] - [ 0.0014467100000000, 0.0002315400000000, -0.0043022900000000 ] - [ -0.0001879900000000, 0.0000920200000000, -0.0000800700000000 ] - [ 0.0004352500000000, -0.0006156000000000, 0.0003870100000000 ] - [ 0.0004201700000000, -0.0006309400000000, 0.0003575300000000 ] - [ 0.0001763100000000, 0.0005860400000000, -0.0009737300000000 ] - [ -0.0010170500000000, 0.0010655500000000, -0.0002609200000000 ] - [ -0.0000209200000000, 0.0001582000000000, -0.0004112400000000 ] - [ -0.0002771900000000, 0.0002990600000000, -0.0002474000000000 ] - [ -0.0005137200000000, 0.0010368000000000, -0.0000757900000000 ] - [ -0.0007005900000000, 0.0001684800000000, 0.0000528400000000 ] - [ -0.0000991700000000, 0.0002263400000000, -0.0000502300000000 ] - [ -0.0001322100000000, 0.0001838000000000, 0.0000024600000000 ] - [ 0.0007086500000000, 0.0002319900000000, -0.0000389600000000 ] - [ 0.0006444800000000, 0.0001796300000000, -0.0000320600000000 ] - [ -0.0002870300000000, -0.0000872900000000, 0.0006463700000000 ] - [ -0.0003228900000000, -0.0001260800000000, 0.0006353500000000 ] - [ 0.0000475300000000, 0.0000956400000000, 0.0000453800000000 ] - [ 0.0000218400000000, 0.0000778400000000, 0.0000502500000000 ] - [ 0.0001244900000000, 0.0005619900000000, 0.0001420300000000 ] - [ 0.0000915200000000, 0.0005509200000000, 0.0001528400000000 ] - [ 0.0037127600000000, -0.0012673900000000, 0.0042856100000000 ] - [ 0.0004956300000000, 0.0002219800000000, -0.0000980900000000 ] - [ -0.0001048400000000, 0.0000289000000000, -0.0005935300000000 ] - [ -0.0001121000000000, 0.0000390500000000, -0.0006793400000000 ] - [ 0.0009540200000000, -0.0004416900000000, -0.0026040500000000 ] - [ 0.0001119500000000, -0.0002146600000000, 0.0000793200000000 ] - [ -0.0000338100000000, 0.0002960200000000, 0.0009598400000000 ] - [ 0.0000387100000000, 0.0005828700000000, 0.0002264500000000 ] - [ 0.0007029800000000, -0.0002922400000000, -0.0002756000000000 ] - [ 0.0006926700000000, -0.0002999000000000, -0.0002757000000000 ] - [ -0.0000601500000000, -0.0000979600000000, 0.0023659400000000 ] - [ 0.0002865300000000, -0.0002370800000000, -0.0000863800000000 ] - [ 0.0050074400000000, -0.0028935200000000, -0.0007849600000000 ] - [ -0.0004315800000000, -0.0005118000000000, 0.0005035000000000 ] - [ 0.0003636400000000, -0.0005167800000000, -0.0002184500000000 ] - [ 0.0003439900000000, -0.0005185500000000, -0.0002203500000000 ] - [ 0.0000350000000000, -0.0006113000000000, -0.0005126800000000 ] - [ 0.0000006200000000, -0.0006875200000000, -0.0003651700000000 ] - [ 0.0000014700000000, 0.0006418700000000, 0.0003386900000000 ] - [ 0.0000153300000000, 0.0006144400000000, 0.0002796600000000 ] - [ 0.0001865400000000, 0.0004627400000000, -0.0009547000000000 ] - [ -0.0002081500000000, 0.0002465300000000, -0.0001077100000000 ] - [ 0.0001774000000000, 0.0001345500000000, 0.0001578500000000 ] - [ -0.0000465000000000, 0.0002116100000000, 0.0002263900000000 ] - [ -0.0000901900000000, 0.0005668500000000, -0.0000612200000000 ] - [ 0.0000146900000000, 0.0005462500000000, -0.0002063600000000 ] - [ -0.0002075800000000, -0.0002108800000000, 0.0001424200000000 ] - [ -0.0001851300000000, -0.0002084900000000, 0.0001122200000000 ] - [ 0.0003805300000000, -0.0000619600000000, -0.0000232700000000 ] - [ 0.0003845900000000, -0.0000768900000000, -0.0000089000000000 ] - [ -0.0005100200000000, 0.0004141400000000, 0.0015922900000000 ] - [ -0.0003223500000000, -0.0001181200000000, 0.0002266700000000 ] - [ -0.0003698200000000, 0.0001499800000000, 0.0023745100000000 ] - [ 0.0001898100000000, 0.0000620400000000, 0.0007135900000000 ] - [ 0.0000162600000000, -0.0000565600000000, -0.0001980900000000 ] - [ 0.0000802500000000, 0.0001820000000000, -0.0002166100000000 ] - [ -0.0005304800000000, 0.0007728700000000, 0.0002867600000000 ] - [ 0.0009562800000000, 0.0011025100000000, -0.0001100000000000 ] - [ 0.0002891400000000, 0.0001443600000000, 0.0003743700000000 ] - [ 0.0002096200000000, 0.0001505400000000, 0.0004425100000000 ]- atom: 53 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ 0.0080562800000000, 0.0004212500000000, -0.0005054500000000 ] - [ -0.0018555200000000, 0.0006463900000000, -0.0007714000000000 ] - [ -0.0008382500000000, -0.0003460000000000, -0.0002532600000000 ] - [ 0.0012228900000000, 0.0017840000000000, -0.0001787600000000 ] - [ 0.0069527700000000, 0.0014280600000000, 0.0020287000000000 ] - [ -0.0015746000000000, 0.0011271500000000, -0.0004160300000000 ] - [ -0.0021683900000000, 0.0008714900000000, 0.0003370000000000 ] - [ 0.0128613400000000, 0.0051624100000000, 0.0033221100000000 ] - [ -0.0001438700000000, -0.0002796900000000, 0.0004529000000000 ] - [ -0.0008736000000000, -0.0000702500000000, 0.0002555700000000 ] - [ -0.0014091200000000, 0.0007153900000000, -0.0014808900000000 ] - [ 0.0007349500000000, -0.0011243700000000, 0.0011722300000000 ] - [ -0.0002931800000000, 0.0008768100000000, 0.0000144500000000 ] - [ 0.0002734300000000, 0.0000001700000000, 0.0001371800000000 ] - [ 0.0006798800000000, 0.0000207600000000, -0.0002179800000000 ] - [ -0.0001945700000000, 0.0002261300000000, -0.0004484500000000 ] - [ 0.0016792900000000, 0.0003906300000000, 0.0004992400000000 ] - [ -0.0010951100000000, 0.0003620700000000, -0.0001495500000000 ] - [ 0.0014748600000000, 0.0013815400000000, 0.0003565000000000 ] - [ -0.0013182300000000, 0.0003720200000000, -0.0005582200000000 ] - [ -0.0000936900000000, 0.0003599400000000, 0.0001666400000000 ] - [ 0.0005269300000000, -0.0000630000000000, 0.0003525300000000 ] - [ -0.0005453400000000, -0.0001317100000000, -0.0001044900000000 ] - [ 0.0008778900000000, 0.0011348100000000, 0.0007256500000000 ] - [ 0.0012224800000000, 0.0005763100000000, 0.0009796000000000 ] - [ -0.0018714300000000, 0.0002161300000000, -0.0006718500000000 ] - [ -0.0003986800000000, -0.0009256900000000, 0.0000459000000000 ] - [ -0.0001425800000000, 0.0015006600000000, -0.0008100900000000 ] - [ 0.0282320000000000, -0.0121036300000000, 0.0025960800000000 ] - [ -0.0024349900000000, -0.0006708100000000, -0.0002642200000000 ] - [ 0.0002927100000000, -0.0009251400000000, -0.0001516600000000 ] - [ 0.0004224600000000, -0.0007185300000000, -0.0001161700000000 ] - [ 0.0003287200000000, 0.0001359100000000, 0.0002336000000000 ] - [ 0.0006909700000000, -0.0021177200000000, -0.0003848300000000 ] - [ -0.0002656100000000, -0.0011428200000000, 0.0006159900000000 ] - [ -0.0014599800000000, 0.0002235900000000, 0.0003964600000000 ] - [ -0.0002026800000000, -0.0002380300000000, -0.0000560500000000 ] - [ -0.0008298800000000, -0.0006723200000000, -0.0003055000000000 ] - [ -0.0035083100000000, -0.0026297700000000, -0.0016329800000000 ] - [ -0.0018622900000000, 0.0028379000000000, 0.0004155800000000 ] - [ 0.0002993700000000, 0.0011766700000000, -0.0007335100000000 ] - [ 0.0002982200000000, -0.0016359600000000, 0.0000089100000000 ] - [ 0.0000722800000000, -0.0001815000000000, 0.0000773700000000 ] - [ 0.0001832500000000, 0.0000284800000000, 0.0000966000000000 ] - [ 0.0000357200000000, -0.0002017200000000, 0.0001232200000000 ] - [ -0.0006567900000000, -0.0006619200000000, 0.0000155600000000 ] - [ -0.0004319900000000, -0.0014641400000000, -0.0002036200000000 ] - [ -0.0012217500000000, -0.0004265000000000, -0.0005334100000000 ] - [ 0.0000618500000000, 0.0001649300000000, 0.0000537700000000 ] - [ -0.0018792900000000, -0.0003470500000000, -0.0000761300000000 ] - [ 0.0004981400000000, -0.0007010000000000, 0.0003280100000000 ] - [ 0.0009312100000000, 0.0003976500000000, 0.0016537900000000 ] - [ -0.0878353600000000, -0.0002175500000000, -0.0071504400000000 ] - [ 0.0010886600000000, 0.0002317200000000, 0.0001850300000000 ] - [ 0.0002472000000000, -0.0008098600000000, 0.0004545400000000 ] - [ -0.0003181800000000, -0.0000688100000000, 0.0001523800000000 ] - [ -0.0003280900000000, -0.0001529100000000, -0.0001457400000000 ] - [ -0.0000550400000000, -0.0001325100000000, -0.0001066700000000 ] - [ 0.0016120400000000, -0.0022614300000000, 0.0051120600000000 ] - [ 0.0011325800000000, -0.0002432200000000, -0.0005076200000000 ] - [ 0.0002284800000000, -0.0007821200000000, -0.0000293000000000 ] - [ 0.0002383200000000, 0.0022236100000000, 0.0000859300000000 ] - [ 0.0010962500000000, 0.0010112300000000, -0.0003729300000000 ] - [ 0.0004426800000000, -0.0012936900000000, 0.0006896600000000 ] - [ -0.0013233700000000, -0.0014944600000000, -0.0009733800000000 ] - [ 0.0001740900000000, -0.0004300400000000, -0.0001320900000000 ] - [ 0.0002120900000000, -0.0000343900000000, -0.0000658900000000 ] - [ 0.0008564000000000, 0.0001159800000000, 0.0001919400000000 ] - [ 0.0000885100000000, 0.0001770000000000, -0.0001671300000000 ] - [ 0.0002953600000000, -0.0000537200000000, -0.0000773400000000 ] - [ -0.0007742600000000, 0.0003090900000000, 0.0001137700000000 ] - [ -0.0000703400000000, 0.0002519500000000, 0.0003391100000000 ] - [ 0.0003534300000000, 0.0013677500000000, 0.0004125700000000 ] - [ 0.0004238900000000, -0.0003736500000000, 0.0000829600000000 ] - [ 0.0232534200000000, 0.0111843700000000, 0.0021238200000000 ] - [ 0.0010973700000000, -0.0001961900000000, -0.0001302300000000 ] - [ 0.0003961900000000, 0.0003687000000000, -0.0002648300000000 ] - [ 0.0005129000000000, -0.0005786800000000, -0.0001179200000000 ] - [ -0.0002280200000000, 0.0000346600000000, -0.0000600600000000 ] - [ 0.0003291000000000, -0.0004472200000000, 0.0000625600000000 ] - [ 0.0003694900000000, -0.0005054900000000, 0.0001885700000000 ] - [ -0.0009401000000000, 0.0015561100000000, -0.0011788100000000 ] - [ -0.0005555200000000, -0.0008323400000000, 0.0004583200000000 ] - [ -0.0004856900000000, 0.0002428000000000, 0.0002698100000000 ] - [ 0.0015315400000000, -0.0016929300000000, 0.0001886900000000 ] - [ 0.0014798200000000, 0.0007383300000000, -0.0004136600000000 ] - [ 0.0005190200000000, -0.0004134500000000, 0.0003814200000000 ] - [ 0.0003393900000000, -0.0008059000000000, 0.0003643800000000 ] - [ -0.0035534800000000, -0.0023498900000000, -0.0005289700000000 ] - [ 0.0006723800000000, 0.0006041100000000, -0.0000033900000000 ] - [ -0.0005411200000000, 0.0001028300000000, -0.0003365900000000 ] - [ 0.0002568500000000, 0.0002192700000000, -0.0001934700000000 ] - [ -0.0000396900000000, 0.0005864000000000, 0.0011602200000000 ] - [ -0.0001117000000000, -0.0007094100000000, -0.0002653500000000 ] - [ 0.0000240700000000, 0.0002123100000000, 0.0000528400000000 ] - [ -0.0002922200000000, 0.0003232300000000, -0.0000628800000000 ] - [ 0.0005507800000000, 0.0001272700000000, -0.0000968800000000 ] - [ 0.0008139800000000, 0.0003348200000000, -0.0000153300000000 ] - [ -0.0002944100000000, -0.0000336100000000, 0.0006370700000000 ] - [ -0.0002903600000000, -0.0000940700000000, 0.0006465800000000 ] - [ -0.0000543500000000, 0.0003343800000000, 0.0000476600000000 ] - [ 0.0001624600000000, 0.0000077200000000, 0.0000712900000000 ] - [ 0.0002933300000000, 0.0007859000000000, 0.0002137700000000 ] - [ -0.0000547900000000, 0.0003544500000000, 0.0000890800000000 ] - [ 0.0010580800000000, -0.0001698500000000, -0.0000136100000000 ] - [ -0.0011188600000000, 0.0012410300000000, 0.0002616900000000 ] - [ -0.0001008400000000, 0.0000336900000000, -0.0006850400000000 ] - [ -0.0000834700000000, 0.0001687400000000, -0.0006528800000000 ] - [ 0.0017184700000000, -0.0007376100000000, 0.0005065100000000 ] - [ 0.0099613900000000, -0.0005277000000000, -0.0046036200000000 ] - [ 0.0002279300000000, 0.0003635700000000, 0.0002563800000000 ] - [ -0.0002846800000000, 0.0010341600000000, 0.0002701800000000 ] - [ 0.0005523400000000, 0.0001248700000000, -0.0003731100000000 ] - [ 0.0009233200000000, -0.0004751900000000, -0.0002068300000000 ] - [ 0.0009338300000000, -0.0002195500000000, 0.0001421600000000 ] - [ 0.0003791900000000, -0.0012280400000000, 0.0049560000000000 ] - [ 0.0030439800000000, -0.0042696400000000, -0.0069334000000000 ] - [ 0.0004167000000000, -0.0006368700000000, 0.0004639500000000 ] - [ 0.0004098800000000, -0.0004029600000000, -0.0001982900000000 ] - [ 0.0003197200000000, -0.0005028600000000, -0.0002295400000000 ] - [ -0.0017873500000000, 0.0005119500000000, -0.0004541700000000 ] - [ 0.0005444500000000, -0.0007546300000000, -0.0002457900000000 ] - [ 0.0001779000000000, 0.0006384900000000, 0.0003149200000000 ] - [ -0.0001794900000000, 0.0007333900000000, 0.0002501200000000 ] - [ -0.0003820100000000, -0.0002303000000000, -0.0002254000000000 ] - [ 0.0003471900000000, 0.0006351500000000, -0.0000455400000000 ] - [ 0.0009275100000000, 0.0004126300000000, 0.0005106800000000 ] - [ -0.0006918600000000, -0.0012609600000000, -0.0006600400000000 ] - [ -0.0003921200000000, 0.0018481200000000, -0.0007183200000000 ] - [ 0.0004210300000000, 0.0004334100000000, -0.0000863900000000 ] - [ -0.0003755400000000, -0.0001249400000000, 0.0000569000000000 ] - [ -0.0000326300000000, -0.0001343600000000, 0.0001729800000000 ] - [ -0.0000379100000000, 0.0000370000000000, -0.0000958400000000 ] - [ 0.0007206300000000, 0.0000172700000000, 0.0000506100000000 ] - [ -0.0005404200000000, -0.0004091100000000, 0.0001925300000000 ] - [ 0.0000656100000000, 0.0003048800000000, 0.0004050900000000 ] - [ 0.0000338600000000, 0.0004789200000000, 0.0003010100000000 ] - [ 0.0009897400000000, -0.0001819200000000, 0.0009970100000000 ] - [ -0.0000805200000000, 0.0001508800000000, -0.0002084100000000 ] - [ 0.0002892900000000, 0.0002372100000000, -0.0001232900000000 ] - [ -0.0021055200000000, 0.0002484900000000, -0.0020914400000000 ] - [ 0.0009425800000000, 0.0006317500000000, 0.0000243900000000 ] - [ 0.0002376500000000, 0.0001320400000000, 0.0004624100000000 ] - [ 0.0002647800000000, 0.0002903600000000, 0.0004396900000000 ]- atom: 53 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ -0.0084422600000000, 0.0002766600000000, -0.0001223800000000 ] - [ 0.0014529500000000, -0.0000120300000000, 0.0002613500000000 ] - [ 0.0010524700000000, 0.0010915300000000, -0.0000084000000000 ] - [ -0.0010261700000000, -0.0010318800000000, -0.0000879200000000 ] - [ -0.0069267600000000, 0.0000312600000000, -0.0021578900000000 ] - [ 0.0016406400000000, 0.0003230000000000, 0.0002723400000000 ] - [ 0.0017630100000000, -0.0002796000000000, 0.0003604300000000 ] - [ -0.0137625900000000, -0.0050566900000000, -0.0028576900000000 ] - [ -0.0009034400000000, 0.0002895000000000, 0.0002493400000000 ] - [ -0.0001731300000000, 0.0000761700000000, 0.0004471300000000 ] - [ 0.0024664700000000, -0.0007097100000000, 0.0007766700000000 ] - [ 0.0003021500000000, 0.0011286100000000, -0.0018920100000000 ] - [ 0.0002338200000000, 0.0005797200000000, 0.0001293200000000 ] - [ -0.0003388300000000, 0.0014622100000000, 0.0000050400000000 ] - [ -0.0002718900000000, 0.0005756400000000, -0.0004758200000000 ] - [ 0.0006051800000000, 0.0003645200000000, -0.0002448400000000 ] - [ -0.0018999300000000, 0.0003512400000000, -0.0002318100000000 ] - [ 0.0008887700000000, 0.0003896600000000, 0.0004143700000000 ] - [ -0.0018550800000000, -0.0003620500000000, -0.0008803600000000 ] - [ 0.0009480100000000, 0.0006549900000000, 0.0000438200000000 ] - [ 0.0005045900000000, 0.0002808300000000, 0.0003468300000000 ] - [ -0.0001213700000000, 0.0007059500000000, 0.0001596400000000 ] - [ 0.0009275600000000, 0.0011542200000000, 0.0006204100000000 ] - [ -0.0005100300000000, -0.0001090500000000, -0.0002125900000000 ] - [ -0.0015200400000000, -0.0005115700000000, -0.0011540800000000 ] - [ 0.0015768200000000, -0.0001449400000000, 0.0004909700000000 ] - [ 0.0013864000000000, 0.0002150700000000, 0.0003041800000000 ] - [ 0.0011109700000000, -0.0022190200000000, 0.0011552300000000 ] - [ -0.0274125400000000, 0.0094799500000000, -0.0021264700000000 ] - [ 0.0016759800000000, -0.0007241200000000, 0.0005232500000000 ] - [ 0.0004845500000000, -0.0004664600000000, -0.0001077900000000 ] - [ 0.0003503100000000, -0.0006713900000000, -0.0001451600000000 ] - [ 0.0010806600000000, -0.0015065200000000, 0.0004859300000000 ] - [ 0.0007127200000000, 0.0007581800000000, 0.0011122700000000 ] - [ -0.0014460400000000, 0.0009956900000000, 0.0004386300000000 ] - [ -0.0002644500000000, -0.0003820600000000, 0.0006556800000000 ] - [ -0.0007739200000000, -0.0004722900000000, -0.0002862000000000 ] - [ -0.0001455400000000, -0.0000346700000000, -0.0000361800000000 ] - [ 0.0040949100000000, 0.0019362800000000, 0.0014853000000000 ] - [ 0.0024592400000000, -0.0035485700000000, -0.0005590000000000 ] - [ 0.0014313700000000, -0.0013388000000000, -0.0003254500000000 ] - [ 0.0014308600000000, 0.0014820600000000, -0.0010764400000000 ] - [ 0.0002312000000000, 0.0002615600000000, 0.0001135500000000 ] - [ 0.0001163300000000, 0.0000536200000000, 0.0000933000000000 ] - [ -0.0006304600000000, -0.0004869700000000, 0.0000259000000000 ] - [ 0.0000633100000000, -0.0000232700000000, 0.0001339000000000 ] - [ -0.0009682100000000, 0.0001036600000000, -0.0005195700000000 ] - [ -0.0001851100000000, -0.0009452200000000, -0.0001932200000000 ] - [ -0.0011825500000000, -0.0000973300000000, -0.0002179800000000 ] - [ 0.0007709000000000, 0.0004113400000000, -0.0000824600000000 ] - [ -0.0008363300000000, 0.0006708600000000, -0.0000736200000000 ] - [ -0.0012737400000000, -0.0004294100000000, -0.0014123300000000 ] - [ 0.0865203200000000, 0.0019858300000000, 0.0071586700000000 ] - [ -0.0008582700000000, 0.0001435200000000, -0.0002069500000000 ] - [ -0.0002782400000000, -0.0004133500000000, 0.0002950400000000 ] - [ 0.0002916400000000, -0.0011566600000000, 0.0005999900000000 ] - [ -0.0000622100000000, -0.0002832600000000, -0.0001012000000000 ] - [ -0.0003359300000000, -0.0003030900000000, -0.0001405700000000 ] - [ -0.0010026700000000, 0.0019980900000000, -0.0063683900000000 ] - [ -0.0005089900000000, -0.0000110200000000, -0.0007700100000000 ] - [ -0.0003573900000000, 0.0000837800000000, 0.0000306100000000 ] - [ -0.0003692900000000, -0.0029516600000000, -0.0000831400000000 ] - [ -0.0012983400000000, -0.0007099700000000, 0.0007030400000000 ] - [ -0.0006465000000000, 0.0015999600000000, -0.0003549800000000 ] - [ 0.0004705400000000, 0.0002282800000000, 0.0002499100000000 ] - [ -0.0010314200000000, -0.0008408800000000, -0.0005905600000000 ] - [ 0.0009095300000000, 0.0001012800000000, 0.0002292900000000 ] - [ 0.0002617900000000, -0.0000515100000000, -0.0000294000000000 ] - [ 0.0002468800000000, -0.0002114400000000, -0.0000903200000000 ] - [ 0.0000420000000000, 0.0000211600000000, -0.0001792700000000 ] - [ -0.0000081500000000, 0.0000372700000000, 0.0003568300000000 ] - [ -0.0007143300000000, 0.0000984300000000, 0.0001312700000000 ] - [ -0.0000934700000000, -0.0009397000000000, -0.0001435400000000 ] - [ -0.0001559900000000, 0.0007978700000000, 0.0001865300000000 ] - [ -0.0231751400000000, -0.0106279400000000, -0.0029672400000000 ] - [ -0.0015802500000000, 0.0004930000000000, -0.0007745400000000 ] - [ 0.0002943300000000, -0.0005804600000000, -0.0002115700000000 ] - [ 0.0001864900000000, 0.0003695100000000, -0.0003557600000000 ] - [ 0.0003553900000000, -0.0007407400000000, 0.0000570800000000 ] - [ -0.0002000900000000, -0.0002490400000000, -0.0000642500000000 ] - [ -0.0011415400000000, 0.0003638300000000, -0.0001658500000000 ] - [ 0.0001781500000000, -0.0017033300000000, 0.0012114500000000 ] - [ -0.0008469200000000, 0.0002376200000000, 0.0001050300000000 ] - [ -0.0009140200000000, -0.0008401100000000, 0.0002939000000000 ] - [ -0.0015983400000000, 0.0018413500000000, -0.0002950300000000 ] - [ -0.0015552100000000, -0.0005881500000000, 0.0003108000000000 ] - [ 0.0003359600000000, -0.0008551600000000, 0.0003393200000000 ] - [ 0.0005190300000000, -0.0004651100000000, 0.0003580200000000 ] - [ 0.0033333900000000, 0.0035089500000000, 0.0002199800000000 ] - [ -0.0008871700000000, 0.0004846200000000, -0.0003119600000000 ] - [ 0.0003828900000000, 0.0002073100000000, -0.0001851300000000 ] - [ -0.0004197200000000, 0.0000881200000000, -0.0003295700000000 ] - [ -0.0012944900000000, -0.0002355700000000, -0.0010395300000000 ] - [ -0.0012177000000000, 0.0010663700000000, 0.0003858900000000 ] - [ -0.0002564400000000, 0.0001621100000000, -0.0000321900000000 ] - [ 0.0000624900000000, 0.0000493900000000, 0.0000845500000000 ] - [ 0.0007792600000000, 0.0002215400000000, -0.0000165100000000 ] - [ 0.0005156000000000, 0.0000129200000000, -0.0000983400000000 ] - [ -0.0003319800000000, -0.0002229800000000, 0.0006409400000000 ] - [ -0.0003339800000000, -0.0001629000000000, 0.0006319700000000 ] - [ 0.0001209300000000, -0.0001836000000000, 0.0000596700000000 ] - [ -0.0000931800000000, 0.0001445500000000, 0.0000365000000000 ] - [ -0.0000818400000000, 0.0003045600000000, 0.0001009400000000 ] - [ 0.0002697800000000, 0.0007335400000000, 0.0002261100000000 ] - [ -0.0002740400000000, 0.0005195600000000, -0.0004581500000000 ] - [ 0.0019184200000000, -0.0008951400000000, -0.0007363500000000 ] - [ -0.0001004500000000, 0.0000318900000000, -0.0006657400000000 ] - [ -0.0001163300000000, -0.0001041300000000, -0.0006976400000000 ] - [ -0.0013216900000000, 0.0002993600000000, -0.0002562200000000 ] - [ -0.0097855700000000, 0.0000950300000000, 0.0049590900000000 ] - [ -0.0001921600000000, 0.0007333500000000, 0.0001644400000000 ] - [ 0.0003245800000000, 0.0000603100000000, 0.0001503000000000 ] - [ 0.0008461900000000, -0.0007224700000000, -0.0001906900000000 ] - [ 0.0004787100000000, -0.0001186200000000, -0.0003563200000000 ] - [ -0.0005411400000000, -0.0001804700000000, -0.0003724300000000 ] - [ 0.0000386200000000, 0.0008357500000000, -0.0052162100000000 ] - [ -0.0037314800000000, 0.0031958400000000, 0.0073075300000000 ] - [ -0.0011262700000000, -0.0003997500000000, -0.0000274900000000 ] - [ 0.0002968200000000, -0.0006353500000000, -0.0002397100000000 ] - [ 0.0003891100000000, -0.0005366100000000, -0.0002080700000000 ] - [ 0.0018064600000000, -0.0017672600000000, -0.0002924800000000 ] - [ -0.0005132400000000, -0.0004654200000000, -0.0005044300000000 ] - [ -0.0001373400000000, 0.0005847600000000, 0.0002435900000000 ] - [ 0.0002230200000000, 0.0004884500000000, 0.0003089400000000 ] - [ 0.0001181300000000, 0.0006531300000000, -0.0000432700000000 ] - [ -0.0006113300000000, -0.0002167300000000, -0.0002227600000000 ] - [ -0.0007663900000000, -0.0001013000000000, 0.0000128600000000 ] - [ 0.0008696500000000, 0.0015724300000000, 0.0011880300000000 ] - [ 0.0003625700000000, -0.0007649100000000, 0.0002919700000000 ] - [ -0.0004569200000000, 0.0006667500000000, -0.0003340400000000 ] - [ -0.0000182100000000, -0.0002774300000000, 0.0001719300000000 ] - [ -0.0003629200000000, -0.0002673900000000, 0.0000553100000000 ] - [ 0.0008120500000000, -0.0001832100000000, 0.0000748700000000 ] - [ 0.0000518100000000, -0.0001581500000000, -0.0000724500000000 ] - [ -0.0001563500000000, 0.0001982900000000, 0.0002810500000000 ] - [ -0.0007632900000000, -0.0005190400000000, 0.0000672100000000 ] - [ 0.0001579500000000, -0.0004080200000000, 0.0010431500000000 ] - [ -0.0007874800000000, 0.0002514800000000, 0.0003537300000000 ] - [ 0.0002876500000000, 0.0001453200000000, -0.0001294600000000 ] - [ -0.0000827000000000, 0.0000576900000000, -0.0002144600000000 ] - [ 0.0020779200000000, 0.0009854200000000, 0.0015281800000000 ] - [ -0.0009854000000000, 0.0005929200000000, -0.0005829900000000 ] - [ 0.0002388400000000, 0.0001578400000000, 0.0004405200000000 ] - [ 0.0002132500000000, -0.0000016700000000, 0.0004639900000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007449600000000, 0.0082779500000000, -0.0010706500000000 ] - [ -0.0003544500000000, 0.0012121500000000, -0.0003054500000000 ] - [ -0.0005540200000000, 0.0000598200000000, -0.0002558900000000 ] - [ 0.0019925700000000, -0.0020384500000000, 0.0005886400000000 ] - [ 0.0021555200000000, 0.0106957900000000, 0.0032088800000000 ] - [ -0.0000528500000000, 0.0015376100000000, -0.0000834700000000 ] - [ 0.0002067700000000, 0.0014546300000000, 0.0004073600000000 ] - [ 0.0058442700000000, 0.0121178400000000, 0.0028927800000000 ] - [ -0.0005581500000000, -0.0017519000000000, 0.0004016000000000 ] - [ -0.0005003800000000, -0.0007454200000000, 0.0003499400000000 ] - [ 0.0011096200000000, 0.0014692500000000, -0.0001710900000000 ] - [ 0.0002563000000000, 0.0026313300000000, -0.0002527400000000 ] - [ 0.0000992200000000, -0.0000943400000000, 0.0000892200000000 ] - [ -0.0003717300000000, -0.0009514100000000, -0.0000178300000000 ] - [ 0.0003532500000000, -0.0015919400000000, -0.0003635200000000 ] - [ 0.0002093200000000, -0.0003798500000000, -0.0003322300000000 ] - [ -0.0002775200000000, -0.0025470400000000, 0.0022109800000000 ] - [ -0.0002784800000000, 0.0001961900000000, 0.0000834300000000 ] - [ 0.0009625000000000, -0.0017601100000000, -0.0021445500000000 ] - [ -0.0005598500000000, 0.0003875500000000, -0.0003618400000000 ] - [ 0.0002521800000000, -0.0004727700000000, 0.0002767300000000 ] - [ -0.0000024000000000, -0.0011991600000000, 0.0001963500000000 ] - [ -0.0005634400000000, 0.0000909500000000, -0.0000066900000000 ] - [ 0.0013639100000000, -0.0006489500000000, 0.0003993600000000 ] - [ 0.0001028000000000, 0.0028630300000000, -0.0001872500000000 ] - [ -0.0008353800000000, 0.0010653600000000, -0.0004133500000000 ] - [ -0.0005968800000000, 0.0004490900000000, -0.0001559000000000 ] - [ 0.0016351700000000, 0.0010577100000000, 0.0010697600000000 ] - [ -0.0095545000000000, 0.0176074400000000, -0.0006942500000000 ] - [ -0.0010498800000000, 0.0003513100000000, 0.0000945900000000 ] - [ 0.0001379700000000, -0.0016011900000000, -0.0001885500000000 ] - [ 0.0006156500000000, -0.0017568600000000, -0.0000680400000000 ] - [ 0.0012556900000000, -0.0007706500000000, 0.0005659000000000 ] - [ -0.0000671000000000, -0.0015966600000000, -0.0005173600000000 ] - [ -0.0023796100000000, -0.0025406000000000, 0.0001763100000000 ] - [ -0.0004909700000000, -0.0003309700000000, 0.0006052900000000 ] - [ -0.0002409000000000, -0.0015485200000000, -0.0000072400000000 ] - [ -0.0006776300000000, -0.0010219900000000, -0.0002282500000000 ] - [ -0.0015766500000000, 0.0000581800000000, -0.0006852600000000 ] - [ 0.0022783500000000, 0.0013040800000000, -0.0002207500000000 ] - [ 0.0019146600000000, -0.0004608400000000, -0.0002341200000000 ] - [ -0.0003578800000000, -0.0009629600000000, -0.0002275400000000 ] - [ -0.0000924400000000, -0.0008264200000000, 0.0000327000000000 ] - [ 0.0003441200000000, -0.0010354800000000, 0.0001508700000000 ] - [ 0.0000266900000000, -0.0018426200000000, 0.0001024300000000 ] - [ -0.0004760000000000, -0.0010246600000000, 0.0000319600000000 ] - [ -0.0014971300000000, -0.0023693300000000, -0.0007587200000000 ] - [ -0.0003885300000000, -0.0009161700000000, -0.0002570200000000 ] - [ -0.0001996300000000, -0.0001512500000000, 0.0000219700000000 ] - [ -0.0017135100000000, 0.0003078100000000, -0.0010058200000000 ] - [ -0.0007098500000000, -0.0003551100000000, 0.0000064500000000 ] - [ 0.0008222900000000, -0.0003898000000000, 0.0016566000000000 ] - [ -0.0013002700000000, -0.0557010700000000, -0.0069153000000000 ] - [ 0.0001589600000000, -0.0002768900000000, -0.0000422200000000 ] - [ -0.0001747500000000, -0.0003173300000000, 0.0003154500000000 ] - [ 0.0003083100000000, 0.0002025200000000, 0.0002890400000000 ] - [ -0.0001432600000000, 0.0006764800000000, -0.0001535900000000 ] - [ -0.0001390800000000, 0.0001691200000000, -0.0001280000000000 ] - [ -0.0020573700000000, -0.0022139100000000, -0.0045190300000000 ] - [ 0.0005388600000000, -0.0006606900000000, -0.0005664200000000 ] - [ -0.0003934600000000, -0.0003177600000000, 0.0000259400000000 ] - [ 0.0006244700000000, 0.0012571900000000, 0.0001867200000000 ] - [ 0.0005492200000000, 0.0000780100000000, 0.0001133100000000 ] - [ -0.0012111500000000, -0.0002340600000000, -0.0002281000000000 ] - [ -0.0006554700000000, -0.0008970000000000, -0.0005473500000000 ] - [ -0.0002255400000000, -0.0007173200000000, -0.0002824400000000 ] - [ 0.0006413900000000, 0.0010025900000000, 0.0000489000000000 ] - [ 0.0006498300000000, 0.0002715700000000, 0.0001152800000000 ] - [ 0.0003992900000000, 0.0006570100000000, -0.0000264600000000 ] - [ 0.0000763000000000, 0.0003016400000000, -0.0001567500000000 ] - [ -0.0004533200000000, 0.0010515000000000, 0.0002774400000000 ] - [ -0.0002849500000000, 0.0004117800000000, 0.0002727700000000 ] - [ 0.0010539200000000, 0.0005036600000000, 0.0004412800000000 ] - [ -0.0005306300000000, 0.0002806700000000, 0.0000274300000000 ] - [ 0.0098053200000000, -0.0017090700000000, 0.0004106100000000 ] - [ -0.0003963100000000, -0.0005144500000000, -0.0004721000000000 ] - [ 0.0011224300000000, 0.0000575200000000, 0.0000383200000000 ] - [ -0.0001531100000000, -0.0001091100000000, -0.0004187000000000 ] - [ 0.0002648400000000, 0.0010741400000000, 0.0003426000000000 ] - [ -0.0000497100000000, -0.0002310400000000, -0.0000245200000000 ] - [ -0.0006240100000000, -0.0002530100000000, -0.0000748800000000 ] - [ 0.0008761200000000, 0.0004289700000000, -0.0011556500000000 ] - [ -0.0011013500000000, -0.0002716200000000, -0.0000097600000000 ] - [ -0.0003191900000000, -0.0001744100000000, 0.0003526000000000 ] - [ -0.0017452800000000, -0.0000432400000000, -0.0002941300000000 ] - [ 0.0013155400000000, -0.0002792300000000, -0.0005673800000000 ] - [ 0.0005692900000000, -0.0003109900000000, 0.0004044100000000 ] - [ 0.0001358200000000, 0.0001415700000000, 0.0001199100000000 ] - [ -0.0028095700000000, 0.0148217000000000, 0.0001085800000000 ] - [ 0.0000653300000000, 0.0003952400000000, -0.0001269000000000 ] - [ -0.0000217800000000, 0.0013514100000000, -0.0001948900000000 ] - [ -0.0000046100000000, 0.0003808600000000, -0.0002433800000000 ] - [ -0.0000031000000000, -0.0005272400000000, 0.0004671600000000 ] - [ -0.0009965300000000, -0.0006634000000000, -0.0000153000000000 ] - [ -0.0001410600000000, 0.0005759600000000, -0.0000176800000000 ] - [ -0.0002532700000000, 0.0009447700000000, -0.0000836800000000 ] - [ 0.0005803300000000, 0.0008874500000000, -0.0000234000000000 ] - [ 0.0007607200000000, 0.0005496600000000, -0.0000333200000000 ] - [ -0.0001873200000000, 0.0003272300000000, 0.0006663900000000 ] - [ -0.0003496300000000, 0.0003541400000000, 0.0006278900000000 ] - [ 0.0003525800000000, 0.0008103200000000, 0.0001176300000000 ] - [ -0.0000655300000000, 0.0003986000000000, 0.0000325000000000 ] - [ 0.0002702000000000, 0.0008791600000000, 0.0001992700000000 ] - [ -0.0001802300000000, 0.0013647200000000, 0.0002178800000000 ] - [ 0.0003057500000000, -0.0000091200000000, -0.0002643500000000 ] - [ 0.0006559100000000, 0.0004756500000000, 0.0011868000000000 ] - [ -0.0002163000000000, 0.0005359300000000, -0.0007185600000000 ] - [ -0.0000764800000000, 0.0005135700000000, -0.0006533200000000 ] - [ 0.0006556600000000, -0.0012054600000000, 0.0002518600000000 ] - [ -0.0001632200000000, -0.0040557500000000, -0.0003272200000000 ] - [ -0.0001124600000000, 0.0008377400000000, 0.0001886700000000 ] - [ 0.0001614200000000, 0.0013035700000000, 0.0004143000000000 ] - [ 0.0011282100000000, 0.0005135700000000, -0.0003684400000000 ] - [ 0.0005015800000000, -0.0001041900000000, -0.0003476000000000 ] - [ 0.0004006400000000, -0.0008718300000000, -0.0000473600000000 ] - [ -0.0007498100000000, -0.0036335800000000, -0.0004512000000000 ] - [ -0.0048182100000000, -0.0020666600000000, 0.0052844900000000 ] - [ -0.0000509300000000, -0.0010282600000000, 0.0002969200000000 ] - [ 0.0004680400000000, -0.0000713200000000, -0.0001841800000000 ] - [ 0.0003109600000000, 0.0001228800000000, -0.0002259600000000 ] - [ 0.0018443900000000, 0.0053260800000000, -0.0009110400000000 ] - [ 0.0000360300000000, -0.0008059500000000, -0.0003796800000000 ] - [ 0.0000082200000000, 0.0009727900000000, 0.0002918300000000 ] - [ -0.0001045500000000, 0.0013021900000000, 0.0002828500000000 ] - [ -0.0008046800000000, 0.0010131400000000, -0.0002800100000000 ] - [ 0.0002730100000000, 0.0005677700000000, -0.0000766700000000 ] - [ 0.0004891600000000, -0.0000011900000000, 0.0003671500000000 ] - [ -0.0021210900000000, 0.0011146900000000, 0.0007131300000000 ] - [ -0.0003776000000000, 0.0027216600000000, 0.0005366500000000 ] - [ -0.0000282800000000, 0.0003424400000000, -0.0002026600000000 ] - [ -0.0002404200000000, 0.0006200900000000, 0.0001347200000000 ] - [ -0.0001772800000000, 0.0001663400000000, 0.0001339000000000 ] - [ 0.0003857500000000, 0.0012046400000000, -0.0000984900000000 ] - [ 0.0004688100000000, 0.0001658400000000, -0.0000014900000000 ] - [ -0.0007705100000000, 0.0002736500000000, 0.0002447000000000 ] - [ 0.0000297000000000, 0.0002830400000000, 0.0004029300000000 ] - [ 0.0009944900000000, -0.0019377800000000, 0.0010811400000000 ] - [ -0.0000591000000000, -0.0006487100000000, 0.0006156100000000 ] - [ -0.0001894200000000, 0.0009266100000000, -0.0003271800000000 ] - [ 0.0001709200000000, 0.0004280200000000, -0.0001527500000000 ] - [ -0.0004737700000000, -0.0024771300000000, -0.0003423600000000 ] - [ 0.0000153400000000, 0.0001653300000000, -0.0002352400000000 ] - [ 0.0001015300000000, 0.0006899000000000, 0.0004184200000000 ] - [ 0.0002743200000000, 0.0006338600000000, 0.0004469700000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010748700000000, -0.0075127500000000, 0.0003662600000000 ] - [ -0.0000518100000000, -0.0005718100000000, -0.0002070400000000 ] - [ 0.0007648700000000, 0.0006928600000000, -0.0000085400000000 ] - [ -0.0017685600000000, 0.0027773800000000, -0.0008468300000000 ] - [ -0.0020227900000000, -0.0089620200000000, -0.0029831500000000 ] - [ 0.0001169000000000, -0.0000803600000000, -0.0000591400000000 ] - [ -0.0006105600000000, -0.0008686900000000, 0.0002859600000000 ] - [ -0.0066950000000000, -0.0118186900000000, -0.0023733500000000 ] - [ -0.0004916100000000, 0.0017537200000000, 0.0003014000000000 ] - [ -0.0005467200000000, 0.0007498700000000, 0.0003525700000000 ] - [ -0.0000518800000000, -0.0014680700000000, -0.0005267500000000 ] - [ 0.0007846200000000, -0.0026425200000000, -0.0004498400000000 ] - [ -0.0001637900000000, 0.0015468000000000, 0.0000534600000000 ] - [ 0.0003107800000000, 0.0024069900000000, 0.0001615200000000 ] - [ 0.0000558600000000, 0.0021783700000000, -0.0003315100000000 ] - [ 0.0002009000000000, 0.0009699500000000, -0.0003610900000000 ] - [ 0.0000691400000000, 0.0032988400000000, -0.0019640700000000 ] - [ 0.0000693700000000, 0.0005490000000000, 0.0001808700000000 ] - [ -0.0013474000000000, 0.0027799000000000, 0.0016438000000000 ] - [ 0.0001860200000000, 0.0006331800000000, -0.0001539400000000 ] - [ 0.0001545200000000, 0.0011098500000000, 0.0002354700000000 ] - [ 0.0004110600000000, 0.0018381800000000, 0.0003162700000000 ] - [ 0.0009384600000000, 0.0009354600000000, 0.0005230400000000 ] - [ -0.0009830500000000, 0.0016725600000000, 0.0001161500000000 ] - [ -0.0004045700000000, -0.0027908700000000, 0.0000028100000000 ] - [ 0.0005340800000000, -0.0009928000000000, 0.0002289300000000 ] - [ 0.0015740500000000, -0.0011519300000000, 0.0004960000000000 ] - [ -0.0006604300000000, -0.0017524900000000, -0.0007256200000000 ] - [ 0.0095678400000000, -0.0193742500000000, 0.0010447000000000 ] - [ 0.0002794600000000, -0.0017481300000000, 0.0001619600000000 ] - [ 0.0006333900000000, 0.0002065600000000, -0.0000729600000000 ] - [ 0.0001605200000000, 0.0003629900000000, -0.0001924400000000 ] - [ 0.0001497800000000, -0.0006078200000000, 0.0001513600000000 ] - [ 0.0014732000000000, 0.0002247400000000, 0.0012380900000000 ] - [ 0.0006412300000000, 0.0023749300000000, 0.0008716500000000 ] - [ -0.0012311800000000, 0.0001753100000000, 0.0004470200000000 ] - [ -0.0007382300000000, 0.0008365400000000, -0.0003335800000000 ] - [ -0.0002974300000000, 0.0003108600000000, -0.0001104900000000 ] - [ 0.0021842800000000, -0.0007265800000000, 0.0005530100000000 ] - [ -0.0016842600000000, -0.0019709100000000, 0.0000787300000000 ] - [ -0.0001916300000000, 0.0002889500000000, -0.0008257000000000 ] - [ 0.0020870800000000, 0.0007970500000000, -0.0008334200000000 ] - [ 0.0003913300000000, 0.0009056900000000, 0.0001585400000000 ] - [ -0.0000422000000000, 0.0011125100000000, 0.0000412700000000 ] - [ -0.0006248100000000, 0.0011544700000000, 0.0000465400000000 ] - [ -0.0001180300000000, 0.0003348500000000, 0.0001180800000000 ] - [ 0.0000895500000000, 0.0010001600000000, 0.0000257800000000 ] - [ -0.0010166800000000, -0.0004533400000000, -0.0004685200000000 ] - [ -0.0009201400000000, 0.0002143400000000, -0.0001847800000000 ] - [ 0.0005924500000000, -0.0002489500000000, 0.0008375400000000 ] - [ 0.0003692300000000, 0.0003259700000000, 0.0002480300000000 ] - [ -0.0011613800000000, 0.0003583800000000, -0.0014105500000000 ] - [ 0.0009336300000000, 0.0566271000000000, 0.0068119800000000 ] - [ 0.0000711700000000, 0.0006506700000000, 0.0000209000000000 ] - [ 0.0001446500000000, -0.0009040400000000, 0.0004343900000000 ] - [ -0.0003400500000000, -0.0014252000000000, 0.0004608800000000 ] - [ -0.0002476000000000, -0.0011113200000000, -0.0000937900000000 ] - [ -0.0002528600000000, -0.0006045200000000, -0.0001195400000000 ] - [ 0.0026684300000000, 0.0019850300000000, 0.0032091700000000 ] - [ 0.0000873300000000, 0.0004054600000000, -0.0007120700000000 ] - [ 0.0002646600000000, -0.0003772500000000, -0.0000243600000000 ] - [ -0.0007535300000000, -0.0019545800000000, -0.0001850500000000 ] - [ -0.0007600200000000, 0.0002121400000000, 0.0002279400000000 ] - [ 0.0010007200000000, 0.0005238700000000, 0.0005637000000000 ] - [ -0.0001969900000000, -0.0003623900000000, -0.0001712400000000 ] - [ -0.0006312300000000, -0.0005516800000000, -0.0004398500000000 ] - [ 0.0004775200000000, -0.0009382500000000, 0.0001147700000000 ] - [ 0.0004688800000000, -0.0002053700000000, 0.0000475200000000 ] - [ -0.0000615400000000, -0.0006891400000000, -0.0002298200000000 ] - [ 0.0002585900000000, -0.0003351600000000, -0.0001006400000000 ] - [ -0.0003318200000000, -0.0007011700000000, 0.0001929700000000 ] - [ -0.0005001700000000, -0.0000630500000000, 0.0001974300000000 ] - [ -0.0007848200000000, -0.0000894300000000, -0.0001729000000000 ] - [ 0.0007923200000000, 0.0001385500000000, 0.0002401100000000 ] - [ -0.0103180800000000, 0.0019015300000000, -0.0013220400000000 ] - [ -0.0000793200000000, 0.0008041800000000, -0.0004297700000000 ] - [ -0.0004226000000000, -0.0002713700000000, -0.0005105900000000 ] - [ 0.0008478700000000, -0.0001049700000000, -0.0000560700000000 ] - [ -0.0001348100000000, -0.0017694700000000, -0.0003404500000000 ] - [ 0.0001771700000000, -0.0004678500000000, 0.0000223100000000 ] - [ -0.0001491200000000, 0.0001137100000000, 0.0000969700000000 ] - [ -0.0016520700000000, -0.0005668700000000, 0.0011838800000000 ] - [ -0.0002994400000000, -0.0003200100000000, 0.0005740000000000 ] - [ -0.0010817300000000, -0.0004195100000000, 0.0002108900000000 ] - [ 0.0016743000000000, 0.0002057400000000, 0.0001862900000000 ] - [ -0.0013889200000000, 0.0004343500000000, 0.0004651300000000 ] - [ 0.0002874800000000, -0.0009597000000000, 0.0003173200000000 ] - [ 0.0007189200000000, -0.0014102500000000, 0.0005999000000000 ] - [ 0.0026666800000000, -0.0140294400000000, -0.0004275100000000 ] - [ -0.0002794400000000, 0.0006952500000000, -0.0001884400000000 ] - [ -0.0001403000000000, -0.0010468100000000, -0.0003286100000000 ] - [ -0.0001577400000000, -0.0000718600000000, -0.0002796700000000 ] - [ -0.0013267000000000, 0.0008712300000000, -0.0003590900000000 ] - [ -0.0003317500000000, 0.0010062400000000, 0.0001297600000000 ] - [ -0.0000906200000000, -0.0002015900000000, 0.0000384700000000 ] - [ 0.0000205800000000, -0.0005701000000000, 0.0001042700000000 ] - [ 0.0007500900000000, -0.0005381800000000, -0.0000905200000000 ] - [ 0.0005678800000000, -0.0002005600000000, -0.0000805700000000 ] - [ -0.0004374900000000, -0.0005834500000000, 0.0006119700000000 ] - [ -0.0002772900000000, -0.0006104200000000, 0.0006499300000000 ] - [ -0.0002823700000000, -0.0006574800000000, -0.0000096100000000 ] - [ 0.0001320700000000, -0.0002474400000000, 0.0000746100000000 ] - [ -0.0000575500000000, 0.0002089400000000, 0.0001153700000000 ] - [ 0.0003906800000000, -0.0002741500000000, 0.0000974300000000 ] - [ 0.0004779600000000, 0.0003601400000000, -0.0002069900000000 ] - [ 0.0001309200000000, -0.0001216000000000, -0.0016633200000000 ] - [ 0.0000159200000000, -0.0004697000000000, -0.0006320100000000 ] - [ -0.0001258700000000, -0.0004476000000000, -0.0006977600000000 ] - [ -0.0002693600000000, 0.0007712800000000, -0.0000057900000000 ] - [ 0.0006056400000000, 0.0036182800000000, 0.0005627100000000 ] - [ 0.0001486900000000, 0.0002608400000000, 0.0002323500000000 ] - [ -0.0001257500000000, -0.0002058200000000, 0.0000060500000000 ] - [ 0.0002764700000000, -0.0011081400000000, -0.0001962400000000 ] - [ 0.0008979400000000, -0.0004916500000000, -0.0002162700000000 ] - [ -0.0000074300000000, 0.0004693800000000, -0.0001822000000000 ] - [ 0.0011725700000000, 0.0032255900000000, 0.0002584200000000 ] - [ 0.0041077100000000, 0.0010617300000000, -0.0048321100000000 ] - [ -0.0006572900000000, -0.0000093600000000, 0.0001406200000000 ] - [ 0.0002398200000000, -0.0009670700000000, -0.0002534600000000 ] - [ 0.0003953300000000, -0.0011610800000000, -0.0002121800000000 ] - [ -0.0017739700000000, -0.0064487200000000, 0.0001510700000000 ] - [ -0.0000054900000000, -0.0004185800000000, -0.0003706700000000 ] - [ 0.0000332200000000, 0.0002506200000000, 0.0002670800000000 ] - [ 0.0001453300000000, -0.0000786500000000, 0.0002757100000000 ] - [ 0.0005475200000000, -0.0005930800000000, 0.0000118700000000 ] - [ -0.0005365000000000, -0.0001464400000000, -0.0001921900000000 ] - [ -0.0003291200000000, 0.0003063800000000, 0.0001553200000000 ] - [ 0.0022691700000000, -0.0008042100000000, -0.0001832900000000 ] - [ 0.0003331000000000, -0.0016200300000000, -0.0009424200000000 ] - [ -0.0000088500000000, 0.0007532700000000, -0.0002182400000000 ] - [ -0.0001548100000000, -0.0010208300000000, 0.0000940100000000 ] - [ -0.0002186500000000, -0.0005682800000000, 0.0000944200000000 ] - [ 0.0003858300000000, -0.0013404900000000, 0.0000761900000000 ] - [ 0.0003025700000000, -0.0003088200000000, -0.0000204100000000 ] - [ 0.0000760300000000, -0.0004830300000000, 0.0002287900000000 ] - [ -0.0007273600000000, -0.0004945000000000, 0.0000702300000000 ] - [ -0.0007897200000000, 0.0019918000000000, 0.0002760100000000 ] - [ 0.0002623200000000, 0.0007139700000000, 0.0007353700000000 ] - [ 0.0003968300000000, -0.0006314500000000, -0.0000098200000000 ] - [ 0.0000344400000000, -0.0001318200000000, -0.0001853500000000 ] - [ 0.0004319500000000, 0.0036896600000000, -0.0002235200000000 ] - [ -0.0000589400000000, 0.0010577000000000, -0.0003243800000000 ] - [ 0.0003760900000000, -0.0003999800000000, 0.0004849900000000 ] - [ 0.0002010800000000, -0.0003438700000000, 0.0004558400000000 ]- atom: 53 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0024245700000000, 0.0010159900000000, 0.0041043600000000 ] - [ -0.0003127100000000, 0.0003552000000000, -0.0001733400000000 ] - [ 0.0001275400000000, 0.0004193500000000, -0.0001644400000000 ] - [ -0.0001153800000000, 0.0004519600000000, 0.0008840400000000 ] - [ 0.0021062000000000, 0.0039169200000000, 0.0071528500000000 ] - [ 0.0000261400000000, 0.0007508200000000, -0.0002184700000000 ] - [ 0.0001233300000000, 0.0002948100000000, 0.0003684000000000 ] - [ -0.0003350500000000, 0.0013331000000000, 0.0060611600000000 ] - [ -0.0004962600000000, -0.0000462700000000, 0.0003485500000000 ] - [ -0.0005476100000000, -0.0000363600000000, 0.0003529100000000 ] - [ -0.0004518300000000, 0.0002190000000000, -0.0004818600000000 ] - [ 0.0017592200000000, 0.0002525600000000, -0.0034033700000000 ] - [ -0.0000154000000000, 0.0006733400000000, 0.0000719400000000 ] - [ -0.0000615600000000, 0.0005964000000000, 0.0001332900000000 ] - [ 0.0002757400000000, 0.0000377700000000, -0.0003103900000000 ] - [ 0.0001868000000000, 0.0002601200000000, -0.0003576700000000 ] - [ -0.0001630200000000, 0.0010416800000000, 0.0002384100000000 ] - [ -0.0001418000000000, 0.0003790600000000, 0.0001125500000000 ] - [ -0.0000803000000000, -0.0006957200000000, -0.0004069500000000 ] - [ -0.0002644000000000, 0.0005176100000000, -0.0002544900000000 ] - [ 0.0001888100000000, 0.0002888800000000, 0.0002546900000000 ] - [ 0.0002149300000000, 0.0002251500000000, 0.0001935200000000 ] - [ -0.0000063900000000, 0.0003923900000000, 0.0002594800000000 ] - [ 0.0004882600000000, 0.0005063000000000, -0.0005875100000000 ] - [ 0.0012584100000000, 0.0007354000000000, -0.0054768600000000 ] - [ -0.0004782100000000, 0.0000016100000000, -0.0002458400000000 ] - [ 0.0005021600000000, -0.0002815400000000, -0.0004929000000000 ] - [ -0.0010222600000000, 0.0009594300000000, -0.0004479100000000 ] - [ -0.0056239100000000, 0.0015469800000000, 0.0099196700000000 ] - [ -0.0001706000000000, -0.0004952500000000, 0.0001854300000000 ] - [ 0.0003609100000000, -0.0007564500000000, -0.0001193200000000 ] - [ 0.0004113900000000, -0.0007713700000000, -0.0001243700000000 ] - [ 0.0008012200000000, -0.0006632800000000, 0.0001775100000000 ] - [ 0.0004384100000000, -0.0009923500000000, 0.0001909300000000 ] - [ -0.0009449400000000, -0.0000359300000000, 0.0010620900000000 ] - [ -0.0008044700000000, -0.0001430900000000, 0.0005592000000000 ] - [ -0.0004488300000000, -0.0004389500000000, -0.0001991400000000 ] - [ -0.0005274300000000, -0.0004056000000000, -0.0001842000000000 ] - [ 0.0005392100000000, -0.0000524900000000, 0.0006376000000000 ] - [ 0.0017867600000000, -0.0014574500000000, 0.0002828000000000 ] - [ 0.0009073200000000, -0.0001283000000000, -0.0002956200000000 ] - [ 0.0009978000000000, 0.0000756600000000, -0.0003299100000000 ] - [ 0.0001298000000000, -0.0000333700000000, 0.0000728300000000 ] - [ 0.0001452500000000, 0.0000240400000000, 0.0000901000000000 ] - [ -0.0002770700000000, -0.0004472500000000, 0.0001235900000000 ] - [ -0.0003125700000000, -0.0003752200000000, 0.0000733100000000 ] - [ -0.0004615900000000, -0.0008477000000000, -0.0008735500000000 ] - [ -0.0007995700000000, -0.0006307600000000, -0.0003759800000000 ] - [ -0.0005087400000000, 0.0000295200000000, 0.0000062400000000 ] - [ 0.0002998000000000, -0.0013785100000000, 0.0003923900000000 ] - [ -0.0006250900000000, -0.0000409000000000, 0.0008940800000000 ] - [ 0.0000351700000000, 0.0001921400000000, 0.0001797500000000 ] - [ 0.0154068700000000, -0.0065366000000000, -0.0387540000000000 ] - [ 0.0000552400000000, 0.0001442500000000, -0.0000132900000000 ] - [ -0.0000120300000000, -0.0006067800000000, 0.0003516900000000 ] - [ -0.0000278200000000, -0.0006790900000000, 0.0003404100000000 ] - [ -0.0001923100000000, -0.0001597700000000, -0.0001531900000000 ] - [ -0.0001891200000000, -0.0001959000000000, -0.0001246800000000 ] - [ 0.0056731700000000, -0.0028653100000000, 0.0042884800000000 ] - [ 0.0002725100000000, -0.0001606000000000, -0.0004827200000000 ] - [ -0.0001267100000000, -0.0003253100000000, 0.0000020400000000 ] - [ 0.0000502500000000, -0.0000230100000000, -0.0001368400000000 ] - [ -0.0003178000000000, 0.0000222600000000, 0.0002425300000000 ] - [ 0.0001904300000000, 0.0000401100000000, -0.0006503700000000 ] - [ -0.0006720300000000, -0.0007171000000000, 0.0007396700000000 ] - [ -0.0003621100000000, -0.0006276600000000, -0.0003318300000000 ] - [ 0.0005352100000000, 0.0001010000000000, 0.0001730100000000 ] - [ 0.0005819700000000, 0.0000438300000000, 0.0000898700000000 ] - [ 0.0001678200000000, 0.0000642600000000, -0.0000639900000000 ] - [ 0.0001854500000000, -0.0000165200000000, -0.0001209000000000 ] - [ -0.0004518400000000, 0.0001855300000000, 0.0003214100000000 ] - [ -0.0003555800000000, 0.0001932200000000, 0.0002461000000000 ] - [ 0.0002495100000000, 0.0001530000000000, -0.0000832800000000 ] - [ -0.0001023800000000, 0.0003509200000000, 0.0001080400000000 ] - [ -0.0037951500000000, -0.0018372000000000, -0.0057097200000000 ] - [ -0.0006456600000000, 0.0002414000000000, -0.0005983800000000 ] - [ 0.0004700700000000, 0.0000504300000000, 0.0000837500000000 ] - [ 0.0005159900000000, -0.0002570200000000, -0.0001132000000000 ] - [ 0.0000902600000000, 0.0003910200000000, -0.0000459100000000 ] - [ 0.0000623100000000, -0.0003454400000000, 0.0000391200000000 ] - [ -0.0003736500000000, -0.0001121300000000, -0.0000881200000000 ] - [ -0.0008614900000000, -0.0007420600000000, -0.0001657600000000 ] - [ -0.0006042700000000, -0.0004750300000000, 0.0002798300000000 ] - [ -0.0007383400000000, -0.0003025100000000, 0.0004678300000000 ] - [ -0.0002166000000000, 0.0002377000000000, -0.0008673000000000 ] - [ 0.0000925200000000, -0.0001748100000000, -0.0003400800000000 ] - [ 0.0004499300000000, -0.0005925800000000, 0.0003942900000000 ] - [ 0.0004327000000000, -0.0006827000000000, 0.0003588800000000 ] - [ 0.0004277300000000, 0.0010955200000000, -0.0029359100000000 ] - [ -0.0001170600000000, 0.0005310000000000, -0.0001614800000000 ] - [ -0.0000625800000000, 0.0002325000000000, -0.0003474600000000 ] - [ -0.0000740900000000, 0.0001645200000000, -0.0002600200000000 ] - [ -0.0001620800000000, 0.0002662700000000, -0.0000097400000000 ] - [ -0.0009179200000000, 0.0001129700000000, 0.0011768700000000 ] - [ -0.0001106500000000, 0.0002084300000000, 0.0000073400000000 ] - [ -0.0001419800000000, 0.0002443700000000, -0.0000057100000000 ] - [ 0.0006481100000000, 0.0002311800000000, -0.0000566100000000 ] - [ 0.0006800500000000, 0.0001965300000000, -0.0000609000000000 ] - [ -0.0003115200000000, -0.0001022900000000, 0.0006423100000000 ] - [ -0.0003055900000000, -0.0001055500000000, 0.0006220500000000 ] - [ 0.0000779100000000, 0.0001407100000000, -0.0000015300000000 ] - [ 0.0000249100000000, 0.0001086300000000, 0.0000529400000000 ] - [ 0.0001275300000000, 0.0005688800000000, 0.0001460900000000 ] - [ 0.0000563400000000, 0.0006276900000000, 0.0001260800000000 ] - [ 0.0003840500000000, 0.0001289400000000, -0.0001506200000000 ] - [ 0.0007305800000000, 0.0007631600000000, 0.0001711300000000 ] - [ -0.0001112900000000, 0.0000664100000000, -0.0006689300000000 ] - [ -0.0000914100000000, 0.0000650700000000, -0.0006686300000000 ] - [ 0.0001042600000000, -0.0001720000000000, -0.0001227200000000 ] - [ -0.0066890900000000, -0.0006986600000000, 0.0006371100000000 ] - [ 0.0000113100000000, 0.0005481200000000, 0.0002338400000000 ] - [ 0.0000475200000000, 0.0007091100000000, 0.0002433100000000 ] - [ 0.0006481200000000, -0.0003937200000000, -0.0002528500000000 ] - [ 0.0007193700000000, -0.0002952600000000, -0.0003211000000000 ] - [ 0.0001889300000000, -0.0002263000000000, 0.0000488400000000 ] - [ 0.0047942100000000, -0.0004376600000000, 0.0054874400000000 ] - [ -0.0080935300000000, 0.0041273600000000, 0.0069213300000000 ] - [ -0.0002877200000000, -0.0005537600000000, 0.0001440400000000 ] - [ 0.0003687500000000, -0.0004823600000000, -0.0002182700000000 ] - [ 0.0003454200000000, -0.0004900700000000, -0.0001978200000000 ] - [ 0.0003451900000000, -0.0013306500000000, -0.0026963200000000 ] - [ -0.0000133300000000, -0.0006008500000000, -0.0003787400000000 ] - [ 0.0000270000000000, 0.0006339400000000, 0.0002853200000000 ] - [ 0.0000076500000000, 0.0006439400000000, 0.0002801200000000 ] - [ -0.0001763500000000, 0.0002879500000000, -0.0002391100000000 ] - [ -0.0001105400000000, 0.0002102300000000, -0.0001466500000000 ] - [ 0.0001186900000000, 0.0001331500000000, 0.0002048100000000 ] - [ -0.0012681000000000, 0.0016076000000000, 0.0001641300000000 ] - [ -0.0018114900000000, -0.0004244200000000, 0.0040345100000000 ] - [ 0.0000484700000000, 0.0005321700000000, -0.0001982500000000 ] - [ -0.0002160400000000, -0.0001450800000000, 0.0001351100000000 ] - [ -0.0001862500000000, -0.0001821800000000, 0.0001191000000000 ] - [ 0.0003810000000000, -0.0000841200000000, -0.0001174200000000 ] - [ 0.0003907200000000, -0.0000564800000000, -0.0000089800000000 ] - [ -0.0004277600000000, -0.0000634000000000, 0.0003085400000000 ] - [ -0.0002820000000000, -0.0000491000000000, 0.0002594400000000 ] - [ -0.0007754000000000, -0.0001454900000000, 0.0027413700000000 ] - [ 0.0005198200000000, -0.0000436300000000, 0.0007838900000000 ] - [ 0.0000985600000000, 0.0001451200000000, -0.0001741800000000 ] - [ 0.0001119000000000, 0.0001599300000000, -0.0001578700000000 ] - [ -0.0014214300000000, 0.0004844800000000, 0.0043961500000000 ] - [ 0.0001343700000000, 0.0006395200000000, -0.0002481900000000 ] - [ 0.0002307200000000, 0.0001790800000000, 0.0004397700000000 ] - [ 0.0002397200000000, 0.0001656100000000, 0.0004500300000000 ]- atom: 53 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ 0.0022906700000000, -0.0000281400000000, -0.0051557300000000 ] - [ -0.0000967300000000, 0.0002868600000000, -0.0003398200000000 ] - [ 0.0000807900000000, 0.0003290400000000, -0.0001007600000000 ] - [ 0.0003296200000000, 0.0002974500000000, -0.0011470200000000 ] - [ -0.0019302600000000, -0.0020679700000000, -0.0068770500000000 ] - [ 0.0000373700000000, 0.0007073900000000, 0.0000769700000000 ] - [ -0.0005315600000000, 0.0002969600000000, 0.0003207000000000 ] - [ -0.0000650300000000, -0.0007178300000000, -0.0053503000000000 ] - [ -0.0005510500000000, 0.0000425100000000, 0.0003528200000000 ] - [ -0.0005003900000000, 0.0000374900000000, 0.0003496800000000 ] - [ 0.0014977900000000, -0.0002099500000000, -0.0002137600000000 ] - [ -0.0006964000000000, -0.0002282600000000, 0.0027094200000000 ] - [ -0.0000466600000000, 0.0007777400000000, 0.0000708200000000 ] - [ -0.0000017200000000, 0.0008492800000000, 0.0000096300000000 ] - [ 0.0001352300000000, 0.0005410000000000, -0.0003807000000000 ] - [ 0.0002232300000000, 0.0003259200000000, -0.0003352200000000 ] - [ -0.0000488600000000, -0.0003039000000000, 0.0000426700000000 ] - [ -0.0000698800000000, 0.0003685800000000, 0.0001509500000000 ] - [ -0.0002868300000000, 0.0017153700000000, -0.0001243300000000 ] - [ -0.0001153000000000, 0.0005050100000000, -0.0002621600000000 ] - [ 0.0002187100000000, 0.0003462600000000, 0.0002586600000000 ] - [ 0.0001927400000000, 0.0004064100000000, 0.0003196000000000 ] - [ 0.0003782400000000, 0.0006290200000000, 0.0002581500000000 ] - [ -0.0001003800000000, 0.0005082000000000, 0.0011081800000000 ] - [ -0.0015758900000000, -0.0006368700000000, 0.0052932500000000 ] - [ 0.0001720500000000, 0.0000788900000000, 0.0000568300000000 ] - [ 0.0004629000000000, -0.0004258800000000, 0.0008269800000000 ] - [ 0.0020125800000000, -0.0016662000000000, 0.0007830000000000 ] - [ 0.0048320400000000, -0.0029084700000000, -0.0096259900000000 ] - [ -0.0006048000000000, -0.0008930300000000, 0.0000731900000000 ] - [ 0.0004121200000000, -0.0006404400000000, -0.0001408900000000 ] - [ 0.0003642700000000, -0.0006261100000000, -0.0001353300000000 ] - [ 0.0006045100000000, -0.0007054900000000, 0.0005405900000000 ] - [ 0.0009664900000000, -0.0003844500000000, 0.0005193900000000 ] - [ -0.0007814900000000, -0.0001218000000000, -0.0000058800000000 ] - [ -0.0009183100000000, -0.0000143300000000, 0.0004942900000000 ] - [ -0.0005277700000000, -0.0002767700000000, -0.0001358600000000 ] - [ -0.0004510700000000, -0.0003082400000000, -0.0001519500000000 ] - [ 0.0000642500000000, -0.0006168100000000, -0.0007681400000000 ] - [ -0.0011952400000000, 0.0007835700000000, -0.0004135800000000 ] - [ 0.0008240000000000, -0.0000386200000000, -0.0007610100000000 ] - [ 0.0007230400000000, -0.0002450400000000, -0.0007232700000000 ] - [ 0.0001687600000000, 0.0001074500000000, 0.0001197300000000 ] - [ 0.0001562700000000, 0.0000491700000000, 0.0001029200000000 ] - [ -0.0003164000000000, -0.0002484200000000, 0.0000265300000000 ] - [ -0.0002836700000000, -0.0003165300000000, 0.0000769500000000 ] - [ -0.0009532500000000, -0.0005434000000000, 0.0001415200000000 ] - [ -0.0006053000000000, -0.0007409800000000, -0.0003499900000000 ] - [ -0.0006074600000000, 0.0000349300000000, -0.0001678400000000 ] - [ -0.0014335300000000, 0.0014501200000000, -0.0005531500000000 ] - [ 0.0002944100000000, 0.0000037200000000, -0.0006362600000000 ] - [ -0.0003652900000000, -0.0002264200000000, 0.0000912300000000 ] - [ -0.0154890200000000, 0.0061704700000000, 0.0388195400000000 ] - [ 0.0001767500000000, 0.0002277300000000, -0.0000068300000000 ] - [ -0.0000179200000000, -0.0006150900000000, 0.0003981600000000 ] - [ -0.0000005500000000, -0.0005401000000000, 0.0004082000000000 ] - [ -0.0001986300000000, -0.0002713400000000, -0.0000942200000000 ] - [ -0.0002018400000000, -0.0002375500000000, -0.0001225400000000 ] - [ -0.0049873000000000, 0.0025747000000000, -0.0055567000000000 ] - [ 0.0003532700000000, -0.0000976800000000, -0.0007951300000000 ] - [ -0.0000020000000000, -0.0003721000000000, 0.0000017100000000 ] - [ -0.0001728200000000, -0.0006580200000000, 0.0001398100000000 ] - [ 0.0001108300000000, 0.0002697900000000, 0.0001032500000000 ] - [ -0.0003951000000000, 0.0002492800000000, 0.0009910800000000 ] - [ -0.0001850900000000, -0.0005619700000000, -0.0014647900000000 ] - [ -0.0004919100000000, -0.0006408200000000, -0.0003887500000000 ] - [ 0.0005834800000000, -0.0000319200000000, -0.0000093100000000 ] - [ 0.0005376500000000, 0.0000227200000000, 0.0000742300000000 ] - [ 0.0001699600000000, -0.0000915200000000, -0.0001916700000000 ] - [ 0.0001501000000000, -0.0000137200000000, -0.0001357500000000 ] - [ -0.0003340600000000, 0.0001722700000000, 0.0001497700000000 ] - [ -0.0004283400000000, 0.0001584000000000, 0.0002249200000000 ] - [ 0.0000180700000000, 0.0002650500000000, 0.0003509300000000 ] - [ 0.0003647300000000, 0.0000706100000000, 0.0001593700000000 ] - [ 0.0032043400000000, 0.0020738800000000, 0.0048266800000000 ] - [ 0.0001672600000000, 0.0000467400000000, -0.0003049800000000 ] - [ 0.0002358800000000, -0.0002583800000000, -0.0005551000000000 ] - [ 0.0001771200000000, 0.0000457400000000, -0.0003611200000000 ] - [ 0.0000407000000000, -0.0010747300000000, 0.0000391000000000 ] - [ 0.0000648200000000, -0.0003512100000000, -0.0000407900000000 ] - [ -0.0003978100000000, -0.0000288500000000, 0.0001102600000000 ] - [ 0.0000942100000000, 0.0006009000000000, 0.0001770000000000 ] - [ -0.0007967700000000, -0.0001199400000000, 0.0002816900000000 ] - [ -0.0006611100000000, -0.0002915900000000, 0.0000964700000000 ] - [ 0.0001367000000000, -0.0000790600000000, 0.0007609500000000 ] - [ -0.0001525400000000, 0.0003274400000000, 0.0002284300000000 ] - [ 0.0004075600000000, -0.0006735700000000, 0.0003282300000000 ] - [ 0.0004216300000000, -0.0005819100000000, 0.0003634800000000 ] - [ -0.0006557800000000, 0.0000805700000000, 0.0026266000000000 ] - [ -0.0000944100000000, 0.0005590100000000, -0.0001527600000000 ] - [ -0.0000996500000000, 0.0000813200000000, -0.0001748400000000 ] - [ -0.0000872100000000, 0.0001446100000000, -0.0002625400000000 ] - [ -0.0011605800000000, 0.0000784000000000, 0.0001178700000000 ] - [ -0.0004141000000000, 0.0002329600000000, -0.0010666200000000 ] - [ -0.0001210400000000, 0.0001674100000000, 0.0000135500000000 ] - [ -0.0000906900000000, 0.0001333200000000, 0.0000258700000000 ] - [ 0.0006808200000000, 0.0001199100000000, -0.0000561600000000 ] - [ 0.0006497200000000, 0.0001533800000000, -0.0000523300000000 ] - [ -0.0003129000000000, -0.0001513100000000, 0.0006370100000000 ] - [ -0.0003197400000000, -0.0001480200000000, 0.0006567700000000 ] - [ -0.0000079900000000, 0.0000153600000000, 0.0001096000000000 ] - [ 0.0000425800000000, 0.0000455800000000, 0.0000549600000000 ] - [ 0.0000858000000000, 0.0005228200000000, 0.0001692000000000 ] - [ 0.0001549500000000, 0.0004662500000000, 0.0001880100000000 ] - [ 0.0004033000000000, 0.0002196900000000, -0.0003188000000000 ] - [ 0.0000513100000000, -0.0004140200000000, -0.0006306700000000 ] - [ -0.0000897200000000, 0.0000007300000000, -0.0006807100000000 ] - [ -0.0001096100000000, 0.0000022000000000, -0.0006806400000000 ] - [ 0.0002831900000000, -0.0002638400000000, 0.0003684900000000 ] - [ 0.0070191500000000, 0.0002549600000000, -0.0004146300000000 ] - [ 0.0000254400000000, 0.0005496100000000, 0.0001883000000000 ] - [ -0.0000108600000000, 0.0003914800000000, 0.0001805000000000 ] - [ 0.0007538400000000, -0.0001961200000000, -0.0003058300000000 ] - [ 0.0006807600000000, -0.0002979300000000, -0.0002419800000000 ] - [ 0.0002094600000000, -0.0001779500000000, -0.0002761500000000 ] - [ -0.0044760900000000, 0.0000342500000000, -0.0057716200000000 ] - [ 0.0075068800000000, -0.0052580200000000, -0.0065452500000000 ] - [ -0.0004173600000000, -0.0004868100000000, 0.0002948600000000 ] - [ 0.0003397500000000, -0.0005533700000000, -0.0002189900000000 ] - [ 0.0003618400000000, -0.0005448700000000, -0.0002396300000000 ] - [ -0.0003221400000000, 0.0000890600000000, 0.0019507700000000 ] - [ 0.0000444500000000, -0.0006232600000000, -0.0003705600000000 ] - [ 0.0000144100000000, 0.0005909300000000, 0.0002742700000000 ] - [ 0.0000328500000000, 0.0005824800000000, 0.0002795900000000 ] - [ -0.0000896300000000, 0.0001380300000000, -0.0000302400000000 ] - [ -0.0001494100000000, 0.0002135300000000, -0.0001223200000000 ] - [ 0.0000435100000000, 0.0001730300000000, 0.0003188800000000 ] - [ 0.0014183200000000, -0.0012978100000000, 0.0003489400000000 ] - [ 0.0017761000000000, 0.0015597200000000, -0.0044694700000000 ] - [ -0.0000848600000000, 0.0005641500000000, -0.0002222600000000 ] - [ -0.0001798800000000, -0.0002527500000000, 0.0000944500000000 ] - [ -0.0002094400000000, -0.0002179400000000, 0.0001102000000000 ] - [ 0.0003906600000000, -0.0000546100000000, 0.0000953400000000 ] - [ 0.0003816400000000, -0.0000832600000000, -0.0000122800000000 ] - [ -0.0002704600000000, -0.0001479200000000, 0.0001665700000000 ] - [ -0.0004124800000000, -0.0001599700000000, 0.0002167100000000 ] - [ 0.0009934800000000, 0.0002023300000000, -0.0013872800000000 ] - [ -0.0003202400000000, 0.0001059300000000, 0.0005678700000000 ] - [ 0.0001063700000000, 0.0001533600000000, -0.0001643100000000 ] - [ 0.0000945000000000, 0.0001366000000000, -0.0001793500000000 ] - [ 0.0013683000000000, 0.0007235000000000, -0.0049373200000000 ] - [ -0.0001750800000000, 0.0005821300000000, -0.0003102600000000 ] - [ 0.0002464200000000, 0.0001125100000000, 0.0004633400000000 ] - [ 0.0002377600000000, 0.0001260000000000, 0.0004530600000000 ]- atom: 55 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0004967000000000, 0.0005510500000000, -0.0003608800000000 ] - [ 0.0001046800000000, -0.0000348200000000, -0.0001566100000000 ] - [ 0.0004989700000000, 0.0003934000000000, -0.0000016300000000 ] - [ -0.0002572800000000, 0.0003172700000000, -0.0002355900000000 ] - [ -0.0001894500000000, 0.0009457400000000, -0.0001020300000000 ] - [ 0.0002232900000000, 0.0003977000000000, -0.0000395500000000 ] - [ 0.0016353800000000, 0.0002986700000000, 0.0010342400000000 ] - [ -0.0012286200000000, 0.0002761800000000, 0.0000816400000000 ] - [ -0.0009068100000000, -0.0007318600000000, -0.0000301300000000 ] - [ -0.0002947000000000, 0.0008347300000000, 0.0005735300000000 ] - [ 0.0022118400000000, 0.0009952400000000, -0.0000220000000000 ] - [ -0.0003816600000000, -0.0002385700000000, -0.0005904500000000 ] - [ 0.0066308400000000, 0.0007836500000000, 0.0007550400000000 ] - [ -0.0016047100000000, 0.0006948300000000, -0.0003530100000000 ] - [ -0.0003935800000000, -0.0002698500000000, -0.0002876800000000 ] - [ 0.0004512800000000, 0.0013730200000000, -0.0004628100000000 ] - [ -0.0024838400000000, 0.0010201600000000, 0.0002565400000000 ] - [ 0.0077961800000000, -0.0001626300000000, 0.0003215800000000 ] - [ -0.0019405300000000, 0.0013473800000000, -0.0019040400000000 ] - [ 0.0003841600000000, -0.0009300500000000, 0.0001946100000000 ] - [ 0.0067771900000000, 0.0018805000000000, 0.0000213200000000 ] - [ -0.0012206800000000, 0.0002737800000000, -0.0001155900000000 ] - [ 0.0006171300000000, 0.0004406900000000, 0.0003543200000000 ] - [ -0.0001821300000000, 0.0004848600000000, 0.0001645800000000 ] - [ -0.0004298300000000, 0.0006976100000000, -0.0000676100000000 ] - [ -0.0004710100000000, -0.0012319100000000, -0.0003637100000000 ] - [ 0.0007800600000000, -0.0002545800000000, 0.0002796500000000 ] - [ 0.0001871800000000, -0.0004645000000000, 0.0000641800000000 ] - [ -0.0008468200000000, 0.0002826200000000, -0.0000376400000000 ] - [ -0.0008347000000000, -0.0018429700000000, 0.0001885600000000 ] - [ 0.0022308600000000, -0.0023098900000000, -0.0000840300000000 ] - [ -0.0002516700000000, -0.0003954400000000, -0.0002890000000000 ] - [ 0.0018715600000000, -0.0003735200000000, 0.0024898100000000 ] - [ -0.0007539700000000, -0.0009450800000000, -0.0002814600000000 ] - [ -0.0008937800000000, -0.0003449100000000, 0.0004990000000000 ] - [ -0.0009075200000000, 0.0000873400000000, 0.0005248200000000 ] - [ -0.0009427300000000, -0.0010495400000000, 0.0001223200000000 ] - [ -0.0017919400000000, 0.0012614200000000, -0.0014917500000000 ] - [ 0.0006123500000000, -0.0002151700000000, -0.0000154000000000 ] - [ -0.0000104800000000, -0.0004583000000000, -0.0001284100000000 ] - [ 0.0199054400000000, -0.0103557400000000, 0.0025459900000000 ] - [ -0.0008171800000000, -0.0003693600000000, -0.0007209300000000 ] - [ 0.0006503000000000, -0.0002733900000000, 0.0004220600000000 ] - [ -0.0004320600000000, 0.0003100400000000, -0.0000634800000000 ] - [ -0.0037745400000000, -0.0027445600000000, -0.0012216600000000 ] - [ -0.0026410400000000, 0.0014071300000000, 0.0004014900000000 ] - [ -0.0007150100000000, -0.0008623100000000, -0.0003629100000000 ] - [ -0.0007241900000000, -0.0005374500000000, -0.0003808400000000 ] - [ -0.0007427200000000, 0.0000644200000000, -0.0001453300000000 ] - [ -0.0003935700000000, 0.0000259300000000, -0.0000256300000000 ] - [ -0.0003746600000000, -0.0006006600000000, -0.0002983800000000 ] - [ 0.0003811100000000, 0.0002208200000000, 0.0003803800000000 ] - [ 0.0003810400000000, 0.0000287300000000, 0.0000619700000000 ] - [ -0.0001895500000000, 0.0005132300000000, -0.0001067400000000 ] - [ -0.0453295300000000, 0.0106618000000000, -0.0057431000000000 ] - [ 0.0008533700000000, -0.0006346900000000, 0.0005527100000000 ] - [ 0.0004857500000000, 0.0004532300000000, 0.0000789500000000 ] - [ -0.0001120900000000, -0.0012989000000000, -0.0003151400000000 ] - [ 0.0004587200000000, -0.0005877500000000, -0.0006955600000000 ] - [ 0.0005348300000000, 0.0003796800000000, -0.0005866000000000 ] - [ -0.0036310800000000, -0.0014851300000000, 0.0012719000000000 ] - [ 0.0005785300000000, -0.0002449000000000, 0.0001626000000000 ] - [ -0.0002415600000000, 0.0000904400000000, 0.0001391000000000 ] - [ 0.0000334300000000, 0.0002160900000000, 0.0002033900000000 ] - [ -0.0001485000000000, -0.0009980500000000, -0.0003187600000000 ] - [ -0.0006621200000000, 0.0011491600000000, 0.0012936900000000 ] - [ 0.0012573700000000, 0.0002058900000000, 0.0002230500000000 ] - [ 0.0014324100000000, -0.0011355300000000, 0.0059169800000000 ] - [ 0.0001580000000000, 0.0001785700000000, -0.0001522100000000 ] - [ 0.0002842200000000, -0.0002086400000000, -0.0000826700000000 ] - [ -0.0001971700000000, 0.0003278900000000, 0.0003007200000000 ] - [ -0.0006151200000000, -0.0000099700000000, 0.0001906500000000 ] - [ -0.0000014900000000, 0.0002551200000000, 0.0000901200000000 ] - [ 0.0002617500000000, 0.0002020300000000, 0.0001775900000000 ] - [ -0.0002778300000000, -0.0000897700000000, -0.0004507200000000 ] - [ -0.0001328800000000, 0.0003662500000000, -0.0004364900000000 ] - [ 0.0002366600000000, -0.0000824200000000, -0.0002602300000000 ] - [ 0.0004700300000000, -0.0001064100000000, -0.0002138200000000 ] - [ 0.0001015000000000, -0.0002356900000000, -0.0000142700000000 ] - [ 0.0000697100000000, -0.0004663000000000, 0.0000055800000000 ] - [ -0.0042691600000000, 0.0020077600000000, -0.0001296600000000 ] - [ 0.0003882400000000, -0.0002215600000000, 0.0001212900000000 ] - [ 0.0011152500000000, -0.0046609100000000, -0.0033372800000000 ] - [ 0.0002628000000000, -0.0000143200000000, 0.0005693100000000 ] - [ -0.0003544400000000, -0.0014947700000000, 0.0002550300000000 ] - [ 0.0005322500000000, 0.0003467500000000, -0.0000185500000000 ] - [ 0.0002337700000000, -0.0005113200000000, 0.0002642200000000 ] - [ 0.0006059900000000, -0.0006932500000000, 0.0004202900000000 ] - [ 0.0005920100000000, -0.0000438700000000, 0.0000117200000000 ] - [ -0.0001222700000000, 0.0023633600000000, -0.0014909400000000 ] - [ 0.0014231700000000, 0.0004668700000000, 0.0001261700000000 ] - [ 0.0043970800000000, -0.0009249500000000, -0.0051845900000000 ] - [ -0.0007953900000000, 0.0000849500000000, 0.0000109000000000 ] - [ -0.0005146700000000, 0.0002502400000000, 0.0000988800000000 ] - [ -0.0019199800000000, -0.0016120100000000, -0.0001204100000000 ] - [ 0.0004134400000000, 0.0001657100000000, 0.0001220100000000 ] - [ 0.0008586200000000, 0.0008582600000000, 0.0008088600000000 ] - [ 0.0012221600000000, -0.0005328400000000, -0.0000536300000000 ] - [ -0.0008811500000000, 0.0000784600000000, 0.0008489000000000 ] - [ -0.0000121100000000, -0.0002624900000000, 0.0007109000000000 ] - [ 0.0000721500000000, 0.0005701300000000, 0.0000750400000000 ] - [ 0.0001872600000000, -0.0001320600000000, 0.0000864600000000 ] - [ -0.0002669200000000, 0.0004781500000000, 0.0001125700000000 ] - [ 0.0003540400000000, 0.0005373500000000, 0.0002130400000000 ] - [ -0.0010511000000000, 0.0002201600000000, -0.0008173700000000 ] - [ 0.0011921900000000, -0.0000030400000000, 0.0000532300000000 ] - [ -0.0006472200000000, 0.0003694900000000, -0.0013305000000000 ] - [ 0.0005937400000000, -0.0003653100000000, -0.0003925900000000 ] - [ -0.0001562300000000, -0.0002743700000000, 0.0001094600000000 ] - [ 0.0004240400000000, -0.0001757200000000, 0.0001357300000000 ] - [ -0.0013648300000000, 0.0008671000000000, -0.0012560500000000 ] - [ 0.0007521900000000, 0.0004837500000000, 0.0004516900000000 ] - [ 0.0006716900000000, -0.0001758600000000, -0.0002610100000000 ] - [ 0.0007503400000000, -0.0003988400000000, -0.0002738300000000 ] - [ -0.0000830800000000, -0.0002558200000000, -0.0002626500000000 ] - [ 0.0004399600000000, -0.0001613400000000, -0.0000132300000000 ] - [ -0.0001907100000000, -0.0008808600000000, 0.0003513100000000 ] - [ -0.0003411900000000, 0.0000410000000000, 0.0002294600000000 ] - [ -0.0000039000000000, -0.0000865700000000, -0.0004899500000000 ] - [ 0.0006273200000000, -0.0005895700000000, -0.0001451000000000 ] - [ 0.0001074400000000, -0.0006182200000000, -0.0003480500000000 ] - [ -0.0000659500000000, -0.0005708900000000, -0.0004006700000000 ] - [ -0.0005050600000000, 0.0007421900000000, -0.0004085100000000 ] - [ 0.0005353500000000, 0.0006020300000000, 0.0004420500000000 ] - [ 0.0067802200000000, -0.0014448500000000, 0.0039998200000000 ] - [ 0.0011857400000000, 0.0004074500000000, -0.0002345200000000 ] - [ -0.0001249000000000, 0.0001731100000000, 0.0002174100000000 ] - [ 0.0002647100000000, 0.0001552900000000, 0.0003011800000000 ] - [ 0.0000527200000000, 0.0005389300000000, -0.0001952500000000 ] - [ -0.0000821600000000, 0.0005948500000000, -0.0002229200000000 ] - [ 0.0002206300000000, 0.0001152700000000, 0.0002093900000000 ] - [ -0.0008351900000000, -0.0010504000000000, 0.0002961500000000 ] - [ 0.0005927000000000, 0.0001236200000000, 0.0000312000000000 ] - [ 0.0002150200000000, -0.0003036700000000, -0.0000712300000000 ] - [ -0.0003223500000000, -0.0000372900000000, 0.0001646800000000 ] - [ 0.0005847400000000, 0.0000335600000000, 0.0007794000000000 ] - [ 0.0000624600000000, -0.0001626300000000, 0.0006518600000000 ] - [ 0.0001996100000000, 0.0002610400000000, 0.0007158800000000 ] - [ 0.0014222000000000, 0.0005294300000000, -0.0007913100000000 ] - [ 0.0017609600000000, -0.0011824800000000, 0.0004519500000000 ] - [ 0.0002687900000000, 0.0004948000000000, -0.0002092500000000 ] - [ -0.0004147800000000, 0.0009099600000000, -0.0003507100000000 ] - [ 0.0022486900000000, 0.0071176800000000, 0.0014606000000000 ] - [ 0.0010349900000000, -0.0002597100000000, 0.0005735800000000 ]- atom: 55 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0000880900000000, 0.0000856600000000, -0.0001520000000000 ] - [ -0.0005070200000000, 0.0006688100000000, -0.0003546300000000 ] - [ -0.0002862500000000, 0.0003501100000000, -0.0002612700000000 ] - [ 0.0004674700000000, 0.0004297000000000, -0.0000280200000000 ] - [ 0.0002507600000000, 0.0005071200000000, -0.0000416400000000 ] - [ -0.0001568500000000, 0.0010523700000000, -0.0001027400000000 ] - [ -0.0020312000000000, 0.0003036700000000, -0.0003426100000000 ] - [ 0.0008172800000000, 0.0003090700000000, 0.0006112100000000 ] - [ -0.0001467500000000, 0.0007371300000000, 0.0007313900000000 ] - [ -0.0007418700000000, -0.0008296200000000, 0.0001328700000000 ] - [ -0.0011644900000000, -0.0009852400000000, -0.0006748000000000 ] - [ 0.0014269100000000, 0.0002380200000000, -0.0001124800000000 ] - [ -0.0066770200000000, 0.0006781700000000, -0.0006082500000000 ] - [ 0.0015408300000000, 0.0007651500000000, 0.0004959300000000 ] - [ 0.0007993400000000, 0.0008601500000000, -0.0004078500000000 ] - [ -0.0000291000000000, -0.0007860200000000, -0.0002287000000000 ] - [ 0.0022760300000000, -0.0002728700000000, 0.0000021000000000 ] - [ -0.0074041900000000, 0.0012098100000000, 0.0000546700000000 ] - [ 0.0015607100000000, -0.0003254800000000, 0.0013950700000000 ] - [ -0.0007459000000000, 0.0019530700000000, -0.0006995100000000 ] - [ -0.0063368800000000, -0.0012266900000000, 0.0004848700000000 ] - [ 0.0016245000000000, 0.0003697400000000, 0.0006265900000000 ] - [ -0.0002381300000000, 0.0005771100000000, 0.0001621900000000 ] - [ 0.0005592000000000, 0.0005370600000000, 0.0003516300000000 ] - [ 0.0001241700000000, -0.0006240000000000, -0.0001198800000000 ] - [ 0.0001707500000000, 0.0012940700000000, 0.0001754100000000 ] - [ 0.0002005600000000, -0.0004550500000000, 0.0000622500000000 ] - [ 0.0007936900000000, -0.0002469000000000, 0.0002778600000000 ] - [ 0.0000714400000000, -0.0016778000000000, 0.0002944300000000 ] - [ 0.0000637300000000, 0.0004393500000000, 0.0000717000000000 ] - [ -0.0014647400000000, 0.0009074400000000, -0.0001793900000000 ] - [ 0.0010274200000000, -0.0009932000000000, 0.0000284300000000 ] - [ -0.0004714900000000, -0.0009880300000000, -0.0017919300000000 ] - [ 0.0021548300000000, -0.0004273100000000, 0.0009929200000000 ] - [ -0.0008322500000000, 0.0001864200000000, 0.0005530200000000 ] - [ -0.0008132200000000, -0.0002454000000000, 0.0005282600000000 ] - [ -0.0000417900000000, 0.0003421700000000, -0.0004699200000000 ] - [ 0.0008224100000000, -0.0019609800000000, 0.0011431500000000 ] - [ -0.0000207800000000, -0.0004683000000000, -0.0001245500000000 ] - [ 0.0006023400000000, -0.0002287600000000, -0.0000107100000000 ] - [ -0.0186206900000000, 0.0110361100000000, -0.0038290500000000 ] - [ 0.0025333100000000, 0.0002019900000000, -0.0003380000000000 ] - [ -0.0003565800000000, 0.0003400400000000, -0.0002312600000000 ] - [ 0.0007333700000000, -0.0002295900000000, 0.0002551900000000 ] - [ 0.0031786700000000, 0.0020796300000000, 0.0013748100000000 ] - [ 0.0020346500000000, -0.0020751900000000, -0.0002460200000000 ] - [ -0.0006932900000000, -0.0005109600000000, -0.0003640700000000 ] - [ -0.0006788200000000, -0.0008356300000000, -0.0003438700000000 ] - [ -0.0003762200000000, 0.0000035300000000, -0.0000177400000000 ] - [ -0.0007241900000000, 0.0000411500000000, -0.0001371400000000 ] - [ 0.0000415700000000, 0.0005641600000000, 0.0005603600000000 ] - [ -0.0007137100000000, -0.0002501200000000, -0.0001214400000000 ] - [ -0.0001460400000000, 0.0003470700000000, -0.0000825200000000 ] - [ 0.0004185600000000, -0.0001364100000000, 0.0000846800000000 ] - [ 0.0450127400000000, -0.0129959500000000, 0.0066007200000000 ] - [ -0.0008792300000000, -0.0005893500000000, 0.0001982700000000 ] - [ -0.0008726800000000, -0.0008892400000000, -0.0003257000000000 ] - [ -0.0002827400000000, 0.0008560900000000, 0.0000658000000000 ] - [ 0.0001700100000000, 0.0003320400000000, -0.0005818000000000 ] - [ 0.0000924400000000, -0.0006293100000000, -0.0006914000000000 ] - [ 0.0035096500000000, 0.0007341600000000, -0.0011984300000000 ] - [ -0.0007028300000000, -0.0004514700000000, -0.0001601700000000 ] - [ 0.0000363900000000, 0.0002066800000000, 0.0001989200000000 ] - [ -0.0002388700000000, 0.0000817600000000, 0.0001345500000000 ] - [ -0.0007029900000000, -0.0002703900000000, -0.0004019000000000 ] - [ -0.0002023700000000, -0.0024034600000000, -0.0019950900000000 ] - [ -0.0001340900000000, -0.0001410500000000, -0.0000586800000000 ] - [ -0.0003307500000000, 0.0011919300000000, -0.0057016200000000 ] - [ 0.0001829200000000, -0.0002079700000000, -0.0001035100000000 ] - [ 0.0000508000000000, 0.0001757400000000, -0.0001751000000000 ] - [ -0.0005842800000000, 0.0000227000000000, 0.0001703000000000 ] - [ -0.0001703900000000, 0.0003614400000000, 0.0002791800000000 ] - [ 0.0002683300000000, 0.0001684700000000, 0.0001788000000000 ] - [ 0.0000037400000000, 0.0002213500000000, 0.0000906100000000 ] - [ -0.0001970400000000, 0.0003820800000000, -0.0004520200000000 ] - [ -0.0003439700000000, -0.0000714400000000, -0.0004670600000000 ] - [ 0.0004618300000000, -0.0001272000000000, -0.0002138900000000 ] - [ 0.0002268600000000, -0.0001033800000000, -0.0002607100000000 ] - [ 0.0000294100000000, -0.0004603000000000, 0.0000127700000000 ] - [ 0.0000584800000000, -0.0002292000000000, -0.0000076900000000 ] - [ 0.0034649700000000, -0.0022108500000000, 0.0001446500000000 ] - [ -0.0011552400000000, 0.0000814200000000, -0.0000983700000000 ] - [ -0.0025190100000000, 0.0040971300000000, 0.0039241500000000 ] - [ -0.0016538800000000, -0.0005783800000000, -0.0000033500000000 ] - [ 0.0002939500000000, 0.0016476100000000, -0.0003634600000000 ] - [ -0.0005963000000000, -0.0001898700000000, -0.0000893900000000 ] - [ 0.0006229300000000, -0.0007530700000000, 0.0004572500000000 ] - [ 0.0002508900000000, -0.0005759800000000, 0.0003013400000000 ] - [ -0.0008026000000000, 0.0011360900000000, -0.0003260000000000 ] - [ -0.0000950400000000, -0.0012585600000000, 0.0011590300000000 ] - [ -0.0015851700000000, -0.0001609000000000, -0.0006486000000000 ] - [ -0.0044961400000000, 0.0012147100000000, 0.0045795600000000 ] - [ -0.0005324000000000, 0.0002644400000000, 0.0001027800000000 ] - [ -0.0008133400000000, 0.0001010800000000, 0.0000147700000000 ] - [ 0.0016750200000000, 0.0020070300000000, 0.0001395400000000 ] - [ -0.0006423700000000, 0.0002069000000000, -0.0001003700000000 ] - [ 0.0004780200000000, -0.0005119000000000, -0.0009238500000000 ] - [ 0.0001081900000000, 0.0008754000000000, -0.0000627200000000 ] - [ 0.0002622300000000, -0.0003288100000000, 0.0004296300000000 ] - [ -0.0006130900000000, 0.0000044300000000, 0.0005672200000000 ] - [ 0.0000002400000000, -0.0004156500000000, 0.0000337100000000 ] - [ -0.0001200800000000, 0.0002833000000000, 0.0000211300000000 ] - [ 0.0004791400000000, 0.0006164000000000, 0.0002021800000000 ] - [ -0.0001401200000000, 0.0005520000000000, 0.0001018100000000 ] - [ 0.0018281200000000, 0.0001262500000000, 0.0003469500000000 ] - [ -0.0004031000000000, 0.0003537700000000, -0.0005228500000000 ] - [ 0.0004585800000000, -0.0003024500000000, -0.0000153900000000 ] - [ -0.0007926400000000, 0.0004274100000000, -0.0009565600000000 ] - [ 0.0005486900000000, -0.0001631800000000, 0.0001372700000000 ] - [ -0.0000312500000000, -0.0002569400000000, 0.0001114600000000 ] - [ 0.0013972400000000, 0.0002203000000000, 0.0016761600000000 ] - [ -0.0007117500000000, 0.0006117400000000, -0.0000299600000000 ] - [ 0.0007321900000000, -0.0004176700000000, -0.0003015600000000 ] - [ 0.0006509500000000, -0.0001951500000000, -0.0002894100000000 ] - [ 0.0004770000000000, -0.0001458200000000, 0.0000342600000000 ] - [ -0.0000431900000000, -0.0002370900000000, -0.0002149100000000 ] - [ -0.0005125400000000, -0.0001569800000000, 0.0000869700000000 ] - [ -0.0003656100000000, -0.0010739200000000, 0.0002084600000000 ] - [ 0.0007164300000000, -0.0009400800000000, 0.0000549900000000 ] - [ 0.0000810700000000, -0.0004500800000000, -0.0002926100000000 ] - [ -0.0000740400000000, -0.0006033300000000, -0.0004018500000000 ] - [ 0.0000973000000000, -0.0006496700000000, -0.0003497900000000 ] - [ 0.0005349400000000, 0.0004978300000000, 0.0009605800000000 ] - [ -0.0004907700000000, 0.0006200400000000, 0.0001169600000000 ] - [ -0.0071270400000000, 0.0018979200000000, -0.0043286400000000 ] - [ -0.0014405500000000, 0.0000134500000000, -0.0000383200000000 ] - [ 0.0002858800000000, 0.0001370900000000, 0.0003052500000000 ] - [ -0.0001021700000000, 0.0001543000000000, 0.0002218600000000 ] - [ -0.0000868500000000, 0.0005599900000000, -0.0002248600000000 ] - [ 0.0000462800000000, 0.0005049400000000, -0.0001975600000000 ] - [ -0.0006111100000000, -0.0005166600000000, 0.0000207000000000 ] - [ 0.0004299600000000, 0.0006464500000000, -0.0000694000000000 ] - [ 0.0001818400000000, -0.0002642600000000, -0.0000523000000000 ] - [ 0.0005560600000000, 0.0001633800000000, 0.0000492000000000 ] - [ -0.0003654700000000, -0.0001738200000000, 0.0003133200000000 ] - [ -0.0012799700000000, -0.0002470100000000, -0.0003015000000000 ] - [ 0.0001420300000000, 0.0002288900000000, 0.0007000300000000 ] - [ 0.0000029600000000, -0.0001919400000000, 0.0006359500000000 ] - [ -0.0012160300000000, -0.0002379400000000, 0.0004587300000000 ] - [ -0.0015426000000000, 0.0014624300000000, -0.0007830800000000 ] - [ -0.0003065000000000, 0.0007295400000000, -0.0003486100000000 ] - [ 0.0003715300000000, 0.0003163400000000, -0.0002086700000000 ] - [ -0.0017766000000000, -0.0068981400000000, -0.0005676100000000 ] - [ -0.0005545800000000, 0.0005458700000000, 0.0003295300000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000959400000000, -0.0006190300000000, -0.0001398800000000 ] - [ -0.0004697700000000, -0.0010833800000000, -0.0003202200000000 ] - [ 0.0000890100000000, -0.0015344500000000, -0.0002039600000000 ] - [ 0.0000459600000000, -0.0004018800000000, -0.0001453700000000 ] - [ 0.0003475000000000, -0.0003566200000000, -0.0000308200000000 ] - [ -0.0002213300000000, -0.0007641600000000, -0.0001526700000000 ] - [ -0.0011149800000000, -0.0026783400000000, 0.0023880100000000 ] - [ -0.0001318600000000, 0.0002340400000000, 0.0003526900000000 ] - [ -0.0015090100000000, -0.0004057000000000, -0.0001196100000000 ] - [ 0.0008390500000000, -0.0008613400000000, 0.0008211200000000 ] - [ 0.0015093900000000, -0.0031469000000000, -0.0020704200000000 ] - [ 0.0003746000000000, -0.0001897800000000, -0.0003758400000000 ] - [ 0.0000994600000000, 0.0093006000000000, 0.0013313400000000 ] - [ 0.0000525200000000, 0.0016260700000000, 0.0000941300000000 ] - [ -0.0006251400000000, -0.0001080300000000, -0.0004022800000000 ] - [ 0.0021183700000000, -0.0016727700000000, 0.0001345100000000 ] - [ 0.0006100700000000, 0.0017182100000000, 0.0001501400000000 ] - [ -0.0008582300000000, 0.0086758000000000, -0.0000703100000000 ] - [ 0.0005381500000000, 0.0015984100000000, 0.0002590500000000 ] - [ -0.0008750900000000, 0.0030549600000000, -0.0005156300000000 ] - [ 0.0015211200000000, 0.0116734200000000, -0.0040210100000000 ] - [ 0.0001693000000000, 0.0011198200000000, 0.0002419400000000 ] - [ 0.0001094600000000, -0.0014443500000000, 0.0003279600000000 ] - [ 0.0001528000000000, -0.0001863200000000, 0.0002542000000000 ] - [ 0.0007999200000000, -0.0005125400000000, 0.0000705000000000 ] - [ -0.0009664600000000, -0.0006575100000000, -0.0005512000000000 ] - [ 0.0006586000000000, -0.0017484700000000, 0.0001368000000000 ] - [ 0.0003911500000000, -0.0010096400000000, 0.0001290300000000 ] - [ 0.0009783400000000, -0.0016117400000000, 0.0004932000000000 ] - [ -0.0013121000000000, -0.0013949900000000, 0.0001056000000000 ] - [ -0.0007918200000000, -0.0040841200000000, -0.0006591100000000 ] - [ 0.0006549300000000, -0.0006625900000000, -0.0000311600000000 ] - [ 0.0007665400000000, 0.0019837000000000, 0.0005604100000000 ] - [ 0.0005128000000000, -0.0000282000000000, 0.0001528900000000 ] - [ -0.0011755900000000, -0.0011831300000000, 0.0004464000000000 ] - [ -0.0005964600000000, -0.0010194400000000, 0.0005766300000000 ] - [ -0.0016364700000000, 0.0015028900000000, -0.0004601700000000 ] - [ 0.0006635600000000, 0.0012348900000000, 0.0001438700000000 ] - [ 0.0004689700000000, -0.0020011400000000, 0.0000329800000000 ] - [ 0.0001766200000000, -0.0009972700000000, -0.0000784100000000 ] - [ -0.0115092600000000, 0.0275880700000000, -0.0047495800000000 ] - [ 0.0005727400000000, 0.0005345900000000, -0.0004602400000000 ] - [ -0.0008809200000000, -0.0016822300000000, 0.0000455200000000 ] - [ 0.0004522300000000, 0.0000291400000000, 0.0001529700000000 ] - [ -0.0027193400000000, 0.0027198300000000, -0.0008002000000000 ] - [ 0.0006872400000000, 0.0011186300000000, 0.0003496200000000 ] - [ -0.0009537800000000, -0.0016904700000000, -0.0004587400000000 ] - [ -0.0004381800000000, -0.0016832800000000, -0.0002715800000000 ] - [ -0.0006126700000000, 0.0008773000000000, -0.0001103700000000 ] - [ -0.0006248600000000, 0.0004108700000000, -0.0001042200000000 ] - [ -0.0008099500000000, 0.0005751300000000, -0.0001197400000000 ] - [ 0.0001271500000000, -0.0000590200000000, 0.0002640400000000 ] - [ -0.0000826900000000, 0.0004789000000000, -0.0000590600000000 ] - [ 0.0006607400000000, 0.0009997800000000, 0.0000617500000000 ] - [ 0.0123998500000000, -0.0750309500000000, 0.0141911100000000 ] - [ -0.0000380300000000, -0.0010886200000000, 0.0003822600000000 ] - [ 0.0006193900000000, -0.0002049300000000, 0.0000708900000000 ] - [ -0.0011660300000000, -0.0003713000000000, -0.0001135300000000 ] - [ -0.0003038500000000, 0.0003823400000000, -0.0006580100000000 ] - [ 0.0006966800000000, 0.0002125300000000, -0.0005401200000000 ] - [ -0.0003674000000000, 0.0023702500000000, -0.0100875500000000 ] - [ -0.0000371300000000, -0.0006718800000000, 0.0000007100000000 ] - [ -0.0000293600000000, 0.0009049900000000, 0.0001491600000000 ] - [ -0.0000287600000000, 0.0004949400000000, 0.0001937800000000 ] - [ -0.0008398500000000, -0.0009628500000000, -0.0004471300000000 ] - [ 0.0001667400000000, -0.0005576500000000, 0.0009043900000000 ] - [ 0.0005755400000000, -0.0006512100000000, 0.0000501800000000 ] - [ -0.0006516600000000, -0.0035682000000000, -0.0006251900000000 ] - [ 0.0007218600000000, 0.0005578500000000, 0.0000187600000000 ] - [ -0.0002102400000000, 0.0002599500000000, -0.0003083800000000 ] - [ -0.0001595300000000, 0.0005129800000000, 0.0003200700000000 ] - [ -0.0005712200000000, 0.0008909900000000, 0.0001244700000000 ] - [ 0.0001268500000000, 0.0009526100000000, 0.0001567400000000 ] - [ 0.0000444400000000, 0.0006170600000000, 0.0001221200000000 ] - [ -0.0004635300000000, 0.0007708200000000, -0.0005421000000000 ] - [ -0.0000015700000000, 0.0005694700000000, -0.0004004900000000 ] - [ 0.0003560300000000, 0.0005811800000000, -0.0002592300000000 ] - [ 0.0002710400000000, 0.0003131600000000, -0.0002751200000000 ] - [ 0.0001805000000000, 0.0001590100000000, 0.0000020600000000 ] - [ -0.0001078100000000, 0.0003707900000000, -0.0000399300000000 ] - [ 0.0020474100000000, 0.0139562900000000, 0.0008907000000000 ] - [ -0.0003868200000000, -0.0002359900000000, -0.0000099100000000 ] - [ -0.0044368300000000, 0.0010308400000000, 0.0035051300000000 ] - [ -0.0003926000000000, -0.0005399600000000, 0.0003693200000000 ] - [ -0.0016583300000000, 0.0016721500000000, -0.0007561500000000 ] - [ 0.0003056500000000, -0.0000099900000000, -0.0000290400000000 ] - [ 0.0003796500000000, 0.0004194800000000, 0.0002572700000000 ] - [ 0.0003689500000000, -0.0003745500000000, 0.0003390700000000 ] - [ -0.0006299300000000, 0.0003219600000000, -0.0002714300000000 ] - [ 0.0010904500000000, 0.0007080300000000, -0.0008602000000000 ] - [ -0.0002398900000000, -0.0005986900000000, -0.0002700300000000 ] - [ -0.0016444400000000, -0.0028429000000000, -0.0001666700000000 ] - [ -0.0008365900000000, 0.0010622500000000, 0.0000702400000000 ] - [ -0.0006065500000000, 0.0005031000000000, 0.0000702600000000 ] - [ -0.0012468100000000, 0.0060254200000000, 0.0004361200000000 ] - [ 0.0000280000000000, -0.0000060800000000, 0.0000368600000000 ] - [ 0.0014309000000000, -0.0006849500000000, 0.0003900400000000 ] - [ 0.0002566400000000, -0.0004531800000000, -0.0002276800000000 ] - [ 0.0003337700000000, 0.0008149300000000, 0.0013174100000000 ] - [ -0.0005345900000000, -0.0001888500000000, 0.0005742500000000 ] - [ 0.0007239600000000, 0.0009787400000000, 0.0002243500000000 ] - [ -0.0003089100000000, 0.0003245000000000, 0.0000248300000000 ] - [ 0.0000090200000000, 0.0020246300000000, 0.0002024000000000 ] - [ 0.0001350600000000, 0.0007863600000000, 0.0001732900000000 ] - [ 0.0010367200000000, -0.0001856300000000, 0.0000320100000000 ] - [ 0.0003245600000000, 0.0000303400000000, -0.0002390900000000 ] - [ 0.0016490600000000, -0.0002400400000000, -0.0003349500000000 ] - [ -0.0003502900000000, -0.0002661200000000, -0.0007162600000000 ] - [ -0.0000609800000000, 0.0012939100000000, 0.0000235900000000 ] - [ 0.0001957500000000, -0.0000022400000000, 0.0001220800000000 ] - [ 0.0004407600000000, -0.0034077100000000, 0.0001870200000000 ] - [ 0.0000360200000000, 0.0000628100000000, 0.0002062800000000 ] - [ 0.0008261000000000, 0.0002067500000000, -0.0002138200000000 ] - [ 0.0005356400000000, 0.0001543700000000, -0.0003285800000000 ] - [ 0.0002897800000000, 0.0008365500000000, -0.0001196100000000 ] - [ 0.0001779600000000, 0.0000249300000000, -0.0001178400000000 ] - [ -0.0007727200000000, -0.0001884500000000, -0.0000179500000000 ] - [ -0.0000855400000000, -0.0001977100000000, 0.0002824700000000 ] - [ 0.0009846700000000, 0.0011872400000000, -0.0004471900000000 ] - [ 0.0002608200000000, -0.0005603500000000, -0.0002394500000000 ] - [ 0.0000231700000000, -0.0000877900000000, -0.0003568900000000 ] - [ -0.0000229700000000, 0.0001075900000000, -0.0003487500000000 ] - [ -0.0007715000000000, 0.0024211200000000, -0.0008626100000000 ] - [ 0.0001917200000000, 0.0004277900000000, 0.0003320100000000 ] - [ -0.0024669700000000, -0.0023737100000000, -0.0011991300000000 ] - [ -0.0000482500000000, -0.0005657300000000, -0.0002785300000000 ] - [ 0.0000516000000000, 0.0010109200000000, 0.0002549900000000 ] - [ 0.0000147800000000, 0.0005130700000000, 0.0002408900000000 ] - [ 0.0000177300000000, 0.0010762000000000, -0.0002132900000000 ] - [ 0.0000034400000000, 0.0012829500000000, -0.0002364300000000 ] - [ 0.0002048200000000, -0.0003946300000000, 0.0002601000000000 ] - [ -0.0017570900000000, -0.0000856200000000, -0.0005880800000000 ] - [ 0.0006612000000000, 0.0003061300000000, 0.0000371700000000 ] - [ 0.0002002100000000, 0.0006456800000000, 0.0000011500000000 ] - [ -0.0007857800000000, -0.0017643000000000, -0.0000054100000000 ] - [ -0.0003888900000000, -0.0008575900000000, 0.0002946000000000 ] - [ -0.0000717900000000, 0.0005694300000000, 0.0006616500000000 ] - [ 0.0003401200000000, 0.0004492300000000, 0.0007521400000000 ] - [ 0.0007593000000000, -0.0011142100000000, -0.0001210000000000 ] - [ -0.0000954900000000, -0.0015073700000000, -0.0001485000000000 ] - [ -0.0001887800000000, 0.0008749000000000, -0.0003255900000000 ] - [ 0.0004791900000000, 0.0014258600000000, -0.0000027600000000 ] - [ 0.0064296800000000, 0.0049797700000000, 0.0021290200000000 ] - [ 0.0000338500000000, -0.0001714000000000, 0.0003686700000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005020200000000, 0.0012588200000000, -0.0003724500000000 ] - [ 0.0000608500000000, 0.0017231500000000, -0.0001931000000000 ] - [ 0.0001218500000000, 0.0022855500000000, -0.0000588300000000 ] - [ 0.0001654700000000, 0.0011498100000000, -0.0001182400000000 ] - [ -0.0002832600000000, 0.0018122400000000, -0.0001117900000000 ] - [ 0.0002814600000000, 0.0022197000000000, 0.0000089800000000 ] - [ 0.0007046800000000, 0.0032690800000000, -0.0016766600000000 ] - [ -0.0002766600000000, 0.0003577100000000, 0.0003407400000000 ] - [ 0.0004647300000000, 0.0004066500000000, 0.0008233800000000 ] - [ -0.0018934800000000, 0.0008628000000000, -0.0001214400000000 ] - [ -0.0004496300000000, 0.0031481400000000, 0.0013551300000000 ] - [ 0.0006736900000000, 0.0001981200000000, -0.0003264100000000 ] - [ -0.0001327800000000, -0.0080061200000000, -0.0014405000000000 ] - [ -0.0001150900000000, -0.0001766300000000, 0.0000489700000000 ] - [ 0.0010376700000000, 0.0006932300000000, -0.0002912800000000 ] - [ -0.0017221500000000, 0.0022657500000000, -0.0008318400000000 ] - [ -0.0008269400000000, -0.0009678600000000, 0.0001159100000000 ] - [ 0.0008040700000000, -0.0078418100000000, 0.0003694300000000 ] - [ -0.0009203300000000, -0.0005710400000000, -0.0007833600000000 ] - [ 0.0005018100000000, -0.0020201200000000, -0.0000001100000000 ] - [ -0.0012053300000000, -0.0114017800000000, 0.0049659300000000 ] - [ 0.0002387000000000, -0.0004870400000000, 0.0002705300000000 ] - [ 0.0002679000000000, 0.0024708800000000, 0.0001871700000000 ] - [ 0.0002241400000000, 0.0012085500000000, 0.0002620300000000 ] - [ -0.0011004400000000, 0.0005913700000000, -0.0002548500000000 ] - [ 0.0006627800000000, 0.0007347100000000, 0.0003658300000000 ] - [ 0.0003224000000000, 0.0010402300000000, 0.0002098200000000 ] - [ 0.0005878400000000, 0.0003016600000000, 0.0002178800000000 ] - [ -0.0017455600000000, 0.0002220400000000, -0.0002342500000000 ] - [ 0.0005395400000000, 0.0000063400000000, 0.0001531900000000 ] - [ 0.0015786800000000, 0.0027019800000000, 0.0004022300000000 ] - [ 0.0001183000000000, -0.0007335300000000, -0.0002307600000000 ] - [ 0.0006376800000000, -0.0033481600000000, 0.0001565400000000 ] - [ 0.0008945700000000, -0.0013427600000000, 0.0005644200000000 ] - [ -0.0005441200000000, 0.0010256800000000, 0.0006081300000000 ] - [ -0.0011287100000000, 0.0008626800000000, 0.0004757200000000 ] - [ 0.0006620800000000, -0.0022243700000000, 0.0001188500000000 ] - [ -0.0016348300000000, -0.0019606200000000, -0.0004853700000000 ] - [ 0.0001244400000000, 0.0013172300000000, -0.0001724500000000 ] - [ 0.0004143700000000, 0.0003147200000000, -0.0000616600000000 ] - [ 0.0120245600000000, -0.0263368000000000, 0.0032503000000000 ] - [ 0.0011558200000000, -0.0006980500000000, -0.0005985600000000 ] - [ 0.0011895500000000, 0.0017654700000000, 0.0001442900000000 ] - [ -0.0001539100000000, 0.0000437100000000, 0.0000357600000000 ] - [ 0.0021164400000000, -0.0034370700000000, 0.0009489500000000 ] - [ -0.0012755600000000, -0.0018201900000000, -0.0001977400000000 ] - [ -0.0004490200000000, 0.0003206200000000, -0.0002681000000000 ] - [ -0.0009703100000000, 0.0003120000000000, -0.0004555000000000 ] - [ -0.0005055100000000, -0.0008127600000000, -0.0000531900000000 ] - [ -0.0004940000000000, -0.0003472800000000, -0.0000596900000000 ] - [ 0.0004732700000000, -0.0006118400000000, 0.0003767100000000 ] - [ -0.0004622800000000, 0.0000249400000000, -0.0000067900000000 ] - [ 0.0003133700000000, -0.0001074300000000, 0.0000377000000000 ] - [ -0.0004268400000000, -0.0006273100000000, -0.0000832800000000 ] - [ -0.0112807000000000, 0.0728000100000000, -0.0131385800000000 ] - [ 0.0000088800000000, -0.0001336500000000, 0.0003669000000000 ] - [ -0.0010131800000000, -0.0002279300000000, -0.0003196400000000 ] - [ 0.0007793500000000, -0.0000577500000000, -0.0001354100000000 ] - [ 0.0009277600000000, -0.0006402600000000, -0.0006204600000000 ] - [ -0.0000693400000000, -0.0004705100000000, -0.0007378600000000 ] - [ 0.0002271200000000, -0.0030794200000000, 0.0100190700000000 ] - [ -0.0000904100000000, -0.0000267300000000, 0.0000009400000000 ] - [ -0.0001766200000000, -0.0006111100000000, 0.0001878900000000 ] - [ -0.0001763700000000, -0.0002014500000000, 0.0001442400000000 ] - [ -0.0000163500000000, -0.0003086400000000, -0.0002745400000000 ] - [ -0.0010197000000000, -0.0007194700000000, -0.0016274100000000 ] - [ 0.0005441400000000, 0.0007179700000000, 0.0001134700000000 ] - [ 0.0017457000000000, 0.0036495700000000, 0.0007465300000000 ] - [ -0.0003876300000000, -0.0005902000000000, -0.0002762600000000 ] - [ 0.0005480800000000, -0.0002913400000000, 0.0000523800000000 ] - [ -0.0006258200000000, -0.0001625500000000, 0.0001499200000000 ] - [ -0.0002123800000000, -0.0005415100000000, 0.0003468800000000 ] - [ 0.0001371100000000, -0.0005317900000000, 0.0001119400000000 ] - [ 0.0002210000000000, -0.0001964400000000, 0.0001467900000000 ] - [ -0.0000162200000000, -0.0004811800000000, -0.0003612800000000 ] - [ -0.0004754500000000, -0.0002802700000000, -0.0005019800000000 ] - [ 0.0003395800000000, -0.0007934100000000, -0.0002159000000000 ] - [ 0.0004261600000000, -0.0005258000000000, -0.0001998800000000 ] - [ -0.0000532800000000, -0.0008570500000000, -0.0000043300000000 ] - [ 0.0002362200000000, -0.0010697100000000, 0.0000380200000000 ] - [ -0.0027717100000000, -0.0138083900000000, -0.0008477300000000 ] - [ -0.0003828500000000, 0.0000937600000000, 0.0000322700000000 ] - [ 0.0030177800000000, -0.0016382100000000, -0.0029350700000000 ] - [ -0.0010079900000000, -0.0000553700000000, 0.0001940400000000 ] - [ 0.0015837700000000, -0.0015200900000000, 0.0006444600000000 ] - [ -0.0003728300000000, 0.0001616400000000, -0.0000784900000000 ] - [ 0.0004764600000000, -0.0016895500000000, 0.0004647400000000 ] - [ 0.0004874000000000, -0.0008931200000000, 0.0003822100000000 ] - [ 0.0004179600000000, 0.0007637900000000, -0.0000437700000000 ] - [ -0.0013000500000000, 0.0003734600000000, 0.0005459300000000 ] - [ 0.0000831500000000, 0.0009093700000000, -0.0002524900000000 ] - [ 0.0014494100000000, 0.0031627600000000, -0.0003367400000000 ] - [ -0.0004933600000000, -0.0007142700000000, 0.0000435700000000 ] - [ -0.0007217400000000, -0.0001568400000000, 0.0000434700000000 ] - [ 0.0010331300000000, -0.0057491600000000, -0.0004273200000000 ] - [ -0.0002602100000000, 0.0003817900000000, -0.0000169100000000 ] - [ -0.0001021500000000, 0.0010390700000000, -0.0005022600000000 ] - [ 0.0010707500000000, 0.0008067500000000, 0.0001136500000000 ] - [ -0.0009615800000000, -0.0010707500000000, -0.0000427900000000 ] - [ -0.0000899300000000, -0.0000655200000000, 0.0007041500000000 ] - [ -0.0006585100000000, -0.0008278900000000, -0.0001173800000000 ] - [ 0.0003787000000000, -0.0001712100000000, 0.0000827200000000 ] - [ 0.0002031500000000, -0.0009412600000000, 0.0001121100000000 ] - [ 0.0000774900000000, 0.0003042500000000, 0.0001414300000000 ] - [ -0.0002496800000000, 0.0005293000000000, -0.0005007500000000 ] - [ 0.0004626400000000, 0.0003176400000000, -0.0002313100000000 ] - [ -0.0018612300000000, 0.0003082000000000, -0.0010163400000000 ] - [ 0.0001487300000000, 0.0003335400000000, -0.0006338900000000 ] - [ 0.0004509600000000, -0.0017253700000000, 0.0002219800000000 ] - [ 0.0001963000000000, -0.0004352100000000, 0.0001254700000000 ] - [ -0.0004011300000000, 0.0045185000000000, 0.0002315600000000 ] - [ 0.0000011500000000, 0.0010348800000000, 0.0002154200000000 ] - [ 0.0005739300000000, -0.0008012500000000, -0.0003501200000000 ] - [ 0.0008656800000000, -0.0007485400000000, -0.0002348000000000 ] - [ 0.0001059700000000, -0.0012382600000000, -0.0001088700000000 ] - [ 0.0002175700000000, -0.0004286000000000, -0.0001111700000000 ] - [ 0.0000644800000000, -0.0008524600000000, 0.0004548800000000 ] - [ -0.0006207300000000, -0.0008439300000000, 0.0001554500000000 ] - [ -0.0002796600000000, -0.0022293900000000, 0.0000111900000000 ] - [ 0.0004474600000000, -0.0004765200000000, -0.0001983100000000 ] - [ 0.0000072700000000, -0.0011364700000000, -0.0003933100000000 ] - [ 0.0000547900000000, -0.0013317900000000, -0.0004011800000000 ] - [ 0.0008137900000000, -0.0012072700000000, 0.0014402200000000 ] - [ -0.0001504100000000, 0.0007970100000000, 0.0002268200000000 ] - [ 0.0022506100000000, 0.0027793300000000, 0.0009506200000000 ] - [ -0.0002177200000000, 0.0009857000000000, 0.0000077100000000 ] - [ 0.0001105600000000, -0.0007041200000000, 0.0002686500000000 ] - [ 0.0001465800000000, -0.0002066800000000, 0.0002825600000000 ] - [ -0.0000547100000000, 0.0000199900000000, -0.0002079900000000 ] - [ -0.0000392400000000, -0.0001866500000000, -0.0001844400000000 ] - [ -0.0006012300000000, -0.0000046700000000, -0.0000315700000000 ] - [ 0.0013682600000000, -0.0003114000000000, 0.0008204600000000 ] - [ 0.0001098700000000, -0.0004467700000000, -0.0000594000000000 ] - [ 0.0005731800000000, -0.0007874800000000, -0.0000235700000000 ] - [ 0.0000897700000000, 0.0015535000000000, 0.0004819300000000 ] - [ -0.0003115700000000, 0.0006446000000000, 0.0001787900000000 ] - [ 0.0002725400000000, -0.0005054300000000, 0.0006886100000000 ] - [ -0.0001370200000000, -0.0003856800000000, 0.0005987100000000 ] - [ -0.0005499600000000, 0.0014146100000000, -0.0002197600000000 ] - [ 0.0002968800000000, 0.0018063700000000, -0.0001906900000000 ] - [ 0.0001463500000000, 0.0003459500000000, -0.0002338100000000 ] - [ -0.0005179100000000, -0.0002026200000000, -0.0005539000000000 ] - [ -0.0060539300000000, -0.0047549900000000, -0.0012511300000000 ] - [ 0.0004429700000000, 0.0004630600000000, 0.0005337200000000 ]- atom: 55 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0002327600000000, 0.0003804500000000, -0.0002663400000000 ] - [ -0.0001646700000000, 0.0004018400000000, -0.0003263900000000 ] - [ 0.0001369800000000, 0.0004078400000000, -0.0001332000000000 ] - [ 0.0000881700000000, 0.0004012900000000, -0.0001396500000000 ] - [ 0.0000425700000000, 0.0007418100000000, -0.0000694700000000 ] - [ 0.0000213600000000, 0.0008061400000000, -0.0000040700000000 ] - [ 0.0002969300000000, 0.0021589000000000, 0.0006338000000000 ] - [ -0.0002220200000000, 0.0003023000000000, 0.0003358900000000 ] - [ -0.0006993400000000, -0.0001745000000000, 0.0003157500000000 ] - [ -0.0004611600000000, 0.0001461100000000, -0.0002789300000000 ] - [ 0.0003674400000000, -0.0009985700000000, -0.0004778500000000 ] - [ 0.0005206500000000, 0.0000164000000000, -0.0003404300000000 ] - [ -0.0006314500000000, 0.0017019200000000, 0.0058072200000000 ] - [ -0.0001143100000000, 0.0006813700000000, -0.0000236600000000 ] - [ 0.0002849300000000, 0.0003175700000000, -0.0003295400000000 ] - [ 0.0000763700000000, 0.0003613900000000, 0.0002633500000000 ] - [ 0.0002562900000000, 0.0003200800000000, 0.0003163700000000 ] - [ -0.0021451100000000, 0.0001646600000000, 0.0058817500000000 ] - [ -0.0007313200000000, 0.0006446300000000, -0.0005457600000000 ] - [ 0.0004794100000000, 0.0001372500000000, -0.0030879600000000 ] - [ -0.0011647700000000, -0.0044302600000000, 0.0090836600000000 ] - [ 0.0001301900000000, 0.0002759800000000, 0.0002663900000000 ] - [ 0.0001852200000000, 0.0007764800000000, 0.0002624200000000 ] - [ 0.0001664400000000, 0.0005370700000000, 0.0002578200000000 ] - [ -0.0001779100000000, 0.0000503900000000, -0.0003293700000000 ] - [ -0.0002033300000000, -0.0000728800000000, -0.0001180700000000 ] - [ 0.0004972400000000, -0.0002680300000000, 0.0001225800000000 ] - [ 0.0004783000000000, -0.0003243600000000, 0.0001672200000000 ] - [ -0.0005104400000000, -0.0006351900000000, 0.0003107300000000 ] - [ -0.0002264700000000, -0.0005305200000000, 0.0001458800000000 ] - [ 0.0000854000000000, -0.0007275700000000, 0.0010044800000000 ] - [ 0.0004054300000000, -0.0007312200000000, -0.0001412300000000 ] - [ 0.0019339100000000, -0.0011994600000000, -0.0048716700000000 ] - [ 0.0004829500000000, -0.0008195000000000, 0.0003585800000000 ] - [ -0.0008454200000000, -0.0000478400000000, 0.0005731800000000 ] - [ -0.0008710600000000, -0.0000503600000000, 0.0005163900000000 ] - [ -0.0002851700000000, -0.0004499800000000, -0.0010082900000000 ] - [ -0.0023476300000000, 0.0002600600000000, -0.0004547800000000 ] - [ 0.0002812100000000, -0.0002581600000000, -0.0000274900000000 ] - [ 0.0003040100000000, -0.0003048100000000, -0.0000685400000000 ] - [ -0.0002672600000000, -0.0019853500000000, 0.0095347700000000 ] - [ 0.0010205300000000, -0.0000375300000000, -0.0004764400000000 ] - [ 0.0006807900000000, 0.0000042000000000, -0.0010072600000000 ] - [ 0.0000206400000000, 0.0000828300000000, 0.0000540000000000 ] - [ -0.0005585700000000, -0.0006515000000000, 0.0011177900000000 ] - [ 0.0012527700000000, -0.0011401900000000, 0.0005482700000000 ] - [ -0.0006663100000000, -0.0006598800000000, -0.0003952300000000 ] - [ -0.0007474500000000, -0.0005774200000000, -0.0003689600000000 ] - [ -0.0005643000000000, -0.0000190200000000, -0.0000576800000000 ] - [ -0.0005492900000000, 0.0000159800000000, -0.0000781400000000 ] - [ -0.0001413500000000, -0.0003348200000000, 0.0010648100000000 ] - [ -0.0001231500000000, 0.0000244600000000, 0.0001425700000000 ] - [ 0.0001259600000000, 0.0001700300000000, -0.0000325900000000 ] - [ -0.0000224900000000, 0.0000191900000000, -0.0000777000000000 ] - [ 0.0055044200000000, 0.0099962400000000, -0.0448797200000000 ] - [ -0.0000672700000000, -0.0005967200000000, 0.0003604700000000 ] - [ -0.0001876300000000, -0.0001963500000000, -0.0002527600000000 ] - [ -0.0004486300000000, 0.0003158300000000, -0.0001826600000000 ] - [ 0.0002475600000000, -0.0000060000000000, -0.0006636900000000 ] - [ 0.0003184000000000, -0.0001427600000000, -0.0007156400000000 ] - [ 0.0010583900000000, -0.0093956700000000, 0.0101522700000000 ] - [ -0.0000603900000000, -0.0003274000000000, 0.0000757400000000 ] - [ -0.0001087400000000, 0.0001042700000000, 0.0001661300000000 ] - [ -0.0001046300000000, 0.0001330300000000, 0.0001725400000000 ] - [ -0.0004886600000000, -0.0006501200000000, -0.0001904700000000 ] - [ -0.0001189400000000, -0.0004717000000000, -0.0005381200000000 ] - [ 0.0005949200000000, 0.0000752200000000, 0.0002418600000000 ] - [ 0.0059833600000000, -0.0001429400000000, 0.0055673400000000 ] - [ 0.0000635400000000, -0.0000295200000000, -0.0000141300000000 ] - [ 0.0002479600000000, -0.0001193700000000, -0.0001220500000000 ] - [ -0.0003964100000000, 0.0001801000000000, 0.0002555800000000 ] - [ -0.0003466000000000, 0.0000447700000000, 0.0002449300000000 ] - [ 0.0001240800000000, 0.0001790000000000, 0.0001060500000000 ] - [ 0.0001397300000000, 0.0001929900000000, 0.0001343700000000 ] - [ -0.0002209700000000, 0.0001080200000000, -0.0004787600000000 ] - [ -0.0002662400000000, 0.0001106100000000, -0.0004558300000000 ] - [ 0.0003261900000000, -0.0001378500000000, -0.0002206900000000 ] - [ 0.0003653400000000, -0.0001342500000000, -0.0002355400000000 ] - [ 0.0000498800000000, -0.0003646900000000, -0.0000047100000000 ] - [ 0.0000827800000000, -0.0003843000000000, -0.0000246200000000 ] - [ 0.0005219100000000, 0.0008363600000000, -0.0026955600000000 ] - [ -0.0004193800000000, -0.0000516100000000, 0.0000045000000000 ] - [ -0.0038401700000000, 0.0035291500000000, 0.0018600000000000 ] - [ -0.0006956700000000, -0.0002863700000000, 0.0001923900000000 ] - [ 0.0003420600000000, -0.0002115700000000, -0.0007361900000000 ] - [ -0.0001009800000000, 0.0000445000000000, -0.0000552600000000 ] - [ 0.0003734600000000, -0.0006841000000000, 0.0005191600000000 ] - [ 0.0004539300000000, -0.0006520400000000, 0.0003688900000000 ] - [ -0.0000374400000000, 0.0005022000000000, -0.0002551300000000 ] - [ -0.0004966500000000, 0.0003003400000000, -0.0002648100000000 ] - [ 0.0001019700000000, 0.0002268200000000, -0.0003456000000000 ] - [ -0.0060236500000000, 0.0003610700000000, 0.0020364700000000 ] - [ -0.0006726000000000, 0.0001858800000000, 0.0000530600000000 ] - [ -0.0006632800000000, 0.0001589400000000, 0.0000509700000000 ] - [ 0.0002660200000000, 0.0011736400000000, -0.0022974900000000 ] - [ -0.0001271400000000, 0.0001977000000000, 0.0000105600000000 ] - [ 0.0011249500000000, 0.0004105000000000, 0.0001150300000000 ] - [ 0.0005243100000000, 0.0002034800000000, 0.0007417000000000 ] - [ 0.0000566100000000, 0.0006301200000000, 0.0006606100000000 ] - [ -0.0002902100000000, -0.0001292700000000, 0.0006908100000000 ] - [ -0.0000066400000000, 0.0000388200000000, -0.0001173000000000 ] - [ 0.0000294300000000, 0.0001117500000000, 0.0000494600000000 ] - [ 0.0001570300000000, 0.0005526100000000, -0.0000044200000000 ] - [ 0.0001091100000000, 0.0005359500000000, 0.0001576900000000 ] - [ -0.0000510500000000, 0.0002761700000000, 0.0009060700000000 ] - [ 0.0004589500000000, 0.0001534800000000, -0.0002137600000000 ] - [ -0.0007648800000000, 0.0001551000000000, 0.0011865300000000 ] - [ 0.0000975800000000, 0.0000014200000000, -0.0006435000000000 ] - [ 0.0002636000000000, -0.0002900500000000, -0.0001054600000000 ] - [ 0.0001904500000000, -0.0002314400000000, 0.0001196500000000 ] - [ -0.0014799000000000, 0.0006342000000000, 0.0048378900000000 ] - [ 0.0001159200000000, 0.0005661300000000, 0.0002273600000000 ] - [ 0.0007078700000000, -0.0002753400000000, -0.0002811800000000 ] - [ 0.0007113000000000, -0.0003320900000000, -0.0002494700000000 ] - [ 0.0001473900000000, -0.0002818500000000, 0.0000602300000000 ] - [ 0.0002083300000000, -0.0002103500000000, -0.0001119000000000 ] - [ -0.0002917800000000, -0.0005919100000000, 0.0002410000000000 ] - [ -0.0003956500000000, -0.0005267300000000, 0.0003118400000000 ] - [ -0.0002288100000000, -0.0019856800000000, -0.0005618200000000 ] - [ 0.0003832400000000, -0.0005155000000000, -0.0002405500000000 ] - [ 0.0000192800000000, -0.0006279400000000, -0.0003845200000000 ] - [ 0.0000133200000000, -0.0006483600000000, -0.0003775600000000 ] - [ -0.0014770600000000, 0.0010709700000000, 0.0036538500000000 ] - [ 0.0000915800000000, 0.0006184800000000, 0.0002961900000000 ] - [ 0.0016845000000000, -0.0000185400000000, -0.0013211500000000 ] - [ -0.0006451100000000, 0.0000130400000000, -0.0001779800000000 ] - [ 0.0000876600000000, 0.0001094400000000, 0.0002393600000000 ] - [ 0.0000818200000000, 0.0001407200000000, 0.0002608800000000 ] - [ -0.0000209000000000, 0.0005319600000000, -0.0002009100000000 ] - [ -0.0000116900000000, 0.0004958900000000, -0.0002072800000000 ] - [ -0.0002180500000000, -0.0001808100000000, 0.0002261400000000 ] - [ 0.0008667600000000, -0.0010942600000000, 0.0002524300000000 ] - [ 0.0003904600000000, -0.0000648200000000, -0.0000352600000000 ] - [ 0.0003666800000000, -0.0000767600000000, -0.0000033900000000 ] - [ -0.0002367200000000, 0.0000300800000000, 0.0013294100000000 ] - [ 0.0002264400000000, 0.0001881600000000, 0.0004727900000000 ] - [ 0.0001072300000000, -0.0000089800000000, 0.0007093000000000 ] - [ 0.0001046700000000, 0.0000266500000000, 0.0006796400000000 ] - [ -0.0004295400000000, 0.0000860300000000, -0.0002767300000000 ] - [ 0.0003270700000000, 0.0002610600000000, -0.0011276400000000 ] - [ -0.0000224000000000, 0.0006013800000000, -0.0002573300000000 ] - [ 0.0000232900000000, 0.0006592300000000, -0.0002717000000000 ] - [ 0.0005109700000000, -0.0000565900000000, -0.0021781600000000 ] - [ 0.0001611800000000, 0.0001934200000000, 0.0004302800000000 ]- atom: 55 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0001743600000000, 0.0002622000000000, -0.0002475700000000 ] - [ -0.0002420800000000, 0.0002427500000000, -0.0001866500000000 ] - [ 0.0000732700000000, 0.0003488900000000, -0.0001330500000000 ] - [ 0.0001220900000000, 0.0003494700000000, -0.0001251100000000 ] - [ 0.0000195600000000, 0.0007176000000000, -0.0000739900000000 ] - [ 0.0000419600000000, 0.0006562500000000, -0.0001397600000000 ] - [ -0.0007059700000000, -0.0015670400000000, 0.0000382000000000 ] - [ -0.0001868500000000, 0.0002866100000000, 0.0003572900000000 ] - [ -0.0003417100000000, 0.0001787700000000, 0.0003846300000000 ] - [ -0.0005996000000000, -0.0001340400000000, 0.0009755500000000 ] - [ 0.0006707100000000, 0.0010151300000000, -0.0002103800000000 ] - [ 0.0005292500000000, -0.0000095100000000, -0.0003622600000000 ] - [ 0.0006230100000000, -0.0006566900000000, -0.0062427900000000 ] - [ 0.0000493700000000, 0.0007683100000000, 0.0001652000000000 ] - [ 0.0001274200000000, 0.0002692000000000, -0.0003625300000000 ] - [ 0.0003291400000000, 0.0002285800000000, -0.0009570900000000 ] - [ -0.0004700600000000, 0.0004241200000000, -0.0000481600000000 ] - [ 0.0019652600000000, 0.0005725900000000, -0.0056071900000000 ] - [ 0.0003540800000000, 0.0003763200000000, 0.0000187100000000 ] - [ -0.0008659200000000, 0.0008665100000000, 0.0025682800000000 ] - [ 0.0014886300000000, 0.0045745200000000, -0.0081239500000000 ] - [ 0.0002780400000000, 0.0003576700000000, 0.0002457300000000 ] - [ 0.0001909900000000, 0.0002567600000000, 0.0002545600000000 ] - [ 0.0002102500000000, 0.0004889200000000, 0.0002579100000000 ] - [ -0.0001243200000000, 0.0000239300000000, 0.0001423700000000 ] - [ -0.0000949200000000, 0.0001518700000000, -0.0000661000000000 ] - [ 0.0004819500000000, -0.0004345600000000, 0.0002169200000000 ] - [ 0.0005023600000000, -0.0003806100000000, 0.0001722400000000 ] - [ -0.0002668500000000, -0.0007528500000000, -0.0000550000000000 ] - [ -0.0005408600000000, -0.0008574800000000, 0.0001094700000000 ] - [ 0.0006942800000000, -0.0006708500000000, -0.0012633100000000 ] - [ 0.0003676500000000, -0.0006629000000000, -0.0001213000000000 ] - [ -0.0005189600000000, -0.0001967600000000, 0.0055941300000000 ] - [ 0.0009232200000000, -0.0005561900000000, 0.0003590600000000 ] - [ -0.0008763800000000, -0.0001056200000000, 0.0004780100000000 ] - [ -0.0008538400000000, -0.0001025900000000, 0.0005334800000000 ] - [ -0.0006763300000000, -0.0002684300000000, 0.0006765900000000 ] - [ 0.0013602500000000, -0.0009786000000000, 0.0001258100000000 ] - [ 0.0003093300000000, -0.0004174000000000, -0.0001145400000000 ] - [ 0.0002882300000000, -0.0003743800000000, -0.0000731800000000 ] - [ 0.0020183100000000, 0.0017523200000000, -0.0105588000000000 ] - [ 0.0007077800000000, -0.0001304300000000, -0.0005840700000000 ] - [ -0.0003690800000000, 0.0000950600000000, 0.0012015900000000 ] - [ 0.0002768800000000, -0.0000067900000000, 0.0001377700000000 ] - [ -0.0000489200000000, -0.0000535900000000, -0.0009725800000000 ] - [ -0.0018531100000000, 0.0004457000000000, -0.0004108300000000 ] - [ -0.0007375300000000, -0.0007067200000000, -0.0003304900000000 ] - [ -0.0006605000000000, -0.0007894500000000, -0.0003572100000000 ] - [ -0.0005548400000000, 0.0000815000000000, -0.0001053100000000 ] - [ -0.0005704700000000, 0.0000485700000000, -0.0000851700000000 ] - [ -0.0001949100000000, 0.0003052600000000, -0.0008109600000000 ] - [ -0.0002146300000000, -0.0000585300000000, 0.0001123700000000 ] - [ 0.0001070100000000, 0.0002027600000000, 0.0000100500000000 ] - [ 0.0002541000000000, 0.0003517400000000, 0.0000559500000000 ] - [ -0.0057069100000000, -0.0103241200000000, 0.0459170000000000 ] - [ 0.0000365700000000, -0.0006230800000000, 0.0003890700000000 ] - [ -0.0002015900000000, -0.0002356700000000, 0.0000065400000000 ] - [ 0.0000617900000000, -0.0007497600000000, -0.0000591800000000 ] - [ 0.0003811000000000, -0.0002520700000000, -0.0006165900000000 ] - [ 0.0003060800000000, -0.0001167100000000, -0.0005636900000000 ] - [ -0.0012271900000000, 0.0088609900000000, -0.0102733200000000 ] - [ -0.0000691500000000, -0.0003686900000000, -0.0000747600000000 ] - [ -0.0000993000000000, 0.0001902600000000, 0.0001708200000000 ] - [ -0.0001033900000000, 0.0001629400000000, 0.0001640100000000 ] - [ -0.0003668200000000, -0.0006204400000000, -0.0005322500000000 ] - [ -0.0007359100000000, -0.0008027000000000, -0.0001996300000000 ] - [ 0.0005230700000000, -0.0000057800000000, -0.0000807000000000 ] - [ -0.0047838300000000, 0.0002106100000000, -0.0053598800000000 ] - [ 0.0002685000000000, -0.0000081400000000, -0.0002449800000000 ] - [ 0.0000907200000000, 0.0000846100000000, -0.0001356000000000 ] - [ -0.0003885000000000, 0.0001670700000000, 0.0002136000000000 ] - [ -0.0004350000000000, 0.0002998500000000, 0.0002242700000000 ] - [ 0.0001408200000000, 0.0002399200000000, 0.0001601000000000 ] - [ 0.0001257100000000, 0.0002269600000000, 0.0001319400000000 ] - [ -0.0002544200000000, 0.0001818200000000, -0.0004258200000000 ] - [ -0.0002109900000000, 0.0001798400000000, -0.0004490400000000 ] - [ 0.0003698600000000, -0.0000765000000000, -0.0002533900000000 ] - [ 0.0003313300000000, -0.0000789200000000, -0.0002385000000000 ] - [ 0.0000796500000000, -0.0003347200000000, 0.0000015900000000 ] - [ 0.0000477700000000, -0.0003158100000000, 0.0000221600000000 ] - [ -0.0013013300000000, -0.0010653500000000, 0.0027084000000000 ] - [ -0.0003528200000000, -0.0000909300000000, 0.0000168000000000 ] - [ 0.0024242300000000, -0.0040980300000000, -0.0013172100000000 ] - [ -0.0007090300000000, -0.0003101400000000, 0.0003685800000000 ] - [ -0.0004024000000000, 0.0003524500000000, 0.0006344500000000 ] - [ 0.0000311700000000, 0.0001077400000000, -0.0000522900000000 ] - [ 0.0004820900000000, -0.0005946700000000, 0.0002028000000000 ] - [ 0.0004018200000000, -0.0006198000000000, 0.0003518500000000 ] - [ -0.0001717000000000, 0.0005855000000000, -0.0000600200000000 ] - [ 0.0002795100000000, 0.0007842300000000, -0.0000382800000000 ] - [ -0.0002583100000000, 0.0000862300000000, -0.0001757800000000 ] - [ 0.0059369100000000, -0.0000487900000000, -0.0025653600000000 ] - [ -0.0006563000000000, 0.0001609000000000, 0.0000592000000000 ] - [ -0.0006667200000000, 0.0001897400000000, 0.0000614800000000 ] - [ -0.0004978500000000, -0.0007822800000000, 0.0023244400000000 ] - [ -0.0001057200000000, 0.0001785100000000, 0.0000094700000000 ] - [ 0.0001975700000000, -0.0000554200000000, -0.0002234700000000 ] - [ 0.0008106500000000, 0.0001490500000000, -0.0008542000000000 ] - [ -0.0006933000000000, -0.0008971700000000, 0.0006230000000000 ] - [ -0.0003341300000000, -0.0001268100000000, 0.0005872600000000 ] - [ 0.0000721900000000, 0.0001118000000000, 0.0002230500000000 ] - [ 0.0000402300000000, 0.0000385200000000, 0.0000579200000000 ] - [ 0.0000559500000000, 0.0005331100000000, 0.0003173000000000 ] - [ 0.0001026900000000, 0.0005519600000000, 0.0001560000000000 ] - [ 0.0008384700000000, 0.0000805800000000, -0.0013800900000000 ] - [ 0.0003260000000000, 0.0001947400000000, -0.0002581200000000 ] - [ 0.0005447300000000, -0.0000908800000000, -0.0025513300000000 ] - [ -0.0002975000000000, 0.0000676100000000, -0.0007101600000000 ] - [ 0.0001284000000000, -0.0001521700000000, 0.0003523300000000 ] - [ 0.0002001700000000, -0.0002051300000000, 0.0001258300000000 ] - [ 0.0015134300000000, 0.0004815000000000, -0.0044112500000000 ] - [ -0.0000800000000000, 0.0005339800000000, 0.0001919000000000 ] - [ 0.0006932600000000, -0.0003238600000000, -0.0002821400000000 ] - [ 0.0006918800000000, -0.0002671000000000, -0.0003137700000000 ] - [ 0.0002463700000000, -0.0001216600000000, -0.0002898900000000 ] - [ 0.0001851900000000, -0.0001912100000000, -0.0001174100000000 ] - [ -0.0004131100000000, -0.0004478400000000, 0.0001983400000000 ] - [ -0.0003104300000000, -0.0005132700000000, 0.0001253800000000 ] - [ 0.0009269400000000, 0.0009288100000000, 0.0001104600000000 ] - [ 0.0003233100000000, -0.0005218800000000, -0.0001986800000000 ] - [ 0.0000126500000000, -0.0005965100000000, -0.0003672000000000 ] - [ 0.0000192000000000, -0.0005772600000000, -0.0003739300000000 ] - [ 0.0015343600000000, 0.0001271200000000, -0.0030918600000000 ] - [ -0.0000515400000000, 0.0006069100000000, 0.0002610500000000 ] - [ -0.0019103900000000, 0.0004410700000000, 0.0010787800000000 ] - [ 0.0003833200000000, 0.0004138500000000, -0.0000860200000000 ] - [ 0.0000735200000000, 0.0001957100000000, 0.0002819900000000 ] - [ 0.0000788200000000, 0.0001666400000000, 0.0002603600000000 ] - [ -0.0000149900000000, 0.0005638900000000, -0.0002195500000000 ] - [ -0.0000235600000000, 0.0005986500000000, -0.0002130700000000 ] - [ -0.0001792300000000, -0.0002183400000000, 0.0000001100000000 ] - [ -0.0012469100000000, 0.0006938800000000, -0.0000275600000000 ] - [ 0.0003811600000000, -0.0000792400000000, 0.0000131500000000 ] - [ 0.0004073500000000, -0.0000699600000000, -0.0000173800000000 ] - [ -0.0004675900000000, -0.0002348100000000, -0.0008581100000000 ] - [ -0.0009196000000000, -0.0003943500000000, -0.0000026500000000 ] - [ 0.0000952800000000, 0.0000742300000000, 0.0006425100000000 ] - [ 0.0000967200000000, 0.0000380300000000, 0.0006717900000000 ] - [ 0.0006370700000000, 0.0002165200000000, -0.0000698000000000 ] - [ -0.0001257100000000, 0.0000486800000000, 0.0007871000000000 ] - [ -0.0000181600000000, 0.0006210200000000, -0.0003014600000000 ] - [ -0.0000648100000000, 0.0005603300000000, -0.0002885500000000 ] - [ -0.0000158400000000, 0.0003918100000000, 0.0030827300000000 ] - [ 0.0003150400000000, 0.0000999000000000, 0.0004744800000000 ]- atom: 57 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ 0.0001491500000000, 0.0001034400000000, -0.0001812100000000 ] - [ -0.0005020500000000, 0.0003058300000000, -0.0003320500000000 ] - [ -0.0003127700000000, 0.0009488600000000, -0.0000875100000000 ] - [ -0.0000270300000000, -0.0008841300000000, -0.0003862600000000 ] - [ 0.0004048100000000, 0.0004363900000000, 0.0000455500000000 ] - [ -0.0003032200000000, 0.0007011400000000, -0.0001644900000000 ] - [ -0.0003857200000000, -0.0000332500000000, 0.0003219300000000 ] - [ -0.0000766800000000, 0.0004497300000000, 0.0003684500000000 ] - [ 0.0069824400000000, -0.0020074200000000, -0.0043564200000000 ] - [ -0.0018842400000000, 0.0000960400000000, -0.0000593500000000 ] - [ 0.0004672600000000, -0.0002855400000000, -0.0003909200000000 ] - [ 0.0005430300000000, 0.0000618800000000, -0.0003310300000000 ] - [ -0.0023241700000000, -0.0002869600000000, 0.0008610700000000 ] - [ -0.0036322800000000, 0.0045106300000000, -0.0021498600000000 ] - [ 0.0080470000000000, 0.0055246500000000, -0.0054648200000000 ] - [ -0.0012116100000000, 0.0006499200000000, -0.0006883900000000 ] - [ 0.0011582900000000, 0.0007149000000000, 0.0008405600000000 ] - [ -0.0009458400000000, 0.0001823100000000, -0.0000853900000000 ] - [ 0.0013318900000000, 0.0001112600000000, -0.0001022600000000 ] - [ -0.0009233400000000, 0.0004483900000000, -0.0004619600000000 ] - [ -0.0014876800000000, -0.0002984800000000, -0.0014996400000000 ] - [ 0.0001258200000000, 0.0020444100000000, 0.0013484700000000 ] - [ -0.0000946200000000, 0.0011933300000000, -0.0000630600000000 ] - [ 0.0000805400000000, -0.0003590000000000, 0.0004680500000000 ] - [ 0.0001442000000000, -0.0001189300000000, -0.0000148800000000 ] - [ -0.0004231200000000, -0.0000035600000000, -0.0001607900000000 ] - [ 0.0006031900000000, -0.0002872800000000, 0.0002200100000000 ] - [ 0.0003434800000000, -0.0005919900000000, 0.0001076300000000 ] - [ -0.0000426800000000, -0.0008602900000000, 0.0002112600000000 ] - [ -0.0006713000000000, -0.0007369700000000, 0.0000516000000000 ] - [ -0.0035450800000000, 0.0022389700000000, -0.0012260100000000 ] - [ -0.0023317500000000, -0.0020549200000000, -0.0003509600000000 ] - [ 0.0005962300000000, -0.0013177000000000, 0.0003906400000000 ] - [ 0.0004457600000000, -0.0001386800000000, 0.0002004300000000 ] - [ 0.0013012300000000, 0.0010760300000000, 0.0008562900000000 ] - [ -0.0015206900000000, -0.0002647500000000, 0.0003868900000000 ] - [ 0.0008454600000000, -0.0003587000000000, 0.0019915500000000 ] - [ -0.0016426300000000, -0.0001322300000000, -0.0005696500000000 ] - [ 0.0003728900000000, -0.0001712900000000, -0.0000467600000000 ] - [ 0.0001314200000000, -0.0006017600000000, -0.0000901400000000 ] - [ 0.0006906600000000, -0.0010986200000000, -0.0006378200000000 ] - [ 0.0004954900000000, 0.0005164400000000, -0.0005502600000000 ] - [ 0.0000449800000000, 0.0008871700000000, 0.0004564300000000 ] - [ -0.0011881900000000, -0.0007526300000000, -0.0006209800000000 ] - [ 0.0219715700000000, 0.0249853800000000, 0.0015143200000000 ] - [ -0.0016084800000000, -0.0000191400000000, -0.0002055400000000 ] - [ 0.0000445800000000, -0.0007082000000000, 0.0004725600000000 ] - [ -0.0012931400000000, -0.0008140600000000, -0.0005679800000000 ] - [ -0.0004735900000000, -0.0001103300000000, -0.0000500600000000 ] - [ -0.0006506500000000, 0.0003221200000000, -0.0000733500000000 ] - [ -0.0002659900000000, 0.0001932400000000, 0.0000927500000000 ] - [ -0.0000593800000000, -0.0001101200000000, 0.0001733300000000 ] - [ -0.0000165100000000, 0.0002397800000000, -0.0000424500000000 ] - [ 0.0002564900000000, 0.0002443500000000, 0.0000333800000000 ] - [ 0.0006639300000000, 0.0002072000000000, 0.0005630300000000 ] - [ 0.0000703800000000, -0.0015817800000000, 0.0001341500000000 ] - [ -0.0503665400000000, -0.0366938700000000, 0.0146930200000000 ] - [ 0.0004582600000000, -0.0001852700000000, -0.0000704000000000 ] - [ 0.0001642900000000, -0.0000349800000000, -0.0006734400000000 ] - [ 0.0004401400000000, -0.0001252100000000, -0.0006062800000000 ] - [ 0.0000761300000000, 0.0000669700000000, -0.0000486000000000 ] - [ 0.0000252800000000, -0.0007902800000000, 0.0000500700000000 ] - [ -0.0001431100000000, 0.0000586400000000, 0.0001225900000000 ] - [ 0.0000167900000000, 0.0003473300000000, 0.0002135700000000 ] - [ -0.0006358000000000, -0.0006240900000000, -0.0004741800000000 ] - [ -0.0002517200000000, -0.0005613500000000, -0.0002768400000000 ] - [ -0.0004575400000000, -0.0000991600000000, -0.0004948000000000 ] - [ 0.0011762600000000, 0.0002113000000000, 0.0003006000000000 ] - [ -0.0008867700000000, -0.0004049700000000, -0.0011925800000000 ] - [ 0.0007900000000000, 0.0001809600000000, 0.0001244000000000 ] - [ -0.0005313000000000, 0.0001415600000000, -0.0019652900000000 ] - [ 0.0000395900000000, 0.0001155400000000, 0.0004155100000000 ] - [ 0.0000184100000000, -0.0002837800000000, 0.0001541700000000 ] - [ 0.0003645300000000, 0.0004091500000000, 0.0001927100000000 ] - [ -0.0004074900000000, 0.0001615800000000, -0.0005019200000000 ] - [ -0.0000843600000000, 0.0002113700000000, -0.0004062700000000 ] - [ 0.0001370300000000, -0.0001911700000000, -0.0003230300000000 ] - [ 0.0005655200000000, 0.0000441800000000, -0.0001903500000000 ] - [ -0.0009268400000000, 0.0004911300000000, 0.0000131300000000 ] - [ 0.0003557700000000, -0.0003711300000000, 0.0000603200000000 ] - [ -0.0002286200000000, 0.0001580800000000, 0.0000676200000000 ] - [ -0.0005316500000000, -0.0002310700000000, -0.0000533300000000 ] - [ -0.0007235800000000, 0.0000412800000000, 0.0003565900000000 ] - [ -0.0005705100000000, -0.0004963200000000, 0.0003017300000000 ] - [ -0.0001465300000000, 0.0003600700000000, -0.0000788000000000 ] - [ 0.0001031800000000, -0.0000302100000000, -0.0000300700000000 ] - [ 0.0005748000000000, -0.0010752700000000, 0.0003695200000000 ] - [ 0.0005064900000000, -0.0000564000000000, 0.0005226400000000 ] - [ -0.0003965800000000, 0.0005125800000000, -0.0001987300000000 ] - [ 0.0000946100000000, 0.0006167900000000, -0.0001321400000000 ] - [ -0.0020479600000000, -0.0035344000000000, 0.0001952900000000 ] - [ 0.0006328300000000, 0.0003058500000000, -0.0001240100000000 ] - [ -0.0007310200000000, 0.0001445200000000, 0.0000688700000000 ] - [ -0.0005949100000000, 0.0002816700000000, 0.0000663400000000 ] - [ 0.0014063700000000, -0.0002765000000000, 0.0003221600000000 ] - [ 0.0096442300000000, 0.0005666100000000, -0.0044013600000000 ] - [ 0.0030876900000000, 0.0051609400000000, -0.0079355500000000 ] - [ 0.0012723300000000, 0.0000887200000000, 0.0001564700000000 ] - [ 0.0008623800000000, -0.0008629700000000, -0.0004537600000000 ] - [ 0.0007251600000000, 0.0002116200000000, 0.0012120600000000 ] - [ 0.0013078900000000, -0.0070055500000000, 0.0017440300000000 ] - [ 0.0007840500000000, 0.0003518500000000, 0.0001552200000000 ] - [ 0.0007557200000000, -0.0000373700000000, 0.0003000100000000 ] - [ 0.0005975900000000, 0.0017436200000000, 0.0000777000000000 ] - [ 0.0005683000000000, 0.0003346900000000, -0.0001982500000000 ] - [ 0.0001831800000000, 0.0000573700000000, -0.0002639300000000 ] - [ -0.0000125400000000, -0.0000373900000000, -0.0008630300000000 ] - [ 0.0007260600000000, -0.0002374000000000, -0.0003316500000000 ] - [ 0.0001999700000000, -0.0001566100000000, 0.0001315400000000 ] - [ 0.0001981600000000, -0.0001684500000000, 0.0001164400000000 ] - [ 0.0002401800000000, 0.0009943300000000, 0.0002308700000000 ] - [ -0.0000632800000000, -0.0002570800000000, 0.0004451000000000 ] - [ 0.0003121100000000, -0.0008250400000000, -0.0006765900000000 ] - [ 0.0010085200000000, -0.0002182600000000, -0.0001770400000000 ] - [ 0.0002410900000000, -0.0001461700000000, -0.0001094900000000 ] - [ 0.0001626500000000, -0.0001455800000000, -0.0001149400000000 ] - [ -0.0004921700000000, -0.0004304400000000, 0.0001821000000000 ] - [ -0.0002353700000000, -0.0004974600000000, 0.0002489900000000 ] - [ 0.0007132800000000, -0.0010730700000000, 0.0006471900000000 ] - [ 0.0010149700000000, -0.0000597700000000, -0.0004804300000000 ] - [ -0.0003356100000000, -0.0003548700000000, -0.0003987500000000 ] - [ 0.0002441500000000, -0.0006119800000000, -0.0003196600000000 ] - [ 0.0007120000000000, 0.0004032500000000, 0.0004010700000000 ] - [ 0.0010418600000000, 0.0010032800000000, 0.0046596500000000 ] - [ -0.0006134500000000, 0.0016271300000000, -0.0002573600000000 ] - [ 0.0003076300000000, 0.0000336500000000, -0.0000098900000000 ] - [ 0.0002263400000000, 0.0000098100000000, 0.0002951200000000 ] - [ 0.0000006800000000, 0.0004519900000000, 0.0002056600000000 ] - [ -0.0002212500000000, 0.0006494400000000, -0.0003368700000000 ] - [ 0.0001753600000000, 0.0005584900000000, -0.0001558800000000 ] - [ -0.0013390400000000, -0.0007900400000000, -0.0020789000000000 ] - [ 0.0005085100000000, -0.0002668900000000, 0.0004005700000000 ] - [ -0.0013928300000000, 0.0023171400000000, 0.0008126100000000 ] - [ 0.0008373000000000, -0.0001103100000000, 0.0000391200000000 ] - [ -0.0004319000000000, 0.0006452400000000, -0.0000734000000000 ] - [ 0.0000673800000000, -0.0002719300000000, 0.0003552600000000 ] - [ -0.0000499500000000, 0.0000674900000000, 0.0006363700000000 ] - [ 0.0002525800000000, 0.0000919400000000, 0.0007134500000000 ] - [ -0.0021124400000000, 0.0011442600000000, 0.0005497300000000 ] - [ 0.0006237300000000, -0.0000347600000000, -0.0000709900000000 ] - [ -0.0001436900000000, 0.0006722700000000, -0.0003168700000000 ] - [ 0.0001169100000000, 0.0006558100000000, -0.0002457800000000 ] - [ 0.0103374500000000, 0.0039726400000000, 0.0040590500000000 ] - [ 0.0016349900000000, -0.0004143600000000, 0.0006270800000000 ]- atom: 57 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ -0.0005572600000000, 0.0005347000000000, -0.0003317300000000 ] - [ 0.0000946800000000, 0.0003331000000000, -0.0001805400000000 ] - [ 0.0005256700000000, -0.0001993500000000, -0.0001750100000000 ] - [ 0.0002309800000000, 0.0016325200000000, 0.0001222100000000 ] - [ -0.0003426900000000, 0.0010174800000000, -0.0001882300000000 ] - [ 0.0003655300000000, 0.0007543300000000, 0.0000217900000000 ] - [ -0.0000229600000000, 0.0006211300000000, 0.0003720600000000 ] - [ -0.0003352700000000, 0.0001391400000000, 0.0003248200000000 ] - [ -0.0080860300000000, 0.0019880200000000, 0.0050116900000000 ] - [ 0.0008384400000000, -0.0000897900000000, 0.0007625900000000 ] - [ 0.0005824100000000, 0.0002901200000000, -0.0003108200000000 ] - [ 0.0005032100000000, -0.0000573400000000, -0.0003714000000000 ] - [ 0.0022587400000000, 0.0017368300000000, -0.0007089000000000 ] - [ 0.0035735400000000, -0.0030848000000000, 0.0023078600000000 ] - [ -0.0076048200000000, -0.0050120700000000, 0.0048537600000000 ] - [ 0.0016224100000000, -0.0000589000000000, -0.0000055900000000 ] - [ -0.0013774200000000, 0.0000433700000000, -0.0005740100000000 ] - [ 0.0007356800000000, 0.0005627800000000, 0.0003489700000000 ] - [ -0.0017086000000000, 0.0009168900000000, -0.0004187200000000 ] - [ 0.0005478400000000, 0.0005724700000000, -0.0000537700000000 ] - [ 0.0018956200000000, 0.0009349600000000, 0.0020024000000000 ] - [ 0.0002756400000000, -0.0014159900000000, -0.0008502500000000 ] - [ 0.0004738000000000, -0.0001687800000000, 0.0005793700000000 ] - [ 0.0002909200000000, 0.0013830300000000, 0.0000459900000000 ] - [ -0.0004456100000000, 0.0001943800000000, -0.0001706400000000 ] - [ 0.0001192400000000, 0.0000782700000000, -0.0000256200000000 ] - [ 0.0003775700000000, -0.0004218600000000, 0.0001231600000000 ] - [ 0.0006349900000000, -0.0001166000000000, 0.0002350400000000 ] - [ -0.0007283800000000, -0.0005319400000000, 0.0000463900000000 ] - [ -0.0001009800000000, -0.0006567700000000, 0.0002058100000000 ] - [ 0.0043092800000000, -0.0036104600000000, 0.0009580400000000 ] - [ 0.0031198700000000, 0.0006769900000000, 0.0000909900000000 ] - [ 0.0008128000000000, -0.0000530400000000, 0.0003288200000000 ] - [ 0.0009573200000000, -0.0012355900000000, 0.0005160000000000 ] - [ -0.0030205800000000, -0.0012390100000000, 0.0001997800000000 ] - [ -0.0002032500000000, 0.0001106800000000, 0.0006655000000000 ] - [ -0.0018238400000000, -0.0003509000000000, -0.0023179400000000 ] - [ 0.0006654400000000, -0.0005809400000000, 0.0002309200000000 ] - [ 0.0002191200000000, -0.0005121700000000, -0.0000930400000000 ] - [ 0.0004601300000000, -0.0000803200000000, -0.0000508300000000 ] - [ 0.0010406100000000, 0.0009328500000000, -0.0004201300000000 ] - [ 0.0012285200000000, -0.0006844800000000, -0.0005090300000000 ] - [ 0.0002634400000000, -0.0008041800000000, -0.0002589600000000 ] - [ 0.0014874600000000, 0.0008346000000000, 0.0008137500000000 ] - [ -0.0224389500000000, -0.0248386900000000, -0.0013176800000000 ] - [ 0.0010126400000000, -0.0006704200000000, 0.0003551000000000 ] - [ -0.0014468900000000, -0.0006660900000000, -0.0012012700000000 ] - [ -0.0001133100000000, -0.0005545300000000, -0.0001584000000000 ] - [ -0.0006465100000000, 0.0001757400000000, -0.0001130900000000 ] - [ -0.0004678600000000, -0.0002562800000000, -0.0000893100000000 ] - [ -0.0000713600000000, -0.0002261000000000, 0.0001637300000000 ] - [ -0.0002760300000000, 0.0000777600000000, 0.0000838700000000 ] - [ 0.0002487200000000, 0.0001342100000000, 0.0000211700000000 ] - [ -0.0000250100000000, 0.0001298900000000, -0.0000547900000000 ] - [ -0.0006929800000000, -0.0014242600000000, 0.0001870400000000 ] - [ -0.0000974300000000, 0.0003646600000000, 0.0006167400000000 ] - [ 0.0498996400000000, 0.0355046100000000, -0.0151022200000000 ] - [ -0.0008497700000000, -0.0002502100000000, -0.0001769500000000 ] - [ 0.0004609300000000, -0.0002213600000000, -0.0006049900000000 ] - [ 0.0001857600000000, -0.0001306900000000, -0.0006718600000000 ] - [ -0.0002063500000000, -0.0007635700000000, 0.0000497000000000 ] - [ -0.0001517900000000, 0.0000943500000000, -0.0000478900000000 ] - [ -0.0000646200000000, 0.0002374200000000, 0.0002147100000000 ] - [ -0.0002228800000000, -0.0000509100000000, 0.0001242900000000 ] - [ -0.0002197400000000, -0.0006473600000000, -0.0002481700000000 ] - [ -0.0006035300000000, -0.0007071600000000, -0.0004446600000000 ] - [ 0.0015810500000000, 0.0001651500000000, 0.0006568300000000 ] - [ -0.0000569700000000, -0.0001439100000000, -0.0001373700000000 ] - [ 0.0012168100000000, 0.0003752800000000, 0.0009393500000000 ] - [ -0.0004543800000000, -0.0002149400000000, -0.0003816200000000 ] - [ -0.0002488100000000, 0.0002142500000000, 0.0024341200000000 ] - [ -0.0008247200000000, 0.0002327500000000, 0.0000548200000000 ] - [ 0.0002447400000000, 0.0007056900000000, 0.0001131700000000 ] - [ -0.0000989600000000, 0.0000118000000000, 0.0000756800000000 ] - [ -0.0000708800000000, 0.0001297000000000, -0.0004016100000000 ] - [ -0.0003932100000000, 0.0000803100000000, -0.0004969900000000 ] - [ 0.0005574100000000, -0.0000194500000000, -0.0001511200000000 ] - [ 0.0001313900000000, -0.0002561100000000, -0.0002836600000000 ] - [ 0.0010540500000000, -0.0011879600000000, -0.0000164300000000 ] - [ -0.0002276900000000, -0.0003274700000000, -0.0000622200000000 ] - [ -0.0005438500000000, -0.0002983600000000, -0.0000455000000000 ] - [ -0.0002371900000000, 0.0000890800000000, 0.0000760300000000 ] - [ -0.0006801500000000, -0.0006370700000000, 0.0002063500000000 ] - [ -0.0008298000000000, -0.0000981200000000, 0.0002619400000000 ] - [ 0.0000772900000000, -0.0002071200000000, -0.0000286500000000 ] - [ -0.0001707800000000, 0.0001840600000000, -0.0000772800000000 ] - [ 0.0002792200000000, -0.0001950200000000, 0.0003510700000000 ] - [ 0.0003516100000000, -0.0012154900000000, 0.0001993400000000 ] - [ 0.0001837200000000, 0.0005745600000000, -0.0001157700000000 ] - [ -0.0003075100000000, 0.0004737100000000, -0.0001829300000000 ] - [ 0.0019150400000000, 0.0038231800000000, -0.0007129000000000 ] - [ -0.0007945700000000, 0.0000040800000000, -0.0003988700000000 ] - [ -0.0005992300000000, 0.0002045800000000, 0.0000446000000000 ] - [ -0.0007341300000000, 0.0000672400000000, 0.0000473300000000 ] - [ -0.0016330700000000, 0.0006478800000000, -0.0003008500000000 ] - [ -0.0101027600000000, -0.0002012900000000, 0.0045384800000000 ] - [ -0.0017651200000000, -0.0047601700000000, 0.0077581700000000 ] - [ 0.0000560800000000, 0.0002611000000000, -0.0002710300000000 ] - [ -0.0014860500000000, 0.0006021200000000, 0.0017231300000000 ] - [ -0.0013542500000000, -0.0004703400000000, 0.0000616200000000 ] - [ -0.0012372100000000, 0.0070882500000000, -0.0016179700000000 ] - [ -0.0007176800000000, -0.0002020800000000, -0.0000477400000000 ] - [ -0.0005447800000000, 0.0011246800000000, 0.0000145000000000 ] - [ -0.0003801900000000, -0.0006606200000000, 0.0002399300000000 ] - [ 0.0002159400000000, 0.0000152000000000, -0.0002730200000000 ] - [ 0.0006037500000000, 0.0002915100000000, -0.0002063800000000 ] - [ -0.0001949600000000, 0.0001049200000000, -0.0004909200000000 ] - [ -0.0009277700000000, 0.0003039100000000, -0.0010198400000000 ] - [ 0.0001903600000000, -0.0002784100000000, 0.0001152300000000 ] - [ 0.0001933300000000, -0.0002669800000000, 0.0001305800000000 ] - [ -0.0002061800000000, 0.0001052300000000, 0.0001894500000000 ] - [ 0.0001025900000000, 0.0013585300000000, -0.0000228400000000 ] - [ 0.0010858100000000, 0.0002336300000000, 0.0001117700000000 ] - [ 0.0003925700000000, -0.0003778800000000, -0.0003863000000000 ] - [ 0.0001525500000000, -0.0002546900000000, -0.0001194500000000 ] - [ 0.0002323800000000, -0.0002554000000000, -0.0001135500000000 ] - [ -0.0002149700000000, -0.0006083400000000, 0.0002557400000000 ] - [ -0.0004715400000000, -0.0005404600000000, 0.0001889200000000 ] - [ -0.0000091900000000, 0.0000318200000000, -0.0010825000000000 ] - [ -0.0003109500000000, -0.0009828600000000, 0.0000477700000000 ] - [ 0.0003671500000000, -0.0008660800000000, -0.0003517500000000 ] - [ -0.0002133300000000, -0.0006113700000000, -0.0004307900000000 ] - [ -0.0006725200000000, 0.0008198600000000, 0.0001568200000000 ] - [ -0.0009987800000000, 0.0002181800000000, -0.0041452000000000 ] - [ 0.0003440800000000, -0.0012081600000000, -0.0000115200000000 ] - [ -0.0005700800000000, 0.0003900900000000, -0.0002588000000000 ] - [ -0.0000661900000000, 0.0002981300000000, 0.0002275000000000 ] - [ 0.0001611000000000, -0.0001437000000000, 0.0003172500000000 ] - [ 0.0001852600000000, 0.0004498100000000, -0.0000832600000000 ] - [ -0.0002118200000000, 0.0005386200000000, -0.0002645300000000 ] - [ 0.0009515400000000, 0.0003854900000000, 0.0023105700000000 ] - [ -0.0009035500000000, -0.0001343700000000, -0.0001720500000000 ] - [ 0.0021802100000000, -0.0024468400000000, -0.0008332300000000 ] - [ -0.0000658400000000, -0.0000328000000000, -0.0000610800000000 ] - [ -0.0002665700000000, -0.0008577100000000, 0.0005441000000000 ] - [ -0.0007635000000000, 0.0000623600000000, 0.0001183300000000 ] - [ 0.0002511100000000, -0.0000015700000000, 0.0007148400000000 ] - [ -0.0000508300000000, -0.0000259600000000, 0.0006380300000000 ] - [ 0.0023105200000000, -0.0008778400000000, -0.0009163700000000 ] - [ -0.0004176100000000, 0.0003322300000000, -0.0002662300000000 ] - [ 0.0001029200000000, 0.0005508300000000, -0.0002415800000000 ] - [ -0.0001586900000000, 0.0005677600000000, -0.0003129300000000 ] - [ -0.0096817100000000, -0.0035946100000000, -0.0030815700000000 ] - [ -0.0011670000000000, 0.0007096400000000, 0.0002752400000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001290100000000, -0.0015850300000000, -0.0002904400000000 ] - [ -0.0001781400000000, -0.0004131300000000, -0.0002384500000000 ] - [ 0.0009229900000000, 0.0000756600000000, -0.0000460200000000 ] - [ -0.0019094400000000, -0.0016754600000000, -0.0007459700000000 ] - [ 0.0001153900000000, -0.0013318100000000, 0.0000221000000000 ] - [ 0.0000417000000000, 0.0000328800000000, -0.0000820500000000 ] - [ -0.0005264100000000, -0.0007445100000000, 0.0002748100000000 ] - [ 0.0001070600000000, -0.0012098900000000, 0.0004280900000000 ] - [ -0.0030757800000000, 0.0133633800000000, 0.0094354900000000 ] - [ -0.0006841900000000, 0.0009107200000000, 0.0003085600000000 ] - [ 0.0003058500000000, -0.0011898100000000, -0.0004278600000000 ] - [ 0.0007207900000000, -0.0012740400000000, -0.0003103100000000 ] - [ -0.0016448900000000, 0.0018166300000000, 0.0002593000000000 ] - [ 0.0046144900000000, 0.0029931000000000, 0.0014301800000000 ] - [ 0.0063761000000000, 0.0191804400000000, -0.0131953800000000 ] - [ 0.0001390200000000, 0.0012312800000000, -0.0003808000000000 ] - [ 0.0015225500000000, -0.0030544900000000, -0.0014699400000000 ] - [ -0.0003935900000000, 0.0002126600000000, 0.0000426600000000 ] - [ -0.0002297900000000, -0.0021814700000000, 0.0016289500000000 ] - [ -0.0003045200000000, 0.0003173300000000, -0.0002793200000000 ] - [ -0.0008754300000000, 0.0015279000000000, -0.0005768800000000 ] - [ 0.0008558700000000, 0.0028509000000000, 0.0004410000000000 ] - [ 0.0011842500000000, 0.0002424100000000, 0.0007633000000000 ] - [ -0.0013838400000000, -0.0005918700000000, -0.0000071200000000 ] - [ -0.0002274300000000, -0.0014647800000000, -0.0001050800000000 ] - [ -0.0000882000000000, -0.0006109000000000, -0.0000703800000000 ] - [ 0.0008012300000000, -0.0013746400000000, 0.0002488100000000 ] - [ 0.0002077400000000, -0.0012758100000000, 0.0000001200000000 ] - [ -0.0004973900000000, -0.0023186600000000, 0.0000857300000000 ] - [ -0.0003381500000000, -0.0013537800000000, 0.0001338500000000 ] - [ 0.0029133700000000, 0.0033711200000000, 0.0004236200000000 ] - [ -0.0006312300000000, 0.0009471200000000, -0.0003443000000000 ] - [ -0.0001966700000000, -0.0014783500000000, 0.0000644100000000 ] - [ 0.0013465200000000, -0.0011711000000000, 0.0007104100000000 ] - [ 0.0004250900000000, -0.0036756700000000, 0.0005721400000000 ] - [ -0.0011927800000000, -0.0000264900000000, 0.0004531900000000 ] - [ -0.0000421800000000, 0.0020441500000000, -0.0005203700000000 ] - [ -0.0004597700000000, 0.0002305000000000, -0.0001444900000000 ] - [ 0.0006488500000000, -0.0015167400000000, 0.0000189100000000 ] - [ -0.0000516200000000, -0.0013205200000000, -0.0000682300000000 ] - [ -0.0005874400000000, -0.0013138300000000, -0.0009456700000000 ] - [ 0.0016252800000000, -0.0005567100000000, -0.0004941400000000 ] - [ 0.0013860000000000, 0.0021419500000000, 0.0004257400000000 ] - [ -0.0005970600000000, 0.0014525000000000, -0.0001553600000000 ] - [ 0.0245304600000000, 0.0531742000000000, 0.0032234100000000 ] - [ -0.0002816700000000, 0.0002706000000000, 0.0000620800000000 ] - [ 0.0002901200000000, -0.0024605400000000, 0.0001027600000000 ] - [ -0.0009809700000000, -0.0006242400000000, -0.0004582300000000 ] - [ -0.0007812400000000, 0.0003731400000000, -0.0001662300000000 ] - [ -0.0003829200000000, 0.0007583000000000, 0.0000602700000000 ] - [ -0.0000402400000000, 0.0005784600000000, 0.0001672100000000 ] - [ -0.0003557400000000, 0.0003820400000000, 0.0000400900000000 ] - [ 0.0001804900000000, 0.0010801700000000, 0.0000652500000000 ] - [ 0.0002009200000000, 0.0005727700000000, 0.0000344100000000 ] - [ 0.0006562700000000, -0.0006039000000000, 0.0005728400000000 ] - [ -0.0010935100000000, -0.0007719700000000, 0.0006401700000000 ] - [ -0.0372106200000000, -0.1067447900000000, 0.0039262500000000 ] - [ -0.0001639600000000, -0.0006819700000000, -0.0001045400000000 ] - [ 0.0002941800000000, 0.0005707500000000, -0.0006190800000000 ] - [ 0.0002632300000000, 0.0001970700000000, -0.0006483700000000 ] - [ 0.0004521000000000, 0.0000810800000000, 0.0000023700000000 ] - [ -0.0005637100000000, 0.0001173400000000, -0.0001440400000000 ] - [ -0.0002707400000000, 0.0006010500000000, 0.0001647000000000 ] - [ 0.0002159400000000, 0.0007915000000000, 0.0002678000000000 ] - [ -0.0003095700000000, 0.0004834600000000, -0.0002224400000000 ] - [ -0.0003943400000000, -0.0003932000000000, -0.0003315500000000 ] - [ -0.0002906200000000, -0.0003728200000000, 0.0000126800000000 ] - [ 0.0007192500000000, -0.0000791700000000, 0.0001379400000000 ] - [ -0.0016920700000000, -0.0004391200000000, -0.0008608300000000 ] - [ 0.0003992400000000, -0.0003247900000000, -0.0000633100000000 ] - [ 0.0011283500000000, 0.0022494800000000, -0.0007260900000000 ] - [ -0.0005479800000000, -0.0000620100000000, 0.0001734200000000 ] - [ -0.0006102600000000, 0.0012398100000000, -0.0000929700000000 ] - [ 0.0005087700000000, 0.0004671300000000, 0.0002676500000000 ] - [ -0.0002695500000000, 0.0008910100000000, -0.0004428000000000 ] - [ -0.0001356700000000, 0.0005286000000000, -0.0004343700000000 ] - [ -0.0002208600000000, 0.0005499800000000, -0.0004214300000000 ] - [ 0.0006957700000000, 0.0001297300000000, -0.0001959900000000 ] - [ -0.0002924600000000, 0.0014666500000000, -0.0005307100000000 ] - [ 0.0001465700000000, -0.0004092100000000, 0.0000124400000000 ] - [ -0.0001625300000000, 0.0003029300000000, 0.0000813900000000 ] - [ -0.0010010200000000, 0.0006866400000000, -0.0000132300000000 ] - [ -0.0002303200000000, 0.0003482100000000, 0.0005716600000000 ] - [ -0.0009147300000000, -0.0000696500000000, 0.0002355800000000 ] - [ 0.0001409000000000, 0.0008433000000000, -0.0000238300000000 ] - [ -0.0002517900000000, 0.0004612300000000, -0.0000809100000000 ] - [ -0.0000140400000000, -0.0007812100000000, 0.0002226600000000 ] - [ 0.0012279700000000, -0.0009100000000000, 0.0008201800000000 ] - [ -0.0001149900000000, 0.0019278500000000, -0.0002238600000000 ] - [ -0.0000407200000000, 0.0007999400000000, -0.0001577300000000 ] - [ -0.0041194300000000, 0.0106429400000000, -0.0025513400000000 ] - [ 0.0001501800000000, 0.0000490200000000, -0.0002176900000000 ] - [ -0.0008043400000000, 0.0007646700000000, -0.0000065500000000 ] - [ -0.0005801700000000, 0.0006830600000000, 0.0000774200000000 ] - [ 0.0003992100000000, -0.0008004500000000, 0.0000990800000000 ] - [ 0.0002219500000000, -0.0036470500000000, 0.0005743800000000 ] - [ 0.0064290200000000, 0.0010102100000000, -0.0081416000000000 ] - [ 0.0005778900000000, -0.0001994200000000, -0.0000738000000000 ] - [ -0.0013164000000000, -0.0017419900000000, 0.0005405200000000 ] - [ -0.0000647100000000, -0.0008988500000000, 0.0007479700000000 ] - [ -0.0068794200000000, 0.0057673800000000, -0.0021473500000000 ] - [ 0.0003392100000000, -0.0002102300000000, 0.0001189200000000 ] - [ -0.0006856900000000, 0.0003084000000000, 0.0000093400000000 ] - [ 0.0018266100000000, 0.0005940000000000, 0.0004193000000000 ] - [ 0.0005829600000000, 0.0004977300000000, -0.0001891100000000 ] - [ -0.0001011600000000, 0.0008559900000000, -0.0004881900000000 ] - [ 0.0006129000000000, -0.0015669900000000, -0.0004868300000000 ] - [ -0.0000681900000000, -0.0006316800000000, -0.0007870200000000 ] - [ 0.0001358400000000, 0.0003665400000000, 0.0001293700000000 ] - [ 0.0001467800000000, 0.0004680100000000, 0.0001528100000000 ] - [ 0.0004216800000000, 0.0004172000000000, 0.0002984100000000 ] - [ -0.0006704700000000, 0.0003440900000000, -0.0005554600000000 ] - [ -0.0001339000000000, 0.0006905800000000, 0.0000868200000000 ] - [ 0.0008961000000000, -0.0003889500000000, -0.0002166000000000 ] - [ 0.0001767400000000, 0.0003192200000000, -0.0001352500000000 ] - [ 0.0002470100000000, 0.0004894400000000, -0.0001323200000000 ] - [ -0.0003849100000000, 0.0003763000000000, 0.0001789500000000 ] - [ -0.0003861800000000, -0.0001639900000000, 0.0002054500000000 ] - [ -0.0002280100000000, -0.0018391900000000, -0.0004615300000000 ] - [ 0.0006806900000000, -0.0014330500000000, -0.0002146000000000 ] - [ 0.0000712400000000, 0.0008952100000000, -0.0002881400000000 ] - [ -0.0000257400000000, -0.0003954000000000, -0.0003715000000000 ] - [ 0.0001129000000000, -0.0001257200000000, 0.0002840400000000 ] - [ 0.0006528700000000, -0.0023202900000000, 0.0002626700000000 ] - [ 0.0014394500000000, 0.0024291100000000, -0.0001666300000000 ] - [ -0.0003411200000000, 0.0001313100000000, -0.0001725500000000 ] - [ -0.0001903600000000, 0.0004908800000000, 0.0002035200000000 ] - [ 0.0003309500000000, 0.0008629900000000, 0.0002342300000000 ] - [ 0.0000707500000000, 0.0016614400000000, -0.0002744700000000 ] - [ -0.0000182900000000, 0.0007696000000000, -0.0002250600000000 ] - [ -0.0005952600000000, -0.0042242900000000, 0.0000267400000000 ] - [ -0.0000701000000000, -0.0006793700000000, 0.0001396500000000 ] - [ 0.0020185200000000, 0.0069282600000000, 0.0014944900000000 ] - [ 0.0002701200000000, -0.0003019700000000, -0.0000167400000000 ] - [ 0.0002657500000000, 0.0006121200000000, 0.0004099800000000 ] - [ -0.0005854000000000, -0.0001977600000000, 0.0001540100000000 ] - [ 0.0000806300000000, 0.0007155500000000, 0.0006571400000000 ] - [ 0.0002015300000000, 0.0004154000000000, 0.0007124900000000 ] - [ 0.0006126100000000, 0.0041495500000000, 0.0062249600000000 ] - [ 0.0001242600000000, -0.0000953300000000, -0.0001672800000000 ] - [ 0.0000374800000000, 0.0013893200000000, -0.0003037700000000 ] - [ 0.0000556300000000, 0.0009655100000000, -0.0002723500000000 ] - [ 0.0053935600000000, -0.0021024400000000, 0.0018858900000000 ] - [ 0.0002193600000000, -0.0005255500000000, 0.0005597100000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002796700000000, 0.0022260400000000, -0.0002216600000000 ] - [ -0.0002299500000000, 0.0010509200000000, -0.0002745400000000 ] - [ -0.0007135000000000, 0.0006681200000000, -0.0002173300000000 ] - [ 0.0021327100000000, 0.0024277600000000, 0.0004853800000000 ] - [ -0.0000534700000000, 0.0027890500000000, -0.0001661000000000 ] - [ 0.0000211800000000, 0.0014207000000000, -0.0000605100000000 ] - [ 0.0001148700000000, 0.0013347800000000, 0.0004182200000000 ] - [ -0.0005142600000000, 0.0017983100000000, 0.0002662900000000 ] - [ 0.0021318100000000, -0.0134889300000000, -0.0090864800000000 ] - [ -0.0003637500000000, -0.0009099400000000, 0.0003936200000000 ] - [ 0.0007410400000000, 0.0011957900000000, -0.0002746400000000 ] - [ 0.0003295500000000, 0.0012791900000000, -0.0003911400000000 ] - [ 0.0015905800000000, -0.0003548100000000, -0.0001218400000000 ] - [ -0.0046784600000000, -0.0015060500000000, -0.0012881600000000 ] - [ -0.0062738300000000, -0.0190134800000000, 0.0131218700000000 ] - [ 0.0002728000000000, -0.0006477500000000, -0.0003125400000000 ] - [ -0.0017285400000000, 0.0037954600000000, 0.0017195600000000 ] - [ 0.0001834000000000, 0.0005396100000000, 0.0002209700000000 ] - [ -0.0001534400000000, 0.0032012900000000, -0.0021328800000000 ] - [ -0.0000712300000000, 0.0007093400000000, -0.0002365400000000 ] - [ 0.0012897600000000, -0.0008846300000000, 0.0010987000000000 ] - [ -0.0004485800000000, -0.0021999800000000, 0.0000714300000000 ] - [ -0.0008105900000000, 0.0007765800000000, -0.0002490000000000 ] - [ 0.0017662900000000, 0.0016129200000000, 0.0005246100000000 ] - [ -0.0000770100000000, 0.0015386100000000, -0.0000783600000000 ] - [ -0.0002142400000000, 0.0006875100000000, -0.0001139300000000 ] - [ 0.0001735600000000, 0.0006634900000000, 0.0000950300000000 ] - [ 0.0007733900000000, 0.0005660200000000, 0.0003468400000000 ] - [ -0.0002760000000000, 0.0009242600000000, 0.0001709800000000 ] - [ -0.0004323600000000, -0.0000386100000000, 0.0001239600000000 ] - [ -0.0021190900000000, -0.0047962100000000, -0.0006777500000000 ] - [ 0.0013994900000000, -0.0023525200000000, 0.0000834300000000 ] - [ 0.0016000600000000, 0.0001107300000000, 0.0006523400000000 ] - [ 0.0000619900000000, -0.0001974900000000, 0.0000099200000000 ] - [ -0.0021630100000000, 0.0035273200000000, 0.0004787300000000 ] - [ -0.0005299300000000, -0.0001339400000000, 0.0005996600000000 ] - [ -0.0009318700000000, -0.0027458200000000, 0.0001703800000000 ] - [ -0.0005175800000000, -0.0009405900000000, -0.0001978400000000 ] - [ -0.0000575600000000, 0.0008351400000000, -0.0001578600000000 ] - [ 0.0006459100000000, 0.0006370600000000, -0.0000719600000000 ] - [ 0.0023068200000000, 0.0011524000000000, -0.0001156700000000 ] - [ 0.0001038500000000, 0.0003940600000000, -0.0005653200000000 ] - [ -0.0010850100000000, -0.0020686600000000, -0.0002374500000000 ] - [ 0.0008897000000000, -0.0013869300000000, 0.0003415900000000 ] - [ -0.0232243700000000, -0.0508680300000000, -0.0028556400000000 ] - [ -0.0003136100000000, -0.0009573600000000, 0.0000873200000000 ] - [ -0.0017011800000000, 0.0010873100000000, -0.0008317300000000 ] - [ -0.0004245300000000, -0.0007501000000000, -0.0002677600000000 ] - [ -0.0003367000000000, -0.0003075900000000, 0.0000031300000000 ] - [ -0.0007376300000000, -0.0006946000000000, -0.0002253000000000 ] - [ -0.0002946600000000, -0.0006123000000000, 0.0000902200000000 ] - [ 0.0000192500000000, -0.0004149800000000, 0.0002165900000000 ] - [ 0.0000507200000000, -0.0007078600000000, -0.0000862300000000 ] - [ 0.0000307600000000, -0.0001996400000000, -0.0000552700000000 ] - [ -0.0006877600000000, -0.0006255800000000, 0.0001763700000000 ] - [ 0.0010601600000000, -0.0004560000000000, 0.0001111700000000 ] - [ 0.0350087500000000, 0.1039813700000000, -0.0046789600000000 ] - [ -0.0002281400000000, 0.0002469000000000, -0.0001430100000000 ] - [ 0.0003319600000000, -0.0008277100000000, -0.0006587100000000 ] - [ 0.0003617200000000, -0.0004535400000000, -0.0006299700000000 ] - [ -0.0005788700000000, -0.0007816600000000, -0.0000003600000000 ] - [ 0.0004337600000000, -0.0008158800000000, 0.0001454000000000 ] - [ 0.0000666100000000, -0.0003062000000000, 0.0001733900000000 ] - [ -0.0004234500000000, -0.0004986600000000, 0.0000695500000000 ] - [ -0.0005454600000000, -0.0017512100000000, -0.0004988800000000 ] - [ -0.0004617800000000, -0.0008766600000000, -0.0003902700000000 ] - [ 0.0014081400000000, 0.0004327100000000, 0.0001522500000000 ] - [ 0.0003978400000000, 0.0001418900000000, 0.0000249500000000 ] - [ 0.0020370900000000, 0.0004119600000000, 0.0006092800000000 ] - [ -0.0000636900000000, 0.0002949000000000, -0.0001938800000000 ] - [ -0.0019215700000000, -0.0019074200000000, 0.0012190000000000 ] - [ -0.0002366100000000, 0.0004141500000000, 0.0002970100000000 ] - [ 0.0008777600000000, -0.0008199400000000, 0.0003626200000000 ] - [ -0.0002465000000000, -0.0000451700000000, 0.0000006500000000 ] - [ -0.0002079900000000, -0.0006020800000000, -0.0004595700000000 ] - [ -0.0003437400000000, -0.0002384700000000, -0.0004684500000000 ] - [ 0.0009194500000000, -0.0007619900000000, -0.0000525500000000 ] - [ -0.0000015200000000, -0.0003408300000000, -0.0002796000000000 ] - [ 0.0004207200000000, -0.0021660900000000, 0.0005323300000000 ] - [ -0.0000200700000000, -0.0002865900000000, -0.0000146600000000 ] - [ -0.0006075300000000, -0.0004458300000000, -0.0000589500000000 ] - [ 0.0002287800000000, -0.0008278500000000, 0.0000361000000000 ] - [ -0.0011690600000000, -0.0009440900000000, -0.0000067900000000 ] - [ -0.0004859900000000, -0.0005260300000000, 0.0003280400000000 ] - [ -0.0002072100000000, -0.0006904100000000, -0.0000832900000000 ] - [ 0.0001831500000000, -0.0003082600000000, -0.0000265100000000 ] - [ 0.0008707700000000, -0.0004834100000000, 0.0004991400000000 ] - [ -0.0003754700000000, -0.0003515900000000, -0.0001017400000000 ] - [ -0.0000972400000000, -0.0008348900000000, -0.0000908100000000 ] - [ -0.0001723100000000, 0.0002886600000000, -0.0001572400000000 ] - [ 0.0038996000000000, -0.0101593200000000, 0.0019886200000000 ] - [ -0.0003139900000000, 0.0002565700000000, -0.0003059300000000 ] - [ -0.0005237200000000, -0.0004176300000000, 0.0001208000000000 ] - [ -0.0007500300000000, -0.0003360400000000, 0.0000359800000000 ] - [ -0.0006375500000000, 0.0011773400000000, -0.0000798800000000 ] - [ -0.0004027200000000, 0.0040290600000000, -0.0005770200000000 ] - [ -0.0050673200000000, -0.0006874600000000, 0.0080067000000000 ] - [ 0.0007512500000000, 0.0005459300000000, -0.0000400400000000 ] - [ 0.0006841800000000, 0.0014929800000000, 0.0007430400000000 ] - [ -0.0005575900000000, 0.0006457500000000, 0.0005311100000000 ] - [ 0.0070660200000000, -0.0056962300000000, 0.0022978600000000 ] - [ -0.0002719500000000, 0.0003651300000000, -0.0000112700000000 ] - [ 0.0009004700000000, 0.0007854000000000, 0.0003055100000000 ] - [ -0.0016210400000000, 0.0005012800000000, -0.0001051200000000 ] - [ 0.0002033100000000, -0.0001496600000000, -0.0002813800000000 ] - [ 0.0008860200000000, -0.0005066000000000, 0.0000162500000000 ] - [ -0.0008138300000000, 0.0016307300000000, -0.0008638900000000 ] - [ -0.0001291100000000, 0.0006942800000000, -0.0005617300000000 ] - [ 0.0002565900000000, -0.0008030100000000, 0.0001181400000000 ] - [ 0.0002441400000000, -0.0009046400000000, 0.0000947500000000 ] - [ -0.0003852800000000, 0.0006758200000000, 0.0001233000000000 ] - [ 0.0007052500000000, 0.0007475300000000, 0.0009736400000000 ] - [ 0.0015382400000000, -0.0012817300000000, -0.0006532000000000 ] - [ 0.0005028200000000, -0.0002033100000000, -0.0003474200000000 ] - [ 0.0002190300000000, -0.0007217400000000, -0.0000934300000000 ] - [ 0.0001475900000000, -0.0008924500000000, -0.0000970300000000 ] - [ -0.0003223800000000, -0.0014156800000000, 0.0002583600000000 ] - [ -0.0003219100000000, -0.0008752100000000, 0.0002320300000000 ] - [ 0.0009348600000000, 0.0008074500000000, 0.0000212700000000 ] - [ 0.0000281500000000, 0.0004002600000000, -0.0002221800000000 ] - [ -0.0000396400000000, -0.0021251200000000, -0.0004613200000000 ] - [ 0.0000564400000000, -0.0008271000000000, -0.0003783000000000 ] - [ -0.0000734200000000, 0.0013497600000000, 0.0002749200000000 ] - [ -0.0005865900000000, 0.0035475200000000, 0.0003311400000000 ] - [ -0.0016917800000000, -0.0020020100000000, -0.0001032100000000 ] - [ 0.0000778100000000, 0.0002878900000000, -0.0000968900000000 ] - [ 0.0003528800000000, -0.0001828800000000, 0.0003202400000000 ] - [ -0.0001716000000000, -0.0005567700000000, 0.0002896800000000 ] - [ -0.0001071500000000, -0.0005661100000000, -0.0001463200000000 ] - [ -0.0000183300000000, 0.0003282700000000, -0.0001960500000000 ] - [ 0.0001993600000000, 0.0038341200000000, 0.0002005300000000 ] - [ -0.0003271500000000, 0.0002777300000000, 0.0000884200000000 ] - [ -0.0012775400000000, -0.0072054900000000, -0.0015497900000000 ] - [ 0.0005017800000000, 0.0001627700000000, -0.0000050700000000 ] - [ -0.0009619400000000, -0.0008280600000000, 0.0000662900000000 ] - [ -0.0001120600000000, -0.0000161100000000, 0.0003201200000000 ] - [ 0.0001218600000000, -0.0006515100000000, 0.0006935000000000 ] - [ -0.0000010000000000, -0.0003508300000000, 0.0006376500000000 ] - [ -0.0003900300000000, -0.0038338800000000, -0.0065084900000000 ] - [ 0.0000813400000000, 0.0003883700000000, -0.0001705300000000 ] - [ -0.0000795200000000, -0.0001682200000000, -0.0002555200000000 ] - [ -0.0000973100000000, 0.0002570000000000, -0.0002868300000000 ] - [ -0.0049663500000000, 0.0023546200000000, -0.0009984000000000 ] - [ 0.0002622900000000, 0.0008118100000000, 0.0003439700000000 ]- atom: 57 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0002635500000000, 0.0003305100000000, -0.0002845600000000 ] - [ -0.0001697600000000, 0.0003395700000000, -0.0002477000000000 ] - [ 0.0002625100000000, 0.0002011700000000, -0.0000594400000000 ] - [ -0.0001397500000000, 0.0004927100000000, 0.0005935600000000 ] - [ 0.0000053400000000, 0.0010724700000000, -0.0000738300000000 ] - [ 0.0000733600000000, 0.0007506300000000, -0.0000645600000000 ] - [ -0.0001718900000000, 0.0003819800000000, 0.0003589700000000 ] - [ -0.0002257300000000, 0.0003592800000000, 0.0004164200000000 ] - [ -0.0069694700000000, 0.0066756500000000, 0.0167179600000000 ] - [ -0.0003928800000000, -0.0000663300000000, 0.0004406800000000 ] - [ 0.0005072600000000, 0.0000334500000000, -0.0003555400000000 ] - [ 0.0005479800000000, 0.0000551600000000, -0.0004071600000000 ] - [ 0.0010973500000000, 0.0010795200000000, 0.0004040400000000 ] - [ -0.0012185500000000, 0.0007248100000000, 0.0025831700000000 ] - [ -0.0084332100000000, -0.0135251500000000, 0.0165713900000000 ] - [ 0.0003490400000000, 0.0002218200000000, -0.0003291800000000 ] - [ 0.0004233300000000, -0.0008833800000000, 0.0003790600000000 ] - [ -0.0000508600000000, 0.0004090100000000, 0.0001621800000000 ] - [ -0.0005136300000000, 0.0016522000000000, -0.0005226800000000 ] - [ -0.0001345800000000, 0.0005486100000000, -0.0002446700000000 ] - [ -0.0001641900000000, 0.0002468200000000, 0.0001011100000000 ] - [ 0.0009943600000000, 0.0000749200000000, -0.0024213500000000 ] - [ 0.0000781500000000, 0.0005219900000000, 0.0001867100000000 ] - [ 0.0005025600000000, 0.0007309200000000, -0.0004169100000000 ] - [ -0.0001794600000000, 0.0001014400000000, -0.0001456400000000 ] - [ -0.0001344100000000, 0.0000756100000000, -0.0000920100000000 ] - [ 0.0004693100000000, -0.0003381900000000, 0.0001044000000000 ] - [ 0.0005131300000000, -0.0003251700000000, 0.0001791900000000 ] - [ -0.0004315900000000, -0.0006262200000000, 0.0001599100000000 ] - [ -0.0003506800000000, -0.0006634800000000, 0.0001385700000000 ] - [ 0.0000101600000000, -0.0009238600000000, 0.0015736300000000 ] - [ 0.0021782200000000, -0.0002540400000000, 0.0002151000000000 ] - [ 0.0008412900000000, -0.0005658900000000, 0.0001369500000000 ] - [ 0.0006172700000000, -0.0005610500000000, 0.0003330700000000 ] - [ -0.0012708100000000, -0.0001670700000000, 0.0020759700000000 ] - [ -0.0006809800000000, -0.0000323300000000, 0.0005903500000000 ] - [ 0.0004760800000000, -0.0002630900000000, -0.0060255800000000 ] - [ -0.0005978600000000, -0.0003079500000000, -0.0001870500000000 ] - [ 0.0002470000000000, -0.0003153300000000, -0.0000237400000000 ] - [ 0.0003574900000000, -0.0002269900000000, -0.0000443500000000 ] - [ 0.0008635000000000, 0.0000072200000000, -0.0002699000000000 ] - [ 0.0009614400000000, -0.0001895800000000, -0.0004677200000000 ] - [ 0.0005693300000000, -0.0001026600000000, -0.0011327500000000 ] - [ -0.0012183400000000, -0.0007350500000000, -0.0004694800000000 ] - [ -0.0048955800000000, -0.0042581600000000, 0.0085374200000000 ] - [ -0.0000248400000000, -0.0004635900000000, 0.0001765500000000 ] - [ -0.0006213900000000, -0.0007896800000000, -0.0020843600000000 ] - [ -0.0006940300000000, -0.0007255700000000, -0.0003522600000000 ] - [ -0.0005619400000000, 0.0000459300000000, -0.0000571100000000 ] - [ -0.0005438400000000, 0.0000084800000000, -0.0000678200000000 ] - [ -0.0001690700000000, -0.0000751500000000, 0.0001622000000000 ] - [ -0.0001623100000000, -0.0000443900000000, 0.0001295500000000 ] - [ 0.0001282700000000, 0.0001421400000000, -0.0000374900000000 ] - [ 0.0000961600000000, 0.0001674300000000, -0.0000182100000000 ] - [ 0.0000024700000000, -0.0006345600000000, 0.0002485400000000 ] - [ -0.0002184800000000, -0.0003510600000000, 0.0003239900000000 ] - [ 0.0271317700000000, 0.0139992500000000, -0.0576180900000000 ] - [ -0.0003128400000000, -0.0002054400000000, -0.0001615500000000 ] - [ 0.0003356600000000, -0.0001557900000000, -0.0006354300000000 ] - [ 0.0002992900000000, -0.0001435000000000, -0.0006381500000000 ] - [ -0.0001333700000000, -0.0004723200000000, -0.0000254800000000 ] - [ -0.0000213100000000, -0.0003734600000000, -0.0000844300000000 ] - [ -0.0001139800000000, 0.0001852700000000, 0.0001635300000000 ] - [ -0.0001172300000000, 0.0001220300000000, 0.0001326200000000 ] - [ -0.0004394200000000, -0.0006618300000000, -0.0001712800000000 ] - [ -0.0004364300000000, -0.0006586500000000, -0.0003629500000000 ] - [ 0.0004305700000000, -0.0000258200000000, 0.0011820600000000 ] - [ 0.0005531300000000, 0.0000364900000000, 0.0000855000000000 ] - [ -0.0002119900000000, 0.0001437400000000, 0.0026905200000000 ] - [ 0.0002119300000000, 0.0000300200000000, -0.0000939800000000 ] - [ -0.0008028100000000, 0.0008523000000000, 0.0053247100000000 ] - [ -0.0003940100000000, 0.0001898700000000, 0.0002384000000000 ] - [ 0.0002761100000000, 0.0001569700000000, -0.0000123200000000 ] - [ 0.0000305900000000, 0.0001110400000000, 0.0001229400000000 ] - [ -0.0002098700000000, 0.0001226100000000, -0.0004715100000000 ] - [ -0.0002681200000000, 0.0001174300000000, -0.0004625100000000 ] - [ 0.0004129100000000, -0.0001317800000000, -0.0000221900000000 ] - [ 0.0003259300000000, -0.0000794300000000, -0.0002144300000000 ] - [ 0.0008483400000000, -0.0021956800000000, -0.0000383000000000 ] - [ 0.0000167000000000, -0.0003402400000000, 0.0000136700000000 ] - [ -0.0003855200000000, -0.0000982300000000, -0.0000189700000000 ] - [ -0.0004900300000000, 0.0000381400000000, -0.0000010000000000 ] - [ -0.0006146900000000, -0.0002040700000000, 0.0003119400000000 ] - [ -0.0007247900000000, -0.0003043500000000, 0.0003455100000000 ] - [ -0.0000208100000000, 0.0000132600000000, -0.0000848300000000 ] - [ -0.0000540700000000, 0.0000724800000000, -0.0000663600000000 ] - [ 0.0003313900000000, -0.0005196200000000, 0.0005295400000000 ] - [ 0.0006337000000000, -0.0001610600000000, 0.0004452600000000 ] - [ -0.0000421900000000, 0.0005026600000000, -0.0003062500000000 ] - [ -0.0001306800000000, 0.0005226700000000, -0.0001635400000000 ] - [ 0.0009293600000000, -0.0010002100000000, -0.0023664800000000 ] - [ -0.0002262800000000, 0.0001013100000000, -0.0002988100000000 ] - [ -0.0006379600000000, 0.0001514000000000, 0.0000655700000000 ] - [ -0.0006881100000000, 0.0001395800000000, 0.0000768100000000 ] - [ -0.0001428900000000, 0.0001845500000000, -0.0002173400000000 ] - [ -0.0072993500000000, 0.0005255400000000, 0.0004406600000000 ] - [ -0.0071304400000000, -0.0075809900000000, 0.0083584800000000 ] - [ 0.0006559900000000, 0.0001922800000000, -0.0001529800000000 ] - [ -0.0018551400000000, 0.0001391000000000, 0.0004086300000000 ] - [ -0.0001859200000000, -0.0000710200000000, -0.0000750800000000 ] - [ 0.0015791300000000, -0.0005435500000000, -0.0025461800000000 ] - [ -0.0002265900000000, 0.0000451400000000, 0.0000199300000000 ] - [ 0.0001328300000000, 0.0006204300000000, 0.0000054300000000 ] - [ -0.0011595400000000, -0.0004382400000000, -0.0003611400000000 ] - [ 0.0003757700000000, 0.0001438900000000, -0.0002118300000000 ] - [ 0.0004744400000000, 0.0000698400000000, -0.0001945700000000 ] - [ -0.0004397100000000, 0.0001315800000000, 0.0006124000000000 ] - [ 0.0003676100000000, -0.0001653300000000, -0.0004412800000000 ] - [ 0.0002028500000000, -0.0002395600000000, 0.0001102800000000 ] - [ 0.0001883900000000, -0.0002598300000000, 0.0001162500000000 ] - [ -0.0000507800000000, 0.0005115800000000, 0.0003485200000000 ] - [ 0.0002061900000000, 0.0003905300000000, 0.0003608300000000 ] - [ 0.0003164000000000, 0.0009787200000000, -0.0004708300000000 ] - [ 0.0006680600000000, -0.0002913900000000, -0.0003437400000000 ] - [ 0.0001930400000000, -0.0002187800000000, -0.0001024100000000 ] - [ 0.0001998900000000, -0.0002292000000000, -0.0001122800000000 ] - [ -0.0003408000000000, -0.0005758800000000, 0.0002243600000000 ] - [ -0.0003625700000000, -0.0005371300000000, 0.0002135100000000 ] - [ 0.0006770900000000, -0.0005448000000000, -0.0000460600000000 ] - [ -0.0000033400000000, -0.0004382200000000, 0.0008449200000000 ] - [ 0.0000928500000000, -0.0005830300000000, -0.0006017700000000 ] - [ -0.0000306700000000, -0.0006104700000000, -0.0003888900000000 ] - [ -0.0001714800000000, 0.0006214700000000, 0.0004419100000000 ] - [ 0.0046719300000000, 0.0004973600000000, 0.0040878200000000 ] - [ -0.0000735100000000, -0.0001905700000000, -0.0009110400000000 ] - [ -0.0001976700000000, 0.0002493500000000, -0.0001756000000000 ] - [ 0.0000880200000000, 0.0001627500000000, 0.0002425300000000 ] - [ 0.0000315800000000, 0.0000154500000000, 0.0002415400000000 ] - [ -0.0000391400000000, 0.0005152700000000, 0.0000147900000000 ] - [ -0.0000315500000000, 0.0005439300000000, -0.0002124300000000 ] - [ -0.0011658100000000, -0.0001381500000000, 0.0051910000000000 ] - [ -0.0001825200000000, -0.0001775300000000, 0.0001151400000000 ] - [ 0.0016517400000000, 0.0013236200000000, -0.0028663100000000 ] - [ 0.0002964600000000, -0.0000534200000000, -0.0000411300000000 ] - [ -0.0007490600000000, -0.0007199400000000, 0.0011082500000000 ] - [ -0.0003142700000000, -0.0001373500000000, 0.0002279900000000 ] - [ 0.0001197200000000, 0.0000083100000000, 0.0007066300000000 ] - [ 0.0000823600000000, 0.0000150100000000, 0.0006713300000000 ] - [ 0.0011007900000000, 0.0057954900000000, 0.0032697200000000 ] - [ 0.0000467100000000, 0.0001648700000000, -0.0001033700000000 ] - [ -0.0000222800000000, 0.0005698400000000, -0.0002490800000000 ] - [ -0.0000297800000000, 0.0005968000000000, -0.0002802500000000 ] - [ 0.0013585300000000, 0.0003028100000000, -0.0021393500000000 ] - [ -0.0004331800000000, 0.0005153000000000, 0.0003547100000000 ]- atom: 57 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0001438200000000, 0.0003192500000000, -0.0002305000000000 ] - [ -0.0002379700000000, 0.0003020800000000, -0.0002652700000000 ] - [ -0.0000557800000000, 0.0005465200000000, -0.0002084600000000 ] - [ 0.0003533300000000, 0.0002589900000000, -0.0008528100000000 ] - [ 0.0000555700000000, 0.0003956700000000, -0.0000669800000000 ] - [ -0.0000102500000000, 0.0007074800000000, -0.0000780500000000 ] - [ -0.0002364600000000, 0.0002125100000000, 0.0003340300000000 ] - [ -0.0001845000000000, 0.0002390600000000, 0.0002770700000000 ] - [ 0.0062903900000000, -0.0074002100000000, -0.0170755300000000 ] - [ -0.0006542200000000, 0.0000650900000000, 0.0002620300000000 ] - [ 0.0005411900000000, -0.0000223100000000, -0.0003461400000000 ] - [ 0.0004997700000000, -0.0000428200000000, -0.0002952200000000 ] - [ -0.0011524300000000, 0.0003727200000000, -0.0002757000000000 ] - [ 0.0011035900000000, 0.0007356400000000, -0.0024589300000000 ] - [ 0.0084540200000000, 0.0132712300000000, -0.0165634800000000 ] - [ 0.0000647800000000, 0.0003602800000000, -0.0003639500000000 ] - [ -0.0006405300000000, 0.0016469100000000, -0.0000976400000000 ] - [ -0.0001577500000000, 0.0003419400000000, 0.0001017100000000 ] - [ 0.0001431000000000, -0.0006182500000000, -0.0000111400000000 ] - [ -0.0002416500000000, 0.0004771600000000, -0.0002714200000000 ] - [ 0.0005780100000000, 0.0003890100000000, 0.0004277600000000 ] - [ -0.0005765200000000, 0.0005447400000000, 0.0029372000000000 ] - [ 0.0002930700000000, 0.0004987200000000, 0.0003324400000000 ] - [ -0.0001059200000000, 0.0003058900000000, 0.0009354200000000 ] - [ -0.0001229900000000, -0.0000186700000000, -0.0000414500000000 ] - [ -0.0001683100000000, 0.0000034200000000, -0.0000948300000000 ] - [ 0.0005069500000000, -0.0003640900000000, 0.0002335400000000 ] - [ 0.0004691500000000, -0.0003781700000000, 0.0001605700000000 ] - [ -0.0003399800000000, -0.0007585000000000, 0.0000970400000000 ] - [ -0.0004212900000000, -0.0007258400000000, 0.0001183500000000 ] - [ 0.0007932200000000, -0.0004971700000000, -0.0018341800000000 ] - [ -0.0014001100000000, -0.0011520100000000, -0.0004684100000000 ] - [ 0.0005646600000000, -0.0008035000000000, 0.0005816500000000 ] - [ 0.0007854500000000, -0.0008071300000000, 0.0003815500000000 ] - [ -0.0004617000000000, 0.0000004600000000, -0.0010274600000000 ] - [ -0.0010399400000000, -0.0001253800000000, 0.0004630100000000 ] - [ -0.0014648600000000, -0.0004767000000000, 0.0056937300000000 ] - [ -0.0003790000000000, -0.0004054200000000, -0.0001491100000000 ] - [ 0.0003418100000000, -0.0003637800000000, -0.0001174200000000 ] - [ 0.0002358200000000, -0.0004503100000000, -0.0000948400000000 ] - [ 0.0008692800000000, -0.0001616500000000, -0.0007872700000000 ] - [ 0.0007607300000000, 0.0000278600000000, -0.0005905600000000 ] - [ -0.0002921800000000, 0.0001695600000000, 0.0013214800000000 ] - [ 0.0015242300000000, 0.0008043700000000, 0.0006570200000000 ] - [ 0.0042032700000000, 0.0034077400000000, -0.0083536900000000 ] - [ -0.0005700400000000, -0.0002276200000000, -0.0000263000000000 ] - [ -0.0008025400000000, -0.0005503300000000, 0.0013531800000000 ] - [ -0.0007094300000000, -0.0006466800000000, -0.0003734100000000 ] - [ -0.0005555400000000, 0.0000183800000000, -0.0001057800000000 ] - [ -0.0005773600000000, 0.0000525100000000, -0.0000945500000000 ] - [ -0.0001670300000000, 0.0000400200000000, 0.0000945600000000 ] - [ -0.0001728400000000, 0.0000095700000000, 0.0001276900000000 ] - [ 0.0001027300000000, 0.0002269200000000, 0.0000155300000000 ] - [ 0.0001350100000000, 0.0002046800000000, -0.0000032900000000 ] - [ -0.0000383700000000, -0.0005921600000000, 0.0004998500000000 ] - [ 0.0001940700000000, -0.0008711000000000, 0.0004205200000000 ] - [ -0.0273280300000000, -0.0128473500000000, 0.0578790900000000 ] - [ -0.0000797400000000, -0.0002271900000000, -0.0000860100000000 ] - [ 0.0002902000000000, -0.0001036900000000, -0.0006434300000000 ] - [ 0.0003262600000000, -0.0001141300000000, -0.0006402300000000 ] - [ 0.0000029500000000, -0.0002280200000000, 0.0000291200000000 ] - [ -0.0001037400000000, -0.0003276700000000, 0.0000869300000000 ] - [ -0.0000908300000000, 0.0001083800000000, 0.0001752100000000 ] - [ -0.0000904000000000, 0.0001710600000000, 0.0002045700000000 ] - [ -0.0004174100000000, -0.0006121400000000, -0.0005512700000000 ] - [ -0.0004193700000000, -0.0006119400000000, -0.0003590200000000 ] - [ 0.0006881000000000, 0.0001005600000000, -0.0010205300000000 ] - [ 0.0005642300000000, 0.0000287700000000, 0.0000767300000000 ] - [ 0.0005784600000000, -0.0001782200000000, -0.0029508000000000 ] - [ 0.0001213900000000, -0.0000602100000000, -0.0001633700000000 ] - [ -0.0000072800000000, -0.0005396600000000, -0.0048615900000000 ] - [ -0.0003905600000000, 0.0001621200000000, 0.0002314100000000 ] - [ -0.0000082000000000, 0.0002657300000000, 0.0002815800000000 ] - [ 0.0002305900000000, 0.0003086800000000, 0.0001429500000000 ] - [ -0.0002675600000000, 0.0001652800000000, -0.0004314500000000 ] - [ -0.0002108600000000, 0.0001717000000000, -0.0004408200000000 ] - [ 0.0002897100000000, -0.0000851000000000, -0.0004513700000000 ] - [ 0.0003668500000000, -0.0001334400000000, -0.0002597500000000 ] - [ -0.0007026700000000, 0.0014738900000000, 0.0000266600000000 ] - [ 0.0001096600000000, -0.0003559900000000, -0.0000160700000000 ] - [ -0.0003864400000000, -0.0000455600000000, 0.0000408100000000 ] - [ -0.0002787300000000, -0.0001829700000000, 0.0000228800000000 ] - [ -0.0007867300000000, -0.0003937800000000, 0.0002490000000000 ] - [ -0.0006748800000000, -0.0002918600000000, 0.0002181800000000 ] - [ -0.0000477700000000, 0.0001357000000000, -0.0000225600000000 ] - [ -0.0000128000000000, 0.0000787000000000, -0.0000409500000000 ] - [ 0.0005297900000000, -0.0007483400000000, 0.0001927000000000 ] - [ 0.0002159600000000, -0.0011051700000000, 0.0002788400000000 ] - [ -0.0001708300000000, 0.0005796400000000, -0.0000089900000000 ] - [ -0.0000823800000000, 0.0005657700000000, -0.0001515900000000 ] - [ -0.0010703200000000, 0.0012339900000000, 0.0018621600000000 ] - [ 0.0000628100000000, 0.0002072700000000, -0.0002243300000000 ] - [ -0.0006901900000000, 0.0001946200000000, 0.0000477600000000 ] - [ -0.0006422300000000, 0.0002059300000000, 0.0000365300000000 ] - [ -0.0000987200000000, 0.0001962100000000, 0.0002377200000000 ] - [ 0.0070107300000000, -0.0001371200000000, -0.0004514400000000 ] - [ 0.0085850200000000, 0.0080748700000000, -0.0085532300000000 ] - [ 0.0006739000000000, 0.0001583400000000, 0.0000390900000000 ] - [ 0.0012366800000000, -0.0003859800000000, 0.0008871700000000 ] - [ -0.0004387200000000, -0.0001795300000000, 0.0013531400000000 ] - [ -0.0015319600000000, 0.0007565600000000, 0.0026370400000000 ] - [ 0.0002910600000000, 0.0001092600000000, 0.0000862100000000 ] - [ 0.0000769900000000, 0.0004741100000000, 0.0003097700000000 ] - [ 0.0013555700000000, 0.0015285600000000, 0.0006636100000000 ] - [ 0.0004095600000000, 0.0002038900000000, -0.0002591400000000 ] - [ 0.0003130000000000, 0.0002760700000000, -0.0002749100000000 ] - [ 0.0002467700000000, -0.0000584700000000, -0.0019643300000000 ] - [ -0.0005708900000000, 0.0002356900000000, -0.0009071800000000 ] - [ 0.0001892300000000, -0.0001986400000000, 0.0001369400000000 ] - [ 0.0002032500000000, -0.0001795600000000, 0.0001306300000000 ] - [ 0.0000874400000000, 0.0005853100000000, 0.0000722700000000 ] - [ -0.0001675100000000, 0.0007077700000000, 0.0000684200000000 ] - [ 0.0010913100000000, -0.0015898100000000, -0.0000771300000000 ] - [ 0.0007307900000000, -0.0003019800000000, -0.0002205400000000 ] - [ 0.0002022300000000, -0.0001852600000000, -0.0001264400000000 ] - [ 0.0001945000000000, -0.0001762100000000, -0.0001165700000000 ] - [ -0.0003664900000000, -0.0004671500000000, 0.0002138200000000 ] - [ -0.0003446000000000, -0.0005031200000000, 0.0002241600000000 ] - [ 0.0000337500000000, -0.0004860200000000, -0.0004013900000000 ] - [ 0.0007059900000000, -0.0005935400000000, -0.0012841900000000 ] - [ -0.0000624400000000, -0.0006429200000000, -0.0001497200000000 ] - [ 0.0000613900000000, -0.0006130100000000, -0.0003612500000000 ] - [ 0.0002136400000000, 0.0006060000000000, 0.0001165000000000 ] - [ -0.0046815700000000, 0.0007366900000000, -0.0035383300000000 ] - [ -0.0001989900000000, 0.0005950900000000, 0.0006448400000000 ] - [ -0.0000635900000000, 0.0001721900000000, -0.0000932900000000 ] - [ 0.0000741100000000, 0.0001446600000000, 0.0002808900000000 ] - [ 0.0001278800000000, 0.0002878800000000, 0.0002796500000000 ] - [ 0.0000023100000000, 0.0005713800000000, -0.0004350900000000 ] - [ -0.0000053600000000, 0.0005530100000000, -0.0002086300000000 ] - [ 0.0007638100000000, -0.0002355100000000, -0.0049601400000000 ] - [ -0.0002150500000000, -0.0002212600000000, 0.0001123600000000 ] - [ -0.0008803800000000, -0.0014374400000000, 0.0028537400000000 ] - [ 0.0004755200000000, -0.0000859200000000, 0.0000196500000000 ] - [ 0.0000528700000000, 0.0005136500000000, -0.0006360400000000 ] - [ -0.0003813500000000, -0.0000739200000000, 0.0002463500000000 ] - [ 0.0000823700000000, 0.0000533600000000, 0.0006442100000000 ] - [ 0.0001181900000000, 0.0000487100000000, 0.0006791200000000 ] - [ -0.0008737100000000, -0.0054549100000000, -0.0036195400000000 ] - [ 0.0001586400000000, 0.0001318900000000, -0.0002346200000000 ] - [ -0.0000201000000000, 0.0006489100000000, -0.0003099600000000 ] - [ -0.0000123700000000, 0.0006248800000000, -0.0002789800000000 ] - [ -0.0009632600000000, -0.0000286100000000, 0.0030170900000000 ] - [ 0.0009096200000000, -0.0002210000000000, 0.0005455500000000 ]- atom: 59 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ 0.0011300400000000, 0.0018298500000000, 0.0013321600000000 ] - [ -0.0014128900000000, -0.0002880800000000, -0.0008780400000000 ] - [ 0.0000887100000000, -0.0002223400000000, -0.0000754100000000 ] - [ -0.0001610300000000, 0.0010841300000000, -0.0003364900000000 ] - [ 0.0035285300000000, 0.0053905500000000, -0.0007386800000000 ] - [ -0.0013499900000000, 0.0002073300000000, -0.0001947700000000 ] - [ -0.0015255000000000, 0.0003743300000000, 0.0008301400000000 ] - [ -0.0020712100000000, -0.0007230900000000, -0.0010274200000000 ] - [ -0.0002102500000000, 0.0001304000000000, 0.0004534600000000 ] - [ -0.0008303600000000, 0.0000384200000000, 0.0002618000000000 ] - [ -0.0032298100000000, 0.0003251500000000, -0.0027014700000000 ] - [ -0.0024190100000000, -0.0007593000000000, -0.0005136200000000 ] - [ 0.0001458900000000, 0.0013612000000000, 0.0001589100000000 ] - [ -0.0003073400000000, 0.0003799900000000, -0.0000394700000000 ] - [ 0.0004507800000000, 0.0005070000000000, -0.0003067700000000 ] - [ -0.0000731900000000, 0.0003066400000000, -0.0004101500000000 ] - [ 0.0008387900000000, -0.0026575000000000, -0.0003828600000000 ] - [ -0.0012917700000000, 0.0011647600000000, -0.0000725800000000 ] - [ 0.0008394700000000, -0.0007291600000000, 0.0008327700000000 ] - [ -0.0013381500000000, 0.0011233200000000, -0.0006678100000000 ] - [ 0.0002418500000000, 0.0009241500000000, 0.0002409100000000 ] - [ -0.0000103100000000, -0.0000257500000000, 0.0002304100000000 ] - [ 0.0001915300000000, -0.0003825500000000, 0.0001742900000000 ] - [ -0.0002470500000000, 0.0011527800000000, 0.0002567700000000 ] - [ 0.0150759700000000, 0.0007905600000000, -0.0081339600000000 ] - [ -0.0018537600000000, 0.0001817400000000, -0.0005186700000000 ] - [ 0.0024361500000000, -0.0015919100000000, -0.0009644400000000 ] - [ -0.0006374500000000, 0.0000659600000000, -0.0000608900000000 ] - [ 0.0105697700000000, -0.0014834400000000, -0.0001439500000000 ] - [ -0.0017664600000000, -0.0007006900000000, -0.0002942400000000 ] - [ 0.0006499700000000, -0.0006427000000000, -0.0000403400000000 ] - [ 0.0001230700000000, -0.0006216000000000, -0.0002168600000000 ] - [ 0.0016610900000000, 0.0008337200000000, -0.0001841600000000 ] - [ -0.0001419400000000, -0.0011606100000000, 0.0001567100000000 ] - [ 0.0000629500000000, 0.0000969900000000, 0.0006790500000000 ] - [ -0.0014195400000000, -0.0001261500000000, 0.0003814000000000 ] - [ 0.0001601700000000, -0.0004473600000000, 0.0000271000000000 ] - [ -0.0009579200000000, -0.0002350000000000, -0.0003280600000000 ] - [ 0.0000855500000000, -0.0028532100000000, 0.0014785500000000 ] - [ -0.0009720100000000, 0.0001921600000000, -0.0004783600000000 ] - [ 0.0007298100000000, 0.0026588100000000, 0.0000555000000000 ] - [ -0.0001879700000000, -0.0006904400000000, -0.0008629400000000 ] - [ 0.0004333200000000, 0.0000729400000000, 0.0001545700000000 ] - [ -0.0001160200000000, 0.0001293300000000, 0.0000404400000000 ] - [ 0.0003824500000000, -0.0002490300000000, 0.0002087000000000 ] - [ -0.0007783200000000, -0.0002325400000000, -0.0000211600000000 ] - [ 0.0001236700000000, -0.0002421900000000, -0.0000590300000000 ] - [ -0.0012456700000000, -0.0007758100000000, -0.0005081800000000 ] - [ -0.0004517600000000, 0.0005557000000000, 0.0001567000000000 ] - [ -0.0002844000000000, -0.0003665000000000, -0.0000466700000000 ] - [ -0.0021467700000000, -0.0012363000000000, 0.0026904500000000 ] - [ 0.0006338300000000, 0.0000392600000000, 0.0003732700000000 ] - [ 0.0014302900000000, -0.0021668300000000, 0.0058320300000000 ] - [ 0.0009372900000000, 0.0004137200000000, 0.0001655200000000 ] - [ 0.0001278500000000, -0.0012284500000000, 0.0003438900000000 ] - [ 0.0002063400000000, -0.0002279500000000, 0.0004404500000000 ] - [ -0.0003443900000000, -0.0002355800000000, -0.0001396600000000 ] - [ -0.0000687200000000, -0.0002662200000000, -0.0001039000000000 ] - [ -0.0337359000000000, -0.0015853200000000, 0.0186190900000000 ] - [ 0.0011617100000000, -0.0001873600000000, -0.0005056300000000 ] - [ 0.0000293400000000, -0.0012218400000000, -0.0002835800000000 ] - [ 0.0003078900000000, 0.0000705400000000, 0.0001917300000000 ] - [ -0.0003472100000000, 0.0005665300000000, -0.0002586400000000 ] - [ 0.0003000800000000, -0.0000570000000000, 0.0003552400000000 ] - [ 0.0007372400000000, 0.0038070400000000, -0.0035218800000000 ] - [ 0.0002257600000000, -0.0007753300000000, -0.0001622000000000 ] - [ 0.0004383700000000, 0.0005815800000000, -0.0000343000000000 ] - [ 0.0007971400000000, -0.0002079900000000, 0.0001729900000000 ] - [ -0.0000805700000000, -0.0000933800000000, -0.0002210700000000 ] - [ 0.0003793600000000, -0.0000170600000000, -0.0000610700000000 ] - [ -0.0005011900000000, -0.0000616300000000, 0.0001715200000000 ] - [ -0.0002191100000000, 0.0002801800000000, 0.0002945800000000 ] - [ -0.0003692700000000, 0.0008130000000000, -0.0001256600000000 ] - [ 0.0005807900000000, 0.0000221200000000, 0.0002658100000000 ] - [ -0.0023581800000000, 0.0033427300000000, -0.0043652500000000 ] - [ 0.0005451600000000, 0.0002153800000000, -0.0001807100000000 ] - [ -0.0004409000000000, 0.0002440700000000, -0.0002113500000000 ] - [ 0.0007768100000000, -0.0002490600000000, -0.0001576300000000 ] - [ -0.0002982700000000, -0.0008180200000000, -0.0000474300000000 ] - [ 0.0002963100000000, -0.0002715400000000, 0.0000500200000000 ] - [ 0.0008287900000000, -0.0012778800000000, -0.0005171400000000 ] - [ 0.0005035600000000, 0.0007765300000000, 0.0003664200000000 ] - [ -0.0008835400000000, -0.0027090200000000, 0.0007146500000000 ] - [ -0.0001716200000000, 0.0000070300000000, 0.0003401400000000 ] - [ 0.0025920200000000, -0.0038963700000000, -0.0057904700000000 ] - [ 0.0008157500000000, 0.0001110200000000, 0.0001759100000000 ] - [ 0.0003174300000000, -0.0004685000000000, 0.0003471200000000 ] - [ 0.0005527200000000, -0.0008448700000000, 0.0004042100000000 ] - [ -0.0010244600000000, 0.0024755800000000, 0.0017892800000000 ] - [ 0.0005876100000000, 0.0004381500000000, -0.0000051400000000 ] - [ -0.0002856000000000, 0.0005690200000000, -0.0002428500000000 ] - [ 0.0001651800000000, -0.0000662800000000, -0.0002205800000000 ] - [ 0.0004521900000000, 0.0046186200000000, 0.0009938900000000 ] - [ 0.0000251100000000, -0.0001143300000000, 0.0001534100000000 ] - [ -0.0000973400000000, 0.0000622000000000, 0.0000161100000000 ] - [ -0.0000939000000000, 0.0002236500000000, 0.0000237300000000 ] - [ 0.0004144700000000, 0.0001572100000000, -0.0001657200000000 ] - [ 0.0008632700000000, 0.0001273700000000, 0.0000016500000000 ] - [ -0.0004778300000000, -0.0001842700000000, 0.0005891500000000 ] - [ -0.0001624900000000, -0.0001363000000000, 0.0006819800000000 ] - [ -0.0002351900000000, 0.0000323500000000, 0.0000079200000000 ] - [ 0.0002471600000000, 0.0000655000000000, 0.0001008900000000 ] - [ 0.0000812400000000, 0.0007053400000000, 0.0001395100000000 ] - [ 0.0001825700000000, 0.0003325600000000, 0.0001707200000000 ] - [ 0.0008659900000000, -0.0008577100000000, 0.0007498500000000 ] - [ 0.0007745700000000, 0.0006353000000000, -0.0002910000000000 ] - [ -0.0003363800000000, -0.0000452300000000, -0.0007292800000000 ] - [ 0.0001121600000000, 0.0000304300000000, -0.0006245200000000 ] - [ 0.0013732200000000, 0.0007881200000000, -0.0011726000000000 ] - [ 0.0012358800000000, -0.0004624200000000, 0.0005293800000000 ] - [ 0.0000328000000000, -0.0000188900000000, 0.0002977100000000 ] - [ 0.0001790200000000, 0.0008191300000000, 0.0002421700000000 ] - [ 0.0003944200000000, -0.0003613400000000, -0.0004184300000000 ] - [ 0.0009274300000000, -0.0003066300000000, -0.0002058900000000 ] - [ 0.0002685400000000, 0.0006939800000000, 0.0010258700000000 ] - [ 0.0010274400000000, -0.0004410600000000, -0.0000072700000000 ] - [ -0.0015100900000000, -0.0002280400000000, -0.0015044200000000 ] - [ 0.0002388200000000, -0.0005545400000000, 0.0004951400000000 ] - [ 0.0002464400000000, -0.0005571300000000, -0.0002408500000000 ] - [ 0.0004556300000000, -0.0005474100000000, -0.0001957100000000 ] - [ -0.0005546000000000, -0.0012600400000000, -0.0001380700000000 ] - [ 0.0003167700000000, -0.0003881300000000, -0.0002723100000000 ] - [ 0.0000474800000000, 0.0004958200000000, 0.0002858200000000 ] - [ 0.0000269500000000, 0.0006494000000000, 0.0002763500000000 ] - [ -0.0010687800000000, -0.0003266000000000, -0.0005757800000000 ] - [ 0.0003569700000000, 0.0002827900000000, 0.0000533000000000 ] - [ 0.0004437300000000, 0.0007526600000000, 0.0001508800000000 ] - [ 0.0007773900000000, -0.0005238400000000, 0.0004858300000000 ] - [ -0.0002663900000000, -0.0003789600000000, -0.0007073200000000 ] - [ 0.0003310500000000, 0.0008245800000000, -0.0001368700000000 ] - [ -0.0003292000000000, -0.0001607700000000, 0.0000624800000000 ] - [ -0.0000592800000000, -0.0002802600000000, 0.0001617300000000 ] - [ 0.0002337800000000, -0.0002785600000000, -0.0000116600000000 ] - [ 0.0005537900000000, 0.0000207900000000, 0.0000184800000000 ] - [ -0.0013040500000000, -0.0002067900000000, 0.0000755800000000 ] - [ 0.0001430700000000, -0.0000502300000000, 0.0003240400000000 ] - [ -0.0033678500000000, -0.0012335500000000, -0.0011068100000000 ] - [ 0.0009752600000000, 0.0001669300000000, 0.0008801900000000 ] - [ -0.0003790900000000, 0.0003192800000000, -0.0002403000000000 ] - [ 0.0003914200000000, -0.0000117100000000, -0.0000973700000000 ] - [ 0.0071954700000000, -0.0028238600000000, -0.0050231900000000 ] - [ 0.0019216700000000, 0.0014806600000000, 0.0001154600000000 ] - [ 0.0000206500000000, 0.0000251400000000, 0.0003899400000000 ] - [ 0.0004512400000000, 0.0001541000000000, 0.0005151500000000 ]- atom: 59 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ -0.0015513000000000, -0.0011868900000000, -0.0018598000000000 ] - [ 0.0010028300000000, 0.0009205000000000, 0.0003606400000000 ] - [ 0.0001251600000000, 0.0009696000000000, -0.0001871300000000 ] - [ 0.0003675500000000, -0.0003350900000000, 0.0000717900000000 ] - [ -0.0035225800000000, -0.0038525500000000, 0.0005968700000000 ] - [ 0.0014074300000000, 0.0012415200000000, 0.0000539900000000 ] - [ 0.0011220700000000, 0.0002168200000000, -0.0001264400000000 ] - [ 0.0016481400000000, 0.0013117600000000, 0.0017207500000000 ] - [ -0.0008380200000000, -0.0001250400000000, 0.0002489200000000 ] - [ -0.0002185500000000, -0.0000335200000000, 0.0004404300000000 ] - [ 0.0045232600000000, -0.0003469200000000, 0.0020562700000000 ] - [ 0.0034706200000000, 0.0007695800000000, -0.0001898500000000 ] - [ -0.0002063600000000, 0.0000959300000000, -0.0000150900000000 ] - [ 0.0002416100000000, 0.0010743100000000, 0.0001817400000000 ] - [ -0.0000413900000000, 0.0000814400000000, -0.0003869200000000 ] - [ 0.0004832500000000, 0.0002805500000000, -0.0002833800000000 ] - [ -0.0010616600000000, 0.0033921200000000, 0.0006490400000000 ] - [ 0.0010763700000000, -0.0004092600000000, 0.0003372200000000 ] - [ -0.0012151200000000, 0.0017452200000000, -0.0013525000000000 ] - [ 0.0009578200000000, -0.0000936600000000, 0.0001486600000000 ] - [ 0.0001670900000000, -0.0002824000000000, 0.0002723700000000 ] - [ 0.0004151200000000, 0.0006639900000000, 0.0002819900000000 ] - [ 0.0001874100000000, 0.0014029800000000, 0.0003427600000000 ] - [ 0.0006196300000000, -0.0001289800000000, 0.0002593500000000 ] - [ -0.0154841900000000, -0.0007800800000000, 0.0084471900000000 ] - [ 0.0015404600000000, -0.0001051400000000, 0.0003305700000000 ] - [ -0.0014316200000000, 0.0008831500000000, 0.0013067500000000 ] - [ 0.0016117700000000, -0.0007765900000000, 0.0004044400000000 ] - [ -0.0113342100000000, 0.0000983300000000, 0.0005150700000000 ] - [ 0.0009913800000000, -0.0006915600000000, 0.0005511300000000 ] - [ 0.0001252700000000, -0.0007498300000000, -0.0002195100000000 ] - [ 0.0006491300000000, -0.0007707800000000, -0.0000441600000000 ] - [ -0.0002402300000000, -0.0022089800000000, 0.0009034300000000 ] - [ 0.0015417600000000, -0.0002121800000000, 0.0005593100000000 ] - [ -0.0017861400000000, -0.0002504200000000, 0.0003744500000000 ] - [ -0.0003064100000000, -0.0000320400000000, 0.0006709200000000 ] - [ -0.0011353200000000, -0.0002646700000000, -0.0003678800000000 ] - [ -0.0000202000000000, -0.0004728000000000, -0.0000144600000000 ] - [ 0.0005263800000000, 0.0021624900000000, -0.0016052800000000 ] - [ 0.0015606800000000, -0.0008765600000000, 0.0003372700000000 ] - [ 0.0010060900000000, -0.0028150500000000, -0.0011101100000000 ] - [ 0.0019099600000000, 0.0005268900000000, -0.0001961400000000 ] - [ -0.0001316300000000, 0.0000064200000000, 0.0000362800000000 ] - [ 0.0004148100000000, -0.0000506200000000, 0.0001496200000000 ] - [ -0.0009788200000000, -0.0004401600000000, -0.0000573800000000 ] - [ 0.0001783600000000, -0.0004531300000000, 0.0001723800000000 ] - [ -0.0015291900000000, -0.0011253200000000, -0.0006687800000000 ] - [ -0.0001612700000000, -0.0005959800000000, -0.0002206600000000 ] - [ -0.0006700500000000, -0.0004872100000000, -0.0003192700000000 ] - [ -0.0008324200000000, 0.0004313000000000, -0.0001154100000000 ] - [ 0.0017757500000000, 0.0012158700000000, -0.0024541100000000 ] - [ -0.0009661200000000, -0.0000719300000000, -0.0001140100000000 ] - [ -0.0011861000000000, 0.0025535700000000, -0.0058863100000000 ] - [ -0.0007040200000000, -0.0000387700000000, -0.0001865000000000 ] - [ -0.0001596500000000, 0.0000030000000000, 0.0004049300000000 ] - [ -0.0002341400000000, -0.0009936500000000, 0.0003094400000000 ] - [ -0.0000480800000000, -0.0001988400000000, -0.0001080700000000 ] - [ -0.0003236300000000, -0.0001690400000000, -0.0001439100000000 ] - [ 0.0343975600000000, 0.0012915000000000, -0.0205502500000000 ] - [ -0.0005331300000000, -0.0000684000000000, -0.0007727200000000 ] - [ -0.0001602100000000, 0.0005226400000000, 0.0002824400000000 ] - [ -0.0004322700000000, -0.0007664400000000, -0.0001888900000000 ] - [ 0.0001341300000000, -0.0002725000000000, 0.0005937700000000 ] - [ -0.0005030900000000, 0.0003526400000000, -0.0000162000000000 ] - [ -0.0015856500000000, -0.0050929300000000, 0.0028164800000000 ] - [ -0.0010781200000000, -0.0004957700000000, -0.0005582200000000 ] - [ 0.0006806500000000, -0.0005134500000000, 0.0001975400000000 ] - [ 0.0003214100000000, 0.0002712400000000, -0.0000092500000000 ] - [ 0.0004155800000000, 0.0000613900000000, -0.0000359700000000 ] - [ -0.0000427600000000, -0.0000140300000000, -0.0001957300000000 ] - [ -0.0002839900000000, 0.0004119400000000, 0.0002990300000000 ] - [ -0.0005668500000000, 0.0000718800000000, 0.0001758800000000 ] - [ 0.0006296600000000, -0.0003926400000000, 0.0003919700000000 ] - [ -0.0003150800000000, 0.0003993700000000, 0.0000031000000000 ] - [ 0.0018408400000000, -0.0030681100000000, 0.0034752800000000 ] - [ -0.0010209800000000, 0.0000768500000000, -0.0007209100000000 ] - [ 0.0011323900000000, -0.0004569300000000, -0.0002625700000000 ] - [ -0.0000792700000000, 0.0000381400000000, -0.0003167000000000 ] - [ 0.0004251900000000, 0.0001196400000000, 0.0000452700000000 ] - [ -0.0001689800000000, -0.0004240800000000, -0.0000520900000000 ] - [ -0.0015949200000000, 0.0011250800000000, 0.0005290000000000 ] - [ -0.0012720000000000, -0.0009196900000000, -0.0003452200000000 ] - [ -0.0005298200000000, 0.0021023900000000, -0.0001501700000000 ] - [ -0.0012263500000000, -0.0006012600000000, 0.0002245600000000 ] - [ -0.0026570600000000, 0.0040096200000000, 0.0056179300000000 ] - [ -0.0008805200000000, 0.0000422500000000, -0.0002828900000000 ] - [ 0.0005375900000000, -0.0007982700000000, 0.0003742100000000 ] - [ 0.0003041300000000, -0.0004229800000000, 0.0003176200000000 ] - [ 0.0008301600000000, -0.0013715300000000, -0.0020929600000000 ] - [ -0.0007985900000000, 0.0006515300000000, -0.0003096200000000 ] - [ 0.0001234400000000, -0.0002577500000000, -0.0002799400000000 ] - [ -0.0003278200000000, 0.0003727200000000, -0.0003030100000000 ] - [ -0.0017811800000000, -0.0042231000000000, -0.0008724600000000 ] - [ -0.0013530100000000, 0.0004636300000000, -0.0000393600000000 ] - [ -0.0001350600000000, 0.0003119700000000, 0.0000042100000000 ] - [ -0.0001373400000000, 0.0001512200000000, -0.0000030500000000 ] - [ 0.0009135500000000, 0.0001919800000000, 0.0000519300000000 ] - [ 0.0004660700000000, 0.0002203500000000, -0.0001151100000000 ] - [ -0.0001487200000000, -0.0000715100000000, 0.0006890900000000 ] - [ -0.0004624100000000, -0.0001190700000000, 0.0005966600000000 ] - [ 0.0003020800000000, 0.0001204000000000, 0.0000997000000000 ] - [ -0.0001790000000000, 0.0000879400000000, 0.0000070300000000 ] - [ 0.0001297400000000, 0.0003861300000000, 0.0001751200000000 ] - [ 0.0000301200000000, 0.0007579600000000, 0.0001444500000000 ] - [ -0.0000843600000000, 0.0011970500000000, -0.0012089900000000 ] - [ 0.0000151800000000, -0.0002850600000000, -0.0001764800000000 ] - [ 0.0001337100000000, 0.0001111800000000, -0.0006209100000000 ] - [ -0.0003124300000000, 0.0000353800000000, -0.0007249500000000 ] - [ -0.0009765500000000, -0.0012118200000000, 0.0014025000000000 ] - [ -0.0008419700000000, 0.0000275500000000, -0.0002846700000000 ] - [ 0.0000019800000000, 0.0011135900000000, 0.0001238800000000 ] - [ -0.0001408800000000, 0.0002789300000000, 0.0001803200000000 ] - [ 0.0010045200000000, -0.0002335700000000, -0.0001452900000000 ] - [ 0.0004727000000000, -0.0002860600000000, -0.0003574300000000 ] - [ 0.0001187100000000, -0.0010867500000000, -0.0012443200000000 ] - [ -0.0006312100000000, 0.0000395900000000, -0.0002166800000000 ] - [ 0.0008027100000000, -0.0008091100000000, 0.0019503100000000 ] - [ -0.0009441600000000, -0.0004838100000000, -0.0000549400000000 ] - [ 0.0004605700000000, -0.0004808100000000, -0.0001966800000000 ] - [ 0.0002528200000000, -0.0004903600000000, -0.0002415700000000 ] - [ 0.0005862700000000, 0.0000333700000000, -0.0006103600000000 ] - [ -0.0002859600000000, -0.0008318600000000, -0.0004771400000000 ] - [ -0.0000065200000000, 0.0007272900000000, 0.0002738300000000 ] - [ 0.0000153600000000, 0.0005744600000000, 0.0002836000000000 ] - [ 0.0008020400000000, 0.0007487400000000, 0.0003061400000000 ] - [ -0.0006171200000000, 0.0001378400000000, -0.0003214200000000 ] - [ -0.0002839100000000, -0.0004407600000000, 0.0003712900000000 ] - [ -0.0006099700000000, 0.0008301000000000, 0.0000388500000000 ] - [ 0.0002317400000000, 0.0014728000000000, 0.0002856000000000 ] - [ -0.0003673600000000, 0.0002760700000000, -0.0002838400000000 ] - [ -0.0000670600000000, -0.0002401100000000, 0.0001663400000000 ] - [ -0.0003373100000000, -0.0001217400000000, 0.0000669300000000 ] - [ 0.0005380500000000, 0.0001374300000000, -0.0000100700000000 ] - [ 0.0002172400000000, -0.0001604800000000, -0.0000404600000000 ] - [ 0.0006044300000000, -0.0000029900000000, 0.0003981500000000 ] - [ -0.0008375200000000, -0.0001618600000000, 0.0001510600000000 ] - [ 0.0035770300000000, 0.0012606900000000, 0.0024119900000000 ] - [ -0.0007694200000000, -0.0000991000000000, 0.0004721200000000 ] - [ 0.0005824100000000, -0.0000224100000000, -0.0000980500000000 ] - [ -0.0001855400000000, 0.0003054000000000, -0.0002402100000000 ] - [ -0.0073439400000000, 0.0041012000000000, 0.0045411000000000 ] - [ -0.0019448900000000, -0.0002435500000000, -0.0006716400000000 ] - [ 0.0004549800000000, 0.0002644600000000, 0.0005123300000000 ] - [ 0.0000267900000000, 0.0001354500000000, 0.0003878300000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012907900000000, 0.0011208900000000, 0.0001467700000000 ] - [ -0.0005056200000000, 0.0010272800000000, -0.0003797500000000 ] - [ -0.0005280000000000, -0.0003719100000000, -0.0002941300000000 ] - [ 0.0007458000000000, -0.0005102600000000, 0.0003074900000000 ] - [ 0.0037388500000000, -0.0010705700000000, 0.0005904000000000 ] - [ -0.0001714700000000, 0.0013013300000000, -0.0001028100000000 ] - [ 0.0009379900000000, 0.0024446800000000, 0.0007156500000000 ] - [ -0.0006290800000000, 0.0026918900000000, 0.0001164200000000 ] - [ -0.0005194100000000, -0.0013286500000000, 0.0003436200000000 ] - [ -0.0005018300000000, -0.0006801800000000, 0.0003531500000000 ] - [ 0.0022454500000000, 0.0057731600000000, -0.0000123900000000 ] - [ 0.0006369000000000, 0.0018829100000000, -0.0002634200000000 ] - [ 0.0002498400000000, -0.0002937600000000, 0.0001758900000000 ] - [ -0.0004205700000000, -0.0000720100000000, -0.0000651500000000 ] - [ 0.0003250600000000, -0.0011122900000000, -0.0002896800000000 ] - [ 0.0002054600000000, -0.0003999600000000, -0.0003348900000000 ] - [ -0.0027008400000000, -0.0035169000000000, -0.0007652900000000 ] - [ 0.0004455500000000, 0.0003058500000000, 0.0002502100000000 ] - [ -0.0010389900000000, -0.0003642200000000, -0.0002192200000000 ] - [ 0.0002895000000000, 0.0005435700000000, -0.0001089200000000 ] - [ 0.0005117800000000, -0.0007561700000000, 0.0003191800000000 ] - [ -0.0001794300000000, -0.0006364300000000, 0.0001839900000000 ] - [ -0.0006398300000000, -0.0006305100000000, 0.0000347600000000 ] - [ 0.0008774500000000, -0.0002994300000000, 0.0002118300000000 ] - [ 0.0003635000000000, 0.0111324300000000, -0.0020778700000000 ] - [ -0.0000085900000000, 0.0007069300000000, -0.0000685300000000 ] - [ -0.0015966800000000, -0.0008535600000000, -0.0017390000000000 ] - [ 0.0009845900000000, -0.0000152700000000, 0.0003403700000000 ] - [ -0.0011014400000000, 0.0101689200000000, 0.0017802400000000 ] - [ -0.0002437900000000, 0.0000067000000000, 0.0001860100000000 ] - [ 0.0003090800000000, -0.0016584700000000, -0.0001365900000000 ] - [ 0.0004524800000000, -0.0013866400000000, -0.0001093700000000 ] - [ 0.0019107600000000, -0.0017956800000000, 0.0019906300000000 ] - [ 0.0003035500000000, -0.0004899200000000, 0.0002402600000000 ] - [ -0.0010137400000000, -0.0015021400000000, 0.0007352500000000 ] - [ -0.0007816100000000, -0.0003824100000000, 0.0005558100000000 ] - [ -0.0005681200000000, -0.0016818000000000, -0.0000562200000000 ] - [ -0.0004324600000000, -0.0007387200000000, -0.0001343000000000 ] - [ -0.0024857500000000, -0.0007585400000000, 0.0005537800000000 ] - [ 0.0011326200000000, 0.0001893500000000, 0.0001478500000000 ] - [ 0.0027977200000000, -0.0014319800000000, -0.0013070000000000 ] - [ 0.0003159500000000, 0.0000828100000000, -0.0006816800000000 ] - [ 0.0000700500000000, -0.0009371700000000, 0.0000662400000000 ] - [ 0.0001905800000000, -0.0006435200000000, 0.0001035700000000 ] - [ -0.0003177700000000, -0.0016910900000000, -0.0000686300000000 ] - [ -0.0002391100000000, -0.0007478700000000, 0.0000690900000000 ] - [ -0.0007099200000000, -0.0021722700000000, -0.0006239700000000 ] - [ -0.0006725200000000, -0.0009775600000000, -0.0003559300000000 ] - [ -0.0000344000000000, 0.0001196400000000, 0.0002586400000000 ] - [ -0.0010657400000000, 0.0001527100000000, -0.0002184200000000 ] - [ -0.0016977200000000, -0.0006502300000000, -0.0042317500000000 ] - [ -0.0000953900000000, -0.0003973600000000, 0.0001684500000000 ] - [ -0.0020116500000000, -0.0019280900000000, -0.0033873200000000 ] - [ -0.0000011000000000, -0.0003470500000000, -0.0000740300000000 ] - [ -0.0004735700000000, -0.0000991100000000, 0.0003796400000000 ] - [ 0.0004889800000000, -0.0002691100000000, 0.0004952200000000 ] - [ -0.0001025100000000, 0.0004810000000000, -0.0001260000000000 ] - [ -0.0001929500000000, 0.0001078400000000, -0.0001383200000000 ] - [ -0.0011210600000000, -0.0301099300000000, 0.0001611600000000 ] - [ 0.0002528900000000, -0.0004477500000000, -0.0006536100000000 ] - [ -0.0006069800000000, -0.0001048700000000, -0.0000916200000000 ] - [ 0.0001872800000000, -0.0005022600000000, 0.0001301000000000 ] - [ 0.0007203200000000, 0.0004342300000000, 0.0004053900000000 ] - [ -0.0003715300000000, 0.0000056900000000, 0.0000099500000000 ] - [ 0.0035761800000000, 0.0020666700000000, -0.0040446700000000 ] - [ -0.0006215100000000, -0.0008889900000000, -0.0004352400000000 ] - [ 0.0009289700000000, 0.0008868800000000, 0.0000362700000000 ] - [ 0.0003931100000000, 0.0002092300000000, 0.0000324500000000 ] - [ 0.0002605000000000, 0.0006004400000000, -0.0000621200000000 ] - [ 0.0001637400000000, 0.0002454400000000, -0.0001283400000000 ] - [ -0.0004809100000000, 0.0007992400000000, 0.0002798800000000 ] - [ -0.0002104100000000, 0.0004865500000000, 0.0002982500000000 ] - [ 0.0005118700000000, 0.0009943700000000, 0.0000811300000000 ] - [ -0.0002058800000000, 0.0003408600000000, 0.0000524200000000 ] - [ 0.0023800200000000, 0.0027949000000000, -0.0068923900000000 ] - [ -0.0004050300000000, -0.0001557500000000, -0.0004956000000000 ] - [ 0.0006383200000000, 0.0007385500000000, 0.0000083200000000 ] - [ 0.0001538000000000, -0.0000425300000000, -0.0002772500000000 ] - [ 0.0000572300000000, 0.0007937700000000, -0.0000153400000000 ] - [ 0.0000563300000000, -0.0001751700000000, 0.0000021600000000 ] - [ -0.0012211800000000, -0.0003837500000000, -0.0000746100000000 ] - [ 0.0006788800000000, -0.0006181100000000, 0.0002342200000000 ] - [ -0.0030047900000000, 0.0018794100000000, -0.0004058200000000 ] - [ -0.0005354100000000, -0.0004744200000000, 0.0002781100000000 ] - [ -0.0038339600000000, 0.0000552700000000, 0.0036826300000000 ] - [ 0.0000862200000000, -0.0003131100000000, -0.0000200400000000 ] - [ 0.0004909100000000, -0.0001351700000000, 0.0004036700000000 ] - [ 0.0002827200000000, -0.0001834000000000, 0.0002818000000000 ] - [ 0.0020998400000000, 0.0015775200000000, 0.0038134700000000 ] - [ -0.0003545800000000, 0.0002912000000000, -0.0002035900000000 ] - [ 0.0002478800000000, 0.0009081200000000, -0.0000417700000000 ] - [ -0.0002583800000000, 0.0003198100000000, -0.0003050900000000 ] - [ 0.0033091500000000, 0.0026493900000000, 0.0011436000000000 ] - [ -0.0009314100000000, -0.0001054400000000, 0.0000472200000000 ] - [ -0.0002106700000000, 0.0006426300000000, -0.0000402000000000 ] - [ -0.0001509100000000, 0.0006697100000000, -0.0000209400000000 ] - [ 0.0007076600000000, 0.0008414900000000, -0.0000489800000000 ] - [ 0.0006619000000000, 0.0004050900000000, -0.0000594900000000 ] - [ -0.0002560700000000, 0.0003355700000000, 0.0006535900000000 ] - [ -0.0003043700000000, 0.0001805000000000, 0.0006388900000000 ] - [ 0.0001685700000000, 0.0006997900000000, 0.0000527600000000 ] - [ 0.0000243400000000, 0.0003419200000000, 0.0000516400000000 ] - [ 0.0002101600000000, 0.0010237800000000, 0.0001759800000000 ] - [ -0.0000327400000000, 0.0010439800000000, 0.0001502400000000 ] - [ -0.0003305100000000, -0.0001092500000000, -0.0005609900000000 ] - [ 0.0011287800000000, -0.0003868400000000, -0.0000211400000000 ] - [ -0.0002260100000000, 0.0006106400000000, -0.0007240500000000 ] - [ -0.0000744600000000, 0.0003104100000000, -0.0006727700000000 ] - [ 0.0009264200000000, -0.0018387600000000, 0.0000485600000000 ] - [ -0.0001446700000000, -0.0009922200000000, -0.0000226800000000 ] - [ -0.0003468900000000, 0.0011134900000000, -0.0000197200000000 ] - [ 0.0002908000000000, 0.0007684500000000, 0.0002832700000000 ] - [ 0.0007136500000000, 0.0003201900000000, -0.0002674900000000 ] - [ 0.0006492100000000, -0.0001189500000000, -0.0003043600000000 ] - [ 0.0007091900000000, -0.0015014200000000, 0.0002226300000000 ] - [ -0.0003081800000000, -0.0008514800000000, -0.0002314400000000 ] - [ -0.0000345100000000, -0.0028599700000000, 0.0002985000000000 ] - [ -0.0003922600000000, -0.0009177200000000, 0.0002095000000000 ] - [ 0.0004101200000000, -0.0000042400000000, -0.0002053000000000 ] - [ 0.0003592000000000, -0.0000954700000000, -0.0002122800000000 ] - [ -0.0001884200000000, 0.0003324200000000, -0.0012247500000000 ] - [ 0.0001481600000000, -0.0006737500000000, -0.0003383800000000 ] - [ -0.0000683100000000, 0.0010389500000000, 0.0002727400000000 ] - [ 0.0000078600000000, 0.0010388900000000, 0.0002858600000000 ] - [ -0.0002171200000000, 0.0010558300000000, 0.0001443800000000 ] - [ -0.0001023900000000, 0.0002549100000000, -0.0001352400000000 ] - [ 0.0007143500000000, 0.0002276700000000, 0.0002400200000000 ] - [ -0.0017146000000000, 0.0007861100000000, -0.0001768000000000 ] - [ -0.0005542000000000, 0.0015377300000000, 0.0006036600000000 ] - [ 0.0001215200000000, 0.0004889600000000, -0.0001726400000000 ] - [ -0.0001418800000000, 0.0004727200000000, 0.0001474700000000 ] - [ -0.0002640000000000, 0.0001300600000000, 0.0001090500000000 ] - [ 0.0003547800000000, 0.0005679400000000, -0.0000971200000000 ] - [ 0.0005355200000000, 0.0002293000000000, 0.0000113200000000 ] - [ -0.0003694800000000, 0.0007088500000000, -0.0000382800000000 ] - [ -0.0003265800000000, -0.0000500300000000, 0.0002561600000000 ] - [ -0.0007050100000000, 0.0025660000000000, 0.0079825800000000 ] - [ -0.0000587300000000, -0.0002747200000000, 0.0006293400000000 ] - [ 0.0000439200000000, 0.0009358500000000, -0.0001861800000000 ] - [ 0.0000430000000000, 0.0003370100000000, -0.0001843600000000 ] - [ -0.0029652000000000, -0.0015694300000000, 0.0012185600000000 ] - [ -0.0002684100000000, -0.0000073900000000, -0.0003057400000000 ] - [ 0.0001042800000000, 0.0007216500000000, 0.0004326900000000 ] - [ 0.0002713500000000, 0.0004351900000000, 0.0004670600000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016961600000000, -0.0004645100000000, -0.0006592000000000 ] - [ 0.0000996900000000, -0.0003846200000000, -0.0001319200000000 ] - [ 0.0007365300000000, 0.0011212400000000, 0.0000299900000000 ] - [ -0.0005321700000000, 0.0012555700000000, -0.0005656900000000 ] - [ -0.0037715000000000, 0.0027775900000000, -0.0007571400000000 ] - [ 0.0002356000000000, 0.0001577500000000, -0.0000403700000000 ] - [ -0.0013398700000000, -0.0018548300000000, -0.0000196800000000 ] - [ 0.0002145200000000, -0.0021072400000000, 0.0005742100000000 ] - [ -0.0005289400000000, 0.0013298900000000, 0.0003585600000000 ] - [ -0.0005458300000000, 0.0006831000000000, 0.0003492000000000 ] - [ -0.0011611400000000, -0.0057724300000000, -0.0006810200000000 ] - [ 0.0004065000000000, -0.0018796400000000, -0.0004395600000000 ] - [ -0.0003135900000000, 0.0017445700000000, -0.0000332000000000 ] - [ 0.0003588800000000, 0.0015243600000000, 0.0002088600000000 ] - [ 0.0000848800000000, 0.0016959200000000, -0.0004038500000000 ] - [ 0.0002044500000000, 0.0009867200000000, -0.0003587800000000 ] - [ 0.0025062600000000, 0.0042775500000000, 0.0010332500000000 ] - [ -0.0006544500000000, 0.0004382000000000, 0.0000138700000000 ] - [ 0.0006607200000000, 0.0013821800000000, -0.0002986800000000 ] - [ -0.0006638900000000, 0.0004761100000000, -0.0004067700000000 ] - [ -0.0001058700000000, 0.0013922200000000, 0.0001929400000000 ] - [ 0.0005878000000000, 0.0012725600000000, 0.0003284200000000 ] - [ 0.0010126000000000, 0.0016522300000000, 0.0004804100000000 ] - [ -0.0004957800000000, 0.0013203700000000, 0.0003022300000000 ] - [ -0.0006438800000000, -0.0110113500000000, 0.0018368700000000 ] - [ -0.0002926500000000, -0.0006319900000000, -0.0001152500000000 ] - [ 0.0025710700000000, 0.0001558900000000, 0.0020775000000000 ] - [ -0.0000048100000000, -0.0006895900000000, 0.0000062400000000 ] - [ 0.0003163000000000, -0.0115174500000000, -0.0014245200000000 ] - [ -0.0005261400000000, -0.0013990200000000, 0.0000719400000000 ] - [ 0.0004637500000000, 0.0002634800000000, -0.0001239900000000 ] - [ 0.0003232900000000, -0.0000082000000000, -0.0001510300000000 ] - [ -0.0005071200000000, 0.0004121000000000, -0.0012840000000000 ] - [ 0.0011026800000000, -0.0008839500000000, 0.0004774100000000 ] - [ -0.0007143400000000, 0.0013409800000000, 0.0003197900000000 ] - [ -0.0009410900000000, 0.0002258000000000, 0.0004970300000000 ] - [ -0.0004067000000000, 0.0009680400000000, -0.0002864400000000 ] - [ -0.0005437100000000, 0.0000255900000000, -0.0002076000000000 ] - [ 0.0030702000000000, 0.0000855000000000, -0.0006899800000000 ] - [ -0.0005358000000000, -0.0008662000000000, -0.0002861000000000 ] - [ -0.0010777600000000, 0.0012577900000000, 0.0002566900000000 ] - [ 0.0014111600000000, -0.0002500900000000, -0.0003771400000000 ] - [ 0.0002268700000000, 0.0010121900000000, 0.0001224300000000 ] - [ 0.0001111200000000, 0.0007200400000000, 0.0000866000000000 ] - [ -0.0002787900000000, 0.0010007700000000, 0.0002187300000000 ] - [ -0.0003556500000000, 0.0000570300000000, 0.0000808400000000 ] - [ -0.0006969500000000, 0.0007972700000000, -0.0001080100000000 ] - [ -0.0007330500000000, -0.0003927800000000, -0.0003701900000000 ] - [ -0.0010834200000000, -0.0000560900000000, -0.0004199200000000 ] - [ -0.0000547900000000, -0.0000904100000000, 0.0000548200000000 ] - [ 0.0013601700000000, 0.0006438900000000, 0.0044899100000000 ] - [ -0.0002407600000000, 0.0003648700000000, 0.0000885700000000 ] - [ 0.0022525800000000, 0.0022703600000000, 0.0033739600000000 ] - [ 0.0002307600000000, 0.0007191700000000, 0.0000522900000000 ] - [ 0.0004446900000000, -0.0011220900000000, 0.0003692000000000 ] - [ -0.0005207000000000, -0.0009529100000000, 0.0002541300000000 ] - [ -0.0002881000000000, -0.0009151700000000, -0.0001213600000000 ] - [ -0.0001981400000000, -0.0005420800000000, -0.0001088800000000 ] - [ 0.0017365900000000, 0.0295240600000000, -0.0014938200000000 ] - [ 0.0003720900000000, 0.0001910000000000, -0.0006245600000000 ] - [ 0.0004776900000000, -0.0005879700000000, 0.0000931000000000 ] - [ -0.0003154700000000, -0.0001939000000000, -0.0001282800000000 ] - [ -0.0009251700000000, -0.0001405400000000, -0.0000671800000000 ] - [ 0.0001638500000000, 0.0002876800000000, 0.0003261400000000 ] - [ -0.0044702600000000, -0.0033486300000000, 0.0033628300000000 ] - [ -0.0002350200000000, -0.0003796800000000, -0.0002866500000000 ] - [ 0.0001895200000000, -0.0008210800000000, 0.0001278000000000 ] - [ 0.0007260100000000, -0.0001422400000000, 0.0001306500000000 ] - [ 0.0000763200000000, -0.0006315100000000, -0.0001941400000000 ] - [ 0.0001719300000000, -0.0002776900000000, -0.0001290700000000 ] - [ -0.0003041200000000, -0.0004481500000000, 0.0001910100000000 ] - [ -0.0005736700000000, -0.0001369400000000, 0.0001722800000000 ] - [ -0.0002440700000000, -0.0005728500000000, 0.0001863700000000 ] - [ 0.0004674800000000, 0.0000804400000000, 0.0002149400000000 ] - [ -0.0028258000000000, -0.0024913900000000, 0.0059116200000000 ] - [ -0.0000739000000000, 0.0004454900000000, -0.0004079500000000 ] - [ 0.0000605200000000, -0.0009497100000000, -0.0004797300000000 ] - [ 0.0005412100000000, -0.0001700800000000, -0.0001970300000000 ] - [ 0.0000730100000000, -0.0014840700000000, 0.0000136100000000 ] - [ 0.0000711900000000, -0.0005229800000000, -0.0000041900000000 ] - [ 0.0004473400000000, 0.0002479500000000, 0.0000977900000000 ] - [ -0.0014505200000000, 0.0004799500000000, -0.0002119700000000 ] - [ 0.0016304700000000, -0.0024958900000000, 0.0009775300000000 ] - [ -0.0008658300000000, -0.0001200700000000, 0.0002852900000000 ] - [ 0.0037749000000000, 0.0001239700000000, -0.0038008000000000 ] - [ -0.0001543900000000, 0.0004665200000000, -0.0000873600000000 ] - [ 0.0003653800000000, -0.0011338500000000, 0.0003181700000000 ] - [ 0.0005720300000000, -0.0010848600000000, 0.0004391100000000 ] - [ -0.0023239800000000, -0.0004849200000000, -0.0041583000000000 ] - [ 0.0001403800000000, 0.0007990100000000, -0.0001117800000000 ] - [ -0.0004097500000000, -0.0005995600000000, -0.0004819100000000 ] - [ 0.0000964500000000, -0.0000098700000000, -0.0002181100000000 ] - [ -0.0045865600000000, -0.0022718200000000, -0.0010151800000000 ] - [ -0.0003989100000000, 0.0004514700000000, 0.0000671800000000 ] - [ -0.0000212300000000, -0.0002675400000000, 0.0000609800000000 ] - [ -0.0000820800000000, -0.0002944400000000, 0.0000413900000000 ] - [ 0.0006222700000000, -0.0004918100000000, -0.0000646200000000 ] - [ 0.0006671100000000, -0.0000553000000000, -0.0000542700000000 ] - [ -0.0003689400000000, -0.0005910800000000, 0.0006248500000000 ] - [ -0.0003219300000000, -0.0004360600000000, 0.0006391900000000 ] - [ -0.0000994600000000, -0.0005461300000000, 0.0000547600000000 ] - [ 0.0000426000000000, -0.0001896400000000, 0.0000557800000000 ] - [ 0.0000026500000000, 0.0000660200000000, 0.0001386700000000 ] - [ 0.0002438200000000, 0.0000471700000000, 0.0001642800000000 ] - [ 0.0011133700000000, 0.0004638400000000, 0.0000881500000000 ] - [ -0.0003440000000000, 0.0007375900000000, -0.0004497800000000 ] - [ 0.0000255400000000, -0.0005441400000000, -0.0006262700000000 ] - [ -0.0001274900000000, -0.0002437600000000, -0.0006780400000000 ] - [ -0.0005386800000000, 0.0013959300000000, 0.0002020000000000 ] - [ 0.0005373400000000, 0.0005531500000000, 0.0002700500000000 ] - [ 0.0003835900000000, -0.0000147100000000, 0.0004423100000000 ] - [ -0.0002552000000000, 0.0003302000000000, 0.0001378700000000 ] - [ 0.0006883500000000, -0.0009147400000000, -0.0002954500000000 ] - [ 0.0007510400000000, -0.0004762900000000, -0.0002593100000000 ] - [ -0.0003159800000000, 0.0010932800000000, -0.0004543100000000 ] - [ 0.0007049800000000, 0.0004480100000000, 0.0000032400000000 ] - [ -0.0006687600000000, 0.0018194900000000, 0.0001408300000000 ] - [ -0.0003155800000000, -0.0001213700000000, 0.0002279100000000 ] - [ 0.0002975500000000, -0.0010330700000000, -0.0002324700000000 ] - [ 0.0003472400000000, -0.0009414600000000, -0.0002259700000000 ] - [ 0.0002214100000000, -0.0015537400000000, 0.0004637900000000 ] - [ -0.0001172300000000, -0.0005508200000000, -0.0004119300000000 ] - [ 0.0001089400000000, 0.0001850400000000, 0.0002858100000000 ] - [ 0.0000323000000000, 0.0001852400000000, 0.0002725600000000 ] - [ -0.0000433400000000, -0.0006325400000000, -0.0004149000000000 ] - [ -0.0001606900000000, 0.0001675000000000, -0.0001337800000000 ] - [ -0.0005513700000000, 0.0000784300000000, 0.0002822600000000 ] - [ 0.0018540600000000, -0.0004733900000000, 0.0006946600000000 ] - [ 0.0005144400000000, -0.0004380600000000, -0.0010116100000000 ] - [ -0.0001578700000000, 0.0006068500000000, -0.0002477700000000 ] - [ -0.0002536100000000, -0.0008730200000000, 0.0000814300000000 ] - [ -0.0001316200000000, -0.0005306400000000, 0.0001193500000000 ] - [ 0.0004172800000000, -0.0007079000000000, 0.0000746800000000 ] - [ 0.0002366000000000, -0.0003711300000000, -0.0000329400000000 ] - [ -0.0003261300000000, -0.0009183500000000, 0.0005140900000000 ] - [ -0.0003706200000000, -0.0001603400000000, 0.0002175400000000 ] - [ 0.0008972100000000, -0.0024928500000000, -0.0065467500000000 ] - [ 0.0002590200000000, 0.0003388300000000, 0.0007210300000000 ] - [ 0.0001629700000000, -0.0006397000000000, -0.0001514800000000 ] - [ 0.0001629100000000, -0.0000399400000000, -0.0001534500000000 ] - [ 0.0029412400000000, 0.0027628400000000, -0.0017814500000000 ] - [ 0.0002217800000000, 0.0012262700000000, -0.0002535300000000 ] - [ 0.0003732300000000, -0.0004309600000000, 0.0004706400000000 ] - [ 0.0002045000000000, -0.0001443100000000, 0.0004360000000000 ]- atom: 59 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ 0.0010989600000000, 0.0003278900000000, -0.0049692900000000 ] - [ -0.0004829300000000, 0.0002433300000000, -0.0003257100000000 ] - [ 0.0001665700000000, 0.0003774500000000, -0.0003458400000000 ] - [ -0.0000360800000000, 0.0005355100000000, -0.0001578400000000 ] - [ -0.0016082100000000, 0.0005650600000000, 0.0067541400000000 ] - [ 0.0002176700000000, 0.0007704600000000, -0.0000074800000000 ] - [ 0.0005837700000000, 0.0002294100000000, -0.0024673900000000 ] - [ -0.0021715700000000, -0.0002799600000000, -0.0003230000000000 ] - [ -0.0005045200000000, 0.0000093600000000, 0.0002817500000000 ] - [ -0.0005345900000000, -0.0000024600000000, 0.0003481500000000 ] - [ -0.0010140400000000, -0.0000860600000000, 0.0051522300000000 ] - [ 0.0020028700000000, 0.0004161800000000, -0.0000488800000000 ] - [ -0.0000065200000000, 0.0007170200000000, -0.0000862700000000 ] - [ -0.0000678100000000, 0.0006512600000000, 0.0000620000000000 ] - [ 0.0001880800000000, 0.0002955700000000, -0.0002734000000000 ] - [ 0.0002142900000000, 0.0002931600000000, -0.0003431200000000 ] - [ -0.0007244100000000, 0.0003744400000000, 0.0028592000000000 ] - [ 0.0000747200000000, 0.0002534000000000, 0.0001675700000000 ] - [ 0.0006195800000000, 0.0005430000000000, -0.0030236300000000 ] - [ -0.0003738300000000, 0.0006070200000000, -0.0003226600000000 ] - [ 0.0001675300000000, 0.0003142300000000, 0.0003620100000000 ] - [ 0.0002799400000000, 0.0003837800000000, 0.0002783800000000 ] - [ 0.0000960500000000, 0.0004948800000000, 0.0005288500000000 ] - [ 0.0003061100000000, 0.0004081300000000, 0.0002829800000000 ] - [ -0.0122950100000000, -0.0028212000000000, 0.0280647900000000 ] - [ -0.0001725000000000, 0.0000589500000000, -0.0000902600000000 ] - [ -0.0021716000000000, -0.0025677800000000, -0.0004536900000000 ] - [ 0.0005206500000000, -0.0003304900000000, -0.0000475500000000 ] - [ -0.0041711100000000, 0.0017930600000000, 0.0320586800000000 ] - [ -0.0003982300000000, -0.0006811600000000, 0.0001214700000000 ] - [ 0.0004035100000000, -0.0006912500000000, -0.0001303200000000 ] - [ 0.0003863800000000, -0.0006963400000000, -0.0001183300000000 ] - [ -0.0006540100000000, 0.0016970800000000, 0.0002533600000000 ] - [ 0.0007631700000000, -0.0007081300000000, 0.0001667200000000 ] - [ -0.0009216800000000, 0.0003838900000000, 0.0005310700000000 ] - [ -0.0008641900000000, -0.0000821900000000, 0.0005232600000000 ] - [ -0.0004655600000000, -0.0000457800000000, -0.0001149500000000 ] - [ -0.0004910000000000, -0.0003643700000000, -0.0001631400000000 ] - [ 0.0027904100000000, 0.0017774800000000, 0.0007020900000000 ] - [ 0.0002148100000000, -0.0003000600000000, 0.0001657100000000 ] - [ 0.0021823100000000, -0.0025875600000000, 0.0002572900000000 ] - [ 0.0008345800000000, -0.0000926900000000, -0.0003342600000000 ] - [ 0.0001315700000000, 0.0000273200000000, 0.0000853600000000 ] - [ 0.0001555200000000, 0.0000404200000000, 0.0000833600000000 ] - [ -0.0003877000000000, -0.0006397500000000, 0.0000998200000000 ] - [ -0.0002955900000000, -0.0003528700000000, 0.0000673000000000 ] - [ -0.0006382800000000, -0.0011214600000000, -0.0003562000000000 ] - [ -0.0007062600000000, -0.0006902500000000, -0.0003632100000000 ] - [ -0.0004295800000000, 0.0001920400000000, -0.0000494200000000 ] - [ -0.0006107700000000, 0.0000301700000000, 0.0000860800000000 ] - [ 0.0039637300000000, -0.0049411400000000, 0.0082921900000000 ] - [ -0.0001456000000000, -0.0000075100000000, 0.0003309400000000 ] - [ 0.0053085300000000, -0.0029303800000000, 0.0048788400000000 ] - [ 0.0000327500000000, 0.0002004500000000, 0.0001344600000000 ] - [ -0.0001070900000000, -0.0004714000000000, 0.0003456200000000 ] - [ -0.0000210300000000, -0.0006137500000000, 0.0002956800000000 ] - [ -0.0001908400000000, -0.0001938400000000, -0.0001245300000000 ] - [ -0.0001968100000000, -0.0002139200000000, -0.0001195800000000 ] - [ 0.0285313700000000, 0.0013140200000000, -0.1099867300000000 ] - [ 0.0002237000000000, -0.0001265100000000, -0.0006650600000000 ] - [ -0.0004456100000000, -0.0003019100000000, 0.0010889700000000 ] - [ 0.0000882700000000, -0.0001678900000000, 0.0000307100000000 ] - [ -0.0004037900000000, 0.0001753900000000, 0.0014098600000000 ] - [ -0.0000223000000000, 0.0000879400000000, 0.0001959400000000 ] - [ -0.0039962800000000, -0.0059495700000000, 0.0013797200000000 ] - [ -0.0004117300000000, -0.0006372200000000, -0.0004427400000000 ] - [ 0.0004699600000000, -0.0002094000000000, 0.0000609700000000 ] - [ 0.0005763800000000, 0.0000333200000000, 0.0000369400000000 ] - [ 0.0001635700000000, 0.0000219800000000, -0.0001307900000000 ] - [ 0.0001671700000000, -0.0000148800000000, -0.0001282300000000 ] - [ -0.0004111100000000, 0.0002516200000000, 0.0002351600000000 ] - [ -0.0003868400000000, 0.0001791200000000, 0.0002293700000000 ] - [ -0.0000493700000000, -0.0002913100000000, -0.0000803100000000 ] - [ 0.0001312400000000, 0.0002154100000000, 0.0001031900000000 ] - [ -0.0032306600000000, -0.0084799800000000, 0.0066936800000000 ] - [ -0.0002193000000000, 0.0001337300000000, -0.0004542800000000 ] - [ 0.0005903300000000, 0.0004456000000000, -0.0003830700000000 ] - [ 0.0003341200000000, -0.0000990500000000, -0.0002127700000000 ] - [ 0.0001119800000000, -0.0003372600000000, -0.0002000100000000 ] - [ 0.0000543100000000, -0.0003519800000000, -0.0000038000000000 ] - [ -0.0011039000000000, 0.0000869100000000, -0.0003938000000000 ] - [ -0.0003237000000000, -0.0001167400000000, -0.0006954700000000 ] - [ -0.0002609000000000, -0.0003234600000000, -0.0013925300000000 ] - [ -0.0007566700000000, -0.0003636300000000, 0.0002696400000000 ] - [ -0.0072225100000000, 0.0056280200000000, 0.0053854500000000 ] - [ 0.0000594200000000, 0.0000918000000000, -0.0001705100000000 ] - [ 0.0004576500000000, -0.0005980700000000, 0.0003799500000000 ] - [ 0.0004203400000000, -0.0006403600000000, 0.0003961800000000 ] - [ 0.0025932500000000, 0.0043914700000000, 0.0026839800000000 ] - [ -0.0001286700000000, 0.0005407000000000, -0.0000776300000000 ] - [ -0.0000309400000000, 0.0002773800000000, -0.0002544700000000 ] - [ -0.0000898900000000, 0.0001583000000000, -0.0002195600000000 ] - [ -0.0000323300000000, 0.0002668100000000, -0.0020803800000000 ] - [ -0.0008005700000000, 0.0002431900000000, 0.0000246100000000 ] - [ -0.0001227500000000, 0.0001928900000000, 0.0000112900000000 ] - [ -0.0001146500000000, 0.0001883500000000, -0.0000083600000000 ] - [ 0.0006296200000000, 0.0001670500000000, 0.0000842400000000 ] - [ 0.0006702000000000, 0.0001758000000000, -0.0000553900000000 ] - [ -0.0003188600000000, -0.0001273900000000, 0.0006679700000000 ] - [ -0.0003102000000000, -0.0001256000000000, 0.0006394100000000 ] - [ 0.0000422200000000, 0.0000304200000000, 0.0000487900000000 ] - [ 0.0000326800000000, 0.0000773400000000, 0.0000520900000000 ] - [ 0.0000814700000000, 0.0005232300000000, 0.0001522100000000 ] - [ 0.0001127700000000, 0.0005399200000000, 0.0001259200000000 ] - [ 0.0012091100000000, -0.0000105300000000, -0.0002005500000000 ] - [ 0.0001320000000000, 0.0001514100000000, 0.0004006600000000 ] - [ -0.0000704700000000, -0.0000271800000000, -0.0006790600000000 ] - [ -0.0001090900000000, 0.0000357600000000, -0.0006689200000000 ] - [ -0.0011570100000000, -0.0003759900000000, -0.0000587700000000 ] - [ 0.0004846800000000, -0.0002589000000000, -0.0005472600000000 ] - [ 0.0001080400000000, 0.0004152500000000, 0.0002334500000000 ] - [ -0.0000257300000000, 0.0005505800000000, 0.0002808900000000 ] - [ 0.0006544800000000, -0.0003007900000000, -0.0001022900000000 ] - [ 0.0007095900000000, -0.0002979500000000, -0.0002788500000000 ] - [ 0.0011984600000000, -0.0000373400000000, 0.0001832300000000 ] - [ 0.0000614800000000, -0.0002385500000000, 0.0007006700000000 ] - [ -0.0017444900000000, -0.0005108300000000, 0.0054706400000000 ] - [ -0.0002910300000000, -0.0005287100000000, 0.0002401200000000 ] - [ 0.0003619900000000, -0.0005163900000000, -0.0002456100000000 ] - [ 0.0003467900000000, -0.0005229100000000, -0.0002207900000000 ] - [ 0.0003629300000000, -0.0011016200000000, -0.0003595800000000 ] - [ 0.0000076600000000, -0.0006056500000000, -0.0003310100000000 ] - [ 0.0000299300000000, 0.0006119500000000, 0.0002837900000000 ] - [ 0.0000121300000000, 0.0006123800000000, 0.0002971900000000 ] - [ -0.0000650200000000, 0.0009797000000000, 0.0000182100000000 ] - [ -0.0001104200000000, 0.0002186600000000, -0.0001319700000000 ] - [ -0.0000517700000000, -0.0000135700000000, 0.0002052600000000 ] - [ 0.0000968400000000, 0.0001719500000000, 0.0000401600000000 ] - [ -0.0003278900000000, 0.0010141800000000, -0.0003403100000000 ] - [ -0.0000002400000000, 0.0005565500000000, -0.0002557000000000 ] - [ -0.0002015000000000, -0.0002425100000000, 0.0001105100000000 ] - [ -0.0001956200000000, -0.0001977200000000, 0.0001101400000000 ] - [ 0.0003923600000000, -0.0001534200000000, -0.0000060900000000 ] - [ 0.0003864600000000, -0.0000682200000000, -0.0000018800000000 ] - [ -0.0003508400000000, -0.0007606800000000, 0.0004290500000000 ] - [ -0.0003274600000000, -0.0000942000000000, 0.0002523600000000 ] - [ -0.0007772200000000, 0.0091682000000000, 0.0095065500000000 ] - [ 0.0001160900000000, 0.0000240900000000, 0.0006914100000000 ] - [ 0.0001589600000000, 0.0001422800000000, -0.0003414300000000 ] - [ 0.0000858900000000, 0.0001720100000000, -0.0001754300000000 ] - [ -0.0067655300000000, 0.0033863200000000, 0.0012230900000000 ] - [ 0.0000062900000000, 0.0006216300000000, -0.0004190300000000 ] - [ 0.0002217900000000, 0.0002099000000000, 0.0004344300000000 ] - [ 0.0002338300000000, 0.0001477100000000, 0.0004409600000000 ]- atom: 59 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0014882600000000, 0.0002943800000000, 0.0044605000000000 ] - [ 0.0000752800000000, 0.0003946500000000, -0.0001847900000000 ] - [ 0.0000424200000000, 0.0003695600000000, 0.0000809900000000 ] - [ 0.0002466900000000, 0.0002131400000000, -0.0001087900000000 ] - [ 0.0016468400000000, 0.0009242900000000, -0.0068992500000000 ] - [ -0.0001538900000000, 0.0006849800000000, -0.0001379900000000 ] - [ -0.0010104700000000, 0.0003553400000000, 0.0031544100000000 ] - [ 0.0017662200000000, 0.0008688000000000, 0.0010098700000000 ] - [ -0.0005439900000000, -0.0000038100000000, 0.0004198900000000 ] - [ -0.0005140400000000, 0.0000077300000000, 0.0003536000000000 ] - [ 0.0020945500000000, 0.0000844400000000, -0.0058470400000000 ] - [ -0.0009541600000000, -0.0004109600000000, -0.0006491200000000 ] - [ -0.0000572900000000, 0.0007398300000000, 0.0002283900000000 ] - [ 0.0000054500000000, 0.0008043400000000, 0.0000801700000000 ] - [ 0.0002200100000000, 0.0002952300000000, -0.0004211200000000 ] - [ 0.0001946200000000, 0.0002962200000000, -0.0003514400000000 ] - [ 0.0005059600000000, 0.0003604600000000, -0.0025976400000000 ] - [ -0.0002860900000000, 0.0004947000000000, 0.0000941800000000 ] - [ -0.0009914500000000, 0.0004908200000000, 0.0025078800000000 ] - [ -0.0000032900000000, 0.0004161700000000, -0.0001934900000000 ] - [ 0.0002397300000000, 0.0003236000000000, 0.0001501600000000 ] - [ 0.0001277500000000, 0.0002549900000000, 0.0002342700000000 ] - [ 0.0002812100000000, 0.0005327400000000, -0.0000126600000000 ] - [ 0.0000691800000000, 0.0006160700000000, 0.0002350400000000 ] - [ 0.0107183100000000, 0.0025326700000000, -0.0258251300000000 ] - [ -0.0001268200000000, 0.0000148200000000, -0.0000941700000000 ] - [ 0.0031303000000000, 0.0018520300000000, 0.0008129000000000 ] - [ 0.0004625500000000, -0.0003784200000000, 0.0003919200000000 ] - [ 0.0034970100000000, -0.0035136200000000, -0.0347817800000000 ] - [ -0.0003739500000000, -0.0007124400000000, 0.0001355800000000 ] - [ 0.0003699500000000, -0.0007012500000000, -0.0001312000000000 ] - [ 0.0003866800000000, -0.0006970400000000, -0.0001431200000000 ] - [ 0.0020502800000000, -0.0030602700000000, 0.0004767600000000 ] - [ 0.0006429100000000, -0.0006629500000000, 0.0005515100000000 ] - [ -0.0008012800000000, -0.0005416100000000, 0.0005181900000000 ] - [ -0.0008602700000000, -0.0000742600000000, 0.0005283300000000 ] - [ -0.0005133600000000, -0.0006621200000000, -0.0002251300000000 ] - [ -0.0004875300000000, -0.0003453800000000, -0.0001776000000000 ] - [ -0.0022026900000000, -0.0024625900000000, -0.0008678800000000 ] - [ 0.0003761400000000, -0.0003834500000000, -0.0003080000000000 ] - [ -0.0004578400000000, 0.0024321000000000, -0.0013338100000000 ] - [ 0.0008906400000000, -0.0000731800000000, -0.0007255700000000 ] - [ 0.0001680600000000, 0.0000519300000000, 0.0001057800000000 ] - [ 0.0001446500000000, 0.0000385100000000, 0.0001066200000000 ] - [ -0.0002100800000000, -0.0000462900000000, 0.0000493400000000 ] - [ -0.0003022400000000, -0.0003343200000000, 0.0000831500000000 ] - [ -0.0007680200000000, -0.0002497600000000, -0.0003689500000000 ] - [ -0.0006983500000000, -0.0006793600000000, -0.0003650200000000 ] - [ -0.0006894800000000, -0.0001273700000000, -0.0001173500000000 ] - [ -0.0005108000000000, 0.0000375800000000, -0.0002507600000000 ] - [ -0.0042440800000000, 0.0048423900000000, -0.0079482300000000 ] - [ -0.0001919000000000, -0.0000245900000000, -0.0000750300000000 ] - [ -0.0051226200000000, 0.0033251200000000, -0.0049058000000000 ] - [ 0.0001999700000000, 0.0001754700000000, -0.0001553800000000 ] - [ 0.0000766300000000, -0.0007514500000000, 0.0004052100000000 ] - [ -0.0000090500000000, -0.0006083100000000, 0.0004532900000000 ] - [ -0.0002014300000000, -0.0002419500000000, -0.0001236000000000 ] - [ -0.0001954600000000, -0.0002215300000000, -0.0001288600000000 ] - [ -0.0266942500000000, -0.0010128300000000, 0.1093304500000000 ] - [ 0.0004006900000000, -0.0001288500000000, -0.0006133800000000 ] - [ 0.0003218800000000, -0.0004019600000000, -0.0010864200000000 ] - [ -0.0002170800000000, -0.0005292200000000, -0.0000287800000000 ] - [ 0.0002044200000000, 0.0001250800000000, -0.0010703900000000 ] - [ -0.0001841200000000, 0.0002078700000000, 0.0001424200000000 ] - [ 0.0031246200000000, 0.0046533800000000, -0.0021154000000000 ] - [ -0.0004453100000000, -0.0006306100000000, -0.0002797800000000 ] - [ 0.0006482700000000, 0.0002735300000000, 0.0001001700000000 ] - [ 0.0005420500000000, 0.0000323900000000, 0.0001256300000000 ] - [ 0.0001723700000000, -0.0000545100000000, -0.0001269500000000 ] - [ 0.0001688300000000, -0.0000174100000000, -0.0001294500000000 ] - [ -0.0003741700000000, 0.0000985000000000, 0.0002340300000000 ] - [ -0.0003987800000000, 0.0001709700000000, 0.0002402100000000 ] - [ 0.0003137700000000, 0.0007131600000000, 0.0003520600000000 ] - [ 0.0001334600000000, 0.0002054500000000, 0.0001644200000000 ] - [ 0.0027886500000000, 0.0089009600000000, -0.0076782000000000 ] - [ -0.0002586700000000, 0.0001577500000000, -0.0004491000000000 ] - [ 0.0001079700000000, -0.0006567300000000, -0.0000956700000000 ] - [ 0.0003611700000000, -0.0001124600000000, -0.0002625200000000 ] - [ 0.0000158100000000, -0.0003633100000000, 0.0001973300000000 ] - [ 0.0000732700000000, -0.0003455000000000, 0.0000012100000000 ] - [ 0.0003334400000000, -0.0002254400000000, 0.0004245100000000 ] - [ -0.0004451000000000, -0.0000221400000000, 0.0007177200000000 ] - [ -0.0011479800000000, -0.0002562300000000, 0.0019533100000000 ] - [ -0.0006440800000000, -0.0002308100000000, 0.0002928200000000 ] - [ 0.0072384500000000, -0.0055493300000000, -0.0055464700000000 ] - [ -0.0001277900000000, 0.0000619900000000, 0.0000629500000000 ] - [ 0.0003986000000000, -0.0006706800000000, 0.0003405100000000 ] - [ 0.0004357800000000, -0.0006284200000000, 0.0003246700000000 ] - [ -0.0028253000000000, -0.0033180400000000, -0.0029951400000000 ] - [ -0.0000831000000000, 0.0005492100000000, -0.0002376500000000 ] - [ -0.0001323900000000, 0.0000298400000000, -0.0002684700000000 ] - [ -0.0000722900000000, 0.0001500700000000, -0.0003046700000000 ] - [ -0.0013203000000000, 0.0000507500000000, 0.0021862500000000 ] - [ -0.0005291700000000, 0.0001061100000000, 0.0000874200000000 ] - [ -0.0001090900000000, 0.0001813700000000, 0.0000089100000000 ] - [ -0.0001172600000000, 0.0001857800000000, 0.0000283500000000 ] - [ 0.0006993600000000, 0.0001807900000000, -0.0001985500000000 ] - [ 0.0006585800000000, 0.0001728800000000, -0.0000590300000000 ] - [ -0.0003068900000000, -0.0001287100000000, 0.0006096800000000 ] - [ -0.0003156700000000, -0.0001304600000000, 0.0006382600000000 ] - [ 0.0000254800000000, 0.0001218500000000, 0.0000584100000000 ] - [ 0.0000349300000000, 0.0000747800000000, 0.0000547200000000 ] - [ 0.0001303900000000, 0.0005667000000000, 0.0001623600000000 ] - [ 0.0000993100000000, 0.0005498200000000, 0.0001884500000000 ] - [ -0.0004179100000000, 0.0003625900000000, -0.0002774800000000 ] - [ 0.0006508600000000, 0.0001980800000000, -0.0008730000000000 ] - [ -0.0001305800000000, 0.0000924700000000, -0.0006721300000000 ] - [ -0.0000926400000000, 0.0000298400000000, -0.0006820400000000 ] - [ 0.0015506500000000, -0.0000582900000000, 0.0003177800000000 ] - [ -0.0000918400000000, -0.0001759300000000, 0.0007950500000000 ] - [ -0.0000708500000000, 0.0006814900000000, 0.0001857400000000 ] - [ 0.0000615100000000, 0.0005460400000000, 0.0001399200000000 ] - [ 0.0007456000000000, -0.0002929000000000, -0.0004619000000000 ] - [ 0.0006903500000000, -0.0002963800000000, -0.0002854100000000 ] - [ -0.0007985800000000, -0.0003635200000000, -0.0004209300000000 ] - [ 0.0003303200000000, -0.0001628800000000, -0.0009308800000000 ] - [ 0.0010264100000000, -0.0005260700000000, -0.0050368600000000 ] - [ -0.0004167900000000, -0.0005090000000000, 0.0001959000000000 ] - [ 0.0003452300000000, -0.0005217800000000, -0.0001926500000000 ] - [ 0.0003603300000000, -0.0005154000000000, -0.0002177000000000 ] - [ -0.0003358700000000, -0.0001196700000000, -0.0003843600000000 ] - [ 0.0000232200000000, -0.0006171800000000, -0.0004194700000000 ] - [ 0.0000115100000000, 0.0006113500000000, 0.0002747000000000 ] - [ 0.0000292200000000, 0.0006108100000000, 0.0002614600000000 ] - [ -0.0001985900000000, -0.0005616600000000, -0.0002850500000000 ] - [ -0.0001519400000000, 0.0002026000000000, -0.0001373700000000 ] - [ 0.0002118900000000, 0.0003210200000000, 0.0003202400000000 ] - [ 0.0000727200000000, 0.0001328200000000, 0.0004846400000000 ] - [ 0.0002911500000000, 0.0000846800000000, -0.0000903400000000 ] - [ -0.0000373400000000, 0.0005404000000000, -0.0001660500000000 ] - [ -0.0001944700000000, -0.0001594700000000, 0.0001173700000000 ] - [ -0.0002006700000000, -0.0002039600000000, 0.0001177200000000 ] - [ 0.0003791600000000, 0.0000122500000000, -0.0000159900000000 ] - [ 0.0003853900000000, -0.0000728600000000, -0.0000205800000000 ] - [ -0.0003454100000000, 0.0005464200000000, 0.0000419300000000 ] - [ -0.0003697200000000, -0.0001172200000000, 0.0002209000000000 ] - [ 0.0009697300000000, -0.0089555800000000, -0.0080415400000000 ] - [ 0.0000837700000000, 0.0000416500000000, 0.0006578200000000 ] - [ 0.0000467200000000, 0.0001537000000000, 0.0000028700000000 ] - [ 0.0001194400000000, 0.0001234800000000, -0.0001630400000000 ] - [ 0.0066840500000000, -0.0021456000000000, -0.0018003900000000 ] - [ -0.0000561900000000, 0.0005983000000000, -0.0001416900000000 ] - [ 0.0002550300000000, 0.0000793200000000, 0.0004681100000000 ] - [ 0.0002425300000000, 0.0001418400000000, 0.0004611700000000 ]- atom: 61 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0004449800000000, 0.0009152600000000, -0.0003873700000000 ] - [ -0.0003344100000000, -0.0003865900000000, -0.0001367800000000 ] - [ 0.0003760500000000, 0.0002690300000000, -0.0000771300000000 ] - [ -0.0001703300000000, 0.0003377100000000, -0.0001988800000000 ] - [ -0.0000518500000000, 0.0011749900000000, -0.0000277400000000 ] - [ -0.0000665500000000, 0.0002227500000000, -0.0002299700000000 ] - [ 0.0059726000000000, 0.0016552000000000, -0.0002925700000000 ] - [ -0.0013505500000000, 0.0005414700000000, 0.0001443200000000 ] - [ -0.0005377300000000, -0.0006631200000000, 0.0003016400000000 ] - [ -0.0006780700000000, 0.0004020800000000, 0.0003850800000000 ] - [ 0.0027071400000000, -0.0004212100000000, 0.0014241200000000 ] - [ -0.0004047900000000, 0.0001502800000000, -0.0006805700000000 ] - [ 0.0043780000000000, 0.0023684300000000, -0.0002779900000000 ] - [ -0.0011539000000000, 0.0004632700000000, -0.0001735100000000 ] - [ 0.0001136400000000, -0.0001348700000000, -0.0003289500000000 ] - [ 0.0002254000000000, 0.0006025400000000, -0.0004054800000000 ] - [ -0.0017219200000000, 0.0006132900000000, 0.0001104200000000 ] - [ -0.0012410600000000, 0.0012429700000000, -0.0032484000000000 ] - [ -0.0041082600000000, 0.0008354000000000, -0.0019935500000000 ] - [ -0.0043993300000000, 0.0012945200000000, 0.0011331600000000 ] - [ 0.0011052500000000, 0.0011941500000000, 0.0014193300000000 ] - [ -0.0007310700000000, -0.0000608300000000, -0.0000448300000000 ] - [ 0.0004706800000000, 0.0004459700000000, 0.0003528900000000 ] - [ -0.0000964100000000, 0.0004604300000000, 0.0001753700000000 ] - [ -0.0002184200000000, 0.0011320700000000, -0.0004785300000000 ] - [ -0.0008951700000000, -0.0005025500000000, -0.0001437300000000 ] - [ 0.0011702300000000, -0.0004869000000000, 0.0004018900000000 ] - [ 0.0000533100000000, -0.0003896600000000, 0.0000478300000000 ] - [ -0.0017733600000000, 0.0011465100000000, 0.0002600100000000 ] - [ -0.0015851200000000, -0.0018088100000000, -0.0002506200000000 ] - [ 0.0009639900000000, -0.0009117000000000, 0.0000214900000000 ] - [ -0.0000268400000000, -0.0006915400000000, -0.0002576400000000 ] - [ 0.0107552500000000, -0.0002975700000000, 0.0004432700000000 ] - [ -0.0004703700000000, -0.0007008600000000, 0.0000393100000000 ] - [ -0.0007127400000000, -0.0001220000000000, 0.0005692400000000 ] - [ -0.0010250500000000, -0.0001266100000000, 0.0004815400000000 ] - [ -0.0005310000000000, -0.0024038800000000, -0.0006489300000000 ] - [ -0.0010857700000000, 0.0001795800000000, -0.0003277000000000 ] - [ 0.0009715500000000, -0.0003511000000000, 0.0000830000000000 ] - [ -0.0001463100000000, -0.0004006200000000, -0.0001836800000000 ] - [ 0.0149695200000000, 0.0000971100000000, -0.0070641400000000 ] - [ -0.0004169300000000, -0.0000614800000000, -0.0008800700000000 ] - [ 0.0006974600000000, -0.0000114500000000, 0.0002305400000000 ] - [ -0.0002554700000000, 0.0000166000000000, 0.0000081100000000 ] - [ -0.0010095100000000, -0.0031594700000000, 0.0004299600000000 ] - [ -0.0015906500000000, 0.0006318100000000, -0.0003452500000000 ] - [ -0.0005517200000000, -0.0007326200000000, -0.0003280400000000 ] - [ -0.0008553400000000, -0.0007349100000000, -0.0004030100000000 ] - [ -0.0007166600000000, 0.0002025100000000, -0.0001454600000000 ] - [ -0.0003851500000000, -0.0000266700000000, -0.0000264100000000 ] - [ -0.0022399600000000, -0.0023889600000000, 0.0018731200000000 ] - [ 0.0004378900000000, -0.0000335400000000, 0.0003031400000000 ] - [ 0.0004088800000000, -0.0001414100000000, 0.0000028100000000 ] - [ 0.0004153900000000, 0.0008746200000000, 0.0001839800000000 ] - [ -0.0035905700000000, -0.0008847600000000, 0.0005766200000000 ] - [ 0.0006262600000000, -0.0005846000000000, 0.0005497000000000 ] - [ -0.0000541000000000, 0.0002952500000000, -0.0001566400000000 ] - [ -0.0001074500000000, -0.0007185700000000, -0.0000576500000000 ] - [ 0.0004075700000000, -0.0006704500000000, -0.0010096400000000 ] - [ 0.0006827700000000, 0.0001237900000000, -0.0003823400000000 ] - [ -0.0374219500000000, -0.0031789700000000, 0.0175644100000000 ] - [ 0.0004945400000000, -0.0003436900000000, 0.0000912400000000 ] - [ -0.0003610000000000, 0.0001863100000000, 0.0001362800000000 ] - [ 0.0000810800000000, 0.0001917700000000, 0.0002064700000000 ] - [ -0.0001580000000000, -0.0011344700000000, 0.0000857700000000 ] - [ 0.0001129400000000, -0.0002531300000000, -0.0004415800000000 ] - [ 0.0013835900000000, 0.0005099400000000, 0.0004972300000000 ] - [ 0.0006605200000000, -0.0005528600000000, -0.0001920800000000 ] - [ 0.0000198800000000, 0.0000764900000000, -0.0001618000000000 ] - [ 0.0003101400000000, -0.0000419400000000, -0.0000923100000000 ] - [ -0.0003246100000000, 0.0002851100000000, 0.0002684900000000 ] - [ -0.0004389600000000, 0.0001247300000000, 0.0002157300000000 ] - [ -0.0000504800000000, 0.0002168700000000, 0.0000715200000000 ] - [ 0.0002901200000000, 0.0002398700000000, 0.0001915800000000 ] - [ -0.0004484900000000, -0.0004129800000000, -0.0005452800000000 ] - [ 0.0000777000000000, 0.0003951200000000, -0.0003442400000000 ] - [ 0.0001632300000000, -0.0000912000000000, -0.0002763500000000 ] - [ 0.0005095200000000, -0.0000778200000000, -0.0002082500000000 ] - [ 0.0000149200000000, -0.0003179500000000, -0.0000195800000000 ] - [ 0.0001130600000000, -0.0003254100000000, 0.0000171800000000 ] - [ -0.0032520200000000, 0.0012608300000000, 0.0025969900000000 ] - [ 0.0003050200000000, -0.0002674200000000, 0.0001494200000000 ] - [ -0.0018298200000000, -0.0005932200000000, -0.0015093100000000 ] - [ -0.0001813000000000, -0.0002644300000000, 0.0004946300000000 ] - [ 0.0027847000000000, -0.0066486700000000, -0.0042801500000000 ] - [ 0.0007512500000000, 0.0001054400000000, 0.0001076400000000 ] - [ 0.0002955600000000, -0.0006096500000000, 0.0003199600000000 ] - [ 0.0005435600000000, -0.0006167500000000, 0.0003931900000000 ] - [ 0.0008191800000000, 0.0000555700000000, -0.0001872400000000 ] - [ 0.0021367400000000, 0.0020237500000000, 0.0008664500000000 ] - [ 0.0011749300000000, 0.0006978000000000, -0.0000886700000000 ] - [ 0.0019894800000000, -0.0023707200000000, 0.0005266200000000 ] - [ -0.0009956000000000, 0.0002425000000000, -0.0000699400000000 ] - [ -0.0004484800000000, 0.0001805100000000, 0.0001279000000000 ] - [ -0.0004087900000000, -0.0000111200000000, -0.0000424900000000 ] - [ 0.0001477200000000, 0.0002995900000000, 0.0000791900000000 ] - [ 0.0007569700000000, 0.0013089100000000, 0.0001578200000000 ] - [ 0.0010843000000000, -0.0001967200000000, -0.0001292400000000 ] - [ -0.0006749500000000, -0.0001199500000000, 0.0005927400000000 ] - [ -0.0000814400000000, -0.0001211800000000, 0.0006907500000000 ] - [ -0.0001067000000000, 0.0001864000000000, 0.0000099700000000 ] - [ 0.0001862500000000, 0.0000431300000000, 0.0000971600000000 ] - [ -0.0000393800000000, 0.0005501600000000, 0.0001237400000000 ] - [ 0.0002436700000000, 0.0005883400000000, 0.0001931900000000 ] - [ 0.0036687200000000, 0.0046649100000000, -0.0072015400000000 ] - [ 0.0012553600000000, -0.0001430100000000, 0.0000576300000000 ] - [ -0.0009995200000000, 0.0003391700000000, -0.0008213500000000 ] - [ 0.0003240800000000, -0.0000781100000000, -0.0005773600000000 ] - [ -0.0007938600000000, 0.0001364900000000, 0.0006625100000000 ] - [ 0.0004861900000000, -0.0003015400000000, 0.0001527100000000 ] - [ 0.0001251800000000, -0.0041167700000000, -0.0051470200000000 ] - [ 0.0006305500000000, 0.0005967000000000, 0.0003702000000000 ] - [ 0.0006076300000000, -0.0002405600000000, -0.0003018000000000 ] - [ 0.0007845600000000, -0.0002998100000000, -0.0002628500000000 ] - [ -0.0001530700000000, 0.0003836400000000, -0.0007563600000000 ] - [ 0.0004826600000000, -0.0002935000000000, -0.0000020600000000 ] - [ -0.0000131200000000, -0.0013385800000000, 0.0005653500000000 ] - [ 0.0001000300000000, -0.0000011300000000, 0.0001121800000000 ] - [ 0.0001004500000000, -0.0005809500000000, -0.0003223700000000 ] - [ 0.0005354400000000, -0.0004483800000000, -0.0001638800000000 ] - [ 0.0000499500000000, -0.0007282100000000, -0.0003810400000000 ] - [ 0.0000188300000000, -0.0004395900000000, -0.0003559200000000 ] - [ -0.0002486400000000, 0.0002950700000000, 0.0002029200000000 ] - [ 0.0003009000000000, 0.0007356100000000, 0.0003498800000000 ] - [ 0.0071467100000000, 0.0042778800000000, -0.0036662500000000 ] - [ 0.0008020800000000, 0.0001173000000000, 0.0002105100000000 ] - [ -0.0000857700000000, 0.0002650800000000, 0.0002341300000000 ] - [ 0.0002511900000000, 0.0001154000000000, 0.0003016100000000 ] - [ -0.0000216400000000, 0.0004376900000000, -0.0001950800000000 ] - [ 0.0000070300000000, 0.0007082500000000, -0.0002259900000000 ] - [ -0.0000285800000000, 0.0002170400000000, 0.0002157300000000 ] - [ -0.0001739000000000, -0.0004776900000000, 0.0000983000000000 ] - [ 0.0004531000000000, 0.0000498600000000, -0.0000117500000000 ] - [ 0.0003493700000000, -0.0001313500000000, -0.0000132000000000 ] - [ 0.0019145100000000, 0.0038166400000000, 0.0066866000000000 ] - [ 0.0003984700000000, -0.0002275500000000, 0.0002530100000000 ] - [ -0.0001744400000000, -0.0003382200000000, 0.0006312500000000 ] - [ 0.0003771000000000, 0.0002216600000000, 0.0007133400000000 ] - [ 0.0002766100000000, 0.0008590100000000, -0.0003929700000000 ] - [ 0.0005045400000000, -0.0002544700000000, 0.0001748200000000 ] - [ 0.0002280900000000, 0.0003425000000000, -0.0001599200000000 ] - [ -0.0000473900000000, 0.0009355200000000, -0.0003686300000000 ] - [ -0.0005385100000000, 0.0008271800000000, 0.0000914400000000 ] - [ 0.0006964900000000, -0.0000022800000000, 0.0005998000000000 ]- atom: 61 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0000357400000000, -0.0002773400000000, -0.0001249700000000 ] - [ -0.0000703500000000, 0.0010239700000000, -0.0003757700000000 ] - [ -0.0001652000000000, 0.0004787000000000, -0.0001861600000000 ] - [ 0.0003802000000000, 0.0004102000000000, -0.0000641700000000 ] - [ 0.0001128900000000, 0.0002794100000000, -0.0001163800000000 ] - [ 0.0001307500000000, 0.0012313200000000, 0.0000879900000000 ] - [ -0.0063733800000000, -0.0010171300000000, 0.0009941900000000 ] - [ 0.0009405300000000, 0.0000448900000000, 0.0005489300000000 ] - [ -0.0005121900000000, 0.0006681400000000, 0.0004004400000000 ] - [ -0.0003676400000000, -0.0003974700000000, 0.0003183700000000 ] - [ -0.0016571300000000, 0.0004291500000000, -0.0021255700000000 ] - [ 0.0014520500000000, -0.0001480000000000, -0.0000219000000000 ] - [ -0.0044266100000000, -0.0009437000000000, 0.0004243200000000 ] - [ 0.0010924000000000, 0.0009932900000000, 0.0003168400000000 ] - [ 0.0002949300000000, 0.0007243600000000, -0.0003654100000000 ] - [ 0.0001870500000000, -0.0000140700000000, -0.0002879200000000 ] - [ 0.0015146800000000, 0.0001318500000000, 0.0001462300000000 ] - [ 0.0010429900000000, -0.0004916700000000, 0.0034879600000000 ] - [ 0.0037457700000000, 0.0001873700000000, 0.0014936600000000 ] - [ 0.0039996500000000, -0.0002672600000000, -0.0016276200000000 ] - [ -0.0006971100000000, -0.0005635700000000, -0.0009042800000000 ] - [ 0.0011384200000000, 0.0007008300000000, 0.0005572900000000 ] - [ -0.0000935200000000, 0.0005762100000000, 0.0001632300000000 ] - [ 0.0004729200000000, 0.0005621700000000, 0.0003408500000000 ] - [ -0.0000969400000000, -0.0010541100000000, 0.0002902200000000 ] - [ 0.0005936500000000, 0.0005757600000000, -0.0000405900000000 ] - [ -0.0001911900000000, -0.0002203000000000, -0.0000583500000000 ] - [ 0.0009263800000000, -0.0003216900000000, 0.0002945000000000 ] - [ 0.0010026400000000, -0.0025450400000000, -0.0000038100000000 ] - [ 0.0008122600000000, 0.0004056000000000, 0.0005075400000000 ] - [ -0.0001913900000000, -0.0004834500000000, -0.0002821100000000 ] - [ 0.0008015600000000, -0.0007004600000000, -0.0000031900000000 ] - [ -0.0093490900000000, -0.0010752900000000, 0.0003656100000000 ] - [ 0.0018757500000000, -0.0006712000000000, 0.0006786700000000 ] - [ -0.0010125100000000, -0.0000351800000000, 0.0004831200000000 ] - [ -0.0006982400000000, -0.0000305000000000, 0.0005710500000000 ] - [ -0.0004521100000000, 0.0016896900000000, 0.0003056200000000 ] - [ 0.0001109900000000, -0.0008896600000000, -0.0000101600000000 ] - [ -0.0003816700000000, -0.0003320000000000, -0.0002232400000000 ] - [ 0.0007376900000000, -0.0002842300000000, 0.0000439900000000 ] - [ -0.0134116800000000, -0.0002567400000000, 0.0065206900000000 ] - [ 0.0021408900000000, -0.0001040400000000, -0.0001800900000000 ] - [ -0.0003979100000000, 0.0000877600000000, -0.0000394300000000 ] - [ 0.0005566000000000, 0.0000627700000000, 0.0001837500000000 ] - [ 0.0004140600000000, 0.0024864800000000, -0.0002812600000000 ] - [ 0.0009916100000000, -0.0013161400000000, 0.0004926200000000 ] - [ -0.0008558100000000, -0.0006380700000000, -0.0003994700000000 ] - [ -0.0005503400000000, -0.0006362900000000, -0.0003231100000000 ] - [ -0.0004029800000000, -0.0001377500000000, -0.0000177000000000 ] - [ -0.0007339100000000, 0.0000920300000000, -0.0001367900000000 ] - [ 0.0019262300000000, 0.0023311800000000, -0.0015951800000000 ] - [ -0.0007744900000000, 0.0000012100000000, -0.0000465500000000 ] - [ -0.0001764300000000, 0.0005163800000000, -0.0000236000000000 ] - [ -0.0001922100000000, -0.0005034200000000, -0.0002083000000000 ] - [ 0.0035487500000000, -0.0003030100000000, 0.0001230800000000 ] - [ -0.0006568700000000, -0.0006388500000000, 0.0002004600000000 ] - [ -0.0003363800000000, -0.0007328200000000, -0.0000905300000000 ] - [ -0.0002847800000000, 0.0002805000000000, -0.0001895600000000 ] - [ 0.0002191100000000, 0.0004139400000000, -0.0002637100000000 ] - [ -0.0000582500000000, -0.0003787800000000, -0.0008950800000000 ] - [ 0.0375444500000000, 0.0025281600000000, -0.0180875000000000 ] - [ -0.0006233100000000, -0.0003536600000000, -0.0000899100000000 ] - [ 0.0001548400000000, 0.0001086100000000, 0.0002011000000000 ] - [ -0.0002876400000000, 0.0001038700000000, 0.0001311800000000 ] - [ -0.0006933500000000, -0.0001325100000000, -0.0008076500000000 ] - [ -0.0009695700000000, -0.0010145100000000, -0.0002827800000000 ] - [ -0.0002629900000000, -0.0004454000000000, -0.0003339600000000 ] - [ 0.0004530800000000, 0.0006158100000000, 0.0003520600000000 ] - [ 0.0003173400000000, -0.0001090100000000, -0.0000948100000000 ] - [ 0.0000251500000000, 0.0000090500000000, -0.0001650300000000 ] - [ -0.0004593400000000, 0.0000639700000000, 0.0002019600000000 ] - [ -0.0003461800000000, 0.0002249800000000, 0.0002544300000000 ] - [ 0.0003156100000000, 0.0002044400000000, 0.0001968900000000 ] - [ -0.0000256900000000, 0.0001815100000000, 0.0000763900000000 ] - [ -0.0000282600000000, 0.0007051100000000, -0.0003576200000000 ] - [ -0.0005567000000000, -0.0001034800000000, -0.0005591300000000 ] - [ 0.0005333600000000, -0.0001207500000000, -0.0001978500000000 ] - [ 0.0001863100000000, -0.0001338300000000, -0.0002662600000000 ] - [ 0.0001141000000000, -0.0003799000000000, 0.0000178500000000 ] - [ 0.0000144600000000, -0.0003721700000000, -0.0000192100000000 ] - [ 0.0024547300000000, -0.0014184200000000, -0.0026073800000000 ] - [ -0.0010760400000000, 0.0001264400000000, -0.0001266400000000 ] - [ 0.0004312200000000, -0.0000025000000000, 0.0020835200000000 ] - [ -0.0012196400000000, -0.0003304700000000, 0.0000692500000000 ] - [ -0.0028674900000000, 0.0068696800000000, 0.0042210500000000 ] - [ -0.0008176600000000, 0.0000487100000000, -0.0002148400000000 ] - [ 0.0005600400000000, -0.0006588100000000, 0.0004013600000000 ] - [ 0.0003121900000000, -0.0006526800000000, 0.0003281700000000 ] - [ -0.0010336400000000, 0.0010369900000000, -0.0001268200000000 ] - [ -0.0023234600000000, -0.0009116200000000, -0.0011686900000000 ] - [ -0.0013423100000000, -0.0003924100000000, -0.0004352900000000 ] - [ -0.0021272200000000, 0.0026441500000000, -0.0010407400000000 ] - [ -0.0003333600000000, 0.0001053100000000, 0.0001843700000000 ] - [ -0.0008810700000000, 0.0001682900000000, -0.0000143700000000 ] - [ 0.0001757300000000, 0.0003886300000000, 0.0000613300000000 ] - [ -0.0003798200000000, 0.0000732600000000, -0.0000583400000000 ] - [ 0.0005756900000000, -0.0009630900000000, -0.0002742800000000 ] - [ 0.0002450500000000, 0.0005435400000000, 0.0000137300000000 ] - [ 0.0000510600000000, -0.0001352500000000, 0.0006858200000000 ] - [ -0.0005446100000000, -0.0001359600000000, 0.0005873900000000 ] - [ 0.0001757900000000, -0.0000342400000000, 0.0000979500000000 ] - [ -0.0001190000000000, 0.0001084400000000, 0.0000104000000000 ] - [ 0.0002509700000000, 0.0005397600000000, 0.0001903000000000 ] - [ -0.0000314400000000, 0.0005007600000000, 0.0001214600000000 ] - [ -0.0028574700000000, -0.0042567900000000, 0.0066392800000000 ] - [ -0.0004710100000000, 0.0004935000000000, -0.0005292700000000 ] - [ 0.0008012200000000, -0.0002726500000000, -0.0005276400000000 ] - [ -0.0005260200000000, 0.0001429100000000, -0.0007737300000000 ] - [ 0.0011878800000000, -0.0005742200000000, -0.0004155000000000 ] - [ -0.0000948800000000, -0.0001332700000000, 0.0000946300000000 ] - [ -0.0001154900000000, 0.0051927600000000, 0.0055420800000000 ] - [ -0.0005950200000000, 0.0004996800000000, 0.0000503000000000 ] - [ 0.0007938600000000, -0.0003547600000000, -0.0002614000000000 ] - [ 0.0006157700000000, -0.0002950700000000, -0.0003006900000000 ] - [ 0.0005458000000000, -0.0007883500000000, 0.0005298300000000 ] - [ -0.0000877600000000, -0.0001071100000000, -0.0002268000000000 ] - [ -0.0006915500000000, 0.0003021900000000, -0.0001297000000000 ] - [ -0.0008069000000000, -0.0010347500000000, 0.0003240100000000 ] - [ 0.0006073500000000, -0.0004559800000000, -0.0001151700000000 ] - [ 0.0001714800000000, -0.0005906900000000, -0.0002741500000000 ] - [ -0.0000181700000000, -0.0004947400000000, -0.0003690500000000 ] - [ 0.0000119000000000, -0.0007837100000000, -0.0003945000000000 ] - [ 0.0002869500000000, 0.0009309300000000, 0.0003562600000000 ] - [ -0.0002598400000000, 0.0004864000000000, 0.0002086300000000 ] - [ -0.0075286700000000, -0.0039264500000000, 0.0034683900000000 ] - [ -0.0010624700000000, 0.0003033500000000, -0.0004783900000000 ] - [ 0.0002464100000000, 0.0000424600000000, 0.0002886900000000 ] - [ -0.0000899700000000, 0.0001925300000000, 0.0002214300000000 ] - [ -0.0000139300000000, 0.0006595800000000, -0.0002253900000000 ] - [ -0.0000438000000000, 0.0003887800000000, -0.0001947100000000 ] - [ -0.0003655000000000, -0.0006193300000000, 0.0000131500000000 ] - [ -0.0002235700000000, 0.0000763200000000, 0.0001292700000000 ] - [ 0.0003195300000000, -0.0001918500000000, -0.0000099600000000 ] - [ 0.0004220400000000, -0.0000104100000000, -0.0000086800000000 ] - [ -0.0026056000000000, -0.0040598700000000, -0.0062739300000000 ] - [ -0.0010948500000000, 0.0000151200000000, 0.0002196600000000 ] - [ 0.0003783000000000, 0.0004017200000000, 0.0007203600000000 ] - [ -0.0001759900000000, -0.0001556500000000, 0.0006377600000000 ] - [ -0.0000704700000000, -0.0005670100000000, 0.0000605900000000 ] - [ -0.0002990200000000, 0.0005490500000000, -0.0005104600000000 ] - [ -0.0002680700000000, 0.0008809000000000, -0.0003986900000000 ] - [ 0.0000047300000000, 0.0002875700000000, -0.0001909600000000 ] - [ 0.0010206700000000, -0.0005388200000000, 0.0008128500000000 ] - [ -0.0002200200000000, 0.0002909500000000, 0.0003035400000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005233100000000, -0.0004826900000000, -0.0000557700000000 ] - [ -0.0012701800000000, -0.0010121600000000, -0.0000451200000000 ] - [ 0.0000188000000000, -0.0014619400000000, -0.0001447400000000 ] - [ 0.0000697200000000, -0.0004507700000000, -0.0001350400000000 ] - [ 0.0006812200000000, -0.0001979000000000, 0.0000918600000000 ] - [ -0.0006001300000000, -0.0005580700000000, -0.0006653800000000 ] - [ 0.0002625900000000, 0.0113967500000000, -0.0002062800000000 ] - [ -0.0000756500000000, 0.0009115400000000, 0.0003959400000000 ] - [ -0.0011382700000000, -0.0011281100000000, 0.0001785300000000 ] - [ 0.0002035600000000, -0.0011232600000000, 0.0004589100000000 ] - [ 0.0003404700000000, -0.0001363500000000, -0.0004216400000000 ] - [ 0.0004838200000000, 0.0005191200000000, -0.0003826100000000 ] - [ 0.0016711400000000, -0.0075879600000000, 0.0003131700000000 ] - [ -0.0001899300000000, 0.0009629100000000, 0.0000394400000000 ] - [ -0.0001528500000000, -0.0005869000000000, -0.0004185200000000 ] - [ 0.0008426500000000, -0.0010922100000000, -0.0000819100000000 ] - [ -0.0007121100000000, 0.0022710600000000, -0.0000004000000000 ] - [ 0.0007181000000000, 0.0049495300000000, 0.0009124900000000 ] - [ -0.0011082200000000, 0.0031921300000000, -0.0004662300000000 ] - [ 0.0000449400000000, 0.0042797000000000, -0.0004820500000000 ] - [ 0.0008425500000000, -0.0012484800000000, 0.0004220700000000 ] - [ -0.0000786400000000, 0.0004036100000000, 0.0001598400000000 ] - [ 0.0001266500000000, -0.0011679800000000, 0.0002457700000000 ] - [ 0.0001306200000000, -0.0002675500000000, 0.0002438800000000 ] - [ 0.0022510500000000, -0.0000777400000000, 0.0009310100000000 ] - [ -0.0009258100000000, 0.0005225100000000, -0.0002566600000000 ] - [ 0.0009136900000000, -0.0021818200000000, 0.0004590800000000 ] - [ 0.0003117300000000, -0.0007509600000000, 0.0001241900000000 ] - [ 0.0021382500000000, -0.0010801500000000, 0.0004375000000000 ] - [ -0.0019342600000000, -0.0002909800000000, -0.0002215500000000 ] - [ 0.0000677500000000, -0.0024491400000000, 0.0000406600000000 ] - [ 0.0004649100000000, -0.0011089500000000, -0.0000914300000000 ] - [ 0.0011127400000000, 0.0113157100000000, -0.0007329400000000 ] - [ 0.0006423100000000, 0.0001399700000000, 0.0003209400000000 ] - [ -0.0008331700000000, -0.0011520400000000, 0.0005584200000000 ] - [ -0.0009115300000000, -0.0010144100000000, 0.0005214300000000 ] - [ -0.0019813600000000, -0.0010478200000000, -0.0011910200000000 ] - [ 0.0002256300000000, -0.0000619400000000, 0.0000346300000000 ] - [ 0.0007870400000000, -0.0022936500000000, -0.0001148300000000 ] - [ 0.0000392200000000, -0.0007607700000000, -0.0001407600000000 ] - [ 0.0003814700000000, 0.0119207200000000, 0.0009129900000000 ] - [ 0.0008016800000000, 0.0008007400000000, -0.0005291300000000 ] - [ -0.0000738300000000, -0.0017302100000000, -0.0002088200000000 ] - [ 0.0002018100000000, -0.0003923900000000, 0.0000907700000000 ] - [ -0.0020347900000000, -0.0008624500000000, 0.0001981500000000 ] - [ 0.0010107300000000, -0.0003312900000000, 0.0004657000000000 ] - [ -0.0006621200000000, -0.0017756600000000, -0.0003871400000000 ] - [ -0.0007268600000000, -0.0016176700000000, -0.0003837100000000 ] - [ -0.0005153900000000, 0.0009472500000000, -0.0001303600000000 ] - [ -0.0006690600000000, 0.0003662800000000, -0.0001180500000000 ] - [ -0.0025721000000000, 0.0032172000000000, -0.0061255400000000 ] - [ 0.0000654200000000, -0.0003775600000000, 0.0001841800000000 ] - [ -0.0003173400000000, 0.0002147700000000, -0.0001018900000000 ] - [ 0.0027212500000000, 0.0018008500000000, 0.0010127700000000 ] - [ -0.0011290400000000, 0.0021178400000000, -0.0093192900000000 ] - [ 0.0000896400000000, -0.0009332100000000, 0.0004234600000000 ] - [ 0.0002190600000000, 0.0002151100000000, -0.0001400500000000 ] - [ -0.0006364300000000, 0.0002494800000000, -0.0002648900000000 ] - [ -0.0005599700000000, 0.0001111700000000, -0.0008197600000000 ] - [ 0.0007328400000000, -0.0002846300000000, -0.0003397500000000 ] - [ -0.0030965400000000, -0.0418860600000000, -0.0027176300000000 ] - [ -0.0000585600000000, -0.0008112000000000, -0.0000035900000000 ] - [ -0.0001408500000000, 0.0011000200000000, 0.0001497400000000 ] - [ 0.0000157400000000, 0.0004053400000000, 0.0001901800000000 ] - [ -0.0009816200000000, -0.0019753100000000, -0.0005776200000000 ] - [ 0.0000097100000000, -0.0016434300000000, -0.0003435900000000 ] - [ 0.0012540500000000, -0.0002646500000000, 0.0003457900000000 ] - [ -0.0005438000000000, -0.0007396000000000, -0.0002568700000000 ] - [ 0.0004158000000000, 0.0006378400000000, -0.0000019100000000 ] - [ 0.0000642300000000, 0.0003399400000000, -0.0001662800000000 ] - [ -0.0002558300000000, 0.0006403000000000, 0.0003095000000000 ] - [ -0.0003928500000000, 0.0008021100000000, 0.0002519200000000 ] - [ -0.0000132200000000, 0.0009446300000000, 0.0001335400000000 ] - [ 0.0001557800000000, 0.0005733600000000, 0.0001594500000000 ] - [ -0.0007836800000000, 0.0007857600000000, -0.0005579400000000 ] - [ 0.0003444100000000, 0.0004547200000000, -0.0003153600000000 ] - [ 0.0002151500000000, 0.0006245900000000, -0.0003080500000000 ] - [ 0.0003850700000000, 0.0002450700000000, -0.0002463900000000 ] - [ 0.0000328100000000, 0.0002052100000000, -0.0000135000000000 ] - [ 0.0000412200000000, 0.0002679400000000, 0.0000012600000000 ] - [ 0.0010045600000000, -0.0012722000000000, 0.0062476900000000 ] - [ -0.0002749200000000, -0.0005442300000000, 0.0000219000000000 ] - [ -0.0009532400000000, -0.0027231800000000, 0.0002203600000000 ] - [ -0.0006854100000000, -0.0007204200000000, 0.0002935700000000 ] - [ -0.0063135000000000, 0.0033316900000000, 0.0042613200000000 ] - [ 0.0003433500000000, -0.0003370300000000, 0.0000293500000000 ] - [ 0.0003177800000000, 0.0003168100000000, 0.0003066400000000 ] - [ 0.0004012600000000, -0.0002634300000000, 0.0003385200000000 ] - [ -0.0006532300000000, -0.0005005400000000, -0.0002445000000000 ] - [ 0.0016865500000000, -0.0010042100000000, 0.0004714000000000 ] - [ 0.0005656700000000, -0.0001157100000000, -0.0001560800000000 ] - [ -0.0032306400000000, -0.0000412000000000, -0.0009930000000000 ] - [ -0.0009237200000000, 0.0009959600000000, 0.0000235600000000 ] - [ -0.0005530000000000, 0.0003281900000000, 0.0001003500000000 ] - [ -0.0005041600000000, 0.0016061000000000, -0.0008449500000000 ] - [ -0.0000168700000000, 0.0003061600000000, 0.0000334000000000 ] - [ 0.0016393100000000, 0.0006958600000000, 0.0001861800000000 ] - [ 0.0002460300000000, 0.0001400000000000, -0.0000463600000000 ] - [ 0.0001531600000000, 0.0010072100000000, 0.0007492100000000 ] - [ -0.0003885900000000, 0.0000460800000000, 0.0006219900000000 ] - [ 0.0003049900000000, 0.0007496300000000, 0.0000710500000000 ] - [ -0.0000517900000000, 0.0004492700000000, 0.0000399800000000 ] - [ 0.0000166400000000, 0.0014910900000000, 0.0001610300000000 ] - [ 0.0001339500000000, 0.0009123500000000, 0.0001819500000000 ] - [ 0.0044669100000000, -0.0011534600000000, -0.0042190000000000 ] - [ 0.0005160800000000, -0.0003427800000000, -0.0001824200000000 ] - [ 0.0003633900000000, 0.0008475100000000, -0.0000852600000000 ] - [ -0.0002363100000000, 0.0000641700000000, -0.0007086500000000 ] - [ -0.0006496300000000, 0.0016006100000000, 0.0018109800000000 ] - [ 0.0002184600000000, -0.0002808300000000, 0.0001212100000000 ] - [ -0.0044725700000000, 0.0029535400000000, 0.0074742600000000 ] - [ 0.0001601200000000, 0.0002252400000000, 0.0002304200000000 ] - [ 0.0006764900000000, 0.0002689600000000, -0.0002889400000000 ] - [ 0.0006667400000000, 0.0001504300000000, -0.0002939200000000 ] - [ 0.0007049300000000, 0.0015321300000000, -0.0015895100000000 ] - [ 0.0001047400000000, -0.0002348100000000, -0.0001295800000000 ] - [ -0.0013079600000000, -0.0004151600000000, -0.0000725800000000 ] - [ 0.0002370700000000, -0.0007207500000000, 0.0001012100000000 ] - [ 0.0004747500000000, 0.0003964200000000, -0.0001872600000000 ] - [ 0.0003568600000000, -0.0003004100000000, -0.0002182100000000 ] - [ -0.0000975700000000, -0.0001038100000000, -0.0003895800000000 ] - [ 0.0001345000000000, 0.0001096500000000, -0.0003080400000000 ] - [ -0.0007805000000000, 0.0019630600000000, 0.0007980500000000 ] - [ 0.0001896900000000, 0.0007234800000000, 0.0003191400000000 ] - [ 0.0041517500000000, -0.0010318900000000, -0.0016150300000000 ] - [ -0.0004990400000000, -0.0004931000000000, -0.0001594600000000 ] - [ 0.0001375600000000, 0.0010184100000000, 0.0003321200000000 ] - [ -0.0000359400000000, 0.0004647500000000, 0.0002290600000000 ] - [ -0.0001028700000000, 0.0010703000000000, -0.0002449300000000 ] - [ 0.0001234300000000, 0.0012181400000000, -0.0002144100000000 ] - [ 0.0001762700000000, 0.0001266600000000, 0.0003209300000000 ] - [ -0.0007502700000000, 0.0001095000000000, -0.0000308300000000 ] - [ 0.0005435100000000, 0.0004151200000000, -0.0000201300000000 ] - [ 0.0004120500000000, 0.0006071100000000, -0.0000320300000000 ] - [ 0.0036113100000000, -0.0008129400000000, 0.0050433900000000 ] - [ -0.0005061700000000, -0.0006340100000000, 0.0001401100000000 ] - [ -0.0004283900000000, 0.0007045700000000, 0.0004863800000000 ] - [ 0.0004510100000000, 0.0002012300000000, 0.0007365800000000 ] - [ 0.0006867600000000, -0.0000293500000000, 0.0000396100000000 ] - [ -0.0001879100000000, -0.0001666800000000, -0.0003999900000000 ] - [ -0.0004287500000000, 0.0006407500000000, -0.0004177500000000 ] - [ 0.0006484500000000, 0.0008548800000000, -0.0000798900000000 ] - [ 0.0009435200000000, 0.0009726100000000, 0.0001423700000000 ] - [ 0.0000670100000000, 0.0001717200000000, 0.0003998400000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009290100000000, 0.0011252600000000, -0.0004565200000000 ] - [ 0.0008544100000000, 0.0016480300000000, -0.0004620200000000 ] - [ 0.0001914400000000, 0.0022063400000000, -0.0001190300000000 ] - [ 0.0001395000000000, 0.0011972700000000, -0.0001283100000000 ] - [ -0.0006169900000000, 0.0016549800000000, -0.0002339000000000 ] - [ 0.0006586200000000, 0.0020089500000000, 0.0005159700000000 ] - [ -0.0003796600000000, -0.0098589200000000, 0.0009668300000000 ] - [ -0.0003372100000000, -0.0003188200000000, 0.0002969100000000 ] - [ 0.0000944600000000, 0.0011271500000000, 0.0005247300000000 ] - [ -0.0012559300000000, 0.0011247000000000, 0.0002432100000000 ] - [ 0.0007085700000000, 0.0001683000000000, -0.0002802000000000 ] - [ 0.0005611900000000, -0.0005109900000000, -0.0003209800000000 ] - [ -0.0017266400000000, 0.0089350700000000, -0.0001675400000000 ] - [ 0.0001242800000000, 0.0004861100000000, 0.0001023500000000 ] - [ 0.0005643700000000, 0.0011705800000000, -0.0002748000000000 ] - [ -0.0004360300000000, 0.0016794300000000, -0.0006138400000000 ] - [ 0.0004928100000000, -0.0015232800000000, 0.0002616600000000 ] - [ -0.0009075200000000, -0.0042145500000000, -0.0006318500000000 ] - [ 0.0007046900000000, -0.0021694900000000, -0.0000575800000000 ] - [ -0.0004005500000000, -0.0032641600000000, -0.0000357400000000 ] - [ -0.0004337900000000, 0.0018744600000000, 0.0000903000000000 ] - [ 0.0004831300000000, 0.0002291800000000, 0.0003515600000000 ] - [ 0.0002508900000000, 0.0021883800000000, 0.0002703600000000 ] - [ 0.0002451400000000, 0.0012884500000000, 0.0002717800000000 ] - [ -0.0025532800000000, 0.0001639500000000, -0.0011181300000000 ] - [ 0.0006223700000000, -0.0004400100000000, 0.0000718300000000 ] - [ 0.0000688300000000, 0.0014665500000000, -0.0001097600000000 ] - [ 0.0006653400000000, 0.0000429400000000, 0.0002215700000000 ] - [ -0.0029103300000000, -0.0003028500000000, -0.0001783700000000 ] - [ 0.0011531400000000, -0.0010911000000000, 0.0004773000000000 ] - [ 0.0007116900000000, 0.0010566400000000, -0.0003044700000000 ] - [ 0.0003076400000000, -0.0002877500000000, -0.0001700700000000 ] - [ 0.0003050900000000, -0.0127040000000000, 0.0014900500000000 ] - [ 0.0007615200000000, -0.0015116800000000, 0.0003962600000000 ] - [ -0.0008881000000000, 0.0009938300000000, 0.0004940400000000 ] - [ -0.0008147000000000, 0.0008550200000000, 0.0005297600000000 ] - [ 0.0010074300000000, 0.0003140600000000, 0.0008521700000000 ] - [ -0.0012037300000000, -0.0006546100000000, -0.0003772500000000 ] - [ -0.0001882000000000, 0.0016053400000000, -0.0000277100000000 ] - [ 0.0005496800000000, 0.0000783700000000, -0.0000010900000000 ] - [ 0.0013753000000000, -0.0121088000000000, -0.0020002000000000 ] - [ 0.0009224500000000, -0.0009659800000000, -0.0005301800000000 ] - [ 0.0003761400000000, 0.0018089000000000, 0.0004047400000000 ] - [ 0.0000962900000000, 0.0004665800000000, 0.0000987700000000 ] - [ 0.0014419000000000, 0.0001547200000000, -0.0000495100000000 ] - [ -0.0016093600000000, -0.0003623900000000, -0.0003164300000000 ] - [ -0.0007413900000000, 0.0004047800000000, -0.0003400000000000 ] - [ -0.0006820200000000, 0.0002445900000000, -0.0003435200000000 ] - [ -0.0006039400000000, -0.0008807300000000, -0.0000333400000000 ] - [ -0.0004500800000000, -0.0003022700000000, -0.0000448900000000 ] - [ 0.0022121100000000, -0.0032391400000000, 0.0063151300000000 ] - [ -0.0004002800000000, 0.0003414200000000, 0.0000730200000000 ] - [ 0.0005493900000000, 0.0001554800000000, 0.0000799400000000 ] - [ -0.0024548100000000, -0.0014113200000000, -0.0010196300000000 ] - [ 0.0011023900000000, -0.0033329200000000, 0.0101632600000000 ] - [ -0.0001180200000000, -0.0002889900000000, 0.0003268400000000 ] - [ -0.0006103600000000, -0.0006472600000000, -0.0001067600000000 ] - [ 0.0002491900000000, -0.0006837600000000, 0.0000189800000000 ] - [ 0.0011856900000000, -0.0003719900000000, -0.0004591800000000 ] - [ -0.0001052600000000, 0.0000237200000000, -0.0009362800000000 ] - [ 0.0026206400000000, 0.0405047800000000, 0.0026348800000000 ] - [ -0.0000692300000000, 0.0001120100000000, 0.0000054600000000 ] - [ -0.0000683300000000, -0.0008017600000000, 0.0001869500000000 ] - [ -0.0002216900000000, -0.0001102700000000, 0.0001472300000000 ] - [ 0.0001283200000000, 0.0006993500000000, -0.0001414800000000 ] - [ -0.0008682200000000, 0.0003692900000000, -0.0003796000000000 ] - [ -0.0001299400000000, 0.0003334200000000, -0.0001807400000000 ] - [ 0.0016639300000000, 0.0008087200000000, 0.0004197100000000 ] - [ -0.0000816800000000, -0.0006715300000000, -0.0002564200000000 ] - [ 0.0002731100000000, -0.0003728200000000, -0.0000904300000000 ] - [ -0.0005288600000000, -0.0002912300000000, 0.0001602400000000 ] - [ -0.0003902300000000, -0.0004536800000000, 0.0002186300000000 ] - [ 0.0002763600000000, -0.0005238300000000, 0.0001342000000000 ] - [ 0.0001101100000000, -0.0001527400000000, 0.0001086500000000 ] - [ 0.0003028800000000, -0.0004974000000000, -0.0003464000000000 ] - [ -0.0008164900000000, -0.0001635100000000, -0.0005874500000000 ] - [ 0.0004796200000000, -0.0008367800000000, -0.0001666500000000 ] - [ 0.0003122800000000, -0.0004577200000000, -0.0002274800000000 ] - [ 0.0000954800000000, -0.0009037300000000, 0.0000111100000000 ] - [ 0.0000883400000000, -0.0009660500000000, -0.0000029800000000 ] - [ -0.0017802900000000, 0.0010865900000000, -0.0062199400000000 ] - [ -0.0004938500000000, 0.0003988700000000, 0.0000007800000000 ] - [ -0.0004471500000000, 0.0021213400000000, 0.0003424600000000 ] - [ -0.0007155400000000, 0.0001226200000000, 0.0002697900000000 ] - [ 0.0061816000000000, -0.0031709200000000, -0.0043214300000000 ] - [ -0.0004099900000000, 0.0004865200000000, -0.0001364400000000 ] - [ 0.0005373300000000, -0.0015881300000000, 0.0004138100000000 ] - [ 0.0004544000000000, -0.0010065000000000, 0.0003826000000000 ] - [ 0.0004437200000000, 0.0015845300000000, -0.0000711900000000 ] - [ -0.0019017500000000, 0.0020747500000000, -0.0007866700000000 ] - [ -0.0007219400000000, 0.0004273200000000, -0.0003657100000000 ] - [ 0.0030840100000000, 0.0003605000000000, 0.0004735600000000 ] - [ -0.0004085200000000, -0.0006481100000000, 0.0000894500000000 ] - [ -0.0007754900000000, 0.0000191000000000, 0.0000135200000000 ] - [ 0.0002719800000000, -0.0012367900000000, 0.0008787200000000 ] - [ -0.0002155000000000, 0.0000693900000000, -0.0000126000000000 ] - [ -0.0003142900000000, -0.0003400300000000, -0.0003016800000000 ] - [ 0.0010849200000000, 0.0002110000000000, -0.0000675000000000 ] - [ -0.0007859000000000, -0.0012708700000000, 0.0005274500000000 ] - [ -0.0002363900000000, -0.0003018700000000, 0.0006564500000000 ] - [ -0.0002393400000000, -0.0005988700000000, 0.0000364600000000 ] - [ 0.0001210000000000, -0.0002978000000000, 0.0000677300000000 ] - [ 0.0001950100000000, -0.0004036000000000, 0.0001536200000000 ] - [ 0.0000782500000000, 0.0001770200000000, 0.0001327700000000 ] - [ -0.0036852100000000, 0.0014626300000000, 0.0037439100000000 ] - [ 0.0002727000000000, 0.0006877500000000, -0.0002873700000000 ] - [ -0.0005698300000000, -0.0007776900000000, -0.0012733300000000 ] - [ 0.0000359000000000, 0.0000027500000000, -0.0006425800000000 ] - [ 0.0010261700000000, -0.0020309500000000, -0.0015414200000000 ] - [ 0.0001735500000000, -0.0001577000000000, 0.0001253900000000 ] - [ 0.0045467100000000, -0.0018453800000000, -0.0071240100000000 ] - [ -0.0001223400000000, 0.0008728800000000, 0.0001908600000000 ] - [ 0.0007238000000000, -0.0008661400000000, -0.0002745500000000 ] - [ 0.0007355800000000, -0.0007468000000000, -0.0002691400000000 ] - [ -0.0003086000000000, -0.0019273600000000, 0.0013372600000000 ] - [ 0.0002904300000000, -0.0001692100000000, -0.0000989100000000 ] - [ 0.0006019800000000, -0.0006304200000000, 0.0005110200000000 ] - [ -0.0009414300000000, -0.0003239900000000, 0.0003346400000000 ] - [ 0.0002307700000000, -0.0014350700000000, -0.0002513700000000 ] - [ 0.0003505500000000, -0.0007370600000000, -0.0002200200000000 ] - [ 0.0001284000000000, -0.0011205500000000, -0.0003610300000000 ] - [ -0.0001018200000000, -0.0013314800000000, -0.0004421100000000 ] - [ 0.0008280600000000, -0.0007455400000000, -0.0002506900000000 ] - [ -0.0001492900000000, 0.0005010300000000, 0.0002389500000000 ] - [ -0.0044007600000000, 0.0014905300000000, 0.0013427800000000 ] - [ 0.0002369200000000, 0.0009151300000000, -0.0001094800000000 ] - [ 0.0000231200000000, -0.0007092800000000, 0.0001913100000000 ] - [ 0.0001970800000000, -0.0001579800000000, 0.0002935500000000 ] - [ 0.0000662800000000, 0.0000257100000000, -0.0001755100000000 ] - [ -0.0001585500000000, -0.0001203900000000, -0.0002057500000000 ] - [ -0.0005710900000000, -0.0005247400000000, -0.0000929900000000 ] - [ 0.0003569100000000, -0.0005088500000000, 0.0002596300000000 ] - [ 0.0002285000000000, -0.0005576700000000, -0.0000016400000000 ] - [ 0.0003618400000000, -0.0007502500000000, 0.0000106000000000 ] - [ -0.0043068000000000, 0.0006504300000000, -0.0045713600000000 ] - [ -0.0001909400000000, 0.0004230500000000, 0.0003335200000000 ] - [ 0.0006269900000000, -0.0006417600000000, 0.0008639300000000 ] - [ -0.0002476000000000, -0.0001374100000000, 0.0006152800000000 ] - [ -0.0004790500000000, 0.0003315200000000, -0.0003769800000000 ] - [ 0.0003944500000000, 0.0004656400000000, 0.0000629100000000 ] - [ 0.0003877200000000, 0.0005788000000000, -0.0001404600000000 ] - [ -0.0006892500000000, 0.0003631200000000, -0.0004777100000000 ] - [ -0.0004748200000000, -0.0006791000000000, 0.0007651400000000 ] - [ 0.0004103500000000, 0.0001194300000000, 0.0005040800000000 ]- atom: 61 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0002639700000000, 0.0003017300000000, -0.0000587300000000 ] - [ -0.0000887400000000, 0.0005138900000000, -0.0002465200000000 ] - [ 0.0000910300000000, 0.0003768900000000, -0.0000652300000000 ] - [ 0.0001150000000000, 0.0003680900000000, -0.0001287600000000 ] - [ 0.0000775500000000, 0.0007128600000000, -0.0002739000000000 ] - [ -0.0000433600000000, 0.0006322400000000, -0.0000785700000000 ] - [ -0.0021310000000000, 0.0003884900000000, 0.0079517900000000 ] - [ -0.0000232600000000, 0.0002488600000000, 0.0004010500000000 ] - [ -0.0005749900000000, -0.0000223000000000, 0.0004923000000000 ] - [ -0.0004503900000000, -0.0000632500000000, 0.0003635900000000 ] - [ 0.0018122000000000, -0.0001314800000000, -0.0048273900000000 ] - [ 0.0004110500000000, 0.0000095900000000, -0.0003760400000000 ] - [ -0.0014382400000000, 0.0004444000000000, 0.0056843100000000 ] - [ 0.0001127000000000, 0.0007856800000000, 0.0001154800000000 ] - [ 0.0002314200000000, 0.0002915300000000, -0.0004618000000000 ] - [ 0.0001427100000000, 0.0003986100000000, -0.0003679800000000 ] - [ 0.0003485300000000, 0.0003684200000000, -0.0013100900000000 ] - [ -0.0042985200000000, 0.0011441400000000, -0.0015066000000000 ] - [ -0.0009386600000000, 0.0006088800000000, 0.0020582600000000 ] - [ 0.0033772700000000, -0.0001162600000000, 0.0002389700000000 ] - [ 0.0012119800000000, 0.0003447400000000, -0.0031941500000000 ] - [ 0.0000144200000000, 0.0002282000000000, 0.0001984300000000 ] - [ 0.0002101400000000, 0.0005130500000000, 0.0001903600000000 ] - [ 0.0001751100000000, 0.0005075200000000, 0.0002551800000000 ] - [ -0.0018494400000000, 0.0011447600000000, -0.0007783500000000 ] - [ -0.0000745700000000, -0.0000181800000000, -0.0004661200000000 ] - [ 0.0005318700000000, -0.0000134600000000, 0.0001388900000000 ] - [ 0.0004990700000000, -0.0003583300000000, 0.0001723700000000 ] - [ 0.0013868000000000, -0.0019880800000000, 0.0003668600000000 ] - [ -0.0004797800000000, -0.0007489100000000, 0.0004396600000000 ] - [ 0.0003428100000000, -0.0003512900000000, -0.0001143600000000 ] - [ 0.0003791400000000, -0.0006903100000000, -0.0001370200000000 ] - [ -0.0020229500000000, -0.0009052500000000, 0.0233849400000000 ] - [ 0.0007100100000000, -0.0006625900000000, 0.0003206800000000 ] - [ -0.0008480900000000, -0.0000870500000000, 0.0005363100000000 ] - [ -0.0008623000000000, -0.0000717000000000, 0.0005401700000000 ] - [ -0.0015232900000000, -0.0022550700000000, -0.0008417300000000 ] - [ -0.0004423300000000, -0.0003522100000000, -0.0004696700000000 ] - [ 0.0002763700000000, -0.0006602800000000, -0.0001081400000000 ] - [ 0.0003072200000000, -0.0003449700000000, -0.0000644100000000 ] - [ -0.0100363300000000, 0.0001107400000000, 0.0230237300000000 ] - [ 0.0008561700000000, -0.0000717600000000, -0.0004867200000000 ] - [ 0.0002046800000000, -0.0003029600000000, 0.0001277600000000 ] - [ 0.0001378100000000, 0.0000433700000000, 0.0000967900000000 ] - [ 0.0007524200000000, 0.0014153900000000, 0.0001371400000000 ] - [ -0.0003656400000000, -0.0003498400000000, 0.0003677400000000 ] - [ -0.0007226000000000, -0.0006929500000000, -0.0003645900000000 ] - [ -0.0006986400000000, -0.0006803400000000, -0.0003737400000000 ] - [ -0.0005687300000000, -0.0000416600000000, -0.0000755100000000 ] - [ -0.0005582100000000, 0.0000357200000000, -0.0000875000000000 ] - [ 0.0023488400000000, -0.0063731200000000, 0.0039969200000000 ] - [ -0.0001819500000000, -0.0000097500000000, 0.0001600500000000 ] - [ 0.0000113300000000, 0.0002956800000000, -0.0000208700000000 ] - [ 0.0001132600000000, 0.0001851600000000, -0.0001792700000000 ] - [ 0.0021218300000000, -0.0103298100000000, 0.0109147200000000 ] - [ -0.0000240000000000, -0.0006187500000000, 0.0004470100000000 ] - [ -0.0002800000000000, -0.0003489200000000, -0.0001555000000000 ] - [ -0.0001719200000000, -0.0002286700000000, -0.0002139700000000 ] - [ 0.0000144400000000, -0.0000770500000000, 0.0004713700000000 ] - [ 0.0004010100000000, -0.0000677400000000, -0.0006273600000000 ] - [ 0.0272950200000000, -0.0021879600000000, -0.1025327500000000 ] - [ -0.0001199600000000, -0.0003542500000000, -0.0000146400000000 ] - [ -0.0000685100000000, 0.0001450000000000, 0.0000368100000000 ] - [ -0.0001110500000000, 0.0001475700000000, 0.0001678700000000 ] - [ 0.0002627500000000, -0.0007028200000000, -0.0000033000000000 ] - [ -0.0005890200000000, -0.0005427000000000, 0.0007986500000000 ] - [ 0.0013096700000000, 0.0001901800000000, 0.0003647200000000 ] - [ 0.0001752000000000, 0.0000362600000000, 0.0013574200000000 ] - [ 0.0001971800000000, 0.0000610600000000, -0.0001133800000000 ] - [ 0.0001707200000000, -0.0000212500000000, -0.0001153000000000 ] - [ -0.0003809300000000, 0.0001837100000000, 0.0002387800000000 ] - [ -0.0004015200000000, 0.0001729300000000, 0.0002539000000000 ] - [ 0.0001347600000000, 0.0002400800000000, 0.0001458000000000 ] - [ 0.0001321600000000, 0.0002089100000000, 0.0001332700000000 ] - [ -0.0003577900000000, 0.0005018200000000, -0.0004852900000000 ] - [ -0.0002436700000000, 0.0001326000000000, -0.0004981400000000 ] - [ 0.0003408800000000, -0.0001357700000000, -0.0002217400000000 ] - [ 0.0003479100000000, -0.0001067700000000, -0.0002348800000000 ] - [ 0.0000586600000000, -0.0003452700000000, 0.0000234600000000 ] - [ 0.0000685600000000, -0.0003573600000000, -0.0000001800000000 ] - [ 0.0028977400000000, 0.0070226700000000, 0.0108240100000000 ] - [ -0.0003925100000000, -0.0000660600000000, 0.0001013700000000 ] - [ -0.0020717800000000, -0.0002926800000000, 0.0055260600000000 ] - [ -0.0006158600000000, -0.0002873100000000, 0.0003062900000000 ] - [ -0.0052976700000000, 0.0067985300000000, 0.0018534200000000 ] - [ -0.0000408500000000, 0.0000809600000000, -0.0001031800000000 ] - [ 0.0004211100000000, -0.0005967700000000, 0.0003580900000000 ] - [ 0.0004310000000000, -0.0006338900000000, 0.0003578700000000 ] - [ -0.0007616800000000, 0.0005865700000000, -0.0002807400000000 ] - [ 0.0002942000000000, 0.0006513500000000, -0.0013754700000000 ] - [ -0.0007492300000000, -0.0000363200000000, -0.0004203700000000 ] - [ 0.0001377800000000, 0.0002382500000000, -0.0016953300000000 ] - [ -0.0007154100000000, 0.0001807500000000, 0.0002322700000000 ] - [ -0.0006580400000000, 0.0001798800000000, 0.0000583500000000 ] - [ -0.0000969700000000, -0.0000925100000000, -0.0000364500000000 ] - [ -0.0001225900000000, 0.0001801200000000, 0.0000493600000000 ] - [ 0.0009360100000000, 0.0002507100000000, -0.0009181300000000 ] - [ 0.0005954400000000, 0.0002361300000000, -0.0000687300000000 ] - [ -0.0002640100000000, -0.0001149700000000, 0.0004409500000000 ] - [ -0.0003231100000000, -0.0001329600000000, 0.0006368500000000 ] - [ 0.0000097600000000, 0.0000169300000000, 0.0000521700000000 ] - [ 0.0000409100000000, 0.0000715500000000, 0.0000481900000000 ] - [ 0.0001063600000000, 0.0004971000000000, 0.0001592000000000 ] - [ 0.0001073200000000, 0.0005454900000000, 0.0001628800000000 ] - [ -0.0074037200000000, -0.0058068500000000, 0.0063121400000000 ] - [ 0.0004335400000000, 0.0001652200000000, -0.0002961000000000 ] - [ -0.0000637000000000, 0.0008344800000000, -0.0005657500000000 ] - [ -0.0000811700000000, 0.0000241700000000, -0.0006488200000000 ] - [ 0.0004677800000000, 0.0002030800000000, -0.0000496100000000 ] - [ 0.0001801700000000, -0.0002095400000000, 0.0001474200000000 ] - [ -0.0055371900000000, 0.0095950500000000, 0.0076894600000000 ] - [ 0.0000545200000000, 0.0005473500000000, 0.0001437000000000 ] - [ 0.0007072900000000, -0.0002930300000000, -0.0003078000000000 ] - [ 0.0006964500000000, -0.0002963100000000, -0.0002817500000000 ] - [ 0.0000802300000000, -0.0005570800000000, -0.0002821800000000 ] - [ 0.0001995700000000, -0.0001931000000000, -0.0001393800000000 ] - [ -0.0001723000000000, -0.0004881500000000, -0.0005847600000000 ] - [ -0.0005910600000000, -0.0006937100000000, 0.0001329500000000 ] - [ 0.0003086900000000, -0.0005190100000000, -0.0000630400000000 ] - [ 0.0003680600000000, -0.0005053800000000, -0.0002143200000000 ] - [ -0.0000066600000000, -0.0005849000000000, -0.0003791400000000 ] - [ 0.0000204000000000, -0.0006188000000000, -0.0004007100000000 ] - [ -0.0000159500000000, 0.0008433600000000, 0.0002607700000000 ] - [ 0.0000375800000000, 0.0006059900000000, 0.0002445200000000 ] - [ -0.0066253100000000, -0.0026953100000000, 0.0002533000000000 ] - [ -0.0001652700000000, 0.0002564800000000, -0.0004120100000000 ] - [ 0.0000970700000000, 0.0002201400000000, 0.0002711100000000 ] - [ 0.0000785800000000, 0.0001562300000000, 0.0002704500000000 ] - [ 0.0000067600000000, 0.0005288100000000, -0.0002028800000000 ] - [ -0.0000277100000000, 0.0005428000000000, -0.0001805300000000 ] - [ -0.0001028500000000, -0.0000679300000000, 0.0001486200000000 ] - [ -0.0002319100000000, -0.0002237400000000, 0.0002144900000000 ] - [ 0.0003818800000000, -0.0000714300000000, -0.0000153100000000 ] - [ 0.0003874500000000, -0.0000720600000000, -0.0000322700000000 ] - [ 0.0062451300000000, 0.0042167600000000, 0.0048358300000000 ] - [ -0.0005133700000000, -0.0000498300000000, 0.0004181000000000 ] - [ 0.0002847100000000, -0.0003741100000000, 0.0007270000000000 ] - [ 0.0000834300000000, 0.0000259500000000, 0.0007194100000000 ] - [ -0.0001646400000000, 0.0001209500000000, 0.0009480300000000 ] - [ 0.0003443600000000, -0.0001659900000000, -0.0001048200000000 ] - [ 0.0000779400000000, 0.0005195200000000, -0.0002446400000000 ] - [ -0.0000627500000000, 0.0006887500000000, 0.0000189700000000 ] - [ 0.0001052000000000, -0.0006780500000000, 0.0005068900000000 ] - [ 0.0002654900000000, 0.0001353400000000, 0.0004403800000000 ]- atom: 61 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0001438700000000, 0.0003379300000000, -0.0004533500000000 ] - [ -0.0003164200000000, 0.0001264200000000, -0.0002689900000000 ] - [ 0.0001188100000000, 0.0003726600000000, -0.0001977400000000 ] - [ 0.0000948800000000, 0.0003803400000000, -0.0001335600000000 ] - [ -0.0000147300000000, 0.0007409300000000, 0.0001316400000000 ] - [ 0.0001060200000000, 0.0008237400000000, -0.0000595000000000 ] - [ 0.0017163700000000, 0.0001800800000000, -0.0072570300000000 ] - [ -0.0003861400000000, 0.0003396900000000, 0.0002930100000000 ] - [ -0.0004735300000000, 0.0000263800000000, 0.0002105900000000 ] - [ -0.0005974300000000, 0.0000678200000000, 0.0003379300000000 ] - [ -0.0007611000000000, 0.0001098600000000, 0.0041278500000000 ] - [ 0.0006376400000000, -0.0000055900000000, -0.0003248800000000 ] - [ 0.0013798600000000, 0.0009631700000000, -0.0055422500000000 ] - [ -0.0001750400000000, 0.0006689700000000, 0.0000282600000000 ] - [ 0.0001788800000000, 0.0002978500000000, -0.0002312600000000 ] - [ 0.0002668400000000, 0.0001911000000000, -0.0003236200000000 ] - [ -0.0005534500000000, 0.0003795600000000, 0.0015758300000000 ] - [ 0.0040739300000000, -0.0003958000000000, 0.0017978300000000 ] - [ 0.0005521100000000, 0.0004120500000000, -0.0025768500000000 ] - [ -0.0037545600000000, 0.0011416000000000, -0.0007788400000000 ] - [ -0.0008058600000000, 0.0003130100000000, 0.0037069500000000 ] - [ 0.0003933800000000, 0.0004113600000000, 0.0003148900000000 ] - [ 0.0001659800000000, 0.0005111300000000, 0.0003262300000000 ] - [ 0.0002015100000000, 0.0005158900000000, 0.0002617500000000 ] - [ 0.0015488800000000, -0.0010712100000000, 0.0005893600000000 ] - [ -0.0002306900000000, 0.0000887700000000, 0.0002795500000000 ] - [ 0.0004455500000000, -0.0006935300000000, 0.0002018400000000 ] - [ 0.0004802800000000, -0.0003500100000000, 0.0001708300000000 ] - [ -0.0021593700000000, 0.0005940800000000, -0.0001042900000000 ] - [ -0.0002846300000000, -0.0006417000000000, -0.0001801600000000 ] - [ 0.0004304200000000, -0.0010408600000000, -0.0001434600000000 ] - [ 0.0003952000000000, -0.0007024900000000, -0.0001234200000000 ] - [ 0.0034758100000000, -0.0004140300000000, -0.0251803900000000 ] - [ 0.0006945600000000, -0.0007110600000000, 0.0003968800000000 ] - [ -0.0008759400000000, -0.0000701000000000, 0.0005162000000000 ] - [ -0.0008592700000000, -0.0000853100000000, 0.0005129700000000 ] - [ 0.0005477200000000, 0.0015445800000000, 0.0005006700000000 ] - [ -0.0005369300000000, -0.0003578300000000, 0.0001315900000000 ] - [ 0.0003130200000000, -0.0000203400000000, -0.0000306700000000 ] - [ 0.0002859500000000, -0.0003371500000000, -0.0000753500000000 ] - [ 0.0104974100000000, -0.0002352000000000, -0.0219318400000000 ] - [ 0.0008691600000000, -0.0000948400000000, -0.0005704900000000 ] - [ 0.0000958100000000, 0.0003821800000000, 0.0000623300000000 ] - [ 0.0001608200000000, 0.0000331500000000, 0.0000955800000000 ] - [ -0.0013495400000000, -0.0021018500000000, 0.0000183800000000 ] - [ -0.0002256700000000, -0.0003408800000000, -0.0002139800000000 ] - [ -0.0006842200000000, -0.0006779200000000, -0.0003612100000000 ] - [ -0.0007083500000000, -0.0006922200000000, -0.0003513800000000 ] - [ -0.0005509000000000, 0.0001065000000000, -0.0000861900000000 ] - [ -0.0005618700000000, 0.0000297900000000, -0.0000748800000000 ] - [ -0.0027101700000000, 0.0063883900000000, -0.0037434900000000 ] - [ -0.0001537800000000, -0.0000226000000000, 0.0000977800000000 ] - [ 0.0002203900000000, 0.0000787900000000, -0.0000002400000000 ] - [ 0.0001066800000000, 0.0001804000000000, 0.0001533800000000 ] - [ -0.0021131900000000, 0.0089526000000000, -0.0100287100000000 ] - [ -0.0000071700000000, -0.0006038700000000, 0.0003033100000000 ] - [ -0.0001109600000000, -0.0000864200000000, -0.0000915700000000 ] - [ -0.0002196300000000, -0.0002046700000000, -0.0000327100000000 ] - [ 0.0006098000000000, -0.0001770700000000, -0.0017498700000000 ] - [ 0.0002244200000000, -0.0001882500000000, -0.0006527500000000 ] - [ -0.0262957500000000, 0.0015175800000000, 0.1027335300000000 ] - [ -0.0000094000000000, -0.0003427200000000, 0.0000173900000000 ] - [ -0.0001377500000000, 0.0001503400000000, 0.0003017900000000 ] - [ -0.0000963000000000, 0.0001488400000000, 0.0001705600000000 ] - [ -0.0011201500000000, -0.0005672000000000, -0.0007160200000000 ] - [ -0.0002607500000000, -0.0007279700000000, -0.0015186100000000 ] - [ -0.0001921200000000, -0.0001246800000000, -0.0002008500000000 ] - [ 0.0009512100000000, 0.0000295900000000, -0.0011918300000000 ] - [ 0.0001389000000000, -0.0000941300000000, -0.0001425100000000 ] - [ 0.0001653000000000, -0.0000118600000000, -0.0001410200000000 ] - [ -0.0004034400000000, 0.0001654400000000, 0.0002322400000000 ] - [ -0.0003827500000000, 0.0001760200000000, 0.0002171600000000 ] - [ 0.0001304400000000, 0.0001812600000000, 0.0001229800000000 ] - [ 0.0001322700000000, 0.0002125000000000, 0.0001352900000000 ] - [ -0.0001184600000000, -0.0002096600000000, -0.0004178900000000 ] - [ -0.0002358300000000, 0.0001581200000000, -0.0004047000000000 ] - [ 0.0003557100000000, -0.0000758500000000, -0.0002513200000000 ] - [ 0.0003480400000000, -0.0001048900000000, -0.0002387000000000 ] - [ 0.0000705100000000, -0.0003521300000000, -0.0000246600000000 ] - [ 0.0000599700000000, -0.0003403300000000, -0.0000012700000000 ] - [ -0.0036026000000000, -0.0070495800000000, -0.0106536400000000 ] - [ -0.0003801100000000, -0.0000754900000000, -0.0000787100000000 ] - [ 0.0006629000000000, -0.0002966500000000, -0.0049653400000000 ] - [ -0.0007856300000000, -0.0003081000000000, 0.0002569200000000 ] - [ 0.0051992900000000, -0.0065977300000000, -0.0019722400000000 ] - [ -0.0000295300000000, 0.0000721700000000, -0.0000033800000000 ] - [ 0.0004346600000000, -0.0006734100000000, 0.0003645400000000 ] - [ 0.0004247400000000, -0.0006360000000000, 0.0003642400000000 ] - [ 0.0005486900000000, 0.0005031100000000, -0.0000349300000000 ] - [ -0.0005236600000000, 0.0004335300000000, 0.0010552300000000 ] - [ 0.0005862900000000, 0.0003446100000000, -0.0001024500000000 ] - [ -0.0003186800000000, 0.0000828200000000, 0.0011701700000000 ] - [ -0.0006137100000000, 0.0001699200000000, -0.0001181400000000 ] - [ -0.0006719100000000, 0.0001692400000000, 0.0000555500000000 ] - [ -0.0001343400000000, 0.0004662100000000, 0.0000518000000000 ] - [ -0.0001102000000000, 0.0001941800000000, -0.0000279500000000 ] - [ 0.0003953000000000, 0.0000990100000000, 0.0008061300000000 ] - [ 0.0007331200000000, 0.0001132800000000, -0.0000420500000000 ] - [ -0.0003609000000000, -0.0001391100000000, 0.0008381900000000 ] - [ -0.0003032200000000, -0.0001232900000000, 0.0006421500000000 ] - [ 0.0000583100000000, 0.0001347200000000, 0.0000556400000000 ] - [ 0.0000267000000000, 0.0000802100000000, 0.0000598500000000 ] - [ 0.0001055900000000, 0.0005914900000000, 0.0001552900000000 ] - [ 0.0001044900000000, 0.0005437800000000, 0.0001524600000000 ] - [ 0.0083071000000000, 0.0062504200000000, -0.0068560500000000 ] - [ 0.0003515900000000, 0.0001838300000000, -0.0001740000000000 ] - [ -0.0001402200000000, -0.0007706400000000, -0.0007813300000000 ] - [ -0.0001203100000000, 0.0000414500000000, -0.0007010300000000 ] - [ -0.0000705500000000, -0.0006407600000000, 0.0002834700000000 ] - [ 0.0002102500000000, -0.0002258300000000, 0.0001000400000000 ] - [ 0.0056517900000000, -0.0086353700000000, -0.0073566400000000 ] - [ -0.0000185000000000, 0.0005502100000000, 0.0002780000000000 ] - [ 0.0006944300000000, -0.0003028400000000, -0.0002543900000000 ] - [ 0.0007046700000000, -0.0002994200000000, -0.0002805100000000 ] - [ 0.0003120800000000, 0.0001539000000000, 0.0000664500000000 ] - [ 0.0001946500000000, -0.0002078100000000, -0.0000887900000000 ] - [ -0.0005338900000000, -0.0005510000000000, 0.0010236600000000 ] - [ -0.0001163100000000, -0.0003434300000000, 0.0003094600000000 ] - [ 0.0003973200000000, -0.0005216300000000, -0.0003743700000000 ] - [ 0.0003385100000000, -0.0005327800000000, -0.0002231200000000 ] - [ 0.0000379100000000, -0.0006379300000000, -0.0003704900000000 ] - [ 0.0000104000000000, -0.0006049800000000, -0.0003488800000000 ] - [ 0.0000540900000000, 0.0003796800000000, 0.0003044300000000 ] - [ 0.0000027900000000, 0.0006172900000000, 0.0003144800000000 ] - [ 0.0063318000000000, 0.0031037800000000, -0.0005385400000000 ] - [ -0.0000999100000000, 0.0001650700000000, 0.0001442600000000 ] - [ 0.0000641600000000, 0.0000874200000000, 0.0002518000000000 ] - [ 0.0000818400000000, 0.0001520600000000, 0.0002528200000000 ] - [ -0.0000429200000000, 0.0005688000000000, -0.0002166400000000 ] - [ -0.0000085800000000, 0.0005542300000000, -0.0002390900000000 ] - [ -0.0002926300000000, -0.0003334600000000, 0.0000810400000000 ] - [ -0.0001614900000000, -0.0001793900000000, 0.0000150400000000 ] - [ 0.0003905000000000, -0.0000709300000000, -0.0000057100000000 ] - [ 0.0003848300000000, -0.0000707100000000, 0.0000113900000000 ] - [ -0.0069957400000000, -0.0044551500000000, -0.0043689400000000 ] - [ -0.0001821800000000, -0.0001614700000000, 0.0000568900000000 ] - [ -0.0000825000000000, 0.0004411900000000, 0.0006263000000000 ] - [ 0.0001183900000000, 0.0000403400000000, 0.0006330000000000 ] - [ 0.0003695800000000, 0.0001745600000000, -0.0012855200000000 ] - [ -0.0001365600000000, 0.0004622200000000, -0.0002348100000000 ] - [ -0.0001197400000000, 0.0007040700000000, -0.0003129100000000 ] - [ 0.0000239000000000, 0.0005387600000000, -0.0005763000000000 ] - [ 0.0003704900000000, 0.0009661500000000, 0.0003927800000000 ] - [ 0.0002100500000000, 0.0001549900000000, 0.0004634400000000 ]- atom: 63 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0048304800000000, -0.0007278500000000, -0.0021653700000000 ] - [ -0.0034046600000000, 0.0021426500000000, 0.0001422400000000 ] - [ 0.0096516800000000, 0.0077372200000000, 0.0009132300000000 ] - [ -0.0012216400000000, 0.0008506700000000, -0.0003832200000000 ] - [ -0.0012744400000000, 0.0010565500000000, 0.0003041500000000 ] - [ -0.0013564000000000, 0.0016097100000000, -0.0012670600000000 ] - [ 0.0014730900000000, 0.0018955400000000, 0.0000197300000000 ] - [ -0.0011964700000000, -0.0002045600000000, 0.0001525200000000 ] - [ -0.0005123500000000, 0.0008489000000000, 0.0002890000000000 ] - [ -0.0010275000000000, -0.0007923000000000, 0.0004972500000000 ] - [ 0.0018549200000000, 0.0004375400000000, 0.0008630900000000 ] - [ -0.0004455100000000, -0.0002379400000000, -0.0006811600000000 ] - [ 0.0003026400000000, 0.0004873400000000, 0.0001538900000000 ] - [ -0.0003559100000000, 0.0006271100000000, -0.0000095300000000 ] - [ 0.0000654600000000, 0.0008863700000000, -0.0003162200000000 ] - [ -0.0000523100000000, -0.0005703100000000, -0.0007544300000000 ] - [ -0.0001762000000000, -0.0000910700000000, 0.0001275500000000 ] - [ -0.0000984000000000, 0.0004993400000000, 0.0001085200000000 ] - [ -0.0002088000000000, -0.0000825200000000, -0.0002891900000000 ] - [ -0.0002800800000000, 0.0007280400000000, -0.0002571900000000 ] - [ 0.0004768600000000, 0.0000393000000000, 0.0003364600000000 ] - [ -0.0000896000000000, 0.0002608900000000, 0.0001723700000000 ] - [ 0.0023915100000000, -0.0003476400000000, 0.0025140800000000 ] - [ -0.0009666000000000, 0.0008467000000000, -0.0001489200000000 ] - [ -0.0000104200000000, -0.0017079500000000, -0.0003815800000000 ] - [ -0.0007494600000000, 0.0005303500000000, -0.0001417200000000 ] - [ 0.0122711500000000, -0.0015420100000000, -0.0085372200000000 ] - [ -0.0007796700000000, -0.0002727000000000, -0.0001885800000000 ] - [ -0.0008839400000000, -0.0034519000000000, 0.0004259800000000 ] - [ -0.0011772200000000, 0.0000017100000000, -0.0001521500000000 ] - [ 0.0014478200000000, -0.0009500300000000, 0.0001022400000000 ] - [ -0.0002051200000000, -0.0007338300000000, -0.0002976900000000 ] - [ 0.0012137900000000, -0.0008140800000000, 0.0005106400000000 ] - [ 0.0003154200000000, -0.0007870000000000, 0.0002487200000000 ] - [ -0.0021429300000000, 0.0024600400000000, 0.0013549700000000 ] - [ -0.0024021300000000, -0.0005902100000000, 0.0000056900000000 ] - [ -0.0002574700000000, -0.0004215900000000, -0.0001181900000000 ] - [ -0.0007136400000000, -0.0005238700000000, -0.0002182000000000 ] - [ 0.0115983900000000, 0.0016484200000000, -0.0061471900000000 ] - [ -0.0009507500000000, -0.0002911200000000, -0.0003883700000000 ] - [ 0.0013978000000000, -0.0003434500000000, -0.0003839600000000 ] - [ 0.0004708300000000, -0.0001515400000000, -0.0006278900000000 ] - [ 0.0010982900000000, -0.0004886700000000, 0.0003937200000000 ] - [ -0.0004053000000000, 0.0000490700000000, -0.0000338600000000 ] - [ -0.0000860200000000, -0.0003892800000000, 0.0001391400000000 ] - [ -0.0005157800000000, -0.0005504100000000, 0.0000079700000000 ] - [ -0.0002274100000000, 0.0008525500000000, -0.0014431600000000 ] - [ -0.0016563300000000, -0.0010980000000000, -0.0005678400000000 ] - [ 0.0069723400000000, 0.0037351300000000, -0.0088461800000000 ] - [ 0.0003240000000000, -0.0002922500000000, 0.0002152200000000 ] - [ -0.0009772600000000, 0.0002856000000000, -0.0000747500000000 ] - [ 0.0002314300000000, -0.0000839300000000, 0.0002574200000000 ] - [ 0.0013118700000000, 0.0008405100000000, 0.0000852900000000 ] - [ 0.0006601200000000, -0.0009210600000000, 0.0004377300000000 ] - [ -0.0001534300000000, -0.0005356800000000, 0.0003338100000000 ] - [ 0.0001219200000000, -0.0005362100000000, 0.0004112000000000 ] - [ -0.0002337800000000, -0.0003864100000000, -0.0001451400000000 ] - [ -0.0000750700000000, 0.0001013400000000, -0.0001047600000000 ] - [ 0.0000736000000000, 0.0006925300000000, -0.0010154400000000 ] - [ 0.0007152400000000, -0.0003965700000000, -0.0004483400000000 ] - [ -0.0003225800000000, -0.0003848800000000, -0.0000324500000000 ] - [ 0.0001193000000000, -0.0002311000000000, 0.0000413900000000 ] - [ -0.0398372100000000, -0.0139744300000000, 0.0255122300000000 ] - [ 0.0004865200000000, 0.0001883100000000, 0.0002692300000000 ] - [ -0.0003929300000000, -0.0001874600000000, -0.0002886900000000 ] - [ -0.0003612000000000, -0.0008170000000000, -0.0003812200000000 ] - [ 0.0005961900000000, 0.0001534400000000, 0.0000993500000000 ] - [ 0.0005561000000000, 0.0000654700000000, 0.0000758400000000 ] - [ -0.0003610700000000, -0.0003764700000000, -0.0001816200000000 ] - [ 0.0005468200000000, 0.0001650300000000, -0.0000047600000000 ] - [ -0.0001341200000000, -0.0002066700000000, 0.0004081900000000 ] - [ -0.0002600600000000, 0.0004945700000000, 0.0002040700000000 ] - [ 0.0001514800000000, -0.0038725900000000, -0.0053998200000000 ] - [ 0.0009087200000000, 0.0001409500000000, 0.0004096400000000 ] - [ 0.0058675800000000, 0.0055202800000000, -0.0052963600000000 ] - [ 0.0005123000000000, -0.0000246200000000, -0.0001574300000000 ] - [ -0.0023732400000000, -0.0007866200000000, 0.0003679500000000 ] - [ 0.0010779000000000, -0.0001931900000000, -0.0000810600000000 ] - [ 0.0002411800000000, -0.0009326100000000, -0.0002294100000000 ] - [ 0.0004673400000000, -0.0000584600000000, 0.0003559500000000 ] - [ -0.0006346800000000, -0.0002009000000000, -0.0000090800000000 ] - [ -0.0001538100000000, 0.0000707600000000, 0.0000510300000000 ] - [ -0.0009472500000000, -0.0002329700000000, 0.0001754400000000 ] - [ -0.0005126800000000, -0.0002485800000000, 0.0003409100000000 ] - [ -0.0007508000000000, 0.0006768900000000, -0.0002472000000000 ] - [ 0.0003646200000000, -0.0000319000000000, 0.0000329800000000 ] - [ -0.0002425600000000, 0.0005184300000000, -0.0009013900000000 ] - [ 0.0007642700000000, -0.0008383200000000, 0.0004977300000000 ] - [ 0.0000814200000000, 0.0010366500000000, -0.0001743600000000 ] - [ -0.0000820400000000, 0.0002224200000000, -0.0001173400000000 ] - [ -0.0000212400000000, 0.0002629100000000, -0.0002500000000000 ] - [ -0.0001073800000000, 0.0001914400000000, -0.0002636200000000 ] - [ -0.0020239700000000, 0.0001303500000000, -0.0017398000000000 ] - [ -0.0001254800000000, 0.0001088800000000, 0.0002563600000000 ] - [ -0.0003006600000000, 0.0004813200000000, -0.0000417700000000 ] - [ 0.0000694700000000, 0.0001194100000000, 0.0000695700000000 ] - [ 0.0005350800000000, 0.0001603400000000, -0.0000806300000000 ] - [ 0.0007928300000000, 0.0003109000000000, -0.0000332600000000 ] - [ -0.0007952500000000, -0.0000686000000000, 0.0005688700000000 ] - [ -0.0000253600000000, -0.0000684300000000, 0.0006980000000000 ] - [ -0.0003828300000000, -0.0005858100000000, -0.0001604500000000 ] - [ 0.0005685900000000, 0.0003225700000000, 0.0002210700000000 ] - [ -0.0008979600000000, 0.0015508100000000, 0.0010329000000000 ] - [ 0.0004558800000000, 0.0003613600000000, 0.0002065400000000 ] - [ 0.0001732500000000, -0.0001006100000000, -0.0003391900000000 ] - [ 0.0006433600000000, 0.0003421300000000, -0.0001467600000000 ] - [ -0.0003518900000000, 0.0001162100000000, -0.0007284100000000 ] - [ 0.0001015300000000, 0.0000776500000000, -0.0006361400000000 ] - [ -0.0020197200000000, -0.0007013200000000, 0.0005407900000000 ] - [ 0.0007150100000000, -0.0002401500000000, 0.0002029600000000 ] - [ -0.0001177500000000, 0.0006141100000000, 0.0001808400000000 ] - [ 0.0001412100000000, 0.0006225400000000, 0.0002408600000000 ] - [ 0.0010354000000000, -0.0024277700000000, 0.0001826600000000 ] - [ 0.0012603200000000, -0.0001175500000000, -0.0002968700000000 ] - [ 0.0008976900000000, -0.0040669200000000, -0.0030437400000000 ] - [ 0.0009911200000000, -0.0000419200000000, 0.0001336900000000 ] - [ -0.0001686500000000, 0.0005108500000000, 0.0004918600000000 ] - [ 0.0000138800000000, -0.0010310300000000, 0.0002164600000000 ] - [ 0.0000349300000000, -0.0002772200000000, -0.0003498900000000 ] - [ 0.0005798800000000, -0.0005326300000000, -0.0001447600000000 ] - [ 0.0013313200000000, -0.0012628800000000, -0.0005749400000000 ] - [ 0.0016697100000000, -0.0004132800000000, 0.0003001200000000 ] - [ -0.0001364300000000, 0.0009072400000000, 0.0002239700000000 ] - [ 0.0002195400000000, 0.0005463200000000, 0.0003253200000000 ] - [ -0.0002717200000000, 0.0003491700000000, -0.0001867800000000 ] - [ 0.0000233400000000, 0.0002404600000000, -0.0000799900000000 ] - [ -0.0007441800000000, 0.0011527400000000, 0.0051954700000000 ] - [ 0.0008848200000000, -0.0000266800000000, 0.0004408100000000 ] - [ 0.0004744600000000, -0.0000320500000000, 0.0005386500000000 ] - [ 0.0009191500000000, 0.0007106400000000, -0.0003481500000000 ] - [ -0.0002013500000000, -0.0003293400000000, 0.0001237200000000 ] - [ -0.0001693100000000, 0.0000518200000000, 0.0001371900000000 ] - [ 0.0007131200000000, -0.0005336100000000, -0.0000262600000000 ] - [ 0.0020670700000000, 0.0012709200000000, 0.0001993600000000 ] - [ -0.0005200100000000, -0.0000004400000000, 0.0002096900000000 ] - [ -0.0001807900000000, -0.0000652500000000, 0.0002666700000000 ] - [ 0.0004010700000000, 0.0030089400000000, 0.0050657700000000 ] - [ 0.0007924700000000, -0.0001171700000000, 0.0007501900000000 ] - [ 0.0000035800000000, 0.0002147500000000, -0.0002047100000000 ] - [ 0.0001873200000000, 0.0002101600000000, -0.0001386300000000 ] - [ 0.0006673300000000, 0.0010989100000000, 0.0000671100000000 ] - [ 0.0000499700000000, 0.0000932200000000, -0.0004942200000000 ] - [ -0.0000075000000000, 0.0002147500000000, 0.0003709100000000 ] - [ 0.0004405800000000, 0.0001952700000000, 0.0005214700000000 ]- atom: 63 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0044468100000000, 0.0013823200000000, 0.0016700700000000 ] - [ 0.0029880700000000, -0.0014909500000000, -0.0006479300000000 ] - [ -0.0093050300000000, -0.0066284000000000, -0.0011198000000000 ] - [ 0.0014348100000000, -0.0001053200000000, 0.0001193800000000 ] - [ 0.0013356500000000, 0.0003972800000000, -0.0004580900000000 ] - [ 0.0014267600000000, -0.0001524900000000, 0.0011209700000000 ] - [ -0.0018737500000000, -0.0013231000000000, 0.0006715400000000 ] - [ 0.0007886500000000, 0.0007963200000000, 0.0005410500000000 ] - [ -0.0005356700000000, -0.0008462600000000, 0.0004138400000000 ] - [ -0.0000199400000000, 0.0007946100000000, 0.0002056900000000 ] - [ -0.0008088100000000, -0.0004406300000000, -0.0015606900000000 ] - [ 0.0014949000000000, 0.0002442300000000, -0.0000200900000000 ] - [ -0.0003644600000000, 0.0009648700000000, -0.0000107100000000 ] - [ 0.0002939400000000, 0.0008266300000000, 0.0001527200000000 ] - [ 0.0003440700000000, -0.0002980200000000, -0.0003779000000000 ] - [ 0.0004628200000000, 0.0011575600000000, 0.0000605300000000 ] - [ -0.0000349900000000, 0.0008391000000000, 0.0001359400000000 ] - [ -0.0001100000000000, 0.0002465800000000, 0.0001560100000000 ] - [ -0.0001689100000000, 0.0011058300000000, -0.0002268900000000 ] - [ -0.0000941100000000, 0.0002934600000000, -0.0002584900000000 ] - [ -0.0000681300000000, 0.0005984900000000, 0.0001766200000000 ] - [ 0.0004978800000000, 0.0003779100000000, 0.0003407000000000 ] - [ -0.0020064900000000, 0.0013749300000000, -0.0019888900000000 ] - [ 0.0013439000000000, 0.0001746400000000, 0.0006661900000000 ] - [ -0.0002990500000000, 0.0017816300000000, 0.0001939000000000 ] - [ 0.0004493900000000, -0.0004541500000000, -0.0000428300000000 ] - [ -0.0113948900000000, 0.0008307800000000, 0.0088478000000000 ] - [ 0.0017609400000000, -0.0004352800000000, 0.0005320500000000 ] - [ 0.0001101700000000, 0.0020702400000000, -0.0001689900000000 ] - [ 0.0004079200000000, -0.0013933400000000, 0.0004100500000000 ] - [ -0.0006716300000000, -0.0004450500000000, -0.0003627900000000 ] - [ 0.0009801500000000, -0.0006603300000000, 0.0000371600000000 ] - [ 0.0001907600000000, -0.0005609400000000, 0.0002079600000000 ] - [ 0.0010905600000000, -0.0005850500000000, 0.0004699600000000 ] - [ 0.0004177900000000, -0.0026263500000000, -0.0003125200000000 ] - [ 0.0006775200000000, 0.0004307700000000, 0.0010454000000000 ] - [ -0.0007194300000000, -0.0002906800000000, -0.0002203900000000 ] - [ -0.0002621100000000, -0.0001879500000000, -0.0001201300000000 ] - [ -0.0109495300000000, -0.0023468000000000, 0.0061052600000000 ] - [ 0.0015444400000000, -0.0003908300000000, 0.0002472000000000 ] - [ 0.0003272400000000, 0.0001765700000000, -0.0006750000000000 ] - [ 0.0012564500000000, -0.0000133800000000, -0.0004306000000000 ] - [ -0.0007943100000000, 0.0005688900000000, -0.0001996200000000 ] - [ 0.0007070600000000, 0.0000289200000000, 0.0002262200000000 ] - [ -0.0005109100000000, -0.0002999200000000, 0.0000115100000000 ] - [ -0.0000817300000000, -0.0001374900000000, 0.0001411600000000 ] - [ -0.0011909900000000, -0.0022205800000000, 0.0007198500000000 ] - [ 0.0002514300000000, -0.0002742000000000, -0.0001578500000000 ] - [ -0.0079721200000000, -0.0036025700000000, 0.0085281800000000 ] - [ -0.0014448300000000, 0.0003589700000000, -0.0003789900000000 ] - [ 0.0006432600000000, -0.0003163900000000, 0.0003331300000000 ] - [ -0.0005675900000000, 0.0000502800000000, -0.0000005900000000 ] - [ -0.0010837600000000, -0.0004690300000000, -0.0001059300000000 ] - [ -0.0004294700000000, 0.0012893200000000, -0.0004568400000000 ] - [ 0.0001235200000000, -0.0006856400000000, 0.0004163400000000 ] - [ -0.0001517400000000, -0.0006861200000000, 0.0003389900000000 ] - [ -0.0001565700000000, -0.0000485300000000, -0.0001014200000000 ] - [ -0.0003155500000000, -0.0005356600000000, -0.0001420800000000 ] - [ 0.0005543600000000, -0.0009511600000000, -0.0002569400000000 ] - [ -0.0000896100000000, 0.0001399100000000, -0.0008295200000000 ] - [ 0.0001948100000000, -0.0003108900000000, 0.0000347100000000 ] - [ -0.0002477500000000, -0.0004667900000000, -0.0000393400000000 ] - [ 0.0393976500000000, 0.0139635700000000, -0.0252960900000000 ] - [ -0.0006927200000000, 0.0001075600000000, 0.0000688900000000 ] - [ -0.0004616100000000, -0.0010827700000000, -0.0004325900000000 ] - [ -0.0004945800000000, -0.0004532200000000, -0.0003406600000000 ] - [ 0.0005239300000000, -0.0000874400000000, 0.0000638600000000 ] - [ 0.0005635400000000, 0.0000010700000000, 0.0000872000000000 ] - [ 0.0006985900000000, 0.0003420700000000, -0.0000755100000000 ] - [ -0.0002100600000000, -0.0001974000000000, -0.0002519200000000 ] - [ -0.0006488100000000, 0.0005564300000000, 0.0000620900000000 ] - [ -0.0005241900000000, -0.0001446800000000, 0.0002660600000000 ] - [ 0.0001324800000000, 0.0043114400000000, 0.0057000400000000 ] - [ -0.0006430000000000, 0.0002805000000000, -0.0001411600000000 ] - [ -0.0064265700000000, -0.0053162900000000, 0.0044769100000000 ] - [ -0.0009893700000000, 0.0003150600000000, -0.0007451300000000 ] - [ 0.0030767000000000, 0.0005519300000000, -0.0008072000000000 ] - [ -0.0003814500000000, -0.0000183900000000, -0.0003929400000000 ] - [ -0.0001081500000000, 0.0002341500000000, 0.0002309100000000 ] - [ -0.0003388400000000, -0.0006391400000000, -0.0003568600000000 ] - [ -0.0001369300000000, 0.0000623600000000, 0.0000311600000000 ] - [ -0.0006168600000000, -0.0002130700000000, -0.0000281800000000 ] - [ -0.0004526800000000, -0.0003612900000000, 0.0003885900000000 ] - [ -0.0008881900000000, -0.0003471700000000, 0.0002225900000000 ] - [ 0.0006873000000000, -0.0005234900000000, 0.0001407600000000 ] - [ -0.0004327500000000, 0.0001843000000000, -0.0001398600000000 ] - [ 0.0010961700000000, -0.0017894300000000, 0.0016185700000000 ] - [ 0.0000921200000000, -0.0004307200000000, 0.0002237100000000 ] - [ -0.0002929400000000, 0.0000513900000000, -0.0001400200000000 ] - [ -0.0001318800000000, 0.0008668000000000, -0.0001976600000000 ] - [ -0.0001394500000000, 0.0000458700000000, -0.0002721500000000 ] - [ -0.0000540500000000, 0.0001179600000000, -0.0002587300000000 ] - [ 0.0006960200000000, 0.0002204600000000, 0.0018563400000000 ] - [ -0.0012034200000000, 0.0002400900000000, -0.0001430700000000 ] - [ 0.0000687000000000, -0.0001056600000000, 0.0000629500000000 ] - [ -0.0003010200000000, 0.0002553500000000, -0.0000484300000000 ] - [ 0.0007953600000000, 0.0001896700000000, -0.0000324900000000 ] - [ 0.0005371200000000, 0.0000392400000000, -0.0000800800000000 ] - [ 0.0001693700000000, -0.0001869700000000, 0.0007093800000000 ] - [ -0.0006000400000000, -0.0001872900000000, 0.0005806400000000 ] - [ 0.0004514200000000, 0.0007372400000000, 0.0002688600000000 ] - [ -0.0004999000000000, -0.0001701700000000, -0.0001131400000000 ] - [ 0.0011072700000000, -0.0004601100000000, -0.0007119300000000 ] - [ -0.0002429700000000, 0.0007286000000000, 0.0001087200000000 ] - [ 0.0006114200000000, 0.0004518800000000, -0.0001314200000000 ] - [ 0.0001428500000000, 0.0000064200000000, -0.0003239600000000 ] - [ 0.0001511500000000, -0.0000496800000000, -0.0006225500000000 ] - [ -0.0003026700000000, -0.0000111100000000, -0.0007147700000000 ] - [ 0.0024051200000000, 0.0002951800000000, -0.0003201400000000 ] - [ -0.0003233500000000, -0.0001960300000000, 0.0000446800000000 ] - [ 0.0001543200000000, 0.0004844000000000, 0.0002403400000000 ] - [ -0.0001045400000000, 0.0004751400000000, 0.0001804600000000 ] - [ 0.0003688100000000, 0.0018426000000000, -0.0007487100000000 ] - [ 0.0001420500000000, -0.0004768800000000, -0.0002664800000000 ] - [ -0.0005136300000000, 0.0036444900000000, 0.0027974800000000 ] - [ -0.0005979900000000, -0.0003606600000000, -0.0003628600000000 ] - [ -0.0005347200000000, -0.0015525300000000, -0.0000562100000000 ] - [ -0.0007207900000000, -0.0000089100000000, 0.0002211900000000 ] - [ 0.0006719300000000, -0.0007603300000000, -0.0000875900000000 ] - [ 0.0001276800000000, -0.0005051300000000, -0.0002930200000000 ] - [ -0.0013053400000000, 0.0000434200000000, -0.0001708500000000 ] - [ -0.0016316700000000, -0.0008069800000000, -0.0010460100000000 ] - [ 0.0001776400000000, 0.0003172700000000, 0.0003346900000000 ] - [ -0.0001779300000000, 0.0006775000000000, 0.0002336000000000 ] - [ 0.0000105400000000, 0.0000730300000000, -0.0000811800000000 ] - [ -0.0002857700000000, 0.0001811500000000, -0.0001883300000000 ] - [ 0.0008774400000000, -0.0008469000000000, -0.0046640900000000 ] - [ -0.0007237800000000, 0.0003349200000000, 0.0000825600000000 ] - [ -0.0005073900000000, 0.0011315800000000, -0.0009635500000000 ] - [ -0.0009529300000000, 0.0003861500000000, -0.0000755400000000 ] - [ -0.0001927900000000, -0.0000714100000000, 0.0001050100000000 ] - [ -0.0002255900000000, -0.0004519800000000, 0.0000913300000000 ] - [ 0.0000601400000000, 0.0003929300000000, 0.0000053900000000 ] - [ -0.0012925400000000, -0.0014140700000000, -0.0002211300000000 ] - [ -0.0001751800000000, -0.0002101700000000, 0.0002642200000000 ] - [ -0.0005156800000000, -0.0001459200000000, 0.0002070700000000 ] - [ -0.0001737600000000, -0.0029533400000000, -0.0037304000000000 ] - [ -0.0005907700000000, 0.0001821900000000, 0.0006009600000000 ] - [ 0.0002041300000000, 0.0000818000000000, -0.0001326400000000 ] - [ 0.0000196000000000, 0.0000868000000000, -0.0001988200000000 ] - [ -0.0007053500000000, 0.0001233200000000, -0.0006257700000000 ] - [ -0.0000945300000000, 0.0011291300000000, -0.0000665800000000 ] - [ 0.0004844000000000, 0.0000760500000000, 0.0005328200000000 ] - [ 0.0000360100000000, 0.0000955000000000, 0.0003821600000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0024428600000000, 0.0025876100000000, -0.0008633600000000 ] - [ 0.0009931500000000, 0.0032567700000000, -0.0002790300000000 ] - [ 0.0073038700000000, 0.0168562200000000, 0.0025917800000000 ] - [ 0.0001901700000000, 0.0011586100000000, -0.0000929300000000 ] - [ -0.0008363900000000, 0.0032370200000000, -0.0002865700000000 ] - [ 0.0002171600000000, 0.0031886300000000, 0.0000739100000000 ] - [ 0.0019310000000000, -0.0045326000000000, 0.0007579800000000 ] - [ -0.0006620700000000, 0.0001705400000000, 0.0002593400000000 ] - [ 0.0002135100000000, -0.0011031400000000, 0.0005330500000000 ] - [ -0.0013630300000000, -0.0011177300000000, 0.0006316000000000 ] - [ 0.0008068700000000, -0.0012899800000000, -0.0000638700000000 ] - [ 0.0001788400000000, 0.0000470200000000, -0.0004661500000000 ] - [ -0.0000455200000000, -0.0008319200000000, 0.0000927200000000 ] - [ -0.0001232200000000, -0.0000014100000000, 0.0000574400000000 ] - [ 0.0007962200000000, -0.0002473800000000, -0.0001872400000000 ] - [ -0.0005131100000000, -0.0008478600000000, -0.0011470200000000 ] - [ -0.0003716000000000, -0.0005750300000000, 0.0000404900000000 ] - [ 0.0003271800000000, -0.0007748500000000, 0.0003050500000000 ] - [ -0.0005276800000000, -0.0005233000000000, -0.0003437100000000 ] - [ 0.0003071200000000, -0.0004879100000000, -0.0001914800000000 ] - [ 0.0001505600000000, -0.0011148900000000, 0.0002236100000000 ] - [ 0.0001577300000000, -0.0003933900000000, 0.0002366400000000 ] - [ -0.0006570500000000, 0.0012547800000000, 0.0001001600000000 ] - [ 0.0002219200000000, 0.0011607900000000, 0.0002324500000000 ] - [ -0.0014589000000000, -0.0013521500000000, -0.0009269400000000 ] - [ 0.0003687900000000, 0.0001424800000000, 0.0000260600000000 ] - [ -0.0001392700000000, 0.0115158800000000, 0.0057328200000000 ] - [ 0.0002938400000000, 0.0003950900000000, 0.0001282100000000 ] - [ -0.0019843500000000, -0.0019855900000000, 0.0001965600000000 ] - [ 0.0004035200000000, -0.0006052500000000, 0.0003140000000000 ] - [ 0.0008482700000000, -0.0023072900000000, -0.0002510900000000 ] - [ 0.0001334300000000, -0.0010427200000000, -0.0001984700000000 ] - [ 0.0007359200000000, -0.0021825400000000, 0.0003004700000000 ] - [ 0.0006495300000000, -0.0011269300000000, 0.0003562100000000 ] - [ 0.0017624100000000, -0.0001149800000000, 0.0001460900000000 ] - [ -0.0023472300000000, 0.0006027000000000, 0.0000542200000000 ] - [ -0.0004143700000000, -0.0013134300000000, -0.0001202200000000 ] - [ -0.0005733600000000, -0.0011283300000000, -0.0001537500000000 ] - [ 0.0022291100000000, 0.0117051900000000, -0.0048988200000000 ] - [ 0.0001231600000000, 0.0004335100000000, -0.0001260900000000 ] - [ 0.0008497700000000, -0.0015384200000000, -0.0004625000000000 ] - [ 0.0008433100000000, -0.0005100500000000, -0.0005400600000000 ] - [ 0.0004772200000000, -0.0016638700000000, 0.0004485500000000 ] - [ -0.0000369000000000, -0.0002287000000000, 0.0000591600000000 ] - [ -0.0002025200000000, -0.0013200500000000, 0.0000633600000000 ] - [ -0.0003623400000000, -0.0011908800000000, 0.0000230300000000 ] - [ 0.0011810400000000, -0.0006249200000000, 0.0012177300000000 ] - [ -0.0012959600000000, -0.0001690000000000, -0.0005301000000000 ] - [ 0.0025753500000000, -0.0032330100000000, -0.0028172100000000 ] - [ -0.0003337200000000, -0.0005495900000000, -0.0000067900000000 ] - [ -0.0000175000000000, 0.0010267400000000, 0.0004262100000000 ] - [ -0.0002008400000000, 0.0000434600000000, 0.0001335300000000 ] - [ 0.0009781700000000, 0.0001214400000000, 0.0000906700000000 ] - [ -0.0013310800000000, -0.0001901800000000, -0.0005026000000000 ] - [ -0.0000743800000000, 0.0001475500000000, 0.0003146700000000 ] - [ 0.0000511100000000, -0.0002626700000000, 0.0003765800000000 ] - [ -0.0002856900000000, 0.0002375000000000, -0.0001079300000000 ] - [ 0.0000037600000000, 0.0004310500000000, -0.0000962900000000 ] - [ 0.0007313700000000, 0.0001625700000000, -0.0005023500000000 ] - [ 0.0001069600000000, -0.0002676000000000, -0.0007560200000000 ] - [ -0.0000248400000000, 0.0006030000000000, 0.0000096300000000 ] - [ -0.0000189500000000, -0.0000892100000000, 0.0000133100000000 ] - [ -0.0143445600000000, -0.0436666000000000, -0.0037533300000000 ] - [ -0.0000628000000000, -0.0002417100000000, 0.0001572000000000 ] - [ -0.0001053900000000, -0.0000626600000000, -0.0001952000000000 ] - [ -0.0006303100000000, -0.0003729200000000, -0.0004107200000000 ] - [ 0.0006435300000000, 0.0004947500000000, 0.0001199600000000 ] - [ 0.0005817000000000, 0.0005739300000000, 0.0000887700000000 ] - [ -0.0002300800000000, 0.0004650900000000, -0.0004467400000000 ] - [ 0.0004723100000000, 0.0000966800000000, -0.0000111400000000 ] - [ -0.0008266100000000, 0.0001295100000000, -0.0000277300000000 ] - [ 0.0001529500000000, 0.0002781200000000, 0.0003439900000000 ] - [ -0.0032542900000000, 0.0007407300000000, 0.0051219700000000 ] - [ 0.0004641200000000, -0.0001904400000000, 0.0002335800000000 ] - [ 0.0050044400000000, 0.0005442300000000, -0.0033056500000000 ] - [ -0.0004244300000000, -0.0004184100000000, -0.0005136500000000 ] - [ -0.0001885000000000, -0.0005192400000000, -0.0046961000000000 ] - [ 0.0005956100000000, -0.0005107600000000, -0.0001489200000000 ] - [ -0.0006493300000000, -0.0005305000000000, -0.0001637300000000 ] - [ 0.0004658100000000, -0.0006662300000000, 0.0004320000000000 ] - [ -0.0007640500000000, 0.0009294500000000, -0.0002142100000000 ] - [ -0.0002702800000000, 0.0001062200000000, 0.0000432200000000 ] - [ -0.0006207200000000, 0.0003788000000000, 0.0003050800000000 ] - [ -0.0006900900000000, -0.0001055400000000, 0.0002818500000000 ] - [ 0.0002771200000000, 0.0010772700000000, -0.0001732700000000 ] - [ -0.0001189900000000, 0.0001577600000000, -0.0000851700000000 ] - [ 0.0005657100000000, 0.0008445200000000, -0.0014067200000000 ] - [ 0.0004412800000000, -0.0007656500000000, 0.0003641500000000 ] - [ 0.0002730200000000, 0.0010044800000000, -0.0001345400000000 ] - [ -0.0006054800000000, 0.0009967500000000, -0.0003067700000000 ] - [ 0.0000059600000000, 0.0005859500000000, -0.0002418300000000 ] - [ -0.0000814200000000, 0.0006887600000000, -0.0002543800000000 ] - [ -0.0007381800000000, -0.0018450800000000, 0.0000498800000000 ] - [ -0.0005785800000000, -0.0001990100000000, 0.0000978600000000 ] - [ -0.0001189600000000, 0.0009680800000000, 0.0000134900000000 ] - [ -0.0002050900000000, 0.0004669700000000, -0.0000260400000000 ] - [ 0.0006261700000000, 0.0007041200000000, -0.0000696900000000 ] - [ 0.0007456900000000, 0.0006256000000000, -0.0000466100000000 ] - [ -0.0004846300000000, 0.0006623600000000, 0.0005995400000000 ] - [ -0.0001521300000000, 0.0000616700000000, 0.0006566700000000 ] - [ -0.0004517700000000, 0.0006072600000000, 0.0001516900000000 ] - [ 0.0005858000000000, 0.0002697200000000, 0.0002455500000000 ] - [ -0.0002621200000000, 0.0020702000000000, 0.0016881300000000 ] - [ 0.0000664400000000, 0.0004400500000000, 0.0001397400000000 ] - [ -0.0000778600000000, 0.0010974100000000, -0.0002429300000000 ] - [ 0.0005634200000000, 0.0003647200000000, -0.0001877900000000 ] - [ -0.0002369000000000, 0.0006588700000000, -0.0007288000000000 ] - [ -0.0000627400000000, 0.0003193800000000, -0.0006754900000000 ] - [ -0.0008153500000000, 0.0037630100000000, -0.0059293500000000 ] - [ 0.0003802100000000, -0.0004574900000000, 0.0001558300000000 ] - [ -0.0000747400000000, 0.0013260100000000, 0.0002271600000000 ] - [ 0.0000462600000000, 0.0009054700000000, 0.0002312900000000 ] - [ -0.0013432600000000, 0.0010652000000000, -0.0008727200000000 ] - [ 0.0011689700000000, -0.0005076400000000, -0.0003841700000000 ] - [ -0.0045761100000000, 0.0024291500000000, 0.0037078200000000 ] - [ 0.0004988700000000, -0.0004110700000000, -0.0000270300000000 ] - [ 0.0004566400000000, -0.0000808400000000, 0.0004089100000000 ] - [ -0.0006912900000000, -0.0006424300000000, 0.0002156200000000 ] - [ 0.0003235600000000, 0.0002492200000000, -0.0002311600000000 ] - [ 0.0004254100000000, -0.0003425800000000, -0.0001782800000000 ] - [ -0.0003643700000000, -0.0018779900000000, -0.0004091700000000 ] - [ 0.0013414500000000, -0.0022765300000000, -0.0001329000000000 ] - [ 0.0000572300000000, 0.0013589200000000, 0.0002565700000000 ] - [ -0.0001138900000000, 0.0008801300000000, 0.0002550400000000 ] - [ 0.0000272800000000, 0.0008381300000000, -0.0001030500000000 ] - [ -0.0001633100000000, 0.0005546000000000, -0.0001664600000000 ] - [ 0.0010688400000000, -0.0030757600000000, 0.0029785200000000 ] - [ 0.0002976600000000, -0.0003524100000000, 0.0003176600000000 ] - [ -0.0003934400000000, -0.0008176800000000, -0.0003782800000000 ] - [ 0.0003641200000000, -0.0002761600000000, -0.0000782600000000 ] - [ -0.0002983200000000, 0.0002348800000000, 0.0000553600000000 ] - [ -0.0001129100000000, 0.0003500400000000, 0.0001649600000000 ] - [ -0.0001530200000000, -0.0001026100000000, 0.0000125300000000 ] - [ 0.0038096000000000, 0.0021644600000000, 0.0004001600000000 ] - [ -0.0002129900000000, 0.0005223700000000, 0.0002881800000000 ] - [ -0.0003763000000000, 0.0002279900000000, 0.0002564000000000 ] - [ 0.0033897300000000, 0.0007656000000000, 0.0058686200000000 ] - [ -0.0000460900000000, -0.0003886100000000, 0.0006697200000000 ] - [ 0.0000371500000000, 0.0006155500000000, -0.0001889500000000 ] - [ 0.0000424500000000, 0.0005849900000000, -0.0001809400000000 ] - [ 0.0007857400000000, 0.0005261400000000, 0.0000544900000000 ] - [ -0.0009680400000000, 0.0000687600000000, -0.0004864400000000 ] - [ 0.0000996200000000, 0.0007677800000000, 0.0004301400000000 ] - [ 0.0002912800000000, 0.0004493000000000, 0.0004763400000000 ]- atom: 63 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020140100000000, -0.0019557800000000, 0.0003444600000000 ] - [ -0.0013901700000000, -0.0026231500000000, -0.0002309100000000 ] - [ -0.0064949400000000, -0.0153159900000000, -0.0026698400000000 ] - [ 0.0000164600000000, -0.0004051000000000, -0.0001714200000000 ] - [ 0.0008904800000000, -0.0017807600000000, 0.0001422900000000 ] - [ -0.0001448600000000, -0.0017342900000000, -0.0002155200000000 ] - [ -0.0023533200000000, 0.0051392800000000, -0.0000682500000000 ] - [ 0.0002499500000000, 0.0004157700000000, 0.0004334000000000 ] - [ -0.0012587100000000, 0.0011085000000000, 0.0001698200000000 ] - [ 0.0003078800000000, 0.0011167700000000, 0.0000761900000000 ] - [ 0.0002457100000000, 0.0012882500000000, -0.0006378300000000 ] - [ 0.0008670200000000, -0.0000440600000000, -0.0002366300000000 ] - [ -0.0000158900000000, 0.0022831600000000, 0.0000501000000000 ] - [ 0.0000594200000000, 0.0014550100000000, 0.0000848400000000 ] - [ -0.0003862100000000, 0.0008398000000000, -0.0005062600000000 ] - [ 0.0009194200000000, 0.0014315000000000, 0.0004434500000000 ] - [ 0.0001612100000000, 0.0013206300000000, 0.0002231300000000 ] - [ -0.0005386500000000, 0.0015212300000000, -0.0000419600000000 ] - [ 0.0001513600000000, 0.0015436700000000, -0.0001724000000000 ] - [ -0.0006850000000000, 0.0015089000000000, -0.0003250100000000 ] - [ 0.0002577800000000, 0.0017511000000000, 0.0002891600000000 ] - [ 0.0002489300000000, 0.0010313700000000, 0.0002757400000000 ] - [ 0.0010394300000000, -0.0002040100000000, 0.0004175500000000 ] - [ 0.0001512900000000, -0.0001330300000000, 0.0002826000000000 ] - [ 0.0011602400000000, 0.0014184500000000, 0.0007456900000000 ] - [ -0.0006717500000000, -0.0000705900000000, -0.0002100400000000 ] - [ 0.0011207300000000, -0.0121413300000000, -0.0053812000000000 ] - [ 0.0006827400000000, -0.0011014800000000, 0.0002171000000000 ] - [ 0.0012145200000000, 0.0005816600000000, 0.0000590200000000 ] - [ -0.0011756200000000, -0.0007891000000000, -0.0000567100000000 ] - [ -0.0000670500000000, 0.0009095700000000, -0.0000108500000000 ] - [ 0.0006374500000000, -0.0003496400000000, -0.0000632300000000 ] - [ 0.0006698300000000, 0.0008092900000000, 0.0004175600000000 ] - [ 0.0007547900000000, -0.0002472600000000, 0.0003606300000000 ] - [ -0.0034860600000000, -0.0000266000000000, 0.0009015100000000 ] - [ 0.0006096500000000, -0.0007495300000000, 0.0009935400000000 ] - [ -0.0005607000000000, 0.0006022500000000, -0.0002216800000000 ] - [ -0.0004023600000000, 0.0004127900000000, -0.0001873600000000 ] - [ -0.0016367700000000, -0.0123149000000000, 0.0047795200000000 ] - [ 0.0004660300000000, -0.0011139600000000, -0.0000149200000000 ] - [ 0.0008777000000000, 0.0013734300000000, -0.0005966800000000 ] - [ 0.0008817300000000, 0.0003437000000000, -0.0005190700000000 ] - [ -0.0001745900000000, 0.0017354000000000, -0.0002543700000000 ] - [ 0.0003342500000000, 0.0003071700000000, 0.0001302600000000 ] - [ -0.0003920300000000, 0.0006310100000000, 0.0000867500000000 ] - [ -0.0002354000000000, 0.0005003900000000, 0.0001267500000000 ] - [ -0.0025891600000000, -0.0007319100000000, -0.0019388000000000 ] - [ -0.0001103900000000, -0.0011958400000000, -0.0001959300000000 ] - [ -0.0037289500000000, 0.0032522800000000, 0.0026721200000000 ] - [ -0.0007826600000000, 0.0006135500000000, -0.0001555500000000 ] - [ -0.0003207000000000, -0.0010579300000000, -0.0001719900000000 ] - [ -0.0001345000000000, -0.0000743100000000, 0.0001237500000000 ] - [ -0.0007427600000000, 0.0002561300000000, -0.0001115700000000 ] - [ 0.0015630100000000, 0.0005691200000000, 0.0004817600000000 ] - [ 0.0000437700000000, -0.0013678300000000, 0.0004353200000000 ] - [ -0.0000809800000000, -0.0009580800000000, 0.0003732000000000 ] - [ -0.0001060900000000, -0.0006720000000000, -0.0001390100000000 ] - [ -0.0003935800000000, -0.0008618500000000, -0.0001504900000000 ] - [ -0.0001059700000000, -0.0004132400000000, -0.0007764700000000 ] - [ 0.0005189000000000, 0.0000133400000000, -0.0005221000000000 ] - [ -0.0001046000000000, -0.0012998400000000, -0.0000078900000000 ] - [ -0.0001091200000000, -0.0006061000000000, -0.0000113100000000 ] - [ 0.0136060400000000, 0.0429860800000000, 0.0038668000000000 ] - [ -0.0001428000000000, 0.0005373200000000, 0.0001805000000000 ] - [ -0.0007504100000000, -0.0012036300000000, -0.0005266200000000 ] - [ -0.0002247100000000, -0.0008940700000000, -0.0003106000000000 ] - [ 0.0004749600000000, -0.0004273700000000, 0.0000429800000000 ] - [ 0.0005373900000000, -0.0005062400000000, 0.0000744300000000 ] - [ 0.0005631900000000, -0.0004988500000000, 0.0001872800000000 ] - [ -0.0001349200000000, -0.0001293800000000, -0.0002449100000000 ] - [ 0.0000418900000000, 0.0002183400000000, 0.0004969500000000 ] - [ -0.0009379900000000, 0.0000679200000000, 0.0001258700000000 ] - [ 0.0034926800000000, -0.0003384800000000, -0.0048162500000000 ] - [ -0.0001972500000000, 0.0006106100000000, 0.0000355800000000 ] - [ -0.0054966600000000, -0.0002231500000000, 0.0024145500000000 ] - [ -0.0000533500000000, 0.0007099400000000, -0.0003895100000000 ] - [ 0.0008815200000000, 0.0002839300000000, 0.0042011600000000 ] - [ 0.0001015500000000, 0.0002978200000000, -0.0003249400000000 ] - [ 0.0007792900000000, -0.0001706300000000, 0.0001625400000000 ] - [ -0.0003365200000000, -0.0000350800000000, -0.0004290000000000 ] - [ -0.0000077400000000, -0.0010698500000000, 0.0002374300000000 ] - [ -0.0005007900000000, -0.0002454300000000, -0.0000208100000000 ] - [ -0.0007811400000000, -0.0009724500000000, 0.0002582300000000 ] - [ -0.0007103900000000, -0.0004876200000000, 0.0002817800000000 ] - [ -0.0003479400000000, -0.0009219500000000, 0.0000672200000000 ] - [ 0.0000517100000000, -0.0000029200000000, -0.0000219900000000 ] - [ 0.0002893100000000, -0.0021075500000000, 0.0021067100000000 ] - [ 0.0004154600000000, -0.0005042300000000, 0.0003575600000000 ] - [ -0.0004859100000000, 0.0000883300000000, -0.0001803000000000 ] - [ 0.0003940300000000, 0.0000948200000000, -0.0000078500000000 ] - [ -0.0001680400000000, -0.0002759100000000, -0.0002810200000000 ] - [ -0.0000803600000000, -0.0003781900000000, -0.0002685000000000 ] - [ -0.0005930900000000, 0.0022013600000000, 0.0000634900000000 ] - [ -0.0007503200000000, 0.0005479100000000, 0.0000161900000000 ] - [ -0.0001141100000000, -0.0005898100000000, 0.0000076400000000 ] - [ -0.0000266300000000, -0.0000920000000000, 0.0000469800000000 ] - [ 0.0007022800000000, -0.0003536900000000, -0.0000441100000000 ] - [ 0.0005843900000000, -0.0002743500000000, -0.0000670500000000 ] - [ -0.0001442700000000, -0.0009148500000000, 0.0006780200000000 ] - [ -0.0004721100000000, -0.0003167100000000, 0.0006217800000000 ] - [ 0.0005159400000000, -0.0004572100000000, -0.0000430700000000 ] - [ -0.0005129900000000, -0.0001162300000000, -0.0001357500000000 ] - [ 0.0004648200000000, -0.0009723600000000, -0.0013558900000000 ] - [ 0.0001469200000000, 0.0006488100000000, 0.0001752400000000 ] - [ 0.0008634600000000, -0.0007469300000000, -0.0002286200000000 ] - [ 0.0002220500000000, -0.0000133100000000, -0.0002829900000000 ] - [ 0.0000341800000000, -0.0005910200000000, -0.0006225800000000 ] - [ -0.0001379000000000, -0.0002523500000000, -0.0006750100000000 ] - [ 0.0012144600000000, -0.0042248400000000, 0.0062507700000000 ] - [ 0.0000120600000000, 0.0000232400000000, 0.0000916400000000 ] - [ 0.0001105100000000, -0.0002265600000000, 0.0001938500000000 ] - [ -0.0000099000000000, 0.0001939500000000, 0.0001901700000000 ] - [ 0.0027266800000000, -0.0016541800000000, 0.0003049100000000 ] - [ 0.0002353200000000, -0.0000893200000000, -0.0001814000000000 ] - [ 0.0050134300000000, -0.0028414800000000, -0.0039796800000000 ] - [ -0.0001018800000000, 0.0000115800000000, -0.0002011900000000 ] - [ -0.0011652100000000, -0.0009525500000000, 0.0000290400000000 ] - [ -0.0000154700000000, -0.0003935900000000, 0.0002224800000000 ] - [ 0.0003816800000000, -0.0012851600000000, -0.0002072400000000 ] - [ 0.0002824300000000, -0.0006949300000000, -0.0002593900000000 ] - [ 0.0004005100000000, 0.0006516800000000, -0.0003413800000000 ] - [ -0.0013061900000000, 0.0010387600000000, -0.0006170800000000 ] - [ -0.0000173600000000, -0.0001318400000000, 0.0003009500000000 ] - [ 0.0001547900000000, 0.0003439500000000, 0.0003036200000000 ] - [ -0.0002907200000000, -0.0004146400000000, -0.0001661200000000 ] - [ -0.0000985000000000, -0.0001308800000000, -0.0001021900000000 ] - [ -0.0009319600000000, 0.0033465800000000, -0.0024881600000000 ] - [ -0.0001338500000000, 0.0006596300000000, 0.0002062700000000 ] - [ 0.0003612000000000, 0.0019121300000000, -0.0000390900000000 ] - [ -0.0004062100000000, 0.0013715900000000, -0.0003436900000000 ] - [ -0.0000974200000000, -0.0006353300000000, 0.0001729400000000 ] - [ -0.0002824600000000, -0.0007485100000000, 0.0000636500000000 ] - [ 0.0009241900000000, -0.0000405600000000, -0.0000332800000000 ] - [ -0.0029923900000000, -0.0022737900000000, -0.0004181600000000 ] - [ -0.0004846400000000, -0.0007320000000000, 0.0001854800000000 ] - [ -0.0003197000000000, -0.0004372700000000, 0.0002176900000000 ] - [ -0.0031991300000000, -0.0006746700000000, -0.0045414700000000 ] - [ 0.0002475400000000, 0.0004555000000000, 0.0006815300000000 ] - [ 0.0001685600000000, -0.0003180100000000, -0.0001489600000000 ] - [ 0.0001641700000000, -0.0002871700000000, -0.0001564300000000 ] - [ -0.0008246800000000, 0.0007001100000000, -0.0006119200000000 ] - [ 0.0009273500000000, 0.0011576100000000, -0.0000719500000000 ] - [ 0.0003755200000000, -0.0004756800000000, 0.0004729600000000 ] - [ 0.0001863800000000, -0.0001577800000000, 0.0004273000000000 ]- atom: 63 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0009531400000000, 0.0002783400000000, 0.0022374900000000 ] - [ 0.0025646400000000, -0.0006273500000000, 0.0003808100000000 ] - [ -0.0017322500000000, 0.0005301300000000, 0.0068078800000000 ] - [ 0.0003559600000000, 0.0003055900000000, -0.0000775800000000 ] - [ 0.0006709200000000, 0.0006531100000000, -0.0029499200000000 ] - [ -0.0020661200000000, 0.0014293100000000, -0.0007347900000000 ] - [ -0.0010459200000000, 0.0003862500000000, 0.0030955600000000 ] - [ -0.0000365700000000, 0.0003861500000000, 0.0004078900000000 ] - [ -0.0005785400000000, 0.0000041900000000, 0.0005951900000000 ] - [ -0.0004610100000000, 0.0000749500000000, 0.0003952300000000 ] - [ 0.0012414500000000, -0.0000028800000000, -0.0033818300000000 ] - [ 0.0003617200000000, -0.0000604900000000, -0.0003859400000000 ] - [ -0.0000507100000000, 0.0007266000000000, 0.0001422200000000 ] - [ -0.0000214400000000, 0.0007209000000000, 0.0000751000000000 ] - [ 0.0002922700000000, 0.0003039300000000, -0.0005964400000000 ] - [ 0.0001015100000000, 0.0001352400000000, -0.0004023400000000 ] - [ -0.0000721400000000, 0.0003628400000000, 0.0000332100000000 ] - [ -0.0001835400000000, 0.0004399300000000, 0.0001139500000000 ] - [ -0.0002110500000000, 0.0005007100000000, -0.0001297900000000 ] - [ -0.0001413100000000, 0.0004130200000000, -0.0002381100000000 ] - [ 0.0002210300000000, 0.0003201000000000, 0.0001862400000000 ] - [ 0.0001922600000000, 0.0003183100000000, 0.0002530500000000 ] - [ 0.0015734200000000, 0.0007457200000000, -0.0052264700000000 ] - [ -0.0000342100000000, 0.0005918400000000, 0.0001929000000000 ] - [ -0.0009732500000000, -0.0018998200000000, -0.0005250100000000 ] - [ -0.0000936500000000, 0.0000137400000000, -0.0003220800000000 ] - [ -0.0091421700000000, 0.0057730800000000, 0.0388688700000000 ] - [ 0.0005125500000000, -0.0003359800000000, 0.0001589400000000 ] - [ 0.0006122700000000, 0.0012077900000000, 0.0002146800000000 ] - [ -0.0004737800000000, -0.0007055100000000, 0.0003551600000000 ] - [ 0.0003070900000000, -0.0011041100000000, -0.0001468500000000 ] - [ 0.0003780900000000, -0.0007015400000000, -0.0001364800000000 ] - [ 0.0007520100000000, -0.0009571900000000, 0.0003469900000000 ] - [ 0.0007050700000000, -0.0006996700000000, 0.0003655300000000 ] - [ 0.0016050300000000, -0.0021278000000000, 0.0013970400000000 ] - [ -0.0009275500000000, -0.0000150900000000, 0.0007788700000000 ] - [ -0.0005015700000000, -0.0003477800000000, -0.0001730000000000 ] - [ -0.0004884900000000, -0.0003666600000000, -0.0001818200000000 ] - [ -0.0097805900000000, -0.0068294700000000, 0.0383807700000000 ] - [ 0.0003067600000000, -0.0003252100000000, -0.0000568200000000 ] - [ 0.0008357100000000, 0.0001982500000000, -0.0005708300000000 ] - [ 0.0008674700000000, -0.0000962300000000, -0.0005348900000000 ] - [ 0.0001659800000000, 0.0004627000000000, 0.0001016300000000 ] - [ 0.0001436500000000, 0.0000369700000000, 0.0000996000000000 ] - [ -0.0002787500000000, -0.0003569200000000, 0.0000801300000000 ] - [ -0.0003061000000000, -0.0003559300000000, 0.0000860100000000 ] - [ -0.0029933000000000, 0.0013745400000000, -0.0007301300000000 ] - [ -0.0005847800000000, -0.0006259800000000, -0.0006343500000000 ] - [ -0.0115285300000000, -0.0044421300000000, 0.0060218400000000 ] - [ -0.0005003400000000, 0.0000276300000000, -0.0002139800000000 ] - [ -0.0002078100000000, 0.0006596900000000, 0.0000976700000000 ] - [ -0.0001915700000000, -0.0000031100000000, 0.0001288100000000 ] - [ -0.0007131100000000, -0.0000370300000000, -0.0001047700000000 ] - [ 0.0004781200000000, 0.0000907300000000, -0.0008131400000000 ] - [ -0.0000081100000000, -0.0006499400000000, 0.0003757100000000 ] - [ -0.0000169200000000, -0.0006067700000000, 0.0003789000000000 ] - [ -0.0002302400000000, -0.0001787800000000, -0.0001361300000000 ] - [ -0.0001839600000000, -0.0002053100000000, -0.0001532500000000 ] - [ -0.0000372000000000, -0.0001128000000000, 0.0005886400000000 ] - [ 0.0003893200000000, -0.0002124900000000, -0.0006141700000000 ] - [ -0.0000293800000000, -0.0003574700000000, -0.0001316400000000 ] - [ -0.0000753800000000, -0.0003584500000000, -0.0000015500000000 ] - [ 0.0345686800000000, 0.0008191400000000, -0.1257563700000000 ] - [ -0.0001578600000000, 0.0001265900000000, 0.0001504800000000 ] - [ -0.0003542400000000, -0.0004868700000000, -0.0003257400000000 ] - [ -0.0004326200000000, -0.0006239300000000, -0.0002833300000000 ] - [ 0.0005651900000000, 0.0000378800000000, 0.0000826700000000 ] - [ 0.0005572100000000, 0.0000379900000000, 0.0001026800000000 ] - [ 0.0003089200000000, -0.0004241600000000, -0.0000819100000000 ] - [ 0.0001637900000000, -0.0000122700000000, -0.0000881100000000 ] - [ -0.0002778000000000, 0.0000279300000000, 0.0002491900000000 ] - [ -0.0004743500000000, 0.0001184300000000, 0.0004118600000000 ] - [ -0.0051585400000000, 0.0072864500000000, 0.0076274500000000 ] - [ 0.0001595100000000, 0.0001974200000000, 0.0001163300000000 ] - [ -0.0070112100000000, -0.0044849500000000, 0.0013295400000000 ] - [ -0.0002339800000000, 0.0001539900000000, -0.0007084500000000 ] - [ 0.0013366200000000, -0.0055591700000000, 0.0075278500000000 ] - [ 0.0003507600000000, -0.0001195800000000, -0.0001963400000000 ] - [ -0.0002019800000000, -0.0003981000000000, 0.0011156900000000 ] - [ 0.0002925400000000, -0.0001989900000000, 0.0000583700000000 ] - [ -0.0003258100000000, -0.0003504000000000, 0.0000555000000000 ] - [ -0.0003953400000000, -0.0000591200000000, 0.0000496000000000 ] - [ -0.0007478600000000, -0.0002986600000000, 0.0004464700000000 ] - [ -0.0006923100000000, -0.0002870800000000, 0.0002843100000000 ] - [ -0.0000960200000000, -0.0005454000000000, -0.0001170600000000 ] - [ -0.0000499200000000, 0.0000889200000000, -0.0000746200000000 ] - [ 0.0001303800000000, -0.0012256500000000, 0.0000518900000000 ] - [ 0.0004385400000000, -0.0006341300000000, 0.0003134900000000 ] - [ -0.0001893100000000, 0.0004272000000000, -0.0001810700000000 ] - [ -0.0000600200000000, 0.0005395800000000, -0.0002315700000000 ] - [ -0.0000917500000000, 0.0001566900000000, -0.0002637500000000 ] - [ -0.0000728800000000, 0.0001584500000000, -0.0002798500000000 ] - [ -0.0021020100000000, 0.0001760700000000, 0.0054132200000000 ] - [ -0.0005947900000000, 0.0001608200000000, 0.0000771600000000 ] - [ -0.0001064000000000, 0.0002643400000000, 0.0000089700000000 ] - [ -0.0001198600000000, 0.0001888600000000, 0.0000178900000000 ] - [ 0.0006715500000000, 0.0001753400000000, -0.0000855600000000 ] - [ 0.0006629400000000, 0.0001760000000000, -0.0000585000000000 ] - [ -0.0002576600000000, -0.0001277700000000, 0.0004664000000000 ] - [ -0.0003184000000000, -0.0001288100000000, 0.0006357200000000 ] - [ -0.0001565700000000, 0.0006641300000000, 0.0000295400000000 ] - [ 0.0000702700000000, 0.0000890200000000, 0.0000278100000000 ] - [ 0.0004546900000000, 0.0009011400000000, 0.0001169300000000 ] - [ 0.0000969400000000, 0.0005439000000000, 0.0002015300000000 ] - [ 0.0003693500000000, 0.0003994900000000, -0.0002310800000000 ] - [ 0.0004014100000000, 0.0001857400000000, -0.0002709000000000 ] - [ -0.0001069800000000, -0.0000042900000000, -0.0006755000000000 ] - [ -0.0000988400000000, 0.0000355500000000, -0.0006743200000000 ] - [ 0.0014823300000000, -0.0062601800000000, 0.0036448200000000 ] - [ 0.0001562300000000, -0.0002142000000000, 0.0001935400000000 ] - [ 0.0000174800000000, 0.0005829900000000, 0.0002092800000000 ] - [ 0.0000184400000000, 0.0005530200000000, 0.0002059600000000 ] - [ 0.0010534700000000, -0.0003233500000000, -0.0016789300000000 ] - [ 0.0006344100000000, -0.0003532800000000, -0.0003127000000000 ] - [ -0.0035633000000000, 0.0049788400000000, 0.0018833000000000 ] - [ 0.0002094600000000, -0.0001950300000000, -0.0001882400000000 ] - [ -0.0001201500000000, -0.0005012100000000, -0.0006449200000000 ] - [ -0.0005088000000000, -0.0002920200000000, 0.0001691200000000 ] - [ 0.0003160300000000, -0.0005306500000000, -0.0000272200000000 ] - [ 0.0003651800000000, -0.0005240600000000, -0.0002135900000000 ] - [ -0.0009273200000000, -0.0004908800000000, -0.0005896400000000 ] - [ 0.0001819100000000, -0.0006801600000000, -0.0013475100000000 ] - [ -0.0000003800000000, 0.0005338600000000, 0.0002688000000000 ] - [ 0.0000217300000000, 0.0006136000000000, 0.0002682400000000 ] - [ -0.0001549200000000, 0.0001480700000000, -0.0001494400000000 ] - [ -0.0001304100000000, 0.0002180900000000, -0.0001434800000000 ] - [ 0.0061223300000000, 0.0035554800000000, 0.0091606200000000 ] - [ 0.0000720800000000, 0.0001447800000000, 0.0004082600000000 ] - [ 0.0009524500000000, 0.0004530200000000, 0.0000628700000000 ] - [ -0.0005323900000000, 0.0005077500000000, 0.0009247800000000 ] - [ -0.0001748200000000, -0.0002249900000000, 0.0001189700000000 ] - [ -0.0002053300000000, -0.0001953600000000, 0.0001413500000000 ] - [ 0.0002711800000000, 0.0000572500000000, -0.0000599800000000 ] - [ 0.0005453100000000, 0.0000102200000000, -0.0000495300000000 ] - [ -0.0003326000000000, -0.0000558900000000, 0.0002273500000000 ] - [ -0.0003529400000000, -0.0000982800000000, 0.0002426300000000 ] - [ 0.0049024400000000, 0.0046133800000000, 0.0054332900000000 ] - [ -0.0000272900000000, 0.0000416400000000, 0.0008848800000000 ] - [ 0.0000941800000000, 0.0001500000000000, -0.0001445300000000 ] - [ 0.0001106200000000, 0.0001436600000000, -0.0001653800000000 ] - [ 0.0006845600000000, 0.0008113600000000, -0.0000048400000000 ] - [ -0.0001591400000000, 0.0005589900000000, 0.0005417800000000 ] - [ 0.0002430500000000, 0.0001810100000000, 0.0004552500000000 ] - [ 0.0002411000000000, 0.0001484000000000, 0.0004519500000000 ]- atom: 63 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ 0.0005325700000000, 0.0003534800000000, -0.0027542600000000 ] - [ -0.0029711700000000, 0.0012664700000000, -0.0009089600000000 ] - [ 0.0019149500000000, 0.0001563900000000, -0.0070865300000000 ] - [ -0.0001439200000000, 0.0004401700000000, -0.0001854000000000 ] - [ -0.0005952700000000, 0.0008027100000000, 0.0028097100000000 ] - [ 0.0021224600000000, 0.0000261200000000, 0.0006014200000000 ] - [ 0.0006394800000000, 0.0001859700000000, -0.0024007800000000 ] - [ -0.0003717300000000, 0.0002024600000000, 0.0002859000000000 ] - [ -0.0004714900000000, 0.0000022200000000, 0.0001064700000000 ] - [ -0.0005833300000000, -0.0000675600000000, 0.0003026700000000 ] - [ -0.0001966800000000, 0.0000199800000000, 0.0026777700000000 ] - [ 0.0006877100000000, 0.0000656200000000, -0.0003166000000000 ] - [ -0.0000123900000000, 0.0007303100000000, 0.0000000600000000 ] - [ -0.0000404600000000, 0.0007343700000000, 0.0000677200000000 ] - [ 0.0001188700000000, 0.0002800600000000, -0.0000977600000000 ] - [ 0.0003095300000000, 0.0004550300000000, -0.0002847600000000 ] - [ -0.0001378800000000, 0.0003863900000000, 0.0002302300000000 ] - [ -0.0000275700000000, 0.0003093800000000, 0.0001496800000000 ] - [ -0.0001653300000000, 0.0005236500000000, -0.0003868800000000 ] - [ -0.0002353900000000, 0.0006116000000000, -0.0002793100000000 ] - [ 0.0001858300000000, 0.0003204400000000, 0.0003258500000000 ] - [ 0.0002159000000000, 0.0003210100000000, 0.0002592900000000 ] - [ -0.0012121100000000, 0.0002497700000000, 0.0057366400000000 ] - [ 0.0004123800000000, 0.0004296200000000, 0.0003229700000000 ] - [ 0.0006725800000000, 0.0019796400000000, 0.0003349600000000 ] - [ -0.0002087400000000, 0.0000602200000000, 0.0001356700000000 ] - [ 0.0108739800000000, -0.0072475400000000, -0.0417693700000000 ] - [ 0.0004667500000000, -0.0003739600000000, 0.0001837100000000 ] - [ -0.0013839000000000, -0.0025973800000000, 0.0000466200000000 ] - [ -0.0002957800000000, -0.0006892900000000, -0.0000977800000000 ] - [ 0.0004624300000000, -0.0002877900000000, -0.0001122600000000 ] - [ 0.0003984700000000, -0.0006913500000000, -0.0001244700000000 ] - [ 0.0006536400000000, -0.0004126800000000, 0.0003685400000000 ] - [ 0.0006998500000000, -0.0006712000000000, 0.0003509200000000 ] - [ -0.0033259700000000, 0.0019635800000000, -0.0003237200000000 ] - [ -0.0007871600000000, -0.0001441500000000, 0.0002760800000000 ] - [ -0.0004758600000000, -0.0003612400000000, -0.0001677200000000 ] - [ -0.0004865400000000, -0.0003439600000000, -0.0001588000000000 ] - [ 0.0095201600000000, 0.0054028200000000, -0.0354731000000000 ] - [ 0.0002893700000000, -0.0003572700000000, -0.0000826400000000 ] - [ 0.0008896900000000, -0.0003611000000000, -0.0004875900000000 ] - [ 0.0008590100000000, -0.0000686000000000, -0.0005238900000000 ] - [ 0.0001324100000000, -0.0003814900000000, 0.0000860000000000 ] - [ 0.0001563200000000, 0.0000393500000000, 0.0000914400000000 ] - [ -0.0003173100000000, -0.0003313900000000, 0.0000692700000000 ] - [ -0.0002899000000000, -0.0003300100000000, 0.0000648200000000 ] - [ 0.0015985100000000, -0.0027518600000000, -0.0000142400000000 ] - [ -0.0008226200000000, -0.0007485400000000, -0.0000926200000000 ] - [ 0.0105725000000000, 0.0045665500000000, -0.0062407700000000 ] - [ -0.0006194100000000, 0.0000379900000000, 0.0000505000000000 ] - [ -0.0001285400000000, -0.0006940200000000, 0.0001608800000000 ] - [ -0.0001446900000000, -0.0000304900000000, 0.0001274400000000 ] - [ 0.0009419500000000, 0.0004097900000000, 0.0000808900000000 ] - [ -0.0002506300000000, 0.0002878800000000, 0.0007893900000000 ] - [ -0.0000218900000000, -0.0005741000000000, 0.0003736800000000 ] - [ -0.0000135800000000, -0.0006164500000000, 0.0003704400000000 ] - [ -0.0001608100000000, -0.0002566100000000, -0.0001121200000000 ] - [ -0.0002081500000000, -0.0002323400000000, -0.0000947900000000 ] - [ 0.0006615800000000, -0.0001467000000000, -0.0018676400000000 ] - [ 0.0002367200000000, -0.0000441000000000, -0.0006653500000000 ] - [ -0.0000991900000000, -0.0003407000000000, 0.0001331100000000 ] - [ -0.0000535600000000, -0.0003395800000000, 0.0000029300000000 ] - [ -0.0347456300000000, 0.0010258800000000, 0.1263440300000000 ] - [ -0.0000491800000000, 0.0001698600000000, 0.0001869000000000 ] - [ -0.0005021200000000, -0.0007850300000000, -0.0003963000000000 ] - [ -0.0004228200000000, -0.0006473700000000, -0.0004388600000000 ] - [ 0.0005539500000000, 0.0000270500000000, 0.0000797200000000 ] - [ 0.0005621500000000, 0.0000266300000000, 0.0000597400000000 ] - [ 0.0000278500000000, 0.0003936000000000, -0.0001722300000000 ] - [ 0.0001719500000000, -0.0000205300000000, -0.0001695000000000 ] - [ -0.0005069400000000, 0.0003221200000000, 0.0002226900000000 ] - [ -0.0003075600000000, 0.0002350100000000, 0.0000592900000000 ] - [ 0.0053474400000000, -0.0067566900000000, -0.0072706700000000 ] - [ 0.0001029500000000, 0.0002245700000000, 0.0001500600000000 ] - [ 0.0064861800000000, 0.0047378800000000, -0.0022399700000000 ] - [ -0.0002444800000000, 0.0001380900000000, -0.0001953200000000 ] - [ -0.0006605700000000, 0.0054206400000000, -0.0080862300000000 ] - [ 0.0003454600000000, -0.0000912400000000, -0.0002784600000000 ] - [ 0.0003239100000000, -0.0002945500000000, -0.0011200600000000 ] - [ -0.0001635500000000, -0.0004965200000000, -0.0000649900000000 ] - [ -0.0004443000000000, 0.0002063600000000, -0.0000347500000000 ] - [ -0.0003763500000000, -0.0000833600000000, -0.0000278100000000 ] - [ -0.0006532300000000, -0.0002985200000000, 0.0001166200000000 ] - [ -0.0007087400000000, -0.0003088800000000, 0.0002786000000000 ] - [ 0.0000286900000000, 0.0006967700000000, 0.0000079500000000 ] - [ -0.0000185700000000, 0.0000635800000000, -0.0000329100000000 ] - [ 0.0007253600000000, -0.0000472900000000, 0.0006878500000000 ] - [ 0.0004172600000000, -0.0006352900000000, 0.0004073600000000 ] - [ -0.0000237200000000, 0.0006607000000000, -0.0001347900000000 ] - [ -0.0001526500000000, 0.0005499100000000, -0.0000838000000000 ] - [ -0.0000700900000000, 0.0001511300000000, -0.0002594800000000 ] - [ -0.0000889600000000, 0.0001490200000000, -0.0002433400000000 ] - [ 0.0007729000000000, 0.0001634100000000, -0.0053003100000000 ] - [ -0.0007344700000000, 0.0001886300000000, 0.0000353900000000 ] - [ -0.0001249100000000, 0.0001083100000000, 0.0000111200000000 ] - [ -0.0001126600000000, 0.0001854900000000, 0.0000022800000000 ] - [ 0.0006583400000000, 0.0001731300000000, -0.0000283500000000 ] - [ 0.0006660600000000, 0.0001721400000000, -0.0000555900000000 ] - [ -0.0003667700000000, -0.0001307100000000, 0.0008116000000000 ] - [ -0.0003083000000000, -0.0001278800000000, 0.0006419600000000 ] - [ 0.0002263000000000, -0.0005082100000000, 0.0000745500000000 ] - [ -0.0000052900000000, 0.0000616500000000, 0.0000777300000000 ] - [ -0.0002349500000000, 0.0001843400000000, 0.0001824700000000 ] - [ 0.0001141300000000, 0.0005458800000000, 0.0001125500000000 ] - [ 0.0004167300000000, -0.0000522200000000, -0.0002387700000000 ] - [ 0.0003839800000000, 0.0001628500000000, -0.0002004600000000 ] - [ -0.0000936000000000, 0.0000694400000000, -0.0006754700000000 ] - [ -0.0001030100000000, 0.0000298900000000, -0.0006771200000000 ] - [ -0.0010753700000000, 0.0057891300000000, -0.0033996500000000 ] - [ 0.0002345800000000, -0.0002216700000000, 0.0000530300000000 ] - [ 0.0000190700000000, 0.0005127600000000, 0.0002114100000000 ] - [ 0.0000177700000000, 0.0005436800000000, 0.0002146500000000 ] - [ 0.0003589700000000, -0.0002841000000000, 0.0011180300000000 ] - [ 0.0007644200000000, -0.0002408400000000, -0.0002487700000000 ] - [ 0.0039763400000000, -0.0054103700000000, -0.0021026000000000 ] - [ 0.0001852900000000, -0.0002059300000000, -0.0000409800000000 ] - [ -0.0005860100000000, -0.0005375500000000, 0.0010824300000000 ] - [ -0.0001977700000000, -0.0007469400000000, 0.0002694700000000 ] - [ 0.0003919400000000, -0.0005073000000000, -0.0004108300000000 ] - [ 0.0003411400000000, -0.0005144100000000, -0.0002251900000000 ] - [ 0.0009584800000000, -0.0007313000000000, -0.0001661600000000 ] - [ -0.0001621600000000, -0.0005383900000000, 0.0005949900000000 ] - [ 0.0000419800000000, 0.0006878300000000, 0.0002902800000000 ] - [ 0.0000195700000000, 0.0006094200000000, 0.0002900400000000 ] - [ -0.0001074500000000, 0.0002723100000000, -0.0001196000000000 ] - [ -0.0001321300000000, 0.0002024100000000, -0.0001254000000000 ] - [ -0.0058673200000000, -0.0032071600000000, -0.0085459400000000 ] - [ 0.0000868200000000, 0.0001643100000000, 0.0001136800000000 ] - [ -0.0009915100000000, 0.0006450300000000, -0.0004786700000000 ] - [ 0.0005027700000000, 0.0005904900000000, -0.0013441100000000 ] - [ -0.0002202100000000, -0.0001762000000000, 0.0001096000000000 ] - [ -0.0001899900000000, -0.0002071300000000, 0.0000864600000000 ] - [ 0.0005021000000000, -0.0001985600000000, 0.0000356300000000 ] - [ 0.0002026100000000, -0.0001687800000000, 0.0000253200000000 ] - [ -0.0003638600000000, -0.0001565900000000, 0.0002458900000000 ] - [ -0.0003437000000000, -0.0001140200000000, 0.0002305300000000 ] - [ -0.0047395200000000, -0.0045821200000000, -0.0040957900000000 ] - [ 0.0002298500000000, 0.0000241800000000, 0.0004664900000000 ] - [ 0.0001128000000000, 0.0001455600000000, -0.0001936000000000 ] - [ 0.0000959100000000, 0.0001516200000000, -0.0001729100000000 ] - [ -0.0007295100000000, 0.0004107400000000, -0.0005540700000000 ] - [ 0.0001205100000000, 0.0006634900000000, -0.0011002700000000 ] - [ 0.0002341800000000, 0.0001082100000000, 0.0004474500000000 ] - [ 0.0002345900000000, 0.0001409100000000, 0.0004506600000000 ]- atom: 65 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ 0.0009645900000000, 0.0006527200000000, 0.0002737200000000 ] - [ -0.0010332400000000, 0.0001506300000000, -0.0004679200000000 ] - [ -0.0000715000000000, 0.0000670000000000, -0.0002043700000000 ] - [ 0.0002476700000000, 0.0004290900000000, -0.0000757000000000 ] - [ 0.0014986000000000, 0.0000997400000000, 0.0001399300000000 ] - [ -0.0006556800000000, 0.0007049100000000, -0.0002571100000000 ] - [ -0.0017348300000000, -0.0003173900000000, -0.0013579500000000 ] - [ -0.0001824300000000, 0.0019110000000000, 0.0007308100000000 ] - [ -0.0001369600000000, -0.0002182900000000, 0.0004679700000000 ] - [ -0.0008631100000000, -0.0000591700000000, 0.0002607100000000 ] - [ -0.0018740100000000, -0.0011761200000000, 0.0003977100000000 ] - [ -0.0027831400000000, 0.0034611800000000, -0.0015271700000000 ] - [ -0.0002070000000000, 0.0014998400000000, -0.0002899400000000 ] - [ -0.0003690200000000, -0.0001604600000000, 0.0001681600000000 ] - [ 0.0005457500000000, 0.0000333200000000, -0.0002709300000000 ] - [ -0.0000882900000000, 0.0002718500000000, -0.0004208900000000 ] - [ 0.0041245700000000, 0.0003615500000000, 0.0001609900000000 ] - [ -0.0013125400000000, 0.0006508500000000, -0.0002153800000000 ] - [ 0.0068803800000000, 0.0030075200000000, -0.0034581800000000 ] - [ -0.0016387000000000, 0.0008349100000000, -0.0006317900000000 ] - [ -0.0001316600000000, 0.0009229600000000, 0.0003496700000000 ] - [ -0.0000684000000000, -0.0009061100000000, 0.0000000500000000 ] - [ 0.0000300900000000, 0.0002140500000000, 0.0002444900000000 ] - [ 0.0002918700000000, 0.0005646700000000, 0.0002705400000000 ] - [ 0.0173125700000000, 0.0205949000000000, 0.0039948400000000 ] - [ -0.0013800700000000, 0.0003006900000000, -0.0003212600000000 ] - [ 0.0003637500000000, -0.0013468000000000, 0.0000376400000000 ] - [ 0.0001528700000000, 0.0001756100000000, 0.0001823000000000 ] - [ 0.0010201600000000, -0.0005950300000000, 0.0024419800000000 ] - [ -0.0015255800000000, -0.0004751700000000, -0.0002720600000000 ] - [ 0.0004936300000000, -0.0006314600000000, -0.0000882500000000 ] - [ 0.0002487800000000, -0.0009686900000000, -0.0001891400000000 ] - [ -0.0032340000000000, 0.0023183200000000, -0.0013846500000000 ] - [ -0.0015978900000000, -0.0017023600000000, 0.0002769800000000 ] - [ -0.0005817100000000, -0.0002511700000000, 0.0006093200000000 ] - [ -0.0011272900000000, -0.0001258500000000, 0.0004529800000000 ] - [ 0.0015298100000000, 0.0006274500000000, 0.0003876600000000 ] - [ -0.0011388900000000, -0.0004963500000000, -0.0003479100000000 ] - [ 0.0002408300000000, -0.0009828300000000, 0.0000625000000000 ] - [ 0.0000528500000000, 0.0002212300000000, -0.0002351000000000 ] - [ 0.0007469100000000, 0.0008350900000000, 0.0003160800000000 ] - [ -0.0006822500000000, -0.0010392000000000, -0.0014028600000000 ] - [ 0.0002396900000000, 0.0001830800000000, 0.0000958300000000 ] - [ -0.0000067500000000, -0.0002397100000000, 0.0000761800000000 ] - [ 0.0006053400000000, -0.0005679200000000, 0.0005274900000000 ] - [ -0.0008985600000000, -0.0004522600000000, -0.0000900200000000 ] - [ -0.0003945000000000, -0.0008797200000000, -0.0002970200000000 ] - [ -0.0009674200000000, -0.0007313600000000, -0.0004300400000000 ] - [ -0.0003889900000000, 0.0002760400000000, -0.0000271500000000 ] - [ -0.0006994400000000, -0.0001288800000000, -0.0001379000000000 ] - [ 0.0090186600000000, 0.0038871000000000, 0.0053988500000000 ] - [ 0.0009537300000000, -0.0004390500000000, 0.0002595000000000 ] - [ -0.0007786100000000, -0.0000430400000000, -0.0005017200000000 ] - [ 0.0007186800000000, 0.0003908700000000, 0.0002171400000000 ] - [ 0.0002611600000000, -0.0010248100000000, 0.0003847800000000 ] - [ -0.0002422900000000, -0.0000204500000000, 0.0006328900000000 ] - [ -0.0004041400000000, -0.0000977700000000, -0.0001905200000000 ] - [ -0.0000200600000000, -0.0001838900000000, -0.0000859600000000 ] - [ 0.0014696900000000, 0.0039116800000000, -0.0040252700000000 ] - [ 0.0009640300000000, -0.0003205400000000, -0.0004490500000000 ] - [ 0.0002032100000000, -0.0009050800000000, 0.0007888900000000 ] - [ 0.0004773200000000, 0.0000878400000000, -0.0000237200000000 ] - [ -0.0000695800000000, 0.0004701000000000, 0.0002545600000000 ] - [ -0.0000362400000000, -0.0000546300000000, 0.0001819000000000 ] - [ -0.0366534100000000, -0.0304458300000000, -0.0035911300000000 ] - [ 0.0001651700000000, -0.0005850300000000, -0.0002461100000000 ] - [ -0.0007757800000000, 0.0029519800000000, 0.0002200800000000 ] - [ 0.0009837800000000, -0.0000528400000000, 0.0001634100000000 ] - [ 0.0000079800000000, 0.0000116800000000, -0.0001784700000000 ] - [ 0.0003184900000000, 0.0000556800000000, -0.0000798600000000 ] - [ -0.0005208200000000, 0.0002472000000000, 0.0001997700000000 ] - [ -0.0002509200000000, 0.0002297100000000, 0.0002784600000000 ] - [ 0.0000376700000000, 0.0004304800000000, 0.0000931700000000 ] - [ 0.0002312200000000, 0.0001186300000000, 0.0001768800000000 ] - [ -0.0005268600000000, 0.0005321200000000, -0.0009342200000000 ] - [ 0.0001498900000000, 0.0000393100000000, -0.0002906900000000 ] - [ 0.0002358000000000, 0.0001778400000000, -0.0002657500000000 ] - [ 0.0004792700000000, -0.0002059200000000, -0.0002205300000000 ] - [ -0.0000680700000000, -0.0002386600000000, -0.0000434000000000 ] - [ 0.0001797900000000, -0.0003216700000000, 0.0000326900000000 ] - [ 0.0002878400000000, -0.0002710400000000, 0.0000184200000000 ] - [ 0.0022317700000000, 0.0000689200000000, 0.0052754300000000 ] - [ 0.0013187000000000, -0.0011843100000000, -0.0009275400000000 ] - [ 0.0002722600000000, -0.0000021500000000, 0.0006494100000000 ] - [ -0.0002408200000000, 0.0000347000000000, -0.0003894800000000 ] - [ 0.0008910400000000, -0.0002465800000000, 0.0003157200000000 ] - [ 0.0004265400000000, -0.0005690800000000, 0.0003655300000000 ] - [ 0.0004274400000000, -0.0005705300000000, 0.0003489700000000 ] - [ -0.0012123500000000, -0.0002907500000000, -0.0015217700000000 ] - [ 0.0005808200000000, 0.0004916100000000, 0.0000702400000000 ] - [ 0.0001440500000000, 0.0010817200000000, -0.0010318600000000 ] - [ 0.0003396800000000, 0.0000655500000000, -0.0001163800000000 ] - [ -0.0005462100000000, 0.0007376600000000, -0.0000195900000000 ] - [ -0.0004400100000000, -0.0002843000000000, 0.0001189400000000 ] - [ -0.0000253200000000, 0.0000460800000000, 0.0000562700000000 ] - [ -0.0002056900000000, 0.0004789400000000, -0.0000079000000000 ] - [ 0.0000036300000000, 0.0000939100000000, 0.0000030600000000 ] - [ 0.0009311000000000, 0.0002466400000000, 0.0000038000000000 ] - [ -0.0004236700000000, -0.0001905000000000, 0.0006405700000000 ] - [ -0.0001882100000000, 0.0000170300000000, 0.0006645800000000 ] - [ -0.0001018000000000, 0.0001192800000000, 0.0000234000000000 ] - [ 0.0001775000000000, 0.0001442500000000, 0.0000863000000000 ] - [ 0.0001439000000000, 0.0006032300000000, 0.0001668300000000 ] - [ 0.0000695800000000, 0.0006181000000000, 0.0001563500000000 ] - [ 0.0018747700000000, -0.0002092500000000, 0.0001436500000000 ] - [ 0.0059686200000000, 0.0000456100000000, -0.0036261700000000 ] - [ -0.0001891800000000, -0.0003605900000000, -0.0007435400000000 ] - [ 0.0001500500000000, 0.0002361300000000, -0.0006258000000000 ] - [ 0.0003426500000000, 0.0002255500000000, 0.0000600100000000 ] - [ 0.0002741400000000, -0.0010165700000000, 0.0003604600000000 ] - [ 0.0005787000000000, -0.0001174100000000, 0.0003722400000000 ] - [ 0.0004637200000000, 0.0015060600000000, 0.0001189900000000 ] - [ 0.0005746900000000, -0.0001989900000000, -0.0003096700000000 ] - [ 0.0008086900000000, -0.0002837500000000, -0.0002535400000000 ] - [ 0.0008358100000000, 0.0005521500000000, 0.0000848200000000 ] - [ 0.0002149200000000, -0.0010425000000000, -0.0003221200000000 ] - [ -0.0030789000000000, -0.0010509800000000, -0.0003245900000000 ] - [ 0.0001569300000000, -0.0006088900000000, 0.0003379600000000 ] - [ 0.0003324400000000, -0.0005901500000000, -0.0002509900000000 ] - [ 0.0004220800000000, -0.0003070500000000, -0.0001936600000000 ] - [ -0.0001786500000000, -0.0005645100000000, -0.0004827400000000 ] - [ 0.0001933500000000, -0.0005524700000000, -0.0003007100000000 ] - [ 0.0001615400000000, 0.0004623700000000, 0.0003071600000000 ] - [ -0.0000665000000000, 0.0009139100000000, 0.0002430400000000 ] - [ -0.0014382500000000, -0.0000079100000000, -0.0011375600000000 ] - [ 0.0004782000000000, 0.0004110700000000, 0.0001292900000000 ] - [ 0.0002795100000000, 0.0003267200000000, 0.0002989700000000 ] - [ -0.0001611000000000, 0.0000262300000000, 0.0002304200000000 ] - [ -0.0003035400000000, 0.0005744000000000, -0.0002292600000000 ] - [ 0.0001690100000000, 0.0006126500000000, -0.0001918500000000 ] - [ -0.0005430900000000, 0.0001149300000000, 0.0000560300000000 ] - [ 0.0000220500000000, -0.0002084400000000, 0.0001771300000000 ] - [ 0.0002634500000000, -0.0000039200000000, -0.0000401400000000 ] - [ 0.0005279900000000, -0.0000088200000000, 0.0000178500000000 ] - [ 0.0000689600000000, -0.0057945900000000, 0.0026900300000000 ] - [ 0.0003617000000000, 0.0001153700000000, 0.0003069600000000 ] - [ -0.0005419200000000, 0.0012060500000000, 0.0008378100000000 ] - [ 0.0005216700000000, -0.0000970000000000, 0.0007321400000000 ] - [ -0.0005688000000000, 0.0000114300000000, -0.0006555900000000 ] - [ 0.0004397900000000, 0.0001344500000000, -0.0000686200000000 ] - [ -0.0017910700000000, -0.0023420000000000, -0.0001230400000000 ] - [ 0.0006677800000000, 0.0007656900000000, -0.0001677500000000 ] - [ 0.0000636900000000, 0.0000557500000000, 0.0003784900000000 ] - [ 0.0004567500000000, 0.0003100100000000, 0.0005322700000000 ]- atom: 65 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ -0.0013774000000000, -0.0000033600000000, -0.0007843700000000 ] - [ 0.0006254600000000, 0.0004849000000000, -0.0000447700000000 ] - [ 0.0002843400000000, 0.0006799400000000, -0.0000587100000000 ] - [ -0.0000379500000000, 0.0003183200000000, -0.0001881100000000 ] - [ -0.0014322900000000, 0.0013592900000000, -0.0002858100000000 ] - [ 0.0007191600000000, 0.0007467400000000, 0.0001140000000000 ] - [ 0.0013247800000000, 0.0009029600000000, 0.0020423100000000 ] - [ -0.0002338100000000, -0.0013300300000000, -0.0000470300000000 ] - [ -0.0009097500000000, 0.0002207000000000, 0.0002337200000000 ] - [ -0.0001841300000000, 0.0000637400000000, 0.0004416500000000 ] - [ 0.0029173500000000, 0.0011723800000000, -0.0010920200000000 ] - [ 0.0038391500000000, -0.0034824500000000, 0.0008347100000000 ] - [ 0.0001476400000000, -0.0000426400000000, 0.0004335100000000 ] - [ 0.0002999700000000, 0.0016145400000000, -0.0000285400000000 ] - [ -0.0001354400000000, 0.0005534600000000, -0.0004222700000000 ] - [ 0.0004990000000000, 0.0003170500000000, -0.0002723000000000 ] - [ -0.0043387000000000, 0.0004839300000000, 0.0002261500000000 ] - [ 0.0011024400000000, 0.0001000400000000, 0.0004794000000000 ] - [ -0.0072377000000000, -0.0020209300000000, 0.0029945400000000 ] - [ 0.0012618000000000, 0.0001913500000000, 0.0001151800000000 ] - [ 0.0005423300000000, -0.0002809200000000, 0.0001640100000000 ] - [ 0.0004717700000000, 0.0015451800000000, 0.0005130800000000 ] - [ 0.0003486300000000, 0.0008080700000000, 0.0002719000000000 ] - [ 0.0000834300000000, 0.0004580600000000, 0.0002449200000000 ] - [ -0.0176448600000000, -0.0200112100000000, -0.0040804100000000 ] - [ 0.0010791600000000, -0.0002276000000000, 0.0001369100000000 ] - [ 0.0006204000000000, 0.0006344600000000, 0.0003072700000000 ] - [ 0.0008241200000000, -0.0008865300000000, 0.0001617600000000 ] - [ -0.0017847200000000, -0.0007969800000000, -0.0021694500000000 ] - [ 0.0007556000000000, -0.0009192800000000, 0.0005304500000000 ] - [ 0.0002825100000000, -0.0007618300000000, -0.0001720400000000 ] - [ 0.0005242700000000, -0.0004242900000000, -0.0000721900000000 ] - [ 0.0046280800000000, -0.0036668600000000, 0.0020895800000000 ] - [ 0.0030141400000000, 0.0003418900000000, 0.0004399500000000 ] - [ -0.0011410000000000, 0.0000945800000000, 0.0004439200000000 ] - [ -0.0005969400000000, -0.0000320000000000, 0.0005997000000000 ] - [ -0.0025007200000000, -0.0013437600000000, -0.0007251600000000 ] - [ 0.0001620900000000, -0.0002129000000000, 0.0000062700000000 ] - [ 0.0003543100000000, 0.0002979800000000, -0.0002009200000000 ] - [ 0.0005363600000000, -0.0009070400000000, 0.0000949900000000 ] - [ 0.0009828700000000, -0.0009969400000000, -0.0013677300000000 ] - [ 0.0024088700000000, 0.0008810100000000, 0.0003468900000000 ] - [ 0.0000620800000000, -0.0001063100000000, 0.0000941700000000 ] - [ 0.0003076300000000, 0.0003188600000000, 0.0001146700000000 ] - [ -0.0011915200000000, -0.0001247900000000, -0.0003784300000000 ] - [ 0.0003030500000000, -0.0002343400000000, 0.0002397500000000 ] - [ -0.0010101500000000, -0.0004915100000000, -0.0004286700000000 ] - [ -0.0004374700000000, -0.0006401900000000, -0.0002965300000000 ] - [ -0.0007305800000000, -0.0002094300000000, -0.0001359900000000 ] - [ -0.0004168500000000, 0.0001937700000000, -0.0000249200000000 ] - [ -0.0092031500000000, -0.0038352600000000, -0.0050404700000000 ] - [ -0.0012934100000000, 0.0004094100000000, -0.0000023300000000 ] - [ 0.0010152300000000, 0.0004151800000000, 0.0004796500000000 ] - [ -0.0004851200000000, -0.0000153000000000, -0.0002376000000000 ] - [ -0.0002904400000000, -0.0002007100000000, 0.0003641400000000 ] - [ 0.0002212400000000, -0.0012046400000000, 0.0001166900000000 ] - [ 0.0000133600000000, -0.0003348300000000, -0.0000565700000000 ] - [ -0.0003702600000000, -0.0002518000000000, -0.0001612800000000 ] - [ -0.0008509800000000, -0.0041393900000000, 0.0027290500000000 ] - [ -0.0003384500000000, 0.0000656900000000, -0.0008294500000000 ] - [ -0.0003320000000000, 0.0002036300000000, -0.0007844800000000 ] - [ -0.0006046700000000, -0.0007903200000000, 0.0000292300000000 ] - [ -0.0001368900000000, -0.0001742700000000, 0.0000830600000000 ] - [ -0.0001680400000000, 0.0003507600000000, 0.0001564300000000 ] - [ 0.0356334200000000, 0.0286134800000000, 0.0025152400000000 ] - [ -0.0010197900000000, -0.0006843900000000, -0.0004755000000000 ] - [ 0.0019115100000000, -0.0028841600000000, -0.0000583000000000 ] - [ 0.0001357600000000, 0.0001166200000000, -0.0000001300000000 ] - [ 0.0003280000000000, -0.0000435300000000, -0.0000785900000000 ] - [ 0.0000184600000000, -0.0000875700000000, -0.0001769500000000 ] - [ -0.0002627600000000, 0.0001029500000000, 0.0002707600000000 ] - [ -0.0005333000000000, 0.0001205700000000, 0.0001919800000000 ] - [ 0.0002266900000000, -0.0000088200000000, 0.0001753300000000 ] - [ 0.0000348400000000, 0.0003032300000000, 0.0000919900000000 ] - [ 0.0000468200000000, -0.0002434300000000, 0.0000276200000000 ] - [ -0.0006265100000000, 0.0002530100000000, -0.0006118800000000 ] - [ 0.0004599900000000, -0.0003892500000000, -0.0002087700000000 ] - [ 0.0002183900000000, -0.0000050600000000, -0.0002537400000000 ] - [ 0.0001964400000000, -0.0004591400000000, 0.0000413900000000 ] - [ -0.0000515500000000, -0.0003754600000000, -0.0000346700000000 ] - [ -0.0010572100000000, 0.0001297000000000, 0.0000032500000000 ] - [ -0.0030241900000000, -0.0002095000000000, -0.0053310700000000 ] - [ -0.0027012200000000, 0.0005823600000000, 0.0014813400000000 ] - [ -0.0016750300000000, -0.0005949400000000, -0.0000888100000000 ] - [ 0.0001678400000000, 0.0001210300000000, 0.0002782800000000 ] - [ -0.0009589400000000, 0.0004008100000000, -0.0004236300000000 ] - [ 0.0004293000000000, -0.0006990000000000, 0.0003556800000000 ] - [ 0.0004294900000000, -0.0006978200000000, 0.0003725300000000 ] - [ 0.0010019400000000, 0.0013755900000000, 0.0012117500000000 ] - [ -0.0007920300000000, 0.0005978700000000, -0.0003847400000000 ] - [ -0.0003053900000000, -0.0007575800000000, 0.0005201000000000 ] - [ -0.0005010100000000, 0.0002410900000000, -0.0004065500000000 ] - [ -0.0007844400000000, -0.0003876000000000, 0.0001327200000000 ] - [ -0.0008875200000000, 0.0006346400000000, -0.0000049800000000 ] - [ -0.0002067300000000, 0.0003274700000000, -0.0000356600000000 ] - [ -0.0000244700000000, -0.0001040100000000, 0.0000288200000000 ] - [ 0.0013238400000000, 0.0002550100000000, -0.0001163900000000 ] - [ 0.0003994400000000, 0.0001006300000000, -0.0001171900000000 ] - [ -0.0002019400000000, -0.0000654900000000, 0.0006376600000000 ] - [ -0.0004357100000000, -0.0002727000000000, 0.0006141000000000 ] - [ 0.0001697100000000, 0.0000337000000000, 0.0000842100000000 ] - [ -0.0001087000000000, 0.0000084100000000, 0.0000215200000000 ] - [ 0.0000684900000000, 0.0004871900000000, 0.0001479200000000 ] - [ 0.0001440200000000, 0.0004724400000000, 0.0001587700000000 ] - [ -0.0010825600000000, 0.0005566600000000, -0.0006130800000000 ] - [ -0.0052818600000000, 0.0003035800000000, 0.0032278700000000 ] - [ -0.0000127900000000, 0.0004257800000000, -0.0006072900000000 ] - [ -0.0003490700000000, -0.0001715100000000, -0.0007238000000000 ] - [ 0.0000476100000000, -0.0006581400000000, 0.0001868500000000 ] - [ 0.0001203700000000, 0.0005845900000000, -0.0001125800000000 ] - [ -0.0005421200000000, 0.0012111700000000, 0.0000499500000000 ] - [ -0.0004237400000000, -0.0004150800000000, 0.0003053100000000 ] - [ 0.0008262600000000, -0.0003955000000000, -0.0002537100000000 ] - [ 0.0005927300000000, -0.0003100900000000, -0.0003097600000000 ] - [ -0.0004386500000000, -0.0009485700000000, -0.0003136000000000 ] - [ 0.0001842500000000, 0.0006450500000000, 0.0000943900000000 ] - [ 0.0023789100000000, -0.0000250700000000, 0.0007157700000000 ] - [ -0.0008634200000000, -0.0004286200000000, 0.0001001500000000 ] - [ 0.0003751700000000, -0.0004481400000000, -0.0001869400000000 ] - [ 0.0002869100000000, -0.0007307600000000, -0.0002439700000000 ] - [ 0.0002107600000000, -0.0006599100000000, -0.0002670700000000 ] - [ -0.0001618100000000, -0.0006695200000000, -0.0004490000000000 ] - [ -0.0001207100000000, 0.0007600900000000, 0.0002514600000000 ] - [ 0.0001092600000000, 0.0003097900000000, 0.0003162800000000 ] - [ 0.0011724300000000, 0.0004275800000000, 0.0008687800000000 ] - [ -0.0007392500000000, 0.0000086600000000, -0.0003982300000000 ] - [ -0.0001183700000000, -0.0000178700000000, 0.0002241600000000 ] - [ 0.0003243600000000, 0.0002813000000000, 0.0002935700000000 ] - [ 0.0002674200000000, 0.0005210900000000, -0.0001911000000000 ] - [ -0.0002046400000000, 0.0004859600000000, -0.0002289600000000 ] - [ 0.0001483500000000, -0.0005149700000000, 0.0001726000000000 ] - [ -0.0004172600000000, -0.0001939400000000, 0.0000515300000000 ] - [ 0.0005095100000000, -0.0001367400000000, 0.0000185400000000 ] - [ 0.0002444900000000, -0.0001317000000000, -0.0000394000000000 ] - [ -0.0007710600000000, 0.0055363700000000, -0.0021950500000000 ] - [ -0.0010577000000000, -0.0003286800000000, 0.0001675300000000 ] - [ 0.0007373700000000, -0.0011438500000000, 0.0005126400000000 ] - [ -0.0003188900000000, 0.0001639500000000, 0.0006188900000000 ] - [ 0.0007689100000000, 0.0002897300000000, 0.0003152200000000 ] - [ -0.0002324700000000, 0.0001594800000000, -0.0002690500000000 ] - [ 0.0017711300000000, 0.0035503500000000, -0.0004338800000000 ] - [ -0.0007074400000000, 0.0004589300000000, -0.0003906400000000 ] - [ 0.0004121300000000, 0.0002339200000000, 0.0005241800000000 ] - [ 0.0000222500000000, -0.0000209600000000, 0.0003709600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011898500000000, -0.0027404900000000, -0.0017131100000000 ] - [ -0.0005163900000000, 0.0001619300000000, -0.0003477500000000 ] - [ -0.0002059700000000, -0.0007038400000000, -0.0002273200000000 ] - [ 0.0003661500000000, -0.0010468900000000, -0.0000551500000000 ] - [ -0.0001209500000000, -0.0024976800000000, 0.0015146800000000 ] - [ -0.0000462900000000, 0.0004848600000000, -0.0000840400000000 ] - [ -0.0013070100000000, 0.0013971000000000, -0.0005803800000000 ] - [ 0.0005450000000000, 0.0028501100000000, 0.0005770400000000 ] - [ -0.0004313100000000, -0.0020169200000000, 0.0004593600000000 ] - [ -0.0005942400000000, -0.0007088900000000, 0.0003278600000000 ] - [ -0.0015804500000000, 0.0011724000000000, -0.0001898800000000 ] - [ 0.0045981900000000, 0.0020262500000000, 0.0005843900000000 ] - [ 0.0010404500000000, 0.0004528700000000, 0.0006650200000000 ] - [ -0.0016001800000000, -0.0003354500000000, -0.0004604500000000 ] - [ 0.0003125500000000, -0.0016775300000000, -0.0003694100000000 ] - [ 0.0002013600000000, -0.0004414400000000, -0.0003368100000000 ] - [ 0.0001673700000000, 0.0178294900000000, 0.0146332300000000 ] - [ -0.0002430000000000, 0.0013214900000000, 0.0001163000000000 ] - [ 0.0028632800000000, 0.0130518700000000, -0.0076890000000000 ] - [ -0.0004336500000000, 0.0015030100000000, -0.0003379900000000 ] - [ 0.0010188700000000, 0.0000918300000000, 0.0003144500000000 ] - [ -0.0018415900000000, -0.0017743000000000, -0.0002190000000000 ] - [ -0.0001422800000000, -0.0005888500000000, 0.0002026100000000 ] - [ 0.0004683000000000, -0.0009377900000000, 0.0003375700000000 ] - [ 0.0205651000000000, 0.0540643200000000, 0.0094170500000000 ] - [ -0.0001980000000000, 0.0006675700000000, -0.0001628800000000 ] - [ -0.0009540300000000, -0.0016101500000000, -0.0002355700000000 ] - [ 0.0011968100000000, -0.0008123100000000, 0.0002289100000000 ] - [ -0.0000791700000000, 0.0017567400000000, 0.0002464300000000 ] - [ -0.0004515400000000, -0.0000963100000000, 0.0001788300000000 ] - [ 0.0006786900000000, -0.0016763800000000, -0.0000158800000000 ] - [ 0.0000854700000000, -0.0017070900000000, -0.0002503400000000 ] - [ 0.0029750000000000, 0.0034902500000000, 0.0009068300000000 ] - [ -0.0001466900000000, 0.0008801600000000, 0.0001687200000000 ] - [ -0.0009491400000000, -0.0015106900000000, 0.0005404700000000 ] - [ -0.0008403700000000, -0.0007416700000000, 0.0005445100000000 ] - [ 0.0010341800000000, -0.0039205200000000, 0.0002901200000000 ] - [ -0.0008775200000000, -0.0002968000000000, -0.0002687600000000 ] - [ -0.0006483900000000, -0.0011636200000000, -0.0002176300000000 ] - [ 0.0009307500000000, -0.0007767200000000, 0.0002583100000000 ] - [ 0.0018742300000000, 0.0020407300000000, -0.0002573200000000 ] - [ -0.0001959500000000, 0.0015865400000000, -0.0008498500000000 ] - [ 0.0004849000000000, -0.0010830200000000, 0.0001685800000000 ] - [ -0.0001900900000000, -0.0009853400000000, 0.0000499600000000 ] - [ 0.0010591000000000, -0.0019546700000000, 0.0001085500000000 ] - [ -0.0006988800000000, -0.0003063900000000, -0.0000338900000000 ] - [ -0.0007944000000000, -0.0023477800000000, -0.0004191700000000 ] - [ -0.0006725100000000, -0.0013619900000000, -0.0003723700000000 ] - [ -0.0003088900000000, 0.0004249300000000, -0.0000092100000000 ] - [ -0.0011196900000000, 0.0007542900000000, -0.0001605200000000 ] - [ 0.0053278700000000, -0.0020172500000000, 0.0025631600000000 ] - [ -0.0001825000000000, -0.0006785800000000, 0.0002208800000000 ] - [ -0.0007455500000000, -0.0000829600000000, -0.0003213900000000 ] - [ 0.0003221100000000, 0.0001033100000000, 0.0000501100000000 ] - [ -0.0003785700000000, -0.0009361200000000, 0.0002637300000000 ] - [ 0.0017610500000000, -0.0005267600000000, 0.0010181600000000 ] - [ -0.0001822600000000, 0.0008984400000000, -0.0001449000000000 ] - [ -0.0001213300000000, 0.0000224100000000, -0.0001274600000000 ] - [ 0.0047793300000000, 0.0025789500000000, -0.0049536600000000 ] - [ 0.0001752500000000, -0.0003846300000000, -0.0006790900000000 ] - [ -0.0005682500000000, -0.0016851600000000, -0.0002042400000000 ] - [ 0.0003161300000000, -0.0013537900000000, 0.0001972800000000 ] - [ 0.0003459600000000, 0.0007179700000000, 0.0004428200000000 ] - [ -0.0002856500000000, 0.0004075000000000, 0.0001325700000000 ] - [ -0.0307909800000000, -0.1043977200000000, -0.0213421600000000 ] - [ -0.0003769100000000, -0.0011124200000000, -0.0003738100000000 ] - [ 0.0026395800000000, 0.0071199300000000, -0.0001900500000000 ] - [ 0.0004771800000000, -0.0002022500000000, 0.0000779500000000 ] - [ 0.0001268100000000, 0.0007228900000000, -0.0001214200000000 ] - [ 0.0002850000000000, 0.0003793200000000, -0.0000949700000000 ] - [ -0.0003360900000000, 0.0010526600000000, 0.0002884600000000 ] - [ -0.0002895100000000, 0.0005598200000000, 0.0002794300000000 ] - [ 0.0002547600000000, 0.0008529900000000, 0.0001745300000000 ] - [ -0.0000623800000000, 0.0005984500000000, 0.0000802000000000 ] - [ 0.0002887800000000, 0.0009875200000000, -0.0002996500000000 ] - [ -0.0003856600000000, 0.0000980800000000, -0.0005193300000000 ] - [ 0.0005562500000000, 0.0006850500000000, -0.0002470400000000 ] - [ 0.0001653400000000, 0.0002726700000000, -0.0002839400000000 ] - [ 0.0000418600000000, 0.0006029300000000, -0.0000463800000000 ] - [ 0.0000478500000000, 0.0000212100000000, -0.0000059900000000 ] - [ -0.0002151000000000, -0.0008881600000000, 0.0000098400000000 ] - [ 0.0000852900000000, -0.0036364800000000, -0.0004637600000000 ] - [ -0.0015430200000000, -0.0019587800000000, 0.0002062700000000 ] - [ -0.0004235800000000, -0.0011611000000000, 0.0003174700000000 ] - [ 0.0005659900000000, -0.0015924000000000, 0.0001533500000000 ] - [ 0.0000543800000000, -0.0005781200000000, -0.0000847300000000 ] - [ 0.0003627100000000, -0.0000494200000000, 0.0003322100000000 ] - [ 0.0003635200000000, 0.0000707200000000, 0.0003016300000000 ] - [ -0.0007870700000000, -0.0037330300000000, -0.0001179000000000 ] - [ 0.0000353600000000, 0.0000371300000000, -0.0000901300000000 ] - [ 0.0004899100000000, 0.0028752400000000, 0.0010645700000000 ] - [ -0.0001964200000000, -0.0000765000000000, -0.0003117800000000 ] - [ 0.0000273500000000, 0.0006737000000000, 0.0000612800000000 ] - [ -0.0010880400000000, 0.0004028700000000, -0.0000612000000000 ] - [ -0.0003380500000000, 0.0005117700000000, -0.0000894600000000 ] - [ 0.0000531900000000, 0.0009632700000000, 0.0001079600000000 ] - [ 0.0003585600000000, 0.0013267300000000, -0.0005757400000000 ] - [ 0.0008590800000000, 0.0002197000000000, -0.0000025000000000 ] - [ -0.0004789500000000, 0.0003705300000000, 0.0005576700000000 ] - [ -0.0001030600000000, 0.0003218200000000, 0.0007011600000000 ] - [ 0.0000213500000000, 0.0007535200000000, 0.0000399700000000 ] - [ 0.0001633900000000, 0.0004873400000000, 0.0000893900000000 ] - [ 0.0000685900000000, 0.0010752600000000, 0.0001677500000000 ] - [ 0.0001058800000000, 0.0012860100000000, 0.0001994400000000 ] - [ 0.0009868500000000, -0.0007972800000000, -0.0001236700000000 ] - [ 0.0006489000000000, -0.0028713000000000, 0.0003507200000000 ] - [ -0.0008690100000000, 0.0008978200000000, -0.0008316300000000 ] - [ 0.0003363700000000, 0.0002927100000000, -0.0006244600000000 ] - [ 0.0006351800000000, -0.0003704100000000, 0.0001214500000000 ] - [ -0.0003858900000000, -0.0005022600000000, -0.0005209300000000 ] - [ -0.0007463500000000, 0.0002757200000000, 0.0001220900000000 ] - [ 0.0012819900000000, 0.0003387500000000, 0.0002618000000000 ] - [ 0.0006713700000000, 0.0004381600000000, -0.0002559600000000 ] - [ 0.0006721100000000, 0.0000446600000000, -0.0002900000000000 ] - [ 0.0008662600000000, -0.0001563700000000, 0.0001282200000000 ] - [ -0.0008435300000000, -0.0003878400000000, 0.0001050200000000 ] - [ -0.0013851200000000, 0.0029139200000000, 0.0088985700000000 ] - [ -0.0002764200000000, -0.0008171800000000, 0.0002432000000000 ] - [ 0.0002252000000000, -0.0000397000000000, -0.0002227800000000 ] - [ 0.0005572000000000, 0.0002129600000000, -0.0001700100000000 ] - [ -0.0001066700000000, 0.0004439800000000, -0.0003614500000000 ] - [ 0.0000732600000000, -0.0003518700000000, -0.0003435000000000 ] - [ -0.0002279700000000, 0.0009258000000000, 0.0002351200000000 ] - [ 0.0002550500000000, 0.0013316500000000, 0.0002744200000000 ] - [ -0.0017072000000000, -0.0002804300000000, -0.0009177300000000 ] - [ 0.0002013000000000, -0.0001005500000000, -0.0000004600000000 ] - [ 0.0003107000000000, 0.0004860600000000, 0.0003093600000000 ] - [ -0.0004580100000000, 0.0008713200000000, -0.0000149900000000 ] - [ 0.0000020100000000, 0.0019422100000000, -0.0002094200000000 ] - [ 0.0000491400000000, 0.0008140900000000, -0.0002065400000000 ] - [ -0.0002044100000000, 0.0013418200000000, 0.0001598600000000 ] - [ -0.0002152400000000, 0.0000103000000000, 0.0001304100000000 ] - [ 0.0004797500000000, 0.0007752000000000, -0.0000386000000000 ] - [ 0.0005033300000000, 0.0003257600000000, -0.0000045400000000 ] - [ -0.0060196200000000, 0.0042468900000000, -0.0032019900000000 ] - [ 0.0000092300000000, -0.0003975800000000, 0.0002867300000000 ] - [ 0.0014276300000000, 0.0023218500000000, 0.0012283700000000 ] - [ -0.0000523700000000, -0.0000370700000000, 0.0006643700000000 ] - [ -0.0010484100000000, 0.0016239400000000, 0.0001328500000000 ] - [ 0.0003074500000000, 0.0000180500000000, -0.0001150500000000 ] - [ -0.0036345200000000, 0.0093758800000000, -0.0012527900000000 ] - [ 0.0002721700000000, 0.0005400700000000, -0.0002218600000000 ] - [ -0.0003699000000000, 0.0006767000000000, 0.0003117600000000 ] - [ 0.0006644900000000, 0.0004302900000000, 0.0006413600000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015933400000000, 0.0033775100000000, 0.0011878900000000 ] - [ 0.0001101800000000, 0.0004801000000000, -0.0001644700000000 ] - [ 0.0004157200000000, 0.0014527100000000, -0.0000362100000000 ] - [ -0.0001534200000000, 0.0017946100000000, -0.0002074500000000 ] - [ 0.0001773300000000, 0.0039459100000000, -0.0016466300000000 ] - [ 0.0001099700000000, 0.0009728700000000, -0.0000584400000000 ] - [ 0.0009031000000000, -0.0008036800000000, 0.0012823000000000 ] - [ -0.0009547200000000, -0.0022511100000000, 0.0001172800000000 ] - [ -0.0006178800000000, 0.0020225500000000, 0.0002409300000000 ] - [ -0.0004529600000000, 0.0007122400000000, 0.0003748100000000 ] - [ 0.0026344100000000, -0.0011578800000000, -0.0005172100000000 ] - [ -0.0035497200000000, -0.0019937500000000, -0.0012873800000000 ] - [ -0.0011057300000000, 0.0009976400000000, -0.0005235700000000 ] - [ 0.0015427300000000, 0.0017880600000000, 0.0006060400000000 ] - [ 0.0000969100000000, 0.0022670200000000, -0.0003228000000000 ] - [ 0.0002096500000000, 0.0010290200000000, -0.0003561200000000 ] - [ -0.0003871900000000, -0.0174046500000000, -0.0150093800000000 ] - [ 0.0000340400000000, -0.0005768600000000, 0.0001477300000000 ] - [ -0.0033779800000000, -0.0121774400000000, 0.0075212200000000 ] - [ 0.0000596800000000, -0.0004832100000000, -0.0001771300000000 ] - [ -0.0006130400000000, 0.0005427500000000, 0.0001983000000000 ] - [ 0.0022620200000000, 0.0024181000000000, 0.0007348700000000 ] - [ 0.0005176600000000, 0.0016125500000000, 0.0003133400000000 ] - [ -0.0000890100000000, 0.0019604300000000, 0.0001792300000000 ] - [ -0.0192271500000000, -0.0508205700000000, -0.0088368800000000 ] - [ -0.0001038300000000, -0.0005903600000000, -0.0000209500000000 ] - [ 0.0019229500000000, 0.0009013000000000, 0.0005791900000000 ] - [ -0.0002156200000000, 0.0001070800000000, 0.0001161000000000 ] - [ -0.0006934900000000, -0.0031396600000000, 0.0000128100000000 ] - [ -0.0003190300000000, -0.0012940800000000, 0.0000796500000000 ] - [ 0.0000935800000000, 0.0002827300000000, -0.0002453100000000 ] - [ 0.0006906800000000, 0.0003145900000000, -0.0000093000000000 ] - [ -0.0015476200000000, -0.0048931600000000, -0.0001799500000000 ] - [ 0.0015433700000000, -0.0022632900000000, 0.0005497200000000 ] - [ -0.0007759600000000, 0.0013532400000000, 0.0005121100000000 ] - [ -0.0008821500000000, 0.0005852000000000, 0.0005085800000000 ] - [ -0.0020254700000000, 0.0032185500000000, -0.0006354000000000 ] - [ -0.0000963500000000, -0.0004162800000000, -0.0000715100000000 ] - [ 0.0012395000000000, 0.0004844700000000, 0.0000752600000000 ] - [ -0.0003345400000000, 0.0000968800000000, -0.0003976300000000 ] - [ -0.0001467000000000, -0.0022106900000000, -0.0008055700000000 ] - [ 0.0019183400000000, -0.0017632400000000, -0.0002120600000000 ] - [ -0.0001858000000000, 0.0011625700000000, 0.0000217700000000 ] - [ 0.0004917300000000, 0.0010616500000000, 0.0001401700000000 ] - [ -0.0016620700000000, 0.0012664700000000, 0.0000433000000000 ] - [ 0.0001038300000000, -0.0003843700000000, 0.0001858600000000 ] - [ -0.0006121300000000, 0.0009757500000000, -0.0003078300000000 ] - [ -0.0007315600000000, -0.0000105800000000, -0.0003519600000000 ] - [ -0.0008091700000000, -0.0003613400000000, -0.0001531100000000 ] - [ -0.0000012800000000, -0.0006893300000000, -0.0000024200000000 ] - [ -0.0057028400000000, 0.0019458300000000, -0.0023224500000000 ] - [ -0.0001493100000000, 0.0006437500000000, 0.0000371600000000 ] - [ 0.0009757500000000, 0.0004523100000000, 0.0002987800000000 ] - [ -0.0000908500000000, 0.0002683200000000, -0.0000712600000000 ] - [ 0.0003482900000000, -0.0002839800000000, 0.0004864500000000 ] - [ -0.0017953900000000, -0.0006917600000000, -0.0002705100000000 ] - [ -0.0002080300000000, -0.0013342100000000, -0.0001021300000000 ] - [ -0.0002699800000000, -0.0004569500000000, -0.0001198000000000 ] - [ -0.0041178000000000, -0.0028327600000000, 0.0036538800000000 ] - [ 0.0004507700000000, 0.0001272100000000, -0.0005988700000000 ] - [ 0.0004398600000000, 0.0009918300000000, 0.0002045300000000 ] - [ -0.0004424300000000, 0.0006611000000000, -0.0001954000000000 ] - [ -0.0005494400000000, -0.0004233800000000, -0.0001035900000000 ] - [ 0.0000790000000000, -0.0001138600000000, 0.0002052000000000 ] - [ 0.0283199700000000, 0.1005438100000000, 0.0200114600000000 ] - [ -0.0004784100000000, -0.0001560800000000, -0.0003474000000000 ] - [ -0.0015643600000000, -0.0071952100000000, 0.0003602500000000 ] - [ 0.0006419800000000, 0.0002691800000000, 0.0000856500000000 ] - [ 0.0002107800000000, -0.0007548300000000, -0.0001349700000000 ] - [ 0.0000505200000000, -0.0004117200000000, -0.0001619900000000 ] - [ -0.0004484900000000, -0.0007022600000000, 0.0001821800000000 ] - [ -0.0004948200000000, -0.0002098400000000, 0.0001912500000000 ] - [ 0.0000115300000000, -0.0004322300000000, 0.0000947000000000 ] - [ 0.0003257700000000, -0.0001780700000000, 0.0001879800000000 ] - [ -0.0007644000000000, -0.0006981800000000, -0.0006026200000000 ] - [ -0.0000932000000000, 0.0001909700000000, -0.0003835600000000 ] - [ 0.0001424900000000, -0.0008965500000000, -0.0002269100000000 ] - [ 0.0005299500000000, -0.0004852800000000, -0.0001906700000000 ] - [ 0.0000872600000000, -0.0012996800000000, 0.0000443200000000 ] - [ 0.0000795600000000, -0.0007194400000000, 0.0000040700000000 ] - [ -0.0005572500000000, 0.0007471200000000, 0.0000129800000000 ] - [ -0.0008293500000000, 0.0034986900000000, 0.0005242500000000 ] - [ 0.0001312700000000, 0.0013697300000000, 0.0003633400000000 ] - [ -0.0009729400000000, 0.0005690600000000, 0.0002475100000000 ] - [ -0.0006320300000000, 0.0017422400000000, -0.0002616700000000 ] - [ -0.0001185700000000, 0.0007296000000000, -0.0000209300000000 ] - [ 0.0004942700000000, -0.0012191400000000, 0.0003897300000000 ] - [ 0.0004923300000000, -0.0013390600000000, 0.0004200200000000 ] - [ 0.0005754100000000, 0.0048330600000000, -0.0001950200000000 ] - [ -0.0002482900000000, 0.0010533800000000, -0.0002249600000000 ] - [ -0.0006481600000000, -0.0025799300000000, -0.0016038700000000 ] - [ 0.0000347000000000, 0.0003861500000000, -0.0002111300000000 ] - [ -0.0013533800000000, -0.0003270800000000, 0.0000528600000000 ] - [ -0.0002432500000000, -0.0000566800000000, 0.0001747100000000 ] - [ 0.0001065400000000, -0.0001369400000000, 0.0001104600000000 ] - [ -0.0002854200000000, -0.0005896500000000, -0.0000883600000000 ] - [ 0.0009729300000000, -0.0009781300000000, 0.0004652700000000 ] - [ 0.0004701300000000, 0.0001298200000000, -0.0001111400000000 ] - [ -0.0001452800000000, -0.0006262400000000, 0.0007214800000000 ] - [ -0.0005228400000000, -0.0005778000000000, 0.0005773000000000 ] - [ 0.0000481100000000, -0.0006005100000000, 0.0000683100000000 ] - [ -0.0000959200000000, -0.0003352100000000, 0.0000183400000000 ] - [ 0.0001444000000000, 0.0000148000000000, 0.0001474200000000 ] - [ 0.0001061600000000, -0.0001958100000000, 0.0001154800000000 ] - [ -0.0002061200000000, 0.0011486300000000, -0.0003480100000000 ] - [ 0.0001732400000000, 0.0032209500000000, -0.0008395800000000 ] - [ 0.0006708000000000, -0.0008324900000000, -0.0005181400000000 ] - [ -0.0005387300000000, -0.0002263000000000, -0.0007251700000000 ] - [ -0.0002417300000000, -0.0000687000000000, 0.0001263000000000 ] - [ 0.0007758300000000, 0.0000612300000000, 0.0007659600000000 ] - [ 0.0007843600000000, 0.0008246400000000, 0.0002988000000000 ] - [ -0.0012480900000000, 0.0007651200000000, 0.0001612000000000 ] - [ 0.0007305500000000, -0.0010322300000000, -0.0003064800000000 ] - [ 0.0007281600000000, -0.0006393700000000, -0.0002732900000000 ] - [ -0.0004712700000000, -0.0002507800000000, -0.0003564800000000 ] - [ 0.0012353200000000, -0.0000191100000000, -0.0003321800000000 ] - [ 0.0006810700000000, -0.0039475100000000, -0.0083953200000000 ] - [ -0.0004305900000000, -0.0002227700000000, 0.0001949500000000 ] - [ 0.0004834800000000, -0.0009980300000000, -0.0002146400000000 ] - [ 0.0001500900000000, -0.0012523400000000, -0.0002676800000000 ] - [ 0.0001381800000000, -0.0016657200000000, -0.0003879000000000 ] - [ -0.0000418000000000, -0.0008724500000000, -0.0004061500000000 ] - [ 0.0002698000000000, 0.0002979600000000, 0.0003242000000000 ] - [ -0.0002145000000000, -0.0001091000000000, 0.0002856700000000 ] - [ 0.0014499400000000, 0.0007052500000000, 0.0006481200000000 ] - [ -0.0004629700000000, 0.0005238100000000, -0.0002682300000000 ] - [ -0.0001480400000000, -0.0001794300000000, 0.0002145200000000 ] - [ 0.0006173400000000, -0.0005629600000000, 0.0005369500000000 ] - [ -0.0000375300000000, -0.0008417500000000, -0.0002104200000000 ] - [ -0.0000853900000000, 0.0002817800000000, -0.0002139400000000 ] - [ -0.0001892300000000, -0.0017497600000000, 0.0000691200000000 ] - [ -0.0001805200000000, -0.0004112200000000, 0.0000983500000000 ] - [ 0.0002926900000000, -0.0009161600000000, 0.0000171100000000 ] - [ 0.0002690800000000, -0.0004669200000000, -0.0000167000000000 ] - [ 0.0054046800000000, -0.0045096300000000, 0.0037348200000000 ] - [ -0.0007051300000000, 0.0001881400000000, 0.0001878900000000 ] - [ -0.0012165000000000, -0.0022484900000000, 0.0001272900000000 ] - [ 0.0002531000000000, 0.0001006500000000, 0.0006866200000000 ] - [ 0.0012590600000000, -0.0013293700000000, -0.0004731500000000 ] - [ -0.0001019800000000, 0.0002787400000000, -0.0002225000000000 ] - [ 0.0035472000000000, -0.0080275100000000, 0.0006822900000000 ] - [ -0.0003140700000000, 0.0006814100000000, -0.0003366300000000 ] - [ 0.0008489000000000, -0.0003866100000000, 0.0005919000000000 ] - [ -0.0001884700000000, -0.0001401200000000, 0.0002606100000000 ]- atom: 65 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ 0.0003887300000000, -0.0014272500000000, -0.0000594000000000 ] - [ -0.0002345200000000, 0.0003163600000000, -0.0002557800000000 ] - [ 0.0000660000000000, 0.0003258000000000, -0.0001459900000000 ] - [ 0.0001570500000000, 0.0002932600000000, -0.0001989400000000 ] - [ -0.0002439500000000, 0.0016534500000000, -0.0001098100000000 ] - [ 0.0000284700000000, 0.0007312100000000, -0.0000704800000000 ] - [ -0.0007846500000000, 0.0001398600000000, -0.0000672100000000 ] - [ 0.0004361800000000, 0.0005947700000000, -0.0023473300000000 ] - [ -0.0004457800000000, 0.0000718000000000, 0.0003457300000000 ] - [ -0.0005556300000000, -0.0000299400000000, 0.0003324500000000 ] - [ 0.0013874000000000, 0.0002329000000000, 0.0000964100000000 ] - [ 0.0001688500000000, 0.0000200800000000, 0.0020865600000000 ] - [ -0.0002492000000000, 0.0009467200000000, -0.0000708400000000 ] - [ 0.0000651100000000, 0.0005388700000000, -0.0007807100000000 ] - [ 0.0002212500000000, 0.0000907600000000, -0.0003207600000000 ] - [ 0.0001791000000000, 0.0002669900000000, -0.0003475200000000 ] - [ -0.0003341400000000, 0.0127065300000000, 0.0198550800000000 ] - [ -0.0001574600000000, 0.0003926000000000, 0.0001068200000000 ] - [ -0.0053497100000000, -0.0065008900000000, 0.0145003500000000 ] - [ -0.0002838600000000, 0.0005431800000000, -0.0003298300000000 ] - [ 0.0002942900000000, 0.0002524100000000, 0.0003288100000000 ] - [ 0.0000446600000000, 0.0002051800000000, 0.0010601400000000 ] - [ 0.0001837200000000, 0.0005135800000000, 0.0002624700000000 ] - [ 0.0002003300000000, 0.0004350400000000, 0.0003369400000000 ] - [ -0.0007388600000000, 0.0038180800000000, 0.0094734700000000 ] - [ -0.0000040300000000, -0.0000006500000000, -0.0000249700000000 ] - [ 0.0003249100000000, -0.0004350200000000, 0.0003831000000000 ] - [ 0.0006378900000000, -0.0004700500000000, 0.0002241800000000 ] - [ 0.0008001000000000, -0.0001295400000000, -0.0052079800000000 ] - [ -0.0006040600000000, -0.0005732600000000, 0.0001021800000000 ] - [ 0.0004162900000000, -0.0007268000000000, -0.0001684500000000 ] - [ 0.0003526400000000, -0.0008298900000000, -0.0001350800000000 ] - [ -0.0002049800000000, -0.0006308500000000, 0.0021055200000000 ] - [ 0.0022688900000000, -0.0000372600000000, 0.0005575400000000 ] - [ -0.0008656900000000, -0.0001545300000000, 0.0004808900000000 ] - [ -0.0008725700000000, -0.0001037800000000, 0.0005215300000000 ] - [ -0.0006141200000000, 0.0000454400000000, 0.0014000700000000 ] - [ -0.0004617600000000, -0.0003236500000000, -0.0001539800000000 ] - [ 0.0002762200000000, -0.0003421300000000, -0.0003263200000000 ] - [ 0.0002442700000000, -0.0002214200000000, -0.0000723000000000 ] - [ 0.0011272100000000, -0.0001936800000000, -0.0018868100000000 ] - [ -0.0008237700000000, -0.0004348900000000, -0.0010772000000000 ] - [ 0.0001428500000000, 0.0000404500000000, 0.0001355500000000 ] - [ 0.0001491500000000, 0.0000129100000000, 0.0000927300000000 ] - [ 0.0003535300000000, -0.0002781600000000, -0.0012825500000000 ] - [ -0.0004742000000000, -0.0004076100000000, 0.0000285700000000 ] - [ -0.0007274700000000, -0.0007630500000000, -0.0003266500000000 ] - [ -0.0006943200000000, -0.0007151000000000, -0.0003634900000000 ] - [ -0.0005442600000000, 0.0000457900000000, -0.0001071700000000 ] - [ -0.0007141100000000, 0.0001956000000000, -0.0001351800000000 ] - [ 0.0027287500000000, 0.0007317200000000, -0.0016024100000000 ] - [ -0.0007021800000000, 0.0001874400000000, 0.0001155500000000 ] - [ -0.0002436100000000, 0.0000683900000000, 0.0010621200000000 ] - [ 0.0001824900000000, 0.0002109800000000, 0.0000177000000000 ] - [ -0.0000443800000000, -0.0005877500000000, 0.0005547300000000 ] - [ 0.0016213100000000, 0.0004595700000000, 0.0005638800000000 ] - [ -0.0002497200000000, -0.0001195700000000, 0.0000550400000000 ] - [ -0.0001594300000000, -0.0001984000000000, -0.0001134700000000 ] - [ -0.0030400500000000, -0.0047248100000000, 0.0011738500000000 ] - [ 0.0003378700000000, -0.0001500300000000, -0.0007189100000000 ] - [ 0.0002996900000000, -0.0004137600000000, 0.0002654800000000 ] - [ -0.0002830000000000, -0.0004403600000000, 0.0011448800000000 ] - [ -0.0000434900000000, 0.0002248800000000, 0.0001989600000000 ] - [ -0.0001403700000000, 0.0001519100000000, 0.0002377600000000 ] - [ 0.0061609600000000, -0.0122299700000000, -0.0591230200000000 ] - [ -0.0004692100000000, -0.0006603300000000, -0.0003886700000000 ] - [ 0.0010666600000000, -0.0006999700000000, -0.0032884900000000 ] - [ 0.0005581600000000, 0.0000299800000000, 0.0000670000000000 ] - [ 0.0001619300000000, 0.0000036400000000, -0.0001550800000000 ] - [ 0.0001737300000000, -0.0000012900000000, -0.0001265700000000 ] - [ -0.0003925400000000, 0.0002134500000000, 0.0002123700000000 ] - [ -0.0003853000000000, 0.0001864100000000, 0.0002371800000000 ] - [ 0.0001437300000000, 0.0002287200000000, 0.0001738600000000 ] - [ 0.0001342900000000, 0.0002138100000000, 0.0001299200000000 ] - [ -0.0002456800000000, 0.0003643200000000, 0.0004975500000000 ] - [ -0.0001945500000000, 0.0001042200000000, -0.0004411200000000 ] - [ 0.0003818200000000, -0.0000856200000000, -0.0002729100000000 ] - [ 0.0003208400000000, -0.0000790200000000, -0.0002509600000000 ] - [ 0.0000601700000000, -0.0003277900000000, -0.0000036400000000 ] - [ 0.0000667400000000, -0.0003356000000000, -0.0000047400000000 ] - [ -0.0004863700000000, -0.0001182000000000, 0.0002467700000000 ] - [ 0.0046841100000000, -0.0008142700000000, 0.0029514500000000 ] - [ -0.0022741300000000, -0.0000396400000000, 0.0001154300000000 ] - [ -0.0004756600000000, -0.0003534900000000, -0.0004899400000000 ] - [ -0.0000933000000000, 0.0000407500000000, 0.0012339300000000 ] - [ 0.0004882100000000, -0.0001833600000000, 0.0001979900000000 ] - [ 0.0004327600000000, -0.0006259500000000, 0.0003519600000000 ] - [ 0.0004165300000000, -0.0005969200000000, 0.0003568600000000 ] - [ -0.0014483700000000, 0.0002433600000000, 0.0047861500000000 ] - [ 0.0000061200000000, 0.0005259300000000, -0.0001207600000000 ] - [ -0.0021710500000000, -0.0000431100000000, 0.0053293000000000 ] - [ 0.0000113800000000, 0.0001506200000000, -0.0002311900000000 ] - [ -0.0007885500000000, -0.0000493900000000, -0.0000017300000000 ] - [ -0.0006578100000000, 0.0001717300000000, -0.0000352400000000 ] - [ -0.0001190500000000, 0.0001809900000000, 0.0000374500000000 ] - [ -0.0000911700000000, 0.0003414100000000, 0.0000146200000000 ] - [ 0.0006997900000000, -0.0003565800000000, 0.0000420200000000 ] - [ 0.0006856100000000, 0.0001858700000000, -0.0000065000000000 ] - [ -0.0002972200000000, -0.0001545100000000, 0.0006545900000000 ] - [ -0.0003041700000000, -0.0000910100000000, 0.0006789800000000 ] - [ 0.0000189500000000, 0.0001053800000000, 0.0000696600000000 ] - [ 0.0000529500000000, 0.0001069600000000, 0.0000563600000000 ] - [ 0.0001084500000000, 0.0005555400000000, 0.0001665300000000 ] - [ 0.0001051800000000, 0.0006021400000000, 0.0001587000000000 ] - [ 0.0005964700000000, 0.0000900000000000, -0.0004384000000000 ] - [ -0.0050719600000000, 0.0006927600000000, 0.0005345800000000 ] - [ -0.0000819500000000, -0.0000481500000000, -0.0008864200000000 ] - [ -0.0001184700000000, -0.0000238500000000, -0.0006789600000000 ] - [ 0.0001662400000000, -0.0001980000000000, 0.0003098800000000 ] - [ 0.0003323300000000, -0.0004567700000000, 0.0001899700000000 ] - [ 0.0002011200000000, 0.0005348300000000, 0.0000431700000000 ] - [ -0.0006378100000000, -0.0002320400000000, 0.0000436400000000 ] - [ 0.0007051600000000, -0.0002623300000000, -0.0002784400000000 ] - [ 0.0007000400000000, -0.0002835100000000, -0.0002764300000000 ] - [ 0.0003261500000000, -0.0001195100000000, -0.0002244200000000 ] - [ -0.0001382600000000, -0.0000045700000000, -0.0001356300000000 ] - [ -0.0007010800000000, 0.0076613600000000, 0.0077914800000000 ] - [ -0.0003482600000000, -0.0005390200000000, 0.0002855700000000 ] - [ 0.0003465700000000, -0.0005050300000000, -0.0002298900000000 ] - [ 0.0003692500000000, -0.0004773900000000, -0.0002505300000000 ] - [ -0.0000270400000000, -0.0005254900000000, -0.0002139000000000 ] - [ 0.0000276900000000, -0.0006063400000000, -0.0003708700000000 ] - [ 0.0000427500000000, 0.0006002700000000, 0.0002609600000000 ] - [ -0.0000206000000000, 0.0006132300000000, 0.0002864900000000 ] - [ 0.0002130300000000, -0.0002281100000000, 0.0020325700000000 ] - [ 0.0000978400000000, 0.0002398100000000, -0.0000225400000000 ] - [ 0.0000791100000000, 0.0001554400000000, 0.0002884600000000 ] - [ 0.0001164100000000, 0.0001016800000000, 0.0002648500000000 ] - [ 0.0000369100000000, 0.0006453100000000, -0.0004034400000000 ] - [ -0.0000219200000000, 0.0005559600000000, -0.0002134700000000 ] - [ -0.0001584500000000, -0.0001843300000000, -0.0000683400000000 ] - [ -0.0001921000000000, -0.0001893600000000, 0.0001164500000000 ] - [ 0.0003759800000000, -0.0000294700000000, 0.0000106100000000 ] - [ 0.0004025400000000, -0.0000550600000000, -0.0000075000000000 ] - [ 0.0018998300000000, -0.0023101600000000, -0.0014822500000000 ] - [ -0.0004638700000000, -0.0001379500000000, 0.0002681400000000 ] - [ 0.0004558200000000, 0.0003245900000000, -0.0000441200000000 ] - [ 0.0000462000000000, 0.0000531700000000, 0.0006588500000000 ] - [ -0.0009349800000000, 0.0018749600000000, -0.0006768200000000 ] - [ 0.0001494400000000, 0.0001496600000000, -0.0002066800000000 ] - [ 0.0006178200000000, 0.0002813800000000, -0.0022893200000000 ] - [ -0.0000850700000000, 0.0005757200000000, -0.0002936400000000 ] - [ 0.0001186800000000, 0.0001591400000000, 0.0006140900000000 ] - [ 0.0003376300000000, 0.0002975500000000, 0.0004667000000000 ]- atom: 65 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0008008500000000, 0.0020730400000000, -0.0004348200000000 ] - [ -0.0001699900000000, 0.0003239100000000, -0.0002555800000000 ] - [ 0.0001455700000000, 0.0004279400000000, -0.0001163800000000 ] - [ 0.0000529000000000, 0.0004621200000000, -0.0000645800000000 ] - [ 0.0003113300000000, -0.0001833100000000, -0.0000473100000000 ] - [ 0.0000345400000000, 0.0007259500000000, -0.0000712000000000 ] - [ 0.0003816900000000, 0.0004473000000000, 0.0007769300000000 ] - [ -0.0008356300000000, -0.0000253400000000, 0.0030412700000000 ] - [ -0.0006048900000000, -0.0000567900000000, 0.0003583400000000 ] - [ -0.0004904100000000, 0.0000374200000000, 0.0003708600000000 ] - [ -0.0003257700000000, -0.0002285000000000, -0.0008092300000000 ] - [ 0.0008344000000000, -0.0000121400000000, -0.0027955200000000 ] - [ 0.0001820500000000, 0.0005041300000000, 0.0002169300000000 ] - [ -0.0001069900000000, 0.0009305400000000, 0.0009313700000000 ] - [ 0.0001876200000000, 0.0005091600000000, -0.0003751200000000 ] - [ 0.0002317500000000, 0.0003249500000000, -0.0003453800000000 ] - [ 0.0000672400000000, -0.0128078900000000, -0.0204824400000000 ] - [ -0.0000506100000000, 0.0003497600000000, 0.0001580500000000 ] - [ 0.0046036500000000, 0.0068379000000000, -0.0141064700000000 ] - [ -0.0000864900000000, 0.0004732900000000, -0.0001844700000000 ] - [ 0.0001102600000000, 0.0003841800000000, 0.0001808300000000 ] - [ 0.0003662900000000, 0.0004394300000000, -0.0005483000000000 ] - [ 0.0001944700000000, 0.0005146400000000, 0.0002542000000000 ] - [ 0.0001753600000000, 0.0005956500000000, 0.0001800200000000 ] - [ 0.0003805700000000, -0.0038963300000000, -0.0097312500000000 ] - [ -0.0002974800000000, 0.0000726900000000, -0.0001598100000000 ] - [ 0.0006613700000000, -0.0002640100000000, -0.0000382600000000 ] - [ 0.0003388300000000, -0.0002359900000000, 0.0001193000000000 ] - [ -0.0015840600000000, -0.0012911900000000, 0.0054571600000000 ] - [ -0.0001656000000000, -0.0008228200000000, 0.0001557000000000 ] - [ 0.0003549900000000, -0.0006616100000000, -0.0000923100000000 ] - [ 0.0004245500000000, -0.0005569000000000, -0.0001250100000000 ] - [ 0.0016411100000000, -0.0007685800000000, -0.0013801600000000 ] - [ -0.0008575800000000, -0.0013442400000000, 0.0001686200000000 ] - [ -0.0008582100000000, 0.0000042700000000, 0.0005715600000000 ] - [ -0.0008508300000000, -0.0000493000000000, 0.0005311000000000 ] - [ -0.0003703800000000, -0.0007654900000000, -0.0017468800000000 ] - [ -0.0005112400000000, -0.0003879900000000, -0.0001822800000000 ] - [ 0.0003159200000000, -0.0003377400000000, 0.0001861100000000 ] - [ 0.0003445300000000, -0.0004586900000000, -0.0000699600000000 ] - [ 0.0005807100000000, 0.0000173000000000, 0.0008217200000000 ] - [ 0.0025579600000000, 0.0002558900000000, 0.0000147900000000 ] - [ 0.0001559100000000, 0.0000415000000000, 0.0000570500000000 ] - [ 0.0001541000000000, 0.0000714400000000, 0.0001011600000000 ] - [ -0.0009717800000000, -0.0003840100000000, 0.0014286500000000 ] - [ -0.0001164400000000, -0.0002813800000000, 0.0001231500000000 ] - [ -0.0006791500000000, -0.0005994300000000, -0.0003992900000000 ] - [ -0.0007114000000000, -0.0006521000000000, -0.0003617500000000 ] - [ -0.0005765100000000, 0.0000171300000000, -0.0000551500000000 ] - [ -0.0004036800000000, -0.0001331300000000, -0.0000276800000000 ] - [ -0.0031309900000000, -0.0007793300000000, 0.0018138700000000 ] - [ 0.0003645400000000, -0.0002159400000000, 0.0001391700000000 ] - [ 0.0004756500000000, 0.0003138200000000, -0.0010793600000000 ] - [ 0.0000476500000000, 0.0001625800000000, -0.0000394200000000 ] - [ 0.0000173300000000, -0.0006325500000000, 0.0001966500000000 ] - [ -0.0016753700000000, -0.0016830800000000, 0.0001900200000000 ] - [ -0.0001396100000000, -0.0003261400000000, -0.0003010900000000 ] - [ -0.0002325600000000, -0.0002378200000000, -0.0001330100000000 ] - [ 0.0036789700000000, 0.0045007600000000, -0.0024266800000000 ] - [ 0.0002892100000000, -0.0001049800000000, -0.0005586000000000 ] - [ -0.0004258800000000, -0.0002772500000000, -0.0002712700000000 ] - [ 0.0001477500000000, -0.0002498100000000, -0.0011438500000000 ] - [ -0.0001644500000000, 0.0000685800000000, 0.0001369000000000 ] - [ -0.0000661200000000, 0.0001431100000000, 0.0001005800000000 ] - [ -0.0064259100000000, 0.0125569000000000, 0.0583626700000000 ] - [ -0.0003873300000000, -0.0006074100000000, -0.0003324200000000 ] - [ 0.0000600000000000, 0.0007932200000000, 0.0034484600000000 ] - [ 0.0005599700000000, 0.0000376400000000, 0.0000965800000000 ] - [ 0.0001750900000000, -0.0000396400000000, -0.0001010100000000 ] - [ 0.0001611400000000, -0.0000339000000000, -0.0001302600000000 ] - [ -0.0003916300000000, 0.0001311800000000, 0.0002582800000000 ] - [ -0.0003994800000000, 0.0001609500000000, 0.0002335200000000 ] - [ 0.0001212900000000, 0.0001901400000000, 0.0000948100000000 ] - [ 0.0001312200000000, 0.0002055100000000, 0.0001386100000000 ] - [ -0.0002312300000000, -0.0000707400000000, -0.0013981200000000 ] - [ -0.0002824600000000, 0.0001875000000000, -0.0004614000000000 ] - [ 0.0003138400000000, -0.0001302300000000, -0.0002001100000000 ] - [ 0.0003759100000000, -0.0001347100000000, -0.0002224900000000 ] - [ 0.0000694300000000, -0.0003744500000000, 0.0000028900000000 ] - [ 0.0000619100000000, -0.0003638200000000, 0.0000033000000000 ] - [ -0.0002855200000000, -0.0000199800000000, -0.0002238100000000 ] - [ -0.0054982800000000, 0.0006895600000000, -0.0029173400000000 ] - [ 0.0008733500000000, -0.0005485200000000, 0.0004641500000000 ] - [ -0.0009249400000000, -0.0002366700000000, 0.0010537000000000 ] - [ 0.0000326700000000, 0.0001195700000000, -0.0013389800000000 ] - [ -0.0005581000000000, 0.0003403900000000, -0.0003033000000000 ] - [ 0.0004233300000000, -0.0006463500000000, 0.0003700600000000 ] - [ 0.0004393400000000, -0.0006767500000000, 0.0003650300000000 ] - [ 0.0012353000000000, 0.0008747900000000, -0.0051056500000000 ] - [ -0.0002206600000000, 0.0005661600000000, -0.0001946800000000 ] - [ 0.0019934500000000, 0.0003038600000000, -0.0058536500000000 ] - [ -0.0001738800000000, 0.0001598300000000, -0.0002914500000000 ] - [ -0.0005432400000000, 0.0003963600000000, 0.0001178300000000 ] - [ -0.0006693300000000, 0.0001754200000000, 0.0001496800000000 ] - [ -0.0001120200000000, 0.0001927600000000, -0.0000157100000000 ] - [ -0.0001429900000000, 0.0000270900000000, 0.0000082400000000 ] - [ 0.0006392900000000, 0.0006996300000000, -0.0001614700000000 ] - [ 0.0006415600000000, 0.0001636000000000, -0.0001072400000000 ] - [ -0.0003270100000000, -0.0001036200000000, 0.0006240400000000 ] - [ -0.0003238100000000, -0.0001684400000000, 0.0005992800000000 ] - [ 0.0000499100000000, 0.0000428100000000, 0.0000386300000000 ] - [ 0.0000135800000000, 0.0000423200000000, 0.0000513500000000 ] - [ 0.0001039600000000, 0.0005313300000000, 0.0001486700000000 ] - [ 0.0001066500000000, 0.0004830600000000, 0.0001565600000000 ] - [ 0.0001791200000000, 0.0002642200000000, -0.0000329700000000 ] - [ 0.0058168100000000, -0.0003272000000000, -0.0010246600000000 ] - [ -0.0001162700000000, 0.0001147400000000, -0.0004621000000000 ] - [ -0.0000858900000000, 0.0000883100000000, -0.0006732000000000 ] - [ 0.0002249500000000, -0.0002380500000000, -0.0000622600000000 ] - [ 0.0000606000000000, 0.0000226400000000, 0.0000641400000000 ] - [ -0.0001675100000000, 0.0005673800000000, 0.0003782900000000 ] - [ 0.0006651100000000, 0.0013297600000000, 0.0003684100000000 ] - [ 0.0006968700000000, -0.0003372400000000, -0.0002844000000000 ] - [ 0.0007009700000000, -0.0003140200000000, -0.0002862100000000 ] - [ 0.0000625700000000, -0.0002852200000000, -0.0000049800000000 ] - [ 0.0005372500000000, -0.0003952100000000, -0.0000970600000000 ] - [ 0.0000076100000000, -0.0085741900000000, -0.0072910800000000 ] - [ -0.0003597400000000, -0.0004979300000000, 0.0001527200000000 ] - [ 0.0003611300000000, -0.0005346200000000, -0.0002068800000000 ] - [ 0.0003364400000000, -0.0005640000000000, -0.0001873300000000 ] - [ 0.0000590400000000, -0.0007014000000000, -0.0005349200000000 ] - [ 0.0000033100000000, -0.0006179700000000, -0.0003791900000000 ] - [ -0.0000018000000000, 0.0006229300000000, 0.0002979700000000 ] - [ 0.0000604400000000, 0.0006051400000000, 0.0002704100000000 ] - [ -0.0004496800000000, 0.0006488800000000, -0.0022878200000000 ] - [ -0.0003644900000000, 0.0001838900000000, -0.0002462700000000 ] - [ 0.0000812000000000, 0.0001511900000000, 0.0002346500000000 ] - [ 0.0000466000000000, 0.0002026700000000, 0.0002602800000000 ] - [ -0.0000726800000000, 0.0004450700000000, -0.0000170900000000 ] - [ -0.0000145800000000, 0.0005400200000000, -0.0002061900000000 ] - [ -0.0002363400000000, -0.0002190200000000, 0.0002982100000000 ] - [ -0.0002036600000000, -0.0002122700000000, 0.0001120900000000 ] - [ 0.0003963400000000, -0.0001171500000000, -0.0000315400000000 ] - [ 0.0003693800000000, -0.0000888000000000, -0.0000133900000000 ] - [ -0.0025999800000000, 0.0021401200000000, 0.0019252300000000 ] - [ -0.0002365500000000, -0.0000717100000000, 0.0002046300000000 ] - [ -0.0002602400000000, -0.0002756700000000, 0.0013913000000000 ] - [ 0.0001558300000000, 0.0000131800000000, 0.0006931000000000 ] - [ 0.0011559200000000, -0.0015925800000000, 0.0003578600000000 ] - [ 0.0000554600000000, 0.0001481200000000, -0.0001308200000000 ] - [ -0.0006381100000000, 0.0008756700000000, 0.0017373900000000 ] - [ 0.0000420200000000, 0.0006477800000000, -0.0002641900000000 ] - [ 0.0003635200000000, 0.0001269500000000, 0.0002912600000000 ] - [ 0.0001349100000000, -0.0000092800000000, 0.0004371400000000 ]- atom: 71 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ 0.0016091500000000, 0.0003693400000000, -0.0000179900000000 ] - [ -0.0012211100000000, 0.0002574500000000, -0.0005008400000000 ] - [ -0.0016910500000000, 0.0009572600000000, -0.0010478500000000 ] - [ 0.0018207300000000, -0.0009199600000000, 0.0018894500000000 ] - [ 0.0016025700000000, 0.0019207000000000, 0.0006870600000000 ] - [ -0.0011688800000000, 0.0004001900000000, -0.0004372500000000 ] - [ -0.0005285000000000, 0.0003167800000000, 0.0002531000000000 ] - [ 0.0001389700000000, -0.0000917300000000, 0.0004455600000000 ] - [ 0.0065860100000000, 0.0002771800000000, 0.0016501100000000 ] - [ -0.0021209800000000, 0.0004452200000000, -0.0000148800000000 ] - [ 0.0002334400000000, 0.0001593000000000, -0.0004170200000000 ] - [ 0.0008558800000000, -0.0006488200000000, -0.0002768700000000 ] - [ -0.0007584600000000, -0.0000253800000000, -0.0002726100000000 ] - [ 0.0005366700000000, 0.0014307800000000, 0.0004794600000000 ] - [ 0.0083000200000000, 0.0002645700000000, -0.0000431400000000 ] - [ -0.0015791400000000, 0.0007006100000000, -0.0008519200000000 ] - [ 0.0004275600000000, 0.0000629500000000, 0.0002715600000000 ] - [ -0.0005434000000000, 0.0003061500000000, 0.0000101100000000 ] - [ 0.0003128900000000, 0.0002334000000000, -0.0001281200000000 ] - [ -0.0006163600000000, 0.0004404400000000, -0.0003680700000000 ] - [ -0.0008319100000000, -0.0004073000000000, 0.0001348600000000 ] - [ 0.0015342700000000, 0.0020609500000000, 0.0002909900000000 ] - [ -0.0020429000000000, 0.0010993000000000, 0.0002578400000000 ] - [ 0.0150415600000000, 0.0067224900000000, 0.0040081900000000 ] - [ 0.0001731800000000, 0.0001881800000000, -0.0000276800000000 ] - [ -0.0005062900000000, -0.0002879000000000, -0.0001526100000000 ] - [ -0.0000936100000000, 0.0009070000000000, -0.0000906900000000 ] - [ 0.0000135400000000, -0.0021357000000000, 0.0005913300000000 ] - [ -0.0000836600000000, -0.0005809500000000, 0.0002350100000000 ] - [ -0.0007307000000000, -0.0010219800000000, 0.0000022100000000 ] - [ -0.0007342500000000, -0.0012428400000000, -0.0003357900000000 ] - [ 0.0001284500000000, 0.0011536200000000, -0.0016764800000000 ] - [ 0.0005953800000000, -0.0009515300000000, 0.0003321900000000 ] - [ 0.0007409400000000, -0.0006683300000000, 0.0003813100000000 ] - [ 0.0004433300000000, 0.0006153700000000, 0.0013279100000000 ] - [ -0.0027170800000000, 0.0001054500000000, -0.0002025100000000 ] - [ 0.0000704400000000, -0.0015235300000000, -0.0000604900000000 ] - [ -0.0011383200000000, -0.0000095200000000, -0.0003220300000000 ] - [ -0.0000932300000000, 0.0004835400000000, -0.0001667600000000 ] - [ 0.0002962800000000, -0.0019449100000000, -0.0005884500000000 ] - [ 0.0007644500000000, -0.0003094600000000, -0.0005549200000000 ] - [ 0.0009109400000000, -0.0000867600000000, -0.0005265600000000 ] - [ -0.0036622400000000, -0.0021381200000000, -0.0015807200000000 ] - [ -0.0020986300000000, 0.0030616800000000, 0.0010464300000000 ] - [ -0.0000289800000000, -0.0013356900000000, 0.0001526900000000 ] - [ -0.0008651100000000, -0.0000161200000000, -0.0000931300000000 ] - [ 0.0226591200000000, -0.0082779400000000, 0.0019676700000000 ] - [ -0.0028885200000000, -0.0005484800000000, -0.0006997200000000 ] - [ 0.0001818200000000, -0.0003634800000000, 0.0001610500000000 ] - [ -0.0012201800000000, 0.0021109400000000, -0.0016157200000000 ] - [ -0.0001646300000000, -0.0000230700000000, 0.0001424200000000 ] - [ -0.0001480100000000, 0.0001228900000000, 0.0001131800000000 ] - [ -0.0002668200000000, 0.0001266500000000, -0.0001728300000000 ] - [ 0.0004362200000000, 0.0002935700000000, 0.0001125500000000 ] - [ 0.0001764800000000, -0.0003790600000000, 0.0004216500000000 ] - [ -0.0002375100000000, -0.0007922300000000, 0.0003616000000000 ] - [ -0.0003348300000000, 0.0013007300000000, -0.0005786300000000 ] - [ 0.0002352400000000, -0.0003712100000000, -0.0000111900000000 ] - [ 0.0002026900000000, -0.0002161200000000, -0.0006874300000000 ] - [ 0.0004851900000000, 0.0000529900000000, -0.0005871600000000 ] - [ 0.0000030600000000, -0.0002124500000000, 0.0000309500000000 ] - [ -0.0001092200000000, -0.0003506300000000, -0.0000202100000000 ] - [ 0.0001526400000000, -0.0002865300000000, 0.0003557400000000 ] - [ 0.0000293500000000, 0.0006919700000000, 0.0001179600000000 ] - [ -0.0005567600000000, -0.0005798400000000, -0.0003960700000000 ] - [ -0.0002869500000000, -0.0005331100000000, -0.0003165200000000 ] - [ 0.0000642500000000, 0.0001812000000000, -0.0000370200000000 ] - [ 0.0009044400000000, 0.0001007300000000, 0.0001754200000000 ] - [ 0.0204727700000000, 0.0091513500000000, 0.0017493400000000 ] - [ 0.0014924800000000, -0.0003390100000000, 0.0001199600000000 ] - [ -0.0791925800000000, -0.0011177800000000, -0.0074046500000000 ] - [ 0.0006795200000000, 0.0002081600000000, 0.0004630300000000 ] - [ 0.0008281400000000, -0.0005375500000000, 0.0003101400000000 ] - [ 0.0014429200000000, 0.0010117600000000, 0.0022020200000000 ] - [ -0.0004781500000000, -0.0001617600000000, -0.0005652800000000 ] - [ 0.0001638300000000, 0.0005489500000000, -0.0002601800000000 ] - [ 0.0018791600000000, -0.0019173800000000, -0.0001180200000000 ] - [ 0.0023935200000000, 0.0008068500000000, -0.0009560700000000 ] - [ 0.0033322600000000, -0.0044441400000000, -0.0072969400000000 ] - [ 0.0009242900000000, -0.0004689100000000, 0.0002695100000000 ] - [ -0.0002306000000000, -0.0000481200000000, 0.0000427900000000 ] - [ -0.0005927900000000, 0.0000691700000000, -0.0000182000000000 ] - [ -0.0006684300000000, -0.0001940400000000, 0.0002799700000000 ] - [ -0.0006966900000000, -0.0002687100000000, 0.0002912600000000 ] - [ -0.0000466800000000, 0.0000926800000000, -0.0000679200000000 ] - [ -0.0000111200000000, 0.0002008000000000, -0.0000311800000000 ] - [ 0.0019085400000000, -0.0012329800000000, 0.0009718000000000 ] - [ 0.0060067600000000, -0.0008704700000000, -0.0037439100000000 ] - [ -0.0002875700000000, 0.0006214300000000, -0.0002097100000000 ] - [ 0.0000678800000000, 0.0006241700000000, -0.0001147500000000 ] - [ -0.0005422400000000, 0.0003167400000000, -0.0004076900000000 ] - [ 0.0002846200000000, 0.0002066500000000, -0.0001594200000000 ] - [ -0.0004550900000000, -0.0003205600000000, -0.0000003900000000 ] - [ -0.0004861000000000, 0.0013032800000000, 0.0001472400000000 ] - [ 0.0005480800000000, 0.0002740800000000, 0.0001761100000000 ] - [ -0.0016294700000000, -0.0000761200000000, -0.0000399100000000 ] - [ 0.0005159400000000, 0.0007242900000000, -0.0000825300000000 ] - [ 0.0009486500000000, 0.0000114500000000, 0.0000092600000000 ] - [ 0.0001569100000000, 0.0005953000000000, 0.0016095900000000 ] - [ 0.0000679400000000, -0.0008614600000000, 0.0004730800000000 ] - [ 0.0002210600000000, 0.0004522300000000, -0.0002472400000000 ] - [ 0.0009551900000000, -0.0001509300000000, 0.0005363800000000 ] - [ 0.0009082800000000, 0.0004761400000000, 0.0003306600000000 ] - [ -0.0007198600000000, -0.0004554800000000, 0.0038912600000000 ] - [ 0.0005611800000000, 0.0002079100000000, -0.0001839300000000 ] - [ 0.0001831700000000, 0.0002967600000000, -0.0003094000000000 ] - [ 0.0002431000000000, 0.0011835600000000, -0.0005497500000000 ] - [ 0.0002348900000000, -0.0006687100000000, -0.0007830600000000 ] - [ 0.0003709100000000, -0.0004069300000000, 0.0001529300000000 ] - [ -0.0000133100000000, 0.0002741700000000, 0.0001512100000000 ] - [ 0.0002057800000000, 0.0008259600000000, 0.0002633100000000 ] - [ -0.0001250900000000, 0.0003163000000000, 0.0001277900000000 ] - [ 0.0018850200000000, -0.0025935400000000, 0.0059882400000000 ] - [ 0.0014970700000000, -0.0004280000000000, -0.0001461800000000 ] - [ 0.0004771000000000, -0.0003841600000000, -0.0000296500000000 ] - [ -0.0001063100000000, 0.0003571900000000, -0.0002685200000000 ] - [ -0.0005180600000000, -0.0005190300000000, 0.0001904000000000 ] - [ -0.0001917400000000, -0.0004077600000000, 0.0002561300000000 ] - [ 0.0016204100000000, 0.0000681400000000, -0.0006275900000000 ] - [ 0.0023368400000000, -0.0035154200000000, 0.0010093900000000 ] - [ -0.0014216200000000, -0.0012528300000000, -0.0012189000000000 ] - [ 0.0008113900000000, -0.0005435800000000, -0.0000948700000000 ] - [ 0.0008705800000000, 0.0008525200000000, 0.0005360100000000 ] - [ -0.0008495900000000, -0.0007148200000000, -0.0006595900000000 ] - [ -0.0002068600000000, 0.0004579800000000, -0.0001697500000000 ] - [ 0.0000017300000000, 0.0001376700000000, -0.0000820100000000 ] - [ 0.0007721200000000, -0.0001536300000000, 0.0004347800000000 ] - [ -0.0016724200000000, 0.0015459500000000, 0.0008895000000000 ] - [ -0.0028914100000000, -0.0026976200000000, -0.0004145100000000 ] - [ 0.0007692200000000, 0.0006820200000000, -0.0000934000000000 ] - [ -0.0020562700000000, 0.0011587100000000, -0.0000181200000000 ] - [ 0.0003748100000000, -0.0003575600000000, 0.0002612900000000 ] - [ -0.0017997800000000, -0.0005908100000000, -0.0017228600000000 ] - [ 0.0013160300000000, -0.0000438000000000, 0.0002905300000000 ] - [ -0.0004379200000000, 0.0001922300000000, 0.0002408400000000 ] - [ -0.0002115100000000, -0.0002003200000000, 0.0002496000000000 ] - [ -0.0001650400000000, -0.0004055300000000, 0.0006661300000000 ] - [ 0.0005572900000000, 0.0004537400000000, 0.0007112600000000 ] - [ -0.0001172700000000, 0.0006160600000000, -0.0002517000000000 ] - [ 0.0003531800000000, -0.0000227700000000, -0.0000934400000000 ] - [ -0.0004936200000000, 0.0005321900000000, -0.0003445100000000 ] - [ 0.0003307300000000, 0.0007046200000000, -0.0002203500000000 ] - [ 0.0004205200000000, 0.0006150700000000, 0.0004857200000000 ] - [ 0.0003244700000000, -0.0004429400000000, 0.0006979600000000 ]- atom: 71 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ -0.0020289800000000, 0.0002626800000000, -0.0004902600000000 ] - [ 0.0008176100000000, 0.0003848200000000, -0.0000107000000000 ] - [ 0.0019091800000000, -0.0002085800000000, 0.0007842300000000 ] - [ -0.0016322600000000, 0.0016625000000000, -0.0021696600000000 ] - [ -0.0015440600000000, -0.0004718000000000, -0.0008389700000000 ] - [ 0.0012379100000000, 0.0010597800000000, 0.0002969300000000 ] - [ 0.0001207000000000, 0.0002745700000000, 0.0004410000000000 ] - [ -0.0005527800000000, 0.0006858200000000, 0.0002468900000000 ] - [ -0.0076543400000000, -0.0002426600000000, -0.0009067800000000 ] - [ 0.0010755600000000, -0.0004471000000000, 0.0007170400000000 ] - [ 0.0008171000000000, -0.0001526500000000, -0.0002843200000000 ] - [ 0.0001875800000000, 0.0006610600000000, -0.0004262700000000 ] - [ 0.0007019300000000, 0.0014800600000000, 0.0004154600000000 ] - [ -0.0006084800000000, 0.0000255700000000, -0.0003398100000000 ] - [ -0.0078569200000000, 0.0003961700000000, -0.0007825800000000 ] - [ 0.0019950800000000, -0.0001175100000000, 0.0001613200000000 ] - [ -0.0006405600000000, 0.0006919900000000, -0.0000090500000000 ] - [ 0.0003334700000000, 0.0004437200000000, 0.0002537900000000 ] - [ -0.0006922600000000, 0.0007956700000000, -0.0003882500000000 ] - [ 0.0002399200000000, 0.0005838400000000, -0.0001482300000000 ] - [ 0.0012427700000000, 0.0010435400000000, 0.0003799300000000 ] - [ -0.0011452200000000, -0.0014200200000000, 0.0002176300000000 ] - [ 0.0024228000000000, -0.0000747900000000, 0.0002631000000000 ] - [ -0.0153453900000000, -0.0062612600000000, -0.0037856200000000 ] - [ -0.0004763600000000, -0.0001132000000000, -0.0001569600000000 ] - [ 0.0002045800000000, 0.0003671800000000, -0.0000309000000000 ] - [ 0.0010765200000000, -0.0016140100000000, 0.0004338900000000 ] - [ 0.0009652600000000, 0.0014422600000000, -0.0002545600000000 ] - [ -0.0006885400000000, -0.0008114400000000, 0.0000224800000000 ] - [ -0.0000403000000000, -0.0003666100000000, 0.0002558600000000 ] - [ 0.0015181500000000, -0.0001507900000000, 0.0000824600000000 ] - [ 0.0006321500000000, -0.0025547900000000, 0.0014203400000000 ] - [ 0.0008117700000000, -0.0004190900000000, 0.0003859900000000 ] - [ 0.0006602300000000, -0.0007008400000000, 0.0003368400000000 ] - [ -0.0021638900000000, -0.0007847400000000, -0.0002643800000000 ] - [ 0.0010029200000000, -0.0002671800000000, 0.0012608800000000 ] - [ -0.0010345000000000, 0.0008246700000000, -0.0002794800000000 ] - [ 0.0001616600000000, -0.0007030900000000, -0.0000184200000000 ] - [ 0.0006896100000000, -0.0011667000000000, 0.0000271100000000 ] - [ 0.0002920600000000, 0.0012772200000000, 0.0004552100000000 ] - [ 0.0009640600000000, 0.0001478100000000, -0.0005035700000000 ] - [ 0.0008124700000000, -0.0000750700000000, -0.0005332100000000 ] - [ 0.0039560400000000, 0.0022033200000000, 0.0017600100000000 ] - [ 0.0023980000000000, -0.0030102600000000, -0.0008639200000000 ] - [ -0.0005639800000000, 0.0006586500000000, 0.0000017800000000 ] - [ 0.0002661400000000, -0.0006735100000000, 0.0002438600000000 ] - [ -0.0226416700000000, 0.0058332100000000, -0.0024774500000000 ] - [ 0.0014975300000000, -0.0008250300000000, -0.0000286600000000 ] - [ -0.0013038400000000, 0.0004286900000000, -0.0003245000000000 ] - [ 0.0001116400000000, -0.0020561700000000, 0.0014683700000000 ] - [ -0.0001728100000000, -0.0000099100000000, 0.0001142600000000 ] - [ -0.0001874200000000, -0.0001571800000000, 0.0001443500000000 ] - [ 0.0005003300000000, 0.0002479100000000, 0.0001520900000000 ] - [ -0.0002069300000000, 0.0000785900000000, -0.0001345100000000 ] - [ -0.0002086100000000, -0.0008439600000000, 0.0003273900000000 ] - [ 0.0002092600000000, -0.0004320500000000, 0.0003889000000000 ] - [ -0.0000529300000000, -0.0017503600000000, 0.0003270000000000 ] - [ -0.0006274500000000, -0.0000610000000000, -0.0002362700000000 ] - [ 0.0004219700000000, -0.0000396000000000, -0.0005906000000000 ] - [ 0.0001393100000000, -0.0003110500000000, -0.0006910500000000 ] - [ -0.0001327100000000, -0.0004863000000000, -0.0000292600000000 ] - [ -0.0000179400000000, -0.0003485700000000, 0.0000225600000000 ] - [ -0.0003618200000000, 0.0005825700000000, -0.0000183800000000 ] - [ -0.0002341500000000, -0.0003987300000000, 0.0002203600000000 ] - [ -0.0002991600000000, -0.0006909500000000, -0.0003254800000000 ] - [ -0.0005693400000000, -0.0007370200000000, -0.0004051000000000 ] - [ 0.0010562300000000, -0.0001214700000000, 0.0002007700000000 ] - [ 0.0002130300000000, -0.0000348000000000, -0.0000124300000000 ] - [ -0.0196800800000000, -0.0089766100000000, -0.0019662500000000 ] - [ -0.0011625300000000, 0.0003121300000000, -0.0003777600000000 ] - [ 0.0773837300000000, 0.0028098600000000, 0.0080143700000000 ] - [ -0.0014680600000000, 0.0001430800000000, 0.0000064200000000 ] - [ -0.0005675700000000, 0.0009619300000000, -0.0000440400000000 ] - [ -0.0011912600000000, -0.0005951100000000, -0.0019602000000000 ] - [ -0.0000011000000000, 0.0004539700000000, -0.0003379700000000 ] - [ -0.0006444900000000, -0.0002613100000000, -0.0006443100000000 ] - [ -0.0011847000000000, 0.0017015100000000, -0.0003566200000000 ] - [ -0.0017140700000000, -0.0010234500000000, 0.0004911800000000 ] - [ -0.0031916200000000, 0.0037122100000000, 0.0072345700000000 ] - [ -0.0008026000000000, -0.0002265100000000, -0.0002733500000000 ] - [ -0.0005419100000000, -0.0000936800000000, -0.0000207000000000 ] - [ -0.0001766800000000, -0.0002125300000000, 0.0000408700000000 ] - [ -0.0007339100000000, -0.0004018600000000, 0.0002834000000000 ] - [ -0.0007034700000000, -0.0003273600000000, 0.0002726200000000 ] - [ -0.0000223900000000, 0.0000599800000000, -0.0000394000000000 ] - [ -0.0000561700000000, -0.0000491900000000, -0.0000759400000000 ] - [ -0.0010504500000000, -0.0000381200000000, -0.0002470900000000 ] - [ -0.0052430300000000, -0.0003950800000000, 0.0045350600000000 ] - [ 0.0000749400000000, 0.0004666800000000, -0.0001050700000000 ] - [ -0.0002819200000000, 0.0004646100000000, -0.0002004500000000 ] - [ 0.0003820900000000, -0.0000121000000000, -0.0001148300000000 ] - [ -0.0004482800000000, 0.0001019700000000, -0.0003638000000000 ] - [ -0.0008763900000000, 0.0006691600000000, 0.0001134100000000 ] - [ -0.0008449300000000, -0.0009672400000000, -0.0000336200000000 ] - [ -0.0007836000000000, 0.0001022700000000, -0.0001570000000000 ] - [ 0.0014083400000000, 0.0004482900000000, 0.0000657100000000 ] - [ 0.0008072900000000, -0.0003869200000000, -0.0000327000000000 ] - [ 0.0003804900000000, 0.0003388200000000, -0.0001227200000000 ] - [ -0.0007926800000000, -0.0008492000000000, -0.0003262700000000 ] - [ -0.0006921300000000, 0.0006116700000000, 0.0008087000000000 ] - [ -0.0001631900000000, -0.0002967200000000, 0.0003488100000000 ] - [ -0.0008886600000000, 0.0003079400000000, -0.0004312800000000 ] - [ -0.0007004300000000, 0.0006151700000000, -0.0000175500000000 ] - [ 0.0009605400000000, 0.0015566300000000, -0.0035838200000000 ] - [ 0.0002230100000000, 0.0001409700000000, -0.0002870200000000 ] - [ 0.0006039100000000, 0.0000505700000000, -0.0001606400000000 ] - [ -0.0004498700000000, -0.0011113400000000, -0.0008003300000000 ] - [ -0.0004337900000000, 0.0007381700000000, -0.0005655100000000 ] - [ 0.0000185200000000, -0.0000285200000000, 0.0000938900000000 ] - [ 0.0004065500000000, -0.0007136500000000, 0.0000955900000000 ] - [ -0.0001714600000000, 0.0002713800000000, 0.0001579000000000 ] - [ 0.0001631300000000, 0.0007796100000000, 0.0002939700000000 ] - [ -0.0005019600000000, 0.0019906100000000, -0.0065276100000000 ] - [ -0.0001010500000000, -0.0001638800000000, -0.0004176500000000 ] - [ -0.0000847700000000, -0.0000178000000000, -0.0001996300000000 ] - [ 0.0005040000000000, -0.0007624300000000, 0.0000415000000000 ] - [ -0.0001897500000000, -0.0005193400000000, 0.0002471800000000 ] - [ -0.0005166100000000, -0.0006327200000000, 0.0001815600000000 ] - [ -0.0009096100000000, -0.0011022500000000, 0.0001836200000000 ] - [ -0.0016459400000000, 0.0025116800000000, -0.0014612300000000 ] - [ 0.0014575600000000, 0.0000341400000000, 0.0004676700000000 ] - [ -0.0007852500000000, -0.0006802600000000, -0.0006567700000000 ] - [ -0.0008322700000000, 0.0003736200000000, 0.0000230500000000 ] - [ 0.0009066000000000, 0.0019398800000000, 0.0012219400000000 ] - [ -0.0000578000000000, -0.0000393100000000, -0.0000999100000000 ] - [ -0.0002640200000000, 0.0002837400000000, -0.0001866800000000 ] - [ -0.0006148500000000, 0.0004618700000000, 0.0000873500000000 ] - [ 0.0018516700000000, -0.0012449700000000, -0.0003718400000000 ] - [ 0.0028395800000000, 0.0038613200000000, -0.0000039200000000 ] - [ -0.0008102600000000, 0.0004141800000000, -0.0003276600000000 ] - [ 0.0016466000000000, -0.0015960800000000, 0.0002501500000000 ] - [ -0.0007723700000000, -0.0000411300000000, -0.0000331300000000 ] - [ 0.0025842400000000, 0.0004615200000000, 0.0016955700000000 ] - [ -0.0005476900000000, -0.0000960300000000, -0.0003128800000000 ] - [ -0.0002616600000000, -0.0004063700000000, 0.0002329500000000 ] - [ -0.0004847500000000, -0.0000109000000000, 0.0002245600000000 ] - [ 0.0003635000000000, 0.0004740400000000, 0.0006841300000000 ] - [ -0.0003588900000000, -0.0003916100000000, 0.0006398900000000 ] - [ 0.0003206900000000, -0.0003247800000000, -0.0000861000000000 ] - [ -0.0001475600000000, 0.0003193800000000, -0.0002443500000000 ] - [ 0.0004546400000000, 0.0006923700000000, -0.0002133200000000 ] - [ -0.0003744300000000, 0.0005171300000000, -0.0003383600000000 ] - [ 0.0000510300000000, -0.0003254500000000, 0.0004142300000000 ] - [ 0.0001553200000000, 0.0007357100000000, 0.0002049500000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003975300000000, -0.0025156700000000, 0.0016823700000000 ] - [ -0.0003815900000000, 0.0001253000000000, -0.0002884400000000 ] - [ 0.0004864500000000, 0.0014620900000000, -0.0000318200000000 ] - [ -0.0002756400000000, 0.0028536800000000, 0.0001004200000000 ] - [ 0.0013008200000000, -0.0015791200000000, -0.0019359800000000 ] - [ -0.0003927700000000, 0.0005545800000000, -0.0002074400000000 ] - [ -0.0001384100000000, -0.0005119500000000, 0.0003740400000000 ] - [ -0.0004166700000000, -0.0011389800000000, 0.0002985100000000 ] - [ 0.0011311100000000, 0.0080983100000000, 0.0017277700000000 ] - [ -0.0005475800000000, 0.0008394500000000, 0.0003469900000000 ] - [ 0.0007241400000000, -0.0008584800000000, -0.0003270300000000 ] - [ 0.0002242900000000, -0.0014813100000000, -0.0004481800000000 ] - [ -0.0008377700000000, 0.0001952100000000, -0.0002105700000000 ] - [ 0.0009929300000000, -0.0003284700000000, 0.0002056800000000 ] - [ 0.0011893000000000, 0.0078393700000000, -0.0008360600000000 ] - [ 0.0000674900000000, 0.0012062100000000, -0.0003929800000000 ] - [ 0.0000203500000000, -0.0014147000000000, 0.0002589700000000 ] - [ -0.0001042500000000, -0.0003288900000000, 0.0001215300000000 ] - [ -0.0000627500000000, -0.0012369600000000, -0.0003232300000000 ] - [ -0.0001634600000000, -0.0001778000000000, -0.0002506300000000 ] - [ -0.0004941500000000, 0.0000410400000000, 0.0001392600000000 ] - [ 0.0021145100000000, -0.0019245800000000, 0.0009122000000000 ] - [ 0.0005946700000000, 0.0018085800000000, 0.0003022400000000 ] - [ 0.0072953500000000, 0.0114858400000000, 0.0031357800000000 ] - [ 0.0001049500000000, -0.0014734900000000, -0.0000609100000000 ] - [ -0.0003024100000000, -0.0006188900000000, -0.0001042000000000 ] - [ 0.0015849700000000, -0.0007404400000000, 0.0004768400000000 ] - [ -0.0006011700000000, -0.0013438700000000, 0.0002759500000000 ] - [ -0.0001657700000000, -0.0019004600000000, 0.0002045300000000 ] - [ -0.0005319500000000, -0.0013322400000000, 0.0000565700000000 ] - [ -0.0005404200000000, 0.0001343000000000, -0.0005770100000000 ] - [ 0.0014807100000000, 0.0007706800000000, 0.0009876500000000 ] - [ 0.0004637000000000, -0.0016163600000000, 0.0003253100000000 ] - [ 0.0009043400000000, -0.0017057800000000, 0.0004172000000000 ] - [ -0.0005134300000000, 0.0025878000000000, 0.0004588500000000 ] - [ -0.0015275200000000, 0.0009888700000000, 0.0001655400000000 ] - [ -0.0020090200000000, -0.0028071800000000, -0.0004557000000000 ] - [ -0.0000975400000000, -0.0005996800000000, -0.0001070500000000 ] - [ 0.0008658900000000, -0.0004575000000000, 0.0001001800000000 ] - [ -0.0004732000000000, -0.0013119700000000, -0.0006685900000000 ] - [ 0.0006454400000000, -0.0009489000000000, -0.0006070800000000 ] - [ 0.0010744800000000, -0.0010505700000000, -0.0004786900000000 ] - [ -0.0015973700000000, 0.0005511200000000, -0.0003605700000000 ] - [ 0.0021743700000000, 0.0017553000000000, -0.0003004400000000 ] - [ -0.0009895200000000, -0.0020363200000000, -0.0003565700000000 ] - [ 0.0000522300000000, -0.0005545500000000, 0.0001998600000000 ] - [ -0.0071516200000000, 0.0158491200000000, -0.0011409800000000 ] - [ -0.0014401700000000, 0.0003976800000000, -0.0003623700000000 ] - [ -0.0008069700000000, -0.0001414000000000, -0.0001595600000000 ] - [ 0.0007027900000000, 0.0009566700000000, -0.0012161700000000 ] - [ -0.0003072700000000, 0.0005460900000000, 0.0000805700000000 ] - [ -0.0001394200000000, 0.0004476200000000, 0.0001218500000000 ] - [ 0.0002518800000000, 0.0010632700000000, 0.0000324300000000 ] - [ 0.0001929900000000, 0.0004254300000000, 0.0000275500000000 ] - [ 0.0001393100000000, -0.0002726000000000, 0.0004224700000000 ] - [ -0.0001998800000000, 0.0001066400000000, 0.0001930700000000 ] - [ -0.0002351100000000, 0.0018631400000000, 0.0005952600000000 ] - [ -0.0002538300000000, -0.0004563700000000, -0.0001246700000000 ] - [ 0.0000768600000000, 0.0004961100000000, -0.0006228000000000 ] - [ 0.0004171300000000, 0.0001844400000000, -0.0006070800000000 ] - [ 0.0000465300000000, 0.0001168500000000, 0.0000394500000000 ] - [ -0.0001149000000000, 0.0002793900000000, -0.0000145900000000 ] - [ -0.0004844000000000, 0.0001054500000000, -0.0000844200000000 ] - [ 0.0002169400000000, 0.0002543400000000, 0.0001933300000000 ] - [ -0.0003553000000000, 0.0002454800000000, -0.0002985100000000 ] - [ -0.0003729300000000, -0.0002468800000000, -0.0003323800000000 ] - [ 0.0004535100000000, 0.0013478800000000, 0.0000870400000000 ] - [ 0.0006302400000000, 0.0002600400000000, 0.0001063700000000 ] - [ 0.0081509100000000, -0.0020498500000000, 0.0004923500000000 ] - [ -0.0000152300000000, -0.0007413500000000, -0.0001281200000000 ] - [ -0.0026422700000000, -0.0513854800000000, -0.0041086200000000 ] - [ -0.0003606600000000, -0.0002916500000000, 0.0002073900000000 ] - [ -0.0004181700000000, -0.0000911900000000, 0.0000167900000000 ] - [ 0.0011660300000000, 0.0002155200000000, 0.0016123800000000 ] - [ -0.0006232600000000, 0.0005007000000000, -0.0005904400000000 ] - [ 0.0000578500000000, 0.0004623700000000, -0.0003187700000000 ] - [ -0.0013620400000000, -0.0002592900000000, -0.0003286200000000 ] - [ 0.0019086100000000, -0.0001106700000000, -0.0008274000000000 ] - [ -0.0043920000000000, -0.0016407200000000, 0.0050561300000000 ] - [ 0.0003819100000000, -0.0008633600000000, 0.0000935200000000 ] - [ -0.0004287200000000, 0.0003253500000000, 0.0000271100000000 ] - [ -0.0005434100000000, 0.0006426100000000, 0.0000182000000000 ] - [ -0.0005950900000000, 0.0001730600000000, 0.0003076300000000 ] - [ -0.0007313000000000, 0.0001892900000000, 0.0002717800000000 ] - [ -0.0001615200000000, 0.0006005000000000, -0.0000849400000000 ] - [ -0.0000340700000000, 0.0005253000000000, -0.0000462200000000 ] - [ 0.0008082500000000, -0.0016038600000000, 0.0005509800000000 ] - [ 0.0005707400000000, -0.0036772700000000, -0.0001381000000000 ] - [ -0.0000930900000000, 0.0013677600000000, -0.0002038100000000 ] - [ -0.0000754300000000, 0.0009202000000000, -0.0001652700000000 ] - [ -0.0002060400000000, 0.0009810200000000, -0.0002664400000000 ] - [ 0.0000280900000000, 0.0003723400000000, -0.0002325800000000 ] - [ -0.0010590100000000, 0.0003833300000000, 0.0000875500000000 ] - [ -0.0002454400000000, 0.0008644900000000, 0.0001973400000000 ] - [ 0.0002281600000000, 0.0000023800000000, 0.0001494600000000 ] - [ -0.0011859100000000, 0.0004837200000000, -0.0008843300000000 ] - [ 0.0012700600000000, 0.0015484800000000, 0.0003376000000000 ] - [ 0.0004825000000000, 0.0001995400000000, -0.0000939800000000 ] - [ 0.0007162700000000, -0.0004165300000000, 0.0011031400000000 ] - [ -0.0007740200000000, -0.0006919500000000, 0.0005409500000000 ] - [ 0.0006424900000000, -0.0016741600000000, 0.0001646300000000 ] - [ -0.0001641300000000, -0.0007246200000000, -0.0000376000000000 ] - [ 0.0003046500000000, -0.0001234800000000, 0.0001858700000000 ] - [ -0.0005619100000000, -0.0025514600000000, 0.0000968000000000 ] - [ 0.0003594600000000, 0.0005641200000000, -0.0002631800000000 ] - [ 0.0002691800000000, 0.0008695700000000, -0.0003009500000000 ] - [ 0.0007994300000000, 0.0002695600000000, -0.0005279400000000 ] - [ -0.0008024300000000, 0.0001724000000000, -0.0007025700000000 ] - [ 0.0000351600000000, 0.0001067100000000, 0.0001117900000000 ] - [ 0.0003114800000000, 0.0004638200000000, 0.0002606800000000 ] - [ 0.0001819100000000, 0.0009073300000000, 0.0002406300000000 ] - [ -0.0002733400000000, 0.0013103000000000, 0.0002743600000000 ] - [ -0.0014408100000000, -0.0026062900000000, -0.0040626500000000 ] - [ 0.0009095500000000, -0.0008335900000000, -0.0002205700000000 ] - [ 0.0000301200000000, 0.0000943000000000, -0.0001811200000000 ] - [ 0.0005153900000000, 0.0005877000000000, -0.0001378100000000 ] - [ -0.0004988300000000, 0.0003475200000000, 0.0001152800000000 ] - [ -0.0003108700000000, -0.0002041900000000, 0.0002263900000000 ] - [ 0.0008860600000000, -0.0007894500000000, -0.0002837800000000 ] - [ -0.0020101600000000, -0.0008209600000000, -0.0010619100000000 ] - [ -0.0000315500000000, -0.0009624500000000, -0.0004872600000000 ] - [ 0.0001918100000000, -0.0007528600000000, -0.0003067500000000 ] - [ 0.0004246300000000, 0.0004683800000000, 0.0003546300000000 ] - [ -0.0019532200000000, 0.0014508300000000, 0.0007714000000000 ] - [ 0.0000983600000000, 0.0008991800000000, -0.0000608200000000 ] - [ -0.0002143700000000, 0.0005289600000000, -0.0001785200000000 ] - [ -0.0000170400000000, -0.0000121300000000, 0.0002342600000000 ] - [ 0.0003828500000000, 0.0008046900000000, 0.0016538100000000 ] - [ -0.0033658100000000, 0.0132546000000000, -0.0005135500000000 ] - [ 0.0001890800000000, 0.0004212400000000, -0.0001888500000000 ] - [ 0.0016358200000000, 0.0059009600000000, -0.0003750300000000 ] - [ -0.0001683600000000, -0.0003991300000000, 0.0001074500000000 ] - [ -0.0001112900000000, -0.0032154000000000, -0.0000481700000000 ] - [ 0.0004061600000000, -0.0005370300000000, 0.0000363900000000 ] - [ -0.0000536400000000, 0.0006585300000000, 0.0003148000000000 ] - [ -0.0004709300000000, 0.0002189700000000, 0.0002358100000000 ] - [ -0.0006053300000000, 0.0009692000000000, 0.0005022600000000 ] - [ 0.0004378800000000, 0.0003639000000000, 0.0007115800000000 ] - [ 0.0003800500000000, 0.0010712800000000, -0.0003303600000000 ] - [ -0.0000659000000000, 0.0003366700000000, -0.0002255400000000 ] - [ 0.0000987900000000, 0.0017319800000000, -0.0002199200000000 ] - [ 0.0000372400000000, 0.0008297700000000, -0.0002739400000000 ] - [ 0.0008759700000000, 0.0002552800000000, 0.0007251500000000 ] - [ -0.0003032900000000, 0.0002835600000000, 0.0001312300000000 ]- atom: 71 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000062700000000, 0.0031607900000000, -0.0022099100000000 ] - [ -0.0000253600000000, 0.0005118100000000, -0.0002241600000000 ] - [ -0.0002698600000000, -0.0007155500000000, -0.0002289400000000 ] - [ 0.0004818700000000, -0.0021218600000000, -0.0003651500000000 ] - [ -0.0012457300000000, 0.0030321900000000, 0.0018088600000000 ] - [ 0.0004568800000000, 0.0008991500000000, 0.0000652800000000 ] - [ -0.0002720700000000, 0.0011005500000000, 0.0003189600000000 ] - [ 0.0000087000000000, 0.0017283100000000, 0.0003949700000000 ] - [ -0.0020963200000000, -0.0078487400000000, -0.0007243300000000 ] - [ -0.0005001000000000, -0.0008310000000000, 0.0003555600000000 ] - [ 0.0003233600000000, 0.0008628900000000, -0.0003748000000000 ] - [ 0.0008265400000000, 0.0014869800000000, -0.0002528800000000 ] - [ 0.0007732900000000, 0.0012635200000000, 0.0003529700000000 ] - [ -0.0010506200000000, 0.0017857800000000, -0.0000633900000000 ] - [ -0.0006938700000000, -0.0071310100000000, -0.0000393100000000 ] - [ 0.0003435700000000, -0.0006142200000000, -0.0003002700000000 ] - [ -0.0002311700000000, 0.0021610000000000, 0.0000060700000000 ] - [ -0.0001063300000000, 0.0010791500000000, 0.0001420500000000 ] - [ -0.0003140500000000, 0.0022586700000000, -0.0001944700000000 ] - [ -0.0002128800000000, 0.0012027700000000, -0.0002657100000000 ] - [ 0.0009018300000000, 0.0006031200000000, 0.0003733900000000 ] - [ -0.0016921300000000, 0.0025586600000000, -0.0003935400000000 ] - [ -0.0002120900000000, -0.0007868100000000, 0.0002143900000000 ] - [ -0.0073047500000000, -0.0106203800000000, -0.0027624200000000 ] - [ -0.0004106100000000, 0.0015531700000000, -0.0001240100000000 ] - [ 0.0000007300000000, 0.0006937700000000, -0.0000783300000000 ] - [ -0.0006089200000000, 0.0000264400000000, -0.0001309800000000 ] - [ 0.0015805800000000, 0.0006326500000000, 0.0000674000000000 ] - [ -0.0006072100000000, 0.0005073200000000, 0.0000523400000000 ] - [ -0.0002387300000000, -0.0000606800000000, 0.0002013500000000 ] - [ 0.0013141300000000, -0.0015205000000000, 0.0003142400000000 ] - [ -0.0007099700000000, -0.0021493100000000, -0.0012465100000000 ] - [ 0.0009408300000000, 0.0002441400000000, 0.0003928200000000 ] - [ 0.0005029000000000, 0.0003340500000000, 0.0003002400000000 ] - [ -0.0012096000000000, -0.0027450500000000, 0.0005969700000000 ] - [ -0.0001961700000000, -0.0011461900000000, 0.0008886800000000 ] - [ 0.0010199700000000, 0.0020864700000000, 0.0001101900000000 ] - [ -0.0008776200000000, -0.0001083600000000, -0.0002355600000000 ] - [ -0.0002745100000000, -0.0002305800000000, -0.0002402200000000 ] - [ 0.0010654300000000, 0.0006283500000000, 0.0005301700000000 ] - [ 0.0010791400000000, 0.0007859100000000, -0.0004525400000000 ] - [ 0.0006539400000000, 0.0008863000000000, -0.0005796400000000 ] - [ 0.0019103800000000, -0.0004606500000000, 0.0005585600000000 ] - [ -0.0018729500000000, -0.0016599400000000, 0.0004887600000000 ] - [ 0.0003910600000000, 0.0013477100000000, 0.0005043200000000 ] - [ -0.0006466400000000, -0.0001309900000000, -0.0000492900000000 ] - [ 0.0064279500000000, -0.0175569000000000, 0.0005081500000000 ] - [ 0.0000346400000000, -0.0017707600000000, -0.0003637500000000 ] - [ -0.0003129000000000, 0.0002102300000000, -0.0000039100000000 ] - [ -0.0018277700000000, -0.0008873900000000, 0.0010569100000000 ] - [ -0.0000274300000000, -0.0005769300000000, 0.0001768200000000 ] - [ -0.0001971800000000, -0.0004780100000000, 0.0001350300000000 ] - [ -0.0000207700000000, -0.0006887600000000, -0.0000527900000000 ] - [ 0.0000387800000000, -0.0000494100000000, -0.0000483100000000 ] - [ -0.0001684000000000, -0.0009499800000000, 0.0003275200000000 ] - [ 0.0001693400000000, -0.0013275400000000, 0.0005554200000000 ] - [ -0.0001647500000000, -0.0022922000000000, -0.0008261900000000 ] - [ -0.0001380300000000, 0.0000210300000000, -0.0001231500000000 ] - [ 0.0005498900000000, -0.0007506300000000, -0.0006558500000000 ] - [ 0.0002077300000000, -0.0004383200000000, -0.0006712600000000 ] - [ -0.0001734200000000, -0.0008133400000000, -0.0000368400000000 ] - [ -0.0000133200000000, -0.0009749000000000, 0.0000164900000000 ] - [ 0.0002788100000000, 0.0001944200000000, 0.0004230900000000 ] - [ -0.0004223200000000, 0.0000446300000000, 0.0001446900000000 ] - [ -0.0004998800000000, -0.0015123100000000, -0.0004229800000000 ] - [ -0.0004827700000000, -0.0010201100000000, -0.0003891500000000 ] - [ 0.0006639500000000, -0.0012745600000000, 0.0000764700000000 ] - [ 0.0004882600000000, -0.0001940900000000, 0.0000570100000000 ] - [ -0.0078525500000000, 0.0019414800000000, -0.0007560300000000 ] - [ 0.0003524000000000, 0.0007095900000000, -0.0001274600000000 ] - [ 0.0012822300000000, 0.0518685700000000, 0.0044862200000000 ] - [ -0.0004253200000000, 0.0006432500000000, 0.0002629900000000 ] - [ 0.0006791200000000, 0.0005185600000000, 0.0002500700000000 ] - [ -0.0009018800000000, 0.0002065900000000, -0.0013490900000000 ] - [ 0.0001472100000000, -0.0002062200000000, -0.0003113400000000 ] - [ -0.0005366500000000, -0.0001696400000000, -0.0005841900000000 ] - [ 0.0020572500000000, 0.0000587000000000, -0.0001468100000000 ] - [ -0.0012149700000000, -0.0000995300000000, 0.0003561500000000 ] - [ 0.0045218200000000, 0.0009763700000000, -0.0050507700000000 ] - [ -0.0002551300000000, 0.0001682500000000, -0.0000956100000000 ] - [ -0.0003414700000000, -0.0004643500000000, -0.0000045400000000 ] - [ -0.0002279600000000, -0.0007812600000000, 0.0000040800000000 ] - [ -0.0008043000000000, -0.0007656600000000, 0.0002563700000000 ] - [ -0.0006694400000000, -0.0007815900000000, 0.0002918000000000 ] - [ 0.0000946000000000, -0.0004452600000000, -0.0000219400000000 ] - [ -0.0000344900000000, -0.0003698400000000, -0.0000611300000000 ] - [ 0.0000432900000000, 0.0003384900000000, 0.0001688600000000 ] - [ 0.0003151700000000, 0.0024105900000000, 0.0008508300000000 ] - [ -0.0001196300000000, -0.0002755300000000, -0.0001110800000000 ] - [ -0.0001373100000000, 0.0001716800000000, -0.0001496600000000 ] - [ 0.0000436200000000, -0.0006709300000000, -0.0002566700000000 ] - [ -0.0001901100000000, -0.0000636000000000, -0.0002906800000000 ] - [ -0.0002692100000000, -0.0000311100000000, 0.0000260300000000 ] - [ -0.0010844000000000, -0.0005140800000000, -0.0000838800000000 ] - [ -0.0004600000000000, 0.0003715400000000, -0.0001280400000000 ] - [ 0.0009526900000000, -0.0001142100000000, 0.0009010600000000 ] - [ 0.0000618100000000, -0.0011969700000000, -0.0004475200000000 ] - [ 0.0008460600000000, 0.0001487500000000, -0.0000198300000000 ] - [ -0.0013377000000000, 0.0001570900000000, 0.0001716800000000 ] - [ 0.0001488400000000, 0.0004329700000000, 0.0007381100000000 ] - [ -0.0005737900000000, 0.0018197200000000, -0.0000536900000000 ] - [ 0.0002337700000000, 0.0008779500000000, 0.0001446400000000 ] - [ -0.0000936100000000, 0.0012143900000000, 0.0001287400000000 ] - [ 0.0007934100000000, 0.0036389300000000, 0.0002471300000000 ] - [ 0.0004271200000000, -0.0002125400000000, -0.0002072400000000 ] - [ 0.0005160300000000, -0.0005177600000000, -0.0001697800000000 ] - [ -0.0009961700000000, -0.0002090600000000, -0.0008217900000000 ] - [ 0.0005988000000000, -0.0001072600000000, -0.0006474300000000 ] - [ 0.0003567500000000, -0.0005393100000000, 0.0001359000000000 ] - [ 0.0000795600000000, -0.0008971100000000, -0.0000133500000000 ] - [ -0.0001443500000000, 0.0001897400000000, 0.0001810800000000 ] - [ 0.0003086900000000, -0.0002108300000000, 0.0001480300000000 ] - [ 0.0028286600000000, 0.0020405600000000, 0.0034677300000000 ] - [ 0.0004916000000000, 0.0002421000000000, -0.0003428700000000 ] - [ 0.0003657800000000, -0.0004931100000000, -0.0000475100000000 ] - [ -0.0001214800000000, -0.0009877900000000, -0.0000910600000000 ] - [ -0.0002078300000000, -0.0013850800000000, 0.0003233300000000 ] - [ -0.0003965200000000, -0.0008324500000000, 0.0002115300000000 ] - [ -0.0001825600000000, -0.0002508000000000, -0.0001516800000000 ] - [ 0.0027054100000000, -0.0002229300000000, 0.0006191200000000 ] - [ 0.0000647400000000, -0.0002500200000000, -0.0002594300000000 ] - [ -0.0001619400000000, -0.0004677000000000, -0.0004434100000000 ] - [ -0.0003840100000000, 0.0007537300000000, 0.0002037400000000 ] - [ 0.0019835300000000, -0.0002251200000000, -0.0002069700000000 ] - [ -0.0003596100000000, -0.0004755900000000, -0.0002078900000000 ] - [ -0.0000487600000000, -0.0001067800000000, -0.0000909100000000 ] - [ 0.0001771300000000, 0.0003232100000000, 0.0002889400000000 ] - [ -0.0002222800000000, -0.0004912000000000, -0.0011352700000000 ] - [ 0.0034056700000000, -0.0124009500000000, 0.0001018700000000 ] - [ -0.0002264600000000, 0.0006784700000000, -0.0002321000000000 ] - [ -0.0019922600000000, -0.0061934500000000, 0.0005946800000000 ] - [ -0.0002280800000000, -0.0000025800000000, 0.0001211400000000 ] - [ 0.0008823300000000, 0.0030657800000000, 0.0000190100000000 ] - [ 0.0003647600000000, 0.0003973200000000, -0.0000585600000000 ] - [ -0.0006409900000000, -0.0008675600000000, 0.0001600400000000 ] - [ -0.0002265700000000, -0.0004293300000000, 0.0002384700000000 ] - [ 0.0008129900000000, -0.0009052700000000, 0.0008497000000000 ] - [ -0.0002367600000000, -0.0002966800000000, 0.0006391300000000 ] - [ -0.0001708600000000, -0.0007727800000000, -0.0000094600000000 ] - [ 0.0002712900000000, -0.0000409000000000, -0.0001123900000000 ] - [ -0.0001409800000000, -0.0005104700000000, -0.0003398700000000 ] - [ -0.0000784600000000, 0.0003957000000000, -0.0002846000000000 ] - [ -0.0003957100000000, 0.0000327400000000, 0.0001791100000000 ] - [ 0.0007794600000000, 0.0000053700000000, 0.0007706100000000 ]- atom: 71 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0002668000000000, 0.0009490000000000, -0.0002440800000000 ] - [ -0.0002256000000000, 0.0003142300000000, -0.0002646000000000 ] - [ -0.0004284600000000, 0.0005312200000000, -0.0002249700000000 ] - [ 0.0013938400000000, 0.0007847400000000, -0.0036720000000000 ] - [ 0.0001279900000000, -0.0005537000000000, -0.0001162300000000 ] - [ -0.0000223900000000, 0.0007156000000000, -0.0000696500000000 ] - [ -0.0002185800000000, 0.0002660500000000, 0.0003442000000000 ] - [ -0.0001950400000000, 0.0002372300000000, 0.0002856900000000 ] - [ 0.0005941200000000, 0.0009057700000000, 0.0054489400000000 ] - [ -0.0005260700000000, 0.0000246900000000, 0.0002191900000000 ] - [ 0.0005440300000000, -0.0000548900000000, -0.0003493800000000 ] - [ 0.0004981400000000, -0.0000666400000000, -0.0002907900000000 ] - [ -0.0002631400000000, 0.0005573400000000, 0.0000424800000000 ] - [ 0.0002085800000000, 0.0007173600000000, -0.0006527200000000 ] - [ -0.0019500600000000, 0.0008940200000000, 0.0037296300000000 ] - [ 0.0000915400000000, 0.0003342100000000, -0.0002734300000000 ] - [ -0.0000719200000000, 0.0003883700000000, 0.0001353500000000 ] - [ -0.0001314900000000, 0.0003458600000000, 0.0001252900000000 ] - [ -0.0001168800000000, 0.0003301800000000, -0.0002321300000000 ] - [ -0.0002077600000000, 0.0004849700000000, -0.0002689800000000 ] - [ 0.0002303800000000, 0.0003702800000000, 0.0002399000000000 ] - [ -0.0000084900000000, 0.0004238900000000, 0.0011833600000000 ] - [ 0.0005620900000000, 0.0005141100000000, 0.0002994100000000 ] - [ 0.0003238500000000, 0.0016139300000000, 0.0063522600000000 ] - [ -0.0001355700000000, -0.0000315000000000, -0.0000433200000000 ] - [ -0.0001590600000000, 0.0000152500000000, -0.0000911800000000 ] - [ 0.0004995000000000, -0.0004116200000000, 0.0003997300000000 ] - [ 0.0007162600000000, -0.0002222000000000, 0.0002875000000000 ] - [ -0.0003459100000000, -0.0007511500000000, 0.0000903800000000 ] - [ -0.0004139100000000, -0.0007313000000000, 0.0001198500000000 ] - [ 0.0004765800000000, -0.0006442900000000, -0.0008062300000000 ] - [ -0.0011164800000000, 0.0005407400000000, -0.0005790800000000 ] - [ 0.0006704300000000, -0.0007443600000000, 0.0003750900000000 ] - [ 0.0007196500000000, -0.0007357200000000, 0.0003617700000000 ] - [ 0.0006100000000000, 0.0006048100000000, -0.0047156800000000 ] - [ -0.0011518600000000, -0.0001531100000000, 0.0003738900000000 ] - [ -0.0005561500000000, -0.0003207400000000, 0.0004730900000000 ] - [ -0.0004396500000000, -0.0004001700000000, -0.0001617100000000 ] - [ 0.0003743500000000, -0.0003364200000000, -0.0002582000000000 ] - [ 0.0000467200000000, -0.0006042600000000, -0.0002350000000000 ] - [ 0.0008446200000000, -0.0001414300000000, -0.0005593900000000 ] - [ 0.0008524300000000, -0.0000796000000000, -0.0005377700000000 ] - [ 0.0003494200000000, 0.0003228000000000, 0.0008959200000000 ] - [ 0.0016559000000000, -0.0011002600000000, 0.0006638700000000 ] - [ -0.0000055300000000, -0.0003457700000000, -0.0004899500000000 ] - [ -0.0003963700000000, -0.0002885800000000, 0.0000354200000000 ] - [ -0.0052593600000000, 0.0009589700000000, 0.0093986900000000 ] - [ -0.0005158400000000, -0.0005001500000000, -0.0002775100000000 ] - [ -0.0005805400000000, 0.0000306900000000, -0.0001582200000000 ] - [ -0.0010250800000000, -0.0005829100000000, -0.0003199000000000 ] - [ -0.0001733700000000, 0.0000128500000000, 0.0001164800000000 ] - [ -0.0001691000000000, -0.0000055100000000, 0.0001273000000000 ] - [ 0.0000974700000000, 0.0002452800000000, 0.0000850500000000 ] - [ 0.0001344500000000, 0.0001968900000000, -0.0000054800000000 ] - [ -0.0000013200000000, -0.0005877500000000, 0.0004008900000000 ] - [ -0.0000016700000000, -0.0006709300000000, 0.0003776600000000 ] - [ -0.0022767100000000, -0.0015311600000000, 0.0045098500000000 ] - [ -0.0001317400000000, -0.0002375600000000, -0.0001027900000000 ] - [ 0.0002792200000000, -0.0000616200000000, -0.0006428800000000 ] - [ 0.0003263400000000, -0.0001134100000000, -0.0006431700000000 ] - [ -0.0000495900000000, -0.0003106000000000, 0.0000044300000000 ] - [ -0.0000717500000000, -0.0003309400000000, 0.0000191800000000 ] - [ -0.0000027700000000, 0.0000067800000000, 0.0001766300000000 ] - [ -0.0001678100000000, 0.0001139100000000, 0.0003494100000000 ] - [ -0.0004285300000000, -0.0005969700000000, -0.0003838700000000 ] - [ -0.0004216300000000, -0.0006185000000000, -0.0003593000000000 ] - [ 0.0005419600000000, 0.0000203800000000, -0.0000412500000000 ] - [ 0.0005672800000000, 0.0000425700000000, 0.0000827700000000 ] - [ -0.0031825300000000, -0.0016900800000000, -0.0046178500000000 ] - [ -0.0001516700000000, 0.0000647400000000, -0.0003265700000000 ] - [ 0.0120322100000000, -0.0038105100000000, -0.0363468500000000 ] - [ -0.0004466200000000, 0.0001385200000000, 0.0002247000000000 ] - [ -0.0003576900000000, 0.0002351800000000, 0.0008407400000000 ] - [ 0.0002796100000000, 0.0003405200000000, 0.0000763600000000 ] - [ -0.0002811800000000, 0.0001425400000000, -0.0003606800000000 ] - [ -0.0001990200000000, 0.0001821600000000, -0.0004277800000000 ] - [ 0.0001499200000000, 0.0001165800000000, -0.0009796700000000 ] - [ 0.0006216900000000, -0.0001768600000000, -0.0006272600000000 ] - [ -0.0073988700000000, 0.0044991300000000, 0.0066397000000000 ] - [ 0.0001280700000000, -0.0003694500000000, -0.0000566000000000 ] - [ -0.0003825200000000, -0.0000514100000000, 0.0000173300000000 ] - [ -0.0003921100000000, -0.0000548400000000, 0.0000106400000000 ] - [ -0.0006995100000000, -0.0002758500000000, 0.0002817500000000 ] - [ -0.0006952200000000, -0.0002851700000000, 0.0002655800000000 ] - [ -0.0000435400000000, 0.0001055900000000, -0.0000466700000000 ] - [ -0.0000265200000000, 0.0000966200000000, -0.0000495800000000 ] - [ 0.0004117700000000, -0.0005907500000000, 0.0000973800000000 ] - [ -0.0043510000000000, -0.0011534900000000, 0.0013172300000000 ] - [ -0.0001200500000000, 0.0005816700000000, -0.0001428100000000 ] - [ -0.0000946600000000, 0.0005597600000000, -0.0001556500000000 ] - [ -0.0001499000000000, 0.0001573800000000, -0.0001482800000000 ] - [ -0.0000352300000000, 0.0001692600000000, -0.0002502400000000 ] - [ -0.0007360500000000, 0.0002327500000000, 0.0000550900000000 ] - [ -0.0006066900000000, 0.0002482000000000, -0.0000698600000000 ] - [ -0.0000712100000000, 0.0001930100000000, 0.0001096200000000 ] - [ 0.0007491300000000, -0.0011187000000000, 0.0005536600000000 ] - [ 0.0009019900000000, 0.0012977500000000, -0.0000208300000000 ] - [ 0.0006636100000000, 0.0001739300000000, -0.0000119300000000 ] - [ 0.0005163600000000, -0.0000010800000000, 0.0006775100000000 ] - [ -0.0004674700000000, -0.0001463700000000, 0.0013025700000000 ] - [ -0.0008728500000000, 0.0000188900000000, 0.0016621700000000 ] - [ 0.0004689900000000, 0.0000110600000000, 0.0001057100000000 ] - [ 0.0001241600000000, 0.0005171400000000, 0.0003144700000000 ] - [ 0.0034018000000000, 0.0005517200000000, 0.0050169800000000 ] - [ 0.0003988500000000, 0.0001931400000000, -0.0002392800000000 ] - [ 0.0003741000000000, 0.0002071300000000, -0.0002447300000000 ] - [ -0.0000639300000000, -0.0000879200000000, -0.0008929600000000 ] - [ -0.0002734100000000, 0.0001459100000000, -0.0007905700000000 ] - [ 0.0001861100000000, -0.0002128200000000, 0.0001481600000000 ] - [ 0.0002214800000000, -0.0000991400000000, 0.0001486100000000 ] - [ 0.0000374700000000, 0.0005654100000000, 0.0001880300000000 ] - [ -0.0000216000000000, 0.0006130200000000, 0.0001820000000000 ] - [ 0.0058729700000000, -0.0030629800000000, 0.0050076700000000 ] - [ 0.0006430400000000, -0.0003253100000000, -0.0001276200000000 ] - [ 0.0002009900000000, -0.0001918900000000, -0.0001390100000000 ] - [ 0.0001738400000000, -0.0002934600000000, -0.0001212300000000 ] - [ -0.0003530000000000, -0.0005180200000000, 0.0002157000000000 ] - [ -0.0003473900000000, -0.0005063600000000, 0.0002251200000000 ] - [ 0.0001712200000000, -0.0006136200000000, -0.0001666600000000 ] - [ 0.0009194800000000, -0.0007270300000000, -0.0014386800000000 ] - [ -0.0001766600000000, -0.0007086900000000, 0.0008329100000000 ] - [ 0.0000904200000000, -0.0006249200000000, -0.0003513000000000 ] - [ 0.0000796300000000, 0.0006000100000000, 0.0002085800000000 ] - [ -0.0011727400000000, 0.0019584200000000, 0.0003313800000000 ] - [ -0.0001395000000000, 0.0002944900000000, -0.0000557900000000 ] - [ -0.0001126500000000, 0.0002021400000000, -0.0001219200000000 ] - [ 0.0000567300000000, 0.0001462100000000, 0.0003117700000000 ] - [ 0.0004124900000000, 0.0007322800000000, 0.0005778500000000 ] - [ 0.0005531300000000, 0.0006194000000000, -0.0028055000000000 ] - [ -0.0000173800000000, 0.0005424000000000, -0.0002137100000000 ] - [ 0.0001300700000000, -0.0008997900000000, -0.0022259300000000 ] - [ -0.0002167400000000, -0.0001976000000000, 0.0001130200000000 ] - [ -0.0008674300000000, -0.0001535500000000, 0.0046719700000000 ] - [ 0.0004863300000000, -0.0000574200000000, 0.0000204700000000 ] - [ -0.0003000100000000, -0.0000117800000000, 0.0001596800000000 ] - [ -0.0003557200000000, -0.0000847200000000, 0.0002409200000000 ] - [ 0.0001018600000000, 0.0000609200000000, 0.0005802600000000 ] - [ 0.0001006800000000, 0.0000369600000000, 0.0006702200000000 ] - [ 0.0000600100000000, 0.0000372500000000, -0.0001690800000000 ] - [ 0.0001253600000000, 0.0001470700000000, -0.0002011600000000 ] - [ 0.0000150300000000, 0.0006783900000000, -0.0003774200000000 ] - [ -0.0000170800000000, 0.0006219600000000, -0.0002797900000000 ] - [ 0.0001884300000000, 0.0001377200000000, 0.0006553300000000 ] - [ 0.0004411500000000, -0.0000220200000000, 0.0004829100000000 ]- atom: 71 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0001429300000000, -0.0003197100000000, -0.0002536900000000 ] - [ -0.0001830800000000, 0.0003234100000000, -0.0002487400000000 ] - [ 0.0006366100000000, 0.0002202800000000, -0.0000361200000000 ] - [ -0.0011659800000000, -0.0000099200000000, 0.0034127600000000 ] - [ -0.0000560800000000, 0.0020063400000000, -0.0000429800000000 ] - [ 0.0000819500000000, 0.0007382600000000, -0.0000746500000000 ] - [ -0.0001911500000000, 0.0003200700000000, 0.0003492200000000 ] - [ -0.0002144100000000, 0.0003467700000000, 0.0004074200000000 ] - [ -0.0015432600000000, -0.0005980000000000, -0.0044143700000000 ] - [ -0.0005207500000000, -0.0000167400000000, 0.0004833400000000 ] - [ 0.0005045000000000, 0.0000568300000000, -0.0003534800000000 ] - [ 0.0005492100000000, 0.0000652800000000, -0.0004119800000000 ] - [ 0.0001949100000000, 0.0008954800000000, 0.0001006100000000 ] - [ -0.0002633200000000, 0.0007309100000000, 0.0007987300000000 ] - [ 0.0026345800000000, 0.0000317100000000, -0.0049277800000000 ] - [ 0.0003158000000000, 0.0002585500000000, -0.0004215500000000 ] - [ -0.0001367500000000, 0.0003526300000000, 0.0001270200000000 ] - [ -0.0000795600000000, 0.0004002400000000, 0.0001379300000000 ] - [ -0.0002584000000000, 0.0006857300000000, -0.0002826200000000 ] - [ -0.0001686700000000, 0.0005364500000000, -0.0002476800000000 ] - [ 0.0001745400000000, 0.0002689100000000, 0.0002700200000000 ] - [ 0.0004200800000000, 0.0002185100000000, -0.0006708800000000 ] - [ -0.0001843600000000, 0.0005122500000000, 0.0002110900000000 ] - [ 0.0000778700000000, -0.0005525100000000, -0.0058096500000000 ] - [ -0.0001655000000000, 0.0000998900000000, -0.0001441400000000 ] - [ -0.0001439300000000, 0.0000564300000000, -0.0000963900000000 ] - [ 0.0004851400000000, -0.0002991200000000, -0.0000583300000000 ] - [ 0.0002597900000000, -0.0004927600000000, 0.0000553800000000 ] - [ -0.0004245400000000, -0.0006458800000000, 0.0001673800000000 ] - [ -0.0003580000000000, -0.0006642800000000, 0.0001371300000000 ] - [ 0.0002847500000000, -0.0007478300000000, 0.0005392800000000 ] - [ 0.0019034500000000, -0.0019328200000000, 0.0003082600000000 ] - [ 0.0007339700000000, -0.0006304100000000, 0.0003412300000000 ] - [ 0.0006868900000000, -0.0006396000000000, 0.0003553300000000 ] - [ -0.0023484800000000, -0.0007411200000000, 0.0057699800000000 ] - [ -0.0005748700000000, 0.0000012300000000, 0.0006743400000000 ] - [ -0.0004227700000000, -0.0003903600000000, -0.0008057100000000 ] - [ -0.0005368500000000, -0.0003091400000000, -0.0001744700000000 ] - [ 0.0002165600000000, -0.0003444300000000, 0.0001179500000000 ] - [ 0.0005438200000000, -0.0000840500000000, 0.0000890200000000 ] - [ 0.0008788900000000, -0.0000268100000000, -0.0004999500000000 ] - [ 0.0008743300000000, -0.0000889800000000, -0.0005209800000000 ] - [ -0.0000402200000000, -0.0002320200000000, -0.0006932500000000 ] - [ -0.0013554000000000, 0.0011826500000000, -0.0004579900000000 ] - [ -0.0005965100000000, -0.0003615100000000, 0.0006342400000000 ] - [ -0.0001981400000000, -0.0003989300000000, 0.0001151500000000 ] - [ 0.0038445700000000, -0.0023054400000000, -0.0100997400000000 ] - [ -0.0008946500000000, -0.0008662200000000, -0.0004473700000000 ] - [ -0.0005401300000000, 0.0000354000000000, -0.0000053800000000 ] - [ -0.0000915200000000, 0.0006509400000000, 0.0001429400000000 ] - [ -0.0001634300000000, -0.0000438700000000, 0.0001398300000000 ] - [ -0.0001670400000000, -0.0000258000000000, 0.0001290100000000 ] - [ 0.0001349400000000, 0.0001322100000000, -0.0001072000000000 ] - [ 0.0000984600000000, 0.0001791000000000, -0.0000161200000000 ] - [ -0.0000280000000000, -0.0006327300000000, 0.0003494000000000 ] - [ -0.0000303200000000, -0.0005482800000000, 0.0003725500000000 ] - [ 0.0018961600000000, 0.0011320200000000, -0.0047788000000000 ] - [ -0.0002591600000000, -0.0001982300000000, -0.0001442600000000 ] - [ 0.0003461300000000, -0.0001921300000000, -0.0006350700000000 ] - [ 0.0003005000000000, -0.0001410900000000, -0.0006350400000000 ] - [ -0.0000790000000000, -0.0003848200000000, -0.0000029300000000 ] - [ -0.0000578800000000, -0.0003636100000000, -0.0000178400000000 ] - [ -0.0002044900000000, 0.0002897100000000, 0.0001584100000000 ] - [ -0.0000397000000000, 0.0001818400000000, -0.0000124200000000 ] - [ -0.0004267200000000, -0.0006699200000000, -0.0003379900000000 ] - [ -0.0004332300000000, -0.0006502300000000, -0.0003625500000000 ] - [ 0.0005767900000000, 0.0000471900000000, 0.0002028100000000 ] - [ 0.0005528500000000, 0.0000245300000000, 0.0000798800000000 ] - [ 0.0034281300000000, 0.0016135500000000, 0.0043806800000000 ] - [ 0.0004880400000000, -0.0000997900000000, 0.0000674300000000 ] - [ -0.0132127000000000, 0.0034841100000000, 0.0370594200000000 ] - [ -0.0003369300000000, 0.0002095100000000, 0.0002455900000000 ] - [ 0.0006276100000000, 0.0001814700000000, -0.0005727400000000 ] - [ -0.0000089600000000, 0.0000824100000000, 0.0002052800000000 ] - [ -0.0001967800000000, 0.0001496100000000, -0.0005440600000000 ] - [ -0.0002765600000000, 0.0001120000000000, -0.0004752100000000 ] - [ 0.0005349100000000, -0.0003234000000000, 0.0005081600000000 ] - [ 0.0000840500000000, -0.0000335600000000, 0.0001467000000000 ] - [ 0.0076446800000000, -0.0052899300000000, -0.0067048800000000 ] - [ 0.0000034500000000, -0.0003296300000000, 0.0000550700000000 ] - [ -0.0003889300000000, -0.0000892400000000, 0.0000045800000000 ] - [ -0.0003804800000000, -0.0000842900000000, 0.0000113100000000 ] - [ -0.0007012800000000, -0.0003182200000000, 0.0002816300000000 ] - [ -0.0007061300000000, -0.0003088800000000, 0.0002973600000000 ] - [ -0.0000247700000000, 0.0000491900000000, -0.0000608200000000 ] - [ -0.0000415900000000, 0.0000581000000000, -0.0000576600000000 ] - [ 0.0004408000000000, -0.0006794500000000, 0.0006211200000000 ] - [ 0.0051601900000000, -0.0001246300000000, -0.0006084900000000 ] - [ -0.0000924600000000, 0.0005110700000000, -0.0001726300000000 ] - [ -0.0001172500000000, 0.0005311200000000, -0.0001595900000000 ] - [ -0.0000135300000000, 0.0001584400000000, -0.0003746200000000 ] - [ -0.0001254700000000, 0.0001408400000000, -0.0002722900000000 ] - [ -0.0005950500000000, 0.0001180600000000, 0.0000595800000000 ] - [ -0.0007209300000000, 0.0001073100000000, 0.0001834300000000 ] - [ -0.0001586200000000, 0.0001817100000000, -0.0000872100000000 ] - [ -0.0009961400000000, 0.0015011200000000, -0.0005316700000000 ] - [ 0.0004350000000000, -0.0009307300000000, -0.0000983200000000 ] - [ 0.0006653900000000, 0.0001765400000000, -0.0001021400000000 ] - [ -0.0011324000000000, -0.0002571800000000, 0.0005957000000000 ] - [ -0.0001625100000000, -0.0001098500000000, -0.0000270100000000 ] - [ 0.0009550900000000, 0.0001273500000000, -0.0015528600000000 ] - [ -0.0004029300000000, 0.0001381400000000, 0.0000034900000000 ] - [ 0.0000909400000000, 0.0005699200000000, 0.0000009900000000 ] - [ -0.0032474200000000, 0.0005334500000000, -0.0047512900000000 ] - [ 0.0003864900000000, 0.0001573300000000, -0.0002318500000000 ] - [ 0.0004102800000000, 0.0001447300000000, -0.0002270600000000 ] - [ -0.0001354500000000, 0.0001511300000000, -0.0004597700000000 ] - [ 0.0000704200000000, -0.0000796700000000, -0.0005634700000000 ] - [ 0.0002049900000000, -0.0002211700000000, 0.0000983200000000 ] - [ 0.0001697500000000, -0.0003331700000000, 0.0000988400000000 ] - [ -0.0000007000000000, 0.0005334200000000, 0.0002322400000000 ] - [ 0.0000566500000000, 0.0004874900000000, 0.0002372000000000 ] - [ -0.0044073400000000, 0.0024317600000000, -0.0055568600000000 ] - [ 0.0007582800000000, -0.0002725800000000, -0.0004357700000000 ] - [ 0.0001926700000000, -0.0002071900000000, -0.0000901400000000 ] - [ 0.0002214000000000, -0.0001038000000000, -0.0001083900000000 ] - [ -0.0003539400000000, -0.0005165200000000, 0.0002211400000000 ] - [ -0.0003585100000000, -0.0005306300000000, 0.0002126700000000 ] - [ 0.0005337200000000, -0.0004265700000000, -0.0002662100000000 ] - [ -0.0002033400000000, -0.0003243400000000, 0.0010064600000000 ] - [ 0.0002070700000000, -0.0005245300000000, -0.0015868700000000 ] - [ -0.0000571700000000, -0.0005973000000000, -0.0003988000000000 ] - [ -0.0000379400000000, 0.0006227600000000, 0.0003489500000000 ] - [ 0.0012042200000000, -0.0007308800000000, 0.0002178500000000 ] - [ -0.0001215800000000, 0.0001315000000000, -0.0002118700000000 ] - [ -0.0001499300000000, 0.0002206500000000, -0.0001463800000000 ] - [ 0.0001055200000000, 0.0001621100000000, 0.0002108400000000 ] - [ -0.0002562700000000, -0.0004216100000000, -0.0000439500000000 ] - [ -0.0006065900000000, 0.0005562000000000, 0.0023850200000000 ] - [ -0.0000170400000000, 0.0005557000000000, -0.0002066100000000 ] - [ -0.0005338100000000, 0.0004808300000000, 0.0024579500000000 ] - [ -0.0001776300000000, -0.0002037800000000, 0.0001149200000000 ] - [ 0.0016332700000000, -0.0000019500000000, -0.0046752200000000 ] - [ 0.0002869700000000, -0.0000864600000000, -0.0000422200000000 ] - [ -0.0003950300000000, -0.0001961100000000, 0.0003126600000000 ] - [ -0.0003410700000000, -0.0001252500000000, 0.0002318300000000 ] - [ 0.0000966200000000, 0.0000110000000000, 0.0007706000000000 ] - [ 0.0001028900000000, 0.0000317500000000, 0.0006813500000000 ] - [ 0.0001470600000000, 0.0002644300000000, -0.0001652200000000 ] - [ 0.0000814300000000, 0.0001505500000000, -0.0001368000000000 ] - [ -0.0000562800000000, 0.0005504200000000, -0.0001808800000000 ] - [ -0.0000233000000000, 0.0006033500000000, -0.0002786300000000 ] - [ 0.0002943200000000, 0.0001549300000000, 0.0002509800000000 ] - [ 0.0000316000000000, 0.0003127900000000, 0.0004215600000000 ]- atom: 73 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ 0.0000540200000000, -0.0019264000000000, -0.0018599200000000 ] - [ -0.0011887400000000, 0.0014032200000000, -0.0005445000000000 ] - [ -0.0033736000000000, -0.0024419600000000, 0.0054134800000000 ] - [ -0.0029153200000000, 0.0007596500000000, -0.0011494400000000 ] - [ -0.0022722700000000, -0.0037403700000000, 0.0024610000000000 ] - [ -0.0031345000000000, 0.0026130300000000, -0.0008609600000000 ] - [ 0.0002271300000000, 0.0013512900000000, 0.0006765600000000 ] - [ -0.0008540500000000, -0.0002052000000000, 0.0001603700000000 ] - [ -0.0001959100000000, 0.0016482700000000, -0.0001488300000000 ] - [ -0.0012614500000000, -0.0008749400000000, 0.0001048200000000 ] - [ 0.0013881800000000, 0.0009121900000000, -0.0003509800000000 ] - [ -0.0002317000000000, -0.0002853600000000, -0.0005455700000000 ] - [ 0.0004562700000000, 0.0005755600000000, 0.0002451100000000 ] - [ -0.0005008100000000, 0.0010053200000000, -0.0000909900000000 ] - [ -0.0007298600000000, 0.0030301500000000, -0.0000212800000000 ] - [ -0.0009598000000000, -0.0010567800000000, -0.0005911400000000 ] - [ -0.0000473100000000, 0.0003863400000000, 0.0001662300000000 ] - [ -0.0002279800000000, 0.0005768600000000, 0.0001000300000000 ] - [ -0.0000611400000000, 0.0004618800000000, -0.0002440100000000 ] - [ -0.0003617100000000, 0.0007300800000000, -0.0003037700000000 ] - [ 0.0006374700000000, -0.0000026200000000, 0.0003176600000000 ] - [ -0.0002524400000000, 0.0006684600000000, 0.0001748800000000 ] - [ 0.0070477800000000, -0.0003172600000000, 0.0008896300000000 ] - [ -0.0016825400000000, 0.0004835500000000, -0.0000219100000000 ] - [ 0.0005471300000000, -0.0003556900000000, 0.0000913100000000 ] - [ -0.0007849600000000, 0.0005292600000000, -0.0003172100000000 ] - [ 0.0024765600000000, -0.0002073300000000, 0.0019630200000000 ] - [ -0.0009120100000000, -0.0006419100000000, -0.0003949000000000 ] - [ 0.0001505400000000, -0.0017860500000000, 0.0003428900000000 ] - [ -0.0010552100000000, -0.0002031100000000, 0.0000120300000000 ] - [ 0.0033947700000000, -0.0016895100000000, 0.0004686600000000 ] - [ -0.0007018500000000, -0.0004615500000000, -0.0003912000000000 ] - [ 0.0010965800000000, -0.0005296600000000, 0.0004723100000000 ] - [ 0.0003437700000000, -0.0006479400000000, 0.0002487200000000 ] - [ 0.0325924800000000, -0.0158514500000000, 0.0134867700000000 ] - [ -0.0026050900000000, -0.0004274800000000, 0.0002899900000000 ] - [ -0.0000655300000000, 0.0000071800000000, -0.0000598700000000 ] - [ -0.0008804300000000, -0.0005041900000000, -0.0002766700000000 ] - [ 0.0146916000000000, -0.0095190700000000, -0.0000947100000000 ] - [ -0.0012515600000000, -0.0007089500000000, -0.0003095200000000 ] - [ 0.0012944000000000, 0.0000567100000000, -0.0004160800000000 ] - [ 0.0004878700000000, -0.0000379200000000, -0.0006164800000000 ] - [ 0.0018269300000000, -0.0005829200000000, 0.0005357100000000 ] - [ -0.0008554600000000, 0.0002379300000000, -0.0001936600000000 ] - [ 0.0001173100000000, 0.0001655300000000, 0.0001767200000000 ] - [ -0.0006808200000000, -0.0005134400000000, -0.0000223900000000 ] - [ 0.0003019600000000, -0.0005422800000000, 0.0019210600000000 ] - [ -0.0023961600000000, -0.0010071600000000, -0.0010427500000000 ] - [ -0.0008339900000000, -0.0008992300000000, -0.0000729200000000 ] - [ 0.0002942000000000, 0.0002405400000000, 0.0006114400000000 ] - [ -0.0005939700000000, -0.0000461800000000, -0.0000122800000000 ] - [ 0.0001842700000000, -0.0000849700000000, 0.0002589900000000 ] - [ 0.0003415100000000, 0.0011035300000000, 0.0001691200000000 ] - [ 0.0004039700000000, -0.0004763800000000, -0.0001762100000000 ] - [ -0.0001501100000000, -0.0006169700000000, 0.0003295400000000 ] - [ 0.0001146200000000, -0.0006998000000000, 0.0004156500000000 ] - [ -0.0003073300000000, -0.0009607100000000, -0.0000076300000000 ] - [ 0.0000346400000000, 0.0001596200000000, -0.0001667800000000 ] - [ -0.0001856000000000, 0.0002510900000000, -0.0009605300000000 ] - [ 0.0007600900000000, -0.0004655500000000, -0.0005216600000000 ] - [ -0.0002453700000000, -0.0004931800000000, -0.0000449500000000 ] - [ 0.0000958700000000, -0.0003259300000000, 0.0000434300000000 ] - [ -0.0001062100000000, -0.0032374400000000, -0.0052734000000000 ] - [ 0.0006736600000000, 0.0004753200000000, 0.0004042000000000 ] - [ -0.0005216800000000, -0.0005115900000000, -0.0003745700000000 ] - [ -0.0003297000000000, -0.0008272200000000, -0.0003334900000000 ] - [ 0.0005532000000000, -0.0000926300000000, 0.0000740200000000 ] - [ 0.0005844200000000, 0.0000593300000000, 0.0000972100000000 ] - [ -0.0008678000000000, -0.0008060500000000, -0.0007341300000000 ] - [ 0.0009267200000000, 0.0002394200000000, 0.0001534300000000 ] - [ 0.0003051900000000, -0.0003709700000000, -0.0000864000000000 ] - [ 0.0009209800000000, 0.0012087200000000, 0.0007330800000000 ] - [ -0.0750450700000000, 0.0429996200000000, -0.0223869000000000 ] - [ 0.0011730200000000, 0.0001746800000000, 0.0003974700000000 ] - [ -0.0016796600000000, 0.0030574400000000, 0.0000542200000000 ] - [ 0.0005163900000000, 0.0000425200000000, -0.0003610600000000 ] - [ -0.0019537500000000, 0.0005025400000000, -0.0022197400000000 ] - [ 0.0013746500000000, -0.0001419900000000, 0.0000221600000000 ] - [ 0.0073442200000000, -0.0045897100000000, -0.0047219800000000 ] - [ 0.0009953400000000, 0.0000208200000000, 0.0002128100000000 ] - [ -0.0004835400000000, -0.0003434400000000, -0.0000080400000000 ] - [ -0.0002367900000000, 0.0000083400000000, 0.0000276300000000 ] - [ -0.0009141800000000, -0.0003982200000000, 0.0002190300000000 ] - [ -0.0005183700000000, -0.0002989700000000, 0.0003309800000000 ] - [ -0.0005479600000000, 0.0001309000000000, -0.0001652900000000 ] - [ 0.0003229300000000, -0.0000051300000000, 0.0000097600000000 ] - [ -0.0008787000000000, 0.0009471800000000, 0.0003548200000000 ] - [ 0.0010371800000000, -0.0009630800000000, 0.0007607600000000 ] - [ -0.0001416100000000, 0.0007618000000000, -0.0001748900000000 ] - [ -0.0000096500000000, 0.0003014100000000, -0.0001339400000000 ] - [ -0.0000609900000000, 0.0000144700000000, -0.0002507300000000 ] - [ -0.0000755400000000, 0.0001758300000000, -0.0002689800000000 ] - [ -0.0036060800000000, -0.0009121200000000, 0.0005953300000000 ] - [ 0.0000010700000000, 0.0002799300000000, 0.0002160900000000 ] - [ -0.0003662100000000, 0.0008635000000000, -0.0001016800000000 ] - [ 0.0003634200000000, -0.0002172400000000, 0.0001570800000000 ] - [ 0.0004087200000000, -0.0001008900000000, -0.0000860500000000 ] - [ 0.0008743300000000, 0.0002969500000000, -0.0000039600000000 ] - [ -0.0012486800000000, -0.0000412600000000, 0.0004603800000000 ] - [ 0.0001747400000000, -0.0001562000000000, 0.0007899500000000 ] - [ -0.0018505100000000, -0.0037515000000000, 0.0001060600000000 ] - [ 0.0008189100000000, 0.0003052900000000, 0.0001845100000000 ] - [ 0.0016305000000000, 0.0051409100000000, 0.0002448400000000 ] - [ 0.0009875400000000, 0.0001778400000000, 0.0001989700000000 ] - [ 0.0003187700000000, -0.0000527100000000, -0.0002649100000000 ] - [ 0.0005272300000000, 0.0002579600000000, -0.0001806300000000 ] - [ -0.0005344400000000, 0.0000155600000000, -0.0007589700000000 ] - [ 0.0002546200000000, -0.0000091800000000, -0.0005953400000000 ] - [ -0.0002867800000000, -0.0017810000000000, 0.0000625700000000 ] - [ 0.0006350800000000, -0.0000097000000000, 0.0001712900000000 ] - [ -0.0001088200000000, 0.0005484800000000, 0.0001905700000000 ] - [ 0.0001516500000000, 0.0004572800000000, 0.0002369700000000 ] - [ -0.0009798900000000, -0.0017161300000000, 0.0025253000000000 ] - [ 0.0013968600000000, -0.0001915600000000, -0.0000644700000000 ] - [ 0.0000429400000000, -0.0008093200000000, -0.0003441500000000 ] - [ 0.0006961200000000, 0.0000751400000000, 0.0000877400000000 ] - [ -0.0006404100000000, -0.0000384400000000, 0.0003140600000000 ] - [ -0.0000880800000000, -0.0008481000000000, 0.0002862300000000 ] - [ -0.0004683400000000, 0.0000296400000000, -0.0003653700000000 ] - [ 0.0007676000000000, -0.0006644300000000, -0.0001451400000000 ] - [ 0.0069255000000000, 0.0017336700000000, 0.0033045200000000 ] - [ 0.0013296100000000, -0.0006977300000000, -0.0005594800000000 ] - [ -0.0001963400000000, 0.0009512000000000, 0.0002412800000000 ] - [ 0.0003901300000000, 0.0003237900000000, 0.0003960500000000 ] - [ -0.0003425900000000, 0.0001122600000000, -0.0002029900000000 ] - [ 0.0000579600000000, 0.0002042300000000, -0.0000724600000000 ] - [ 0.0179106900000000, -0.0073107500000000, 0.0039706100000000 ] - [ 0.0013555400000000, 0.0004069000000000, 0.0002050700000000 ] - [ 0.0001926700000000, 0.0011070400000000, -0.0006726000000000 ] - [ 0.0009585000000000, 0.0004619600000000, 0.0006188500000000 ] - [ -0.0001888500000000, -0.0007402400000000, 0.0000032300000000 ] - [ -0.0001017900000000, 0.0001613000000000, 0.0002229600000000 ] - [ 0.0015575500000000, -0.0016090000000000, 0.0008313300000000 ] - [ 0.0014030400000000, 0.0007297700000000, 0.0000158200000000 ] - [ -0.0005755600000000, -0.0002028200000000, 0.0001929400000000 ] - [ -0.0001455200000000, -0.0001087000000000, 0.0002773800000000 ] - [ -0.0010095400000000, 0.0001126400000000, 0.0001773300000000 ] - [ 0.0007991500000000, -0.0000821500000000, 0.0009762300000000 ] - [ -0.0000390000000000, -0.0000124500000000, -0.0002313300000000 ] - [ 0.0002558600000000, 0.0001788600000000, -0.0001273900000000 ] - [ 0.0001743900000000, 0.0012822600000000, -0.0004072600000000 ] - [ 0.0001118200000000, -0.0000354100000000, -0.0000076300000000 ] - [ -0.0002586900000000, 0.0000476700000000, 0.0002950300000000 ] - [ 0.0006016100000000, 0.0000833300000000, 0.0005617400000000 ]- atom: 73 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ -0.0004775700000000, 0.0025758300000000, 0.0013471700000000 ] - [ 0.0007871400000000, -0.0007600800000000, 0.0000338500000000 ] - [ 0.0036242800000000, 0.0031881100000000, -0.0056628300000000 ] - [ 0.0031342800000000, -0.0000170300000000, 0.0008898600000000 ] - [ 0.0023278200000000, 0.0052230800000000, -0.0026190800000000 ] - [ 0.0031864200000000, -0.0011454300000000, 0.0007150000000000 ] - [ -0.0006326800000000, -0.0007668300000000, 0.0000174200000000 ] - [ 0.0004407300000000, 0.0007947200000000, 0.0005325600000000 ] - [ -0.0008598300000000, -0.0016420300000000, 0.0008476000000000 ] - [ 0.0002147100000000, 0.0008754500000000, 0.0005986300000000 ] - [ -0.0003325600000000, -0.0009191400000000, -0.0003489500000000 ] - [ 0.0012778600000000, 0.0002920900000000, -0.0001572200000000 ] - [ -0.0005172700000000, 0.0008781100000000, -0.0001024400000000 ] - [ 0.0004371200000000, 0.0004473600000000, 0.0002334000000000 ] - [ 0.0011349900000000, -0.0024556100000000, -0.0006721100000000 ] - [ 0.0013723900000000, 0.0016402800000000, -0.0001032000000000 ] - [ -0.0001651800000000, 0.0003601100000000, 0.0000965900000000 ] - [ 0.0000194200000000, 0.0001701400000000, 0.0001636900000000 ] - [ -0.0003174900000000, 0.0005593800000000, -0.0002728800000000 ] - [ -0.0000131600000000, 0.0002925200000000, -0.0002121600000000 ] - [ -0.0002277400000000, 0.0006411100000000, 0.0001955600000000 ] - [ 0.0006591800000000, -0.0000315900000000, 0.0003371500000000 ] - [ -0.0065524100000000, 0.0014151200000000, -0.0001843300000000 ] - [ 0.0020594500000000, 0.0005375500000000, 0.0005362000000000 ] - [ -0.0008552700000000, 0.0004291500000000, -0.0002784900000000 ] - [ 0.0004832800000000, -0.0004509700000000, 0.0001303000000000 ] - [ -0.0014939500000000, -0.0005051100000000, -0.0016103100000000 ] - [ 0.0018917900000000, -0.0000656500000000, 0.0007366800000000 ] - [ -0.0009297200000000, 0.0003829100000000, -0.0000870900000000 ] - [ 0.0002850300000000, -0.0011871400000000, 0.0002466800000000 ] - [ -0.0026084800000000, 0.0003048600000000, -0.0007281500000000 ] - [ 0.0014757300000000, -0.0009346500000000, 0.0001302600000000 ] - [ 0.0003099700000000, -0.0008431200000000, 0.0002470900000000 ] - [ 0.0010619400000000, -0.0007228500000000, 0.0004697200000000 ] - [ -0.0358652000000000, 0.0169604300000000, -0.0134105000000000 ] - [ 0.0008813100000000, 0.0002666000000000, 0.0007644500000000 ] - [ -0.0009135600000000, -0.0007198400000000, -0.0002791800000000 ] - [ -0.0000965200000000, -0.0002088400000000, -0.0000608900000000 ] - [ -0.0140657600000000, 0.0084972500000000, -0.0000699600000000 ] - [ 0.0018428000000000, 0.0000278600000000, 0.0001692500000000 ] - [ 0.0004310300000000, -0.0002239700000000, -0.0006431700000000 ] - [ 0.0012382600000000, -0.0001272000000000, -0.0004430200000000 ] - [ -0.0015215300000000, 0.0006618700000000, -0.0003418800000000 ] - [ 0.0011548700000000, -0.0001633700000000, 0.0003851100000000 ] - [ -0.0007170500000000, -0.0008531700000000, -0.0000288800000000 ] - [ 0.0000866000000000, -0.0001775800000000, 0.0001716800000000 ] - [ -0.0017197400000000, -0.0008255500000000, -0.0026750100000000 ] - [ 0.0009903800000000, -0.0003656300000000, 0.0003129400000000 ] - [ -0.0002924300000000, 0.0009573600000000, -0.0000960200000000 ] - [ -0.0014137900000000, -0.0001779100000000, -0.0007787300000000 ] - [ 0.0002583600000000, 0.0000155300000000, 0.0002688800000000 ] - [ -0.0005200000000000, 0.0000517900000000, -0.0000017200000000 ] - [ -0.0001038800000000, -0.0007335100000000, -0.0001898600000000 ] - [ -0.0001752700000000, 0.0008464300000000, 0.0001523300000000 ] - [ 0.0001194100000000, -0.0006057700000000, 0.0004195200000000 ] - [ -0.0001438700000000, -0.0005228200000000, 0.0003336900000000 ] - [ -0.0000805800000000, 0.0005251800000000, -0.0002403400000000 ] - [ -0.0004265500000000, -0.0005939600000000, -0.0000811700000000 ] - [ 0.0008155500000000, -0.0005051700000000, -0.0003188900000000 ] - [ -0.0001348200000000, 0.0002070200000000, -0.0007568800000000 ] - [ 0.0001175500000000, -0.0002038700000000, 0.0000468700000000 ] - [ -0.0002227700000000, -0.0003722100000000, -0.0000414200000000 ] - [ -0.0001290600000000, 0.0035174800000000, 0.0055998200000000 ] - [ -0.0008804700000000, -0.0001825300000000, -0.0000670000000000 ] - [ -0.0003327800000000, -0.0007562800000000, -0.0003468800000000 ] - [ -0.0005268700000000, -0.0004416500000000, -0.0003884200000000 ] - [ 0.0005661800000000, 0.0001582200000000, 0.0000895500000000 ] - [ 0.0005334500000000, 0.0000057100000000, 0.0000659100000000 ] - [ 0.0012064400000000, 0.0007740800000000, 0.0004805700000000 ] - [ -0.0005922000000000, -0.0002705400000000, -0.0004108600000000 ] - [ -0.0010894800000000, 0.0007237200000000, 0.0005637000000000 ] - [ -0.0017102300000000, -0.0008599900000000, -0.0002644500000000 ] - [ 0.0764720700000000, -0.0434594800000000, 0.0234256800000000 ] - [ -0.0009095600000000, 0.0002462900000000, -0.0001290900000000 ] - [ 0.0012272900000000, -0.0027436500000000, -0.0009485700000000 ] - [ -0.0009953400000000, 0.0002460300000000, -0.0005433100000000 ] - [ 0.0026611700000000, -0.0007189500000000, 0.0017361200000000 ] - [ -0.0006792000000000, -0.0000699800000000, -0.0004971700000000 ] - [ -0.0073284600000000, 0.0039645900000000, 0.0047885200000000 ] - [ -0.0008675000000000, -0.0007160300000000, -0.0002143700000000 ] - [ -0.0002890800000000, 0.0002043400000000, 0.0000305600000000 ] - [ -0.0005329300000000, -0.0001500700000000, -0.0000050500000000 ] - [ -0.0004860800000000, -0.0001950100000000, 0.0003444700000000 ] - [ -0.0008811800000000, -0.0002960400000000, 0.0002324500000000 ] - [ 0.0004797100000000, 0.0000253300000000, 0.0000580600000000 ] - [ -0.0003907200000000, 0.0001578500000000, -0.0001175000000000 ] - [ 0.0017284100000000, -0.0022102100000000, 0.0003646800000000 ] - [ -0.0001819500000000, -0.0003028900000000, -0.0000410700000000 ] - [ -0.0000695900000000, 0.0003287500000000, -0.0001398300000000 ] - [ -0.0002045800000000, 0.0007883900000000, -0.0001817000000000 ] - [ -0.0001001200000000, 0.0002935400000000, -0.0002725500000000 ] - [ -0.0000873800000000, 0.0001319400000000, -0.0002547400000000 ] - [ 0.0022659900000000, 0.0013080900000000, -0.0005262300000000 ] - [ -0.0013300600000000, 0.0000658900000000, -0.0001022400000000 ] - [ 0.0001327200000000, -0.0004882000000000, 0.0001215500000000 ] - [ -0.0005955400000000, 0.0005928700000000, -0.0001370200000000 ] - [ 0.0009210500000000, 0.0004487800000000, -0.0000275100000000 ] - [ 0.0004544500000000, 0.0000512300000000, -0.0001102200000000 ] - [ 0.0006211400000000, -0.0002166500000000, 0.0008193600000000 ] - [ -0.0008007500000000, -0.0000987300000000, 0.0004880200000000 ] - [ 0.0019411800000000, 0.0038799500000000, 0.0000020300000000 ] - [ -0.0007518100000000, -0.0001515900000000, -0.0000772000000000 ] - [ -0.0014106200000000, -0.0040124300000000, 0.0000736400000000 ] - [ -0.0007771700000000, 0.0009151600000000, 0.0001162600000000 ] - [ 0.0004656700000000, 0.0004041200000000, -0.0002069000000000 ] - [ 0.0002597900000000, 0.0000910600000000, -0.0002899400000000 ] - [ 0.0003335500000000, 0.0000492600000000, -0.0005911400000000 ] - [ -0.0004559400000000, 0.0000750400000000, -0.0007547700000000 ] - [ 0.0006684600000000, 0.0013512200000000, 0.0001846000000000 ] - [ -0.0002431100000000, -0.0004283200000000, 0.0000759900000000 ] - [ 0.0001447100000000, 0.0005487800000000, 0.0002306300000000 ] - [ -0.0001147400000000, 0.0006401700000000, 0.0001846500000000 ] - [ 0.0024048000000000, 0.0011074900000000, -0.0030585500000000 ] - [ 0.0000022100000000, -0.0004017100000000, -0.0005000300000000 ] - [ 0.0003471200000000, 0.0004105500000000, 0.0001104300000000 ] - [ -0.0002998200000000, -0.0004793600000000, -0.0003165600000000 ] - [ -0.0000647100000000, -0.0009997600000000, 0.0001258600000000 ] - [ -0.0006206700000000, -0.0001917400000000, 0.0001509400000000 ] - [ 0.0011742600000000, -0.0010700300000000, -0.0000743100000000 ] - [ -0.0000600700000000, -0.0003725900000000, -0.0002925700000000 ] - [ -0.0069804800000000, -0.0029829200000000, -0.0041130600000000 ] - [ -0.0012960600000000, -0.0005263000000000, -0.0001943700000000 ] - [ 0.0002362900000000, 0.0002719800000000, 0.0003171600000000 ] - [ -0.0003479300000000, 0.0009001800000000, 0.0001630200000000 ] - [ 0.0000807400000000, 0.0003094200000000, -0.0000663600000000 ] - [ -0.0003199900000000, 0.0002168900000000, -0.0001979900000000 ] - [ -0.0173628100000000, 0.0074314900000000, -0.0033534000000000 ] - [ -0.0011970600000000, -0.0001021400000000, 0.0003200700000000 ] - [ -0.0002256400000000, -0.0000118400000000, 0.0002574500000000 ] - [ -0.0009962600000000, 0.0006360300000000, -0.0010350700000000 ] - [ -0.0002062300000000, 0.0003395100000000, 0.0002267800000000 ] - [ -0.0002953000000000, -0.0005626400000000, 0.0000053000000000 ] - [ -0.0007848100000000, 0.0014777900000000, -0.0008580400000000 ] - [ -0.0006303800000000, -0.0008676200000000, -0.0000378900000000 ] - [ -0.0001207000000000, -0.0000084100000000, 0.0002812900000000 ] - [ -0.0005513200000000, -0.0001029300000000, 0.0001968200000000 ] - [ 0.0012185700000000, -0.0000457600000000, 0.0011737400000000 ] - [ -0.0005987600000000, 0.0001452700000000, 0.0003751800000000 ] - [ 0.0002450800000000, 0.0003074300000000, -0.0001068300000000 ] - [ -0.0000510300000000, 0.0001162000000000, -0.0002107200000000 ] - [ -0.0002140600000000, -0.0000626600000000, -0.0001504500000000 ] - [ -0.0001582100000000, 0.0012550500000000, -0.0005505300000000 ] - [ 0.0007359000000000, 0.0002401700000000, 0.0006074700000000 ] - [ -0.0001246100000000, 0.0002067200000000, 0.0003407500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020406600000000, 0.0015221300000000, -0.0020436400000000 ] - [ 0.0006091100000000, 0.0010904200000000, -0.0000201000000000 ] - [ -0.0016045900000000, 0.0060890600000000, 0.0007752000000000 ] - [ 0.0006157500000000, 0.0020327100000000, 0.0000972400000000 ] - [ -0.0040739900000000, 0.0021622600000000, 0.0011353100000000 ] - [ 0.0015584300000000, 0.0011635700000000, 0.0003371000000000 ] - [ 0.0005663300000000, -0.0013370100000000, 0.0000121600000000 ] - [ -0.0006853300000000, -0.0002287000000000, 0.0002159700000000 ] - [ 0.0005715200000000, -0.0013504700000000, 0.0017921900000000 ] - [ -0.0009561900000000, -0.0000685100000000, 0.0001381800000000 ] - [ 0.0012395400000000, -0.0025691100000000, 0.0004343100000000 ] - [ 0.0002702900000000, -0.0002843700000000, -0.0004281500000000 ] - [ -0.0004494400000000, -0.0007572600000000, 0.0001542300000000 ] - [ 0.0001864500000000, -0.0000412000000000, 0.0001524500000000 ] - [ 0.0025680700000000, -0.0008421400000000, -0.0008633900000000 ] - [ -0.0011709700000000, 0.0001244900000000, -0.0006087700000000 ] - [ -0.0001826900000000, -0.0008534300000000, 0.0001133300000000 ] - [ 0.0000815900000000, -0.0006882600000000, 0.0001846300000000 ] - [ -0.0002825500000000, -0.0007133400000000, -0.0003049900000000 ] - [ 0.0000203800000000, -0.0004121800000000, -0.0002151800000000 ] - [ -0.0002568100000000, -0.0011581000000000, -0.0000656700000000 ] - [ 0.0004619600000000, -0.0004181800000000, 0.0003033600000000 ] - [ 0.0002097800000000, 0.0073215300000000, 0.0004729300000000 ] - [ 0.0007419300000000, 0.0016614200000000, 0.0003172200000000 ] - [ -0.0007769000000000, -0.0008707000000000, -0.0001202900000000 ] - [ 0.0002508400000000, -0.0002884200000000, 0.0000621900000000 ] - [ 0.0005011500000000, 0.0015456200000000, 0.0009706800000000 ] - [ 0.0004833600000000, 0.0002460900000000, 0.0001903500000000 ] - [ -0.0017291800000000, -0.0033537500000000, -0.0001346100000000 ] - [ 0.0000101400000000, -0.0009667600000000, 0.0001850200000000 ] - [ -0.0017776100000000, -0.0045899900000000, -0.0002123700000000 ] - [ 0.0006709300000000, -0.0007597900000000, -0.0000747500000000 ] - [ 0.0006864400000000, -0.0019291100000000, 0.0004073300000000 ] - [ 0.0006936200000000, -0.0012760300000000, 0.0003639700000000 ] - [ -0.0179720600000000, 0.0213954200000000, -0.0081554700000000 ] - [ -0.0009005500000000, 0.0008214400000000, 0.0004844000000000 ] - [ -0.0003798600000000, -0.0014663400000000, -0.0001090400000000 ] - [ -0.0005740900000000, -0.0009463000000000, -0.0001932200000000 ] - [ -0.0072105200000000, 0.0291288100000000, 0.0016870200000000 ] - [ 0.0003288700000000, 0.0002462700000000, -0.0000826600000000 ] - [ 0.0009019300000000, -0.0014756200000000, -0.0005462700000000 ] - [ 0.0008683900000000, -0.0006522700000000, -0.0005317800000000 ] - [ -0.0003458000000000, -0.0005609500000000, -0.0002353700000000 ] - [ 0.0003633100000000, 0.0000317300000000, 0.0001629200000000 ] - [ -0.0001209300000000, -0.0018391700000000, 0.0001246300000000 ] - [ -0.0003555800000000, -0.0009337700000000, 0.0000556100000000 ] - [ -0.0005483000000000, 0.0015140300000000, -0.0004043700000000 ] - [ -0.0009550200000000, 0.0003013500000000, -0.0003716000000000 ] - [ -0.0012148300000000, -0.0019336300000000, 0.0001820500000000 ] - [ -0.0003205400000000, -0.0006268700000000, 0.0000498800000000 ] - [ -0.0001638300000000, 0.0006220100000000, 0.0000702200000000 ] - [ -0.0002006000000000, 0.0001770800000000, 0.0001301100000000 ] - [ 0.0012663400000000, 0.0004848800000000, 0.0002374100000000 ] - [ -0.0004681100000000, 0.0002601400000000, -0.0000209500000000 ] - [ 0.0000282900000000, 0.0001313900000000, 0.0003551400000000 ] - [ -0.0000254100000000, -0.0002040300000000, 0.0003547600000000 ] - [ -0.0006925700000000, 0.0008137100000000, -0.0003121400000000 ] - [ 0.0000033600000000, 0.0000382100000000, -0.0001731800000000 ] - [ 0.0009137000000000, 0.0006544700000000, -0.0009972400000000 ] - [ 0.0001241700000000, 0.0000032600000000, -0.0006842800000000 ] - [ -0.0000584700000000, 0.0003854600000000, 0.0000333600000000 ] - [ -0.0000354600000000, 0.0000148600000000, 0.0000074000000000 ] - [ -0.0041805700000000, 0.0006976700000000, 0.0063319000000000 ] - [ -0.0001733200000000, -0.0002512100000000, 0.0001364500000000 ] - [ -0.0002080700000000, 0.0000075200000000, -0.0002829100000000 ] - [ -0.0005194600000000, -0.0002459200000000, -0.0003811000000000 ] - [ 0.0005458900000000, 0.0005757500000000, 0.0000903100000000 ] - [ 0.0006925100000000, 0.0005210500000000, 0.0001284000000000 ] - [ 0.0000014000000000, 0.0001787200000000, 0.0000927100000000 ] - [ 0.0003018100000000, -0.0001499900000000, -0.0000550600000000 ] - [ -0.0011407800000000, -0.0001323100000000, 0.0000634400000000 ] - [ 0.0004079500000000, 0.0001758600000000, 0.0005818700000000 ] - [ 0.0431834000000000, -0.0774891200000000, 0.0077091600000000 ] - [ 0.0000965100000000, -0.0001989000000000, 0.0000958100000000 ] - [ 0.0032364000000000, 0.0067631800000000, 0.0020511900000000 ] - [ -0.0004701000000000, -0.0000313200000000, -0.0004726700000000 ] - [ 0.0007678900000000, -0.0028757800000000, 0.0000603300000000 ] - [ 0.0003040800000000, -0.0005233100000000, -0.0002163500000000 ] - [ -0.0040284900000000, -0.0016260600000000, 0.0019034400000000 ] - [ 0.0001571700000000, -0.0010529900000000, -0.0000241700000000 ] - [ -0.0007048500000000, 0.0007476600000000, 0.0000284100000000 ] - [ -0.0003394600000000, 0.0002497200000000, 0.0000184700000000 ] - [ -0.0006293300000000, 0.0003907600000000, 0.0002600200000000 ] - [ -0.0006905300000000, -0.0000285000000000, 0.0002844800000000 ] - [ -0.0001394700000000, 0.0011125800000000, -0.0000145200000000 ] - [ -0.0000881300000000, 0.0002830900000000, -0.0000753200000000 ] - [ 0.0006473800000000, -0.0011315700000000, 0.0008715100000000 ] - [ 0.0002262300000000, -0.0009474700000000, 0.0002786600000000 ] - [ 0.0001847200000000, 0.0012203600000000, -0.0001079200000000 ] - [ -0.0003153300000000, 0.0009666700000000, -0.0002199600000000 ] - [ -0.0001222500000000, 0.0007298600000000, -0.0002781000000000 ] - [ 0.0000469900000000, 0.0006039800000000, -0.0002309100000000 ] - [ -0.0013091700000000, 0.0062422400000000, -0.0076545800000000 ] - [ -0.0007025900000000, -0.0000818800000000, 0.0000572400000000 ] - [ 0.0003267100000000, 0.0009914200000000, 0.0000505700000000 ] - [ -0.0005428800000000, 0.0005446400000000, -0.0001010900000000 ] - [ 0.0006451300000000, 0.0008452200000000, -0.0001681400000000 ] - [ 0.0007066000000000, 0.0004588100000000, -0.0000402500000000 ] - [ 0.0002259100000000, 0.0007165800000000, -0.0000180200000000 ] - [ -0.0003858200000000, -0.0000846700000000, 0.0006116100000000 ] - [ -0.0029478800000000, 0.0089191300000000, -0.0009609500000000 ] - [ 0.0000839300000000, -0.0000989200000000, 0.0000343000000000 ] - [ 0.0047486300000000, 0.0028534700000000, 0.0004718900000000 ] - [ -0.0003557000000000, 0.0002346300000000, 0.0000545600000000 ] - [ 0.0001441300000000, 0.0008613200000000, -0.0003854900000000 ] - [ 0.0004648500000000, 0.0004926200000000, -0.0002067600000000 ] - [ -0.0001170100000000, 0.0006790400000000, -0.0006565800000000 ] - [ -0.0001749100000000, 0.0002424300000000, -0.0006938200000000 ] - [ -0.0012160600000000, 0.0019929900000000, 0.0001529800000000 ] - [ 0.0003732600000000, -0.0002946900000000, 0.0001310300000000 ] - [ 0.0000054100000000, 0.0012573400000000, 0.0002365800000000 ] - [ -0.0000246600000000, 0.0009616800000000, 0.0002146100000000 ] - [ -0.0003745900000000, -0.0007109700000000, -0.0049902900000000 ] - [ 0.0007719000000000, -0.0006724600000000, -0.0002314400000000 ] - [ -0.0005243700000000, 0.0002605100000000, -0.0006944200000000 ] - [ 0.0004807000000000, -0.0002637200000000, -0.0000067600000000 ] - [ -0.0000063500000000, 0.0001248300000000, 0.0007606800000000 ] - [ -0.0005318200000000, -0.0003733500000000, 0.0001650300000000 ] - [ 0.0007858500000000, 0.0004923200000000, 0.0006778300000000 ] - [ 0.0002346200000000, -0.0004771600000000, -0.0002329800000000 ] - [ 0.0017050300000000, -0.0031771400000000, 0.0003137300000000 ] - [ -0.0001822300000000, -0.0013855000000000, -0.0002199000000000 ] - [ 0.0003295900000000, 0.0009770600000000, 0.0004123700000000 ] - [ -0.0003845000000000, 0.0008966800000000, 0.0001483600000000 ] - [ -0.0000333400000000, 0.0009199500000000, -0.0001208900000000 ] - [ -0.0001248800000000, 0.0005372600000000, -0.0001524100000000 ] - [ -0.0081859500000000, -0.0017248900000000, -0.0012825500000000 ] - [ 0.0003754600000000, -0.0005834300000000, 0.0002925000000000 ] - [ -0.0000931600000000, -0.0010262400000000, -0.0001811100000000 ] - [ -0.0001113400000000, -0.0003210300000000, -0.0004578900000000 ] - [ -0.0004090700000000, 0.0003969000000000, 0.0000680900000000 ] - [ 0.0000047300000000, 0.0000862600000000, 0.0002483200000000 ] - [ -0.0013166400000000, -0.0003272700000000, -0.0006369200000000 ] - [ 0.0007594400000000, -0.0004923600000000, -0.0000777000000000 ] - [ -0.0002627400000000, 0.0005318300000000, 0.0002675400000000 ] - [ -0.0003514500000000, 0.0002230300000000, 0.0002584100000000 ] - [ 0.0009420100000000, 0.0000861300000000, 0.0007467300000000 ] - [ -0.0001159800000000, -0.0001390200000000, 0.0005738100000000 ] - [ -0.0000346900000000, 0.0007753100000000, -0.0001411800000000 ] - [ 0.0000742600000000, 0.0004908100000000, -0.0001848800000000 ] - [ 0.0004886400000000, 0.0007367500000000, -0.0002266200000000 ] - [ -0.0006714800000000, 0.0007014400000000, -0.0005805000000000 ] - [ 0.0003409300000000, 0.0012103400000000, 0.0004557200000000 ] - [ 0.0001568100000000, 0.0003657000000000, 0.0004313400000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016400700000000, -0.0009006500000000, 0.0015345000000000 ] - [ -0.0010184000000000, -0.0004575700000000, -0.0004934300000000 ] - [ 0.0018458500000000, -0.0053221600000000, -0.0010536100000000 ] - [ -0.0004129900000000, -0.0012806700000000, -0.0003627400000000 ] - [ 0.0041468100000000, -0.0007327100000000, -0.0012778000000000 ] - [ -0.0014921800000000, 0.0002832600000000, -0.0004785500000000 ] - [ -0.0009814400000000, 0.0019280500000000, 0.0006835700000000 ] - [ 0.0002777800000000, 0.0008169800000000, 0.0004777800000000 ] - [ -0.0016167000000000, 0.0013625900000000, -0.0010799500000000 ] - [ -0.0000918800000000, 0.0000777300000000, 0.0005646600000000 ] - [ -0.0001959800000000, 0.0025826700000000, -0.0011419000000000 ] - [ 0.0007789900000000, 0.0002873000000000, -0.0002735500000000 ] - [ 0.0003853300000000, 0.0022132400000000, -0.0000109900000000 ] - [ -0.0002476500000000, 0.0014980600000000, -0.0000095700000000 ] - [ -0.0021474100000000, 0.0014411300000000, 0.0001636800000000 ] - [ 0.0015781900000000, 0.0004689800000000, -0.0000864900000000 ] - [ -0.0000260400000000, 0.0016034600000000, 0.0001502300000000 ] - [ -0.0002942600000000, 0.0014381500000000, 0.0000783500000000 ] - [ -0.0000927300000000, 0.0017381200000000, -0.0002103900000000 ] - [ -0.0003991100000000, 0.0014368300000000, -0.0003018400000000 ] - [ 0.0006626700000000, 0.0017979900000000, 0.0005763700000000 ] - [ -0.0000532200000000, 0.0010595800000000, 0.0002094600000000 ] - [ 0.0002028600000000, -0.0062894000000000, 0.0000910600000000 ] - [ -0.0003680000000000, -0.0006374800000000, 0.0001987300000000 ] - [ 0.0004781600000000, 0.0009427800000000, -0.0000638100000000 ] - [ -0.0005550100000000, 0.0003608400000000, -0.0002464100000000 ] - [ 0.0004820800000000, -0.0022730500000000, -0.0006393100000000 ] - [ 0.0004951000000000, -0.0009581300000000, 0.0001549600000000 ] - [ 0.0009668900000000, 0.0019735100000000, 0.0003930900000000 ] - [ -0.0007831500000000, -0.0004280500000000, 0.0000720700000000 ] - [ 0.0025345100000000, 0.0031811400000000, -0.0000480200000000 ] - [ 0.0001033700000000, -0.0006297600000000, -0.0001861100000000 ] - [ 0.0007186600000000, 0.0005597000000000, 0.0003093700000000 ] - [ 0.0007129000000000, -0.0000952500000000, 0.0003532900000000 ] - [ 0.0155070100000000, -0.0213043500000000, 0.0088332500000000 ] - [ -0.0008219100000000, -0.0009762400000000, 0.0005685200000000 ] - [ -0.0005933100000000, 0.0007560300000000, -0.0002323400000000 ] - [ -0.0004030000000000, 0.0002375600000000, -0.0001490000000000 ] - [ 0.0088293100000000, -0.0320806900000000, -0.0020296700000000 ] - [ 0.0002612600000000, -0.0009325400000000, -0.0000570500000000 ] - [ 0.0008210200000000, 0.0013130700000000, -0.0005135600000000 ] - [ 0.0008581000000000, 0.0004878500000000, -0.0005270600000000 ] - [ 0.0006443000000000, 0.0006475500000000, 0.0004240900000000 ] - [ -0.0000626100000000, 0.0000496400000000, 0.0000273900000000 ] - [ -0.0004762300000000, 0.0011505800000000, 0.0000247200000000 ] - [ -0.0002417500000000, 0.0002474300000000, 0.0000945500000000 ] - [ -0.0008624800000000, -0.0028770200000000, -0.0003215500000000 ] - [ -0.0004495300000000, -0.0016708000000000, -0.0003539800000000 ] - [ 0.0000945400000000, 0.0020060700000000, -0.0003446500000000 ] - [ -0.0007975100000000, 0.0006948300000000, -0.0002109700000000 ] - [ -0.0001724400000000, -0.0006548100000000, 0.0001869800000000 ] - [ -0.0001354600000000, -0.0002084300000000, 0.0001266400000000 ] - [ -0.0010419700000000, -0.0001081000000000, -0.0002594900000000 ] - [ 0.0007021100000000, 0.0001172900000000, 0.0000004400000000 ] - [ -0.0000576900000000, -0.0013537300000000, 0.0003947700000000 ] - [ -0.0000052400000000, -0.0010184200000000, 0.0003948300000000 ] - [ 0.0002967200000000, -0.0012461300000000, 0.0000634400000000 ] - [ -0.0003939900000000, -0.0004740100000000, -0.0000744000000000 ] - [ -0.0002918400000000, -0.0009117000000000, -0.0002778500000000 ] - [ 0.0005017500000000, -0.0002571500000000, -0.0005939800000000 ] - [ -0.0000697600000000, -0.0010832900000000, -0.0000318200000000 ] - [ -0.0000931600000000, -0.0007117700000000, -0.0000056400000000 ] - [ 0.0039957100000000, -0.0003822800000000, -0.0060250100000000 ] - [ -0.0000323200000000, 0.0005492200000000, 0.0002015200000000 ] - [ -0.0006483400000000, -0.0012767400000000, -0.0004390000000000 ] - [ -0.0003353600000000, -0.0010222200000000, -0.0003402000000000 ] - [ 0.0005720500000000, -0.0005102100000000, 0.0000725200000000 ] - [ 0.0004271100000000, -0.0004553000000000, 0.0000349700000000 ] - [ 0.0003323000000000, -0.0002169400000000, -0.0003476300000000 ] - [ 0.0000334800000000, 0.0001166900000000, -0.0002017100000000 ] - [ 0.0003585200000000, 0.0004782500000000, 0.0004065000000000 ] - [ -0.0012003600000000, 0.0001680500000000, -0.0001122800000000 ] - [ -0.0432910600000000, 0.0798592000000000, -0.0068849800000000 ] - [ 0.0001682600000000, 0.0006213100000000, 0.0001723900000000 ] - [ -0.0037559000000000, -0.0065624700000000, -0.0029931500000000 ] - [ -0.0000075600000000, 0.0003250600000000, -0.0004300000000000 ] - [ -0.0000683300000000, 0.0026713500000000, -0.0005512800000000 ] - [ 0.0003920400000000, 0.0003127000000000, -0.0002579500000000 ] - [ 0.0041716800000000, 0.0008956100000000, -0.0019166700000000 ] - [ -0.0000296400000000, 0.0003546900000000, 0.0000222600000000 ] - [ -0.0000647700000000, -0.0008903000000000, -0.0000061800000000 ] - [ -0.0004325300000000, -0.0003900200000000, 0.0000039100000000 ] - [ -0.0007718200000000, -0.0009864800000000, 0.0003039000000000 ] - [ -0.0007099400000000, -0.0005660600000000, 0.0002787800000000 ] - [ 0.0000722500000000, -0.0009626100000000, -0.0000929600000000 ] - [ 0.0000200800000000, -0.0001285700000000, -0.0000318000000000 ] - [ 0.0002112400000000, -0.0001453300000000, -0.0001521700000000 ] - [ 0.0006299600000000, -0.0003224000000000, 0.0004431600000000 ] - [ -0.0003990500000000, -0.0001307600000000, -0.0002074600000000 ] - [ 0.0001038100000000, 0.0001241600000000, -0.0000948600000000 ] - [ -0.0000406800000000, -0.0004209200000000, -0.0002451400000000 ] - [ -0.0002080800000000, -0.0002954400000000, -0.0002919500000000 ] - [ -0.0000067500000000, -0.0059742200000000, 0.0078784500000000 ] - [ -0.0006269100000000, 0.0004329500000000, 0.0000563300000000 ] - [ -0.0005564200000000, -0.0006157900000000, -0.0000294000000000 ] - [ 0.0003098300000000, -0.0001709400000000, 0.0001218200000000 ] - [ 0.0006838700000000, -0.0004957800000000, 0.0000533600000000 ] - [ 0.0006229800000000, -0.0001102000000000, -0.0000734600000000 ] - [ -0.0008488200000000, -0.0009721300000000, 0.0012909300000000 ] - [ -0.0002401200000000, -0.0001718700000000, 0.0006666100000000 ] - [ 0.0029515100000000, -0.0086176400000000, 0.0010461000000000 ] - [ -0.0000161700000000, 0.0002504500000000, 0.0000729600000000 ] - [ -0.0044859000000000, -0.0017426200000000, -0.0001524200000000 ] - [ 0.0005683600000000, 0.0008536500000000, 0.0002600300000000 ] - [ 0.0006425500000000, -0.0005124400000000, -0.0000845600000000 ] - [ 0.0003197600000000, -0.0001418700000000, -0.0002645800000000 ] - [ -0.0000842700000000, -0.0006129100000000, -0.0006938400000000 ] - [ -0.0000265500000000, -0.0001770800000000, -0.0006567600000000 ] - [ 0.0016194200000000, -0.0024391600000000, 0.0000938800000000 ] - [ 0.0000175300000000, -0.0001382000000000, 0.0001163300000000 ] - [ 0.0000313100000000, -0.0001598600000000, 0.0001847500000000 ] - [ 0.0000605900000000, 0.0001359600000000, 0.0002065700000000 ] - [ 0.0017737300000000, 0.0000893300000000, 0.0044279400000000 ] - [ 0.0006285700000000, 0.0000777900000000, -0.0003322200000000 ] - [ 0.0009212100000000, -0.0006599100000000, 0.0004708200000000 ] - [ -0.0000863900000000, -0.0001349600000000, -0.0002224800000000 ] - [ -0.0007025400000000, -0.0011638100000000, -0.0003273800000000 ] - [ -0.0001747000000000, -0.0006631100000000, 0.0002731000000000 ] - [ -0.0000763700000000, -0.0015293200000000, -0.0011096400000000 ] - [ 0.0004722100000000, -0.0005618500000000, -0.0002051600000000 ] - [ -0.0016390100000000, 0.0019753000000000, -0.0010498700000000 ] - [ 0.0002104700000000, 0.0001648200000000, -0.0005297100000000 ] - [ -0.0002873500000000, 0.0002452400000000, 0.0001467400000000 ] - [ 0.0004246600000000, 0.0003259700000000, 0.0004098400000000 ] - [ -0.0002297700000000, -0.0004981000000000, -0.0001482900000000 ] - [ -0.0001372800000000, -0.0001154400000000, -0.0001163200000000 ] - [ 0.0083328900000000, 0.0020850800000000, 0.0017979400000000 ] - [ -0.0002125200000000, 0.0008942600000000, 0.0002295600000000 ] - [ 0.0000597200000000, 0.0021295300000000, -0.0002391500000000 ] - [ 0.0000736100000000, 0.0014207700000000, 0.0000354100000000 ] - [ 0.0000127500000000, -0.0007983800000000, 0.0001602300000000 ] - [ -0.0003994200000000, -0.0004883600000000, -0.0000191900000000 ] - [ 0.0020871200000000, 0.0001774700000000, 0.0006144800000000 ] - [ 0.0000112900000000, 0.0003476800000000, 0.0000543100000000 ] - [ -0.0004341800000000, -0.0007429500000000, 0.0002060800000000 ] - [ -0.0003448200000000, -0.0004341600000000, 0.0002153900000000 ] - [ -0.0007430400000000, -0.0000156600000000, 0.0006058800000000 ] - [ 0.0003180800000000, 0.0002071700000000, 0.0007771000000000 ] - [ 0.0002406100000000, -0.0004784600000000, -0.0001961400000000 ] - [ 0.0001326400000000, -0.0001950600000000, -0.0001526400000000 ] - [ -0.0005312000000000, 0.0004890400000000, -0.0003323500000000 ] - [ 0.0006333700000000, 0.0005250400000000, 0.0000226500000000 ] - [ 0.0001371400000000, -0.0009164100000000, 0.0004474500000000 ] - [ 0.0003197400000000, -0.0000761200000000, 0.0004716900000000 ]- atom: 73 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0010558500000000, -0.0005227300000000, -0.0012721700000000 ] - [ -0.0002034900000000, 0.0005316600000000, -0.0007472000000000 ] - [ 0.0062828400000000, 0.0026918200000000, -0.0022981000000000 ] - [ -0.0003253800000000, 0.0005195500000000, 0.0001172300000000 ] - [ 0.0020348000000000, 0.0023802900000000, 0.0006992000000000 ] - [ 0.0001015700000000, 0.0007547300000000, 0.0003388700000000 ] - [ -0.0000067100000000, -0.0001346000000000, 0.0002725100000000 ] - [ -0.0002837000000000, 0.0002294800000000, 0.0003611900000000 ] - [ -0.0009354100000000, 0.0011643600000000, 0.0001183800000000 ] - [ -0.0005896000000000, -0.0002030900000000, -0.0000848400000000 ] - [ 0.0002250500000000, 0.0008447400000000, -0.0002252400000000 ] - [ 0.0005117300000000, -0.0000164000000000, -0.0003905600000000 ] - [ 0.0000612400000000, 0.0007492700000000, 0.0000551000000000 ] - [ -0.0000926300000000, 0.0007143700000000, 0.0000861200000000 ] - [ 0.0005268700000000, -0.0005619800000000, -0.0000315400000000 ] - [ 0.0001212800000000, 0.0001995000000000, 0.0001475400000000 ] - [ -0.0000981800000000, 0.0003542400000000, 0.0001479600000000 ] - [ -0.0001155200000000, 0.0003345000000000, 0.0001541300000000 ] - [ -0.0001911400000000, 0.0004595500000000, -0.0002775100000000 ] - [ -0.0001967800000000, 0.0004799500000000, -0.0002856900000000 ] - [ 0.0001996800000000, 0.0001174800000000, 0.0002927800000000 ] - [ 0.0001698400000000, 0.0003108000000000, 0.0002085700000000 ] - [ 0.0000999400000000, 0.0005297200000000, 0.0053963300000000 ] - [ 0.0002580900000000, 0.0005288100000000, 0.0000063900000000 ] - [ -0.0000311400000000, 0.0000531900000000, -0.0003247700000000 ] - [ -0.0002207800000000, 0.0000691200000000, -0.0001021000000000 ] - [ 0.0014029400000000, 0.0004675000000000, -0.0049056800000000 ] - [ 0.0003128300000000, -0.0003402500000000, 0.0000996600000000 ] - [ -0.0005873200000000, -0.0011714200000000, 0.0003854600000000 ] - [ -0.0003468100000000, -0.0007343200000000, 0.0001152500000000 ] - [ 0.0003466900000000, -0.0003804800000000, 0.0006555900000000 ] - [ 0.0003707200000000, -0.0007073200000000, -0.0001433000000000 ] - [ 0.0007495000000000, -0.0007009800000000, 0.0003248100000000 ] - [ 0.0006686100000000, -0.0007132700000000, 0.0003480700000000 ] - [ 0.0029960600000000, -0.0035216300000000, 0.0114553400000000 ] - [ -0.0006624400000000, 0.0000148700000000, 0.0005633700000000 ] - [ -0.0004297900000000, -0.0003641000000000, -0.0002103500000000 ] - [ -0.0005450300000000, -0.0004237000000000, -0.0001776000000000 ] - [ -0.0029869700000000, 0.0034514600000000, 0.0090545800000000 ] - [ 0.0003244800000000, -0.0003056700000000, -0.0000319400000000 ] - [ 0.0009016500000000, -0.0001326900000000, -0.0004677400000000 ] - [ 0.0008394300000000, -0.0001072000000000, -0.0005332400000000 ] - [ 0.0005434000000000, -0.0003042800000000, -0.0004539600000000 ] - [ -0.0000216600000000, 0.0000352200000000, 0.0000339200000000 ] - [ -0.0002784400000000, -0.0003243400000000, 0.0001326000000000 ] - [ -0.0003188800000000, -0.0003865900000000, 0.0000602800000000 ] - [ 0.0012460400000000, -0.0016038200000000, -0.0046523300000000 ] - [ -0.0013671000000000, -0.0005153100000000, -0.0004272600000000 ] - [ -0.0008580300000000, -0.0006373100000000, 0.0020236000000000 ] - [ -0.0003971900000000, 0.0000043300000000, 0.0000799700000000 ] - [ -0.0002170900000000, -0.0000055000000000, 0.0002176200000000 ] - [ -0.0001406500000000, -0.0000077900000000, 0.0001386700000000 ] - [ 0.0003287000000000, 0.0002492200000000, -0.0002025500000000 ] - [ -0.0000087000000000, 0.0002538400000000, -0.0000065700000000 ] - [ -0.0000224600000000, -0.0005877100000000, 0.0003475900000000 ] - [ -0.0000048600000000, -0.0006000400000000, 0.0003763900000000 ] - [ -0.0001466000000000, -0.0002483600000000, -0.0002955600000000 ] - [ -0.0001986300000000, -0.0001856000000000, -0.0001083900000000 ] - [ 0.0001908200000000, -0.0002751900000000, -0.0008418100000000 ] - [ 0.0003250900000000, -0.0001198200000000, -0.0006666000000000 ] - [ -0.0000784500000000, -0.0003114000000000, 0.0000071700000000 ] - [ -0.0000491600000000, -0.0003292600000000, 0.0000029700000000 ] - [ -0.0054254200000000, 0.0057601700000000, 0.0075442800000000 ] - [ -0.0000340700000000, 0.0001580300000000, 0.0001620700000000 ] - [ -0.0004439300000000, -0.0006255300000000, -0.0003279500000000 ] - [ -0.0004124800000000, -0.0006352700000000, -0.0003610000000000 ] - [ 0.0005611300000000, 0.0000392200000000, 0.0000927400000000 ] - [ 0.0005735400000000, 0.0000733300000000, 0.0000844300000000 ] - [ -0.0002561800000000, 0.0001642500000000, 0.0006590500000000 ] - [ 0.0004178300000000, 0.0000683500000000, -0.0001111100000000 ] - [ -0.0004022100000000, 0.0002042600000000, 0.0010691100000000 ] - [ 0.0012905800000000, 0.0013482100000000, 0.0005787900000000 ] - [ -0.0026455400000000, -0.0038505500000000, -0.0332254400000000 ] - [ 0.0001197300000000, 0.0001829300000000, 0.0001220000000000 ] - [ 0.0007809600000000, 0.0018761100000000, -0.0016129700000000 ] - [ -0.0002582100000000, 0.0001583400000000, -0.0004318000000000 ] - [ -0.0015260800000000, -0.0005267500000000, 0.0047692600000000 ] - [ 0.0004893700000000, -0.0001487000000000, -0.0002164300000000 ] - [ -0.0052857500000000, 0.0021866100000000, 0.0006898000000000 ] - [ 0.0001583600000000, -0.0004198200000000, -0.0002459800000000 ] - [ -0.0003668500000000, -0.0000686900000000, -0.0000805500000000 ] - [ -0.0003789800000000, -0.0000573100000000, 0.0000059200000000 ] - [ -0.0007268900000000, -0.0003285900000000, 0.0002603300000000 ] - [ -0.0006874600000000, -0.0002838100000000, 0.0002855200000000 ] - [ -0.0000638000000000, 0.0002023600000000, -0.0001356500000000 ] - [ -0.0000234300000000, 0.0000860100000000, -0.0000520400000000 ] - [ -0.0002058800000000, -0.0002770600000000, 0.0022661600000000 ] - [ 0.0005271100000000, -0.0006776100000000, 0.0004376800000000 ] - [ -0.0000861200000000, 0.0005933300000000, -0.0001867700000000 ] - [ -0.0001227700000000, 0.0005852000000000, -0.0001585800000000 ] - [ -0.0000692300000000, 0.0001561100000000, -0.0002696400000000 ] - [ -0.0000897200000000, 0.0001720700000000, -0.0002601400000000 ] - [ 0.0003043300000000, -0.0061609700000000, 0.0032273300000000 ] - [ -0.0006508900000000, 0.0001620000000000, 0.0000791000000000 ] - [ -0.0001405100000000, 0.0001551400000000, -0.0000892100000000 ] - [ -0.0001533700000000, 0.0002352200000000, -0.0000171100000000 ] - [ 0.0006344100000000, 0.0000971800000000, -0.0000557900000000 ] - [ 0.0006864400000000, 0.0002134500000000, -0.0000411000000000 ] - [ -0.0005005800000000, -0.0004189900000000, 0.0007246500000000 ] - [ -0.0002565600000000, -0.0001194000000000, 0.0006507000000000 ] - [ 0.0004206800000000, -0.0000225700000000, -0.0018478600000000 ] - [ 0.0000148400000000, 0.0000584000000000, 0.0000399500000000 ] - [ -0.0002911800000000, -0.0001676400000000, -0.0018137500000000 ] - [ 0.0000325500000000, 0.0005574400000000, 0.0000755200000000 ] - [ 0.0003783700000000, 0.0001627200000000, -0.0001592600000000 ] - [ 0.0004097300000000, 0.0001966100000000, -0.0002240400000000 ] - [ -0.0001759800000000, 0.0000861100000000, -0.0006100000000000 ] - [ -0.0000512600000000, 0.0000469000000000, -0.0006623000000000 ] - [ 0.0001969500000000, 0.0002173800000000, -0.0006699600000000 ] - [ 0.0002036400000000, -0.0002357600000000, 0.0001018500000000 ] - [ -0.0000021700000000, 0.0005762100000000, 0.0002322100000000 ] - [ 0.0000336700000000, 0.0005576600000000, 0.0002157900000000 ] - [ 0.0029558500000000, -0.0040257700000000, 0.0062058600000000 ] - [ 0.0007583500000000, -0.0003369300000000, -0.0000805400000000 ] - [ -0.0000406500000000, -0.0001477000000000, 0.0007191600000000 ] - [ 0.0003014300000000, -0.0001432300000000, -0.0000725900000000 ] - [ -0.0003418100000000, -0.0003626500000000, 0.0003406100000000 ] - [ -0.0003511400000000, -0.0005369600000000, 0.0002570900000000 ] - [ 0.0003565600000000, -0.0000148100000000, -0.0003511300000000 ] - [ 0.0003860200000000, -0.0005168700000000, -0.0001942500000000 ] - [ 0.0022669000000000, -0.0001746800000000, -0.0014469900000000 ] - [ -0.0004159200000000, -0.0004527300000000, -0.0003969300000000 ] - [ -0.0000315800000000, 0.0007117300000000, 0.0003766900000000 ] - [ 0.0001368900000000, 0.0005553600000000, 0.0003084200000000 ] - [ -0.0001426500000000, 0.0002234400000000, -0.0001523400000000 ] - [ -0.0001179200000000, 0.0002304600000000, -0.0001295500000000 ] - [ -0.0007097900000000, 0.0005377300000000, -0.0037583800000000 ] - [ -0.0000615200000000, 0.0001351200000000, 0.0001168300000000 ] - [ -0.0004231800000000, 0.0005010300000000, 0.0006940600000000 ] - [ 0.0003955500000000, 0.0001705700000000, -0.0002085500000000 ] - [ -0.0002403900000000, -0.0002044300000000, 0.0002519900000000 ] - [ -0.0001518900000000, -0.0000946500000000, 0.0001000900000000 ] - [ 0.0009753500000000, -0.0003617800000000, -0.0005713700000000 ] - [ -0.0001389900000000, -0.0005580800000000, -0.0000084800000000 ] - [ -0.0003728900000000, -0.0001009400000000, 0.0002483900000000 ] - [ -0.0003272300000000, -0.0000859600000000, 0.0002421300000000 ] - [ -0.0001321900000000, -0.0000146700000000, 0.0015824900000000 ] - [ 0.0001724500000000, -0.0000069000000000, 0.0006809700000000 ] - [ 0.0000868800000000, 0.0001577000000000, -0.0001824100000000 ] - [ 0.0001145200000000, 0.0001701600000000, -0.0001754800000000 ] - [ -0.0001012100000000, 0.0005611800000000, -0.0000743100000000 ] - [ 0.0001039800000000, 0.0005546400000000, -0.0003103600000000 ] - [ 0.0002077900000000, 0.0001535100000000, 0.0003606600000000 ] - [ 0.0002544100000000, 0.0001553900000000, 0.0004598200000000 ]- atom: 73 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ 0.0006524400000000, 0.0011629800000000, 0.0007455200000000 ] - [ -0.0002108300000000, 0.0001144900000000, 0.0002325700000000 ] - [ -0.0060693400000000, -0.0019450600000000, 0.0019913100000000 ] - [ 0.0005268000000000, 0.0002322700000000, -0.0003831300000000 ] - [ -0.0019818800000000, -0.0009288300000000, -0.0008192000000000 ] - [ -0.0000325600000000, 0.0006994600000000, -0.0004803100000000 ] - [ -0.0004007100000000, 0.0007259300000000, 0.0004166000000000 ] - [ -0.0001285500000000, 0.0003585900000000, 0.0003312700000000 ] - [ -0.0001088600000000, -0.0011629200000000, 0.0005763300000000 ] - [ -0.0004624800000000, 0.0002027900000000, 0.0007838800000000 ] - [ 0.0008239900000000, -0.0008394900000000, -0.0004719300000000 ] - [ 0.0005359200000000, 0.0000213200000000, -0.0003127900000000 ] - [ -0.0001226900000000, 0.0007036800000000, 0.0000865000000000 ] - [ 0.0000286700000000, 0.0007399000000000, 0.0000558900000000 ] - [ -0.0001221700000000, 0.0011545100000000, -0.0006553900000000 ] - [ 0.0002876600000000, 0.0003875600000000, -0.0008389400000000 ] - [ -0.0001132800000000, 0.0003929100000000, 0.0001156100000000 ] - [ -0.0000957600000000, 0.0004130300000000, 0.0001091200000000 ] - [ -0.0001856800000000, 0.0005619900000000, -0.0002396900000000 ] - [ -0.0001802500000000, 0.0005424300000000, -0.0002313700000000 ] - [ 0.0002087700000000, 0.0005198700000000, 0.0002210200000000 ] - [ 0.0002371600000000, 0.0003281900000000, 0.0003038400000000 ] - [ 0.0004579000000000, 0.0005961800000000, -0.0046149700000000 ] - [ 0.0001182300000000, 0.0004958100000000, 0.0005098800000000 ] - [ -0.0002676800000000, 0.0000211400000000, 0.0001389000000000 ] - [ -0.0000810000000000, 0.0000035800000000, -0.0000841300000000 ] - [ -0.0004260500000000, -0.0011534600000000, 0.0052531500000000 ] - [ 0.0006642700000000, -0.0003674400000000, 0.0002385300000000 ] - [ -0.0001869800000000, -0.0002324600000000, -0.0001273700000000 ] - [ -0.0004252600000000, -0.0006581600000000, 0.0001412800000000 ] - [ 0.0004368900000000, -0.0010055700000000, -0.0009156200000000 ] - [ 0.0004009100000000, -0.0006851800000000, -0.0001184700000000 ] - [ 0.0006569800000000, -0.0006721900000000, 0.0003914700000000 ] - [ 0.0007362200000000, -0.0006606300000000, 0.0003676600000000 ] - [ -0.0046811500000000, 0.0033438000000000, -0.0102910400000000 ] - [ -0.0010658200000000, -0.0001702500000000, 0.0004860900000000 ] - [ -0.0005472300000000, -0.0003473800000000, -0.0001259300000000 ] - [ -0.0004337000000000, -0.0002880400000000, -0.0001586900000000 ] - [ 0.0035732800000000, -0.0041069200000000, -0.0091396200000000 ] - [ 0.0002643300000000, -0.0003765800000000, -0.0001091400000000 ] - [ 0.0008251900000000, -0.0000328100000000, -0.0005912400000000 ] - [ 0.0008862400000000, -0.0000584600000000, -0.0005262900000000 ] - [ -0.0002424700000000, 0.0003702200000000, 0.0006461900000000 ] - [ 0.0003175800000000, 0.0000403000000000, 0.0001567800000000 ] - [ -0.0003168100000000, -0.0003633200000000, 0.0000166300000000 ] - [ -0.0002777300000000, -0.0003029300000000, 0.0000891300000000 ] - [ -0.0026330000000000, 0.0002242600000000, 0.0039392000000000 ] - [ -0.0000474500000000, -0.0008539900000000, -0.0002983300000000 ] - [ -0.0002544000000000, 0.0006949900000000, -0.0021849300000000 ] - [ -0.0007200500000000, 0.0000598000000000, -0.0002409800000000 ] - [ -0.0001198800000000, -0.0000262100000000, 0.0000387800000000 ] - [ -0.0001947200000000, -0.0000230300000000, 0.0001182000000000 ] - [ -0.0000941500000000, 0.0001271400000000, 0.0001819800000000 ] - [ 0.0002392300000000, 0.0001192600000000, -0.0000122500000000 ] - [ -0.0000073100000000, -0.0006349800000000, 0.0004007700000000 ] - [ -0.0000241100000000, -0.0006226700000000, 0.0003721100000000 ] - [ -0.0002448400000000, -0.0001890600000000, 0.0000478400000000 ] - [ -0.0001937200000000, -0.0002482000000000, -0.0001400500000000 ] - [ 0.0004339300000000, 0.0000214400000000, -0.0004406300000000 ] - [ 0.0002999700000000, -0.0001350000000000, -0.0006119600000000 ] - [ -0.0000491000000000, -0.0003850800000000, -0.0000053300000000 ] - [ -0.0000773600000000, -0.0003667900000000, -0.0000012500000000 ] - [ 0.0052981600000000, -0.0055789000000000, -0.0072950900000000 ] - [ -0.0001687500000000, 0.0001360500000000, 0.0001762400000000 ] - [ -0.0004130600000000, -0.0006408600000000, -0.0003941500000000 ] - [ -0.0004440500000000, -0.0006314200000000, -0.0003612400000000 ] - [ 0.0005571100000000, 0.0000262400000000, 0.0000707400000000 ] - [ 0.0005447000000000, -0.0000076000000000, 0.0000790400000000 ] - [ 0.0005892700000000, -0.0001898400000000, -0.0009202300000000 ] - [ -0.0000788300000000, -0.0000981500000000, -0.0001460800000000 ] - [ -0.0003865200000000, 0.0001486700000000, -0.0006028200000000 ] - [ -0.0020571000000000, -0.0009828200000000, -0.0001060500000000 ] - [ 0.0027459000000000, 0.0042420700000000, 0.0332002700000000 ] - [ 0.0001464900000000, 0.0002373600000000, 0.0001477300000000 ] - [ -0.0012523700000000, -0.0015555600000000, 0.0007270400000000 ] - [ -0.0002198700000000, 0.0001308900000000, -0.0004692600000000 ] - [ 0.0021976600000000, 0.0003091100000000, -0.0051854400000000 ] - [ 0.0002091100000000, -0.0000643800000000, -0.0002593000000000 ] - [ 0.0053748000000000, -0.0028676800000000, -0.0007120800000000 ] - [ -0.0000309900000000, -0.0002785300000000, 0.0002428500000000 ] - [ -0.0004039400000000, -0.0000700600000000, 0.0001025900000000 ] - [ -0.0003909600000000, -0.0000813600000000, 0.0000163700000000 ] - [ -0.0006733800000000, -0.0002635200000000, 0.0003028700000000 ] - [ -0.0007114800000000, -0.0003082400000000, 0.0002780700000000 ] - [ -0.0000058800000000, -0.0000450900000000, 0.0000276200000000 ] - [ -0.0000442200000000, 0.0000690400000000, -0.0000555900000000 ] - [ 0.0010609700000000, -0.0009811400000000, -0.0015411100000000 ] - [ 0.0003306700000000, -0.0005901000000000, 0.0002849900000000 ] - [ -0.0001270500000000, 0.0004996900000000, -0.0001288900000000 ] - [ -0.0000908200000000, 0.0005063300000000, -0.0001565500000000 ] - [ -0.0000934400000000, 0.0001516200000000, -0.0002547900000000 ] - [ -0.0000733100000000, 0.0001361600000000, -0.0002644000000000 ] - [ -0.0016207300000000, 0.0064452900000000, -0.0031134000000000 ] - [ -0.0006774300000000, 0.0001847100000000, 0.0000345200000000 ] - [ -0.0000919700000000, 0.0002189600000000, 0.0001083800000000 ] - [ -0.0000771800000000, 0.0001384500000000, 0.0000366300000000 ] - [ 0.0006938500000000, 0.0002503900000000, -0.0000579800000000 ] - [ 0.0006426900000000, 0.0001347200000000, -0.0000730700000000 ] - [ -0.0001270000000000, 0.0001656300000000, 0.0005569800000000 ] - [ -0.0003671800000000, -0.0001354600000000, 0.0006277700000000 ] - [ -0.0003476500000000, 0.0001410300000000, 0.0019567900000000 ] - [ 0.0000548200000000, 0.0000958000000000, 0.0000680700000000 ] - [ 0.0004881700000000, 0.0012503900000000, 0.0021278500000000 ] - [ 0.0001815200000000, 0.0005333300000000, 0.0002382800000000 ] - [ 0.0004080300000000, 0.0001886300000000, -0.0003117600000000 ] - [ 0.0003771800000000, 0.0001554300000000, -0.0002467800000000 ] - [ -0.0000257600000000, -0.0000202900000000, -0.0007396100000000 ] - [ -0.0001491100000000, 0.0000178900000000, -0.0006868900000000 ] - [ 0.0001909700000000, -0.0006454000000000, 0.0009188500000000 ] - [ 0.0001899500000000, -0.0001997800000000, 0.0001461000000000 ] - [ 0.0000390100000000, 0.0005209200000000, 0.0001898400000000 ] - [ 0.0000037600000000, 0.0005394500000000, 0.0002065200000000 ] - [ -0.0016010900000000, 0.0034857500000000, -0.0068296100000000 ] - [ 0.0006436300000000, -0.0002556500000000, -0.0004823700000000 ] - [ 0.0004390700000000, -0.0002607900000000, -0.0009510000000000 ] - [ 0.0000956600000000, -0.0002587400000000, -0.0001564300000000 ] - [ -0.0003675300000000, -0.0006735200000000, 0.0000991600000000 ] - [ -0.0003569600000000, -0.0005021100000000, 0.0001798400000000 ] - [ 0.0003507300000000, -0.0010194500000000, -0.0000913000000000 ] - [ 0.0003232800000000, -0.0005209100000000, -0.0002434100000000 ] - [ -0.0022067000000000, -0.0010421200000000, 0.0007199000000000 ] - [ 0.0004487300000000, -0.0007740300000000, -0.0003480900000000 ] - [ 0.0000731800000000, 0.0005139500000000, 0.0001831200000000 ] - [ -0.0000946800000000, 0.0006675500000000, 0.0002516100000000 ] - [ -0.0001202200000000, 0.0001982800000000, -0.0001184700000000 ] - [ -0.0001436300000000, 0.0001913500000000, -0.0001417400000000 ] - [ 0.0007899400000000, -0.0002116400000000, 0.0042743100000000 ] - [ 0.0002260000000000, 0.0001715600000000, 0.0004053900000000 ] - [ 0.0003798600000000, 0.0005918900000000, -0.0011194300000000 ] - [ -0.0004285900000000, 0.0009214400000000, -0.0002165800000000 ] - [ -0.0001567200000000, -0.0001975200000000, -0.0000238200000000 ] - [ -0.0002447600000000, -0.0003058000000000, 0.0001281800000000 ] - [ -0.0001994500000000, 0.0002167600000000, 0.0005533400000000 ] - [ 0.0009144000000000, 0.0004226000000000, -0.0000107400000000 ] - [ -0.0003246800000000, -0.0001105300000000, 0.0002263300000000 ] - [ -0.0003694000000000, -0.0001252100000000, 0.0002327900000000 ] - [ 0.0003279600000000, 0.0000730700000000, -0.0002362700000000 ] - [ 0.0000300000000000, 0.0000706300000000, 0.0006676600000000 ] - [ 0.0001173400000000, 0.0001365500000000, -0.0001567400000000 ] - [ 0.0000899800000000, 0.0001245100000000, -0.0001630500000000 ] - [ 0.0000581100000000, 0.0006619700000000, -0.0004865300000000 ] - [ -0.0001463500000000, 0.0006681400000000, -0.0002517700000000 ] - [ 0.0002686400000000, 0.0001339700000000, 0.0005404100000000 ] - [ 0.0002239400000000, 0.0001332800000000, 0.0004417900000000 ]- atom: 75 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ 0.0054913500000000, 0.0014185300000000, -0.0007124000000000 ] - [ -0.0019770700000000, 0.0003942100000000, -0.0006008100000000 ] - [ -0.0012323100000000, -0.0022544100000000, 0.0000666400000000 ] - [ -0.0010782000000000, 0.0018768800000000, -0.0004151800000000 ] - [ 0.0022932300000000, 0.0034913800000000, 0.0046224700000000 ] - [ -0.0024115200000000, 0.0005928100000000, -0.0008473400000000 ] - [ -0.0018027500000000, 0.0036395100000000, 0.0022509600000000 ] - [ -0.0029194100000000, -0.0023843700000000, -0.0006949800000000 ] - [ 0.0000286200000000, 0.0001575500000000, 0.0004596100000000 ] - [ -0.0010049600000000, -0.0002596700000000, 0.0002527900000000 ] - [ 0.0016855400000000, 0.0029185300000000, -0.0028489300000000 ] - [ -0.0007997000000000, -0.0007710000000000, -0.0006235000000000 ] - [ 0.0001314700000000, 0.0008150300000000, 0.0001450000000000 ] - [ -0.0002415200000000, 0.0004688800000000, 0.0000079700000000 ] - [ 0.0006354300000000, 0.0006688900000000, -0.0001923800000000 ] - [ -0.0002797100000000, -0.0000817300000000, -0.0005055100000000 ] - [ 0.0003257800000000, -0.0006360600000000, 0.0004430400000000 ] - [ -0.0007542600000000, 0.0009078000000000, -0.0000744700000000 ] - [ 0.0005350400000000, -0.0004396800000000, -0.0002355000000000 ] - [ -0.0008742900000000, 0.0009004100000000, -0.0004008300000000 ] - [ 0.0002842700000000, 0.0003062400000000, 0.0002520100000000 ] - [ 0.0000757800000000, 0.0001504600000000, 0.0002281000000000 ] - [ 0.0000066800000000, -0.0010715600000000, -0.0004490800000000 ] - [ -0.0005124800000000, 0.0014680500000000, 0.0000473500000000 ] - [ 0.0019109100000000, -0.0002259800000000, 0.0010054400000000 ] - [ -0.0015746900000000, 0.0003649200000000, -0.0005246600000000 ] - [ 0.0015602000000000, -0.0002908100000000, 0.0021566700000000 ] - [ -0.0012055000000000, -0.0000143300000000, -0.0004888600000000 ] - [ 0.0125228500000000, 0.0048633100000000, 0.0006480600000000 ] - [ -0.0019304400000000, -0.0003794500000000, -0.0002118000000000 ] - [ 0.0007865500000000, -0.0011603300000000, -0.0000107400000000 ] - [ -0.0000142900000000, -0.0005355700000000, -0.0002398500000000 ] - [ 0.0013315600000000, -0.0002335000000000, 0.0006071400000000 ] - [ 0.0001180300000000, -0.0011762000000000, 0.0000844000000000 ] - [ 0.0023887200000000, 0.0006728700000000, 0.0013027400000000 ] - [ -0.0019409300000000, -0.0002189300000000, 0.0002849200000000 ] - [ -0.0000754500000000, -0.0004729000000000, -0.0000347200000000 ] - [ -0.0008663800000000, -0.0004028100000000, -0.0002960600000000 ] - [ 0.0349973000000000, 0.0127452600000000, 0.0101424400000000 ] - [ -0.0015046300000000, 0.0000189900000000, -0.0003200200000000 ] - [ 0.0014590700000000, 0.0008699100000000, -0.0005175900000000 ] - [ 0.0001835100000000, -0.0005502300000000, -0.0006022800000000 ] - [ 0.0005666500000000, -0.0003726400000000, 0.0002001700000000 ] - [ -0.0002421000000000, 0.0002417900000000, -0.0000083600000000 ] - [ 0.0001435400000000, -0.0004458700000000, 0.0001645900000000 ] - [ -0.0006784100000000, -0.0003913700000000, -0.0000050400000000 ] - [ 0.0010287300000000, -0.0001722600000000, 0.0003070400000000 ] - [ -0.0016744300000000, -0.0008280400000000, -0.0006714900000000 ] - [ 0.0002514900000000, 0.0005302200000000, -0.0003269900000000 ] - [ 0.0004409200000000, -0.0008248800000000, 0.0003630900000000 ] - [ -0.0011981700000000, -0.0001954000000000, -0.0004830500000000 ] - [ 0.0005756100000000, 0.0000906600000000, 0.0005396400000000 ] - [ 0.0230454300000000, 0.0101134100000000, 0.0025078800000000 ] - [ 0.0014554600000000, 0.0000277900000000, -0.0000767600000000 ] - [ -0.0000574300000000, -0.0008344700000000, 0.0003807900000000 ] - [ 0.0000903100000000, -0.0003743600000000, 0.0003742700000000 ] - [ -0.0003637300000000, -0.0002464300000000, -0.0001388300000000 ] - [ -0.0000415500000000, -0.0001123000000000, -0.0001125200000000 ] - [ -0.0017701600000000, 0.0024876300000000, -0.0043321300000000 ] - [ 0.0010961200000000, -0.0002937500000000, -0.0004105600000000 ] - [ -0.0002749000000000, -0.0008907000000000, -0.0001777700000000 ] - [ 0.0002547700000000, 0.0002301700000000, 0.0000818700000000 ] - [ 0.0060808700000000, 0.0054386000000000, -0.0052170700000000 ] - [ 0.0006477000000000, -0.0000369800000000, 0.0003734800000000 ] - [ -0.0007119700000000, -0.0001046000000000, -0.0004441100000000 ] - [ -0.0000392100000000, -0.0007824800000000, -0.0002128300000000 ] - [ 0.0004616600000000, 0.0002666100000000, 0.0000402900000000 ] - [ 0.0006949500000000, -0.0000512500000000, 0.0001421400000000 ] - [ -0.0002578100000000, -0.0000138400000000, -0.0002944400000000 ] - [ 0.0005241000000000, 0.0000294400000000, -0.0000036100000000 ] - [ -0.0006297900000000, -0.0002097300000000, 0.0001278600000000 ] - [ 0.0000116900000000, 0.0004731300000000, 0.0003822400000000 ] - [ -0.0013298000000000, 0.0036969000000000, 0.0007997000000000 ] - [ 0.0008893800000000, -0.0000199800000000, 0.0003150100000000 ] - [ -0.0904996900000000, -0.0349554400000000, -0.0209063800000000 ] - [ 0.0008022200000000, 0.0001932500000000, -0.0001840100000000 ] - [ -0.0008667400000000, 0.0005828500000000, -0.0007643900000000 ] - [ 0.0010930900000000, -0.0003202600000000, -0.0000258400000000 ] - [ -0.0007146300000000, -0.0010582900000000, -0.0003466200000000 ] - [ 0.0005219900000000, -0.0001758700000000, 0.0001489600000000 ] - [ -0.0001810200000000, -0.0010810400000000, 0.0001446900000000 ] - [ -0.0001211900000000, 0.0005183100000000, -0.0001500300000000 ] - [ -0.0011915200000000, -0.0006090100000000, 0.0003091500000000 ] - [ -0.0003629700000000, -0.0000751600000000, 0.0003693000000000 ] - [ -0.0015068100000000, -0.0019656900000000, -0.0000862600000000 ] - [ 0.0007757300000000, 0.0001617800000000, 0.0000064900000000 ] - [ 0.0002541800000000, -0.0000258200000000, 0.0001875100000000 ] - [ 0.0006456100000000, -0.0010604500000000, 0.0005235500000000 ] - [ -0.0004976300000000, 0.0021522800000000, -0.0001907900000000 ] - [ 0.0004733900000000, 0.0002173900000000, -0.0000435600000000 ] - [ -0.0001986300000000, 0.0004005600000000, -0.0002779100000000 ] - [ 0.0000644400000000, 0.0000652300000000, -0.0002440500000000 ] - [ -0.0014392200000000, 0.0010398400000000, 0.0055802900000000 ] - [ 0.0000823900000000, 0.0000350500000000, 0.0002570500000000 ] - [ -0.0001165000000000, 0.0003245500000000, 0.0000016900000000 ] - [ -0.0000899700000000, 0.0001505000000000, 0.0000179600000000 ] - [ 0.0004741100000000, 0.0002132900000000, -0.0001115500000000 ] - [ 0.0008411800000000, 0.0002176800000000, -0.0000129200000000 ] - [ -0.0005296600000000, 0.0000071000000000, 0.0005641600000000 ] - [ -0.0000999300000000, -0.0001609400000000, 0.0006909800000000 ] - [ -0.0005159600000000, 0.0002491900000000, -0.0000501000000000 ] - [ 0.0004119900000000, 0.0001159300000000, 0.0001337000000000 ] - [ 0.0001170500000000, 0.0012320600000000, 0.0002672200000000 ] - [ 0.0002580800000000, 0.0001345100000000, 0.0001044300000000 ] - [ 0.0005764700000000, -0.0004609200000000, -0.0002420700000000 ] - [ 0.0004804900000000, 0.0007155300000000, -0.0000009600000000 ] - [ -0.0003132100000000, 0.0001112300000000, -0.0007268400000000 ] - [ 0.0000930800000000, 0.0000396300000000, -0.0006275500000000 ] - [ 0.0102932600000000, -0.0054367900000000, 0.0040249200000000 ] - [ 0.0015939400000000, -0.0001948000000000, -0.0001969700000000 ] - [ -0.0000370700000000, 0.0003915700000000, 0.0001788500000000 ] - [ 0.0001004400000000, 0.0007725600000000, 0.0002576300000000 ] - [ -0.0002228600000000, -0.0002283900000000, -0.0005815900000000 ] - [ 0.0011346500000000, -0.0002936300000000, -0.0001772500000000 ] - [ 0.0006595100000000, -0.0007219700000000, -0.0002753300000000 ] - [ 0.0013113300000000, -0.0000603600000000, 0.0007788300000000 ] - [ -0.0026823300000000, 0.0015430700000000, 0.0020218700000000 ] - [ 0.0002437200000000, -0.0007564100000000, 0.0003440100000000 ] - [ 0.0002242200000000, -0.0002838400000000, -0.0002332900000000 ] - [ 0.0004906000000000, -0.0006177100000000, -0.0001797900000000 ] - [ 0.0020242800000000, -0.0068218800000000, 0.0004276300000000 ] - [ 0.0008116000000000, -0.0004068000000000, -0.0002434700000000 ] - [ 0.0000373000000000, 0.0007246300000000, 0.0002854700000000 ] - [ 0.0000177700000000, 0.0005810800000000, 0.0002837400000000 ] - [ -0.0006291900000000, 0.0001110800000000, -0.0002979400000000 ] - [ 0.0002310600000000, 0.0002916100000000, -0.0000221700000000 ] - [ 0.0017203100000000, 0.0015649200000000, 0.0010743200000000 ] - [ 0.0012658700000000, -0.0006590200000000, 0.0003506500000000 ] - [ -0.0007841400000000, -0.0012628400000000, -0.0008124300000000 ] - [ 0.0006335900000000, 0.0007765500000000, 0.0000355000000000 ] - [ -0.0003205900000000, -0.0002090500000000, 0.0000550900000000 ] - [ -0.0000708800000000, -0.0001181000000000, 0.0001716600000000 ] - [ 0.0000576500000000, -0.0007931900000000, -0.0000318800000000 ] - [ 0.0009486000000000, 0.0003431300000000, 0.0000610200000000 ] - [ -0.0007731000000000, -0.0001162300000000, 0.0001502900000000 ] - [ 0.0000101500000000, -0.0000128300000000, 0.0003173300000000 ] - [ -0.0023200500000000, -0.0004514000000000, -0.0008388700000000 ] - [ 0.0010879400000000, 0.0000766000000000, 0.0009538500000000 ] - [ -0.0001418400000000, 0.0002869100000000, -0.0002296600000000 ] - [ 0.0003059100000000, 0.0000956900000000, -0.0001117300000000 ] - [ -0.0001066000000000, 0.0015732700000000, -0.0004876200000000 ] - [ 0.0009618700000000, 0.0004313600000000, 0.0003886500000000 ] - [ 0.0000284800000000, 0.0002226400000000, 0.0003904200000000 ] - [ 0.0004330300000000, 0.0001538000000000, 0.0005081800000000 ]- atom: 75 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ -0.0060134200000000, -0.0007333500000000, 0.0000243400000000 ] - [ 0.0015703700000000, 0.0002450400000000, 0.0000900600000000 ] - [ 0.0014421000000000, 0.0029917600000000, -0.0003293600000000 ] - [ 0.0012873000000000, -0.0011320300000000, 0.0001528600000000 ] - [ -0.0023986200000000, -0.0019822100000000, -0.0046503500000000 ] - [ 0.0024689800000000, 0.0008598800000000, 0.0007018100000000 ] - [ 0.0013993900000000, -0.0030321800000000, -0.0015442700000000 ] - [ 0.0025141200000000, 0.0029901000000000, 0.0013950600000000 ] - [ -0.0010764600000000, -0.0001546700000000, 0.0002422800000000 ] - [ -0.0000416300000000, 0.0002618800000000, 0.0004499600000000 ] - [ -0.0006122100000000, -0.0029079900000000, 0.0021440400000000 ] - [ 0.0018445700000000, 0.0007792900000000, -0.0000822300000000 ] - [ -0.0001911500000000, 0.0006375200000000, -0.0000019100000000 ] - [ 0.0001782900000000, 0.0009850100000000, 0.0001344700000000 ] - [ -0.0002253900000000, -0.0000823300000000, -0.0005012300000000 ] - [ 0.0006919200000000, 0.0006677000000000, -0.0001878700000000 ] - [ -0.0005403700000000, 0.0013798400000000, -0.0001813600000000 ] - [ 0.0005467100000000, -0.0001579200000000, 0.0003383500000000 ] - [ -0.0009167800000000, 0.0014538400000000, -0.0002817200000000 ] - [ 0.0005000300000000, 0.0001242900000000, -0.0001144200000000 ] - [ 0.0001258200000000, 0.0003317300000000, 0.0002613000000000 ] - [ 0.0003310700000000, 0.0004875500000000, 0.0002841800000000 ] - [ 0.0003768000000000, 0.0020937400000000, 0.0009672000000000 ] - [ 0.0008902600000000, -0.0004473300000000, 0.0004671800000000 ] - [ -0.0022148200000000, 0.0003015100000000, -0.0011952000000000 ] - [ 0.0012726600000000, -0.0002871400000000, 0.0003391600000000 ] - [ -0.0005781200000000, -0.0004110900000000, -0.0017911300000000 ] - [ 0.0021856800000000, -0.0006963300000000, 0.0008342100000000 ] - [ -0.0133224100000000, -0.0065151800000000, -0.0003859500000000 ] - [ 0.0011599100000000, -0.0010106000000000, 0.0004702500000000 ] - [ -0.0000102900000000, -0.0002337100000000, -0.0002497900000000 ] - [ 0.0007886500000000, -0.0008582600000000, -0.0000212500000000 ] - [ 0.0000792800000000, -0.0011398000000000, 0.0001138900000000 ] - [ 0.0012862000000000, -0.0001924800000000, 0.0006350900000000 ] - [ -0.0041191800000000, -0.0008179400000000, -0.0002513300000000 ] - [ 0.0002170400000000, 0.0000602000000000, 0.0007678600000000 ] - [ -0.0009009900000000, -0.0002404500000000, -0.0003053900000000 ] - [ -0.0001096800000000, -0.0003080600000000, -0.0000436600000000 ] - [ -0.0325010900000000, -0.0122480900000000, -0.0094183200000000 ] - [ 0.0021013100000000, -0.0007024100000000, 0.0001802700000000 ] - [ 0.0002762500000000, -0.0010424000000000, -0.0005382600000000 ] - [ 0.0015428500000000, 0.0003880200000000, -0.0004579300000000 ] - [ -0.0002635000000000, 0.0004509300000000, -0.0000082600000000 ] - [ 0.0005434300000000, -0.0001637800000000, 0.0001996300000000 ] - [ -0.0007405700000000, -0.0002447400000000, -0.0000140200000000 ] - [ 0.0000838600000000, -0.0002968500000000, 0.0001554000000000 ] - [ -0.0024360000000000, -0.0011988500000000, -0.0010361000000000 ] - [ 0.0002690700000000, -0.0005440100000000, -0.0000560300000000 ] - [ -0.0013686900000000, -0.0004639200000000, 0.0001594000000000 ] - [ -0.0015561100000000, 0.0008890000000000, -0.0005244800000000 ] - [ 0.0008553800000000, 0.0001649600000000, 0.0007377900000000 ] - [ -0.0009108100000000, -0.0001247400000000, -0.0002841800000000 ] - [ -0.0233828200000000, -0.0100125200000000, -0.0025918800000000 ] - [ -0.0012188300000000, 0.0003449300000000, 0.0000529900000000 ] - [ 0.0000261400000000, -0.0003871800000000, 0.0003689300000000 ] - [ -0.0001184100000000, -0.0008481600000000, 0.0003764600000000 ] - [ -0.0000252200000000, -0.0001869000000000, -0.0001078500000000 ] - [ -0.0003483200000000, -0.0003217900000000, -0.0001342600000000 ] - [ 0.0024325100000000, -0.0027270900000000, 0.0030214800000000 ] - [ -0.0004686600000000, 0.0000366700000000, -0.0008670300000000 ] - [ 0.0001433300000000, 0.0001939400000000, 0.0001802200000000 ] - [ -0.0003818700000000, -0.0009311100000000, -0.0000798900000000 ] - [ -0.0062113600000000, -0.0050652600000000, 0.0054853400000000 ] - [ -0.0008540700000000, 0.0003347700000000, -0.0000365300000000 ] - [ -0.0001390200000000, -0.0011590400000000, -0.0002745600000000 ] - [ -0.0008156900000000, -0.0004887700000000, -0.0005089100000000 ] - [ 0.0006592900000000, -0.0001987000000000, 0.0001233500000000 ] - [ 0.0004242600000000, 0.0001170600000000, 0.0000206800000000 ] - [ 0.0005947900000000, -0.0000181600000000, 0.0000375900000000 ] - [ -0.0001872200000000, -0.0000610700000000, -0.0002533400000000 ] - [ -0.0001527200000000, 0.0005603300000000, 0.0003429700000000 ] - [ -0.0007957800000000, -0.0001228200000000, 0.0000882100000000 ] - [ 0.0015765100000000, -0.0032893900000000, -0.0005340600000000 ] - [ -0.0006238700000000, 0.0004431900000000, -0.0000465500000000 ] - [ 0.0886051300000000, 0.0343372600000000, 0.0192000400000000 ] - [ -0.0012790900000000, 0.0000989700000000, -0.0007195100000000 ] - [ 0.0015636000000000, -0.0007949100000000, 0.0002865600000000 ] - [ -0.0003956400000000, 0.0001099600000000, -0.0004482200000000 ] - [ 0.0008465100000000, 0.0003611100000000, 0.0003437700000000 ] - [ -0.0003927800000000, -0.0005200300000000, -0.0001504700000000 ] - [ -0.0005945100000000, 0.0009357800000000, -0.0001230900000000 ] - [ -0.0006466300000000, -0.0006628000000000, 0.0001748200000000 ] - [ -0.0002114300000000, 0.0000160900000000, 0.0002519800000000 ] - [ -0.0010368000000000, -0.0005208800000000, 0.0001944600000000 ] - [ 0.0014184200000000, 0.0021401000000000, -0.0000241800000000 ] - [ -0.0008435900000000, -0.0000103600000000, -0.0001129000000000 ] - [ 0.0006013700000000, -0.0012419300000000, 0.0005326700000000 ] - [ 0.0002103600000000, -0.0002075400000000, 0.0001977800000000 ] - [ 0.0002984400000000, -0.0010605500000000, -0.0001230400000000 ] - [ -0.0006856800000000, 0.0008698800000000, -0.0002712300000000 ] - [ 0.0000396900000000, -0.0000902300000000, -0.0002442300000000 ] - [ -0.0002260000000000, 0.0002434100000000, -0.0002785200000000 ] - [ 0.0000798000000000, -0.0006905900000000, -0.0054729000000000 ] - [ -0.0014112600000000, 0.0003144900000000, -0.0001425200000000 ] - [ -0.0001159800000000, 0.0000508800000000, 0.0000190200000000 ] - [ -0.0001412900000000, 0.0002246900000000, 0.0000030900000000 ] - [ 0.0008562900000000, 0.0001373600000000, -0.0000016200000000 ] - [ 0.0004889800000000, 0.0001317300000000, -0.0001005000000000 ] - [ -0.0000960300000000, -0.0002626000000000, 0.0007143700000000 ] - [ -0.0005249600000000, -0.0000945300000000, 0.0005875700000000 ] - [ 0.0005850600000000, -0.0000976300000000, 0.0001580600000000 ] - [ -0.0003428600000000, 0.0000370100000000, -0.0000253500000000 ] - [ 0.0000938100000000, -0.0001416000000000, 0.0000479800000000 ] - [ -0.0000448400000000, 0.0009561300000000, 0.0002103900000000 ] - [ 0.0002075600000000, 0.0008091500000000, -0.0002304300000000 ] - [ 0.0003108500000000, -0.0003678300000000, -0.0004698400000000 ] - [ 0.0001120100000000, -0.0000442000000000, -0.0006242700000000 ] - [ -0.0002935600000000, 0.0000268100000000, -0.0007233700000000 ] - [ -0.0097258100000000, 0.0049210800000000, -0.0037005200000000 ] - [ -0.0012082500000000, -0.0002406600000000, 0.0004481100000000 ] - [ 0.0000725800000000, 0.0007069100000000, 0.0002418200000000 ] - [ -0.0000622800000000, 0.0003252800000000, 0.0001636200000000 ] - [ 0.0016250500000000, -0.0003681100000000, 0.0000205300000000 ] - [ 0.0002669900000000, -0.0003004200000000, -0.0003862500000000 ] - [ -0.0002663700000000, 0.0003200300000000, 0.0000414400000000 ] - [ -0.0009126900000000, -0.0003390200000000, -0.0010116100000000 ] - [ 0.0020034500000000, -0.0025508700000000, -0.0015423700000000 ] - [ -0.0009497800000000, -0.0002827300000000, 0.0000937400000000 ] - [ 0.0004828000000000, -0.0007533900000000, -0.0002048900000000 ] - [ 0.0002170800000000, -0.0004194400000000, -0.0002581400000000 ] - [ -0.0020023100000000, 0.0056609100000000, -0.0011911800000000 ] - [ -0.0007784400000000, -0.0008145100000000, -0.0005072500000000 ] - [ 0.0000028000000000, 0.0005002600000000, 0.0002728200000000 ] - [ 0.0000240900000000, 0.0006431000000000, 0.0002748800000000 ] - [ 0.0003677200000000, 0.0003145700000000, 0.0000292400000000 ] - [ -0.0004929900000000, 0.0001298200000000, -0.0002464000000000 ] - [ -0.0015546300000000, -0.0012476800000000, -0.0005464500000000 ] - [ -0.0011055100000000, 0.0009702700000000, 0.0001717500000000 ] - [ 0.0007502200000000, 0.0023680900000000, 0.0004026300000000 ] - [ -0.0006688400000000, 0.0003225500000000, -0.0004548700000000 ] - [ -0.0000731100000000, -0.0001904800000000, 0.0001736700000000 ] - [ -0.0003238800000000, -0.0002819400000000, 0.0000565900000000 ] - [ 0.0007165300000000, 0.0006530900000000, 0.0000105500000000 ] - [ -0.0001748600000000, -0.0004831200000000, -0.0000825400000000 ] - [ 0.0000766100000000, -0.0000922100000000, 0.0003237600000000 ] - [ -0.0007058400000000, -0.0001986100000000, 0.0001565200000000 ] - [ 0.0025198500000000, 0.0005099800000000, 0.0021950200000000 ] - [ -0.0008848600000000, -0.0000105200000000, 0.0003981800000000 ] - [ 0.0003499200000000, 0.0000106000000000, -0.0001080400000000 ] - [ -0.0000981800000000, 0.0002006100000000, -0.0002257400000000 ] - [ 0.0000729100000000, -0.0003588900000000, -0.0000642100000000 ] - [ -0.0010017600000000, 0.0007911200000000, -0.0009428500000000 ] - [ 0.0004483500000000, 0.0000687800000000, 0.0005130200000000 ] - [ 0.0000445400000000, 0.0001370700000000, 0.0003956600000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000958200000000, 0.0083242300000000, -0.0002805100000000 ] - [ -0.0006453100000000, 0.0015664300000000, -0.0003776800000000 ] - [ -0.0018660900000000, -0.0007614600000000, 0.0001054600000000 ] - [ 0.0018018300000000, 0.0000755800000000, 0.0002879700000000 ] - [ 0.0021659000000000, 0.0072229600000000, -0.0014659500000000 ] - [ -0.0004247500000000, 0.0020179000000000, -0.0001690200000000 ] - [ 0.0024790300000000, 0.0010301600000000, -0.0002893300000000 ] - [ -0.0021471400000000, 0.0002415400000000, -0.0002043500000000 ] - [ -0.0002888400000000, -0.0015350500000000, 0.0005961400000000 ] - [ -0.0006800600000000, -0.0006874900000000, 0.0003070300000000 ] - [ 0.0025614600000000, 0.0014602400000000, 0.0020033400000000 ] - [ -0.0001002000000000, 0.0007564700000000, -0.0005106300000000 ] - [ 0.0000556800000000, -0.0005054000000000, 0.0000895200000000 ] - [ -0.0002238100000000, -0.0002334600000000, 0.0000370800000000 ] - [ 0.0007017700000000, -0.0011206100000000, -0.0004117900000000 ] - [ -0.0000949000000000, -0.0004271200000000, -0.0004193500000000 ] - [ -0.0007714000000000, -0.0012672600000000, 0.0003225200000000 ] - [ 0.0003205300000000, -0.0001654900000000, 0.0002672300000000 ] - [ -0.0007144200000000, -0.0015051600000000, -0.0008694400000000 ] - [ 0.0001007400000000, 0.0001704800000000, -0.0002118000000000 ] - [ 0.0002319500000000, -0.0008114300000000, 0.0002612900000000 ] - [ 0.0000741400000000, -0.0006703800000000, 0.0002050100000000 ] - [ -0.0012393700000000, -0.0003957500000000, -0.0012829400000000 ] - [ 0.0007660100000000, 0.0005226600000000, 0.0004064400000000 ] - [ -0.0003211600000000, 0.0015230600000000, -0.0004663200000000 ] - [ -0.0001938000000000, 0.0005718400000000, -0.0000871200000000 ] - [ 0.0003545300000000, 0.0018474000000000, 0.0008811700000000 ] - [ 0.0005955900000000, 0.0006292300000000, 0.0002251200000000 ] - [ 0.0035846300000000, 0.0205236900000000, 0.0001073000000000 ] - [ -0.0003851900000000, -0.0001333800000000, 0.0001110600000000 ] - [ 0.0001250200000000, -0.0020544400000000, -0.0001730000000000 ] - [ 0.0005105700000000, -0.0013043300000000, -0.0001157400000000 ] - [ 0.0012771500000000, -0.0015799000000000, 0.0005237900000000 ] - [ 0.0002958000000000, -0.0010388600000000, 0.0001997300000000 ] - [ 0.0006166100000000, -0.0045124000000000, 0.0008108400000000 ] - [ -0.0010708600000000, -0.0000933400000000, 0.0004705700000000 ] - [ -0.0004762500000000, -0.0015157700000000, -0.0001336200000000 ] - [ -0.0005076800000000, -0.0009243200000000, -0.0001509900000000 ] - [ 0.0128524300000000, 0.0167192900000000, 0.0049292700000000 ] - [ 0.0003990800000000, 0.0007605300000000, -0.0000478100000000 ] - [ 0.0021041000000000, -0.0024384400000000, 0.0000735100000000 ] - [ 0.0004844000000000, -0.0003957100000000, -0.0005738000000000 ] - [ -0.0000087300000000, -0.0010226200000000, 0.0000554600000000 ] - [ 0.0002392900000000, -0.0005635300000000, 0.0001382400000000 ] - [ -0.0003091500000000, -0.0017091100000000, 0.0000586600000000 ] - [ -0.0002842500000000, -0.0009352400000000, 0.0000518700000000 ] - [ -0.0002783300000000, -0.0012576600000000, -0.0001060100000000 ] - [ -0.0009118200000000, -0.0006817100000000, -0.0004187300000000 ] - [ 0.0001830800000000, -0.0003257800000000, -0.0001332200000000 ] - [ -0.0009551200000000, -0.0004368200000000, -0.0004681400000000 ] - [ -0.0010062700000000, 0.0001461000000000, 0.0000268300000000 ] - [ 0.0000931400000000, -0.0001747300000000, 0.0002986700000000 ] - [ 0.0110256300000000, -0.0015811100000000, 0.0008658100000000 ] - [ -0.0002297000000000, -0.0004717200000000, -0.0000006400000000 ] - [ -0.0002508900000000, 0.0000138200000000, 0.0002737300000000 ] - [ 0.0002025800000000, -0.0001864700000000, 0.0003964100000000 ] - [ -0.0001804900000000, 0.0005295500000000, -0.0001423000000000 ] - [ -0.0001306200000000, 0.0001668900000000, -0.0001351300000000 ] - [ 0.0034942300000000, 0.0025088600000000, -0.0087403300000000 ] - [ 0.0003814000000000, -0.0004275600000000, -0.0006336900000000 ] - [ -0.0006199100000000, 0.0002926000000000, 0.0002199100000000 ] - [ 0.0001861200000000, -0.0000380800000000, 0.0000545800000000 ] - [ 0.0053214800000000, 0.0005170800000000, -0.0031676400000000 ] - [ -0.0002729400000000, -0.0004171900000000, 0.0001319000000000 ] - [ -0.0000401400000000, 0.0002082500000000, -0.0000345500000000 ] - [ -0.0005344500000000, -0.0006802400000000, -0.0004329100000000 ] - [ 0.0007202100000000, 0.0007315900000000, 0.0001621100000000 ] - [ 0.0005296700000000, 0.0003525000000000, 0.0000587000000000 ] - [ 0.0002037100000000, 0.0005933100000000, -0.0001190400000000 ] - [ 0.0002250000000000, 0.0001849200000000, -0.0001075000000000 ] - [ -0.0007007200000000, 0.0005275200000000, 0.0001488700000000 ] - [ 0.0000135200000000, 0.0004911600000000, 0.0003788100000000 ] - [ 0.0030625200000000, 0.0069218400000000, 0.0027023100000000 ] - [ 0.0000317400000000, 0.0000312800000000, 0.0001211800000000 ] - [ -0.0346896600000000, -0.0642224600000000, -0.0051354200000000 ] - [ -0.0001915300000000, -0.0002735000000000, -0.0004251700000000 ] - [ 0.0003748200000000, -0.0001485500000000, -0.0001137600000000 ] - [ 0.0002871200000000, -0.0002963800000000, -0.0002579500000000 ] - [ -0.0006214100000000, 0.0004772400000000, 0.0006695000000000 ] - [ 0.0002101100000000, -0.0003226600000000, 0.0000470200000000 ] - [ -0.0012759900000000, 0.0001938700000000, -0.0003359300000000 ] - [ 0.0001255500000000, 0.0000051700000000, -0.0000336200000000 ] - [ -0.0009839800000000, 0.0003181100000000, -0.0002639600000000 ] - [ -0.0005456400000000, -0.0002016100000000, 0.0003281800000000 ] - [ -0.0030169500000000, 0.0054954900000000, -0.0007218000000000 ] - [ 0.0002246400000000, -0.0000380500000000, -0.0000577100000000 ] - [ 0.0005178100000000, -0.0001037400000000, 0.0003684000000000 ] - [ 0.0002627400000000, -0.0003501600000000, 0.0001578300000000 ] - [ 0.0013964500000000, 0.0022859900000000, 0.0000045100000000 ] - [ -0.0003795100000000, 0.0005217700000000, -0.0001945100000000 ] - [ 0.0001345500000000, 0.0008556700000000, -0.0002255100000000 ] - [ -0.0001508200000000, 0.0004670300000000, -0.0002617400000000 ] - [ 0.0005791800000000, -0.0025972300000000, 0.0033392500000000 ] - [ -0.0006414800000000, -0.0003466200000000, 0.0000455000000000 ] - [ -0.0001022700000000, 0.0007320600000000, -0.0000213300000000 ] - [ -0.0002618000000000, 0.0006757800000000, -0.0000497700000000 ] - [ 0.0006803100000000, 0.0008505100000000, -0.0000319800000000 ] - [ 0.0006891500000000, 0.0004922100000000, -0.0000507500000000 ] - [ -0.0001917800000000, 0.0004492000000000, 0.0006032900000000 ] - [ -0.0003213000000000, 0.0001619100000000, 0.0006336900000000 ] - [ 0.0000091200000000, 0.0012005200000000, 0.0000828600000000 ] - [ 0.0000843400000000, 0.0002631700000000, 0.0000661200000000 ] - [ 0.0005701100000000, 0.0013098800000000, 0.0002705100000000 ] - [ -0.0001544000000000, 0.0008555800000000, 0.0002215800000000 ] - [ -0.0000766400000000, 0.0002875900000000, -0.0003514200000000 ] - [ 0.0009806300000000, 0.0003151300000000, 0.0000938800000000 ] - [ -0.0001792600000000, 0.0006078000000000, -0.0006953300000000 ] - [ -0.0001092800000000, 0.0003571100000000, -0.0006803600000000 ] - [ -0.0035991000000000, -0.0024254100000000, -0.0010567400000000 ] - [ 0.0007594000000000, -0.0008845400000000, -0.0001079400000000 ] - [ -0.0001801100000000, 0.0011074800000000, 0.0001946900000000 ] - [ 0.0001633400000000, 0.0009836600000000, 0.0002808500000000 ] - [ 0.0006184600000000, 0.0007740100000000, -0.0011072700000000 ] - [ 0.0007345300000000, -0.0002565300000000, -0.0002801200000000 ] - [ 0.0002606700000000, -0.0016104100000000, -0.0000274300000000 ] - [ 0.0002365400000000, -0.0011017800000000, 0.0002731800000000 ] - [ 0.0017907100000000, 0.0028141700000000, 0.0077791000000000 ] - [ -0.0003294900000000, -0.0008678400000000, 0.0002408800000000 ] - [ 0.0004649800000000, 0.0001078800000000, -0.0001216100000000 ] - [ 0.0003295800000000, -0.0001617700000000, -0.0002199300000000 ] - [ -0.0070475500000000, 0.0042896300000000, -0.0020175300000000 ] - [ 0.0004192700000000, -0.0009298000000000, -0.0003163500000000 ] - [ 0.0000319000000000, 0.0010809300000000, 0.0003069500000000 ] - [ -0.0001160300000000, 0.0010596300000000, 0.0002482900000000 ] - [ -0.0000357700000000, 0.0012711100000000, -0.0001189800000000 ] - [ -0.0000699600000000, 0.0004315200000000, -0.0001297400000000 ] - [ 0.0016589200000000, -0.0002932500000000, 0.0007913600000000 ] - [ -0.0006327300000000, -0.0002386600000000, 0.0002887200000000 ] - [ -0.0003972200000000, 0.0001432800000000, -0.0002128500000000 ] - [ 0.0002669500000000, 0.0002335600000000, -0.0000894900000000 ] - [ -0.0002334100000000, 0.0004551400000000, 0.0001214700000000 ] - [ -0.0001817000000000, 0.0001811000000000, 0.0001395700000000 ] - [ -0.0000092700000000, 0.0008800400000000, -0.0001452100000000 ] - [ 0.0007856300000000, 0.0002548300000000, 0.0000387200000000 ] - [ -0.0003931800000000, 0.0005435800000000, 0.0002891200000000 ] - [ -0.0002768700000000, 0.0001249100000000, 0.0002719900000000 ] - [ -0.0003982400000000, -0.0023165400000000, 0.0005359900000000 ] - [ 0.0001319600000000, -0.0003697200000000, 0.0006751900000000 ] - [ 0.0000346000000000, 0.0007691500000000, -0.0002252000000000 ] - [ 0.0000537800000000, 0.0004512300000000, -0.0001864900000000 ] - [ 0.0004116300000000, -0.0012420900000000, -0.0000482300000000 ] - [ -0.0002890900000000, 0.0000122200000000, -0.0004509000000000 ] - [ 0.0001622300000000, 0.0007855900000000, 0.0004242400000000 ] - [ 0.0002300300000000, 0.0004714000000000, 0.0004531500000000 ]- atom: 75 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003217100000000, -0.0076865700000000, -0.0002449400000000 ] - [ 0.0002406000000000, -0.0009270000000000, -0.0001338800000000 ] - [ 0.0020726600000000, 0.0015184200000000, -0.0003651100000000 ] - [ -0.0015853100000000, 0.0006765200000000, -0.0005497400000000 ] - [ -0.0021413400000000, -0.0057412600000000, 0.0013533900000000 ] - [ 0.0004905000000000, -0.0005603300000000, 0.0000265100000000 ] - [ -0.0028978200000000, -0.0004574100000000, 0.0009796500000000 ] - [ 0.0017379100000000, 0.0003371800000000, 0.0008959300000000 ] - [ -0.0007581500000000, 0.0015402600000000, 0.0001075700000000 ] - [ -0.0003682500000000, 0.0006940000000000, 0.0003946500000000 ] - [ -0.0015207400000000, -0.0014767900000000, -0.0027077200000000 ] - [ 0.0011489000000000, -0.0007564400000000, -0.0001913800000000 ] - [ -0.0001196200000000, 0.0019618500000000, 0.0000531200000000 ] - [ 0.0001632700000000, 0.0016890300000000, 0.0001061100000000 ] - [ -0.0002901100000000, 0.0017110400000000, -0.0002832000000000 ] - [ 0.0005032200000000, 0.0010189500000000, -0.0002745400000000 ] - [ 0.0005657500000000, 0.0020185500000000, -0.0000610500000000 ] - [ -0.0005331600000000, 0.0009130500000000, -0.0000046700000000 ] - [ 0.0003420600000000, 0.0025336500000000, 0.0003579300000000 ] - [ -0.0004783800000000, 0.0008511900000000, -0.0003050100000000 ] - [ 0.0001744300000000, 0.0014511200000000, 0.0002501500000000 ] - [ 0.0003351300000000, 0.0013101500000000, 0.0003075600000000 ] - [ 0.0016115600000000, 0.0014253500000000, 0.0017888800000000 ] - [ -0.0003895200000000, 0.0005061300000000, 0.0001088500000000 ] - [ 0.0000157500000000, -0.0014619300000000, 0.0002849000000000 ] - [ -0.0001081400000000, -0.0004977100000000, -0.0000973600000000 ] - [ 0.0006270300000000, -0.0025502400000000, -0.0005326200000000 ] - [ 0.0003805500000000, -0.0013358500000000, 0.0001191100000000 ] - [ -0.0051391800000000, -0.0238996400000000, 0.0001741700000000 ] - [ -0.0003853600000000, -0.0012614600000000, 0.0001465600000000 ] - [ 0.0006469900000000, 0.0006597200000000, -0.0000881100000000 ] - [ 0.0002645500000000, -0.0000864600000000, -0.0001456200000000 ] - [ 0.0001251500000000, 0.0002086400000000, 0.0001935700000000 ] - [ 0.0011116500000000, -0.0003336000000000, 0.0005182600000000 ] - [ -0.0023283300000000, 0.0043354300000000, 0.0002447200000000 ] - [ -0.0006531500000000, -0.0000603700000000, 0.0005817900000000 ] - [ -0.0005003900000000, 0.0008063600000000, -0.0002087800000000 ] - [ -0.0004687500000000, 0.0002140400000000, -0.0001905900000000 ] - [ -0.0117484200000000, -0.0173002300000000, -0.0048694400000000 ] - [ 0.0001905400000000, -0.0014420700000000, -0.0000925000000000 ] - [ -0.0003869700000000, 0.0022875400000000, -0.0011389500000000 ] - [ 0.0012436700000000, 0.0002294500000000, -0.0004853700000000 ] - [ 0.0003082200000000, 0.0011021800000000, 0.0001343400000000 ] - [ 0.0000619700000000, 0.0006438200000000, 0.0000519700000000 ] - [ -0.0002882000000000, 0.0010253600000000, 0.0000889900000000 ] - [ -0.0003123800000000, 0.0002474700000000, 0.0000978800000000 ] - [ -0.0011254500000000, -0.0001033000000000, -0.0006225900000000 ] - [ -0.0004947100000000, -0.0006854800000000, -0.0003081800000000 ] - [ -0.0013042800000000, 0.0003878400000000, -0.0000313900000000 ] - [ -0.0001576600000000, 0.0004951600000000, 0.0003034100000000 ] - [ 0.0006741100000000, -0.0001750900000000, 0.0002294500000000 ] - [ -0.0004290400000000, 0.0001451100000000, -0.0000418500000000 ] - [ -0.0107832200000000, 0.0020303900000000, -0.0008826100000000 ] - [ 0.0004594800000000, 0.0008480800000000, -0.0000197300000000 ] - [ 0.0002227400000000, -0.0012366800000000, 0.0004765800000000 ] - [ -0.0002336300000000, -0.0010351000000000, 0.0003529000000000 ] - [ -0.0002105300000000, -0.0009636600000000, -0.0001053500000000 ] - [ -0.0002600600000000, -0.0006015400000000, -0.0001125300000000 ] - [ -0.0029043000000000, -0.0027768800000000, 0.0075435200000000 ] - [ 0.0002441000000000, 0.0001733900000000, -0.0006448200000000 ] - [ 0.0004966000000000, -0.0009906800000000, -0.0002206600000000 ] - [ -0.0003145800000000, -0.0006568600000000, -0.0000531100000000 ] - [ -0.0055097800000000, -0.0002493200000000, 0.0034970400000000 ] - [ 0.0000671500000000, 0.0007117800000000, 0.0002054700000000 ] - [ -0.0008159700000000, -0.0014776100000000, -0.0006895300000000 ] - [ -0.0003201300000000, -0.0005863000000000, -0.0002886200000000 ] - [ 0.0003979000000000, -0.0006661500000000, 0.0000003200000000 ] - [ 0.0005900500000000, -0.0002856200000000, 0.0001045500000000 ] - [ 0.0001327000000000, -0.0006254100000000, -0.0001381100000000 ] - [ 0.0001111100000000, -0.0002173000000000, -0.0001498700000000 ] - [ -0.0000847900000000, -0.0001790300000000, 0.0003208000000000 ] - [ -0.0007969700000000, -0.0001410400000000, 0.0000917100000000 ] - [ -0.0027441900000000, -0.0064025600000000, -0.0023917900000000 ] - [ 0.0002333600000000, 0.0003898500000000, 0.0001470100000000 ] - [ 0.0346045200000000, 0.0662122400000000, 0.0040637100000000 ] - [ -0.0002863100000000, 0.0005656500000000, -0.0004781500000000 ] - [ 0.0003222800000000, -0.0000690200000000, -0.0003590500000000 ] - [ 0.0004098200000000, 0.0000844700000000, -0.0002166100000000 ] - [ 0.0007462200000000, -0.0011749700000000, -0.0006668300000000 ] - [ -0.0000819300000000, -0.0003754700000000, -0.0000492100000000 ] - [ 0.0005111700000000, -0.0003308600000000, 0.0003608400000000 ] - [ -0.0008983800000000, -0.0001427900000000, 0.0000554900000000 ] - [ -0.0004150500000000, -0.0009129500000000, 0.0008322100000000 ] - [ -0.0008548800000000, -0.0003910400000000, 0.0002350000000000 ] - [ 0.0029852900000000, -0.0054160700000000, 0.0006221600000000 ] - [ -0.0002923500000000, 0.0001939000000000, -0.0000501600000000 ] - [ 0.0003383900000000, -0.0011659100000000, 0.0003535900000000 ] - [ 0.0005930300000000, -0.0009190600000000, 0.0005623200000000 ] - [ -0.0016229800000000, -0.0012023000000000, -0.0003214500000000 ] - [ 0.0001677400000000, 0.0005706400000000, -0.0001206400000000 ] - [ -0.0002975300000000, -0.0005478100000000, -0.0002978600000000 ] - [ -0.0000097500000000, -0.0001576000000000, -0.0002613100000000 ] - [ -0.0019225700000000, 0.0029237700000000, -0.0032688900000000 ] - [ -0.0006869000000000, 0.0006957200000000, 0.0000683500000000 ] - [ -0.0001287100000000, -0.0003571800000000, 0.0000420000000000 ] - [ 0.0000293300000000, -0.0003010100000000, 0.0000700100000000 ] - [ 0.0006492900000000, -0.0005018600000000, -0.0000823100000000 ] - [ 0.0006402900000000, -0.0001428000000000, -0.0000631600000000 ] - [ -0.0004328800000000, -0.0007045200000000, 0.0006743400000000 ] - [ -0.0003043600000000, -0.0004176400000000, 0.0006443000000000 ] - [ 0.0000582300000000, -0.0010439000000000, 0.0000246200000000 ] - [ -0.0000162700000000, -0.0001110500000000, 0.0000416500000000 ] - [ -0.0003542700000000, -0.0002187700000000, 0.0000438200000000 ] - [ 0.0003659200000000, 0.0002339900000000, 0.0000934300000000 ] - [ 0.0008640300000000, 0.0000656400000000, -0.0001197000000000 ] - [ -0.0001979800000000, 0.0000371600000000, -0.0005660700000000 ] - [ -0.0000211700000000, -0.0005417600000000, -0.0006553700000000 ] - [ -0.0000921200000000, -0.0002907900000000, -0.0006705100000000 ] - [ 0.0039673400000000, 0.0020298400000000, 0.0012959700000000 ] - [ -0.0003656200000000, 0.0004510100000000, 0.0003545900000000 ] - [ 0.0002177600000000, -0.0000097700000000, 0.0002262900000000 ] - [ -0.0001276300000000, 0.0001148200000000, 0.0001399300000000 ] - [ 0.0007829200000000, -0.0013664600000000, 0.0005377400000000 ] - [ 0.0006660200000000, -0.0003380200000000, -0.0002836100000000 ] - [ 0.0001318600000000, 0.0012146600000000, -0.0002036800000000 ] - [ 0.0001624300000000, 0.0007043700000000, -0.0005003800000000 ] - [ -0.0025262000000000, -0.0038857800000000, -0.0074309300000000 ] - [ -0.0003775400000000, -0.0001683100000000, 0.0001965300000000 ] - [ 0.0002428800000000, -0.0011451000000000, -0.0003156500000000 ] - [ 0.0003775200000000, -0.0008758900000000, -0.0002182200000000 ] - [ 0.0069694300000000, -0.0054433800000000, 0.0012421500000000 ] - [ -0.0003883100000000, -0.0002937400000000, -0.0004343300000000 ] - [ 0.0000094700000000, 0.0001431600000000, 0.0002516500000000 ] - [ 0.0001564700000000, 0.0001641900000000, 0.0003098900000000 ] - [ -0.0002275500000000, -0.0008533800000000, -0.0001503700000000 ] - [ -0.0001921000000000, -0.0000083400000000, -0.0001393100000000 ] - [ -0.0014977300000000, 0.0005942400000000, -0.0002689300000000 ] - [ 0.0007970200000000, 0.0005433500000000, 0.0002370900000000 ] - [ 0.0003596600000000, 0.0009439000000000, -0.0002091300000000 ] - [ -0.0003035500000000, 0.0008630900000000, -0.0003313700000000 ] - [ -0.0001621700000000, -0.0008559700000000, 0.0001067300000000 ] - [ -0.0002133000000000, -0.0005819000000000, 0.0000887100000000 ] - [ 0.0007795700000000, -0.0010186200000000, 0.0001225800000000 ] - [ -0.0000136100000000, -0.0003966000000000, -0.0000608000000000 ] - [ -0.0003030900000000, -0.0007543200000000, 0.0001841700000000 ] - [ -0.0004194500000000, -0.0003346200000000, 0.0002018000000000 ] - [ 0.0006001100000000, 0.0023903400000000, 0.0008221800000000 ] - [ 0.0000699800000000, 0.0004363400000000, 0.0006756700000000 ] - [ 0.0001718600000000, -0.0004734800000000, -0.0001125100000000 ] - [ 0.0001528800000000, -0.0001548000000000, -0.0001515200000000 ] - [ -0.0004538200000000, 0.0024746900000000, -0.0005107200000000 ] - [ 0.0002463100000000, 0.0012135500000000, -0.0001095400000000 ] - [ 0.0003156400000000, -0.0004953700000000, 0.0004789800000000 ] - [ 0.0002467300000000, -0.0001808200000000, 0.0004497100000000 ]- atom: 75 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0021948800000000, 0.0016341300000000, 0.0020250500000000 ] - [ -0.0002439300000000, 0.0002531300000000, -0.0005477700000000 ] - [ 0.0007338400000000, 0.0013767000000000, 0.0001929300000000 ] - [ 0.0000007100000000, 0.0004551900000000, 0.0004245800000000 ] - [ 0.0036882700000000, -0.0015148000000000, -0.0009924400000000 ] - [ -0.0001700400000000, 0.0006886800000000, 0.0000511900000000 ] - [ 0.0008562500000000, -0.0004716100000000, 0.0005625200000000 ] - [ -0.0002048700000000, 0.0004293800000000, 0.0009719300000000 ] - [ -0.0005291300000000, 0.0000869000000000, 0.0003708600000000 ] - [ -0.0005304400000000, 0.0000231700000000, 0.0003136500000000 ] - [ -0.0013526700000000, 0.0018044900000000, -0.0013402100000000 ] - [ 0.0004763000000000, -0.0001161600000000, -0.0008714100000000 ] - [ -0.0000178500000000, 0.0007373900000000, 0.0000764600000000 ] - [ -0.0000476500000000, 0.0007142500000000, 0.0000925800000000 ] - [ 0.0002932600000000, 0.0001478000000000, -0.0003376400000000 ] - [ 0.0001664200000000, 0.0003064700000000, -0.0003117000000000 ] - [ 0.0000865000000000, 0.0006830300000000, 0.0001533500000000 ] - [ -0.0001749700000000, 0.0004162600000000, 0.0001498400000000 ] - [ -0.0002902800000000, -0.0002520300000000, -0.0002547200000000 ] - [ -0.0002469500000000, 0.0005493900000000, -0.0003055800000000 ] - [ 0.0001904700000000, 0.0003490100000000, 0.0002500800000000 ] - [ 0.0002059900000000, 0.0003005000000000, 0.0002311600000000 ] - [ -0.0002699400000000, -0.0002792500000000, -0.0001025200000000 ] - [ 0.0003054200000000, 0.0006317300000000, -0.0002501200000000 ] - [ 0.0017023100000000, -0.0005176500000000, -0.0048806700000000 ] - [ -0.0003594600000000, 0.0000536200000000, -0.0001601100000000 ] - [ 0.0025677700000000, -0.0005530200000000, -0.0046366200000000 ] - [ -0.0001410800000000, -0.0003153900000000, 0.0000428400000000 ] - [ -0.0034839200000000, -0.0029260500000000, 0.0095771900000000 ] - [ -0.0003752300000000, -0.0007073700000000, 0.0001134200000000 ] - [ 0.0003489400000000, -0.0007408300000000, -0.0000889200000000 ] - [ 0.0003978100000000, -0.0006961100000000, -0.0001320900000000 ] - [ 0.0008264500000000, -0.0006516800000000, 0.0001227900000000 ] - [ 0.0005829900000000, -0.0007643900000000, 0.0003572000000000 ] - [ -0.0008009600000000, -0.0001888600000000, 0.0015647700000000 ] - [ -0.0008125500000000, -0.0000859200000000, 0.0005558900000000 ] - [ -0.0004499000000000, -0.0003742000000000, -0.0001926200000000 ] - [ -0.0005173100000000, -0.0003461000000000, -0.0001775100000000 ] - [ 0.0012764400000000, 0.0013216400000000, 0.0096122000000000 ] - [ 0.0006378800000000, -0.0002682300000000, 0.0000032000000000 ] - [ 0.0008691500000000, -0.0000685300000000, -0.0002636800000000 ] - [ 0.0008739000000000, -0.0000691700000000, -0.0005439000000000 ] - [ 0.0001530600000000, 0.0000499700000000, 0.0000462600000000 ] - [ 0.0001302500000000, 0.0000739800000000, 0.0000898500000000 ] - [ -0.0002786600000000, -0.0003660700000000, 0.0001140700000000 ] - [ -0.0003154500000000, -0.0003320700000000, 0.0000719200000000 ] - [ -0.0004699900000000, -0.0005835900000000, -0.0010333600000000 ] - [ -0.0008221300000000, -0.0006783000000000, -0.0003846800000000 ] - [ -0.0008021800000000, 0.0001541700000000, 0.0008285400000000 ] - [ 0.0005393800000000, -0.0010694900000000, 0.0000988100000000 ] - [ -0.0005300800000000, 0.0001265500000000, 0.0010414100000000 ] - [ -0.0000754800000000, 0.0000310200000000, 0.0001147400000000 ] - [ -0.0033369200000000, -0.0015473100000000, -0.0052889000000000 ] - [ 0.0000811300000000, 0.0002070100000000, -0.0000573000000000 ] - [ -0.0000033600000000, -0.0006400500000000, 0.0003471300000000 ] - [ -0.0000264500000000, -0.0006224500000000, 0.0003758300000000 ] - [ -0.0002000200000000, -0.0002020600000000, -0.0001527100000000 ] - [ -0.0001912700000000, -0.0002285500000000, -0.0001258100000000 ] - [ -0.0029494900000000, -0.0070477500000000, 0.0065231500000000 ] - [ 0.0003723400000000, -0.0001284800000000, -0.0006315900000000 ] - [ -0.0001021800000000, -0.0003106900000000, -0.0000105000000000 ] - [ -0.0000424800000000, -0.0003662500000000, -0.0000398800000000 ] - [ -0.0063726200000000, -0.0039442200000000, 0.0020784400000000 ] - [ -0.0000127100000000, 0.0001352000000000, -0.0000653300000000 ] - [ -0.0008190300000000, -0.0006263400000000, 0.0004859200000000 ] - [ -0.0003726000000000, -0.0006622300000000, -0.0003471800000000 ] - [ 0.0005392700000000, 0.0000625700000000, 0.0001417600000000 ] - [ 0.0005765200000000, 0.0000179600000000, 0.0000864400000000 ] - [ 0.0001456800000000, 0.0000084900000000, -0.0000448800000000 ] - [ 0.0001947100000000, -0.0000249000000000, -0.0001211400000000 ] - [ -0.0004405300000000, 0.0001407400000000, 0.0003258400000000 ] - [ -0.0003107000000000, 0.0002265800000000, 0.0002706300000000 ] - [ 0.0009878400000000, 0.0017375800000000, -0.0010852500000000 ] - [ 0.0000239500000000, 0.0002501200000000, 0.0001288200000000 ] - [ 0.0035122300000000, 0.0046004800000000, -0.0311508800000000 ] - [ -0.0002485100000000, 0.0001584300000000, -0.0004480100000000 ] - [ 0.0000200400000000, 0.0001595700000000, 0.0007148200000000 ] - [ 0.0005125500000000, -0.0001727300000000, -0.0001677100000000 ] - [ -0.0000814300000000, 0.0001360700000000, 0.0000498300000000 ] - [ 0.0000896700000000, -0.0003432800000000, -0.0000130300000000 ] - [ -0.0002989900000000, -0.0001801800000000, -0.0002039600000000 ] - [ -0.0004689100000000, -0.0000994200000000, 0.0000371200000000 ] - [ -0.0006225400000000, -0.0005592300000000, 0.0002861700000000 ] - [ -0.0006800200000000, -0.0002763200000000, 0.0003278100000000 ] - [ 0.0001256300000000, 0.0004290400000000, -0.0014530600000000 ] - [ -0.0000450500000000, 0.0000618400000000, -0.0000409800000000 ] - [ 0.0004025000000000, -0.0006548000000000, 0.0005474900000000 ] - [ 0.0004491700000000, -0.0007073600000000, 0.0003542000000000 ] - [ -0.0000018100000000, 0.0004130000000000, -0.0008665800000000 ] - [ -0.0001280000000000, 0.0005741200000000, -0.0001661800000000 ] - [ -0.0000692400000000, 0.0001766000000000, -0.0003124500000000 ] - [ -0.0000741600000000, 0.0001448400000000, -0.0002598400000000 ] - [ 0.0038266100000000, 0.0019635200000000, 0.0085812100000000 ] - [ -0.0006500400000000, 0.0001554100000000, 0.0002916500000000 ] - [ -0.0001057600000000, 0.0001844000000000, 0.0000038300000000 ] - [ -0.0001346800000000, 0.0002014100000000, 0.0000039900000000 ] - [ 0.0006505500000000, 0.0001865800000000, -0.0000630600000000 ] - [ 0.0006738700000000, 0.0001682200000000, -0.0000545000000000 ] - [ -0.0003166800000000, -0.0001442900000000, 0.0006254300000000 ] - [ -0.0003067100000000, -0.0001344800000000, 0.0006313000000000 ] - [ 0.0000315600000000, 0.0001852600000000, -0.0000329000000000 ] - [ 0.0000252900000000, 0.0000723500000000, 0.0000484100000000 ] - [ 0.0002195500000000, 0.0005641400000000, 0.0000214500000000 ] - [ 0.0000712400000000, 0.0005502300000000, 0.0001447000000000 ] - [ 0.0003801800000000, 0.0000742700000000, -0.0000226800000000 ] - [ 0.0006086700000000, 0.0003434100000000, -0.0002012100000000 ] - [ -0.0001125900000000, 0.0000347600000000, -0.0006671400000000 ] - [ -0.0000887500000000, 0.0000308100000000, -0.0006725300000000 ] - [ 0.0010431100000000, -0.0002704800000000, -0.0025412200000000 ] - [ 0.0000063300000000, -0.0003299300000000, 0.0001532100000000 ] - [ 0.0000126000000000, 0.0005154100000000, 0.0002407600000000 ] - [ 0.0000434500000000, 0.0005947000000000, 0.0002133800000000 ] - [ 0.0007486200000000, -0.0006777600000000, -0.0003026800000000 ] - [ 0.0007122300000000, -0.0003012500000000, -0.0002739500000000 ] - [ -0.0001198600000000, -0.0002287100000000, 0.0009336800000000 ] - [ 0.0011213700000000, 0.0002731200000000, -0.0001377500000000 ] - [ 0.0017778000000000, 0.0052776800000000, 0.0045656000000000 ] - [ -0.0003221800000000, -0.0005196600000000, 0.0002567900000000 ] - [ 0.0003582700000000, -0.0004923800000000, -0.0002056300000000 ] - [ 0.0003515100000000, -0.0005289200000000, -0.0002070600000000 ] - [ 0.0004913900000000, -0.0006547700000000, -0.0029495500000000 ] - [ -0.0000720300000000, -0.0005841200000000, -0.0003997100000000 ] - [ 0.0000249300000000, 0.0006011600000000, 0.0002901900000000 ] - [ 0.0000206700000000, 0.0006053800000000, 0.0002765400000000 ] - [ -0.0001530100000000, 0.0002347100000000, -0.0002219100000000 ] - [ -0.0001171500000000, 0.0002097700000000, -0.0001257500000000 ] - [ 0.0004818700000000, 0.0002912400000000, -0.0003750100000000 ] - [ -0.0009720500000000, 0.0007721900000000, -0.0000536500000000 ] - [ -0.0006349900000000, 0.0004162600000000, 0.0020383000000000 ] - [ 0.0000750400000000, 0.0005848200000000, -0.0001690700000000 ] - [ -0.0002128800000000, -0.0001893200000000, 0.0001329200000000 ] - [ -0.0001848500000000, -0.0002077100000000, 0.0001186700000000 ] - [ 0.0003789100000000, -0.0000810600000000, -0.0001178600000000 ] - [ 0.0002617600000000, -0.0001714600000000, -0.0000257300000000 ] - [ -0.0004159600000000, -0.0000844900000000, 0.0002921100000000 ] - [ -0.0003157000000000, -0.0001018700000000, 0.0002383600000000 ] - [ -0.0011154800000000, 0.0001194400000000, 0.0044542800000000 ] - [ 0.0002586000000000, 0.0000547100000000, 0.0007171400000000 ] - [ 0.0000881300000000, 0.0001333500000000, -0.0001706300000000 ] - [ 0.0001178200000000, 0.0001380600000000, -0.0001654000000000 ] - [ -0.0008134600000000, 0.0004949000000000, 0.0017800100000000 ] - [ 0.0002910900000000, 0.0006207400000000, -0.0002307700000000 ] - [ 0.0002332200000000, 0.0001517600000000, 0.0004384700000000 ] - [ 0.0002426200000000, 0.0001412100000000, 0.0004537000000000 ]- atom: 75 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ 0.0016313100000000, -0.0009473500000000, -0.0028021900000000 ] - [ -0.0001626400000000, 0.0003867400000000, 0.0000328200000000 ] - [ -0.0005208100000000, -0.0006266100000000, -0.0004634200000000 ] - [ 0.0002080600000000, 0.0002887600000000, -0.0006894700000000 ] - [ -0.0037997000000000, 0.0030285600000000, 0.0010216300000000 ] - [ 0.0002412400000000, 0.0007690600000000, -0.0001913600000000 ] - [ -0.0012571200000000, 0.0010528800000000, 0.0001112200000000 ] - [ -0.0002112500000000, 0.0001560600000000, -0.0002848800000000 ] - [ -0.0005199100000000, -0.0000849800000000, 0.0003287600000000 ] - [ -0.0005163200000000, -0.0000198500000000, 0.0003880600000000 ] - [ 0.0023905800000000, -0.0017997600000000, 0.0006604700000000 ] - [ 0.0005788200000000, 0.0001277600000000, 0.0001726300000000 ] - [ -0.0000445100000000, 0.0007148500000000, 0.0000645900000000 ] - [ -0.0000145500000000, 0.0007389100000000, 0.0000492100000000 ] - [ 0.0001145500000000, 0.0004363400000000, -0.0003559200000000 ] - [ 0.0002448300000000, 0.0002805700000000, -0.0003824400000000 ] - [ -0.0002986100000000, 0.0000658500000000, 0.0001129300000000 ] - [ -0.0000325500000000, 0.0003291400000000, 0.0001135100000000 ] - [ -0.0000876500000000, 0.0012766800000000, -0.0002677500000000 ] - [ -0.0001280500000000, 0.0004721600000000, -0.0002114300000000 ] - [ 0.0002168000000000, 0.0002870400000000, 0.0002620500000000 ] - [ 0.0002015600000000, 0.0003357000000000, 0.0002806000000000 ] - [ 0.0006451600000000, 0.0013015300000000, 0.0006263400000000 ] - [ 0.0000773500000000, 0.0003833800000000, 0.0007677000000000 ] - [ -0.0020052100000000, 0.0006109100000000, 0.0046910500000000 ] - [ 0.0000611400000000, 0.0000209500000000, -0.0000261900000000 ] - [ -0.0016060700000000, -0.0001630800000000, 0.0049660000000000 ] - [ 0.0011294800000000, -0.0003923400000000, 0.0002963500000000 ] - [ 0.0027078700000000, 0.0015595400000000, -0.0093547500000000 ] - [ -0.0003923800000000, -0.0006852700000000, 0.0001439300000000 ] - [ 0.0004249300000000, -0.0006520900000000, -0.0001726300000000 ] - [ 0.0003777500000000, -0.0006987200000000, -0.0001289800000000 ] - [ 0.0005768500000000, -0.0007196100000000, 0.0005923100000000 ] - [ 0.0008240200000000, -0.0006075400000000, 0.0003586900000000 ] - [ -0.0009317600000000, 0.0000420900000000, -0.0005148400000000 ] - [ -0.0009087900000000, -0.0000711300000000, 0.0004964600000000 ] - [ -0.0005284500000000, -0.0003380200000000, -0.0001443400000000 ] - [ -0.0004586200000000, -0.0003660600000000, -0.0001588500000000 ] - [ -0.0007864200000000, -0.0020376800000000, -0.0098334300000000 ] - [ -0.0000408200000000, -0.0004109600000000, -0.0001408200000000 ] - [ 0.0008591500000000, -0.0001065000000000, -0.0007932600000000 ] - [ 0.0008534200000000, -0.0000956200000000, -0.0005151400000000 ] - [ 0.0001449300000000, 0.0000257600000000, 0.0001451600000000 ] - [ 0.0001703000000000, 0.0000006500000000, 0.0001017400000000 ] - [ -0.0003181800000000, -0.0003249400000000, 0.0000341900000000 ] - [ -0.0002790200000000, -0.0003569300000000, 0.0000777800000000 ] - [ -0.0009419100000000, -0.0008003200000000, 0.0003041200000000 ] - [ -0.0005812200000000, -0.0006940100000000, -0.0003411200000000 ] - [ -0.0003134900000000, -0.0000872300000000, -0.0009904400000000 ] - [ -0.0016714900000000, 0.0011464700000000, -0.0002621400000000 ] - [ 0.0001998900000000, -0.0001635400000000, -0.0007809800000000 ] - [ -0.0002614700000000, -0.0000633200000000, 0.0001419300000000 ] - [ 0.0036701500000000, 0.0019447200000000, 0.0052502500000000 ] - [ 0.0001449700000000, 0.0001655900000000, 0.0000377600000000 ] - [ -0.0000265300000000, -0.0005814800000000, 0.0004012200000000 ] - [ -0.0000030300000000, -0.0006004300000000, 0.0003725400000000 ] - [ -0.0001905700000000, -0.0002322800000000, -0.0000958200000000 ] - [ -0.0002005500000000, -0.0002062700000000, -0.0001227900000000 ] - [ 0.0035400800000000, 0.0066657100000000, -0.0077242500000000 ] - [ 0.0002507700000000, -0.0001275700000000, -0.0006484600000000 ] - [ -0.0000262400000000, -0.0003839400000000, 0.0000143600000000 ] - [ -0.0000846800000000, -0.0003302200000000, 0.0000411100000000 ] - [ 0.0062268800000000, 0.0042790700000000, -0.0017292800000000 ] - [ -0.0001947900000000, 0.0001585800000000, 0.0004026100000000 ] - [ -0.0000377900000000, -0.0006479000000000, -0.0012082600000000 ] - [ -0.0004840100000000, -0.0006056000000000, -0.0003760200000000 ] - [ 0.0005796000000000, 0.0000026600000000, 0.0000209200000000 ] - [ 0.0005416500000000, 0.0000478900000000, 0.0000759100000000 ] - [ 0.0001917600000000, -0.0000380800000000, -0.0002126100000000 ] - [ 0.0001401900000000, -0.0000060700000000, -0.0001372000000000 ] - [ -0.0003437300000000, 0.0002137700000000, 0.0001439200000000 ] - [ -0.0004748200000000, 0.0001239600000000, 0.0001983500000000 ] - [ -0.0007243200000000, -0.0013426200000000, 0.0013401900000000 ] - [ 0.0002377700000000, 0.0001721600000000, 0.0001381200000000 ] - [ -0.0036830300000000, -0.0042843800000000, 0.0304652100000000 ] - [ -0.0002324600000000, 0.0001305000000000, -0.0004559300000000 ] - [ 0.0006818000000000, -0.0003656200000000, -0.0011902500000000 ] - [ 0.0001806400000000, -0.0000382200000000, -0.0003089600000000 ] - [ 0.0002130900000000, -0.0008284200000000, -0.0000573700000000 ] - [ 0.0000361400000000, -0.0003539800000000, 0.0000096900000000 ] - [ -0.0004745200000000, 0.0000439900000000, 0.0002233000000000 ] - [ -0.0003011200000000, -0.0000418500000000, -0.0000173300000000 ] - [ -0.0007755800000000, -0.0000340400000000, 0.0002733700000000 ] - [ -0.0007208200000000, -0.0003181700000000, 0.0002346300000000 ] - [ -0.0002022200000000, -0.0002443400000000, 0.0013441600000000 ] - [ -0.0000234000000000, 0.0000920300000000, -0.0000681100000000 ] - [ 0.0004545600000000, -0.0006123000000000, 0.0001731700000000 ] - [ 0.0004058400000000, -0.0005578100000000, 0.0003667600000000 ] - [ -0.0002061500000000, 0.0006846800000000, 0.0005520800000000 ] - [ -0.0000867200000000, 0.0005172900000000, -0.0001497500000000 ] - [ -0.0000921100000000, 0.0001317300000000, -0.0002115500000000 ] - [ -0.0000885300000000, 0.0001636900000000, -0.0002643900000000 ] - [ -0.0050661600000000, -0.0015867000000000, -0.0083680500000000 ] - [ -0.0006821500000000, 0.0001908700000000, -0.0001804700000000 ] - [ -0.0001262100000000, 0.0001899600000000, 0.0000156200000000 ] - [ -0.0000971900000000, 0.0001734800000000, 0.0000152800000000 ] - [ 0.0006791800000000, 0.0001618700000000, -0.0000510600000000 ] - [ 0.0006547400000000, 0.0001798800000000, -0.0000603300000000 ] - [ -0.0003079300000000, -0.0001110000000000, 0.0006527100000000 ] - [ -0.0003189200000000, -0.0001205300000000, 0.0006461200000000 ] - [ 0.0000384500000000, -0.0000331200000000, 0.0001401800000000 ] - [ 0.0000418400000000, 0.0000811500000000, 0.0000586700000000 ] - [ -0.0000080300000000, 0.0005252500000000, 0.0002925700000000 ] - [ 0.0001410200000000, 0.0005427500000000, 0.0001685500000000 ] - [ 0.0004060600000000, 0.0002773000000000, -0.0004484400000000 ] - [ 0.0001764400000000, 0.0000051300000000, -0.0002687300000000 ] - [ -0.0000875800000000, 0.0000305800000000, -0.0006833800000000 ] - [ -0.0001126900000000, 0.0000346200000000, -0.0006781600000000 ] - [ -0.0007126400000000, -0.0001410900000000, 0.0027663800000000 ] - [ 0.0003874400000000, -0.0001086400000000, 0.0000893200000000 ] - [ 0.0000242700000000, 0.0005820100000000, 0.0001803400000000 ] - [ -0.0000067500000000, 0.0005023400000000, 0.0002078500000000 ] - [ 0.0006530700000000, 0.0000854500000000, -0.0002562900000000 ] - [ 0.0006870900000000, -0.0002918600000000, -0.0002907000000000 ] - [ 0.0005196300000000, -0.0001779400000000, -0.0011596700000000 ] - [ -0.0007357600000000, -0.0006825500000000, -0.0000890200000000 ] - [ -0.0025132500000000, -0.0063866400000000, -0.0041437100000000 ] - [ -0.0003864800000000, -0.0005191300000000, 0.0001800300000000 ] - [ 0.0003501500000000, -0.0005452800000000, -0.0002332000000000 ] - [ 0.0003560200000000, -0.0005079000000000, -0.0002316300000000 ] - [ -0.0004302500000000, -0.0005954000000000, 0.0022063900000000 ] - [ 0.0001013600000000, -0.0006402800000000, -0.0003502900000000 ] - [ 0.0000160000000000, 0.0006224300000000, 0.0002680100000000 ] - [ 0.0000205400000000, 0.0006184800000000, 0.0002819000000000 ] - [ -0.0001078600000000, 0.0001900700000000, -0.0000479700000000 ] - [ -0.0001460000000000, 0.0002121200000000, -0.0001450100000000 ] - [ -0.0003279500000000, 0.0000092800000000, 0.0008943900000000 ] - [ 0.0011214600000000, -0.0004582000000000, 0.0005677900000000 ] - [ 0.0005992900000000, 0.0006971000000000, -0.0024543300000000 ] - [ -0.0001126000000000, 0.0005113500000000, -0.0002542800000000 ] - [ -0.0001824600000000, -0.0002114500000000, 0.0000953700000000 ] - [ -0.0002115800000000, -0.0001936600000000, 0.0001089600000000 ] - [ 0.0003943200000000, -0.0000598400000000, 0.0000954100000000 ] - [ 0.0005094600000000, 0.0000310000000000, 0.0000031400000000 ] - [ -0.0002798600000000, -0.0001272400000000, 0.0001822800000000 ] - [ -0.0003817800000000, -0.0001093600000000, 0.0002353900000000 ] - [ 0.0013286300000000, -0.0000591200000000, -0.0031207100000000 ] - [ -0.0000600200000000, 0.0000088700000000, 0.0006315300000000 ] - [ 0.0001183600000000, 0.0001619100000000, -0.0001684200000000 ] - [ 0.0000871700000000, 0.0001574200000000, -0.0001734900000000 ] - [ 0.0007663200000000, 0.0007152300000000, -0.0023417900000000 ] - [ -0.0003346400000000, 0.0006014100000000, -0.0003330700000000 ] - [ 0.0002448700000000, 0.0001378000000000, 0.0004633800000000 ] - [ 0.0002344100000000, 0.0001484400000000, 0.0004478700000000 ]- atom: 77 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0013162900000000, -0.0027222300000000, 0.0019091900000000 ] - [ -0.0027893100000000, 0.0027550000000000, -0.0012673300000000 ] - [ 0.0016064700000000, -0.0010758700000000, -0.0035130700000000 ] - [ -0.0016012200000000, 0.0004500500000000, -0.0007220100000000 ] - [ 0.0005356500000000, -0.0036812100000000, -0.0039275600000000 ] - [ -0.0014610500000000, 0.0016009100000000, -0.0002013400000000 ] - [ 0.0003578300000000, 0.0011708200000000, 0.0003702900000000 ] - [ -0.0008053400000000, -0.0002035400000000, 0.0002013100000000 ] - [ -0.0005611100000000, 0.0021082700000000, 0.0009668600000000 ] - [ -0.0014710100000000, -0.0010255700000000, -0.0001632400000000 ] - [ 0.0010900300000000, 0.0015657500000000, -0.0000942300000000 ] - [ -0.0003268000000000, -0.0004690200000000, -0.0005822700000000 ] - [ 0.0004644100000000, 0.0005595600000000, 0.0001975200000000 ] - [ -0.0004803600000000, 0.0009767400000000, -0.0000701000000000 ] - [ -0.0000649500000000, 0.0026823600000000, -0.0011372400000000 ] - [ -0.0007264900000000, -0.0007854300000000, -0.0002437200000000 ] - [ 0.0000065200000000, 0.0003480100000000, 0.0001327800000000 ] - [ -0.0002714900000000, 0.0005545700000000, 0.0001020000000000 ] - [ -0.0000409700000000, 0.0004067100000000, -0.0001875100000000 ] - [ -0.0004009200000000, 0.0007445600000000, -0.0003272200000000 ] - [ 0.0005650800000000, -0.0001223200000000, 0.0003629800000000 ] - [ -0.0002652900000000, 0.0007169500000000, 0.0001571800000000 ] - [ 0.0058049700000000, -0.0010743200000000, 0.0012487400000000 ] - [ -0.0029207300000000, 0.0010274300000000, -0.0005325900000000 ] - [ 0.0005332000000000, -0.0011763700000000, -0.0001475500000000 ] - [ -0.0009040300000000, 0.0005034300000000, -0.0001653800000000 ] - [ 0.0145575200000000, -0.0092203600000000, 0.0035091100000000 ] - [ -0.0011241700000000, -0.0006914100000000, -0.0001880800000000 ] - [ 0.0004148600000000, -0.0011112600000000, 0.0004970200000000 ] - [ -0.0010246900000000, -0.0002682600000000, -0.0001732100000000 ] - [ 0.0020226300000000, -0.0013530800000000, 0.0006345600000000 ] - [ -0.0006373900000000, -0.0004322500000000, -0.0004840900000000 ] - [ 0.0011599800000000, -0.0005518400000000, 0.0004518900000000 ] - [ 0.0003180200000000, -0.0006831300000000, 0.0002600500000000 ] - [ 0.0014846900000000, -0.0004123600000000, 0.0013131600000000 ] - [ -0.0024235100000000, -0.0003659700000000, -0.0000145600000000 ] - [ -0.0000119700000000, 0.0000774200000000, -0.0000624600000000 ] - [ -0.0009219600000000, -0.0005119100000000, -0.0002720900000000 ] - [ 0.0017765500000000, 0.0003439700000000, 0.0021244700000000 ] - [ -0.0012226800000000, -0.0007404300000000, -0.0005578700000000 ] - [ 0.0012852600000000, 0.0000679100000000, -0.0003964300000000 ] - [ 0.0004769700000000, -0.0000706300000000, -0.0006360500000000 ] - [ 0.0029832600000000, -0.0012121000000000, 0.0006587800000000 ] - [ -0.0009213600000000, 0.0002708400000000, -0.0001053000000000 ] - [ 0.0001477600000000, 0.0000264900000000, 0.0002209400000000 ] - [ -0.0006974100000000, -0.0005045300000000, -0.0000479500000000 ] - [ 0.0383392400000000, -0.0195824000000000, -0.0010931100000000 ] - [ -0.0028573600000000, -0.0009116500000000, -0.0007477600000000 ] - [ 0.0151690600000000, -0.0060645700000000, 0.0084639800000000 ] - [ 0.0008433700000000, 0.0002278500000000, -0.0003148300000000 ] - [ -0.0007594700000000, 0.0000795100000000, 0.0000010800000000 ] - [ 0.0002170700000000, -0.0000648900000000, 0.0002328800000000 ] - [ 0.0001679500000000, 0.0009588400000000, 0.0001250400000000 ] - [ 0.0002772000000000, -0.0003143800000000, 0.0002081600000000 ] - [ -0.0001279900000000, -0.0006023100000000, 0.0003224300000000 ] - [ 0.0001070300000000, -0.0006881800000000, 0.0004250600000000 ] - [ -0.0004051600000000, -0.0007866000000000, -0.0001158400000000 ] - [ 0.0000210000000000, 0.0001315600000000, -0.0000873600000000 ] - [ -0.0004736200000000, 0.0001624600000000, -0.0005969200000000 ] - [ 0.0007409500000000, -0.0003222200000000, -0.0005393300000000 ] - [ -0.0002486000000000, -0.0004801900000000, -0.0000556400000000 ] - [ 0.0000984500000000, -0.0003120800000000, 0.0000442200000000 ] - [ -0.0028346700000000, -0.0003728100000000, 0.0004429000000000 ] - [ 0.0006276100000000, 0.0003935400000000, 0.0003662300000000 ] - [ -0.0005386400000000, -0.0004264100000000, -0.0003549100000000 ] - [ -0.0002968200000000, -0.0008163600000000, -0.0003544300000000 ] - [ 0.0005414400000000, -0.0000991500000000, 0.0000735100000000 ] - [ 0.0006117900000000, 0.0000757800000000, 0.0000969800000000 ] - [ -0.0014498900000000, -0.0028476100000000, -0.0003871700000000 ] - [ 0.0010397200000000, 0.0002454200000000, 0.0000763900000000 ] - [ 0.0011390500000000, -0.0015295600000000, 0.0004435000000000 ] - [ 0.0016704700000000, 0.0017453500000000, 0.0010659800000000 ] - [ -0.0021831100000000, 0.0006243300000000, -0.0024069600000000 ] - [ 0.0011595900000000, 0.0001668200000000, 0.0005520600000000 ] - [ -0.0014507800000000, 0.0001735000000000, -0.0011160100000000 ] - [ 0.0005055100000000, 0.0000832300000000, -0.0000809200000000 ] - [ -0.0890476100000000, 0.0426110900000000, -0.0070886200000000 ] - [ 0.0015274400000000, -0.0001545400000000, -0.0000925100000000 ] - [ 0.0023260500000000, -0.0042889800000000, 0.0074202600000000 ] - [ 0.0008119500000000, -0.0001907700000000, 0.0000251700000000 ] - [ -0.0004333700000000, -0.0003386000000000, -0.0000530400000000 ] - [ -0.0002522200000000, 0.0000458800000000, 0.0000543400000000 ] - [ -0.0009421200000000, -0.0004293000000000, 0.0002271900000000 ] - [ -0.0005090800000000, -0.0002692400000000, 0.0003343600000000 ] - [ -0.0004749200000000, 0.0000619500000000, -0.0001995500000000 ] - [ 0.0003318100000000, 0.0000124300000000, 0.0000458200000000 ] - [ 0.0008409600000000, 0.0050947600000000, 0.0028134900000000 ] - [ 0.0011382400000000, -0.0009894300000000, 0.0004323200000000 ] - [ -0.0001686300000000, 0.0007275500000000, -0.0002052400000000 ] - [ -0.0000031500000000, 0.0003344100000000, -0.0001021200000000 ] - [ -0.0000785400000000, 0.0000490300000000, -0.0002610900000000 ] - [ -0.0000613300000000, 0.0001810300000000, -0.0002534700000000 ] - [ -0.0009101400000000, -0.0060915500000000, -0.0038980800000000 ] - [ 0.0000290700000000, 0.0003397800000000, 0.0002342100000000 ] - [ -0.0003086100000000, 0.0006123300000000, -0.0001223600000000 ] - [ 0.0002989400000000, -0.0001909100000000, 0.0001883100000000 ] - [ 0.0004018900000000, -0.0001145800000000, -0.0001494300000000 ] - [ 0.0008918200000000, 0.0003150900000000, 0.0000077500000000 ] - [ -0.0012684200000000, -0.0001064200000000, 0.0003813900000000 ] - [ 0.0001782500000000, -0.0001491600000000, 0.0007917300000000 ] - [ -0.0013056000000000, -0.0005222300000000, -0.0004296100000000 ] - [ 0.0007646700000000, 0.0002576400000000, 0.0002443300000000 ] - [ -0.0001800100000000, 0.0022112600000000, -0.0011129700000000 ] - [ 0.0008363800000000, 0.0001714300000000, 0.0004754800000000 ] - [ 0.0003044200000000, -0.0001180300000000, -0.0002097300000000 ] - [ 0.0005306100000000, 0.0002970200000000, -0.0002063500000000 ] - [ -0.0006510100000000, -0.0000276800000000, -0.0007601800000000 ] - [ 0.0002752700000000, -0.0000166400000000, -0.0006081600000000 ] - [ 0.0001109600000000, -0.0008293800000000, -0.0003140600000000 ] - [ 0.0006116100000000, 0.0000180400000000, 0.0002688900000000 ] - [ -0.0001229600000000, 0.0005613100000000, 0.0001991400000000 ] - [ 0.0001538200000000, 0.0004681900000000, 0.0002260700000000 ] - [ 0.0023682800000000, -0.0031987700000000, -0.0053468900000000 ] - [ 0.0014581800000000, -0.0001860900000000, 0.0000512600000000 ] - [ -0.0001729000000000, -0.0017689000000000, 0.0001570800000000 ] - [ 0.0007928900000000, 0.0001485100000000, -0.0000020200000000 ] - [ -0.0005828800000000, 0.0000655800000000, -0.0000479000000000 ] - [ -0.0000070100000000, -0.0010484000000000, 0.0003283900000000 ] - [ -0.0003422900000000, 0.0003277700000000, -0.0005093800000000 ] - [ 0.0008114600000000, -0.0007405700000000, -0.0001215800000000 ] - [ 0.0000391400000000, -0.0001737200000000, -0.0002488600000000 ] - [ 0.0009477800000000, -0.0005729200000000, 0.0004681300000000 ] - [ -0.0001598000000000, 0.0012161500000000, 0.0003064200000000 ] - [ 0.0004194200000000, 0.0003080900000000, 0.0003294100000000 ] - [ -0.0003582800000000, 0.0001256200000000, -0.0002195200000000 ] - [ 0.0000720000000000, 0.0002146300000000, -0.0000584300000000 ] - [ 0.0005194400000000, -0.0008106500000000, -0.0007333500000000 ] - [ 0.0011873600000000, 0.0003878900000000, 0.0010781200000000 ] - [ 0.0119957500000000, 0.0043373500000000, 0.0006222800000000 ] - [ 0.0015712900000000, 0.0002861800000000, -0.0003250400000000 ] - [ -0.0001684200000000, -0.0008550200000000, 0.0000675300000000 ] - [ -0.0000411500000000, 0.0001760300000000, 0.0001631400000000 ] - [ 0.0008573400000000, -0.0006991600000000, 0.0002958700000000 ] - [ 0.0010576200000000, 0.0004150700000000, 0.0003102700000000 ] - [ -0.0005969800000000, -0.0001910600000000, 0.0001916600000000 ] - [ -0.0001244600000000, -0.0000982500000000, 0.0002755500000000 ] - [ -0.0012190500000000, 0.0034047200000000, 0.0002009100000000 ] - [ 0.0009646000000000, -0.0000682800000000, 0.0007529800000000 ] - [ -0.0000694300000000, 0.0000121100000000, -0.0001982500000000 ] - [ 0.0002700000000000, 0.0001765900000000, -0.0001290800000000 ] - [ 0.0002706300000000, 0.0016057700000000, -0.0002179100000000 ] - [ 0.0003324300000000, 0.0000569400000000, -0.0003811300000000 ] - [ -0.0001863400000000, 0.0001905200000000, 0.0002680800000000 ] - [ 0.0005973400000000, 0.0000743500000000, 0.0005810400000000 ]- atom: 77 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0008955500000000, 0.0033788900000000, -0.0024343600000000 ] - [ 0.0023795500000000, -0.0020976800000000, 0.0007516000000000 ] - [ -0.0013524400000000, 0.0018376900000000, 0.0032745700000000 ] - [ 0.0018086200000000, 0.0002972300000000, 0.0004566000000000 ] - [ -0.0005087200000000, 0.0051436900000000, 0.0037817500000000 ] - [ 0.0015255000000000, -0.0001380700000000, 0.0000619500000000 ] - [ -0.0007615900000000, -0.0005880200000000, 0.0003257400000000 ] - [ 0.0003927800000000, 0.0007929800000000, 0.0004915800000000 ] - [ -0.0004913800000000, -0.0021042500000000, -0.0002645300000000 ] - [ 0.0004243300000000, 0.0010236800000000, 0.0008621700000000 ] - [ -0.0000340600000000, -0.0015698400000000, -0.0006065100000000 ] - [ 0.0013729400000000, 0.0004759200000000, -0.0001197400000000 ] - [ -0.0005243200000000, 0.0008928700000000, -0.0000529000000000 ] - [ 0.0004168800000000, 0.0004761400000000, 0.0002132000000000 ] - [ 0.0004696900000000, -0.0020947300000000, 0.0004420100000000 ] - [ 0.0011342800000000, 0.0013660100000000, -0.0004448300000000 ] - [ -0.0002181500000000, 0.0003982600000000, 0.0001304900000000 ] - [ 0.0000634100000000, 0.0001920700000000, 0.0001625600000000 ] - [ -0.0003369100000000, 0.0006144300000000, -0.0003282800000000 ] - [ 0.0000276200000000, 0.0002774800000000, -0.0001883800000000 ] - [ -0.0001539900000000, 0.0007585300000000, 0.0001503700000000 ] - [ 0.0006719300000000, -0.0000795800000000, 0.0003557500000000 ] - [ -0.0049102100000000, 0.0022855100000000, -0.0009415600000000 ] - [ 0.0033038800000000, -0.0000094600000000, 0.0010527600000000 ] - [ -0.0008426800000000, 0.0012392400000000, -0.0000396100000000 ] - [ 0.0006019000000000, -0.0004228500000000, -0.0000182900000000 ] - [ -0.0135756900000000, 0.0082711700000000, -0.0030859100000000 ] - [ 0.0021012900000000, -0.0000153100000000, 0.0005322700000000 ] - [ -0.0011895900000000, -0.0002856500000000, -0.0002404600000000 ] - [ 0.0002553900000000, -0.0011220000000000, 0.0004309700000000 ] - [ -0.0012407600000000, -0.0000442100000000, -0.0008912000000000 ] - [ 0.0014100300000000, -0.0009625100000000, 0.0002235500000000 ] - [ 0.0002480400000000, -0.0008223600000000, 0.0002689000000000 ] - [ 0.0010872900000000, -0.0006882700000000, 0.0004584700000000 ] - [ -0.0032167800000000, 0.0002630100000000, -0.0002668200000000 ] - [ 0.0006996400000000, 0.0002084300000000, 0.0010678100000000 ] - [ -0.0009642300000000, -0.0007888000000000, -0.0002782600000000 ] - [ -0.0000540200000000, -0.0002007900000000, -0.0000684100000000 ] - [ -0.0011755200000000, -0.0010262600000000, -0.0022543900000000 ] - [ 0.0018139500000000, 0.0000603500000000, 0.0004180900000000 ] - [ 0.0004429000000000, -0.0002346700000000, -0.0006623800000000 ] - [ 0.0012495200000000, -0.0000942900000000, -0.0004229100000000 ] - [ -0.0026681400000000, 0.0013011600000000, -0.0004646700000000 ] - [ 0.0012203300000000, -0.0001950600000000, 0.0002956500000000 ] - [ -0.0007426500000000, -0.0007162100000000, -0.0000709500000000 ] - [ 0.0001024700000000, -0.0001863800000000, 0.0001982200000000 ] - [ -0.0418641500000000, 0.0198914000000000, 0.0003957300000000 ] - [ 0.0014418100000000, -0.0004585100000000, 0.0000161900000000 ] - [ -0.0159702600000000, 0.0059877900000000, -0.0084306700000000 ] - [ -0.0019657500000000, -0.0001642100000000, 0.0001568400000000 ] - [ 0.0004229600000000, -0.0001074700000000, 0.0002559400000000 ] - [ -0.0005516000000000, 0.0000320400000000, 0.0000249700000000 ] - [ 0.0000672400000000, -0.0005854600000000, -0.0001438400000000 ] - [ -0.0000487600000000, 0.0006859500000000, -0.0002290300000000 ] - [ 0.0000979000000000, -0.0006188700000000, 0.0004274600000000 ] - [ -0.0001356100000000, -0.0005336000000000, 0.0003253500000000 ] - [ 0.0000154400000000, 0.0003520600000000, -0.0001307400000000 ] - [ -0.0004113100000000, -0.0005641300000000, -0.0001596600000000 ] - [ 0.0011016000000000, -0.0004148700000000, -0.0006776800000000 ] - [ -0.0001147700000000, 0.0000652400000000, -0.0007385800000000 ] - [ 0.0001210300000000, -0.0002156300000000, 0.0000578800000000 ] - [ -0.0002249400000000, -0.0003850400000000, -0.0000415400000000 ] - [ 0.0026146100000000, 0.0006917000000000, -0.0001652500000000 ] - [ -0.0008324100000000, -0.0000988800000000, -0.0000271200000000 ] - [ -0.0003144500000000, -0.0008403000000000, -0.0003656300000000 ] - [ -0.0005584100000000, -0.0004525600000000, -0.0003668900000000 ] - [ 0.0005788200000000, 0.0001657500000000, 0.0000905000000000 ] - [ 0.0005071400000000, -0.0000088200000000, 0.0000666800000000 ] - [ 0.0017991700000000, 0.0027971800000000, 0.0001311900000000 ] - [ -0.0007004600000000, -0.0002750900000000, -0.0003325200000000 ] - [ -0.0019245200000000, 0.0018887400000000, 0.0000267000000000 ] - [ -0.0024385900000000, -0.0013806500000000, -0.0005827800000000 ] - [ 0.0024343600000000, -0.0002111400000000, 0.0026783400000000 ] - [ -0.0008936400000000, 0.0002541600000000, -0.0002834100000000 ] - [ 0.0009800500000000, 0.0001213100000000, 0.0002148700000000 ] - [ -0.0009828100000000, 0.0002064800000000, -0.0008206100000000 ] - [ 0.0911798000000000, -0.0444185300000000, 0.0065385900000000 ] - [ -0.0008293800000000, -0.0000575000000000, -0.0003811700000000 ] - [ -0.0021951100000000, 0.0036227000000000, -0.0074751900000000 ] - [ -0.0006813400000000, -0.0005065400000000, -0.0000288700000000 ] - [ -0.0003386000000000, 0.0001998700000000, 0.0000758500000000 ] - [ -0.0005167400000000, -0.0001867200000000, -0.0000310500000000 ] - [ -0.0004580100000000, -0.0001635300000000, 0.0003372700000000 ] - [ -0.0008902300000000, -0.0003251700000000, 0.0002299000000000 ] - [ 0.0004075300000000, 0.0000940500000000, 0.0000928000000000 ] - [ -0.0003983800000000, 0.0001407300000000, -0.0001524800000000 ] - [ 0.0000003400000000, -0.0063240100000000, -0.0020678300000000 ] - [ -0.0002816200000000, -0.0002775900000000, 0.0002907600000000 ] - [ -0.0000417600000000, 0.0003637800000000, -0.0001088200000000 ] - [ -0.0002103200000000, 0.0007557400000000, -0.0002126000000000 ] - [ -0.0000817000000000, 0.0002601700000000, -0.0002611800000000 ] - [ -0.0001005500000000, 0.0001284300000000, -0.0002692600000000 ] - [ -0.0004627800000000, 0.0064206900000000, 0.0040089500000000 ] - [ -0.0013576000000000, 0.0000067800000000, -0.0001203400000000 ] - [ 0.0000759000000000, -0.0002347800000000, 0.0001426400000000 ] - [ -0.0005289700000000, 0.0005661000000000, -0.0001668300000000 ] - [ 0.0009284700000000, 0.0004636900000000, 0.0000361300000000 ] - [ 0.0004383600000000, 0.0000350800000000, -0.0001208300000000 ] - [ 0.0006415900000000, -0.0001501300000000, 0.0008947600000000 ] - [ -0.0008022400000000, -0.0001053200000000, 0.0004876000000000 ] - [ 0.0013725700000000, 0.0006728000000000, 0.0005388600000000 ] - [ -0.0006956000000000, -0.0001038600000000, -0.0001363200000000 ] - [ 0.0003911500000000, -0.0011097100000000, 0.0014074500000000 ] - [ -0.0006219600000000, 0.0009201700000000, -0.0001607800000000 ] - [ 0.0004800700000000, 0.0004697600000000, -0.0002612100000000 ] - [ 0.0002572100000000, 0.0000526900000000, -0.0002635700000000 ] - [ 0.0004491700000000, 0.0000931200000000, -0.0005898000000000 ] - [ -0.0004751100000000, 0.0000838100000000, -0.0007415000000000 ] - [ 0.0002763000000000, 0.0003994000000000, 0.0005604800000000 ] - [ -0.0002183400000000, -0.0004548600000000, -0.0000210300000000 ] - [ 0.0001590900000000, 0.0005375200000000, 0.0002225300000000 ] - [ -0.0001162400000000, 0.0006302400000000, 0.0001959500000000 ] - [ -0.0009561400000000, 0.0026172600000000, 0.0048025000000000 ] - [ -0.0000558700000000, -0.0004074700000000, -0.0006121800000000 ] - [ 0.0005546200000000, 0.0013711800000000, -0.0003885600000000 ] - [ -0.0003956900000000, -0.0005517900000000, -0.0002255400000000 ] - [ -0.0001193700000000, -0.0011019100000000, 0.0004849000000000 ] - [ -0.0006998100000000, 0.0000070400000000, 0.0001100200000000 ] - [ 0.0010456600000000, -0.0013626200000000, 0.0000735500000000 ] - [ -0.0001026700000000, -0.0002955900000000, -0.0003158800000000 ] - [ -0.0000029600000000, -0.0010500300000000, -0.0004974400000000 ] - [ -0.0009165600000000, -0.0006496000000000, -0.0012131800000000 ] - [ 0.0001992600000000, 0.0000088900000000, 0.0002527600000000 ] - [ -0.0003765100000000, 0.0009163800000000, 0.0002302800000000 ] - [ 0.0000968300000000, 0.0002973100000000, -0.0000489300000000 ] - [ -0.0003335900000000, 0.0002077700000000, -0.0002100700000000 ] - [ -0.0003624500000000, 0.0011058900000000, 0.0012423200000000 ] - [ -0.0010236600000000, -0.0000818900000000, -0.0005584200000000 ] - [ -0.0122601800000000, -0.0032984600000000, -0.0010560800000000 ] - [ -0.0016011100000000, 0.0008067500000000, -0.0000959300000000 ] - [ -0.0002243400000000, 0.0004536300000000, 0.0001620600000000 ] - [ -0.0003539500000000, -0.0005745100000000, 0.0000655300000000 ] - [ -0.0000821200000000, 0.0005585600000000, -0.0003169100000000 ] - [ -0.0002880100000000, -0.0005568800000000, -0.0003325100000000 ] - [ -0.0000986200000000, -0.0000189400000000, 0.0002829000000000 ] - [ -0.0005720900000000, -0.0001121500000000, 0.0001993600000000 ] - [ 0.0014519700000000, -0.0033119500000000, 0.0011503600000000 ] - [ -0.0007613100000000, 0.0001318600000000, 0.0005978700000000 ] - [ 0.0002764100000000, 0.0002841200000000, -0.0001389500000000 ] - [ -0.0000634700000000, 0.0001203300000000, -0.0002083000000000 ] - [ -0.0003040800000000, -0.0003846800000000, -0.0003388900000000 ] - [ -0.0003767700000000, 0.0011637100000000, -0.0001787200000000 ] - [ 0.0006630900000000, 0.0000998700000000, 0.0006351100000000 ] - [ -0.0001190600000000, 0.0002168200000000, 0.0003227900000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0027538200000000, 0.0016008900000000, 0.0004288700000000 ] - [ 0.0015214600000000, 0.0006415000000000, 0.0002456000000000 ] - [ -0.0007962400000000, 0.0055997500000000, -0.0017370500000000 ] - [ 0.0006969900000000, 0.0017638400000000, 0.0001869000000000 ] - [ -0.0036237700000000, 0.0021710600000000, -0.0037310300000000 ] - [ 0.0006136300000000, 0.0016059100000000, 0.0000728200000000 ] - [ 0.0003491000000000, -0.0012257900000000, 0.0008723200000000 ] - [ -0.0005871500000000, -0.0001367000000000, 0.0002512200000000 ] - [ 0.0010165600000000, -0.0014243400000000, -0.0002964400000000 ] - [ -0.0013240800000000, -0.0002141400000000, 0.0000586500000000 ] - [ 0.0016220800000000, -0.0027039900000000, -0.0005392000000000 ] - [ 0.0000996300000000, -0.0003262100000000, -0.0004605200000000 ] - [ -0.0003503500000000, -0.0007576300000000, -0.0001596700000000 ] - [ 0.0001301300000000, -0.0000428700000000, 0.0001374200000000 ] - [ 0.0019110500000000, -0.0011811600000000, 0.0011799100000000 ] - [ -0.0004214000000000, 0.0002945900000000, -0.0003865400000000 ] - [ -0.0001923700000000, -0.0008770400000000, 0.0000652300000000 ] - [ 0.0000799600000000, -0.0006423100000000, 0.0001834400000000 ] - [ -0.0003110700000000, -0.0007360900000000, -0.0002534900000000 ] - [ 0.0000447100000000, -0.0004471000000000, -0.0002039300000000 ] - [ -0.0003291900000000, -0.0011500100000000, 0.0002760900000000 ] - [ 0.0005395500000000, -0.0004958600000000, 0.0003179900000000 ] - [ -0.0005855100000000, 0.0074285400000000, 0.0002653600000000 ] - [ 0.0008248500000000, 0.0019518200000000, 0.0003196600000000 ] - [ -0.0014662400000000, -0.0027325400000000, -0.0005257700000000 ] - [ 0.0002709900000000, -0.0002600200000000, -0.0000249800000000 ] - [ -0.0068937800000000, 0.0306641100000000, -0.0073916000000000 ] - [ 0.0004647900000000, 0.0002766900000000, 0.0001909400000000 ] - [ -0.0009593500000000, -0.0015846800000000, -0.0002085200000000 ] - [ -0.0000305400000000, -0.0009342500000000, 0.0002703600000000 ] - [ -0.0002671900000000, -0.0014060900000000, -0.0001000700000000 ] - [ 0.0006947700000000, -0.0007960100000000, -0.0000410000000000 ] - [ 0.0007448800000000, -0.0021275500000000, 0.0004134500000000 ] - [ 0.0006850800000000, -0.0012799900000000, 0.0003701900000000 ] - [ -0.0009125200000000, 0.0021216700000000, 0.0010530200000000 ] - [ -0.0009074300000000, 0.0008177100000000, 0.0005179300000000 ] - [ -0.0003187300000000, -0.0017939700000000, -0.0001228600000000 ] - [ -0.0005628700000000, -0.0009450400000000, -0.0001652900000000 ] - [ 0.0009388600000000, 0.0017831900000000, -0.0013151600000000 ] - [ 0.0003129900000000, 0.0002774700000000, -0.0000976500000000 ] - [ 0.0008798200000000, -0.0013044000000000, -0.0005826700000000 ] - [ 0.0008635400000000, -0.0006572700000000, -0.0005398200000000 ] - [ -0.0012187500000000, -0.0037279000000000, -0.0006451600000000 ] - [ 0.0003964700000000, 0.0000053600000000, 0.0001375400000000 ] - [ -0.0001869500000000, -0.0015174600000000, 0.0000644100000000 ] - [ -0.0003303200000000, -0.0009308100000000, 0.0000352000000000 ] - [ -0.0214163800000000, 0.0226274300000000, -0.0002461200000000 ] - [ -0.0009589700000000, 0.0002786200000000, -0.0004185300000000 ] - [ -0.0073679100000000, -0.0027269500000000, -0.0028124800000000 ] - [ -0.0002436600000000, -0.0006525100000000, -0.0000912300000000 ] - [ -0.0003258500000000, 0.0010927200000000, -0.0000108300000000 ] - [ -0.0002005000000000, 0.0001715800000000, 0.0001250900000000 ] - [ 0.0005906900000000, 0.0003527100000000, 0.0002750100000000 ] - [ -0.0003569200000000, 0.0001868100000000, -0.0002928800000000 ] - [ 0.0000071600000000, 0.0000763300000000, 0.0003497000000000 ] - [ -0.0000173800000000, -0.0001915100000000, 0.0003462100000000 ] - [ -0.0002816000000000, 0.0004381400000000, -0.0001701100000000 ] - [ -0.0000449200000000, 0.0000173000000000, -0.0000549400000000 ] - [ 0.0006633500000000, 0.0007146100000000, 0.0000220400000000 ] - [ 0.0001692100000000, -0.0000636000000000, -0.0006702500000000 ] - [ -0.0000501200000000, 0.0003818000000000, -0.0000253200000000 ] - [ -0.0000367300000000, 0.0000028900000000, 0.0000080700000000 ] - [ -0.0007748500000000, -0.0002404600000000, -0.0056833800000000 ] - [ -0.0001914700000000, -0.0002547900000000, 0.0001312100000000 ] - [ -0.0001443000000000, 0.0001546800000000, -0.0002627100000000 ] - [ -0.0005275800000000, -0.0002557900000000, -0.0003586000000000 ] - [ 0.0005478800000000, 0.0006441800000000, 0.0000940200000000 ] - [ 0.0006890500000000, 0.0005186700000000, 0.0001188900000000 ] - [ -0.0018560000000000, 0.0056883800000000, -0.0001381400000000 ] - [ 0.0002837100000000, -0.0001191900000000, -0.0001100800000000 ] - [ -0.0022031300000000, 0.0000114800000000, -0.0000181400000000 ] - [ 0.0005208500000000, 0.0001654300000000, 0.0004024700000000 ] - [ 0.0007404700000000, -0.0025617500000000, -0.0001281700000000 ] - [ 0.0000963900000000, -0.0002071000000000, 0.0000803700000000 ] - [ 0.0004513200000000, 0.0001091400000000, 0.0000016000000000 ] - [ -0.0004535700000000, -0.0000426300000000, -0.0005787000000000 ] - [ 0.0438310800000000, -0.0802370000000000, 0.0131275200000000 ] - [ 0.0002992700000000, -0.0005266000000000, -0.0001998000000000 ] - [ -0.0038800300000000, -0.0011015100000000, -0.0055352100000000 ] - [ 0.0001857500000000, -0.0008775300000000, -0.0000266700000000 ] - [ -0.0006848500000000, 0.0006569400000000, 0.0000600300000000 ] - [ -0.0003324600000000, 0.0002576000000000, 0.0000535900000000 ] - [ -0.0006547300000000, 0.0004054300000000, 0.0003394600000000 ] - [ -0.0006834700000000, -0.0000223600000000, 0.0002863900000000 ] - [ -0.0000734200000000, 0.0007265300000000, -0.0000110800000000 ] - [ -0.0000878600000000, 0.0002776800000000, -0.0000763600000000 ] - [ 0.0061401600000000, 0.0037718100000000, 0.0041983400000000 ] - [ 0.0002054400000000, -0.0009287600000000, 0.0003363600000000 ] - [ 0.0001429100000000, 0.0011235400000000, -0.0001204500000000 ] - [ -0.0003069300000000, 0.0009489400000000, -0.0002444200000000 ] - [ -0.0000979700000000, 0.0006786600000000, -0.0002650000000000 ] - [ 0.0000384000000000, 0.0006032600000000, -0.0002176200000000 ] - [ -0.0068835300000000, 0.0080497500000000, 0.0072853000000000 ] - [ -0.0006447700000000, -0.0001077000000000, 0.0000721700000000 ] - [ 0.0001883700000000, 0.0005652100000000, 0.0000480700000000 ] - [ -0.0005288600000000, 0.0005762100000000, -0.0001563500000000 ] - [ 0.0006080100000000, 0.0008561900000000, 0.0000031600000000 ] - [ 0.0007129600000000, 0.0004776600000000, -0.0000380500000000 ] - [ -0.0002106000000000, 0.0006856100000000, 0.0013454700000000 ] - [ -0.0003692500000000, -0.0000735700000000, 0.0006126200000000 ] - [ 0.0001449500000000, 0.0003458500000000, -0.0003007200000000 ] - [ 0.0000519200000000, -0.0000686500000000, 0.0000593300000000 ] - [ 0.0006096300000000, 0.0002322400000000, -0.0001463200000000 ] - [ -0.0003758800000000, 0.0002692800000000, -0.0000220800000000 ] - [ 0.0000934900000000, 0.0009366200000000, -0.0004097600000000 ] - [ 0.0004865000000000, 0.0004983000000000, -0.0002312200000000 ] - [ -0.0000028500000000, 0.0010874100000000, -0.0006316700000000 ] - [ -0.0001880600000000, 0.0002511600000000, -0.0006928900000000 ] - [ -0.0005538300000000, 0.0005035700000000, 0.0005591100000000 ] - [ 0.0003622300000000, -0.0003072000000000, 0.0002006800000000 ] - [ 0.0000141500000000, 0.0013110100000000, 0.0002364800000000 ] - [ -0.0000247100000000, 0.0009740000000000, 0.0002270700000000 ] - [ -0.0021919600000000, -0.0005788100000000, 0.0033036100000000 ] - [ 0.0007649400000000, -0.0006929000000000, -0.0002328400000000 ] - [ -0.0013789800000000, 0.0013378800000000, -0.0009528200000000 ] - [ 0.0005081800000000, -0.0002769300000000, -0.0000661700000000 ] - [ 0.0002549700000000, 0.0001375700000000, -0.0001215200000000 ] - [ -0.0005814000000000, -0.0002964700000000, 0.0001479100000000 ] - [ 0.0010909500000000, 0.0005036800000000, -0.0007591500000000 ] - [ 0.0001854000000000, -0.0004461600000000, -0.0002451400000000 ] - [ -0.0000506600000000, -0.0022684200000000, -0.0005298900000000 ] - [ -0.0001256300000000, -0.0013615700000000, -0.0007150400000000 ] - [ 0.0004820700000000, 0.0014567200000000, 0.0004605900000000 ] - [ -0.0003934900000000, 0.0009122300000000, 0.0002179900000000 ] - [ -0.0000346100000000, 0.0008482200000000, -0.0001126100000000 ] - [ -0.0001283700000000, 0.0005392600000000, -0.0001528900000000 ] - [ -0.0003884900000000, -0.0016033000000000, -0.0000811200000000 ] - [ 0.0003847300000000, -0.0006711100000000, 0.0004286200000000 ] - [ 0.0025692200000000, -0.0026608800000000, -0.0000481300000000 ] - [ -0.0002809400000000, -0.0003305400000000, 0.0000402600000000 ] - [ -0.0006939300000000, 0.0006783400000000, 0.0000302900000000 ] - [ 0.0000226100000000, 0.0000690700000000, 0.0001380600000000 ] - [ -0.0003613800000000, -0.0002946600000000, -0.0003377000000000 ] - [ 0.0007558500000000, -0.0005245900000000, 0.0003532500000000 ] - [ -0.0002625100000000, 0.0006083900000000, 0.0002724500000000 ] - [ -0.0003549100000000, 0.0002258200000000, 0.0002569800000000 ] - [ 0.0043396000000000, 0.0071167100000000, -0.0000957900000000 ] - [ -0.0001550900000000, -0.0001561900000000, 0.0006699400000000 ] - [ -0.0000010200000000, 0.0007765500000000, -0.0002489800000000 ] - [ 0.0000639700000000, 0.0004810500000000, -0.0001874200000000 ] - [ 0.0011066500000000, 0.0008793500000000, 0.0000194900000000 ] - [ -0.0007523000000000, 0.0006401100000000, -0.0003046700000000 ] - [ 0.0002502400000000, 0.0007950200000000, 0.0004332000000000 ] - [ 0.0001445700000000, 0.0003754500000000, 0.0004236100000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023539000000000, -0.0009809900000000, -0.0009383900000000 ] - [ -0.0019263400000000, -0.0000148000000000, -0.0007574100000000 ] - [ 0.0010233300000000, -0.0048313900000000, 0.0014975900000000 ] - [ -0.0004887800000000, -0.0010143900000000, -0.0004509500000000 ] - [ 0.0036954400000000, -0.0007469100000000, 0.0035916900000000 ] - [ -0.0005515100000000, -0.0001556900000000, -0.0002146800000000 ] - [ -0.0007620200000000, 0.0018155100000000, -0.0001821000000000 ] - [ 0.0001792500000000, 0.0007243200000000, 0.0004428500000000 ] - [ -0.0020573600000000, 0.0014346700000000, 0.0009922000000000 ] - [ 0.0002734500000000, 0.0002223100000000, 0.0006441900000000 ] - [ -0.0005805500000000, 0.0027176900000000, -0.0001613200000000 ] - [ 0.0009506900000000, 0.0003292000000000, -0.0002408200000000 ] - [ 0.0002871700000000, 0.0022134000000000, 0.0003006200000000 ] - [ -0.0001914100000000, 0.0014996500000000, 0.0000055300000000 ] - [ -0.0014951100000000, 0.0017778300000000, -0.0018634100000000 ] - [ 0.0008320900000000, 0.0002992900000000, -0.0003075700000000 ] - [ -0.0000162800000000, 0.0016266000000000, 0.0001996500000000 ] - [ -0.0002919700000000, 0.0013915300000000, 0.0000800700000000 ] - [ -0.0000639000000000, 0.0017603600000000, -0.0002627100000000 ] - [ -0.0004233200000000, 0.0014704900000000, -0.0003128900000000 ] - [ 0.0007344300000000, 0.0017897900000000, 0.0002375000000000 ] - [ -0.0001298800000000, 0.0011368100000000, 0.0001953900000000 ] - [ 0.0010267000000000, -0.0063810100000000, 0.0002268200000000 ] - [ -0.0004535400000000, -0.0009243000000000, 0.0001956400000000 ] - [ 0.0011714100000000, 0.0028218200000000, 0.0003452100000000 ] - [ -0.0005752900000000, 0.0003336600000000, -0.0001603200000000 ] - [ 0.0087609900000000, -0.0335164100000000, 0.0086042900000000 ] - [ 0.0005144700000000, -0.0009879600000000, 0.0001546200000000 ] - [ 0.0001905800000000, 0.0001903200000000, 0.0004679500000000 ] - [ -0.0007421400000000, -0.0004607300000000, -0.0000126000000000 ] - [ 0.0010399100000000, 0.0000186300000000, -0.0001590800000000 ] - [ 0.0000801100000000, -0.0005938300000000, -0.0002193700000000 ] - [ 0.0006584100000000, 0.0007593400000000, 0.0003043300000000 ] - [ 0.0007196300000000, -0.0000910400000000, 0.0003483500000000 ] - [ -0.0008158400000000, -0.0022698900000000, -0.0000043600000000 ] - [ -0.0008155600000000, -0.0009719400000000, 0.0005349600000000 ] - [ -0.0006538900000000, 0.0010808400000000, -0.0002174000000000 ] - [ -0.0004150800000000, 0.0002360700000000, -0.0001764600000000 ] - [ -0.0003481800000000, -0.0024865700000000, 0.0011894600000000 ] - [ 0.0002785900000000, -0.0009632400000000, -0.0000422600000000 ] - [ 0.0008459700000000, 0.0011424000000000, -0.0004756600000000 ] - [ 0.0008633300000000, 0.0004926400000000, -0.0005184700000000 ] - [ 0.0015078400000000, 0.0037931100000000, 0.0008288600000000 ] - [ -0.0000954400000000, 0.0000756600000000, 0.0000534500000000 ] - [ -0.0004084700000000, 0.0008300000000000, 0.0000858800000000 ] - [ -0.0002663700000000, 0.0002440800000000, 0.0001149600000000 ] - [ 0.0190089500000000, -0.0236024200000000, -0.0004671400000000 ] - [ -0.0004431800000000, -0.0016477500000000, -0.0003074800000000 ] - [ 0.0061997800000000, 0.0028467900000000, 0.0026364000000000 ] - [ -0.0008723100000000, 0.0007205700000000, -0.0000732200000000 ] - [ -0.0000089200000000, -0.0011295900000000, 0.0002689300000000 ] - [ -0.0001356800000000, -0.0002033300000000, 0.0001320500000000 ] - [ -0.0003593900000000, 0.0000245700000000, -0.0002968200000000 ] - [ 0.0005909100000000, 0.0001908100000000, 0.0002723700000000 ] - [ -0.0000369500000000, -0.0012985400000000, 0.0004008900000000 ] - [ -0.0000134300000000, -0.0010306400000000, 0.0004040200000000 ] - [ -0.0001097500000000, -0.0008736600000000, -0.0000764400000000 ] - [ -0.0003453500000000, -0.0004530600000000, -0.0001912300000000 ] - [ -0.0000386800000000, -0.0009723700000000, -0.0013051000000000 ] - [ 0.0004571500000000, -0.0001908400000000, -0.0006075900000000 ] - [ -0.0000785900000000, -0.0010795300000000, 0.0000279900000000 ] - [ -0.0000921900000000, -0.0006996500000000, -0.0000059800000000 ] - [ 0.0005716200000000, 0.0005623100000000, 0.0060332300000000 ] - [ -0.0000149000000000, 0.0005532100000000, 0.0002068400000000 ] - [ -0.0007121400000000, -0.0014259000000000, -0.0004590800000000 ] - [ -0.0003268100000000, -0.0010132500000000, -0.0003625200000000 ] - [ 0.0005704300000000, -0.0005777100000000, 0.0000688900000000 ] - [ 0.0004311100000000, -0.0004524000000000, 0.0000444600000000 ] - [ 0.0021561100000000, -0.0056438700000000, -0.0001177500000000 ] - [ 0.0000520100000000, 0.0000854500000000, -0.0001466400000000 ] - [ 0.0014157800000000, 0.0003308000000000, 0.0004881200000000 ] - [ -0.0013104700000000, 0.0001782600000000, 0.0000641100000000 ] - [ -0.0004816600000000, 0.0029863700000000, 0.0004123400000000 ] - [ 0.0001686600000000, 0.0006295600000000, 0.0001876900000000 ] - [ -0.0009294600000000, 0.0001880200000000, -0.0009077700000000 ] - [ -0.0000235600000000, 0.0003368600000000, -0.0003248800000000 ] - [ -0.0432300500000000, 0.0817621500000000, -0.0145203600000000 ] - [ 0.0003970000000000, 0.0003161400000000, -0.0002737400000000 ] - [ 0.0040026600000000, 0.0003620700000000, 0.0055326200000000 ] - [ -0.0000574200000000, 0.0001797900000000, 0.0000252300000000 ] - [ -0.0000851600000000, -0.0007992800000000, -0.0000377600000000 ] - [ -0.0004396400000000, -0.0003979100000000, -0.0000312600000000 ] - [ -0.0007462300000000, -0.0010016800000000, 0.0002238100000000 ] - [ -0.0007175900000000, -0.0005730400000000, 0.0002772600000000 ] - [ 0.0000055700000000, -0.0005738400000000, -0.0000959600000000 ] - [ 0.0000198100000000, -0.0001234800000000, -0.0000304900000000 ] - [ -0.0051972700000000, -0.0049835700000000, -0.0034191600000000 ] - [ 0.0006506200000000, -0.0003420300000000, 0.0003853800000000 ] - [ -0.0003564000000000, -0.0000338600000000, -0.0001943400000000 ] - [ 0.0000957400000000, 0.0001413800000000, -0.0000698500000000 ] - [ -0.0000641400000000, -0.0003697200000000, -0.0002573100000000 ] - [ -0.0001989500000000, -0.0002942100000000, -0.0003042800000000 ] - [ 0.0056598300000000, -0.0078164400000000, -0.0072844900000000 ] - [ -0.0006843900000000, 0.0004595000000000, 0.0000417300000000 ] - [ -0.0004190100000000, -0.0001915500000000, -0.0000263900000000 ] - [ 0.0002958900000000, -0.0002019300000000, 0.0001772100000000 ] - [ 0.0007209100000000, -0.0005058600000000, -0.0001157000000000 ] - [ 0.0006170300000000, -0.0001282300000000, -0.0000750500000000 ] - [ -0.0004155300000000, -0.0009414000000000, -0.0000619000000000 ] - [ -0.0002567800000000, -0.0001832100000000, 0.0006658700000000 ] - [ -0.0000777900000000, -0.0001990300000000, 0.0004052500000000 ] - [ 0.0000160400000000, 0.0002198300000000, 0.0000484800000000 ] - [ -0.0003973200000000, 0.0008496900000000, 0.0004642000000000 ] - [ 0.0005880900000000, 0.0008184500000000, 0.0003371600000000 ] - [ 0.0006935300000000, -0.0005883400000000, -0.0000598200000000 ] - [ 0.0002979600000000, -0.0001483700000000, -0.0002395800000000 ] - [ -0.0001970600000000, -0.0010173200000000, -0.0007188000000000 ] - [ -0.0000135600000000, -0.0001851500000000, -0.0006580500000000 ] - [ 0.0009489100000000, -0.0009378500000000, -0.0003175100000000 ] - [ 0.0000285000000000, -0.0001256200000000, 0.0000464200000000 ] - [ 0.0000227000000000, -0.0002130700000000, 0.0001847200000000 ] - [ 0.0000604800000000, 0.0001240100000000, 0.0001940100000000 ] - [ 0.0035904300000000, -0.0000409600000000, -0.0038638900000000 ] - [ 0.0006358300000000, 0.0000971500000000, -0.0003304800000000 ] - [ 0.0017853600000000, -0.0017415200000000, 0.0007306000000000 ] - [ -0.0001141000000000, -0.0001211400000000, -0.0001621900000000 ] - [ -0.0009656800000000, -0.0011765400000000, 0.0005634100000000 ] - [ -0.0001244700000000, -0.0007390900000000, 0.0002905900000000 ] - [ -0.0003795400000000, -0.0015404100000000, 0.0003177300000000 ] - [ 0.0005207900000000, -0.0005928000000000, -0.0001927900000000 ] - [ 0.0000849900000000, 0.0010497100000000, -0.0002196800000000 ] - [ 0.0001546900000000, 0.0001403400000000, -0.0000376200000000 ] - [ -0.0004390100000000, -0.0002311500000000, 0.0000987500000000 ] - [ 0.0004331500000000, 0.0003109100000000, 0.0003405500000000 ] - [ -0.0002282100000000, -0.0004260600000000, -0.0001554000000000 ] - [ -0.0001338000000000, -0.0001171400000000, -0.0001148700000000 ] - [ 0.0005485800000000, 0.0019178900000000, 0.0006032200000000 ] - [ -0.0002226900000000, 0.0009821000000000, 0.0000970000000000 ] - [ -0.0025517900000000, 0.0037906900000000, -0.0003677900000000 ] - [ 0.0002418800000000, 0.0014300800000000, -0.0004587600000000 ] - [ 0.0002955300000000, -0.0010770000000000, 0.0001975200000000 ] - [ -0.0004162300000000, -0.0004708900000000, 0.0000900300000000 ] - [ 0.0011350400000000, 0.0001490100000000, 0.0003176900000000 ] - [ 0.0000164000000000, 0.0003797300000000, -0.0003728200000000 ] - [ -0.0004343100000000, -0.0008191600000000, 0.0002011800000000 ] - [ -0.0003411800000000, -0.0004366100000000, 0.0002167000000000 ] - [ -0.0041937400000000, -0.0071559800000000, 0.0014690200000000 ] - [ 0.0003571900000000, 0.0002248800000000, 0.0006826600000000 ] - [ 0.0002079200000000, -0.0004788400000000, -0.0000890600000000 ] - [ 0.0001435300000000, -0.0001844000000000, -0.0001497800000000 ] - [ -0.0011544600000000, 0.0003473100000000, -0.0005801200000000 ] - [ 0.0007147200000000, 0.0005864500000000, -0.0002524000000000 ] - [ 0.0002260800000000, -0.0005044100000000, 0.0004707000000000 ] - [ 0.0003315800000000, -0.0000851700000000, 0.0004802200000000 ]- atom: 77 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ 0.0012249800000000, 0.0013516900000000, -0.0009784200000000 ] - [ -0.0005865400000000, 0.0003974700000000, 0.0000461600000000 ] - [ -0.0034557000000000, -0.0016334300000000, -0.0046855500000000 ] - [ 0.0000829700000000, 0.0002994200000000, -0.0005521000000000 ] - [ -0.0026124200000000, -0.0012254300000000, -0.0000964300000000 ] - [ 0.0003256500000000, 0.0005267200000000, -0.0003480700000000 ] - [ -0.0003249700000000, 0.0006802400000000, 0.0001513000000000 ] - [ -0.0001753700000000, 0.0003236600000000, 0.0003046800000000 ] - [ -0.0000233600000000, -0.0011215500000000, 0.0002200800000000 ] - [ -0.0006013900000000, 0.0001330400000000, 0.0006666200000000 ] - [ 0.0007238800000000, -0.0009138600000000, -0.0000729700000000 ] - [ 0.0006032500000000, 0.0000663500000000, -0.0002873700000000 ] - [ -0.0000967300000000, 0.0007040300000000, 0.0000024300000000 ] - [ 0.0000170400000000, 0.0007568400000000, 0.0000491600000000 ] - [ -0.0002748200000000, 0.0012861700000000, -0.0002243500000000 ] - [ 0.0005161600000000, 0.0005256000000000, -0.0006849700000000 ] - [ -0.0001221200000000, 0.0004055200000000, 0.0001481000000000 ] - [ -0.0000841900000000, 0.0004065200000000, 0.0001132600000000 ] - [ -0.0001764800000000, 0.0005802400000000, -0.0002764300000000 ] - [ -0.0001847600000000, 0.0005498900000000, -0.0002334800000000 ] - [ 0.0001779900000000, 0.0004938100000000, 0.0003126700000000 ] - [ 0.0002451200000000, 0.0003260200000000, 0.0003103200000000 ] - [ -0.0006811200000000, 0.0009948400000000, 0.0047775400000000 ] - [ 0.0005246000000000, 0.0003257300000000, 0.0006664600000000 ] - [ -0.0000924500000000, 0.0006193400000000, 0.0002778100000000 ] - [ -0.0000794800000000, 0.0000101300000000, -0.0000435600000000 ] - [ -0.0004679500000000, -0.0059558000000000, 0.0106246400000000 ] - [ 0.0007050100000000, -0.0003611400000000, 0.0002032700000000 ] - [ -0.0003913800000000, -0.0007433900000000, -0.0001678800000000 ] - [ -0.0004056600000000, -0.0006597100000000, 0.0001083200000000 ] - [ 0.0003766500000000, -0.0003053400000000, -0.0007178200000000 ] - [ 0.0003904600000000, -0.0006712400000000, -0.0001002000000000 ] - [ 0.0006330600000000, -0.0006286500000000, 0.0003947600000000 ] - [ 0.0007392900000000, -0.0006514800000000, 0.0003652200000000 ] - [ -0.0004379500000000, 0.0008450200000000, -0.0044967300000000 ] - [ -0.0009762900000000, -0.0001768600000000, 0.0004284900000000 ] - [ -0.0005228100000000, -0.0003763100000000, -0.0001275200000000 ] - [ -0.0004380900000000, -0.0002858700000000, -0.0001535100000000 ] - [ 0.0020244400000000, -0.0012622700000000, -0.0048334500000000 ] - [ 0.0002647600000000, -0.0003848800000000, -0.0000587900000000 ] - [ 0.0008341200000000, -0.0000749300000000, -0.0005830300000000 ] - [ 0.0008871000000000, -0.0000511100000000, -0.0005205900000000 ] - [ -0.0001265600000000, -0.0004251300000000, 0.0007473700000000 ] - [ 0.0003149400000000, 0.0000389200000000, 0.0001310000000000 ] - [ -0.0003200700000000, -0.0003163900000000, 0.0000125200000000 ] - [ -0.0002751800000000, -0.0002922200000000, 0.0000804200000000 ] - [ -0.0113019900000000, 0.0040357100000000, 0.0074972300000000 ] - [ -0.0001528600000000, -0.0008512900000000, -0.0002151900000000 ] - [ 0.0032539500000000, -0.0005147300000000, -0.0027586600000000 ] - [ -0.0008732700000000, 0.0000750800000000, 0.0000154300000000 ] - [ -0.0000588400000000, -0.0001786400000000, 0.0000626500000000 ] - [ -0.0001957000000000, -0.0000288600000000, 0.0001220500000000 ] - [ 0.0000767400000000, 0.0002541700000000, 0.0002687200000000 ] - [ 0.0001889800000000, 0.0001399100000000, 0.0000882500000000 ] - [ -0.0000092600000000, -0.0006348100000000, 0.0003991300000000 ] - [ -0.0000242300000000, -0.0006281700000000, 0.0003699400000000 ] - [ -0.0002255500000000, -0.0002483500000000, 0.0000671800000000 ] - [ -0.0002066500000000, -0.0002650800000000, -0.0000983900000000 ] - [ 0.0005379600000000, 0.0000347200000000, -0.0007850500000000 ] - [ 0.0002792500000000, -0.0001168300000000, -0.0006192300000000 ] - [ -0.0000539500000000, -0.0003824600000000, 0.0000209400000000 ] - [ -0.0000768100000000, -0.0003665100000000, 0.0000002000000000 ] - [ 0.0011820300000000, -0.0040555200000000, 0.0080947300000000 ] - [ -0.0001401200000000, 0.0001694600000000, 0.0001999300000000 ] - [ -0.0004269000000000, -0.0006970400000000, -0.0004053300000000 ] - [ -0.0004455500000000, -0.0006330100000000, -0.0003717300000000 ] - [ 0.0005536700000000, 0.0000254100000000, 0.0000700600000000 ] - [ 0.0005491600000000, -0.0000049900000000, 0.0000737800000000 ] - [ 0.0005370700000000, 0.0003307400000000, -0.0014316200000000 ] - [ -0.0000452100000000, -0.0000819700000000, -0.0001671100000000 ] - [ -0.0006679500000000, 0.0005237400000000, -0.0005316800000000 ] - [ -0.0016140400000000, -0.0007930800000000, -0.0005448700000000 ] - [ -0.0011735900000000, 0.0003984500000000, 0.0052258100000000 ] - [ 0.0001207400000000, 0.0002415600000000, 0.0001161300000000 ] - [ -0.0004367300000000, 0.0002546100000000, 0.0005369400000000 ] - [ -0.0002258800000000, 0.0001412700000000, -0.0004220500000000 ] - [ 0.0167935700000000, 0.0020819900000000, -0.0278514900000000 ] - [ 0.0001856900000000, -0.0000582800000000, -0.0002570900000000 ] - [ 0.0057165200000000, -0.0039628200000000, 0.0043475800000000 ] - [ -0.0001112300000000, -0.0002960100000000, 0.0001766600000000 ] - [ -0.0004169100000000, -0.0000421900000000, 0.0000983300000000 ] - [ -0.0003899100000000, -0.0000902300000000, 0.0000016300000000 ] - [ -0.0006617700000000, -0.0002607700000000, 0.0002729100000000 ] - [ -0.0007167600000000, -0.0003160300000000, 0.0002767000000000 ] - [ -0.0000230700000000, 0.0000703700000000, 0.0000399000000000 ] - [ -0.0000434300000000, 0.0000664700000000, -0.0000548300000000 ] - [ 0.0026729800000000, 0.0012430400000000, -0.0013513000000000 ] - [ 0.0003135800000000, -0.0005913600000000, 0.0003931100000000 ] - [ -0.0001124500000000, 0.0005333900000000, -0.0001186000000000 ] - [ -0.0000992700000000, 0.0005078200000000, -0.0001469700000000 ] - [ -0.0000902500000000, 0.0001396300000000, -0.0002519100000000 ] - [ -0.0000737200000000, 0.0001356700000000, -0.0002546500000000 ] - [ -0.0040050300000000, 0.0078418800000000, 0.0021426700000000 ] - [ -0.0007181800000000, 0.0001793600000000, 0.0000136600000000 ] - [ -0.0001094800000000, 0.0000712600000000, 0.0001041700000000 ] - [ -0.0000587500000000, 0.0001231900000000, 0.0000300100000000 ] - [ 0.0006827000000000, 0.0002436700000000, -0.0000314800000000 ] - [ 0.0006481700000000, 0.0001391000000000, -0.0000679800000000 ] - [ -0.0002227700000000, 0.0001341200000000, 0.0008559100000000 ] - [ -0.0003544100000000, -0.0001405000000000, 0.0006387300000000 ] - [ -0.0000189400000000, -0.0002889700000000, 0.0010237000000000 ] - [ 0.0000264900000000, 0.0000885100000000, 0.0000747300000000 ] - [ -0.0002621600000000, 0.0001473000000000, 0.0014444700000000 ] - [ 0.0002347400000000, 0.0005245400000000, 0.0001509100000000 ] - [ 0.0004188200000000, 0.0001760600000000, -0.0003162700000000 ] - [ 0.0003697400000000, 0.0001452500000000, -0.0002338500000000 ] - [ -0.0000339100000000, 0.0000499600000000, -0.0007346100000000 ] - [ -0.0001479200000000, 0.0000178000000000, -0.0006852500000000 ] - [ -0.0000804800000000, -0.0002275500000000, 0.0010310300000000 ] - [ 0.0002040500000000, -0.0001971000000000, 0.0001085700000000 ] - [ 0.0000398900000000, 0.0005282800000000, 0.0001917200000000 ] - [ 0.0000021300000000, 0.0005344400000000, 0.0002098700000000 ] - [ -0.0038287900000000, 0.0033631600000000, 0.0043090300000000 ] - [ 0.0006694700000000, -0.0002495300000000, -0.0004363400000000 ] - [ 0.0006352000000000, -0.0006135800000000, -0.0007284700000000 ] - [ 0.0000655600000000, -0.0002741600000000, -0.0001186400000000 ] - [ -0.0004371500000000, -0.0007088100000000, 0.0003586400000000 ] - [ -0.0003391900000000, -0.0005518400000000, 0.0001865200000000 ] - [ 0.0004102000000000, -0.0009507100000000, -0.0004006000000000 ] - [ 0.0003094800000000, -0.0005063300000000, -0.0002559700000000 ] - [ -0.0000635300000000, -0.0004904600000000, 0.0006688500000000 ] - [ 0.0002998500000000, -0.0006788900000000, -0.0002150700000000 ] - [ 0.0001148100000000, 0.0006902100000000, 0.0002157500000000 ] - [ -0.0000926300000000, 0.0006608900000000, 0.0002748500000000 ] - [ -0.0001164100000000, 0.0002029900000000, -0.0001123300000000 ] - [ -0.0001449100000000, 0.0001891200000000, -0.0001381900000000 ] - [ -0.0006559900000000, 0.0006766200000000, 0.0017496400000000 ] - [ 0.0002902200000000, 0.0001692100000000, 0.0001033900000000 ] - [ -0.0028033800000000, -0.0003038600000000, -0.0029909900000000 ] - [ -0.0002515500000000, 0.0008838200000000, -0.0004853400000000 ] - [ -0.0001830500000000, -0.0001696100000000, -0.0000427500000000 ] - [ -0.0002261600000000, -0.0003041400000000, 0.0000907800000000 ] - [ -0.0000202100000000, -0.0001301100000000, 0.0008532200000000 ] - [ 0.0007373900000000, 0.0002479500000000, 0.0001030200000000 ] - [ -0.0003288100000000, -0.0001181400000000, 0.0002299400000000 ] - [ -0.0003687800000000, -0.0001268700000000, 0.0002318600000000 ] - [ -0.0003244600000000, -0.0021797400000000, -0.0008074600000000 ] - [ 0.0000481100000000, 0.0000636200000000, 0.0006324400000000 ] - [ 0.0001214500000000, 0.0001331900000000, -0.0001770700000000 ] - [ 0.0000895500000000, 0.0001221800000000, -0.0001649500000000 ] - [ -0.0001105000000000, 0.0005371800000000, -0.0005923700000000 ] - [ -0.0001439100000000, 0.0006796400000000, -0.0003633300000000 ] - [ 0.0002634400000000, 0.0000827900000000, 0.0005321200000000 ] - [ 0.0002242600000000, 0.0001291900000000, 0.0004415100000000 ]- atom: 77 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0016330200000000, -0.0007133800000000, 0.0004810100000000 ] - [ 0.0001847100000000, 0.0002371300000000, -0.0005560300000000 ] - [ 0.0036346700000000, 0.0023722900000000, 0.0044356000000000 ] - [ 0.0001284500000000, 0.0004504000000000, 0.0002895700000000 ] - [ 0.0026759800000000, 0.0026728400000000, -0.0000763400000000 ] - [ -0.0002687700000000, 0.0009320000000000, 0.0002043800000000 ] - [ -0.0000853900000000, -0.0000905800000000, 0.0005465800000000 ] - [ -0.0002352700000000, 0.0002633300000000, 0.0003894400000000 ] - [ -0.0010242800000000, 0.0011216100000000, 0.0004902400000000 ] - [ -0.0004469900000000, -0.0001309900000000, 0.0000345900000000 ] - [ 0.0003266100000000, 0.0009186800000000, -0.0006319700000000 ] - [ 0.0004425800000000, -0.0000626700000000, -0.0004143500000000 ] - [ 0.0000341700000000, 0.0007491400000000, 0.0001423100000000 ] - [ -0.0000804200000000, 0.0006969000000000, 0.0000943600000000 ] - [ 0.0006845000000000, -0.0006965700000000, -0.0004760500000000 ] - [ -0.0001106200000000, 0.0000577700000000, -0.0000068200000000 ] - [ -0.0000885900000000, 0.0003412200000000, 0.0001157200000000 ] - [ -0.0001269200000000, 0.0003409900000000, 0.0001508500000000 ] - [ -0.0002006800000000, 0.0004414700000000, -0.0002385100000000 ] - [ -0.0001917400000000, 0.0004723200000000, -0.0002824200000000 ] - [ 0.0002300500000000, 0.0001425300000000, 0.0001998300000000 ] - [ 0.0001611900000000, 0.0003116100000000, 0.0002029400000000 ] - [ 0.0012667200000000, 0.0001059800000000, -0.0043561900000000 ] - [ -0.0001554900000000, 0.0007006100000000, -0.0001516200000000 ] - [ -0.0002127000000000, -0.0005533100000000, -0.0004644800000000 ] - [ -0.0002248100000000, 0.0000651000000000, -0.0001424700000000 ] - [ 0.0014912900000000, 0.0052179100000000, -0.0103348100000000 ] - [ 0.0002713200000000, -0.0003471000000000, 0.0001390000000000 ] - [ -0.0003779000000000, -0.0006477200000000, 0.0004270700000000 ] - [ -0.0003666700000000, -0.0007328200000000, 0.0001508400000000 ] - [ 0.0003976500000000, -0.0010957200000000, 0.0004576900000000 ] - [ 0.0003818800000000, -0.0007213600000000, -0.0001608900000000 ] - [ 0.0007731200000000, -0.0007443800000000, 0.0003237300000000 ] - [ 0.0006651600000000, -0.0007212800000000, 0.0003528100000000 ] - [ -0.0012617600000000, -0.0010106100000000, 0.0055492100000000 ] - [ -0.0007513200000000, 0.0000215400000000, 0.0006251700000000 ] - [ -0.0004543400000000, -0.0003340300000000, -0.0002098400000000 ] - [ -0.0005390800000000, -0.0004283700000000, -0.0001855400000000 ] - [ -0.0014339700000000, 0.0006024500000000, 0.0046833000000000 ] - [ 0.0003243500000000, -0.0002977900000000, -0.0000815900000000 ] - [ 0.0008921300000000, -0.0000896100000000, -0.0004750700000000 ] - [ 0.0008383700000000, -0.0001145400000000, -0.0005378100000000 ] - [ 0.0004318300000000, 0.0005111400000000, -0.0005529500000000 ] - [ -0.0000167300000000, 0.0000386400000000, 0.0000611100000000 ] - [ -0.0002753100000000, -0.0003731000000000, 0.0001381200000000 ] - [ -0.0003212700000000, -0.0003970000000000, 0.0000704100000000 ] - [ 0.0099280100000000, -0.0053889700000000, -0.0083304600000000 ] - [ -0.0012587700000000, -0.0005177900000000, -0.0005123000000000 ] - [ -0.0044379500000000, 0.0005934700000000, 0.0025528500000000 ] - [ -0.0002424700000000, -0.0000102400000000, -0.0001803900000000 ] - [ -0.0002790100000000, 0.0001484700000000, 0.0001945900000000 ] - [ -0.0001401600000000, -0.0000032500000000, 0.0001358600000000 ] - [ 0.0001540600000000, 0.0001202400000000, -0.0002889200000000 ] - [ 0.0000435500000000, 0.0002331600000000, -0.0001097300000000 ] - [ -0.0000211400000000, -0.0005875700000000, 0.0003512500000000 ] - [ -0.0000057800000000, -0.0005941400000000, 0.0003805700000000 ] - [ -0.0001667500000000, -0.0001860400000000, -0.0003134300000000 ] - [ -0.0001845700000000, -0.0001687500000000, -0.0001485300000000 ] - [ 0.0000855800000000, -0.0002895100000000, -0.0004896800000000 ] - [ 0.0003466500000000, -0.0001393500000000, -0.0006580700000000 ] - [ -0.0000748700000000, -0.0003148300000000, -0.0000186600000000 ] - [ -0.0000513900000000, -0.0003303400000000, 0.0000025600000000 ] - [ -0.0013625000000000, 0.0042692500000000, -0.0076651000000000 ] - [ -0.0000658600000000, 0.0001256700000000, 0.0001387500000000 ] - [ -0.0004288500000000, -0.0005705500000000, -0.0003154700000000 ] - [ -0.0004101100000000, -0.0006356200000000, -0.0003489600000000 ] - [ 0.0005648500000000, 0.0000403800000000, 0.0000938800000000 ] - [ 0.0005694100000000, 0.0000710500000000, 0.0000903200000000 ] - [ -0.0001974700000000, -0.0003837700000000, 0.0011736400000000 ] - [ 0.0003831000000000, 0.0000505400000000, -0.0000885800000000 ] - [ -0.0001116200000000, -0.0001791300000000, 0.0010015500000000 ] - [ 0.0008411600000000, 0.0011527900000000, 0.0010242000000000 ] - [ 0.0014567800000000, 0.0000229600000000, -0.0050200200000000 ] - [ 0.0001452000000000, 0.0001794300000000, 0.0001537400000000 ] - [ -0.0000472700000000, 0.0000302700000000, -0.0014392300000000 ] - [ -0.0002516800000000, 0.0001496000000000, -0.0004806600000000 ] - [ -0.0162714800000000, -0.0022807300000000, 0.0275685300000000 ] - [ 0.0005122000000000, -0.0001540100000000, -0.0002163800000000 ] - [ -0.0056537200000000, 0.0032969000000000, -0.0043595400000000 ] - [ 0.0002415000000000, -0.0004017700000000, -0.0001780800000000 ] - [ -0.0003545200000000, -0.0000990800000000, -0.0000752900000000 ] - [ -0.0003811900000000, -0.0000501700000000, 0.0000217500000000 ] - [ -0.0007399900000000, -0.0003337300000000, 0.0002917800000000 ] - [ -0.0006840200000000, -0.0002781700000000, 0.0002876800000000 ] - [ -0.0000460300000000, 0.0000826100000000, -0.0001466600000000 ] - [ -0.0000244200000000, 0.0000873100000000, -0.0000516200000000 ] - [ -0.0018306900000000, -0.0025258200000000, 0.0020532800000000 ] - [ 0.0005429500000000, -0.0006779700000000, 0.0003282700000000 ] - [ -0.0001006700000000, 0.0005573800000000, -0.0001956500000000 ] - [ -0.0001134900000000, 0.0005824400000000, -0.0001672800000000 ] - [ -0.0000719900000000, 0.0001690600000000, -0.0002703400000000 ] - [ -0.0000886000000000, 0.0001730300000000, -0.0002677600000000 ] - [ 0.0026953700000000, -0.0075718400000000, -0.0020156100000000 ] - [ -0.0006102000000000, 0.0001692000000000, 0.0001011200000000 ] - [ -0.0001230400000000, 0.0003051700000000, -0.0000831000000000 ] - [ -0.0001733500000000, 0.0002509400000000, -0.0000083200000000 ] - [ 0.0006463600000000, 0.0001055800000000, -0.0000819500000000 ] - [ 0.0006810500000000, 0.0002103200000000, -0.0000449500000000 ] - [ -0.0004024200000000, -0.0003886200000000, 0.0004196900000000 ] - [ -0.0002707900000000, -0.0001151800000000, 0.0006406800000000 ] - [ 0.0000831500000000, 0.0004477100000000, -0.0009132900000000 ] - [ 0.0000423500000000, 0.0000641200000000, 0.0000338000000000 ] - [ 0.0004763200000000, 0.0009490100000000, -0.0011314900000000 ] - [ -0.0000226600000000, 0.0005651800000000, 0.0001656800000000 ] - [ 0.0003661100000000, 0.0001739200000000, -0.0001536400000000 ] - [ 0.0004158200000000, 0.0002049700000000, -0.0002362200000000 ] - [ -0.0001686400000000, 0.0000146900000000, -0.0006153200000000 ] - [ -0.0000532700000000, 0.0000480300000000, -0.0006643100000000 ] - [ 0.0004720900000000, -0.0002134000000000, -0.0007798800000000 ] - [ 0.0001877100000000, -0.0002380300000000, 0.0001400600000000 ] - [ -0.0000040800000000, 0.0005693700000000, 0.0002303400000000 ] - [ 0.0000342200000000, 0.0005634700000000, 0.0002123600000000 ] - [ 0.0051702900000000, -0.0039062200000000, -0.0048413000000000 ] - [ 0.0007320300000000, -0.0003454300000000, -0.0001254100000000 ] - [ -0.0002436300000000, 0.0002177500000000, 0.0004976200000000 ] - [ 0.0003301200000000, -0.0001267500000000, -0.0001095600000000 ] - [ -0.0002693500000000, -0.0003277900000000, 0.0000772500000000 ] - [ -0.0003681200000000, -0.0004857500000000, 0.0002521000000000 ] - [ 0.0002943700000000, -0.0000847700000000, -0.0000333800000000 ] - [ 0.0003982000000000, -0.0005319900000000, -0.0001811800000000 ] - [ 0.0000875800000000, -0.0007357600000000, -0.0014182700000000 ] - [ -0.0002669500000000, -0.0005461300000000, -0.0005375400000000 ] - [ -0.0000753300000000, 0.0005325700000000, 0.0003437400000000 ] - [ 0.0001332900000000, 0.0005625800000000, 0.0002844700000000 ] - [ -0.0001468100000000, 0.0002191200000000, -0.0001561500000000 ] - [ -0.0001175400000000, 0.0002330400000000, -0.0001299700000000 ] - [ 0.0008247000000000, -0.0003730300000000, -0.0012233500000000 ] - [ -0.0001279100000000, 0.0001381700000000, 0.0004235900000000 ] - [ 0.0028103200000000, 0.0014107100000000, 0.0025529400000000 ] - [ 0.0002154400000000, 0.0002102200000000, 0.0000694000000000 ] - [ -0.0002117000000000, -0.0002325700000000, 0.0002719800000000 ] - [ -0.0001695200000000, -0.0000959200000000, 0.0001384600000000 ] - [ 0.0007872100000000, -0.0000096300000000, -0.0008725300000000 ] - [ 0.0000370300000000, -0.0003870400000000, -0.0001256000000000 ] - [ -0.0003684000000000, -0.0000927700000000, 0.0002447700000000 ] - [ -0.0003278000000000, -0.0000839200000000, 0.0002430800000000 ] - [ 0.0005380500000000, 0.0022706000000000, 0.0021458500000000 ] - [ 0.0001537300000000, 0.0000015300000000, 0.0007200800000000 ] - [ 0.0000843900000000, 0.0001627400000000, -0.0001596900000000 ] - [ 0.0001166100000000, 0.0001739500000000, -0.0001719800000000 ] - [ 0.0000713800000000, 0.0006882300000000, 0.0000355300000000 ] - [ 0.0001021100000000, 0.0005433100000000, -0.0001930300000000 ] - [ 0.0002127200000000, 0.0002081400000000, 0.0003715300000000 ] - [ 0.0002527200000000, 0.0001608000000000, 0.0004625300000000 ]- atom: 81 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0010643100000000, 0.0010338000000000, -0.0006169700000000 ] - [ 0.0007311300000000, -0.0004264100000000, 0.0001601300000000 ] - [ 0.0006301500000000, 0.0006953300000000, 0.0000048700000000 ] - [ -0.0003230400000000, 0.0004997000000000, -0.0002506400000000 ] - [ -0.0008058600000000, 0.0015658100000000, -0.0001553700000000 ] - [ 0.0005774000000000, -0.0004030200000000, -0.0000905900000000 ] - [ 0.0069500500000000, 0.0001211600000000, 0.0014168100000000 ] - [ -0.0019340100000000, 0.0000186000000000, -0.0001000700000000 ] - [ -0.0007533700000000, -0.0001219600000000, 0.0002671100000000 ] - [ -0.0003132100000000, 0.0005880600000000, 0.0004346500000000 ] - [ 0.0103501100000000, -0.0026303800000000, -0.0023784800000000 ] - [ -0.0010938700000000, -0.0004509800000000, -0.0007818500000000 ] - [ 0.0016638800000000, 0.0003542200000000, 0.0004457600000000 ] - [ -0.0011070000000000, 0.0008214900000000, -0.0002359100000000 ] - [ -0.0000982800000000, 0.0002806000000000, -0.0004055400000000 ] - [ 0.0005638000000000, 0.0008742400000000, -0.0002785700000000 ] - [ -0.0022796200000000, -0.0003033800000000, -0.0001444500000000 ] - [ 0.0167068100000000, -0.0062274900000000, 0.0013112800000000 ] - [ -0.0018562700000000, -0.0001321800000000, -0.0012305300000000 ] - [ 0.0011560700000000, 0.0014617700000000, 0.0003839500000000 ] - [ 0.0018979600000000, 0.0000685400000000, 0.0007492300000000 ] - [ -0.0008844000000000, 0.0003521300000000, -0.0000178100000000 ] - [ 0.0007058400000000, 0.0009056100000000, 0.0004022500000000 ] - [ -0.0002263900000000, 0.0006169000000000, 0.0001491000000000 ] - [ -0.0012103300000000, 0.0005795900000000, -0.0000906100000000 ] - [ -0.0011387400000000, -0.0025283400000000, -0.0014041900000000 ] - [ 0.0007629600000000, 0.0004944900000000, 0.0006136800000000 ] - [ -0.0000596900000000, -0.0005977700000000, -0.0000342900000000 ] - [ -0.0038284600000000, 0.0016082900000000, -0.0005197200000000 ] - [ -0.0022814500000000, -0.0032688700000000, 0.0005865800000000 ] - [ 0.0007584600000000, -0.0007782800000000, -0.0000360800000000 ] - [ -0.0000114900000000, -0.0003483200000000, -0.0002220400000000 ] - [ 0.0017849500000000, -0.0016163500000000, 0.0032971000000000 ] - [ -0.0009531300000000, -0.0007539300000000, -0.0003724900000000 ] - [ -0.0009501900000000, 0.0002104300000000, 0.0004898100000000 ] - [ -0.0008472000000000, -0.0000319900000000, 0.0005368500000000 ] - [ -0.0008265300000000, -0.0012141700000000, -0.0001477500000000 ] - [ -0.0006514200000000, 0.0010268000000000, -0.0012621800000000 ] - [ 0.0008505200000000, 0.0008096300000000, -0.0002268100000000 ] - [ -0.0002876200000000, -0.0006159500000000, -0.0001692100000000 ] - [ 0.0241956300000000, 0.0080005400000000, 0.0042327900000000 ] - [ -0.0009827600000000, -0.0001408800000000, -0.0007329400000000 ] - [ 0.0004873300000000, 0.0000081000000000, 0.0001808000000000 ] - [ -0.0002217700000000, 0.0003774800000000, -0.0000170200000000 ] - [ -0.0007373700000000, -0.0015925000000000, -0.0000916800000000 ] - [ -0.0010347800000000, 0.0011350600000000, 0.0009334800000000 ] - [ -0.0008000500000000, -0.0004119000000000, -0.0003726200000000 ] - [ -0.0006720500000000, -0.0006327500000000, -0.0003630100000000 ] - [ -0.0009731600000000, -0.0001232200000000, -0.0002359000000000 ] - [ -0.0002354600000000, -0.0000564800000000, 0.0000236300000000 ] - [ -0.0003464600000000, -0.0003981500000000, -0.0008096500000000 ] - [ 0.0008453500000000, 0.0002662500000000, 0.0005987500000000 ] - [ 0.0008717200000000, -0.0000492600000000, 0.0002029200000000 ] - [ -0.0004500000000000, 0.0014526600000000, -0.0006557000000000 ] - [ -0.0038803900000000, 0.0018359500000000, 0.0002929200000000 ] - [ 0.0007589900000000, -0.0006135200000000, 0.0005457300000000 ] - [ -0.0000377000000000, 0.0000037000000000, -0.0000813300000000 ] - [ -0.0003442100000000, -0.0008356300000000, -0.0002733100000000 ] - [ 0.0015257200000000, -0.0009613000000000, -0.0010580800000000 ] - [ 0.0012010900000000, 0.0009406800000000, -0.0003390500000000 ] - [ -0.0029056500000000, 0.0010548000000000, 0.0026318900000000 ] - [ 0.0006278700000000, -0.0002389400000000, 0.0001777700000000 ] - [ -0.0003507300000000, -0.0002329400000000, 0.0001651200000000 ] - [ 0.0001288600000000, 0.0002626900000000, 0.0002206700000000 ] - [ 0.0002460800000000, -0.0004616100000000, -0.0002852300000000 ] - [ 0.0022080000000000, -0.0001743100000000, 0.0056417400000000 ] - [ 0.0011213500000000, 0.0003956200000000, 0.0002273400000000 ] - [ -0.0007336500000000, -0.0014237300000000, 0.0010671100000000 ] - [ 0.0001479300000000, -0.0000424100000000, -0.0001283600000000 ] - [ 0.0002008800000000, -0.0001790100000000, -0.0001186900000000 ] - [ -0.0002365600000000, 0.0001314900000000, 0.0002800500000000 ] - [ -0.0006016400000000, 0.0000167200000000, 0.0001736700000000 ] - [ 0.0000349000000000, -0.0001102500000000, 0.0001282800000000 ] - [ 0.0002792600000000, 0.0002571500000000, 0.0001799800000000 ] - [ -0.0000292200000000, -0.0007470900000000, -0.0003038600000000 ] - [ 0.0000219900000000, 0.0006582200000000, -0.0004682300000000 ] - [ 0.0003013500000000, -0.0004062700000000, -0.0002823300000000 ] - [ 0.0004799300000000, -0.0000521800000000, -0.0002069800000000 ] - [ 0.0001317600000000, -0.0005067800000000, 0.0000127800000000 ] - [ 0.0000275700000000, -0.0003748400000000, -0.0000089800000000 ] - [ -0.0782944300000000, 0.0043310100000000, -0.0097512600000000 ] - [ 0.0005643300000000, -0.0001066500000000, 0.0001448500000000 ] - [ 0.0077793100000000, 0.0039666900000000, -0.0064683500000000 ] - [ 0.0003652200000000, -0.0001216700000000, 0.0005786200000000 ] - [ 0.0144844100000000, -0.0059760900000000, 0.0091331600000000 ] - [ 0.0010991700000000, 0.0003103400000000, 0.0000270500000000 ] - [ 0.0003053400000000, -0.0007277600000000, 0.0003171000000000 ] - [ 0.0005703000000000, -0.0007515300000000, 0.0004153600000000 ] - [ 0.0013948200000000, 0.0008041100000000, 0.0001778500000000 ] - [ 0.0056992400000000, 0.0015023400000000, -0.0056899200000000 ] - [ 0.0006753400000000, 0.0005307600000000, -0.0000538600000000 ] - [ -0.0008375300000000, -0.0013264700000000, -0.0017613300000000 ] - [ -0.0006720600000000, -0.0009402600000000, 0.0000487500000000 ] - [ -0.0003701300000000, 0.0003560800000000, 0.0001479200000000 ] - [ -0.0005429300000000, 0.0001881300000000, -0.0001078800000000 ] - [ 0.0002190500000000, 0.0001031300000000, 0.0001042500000000 ] - [ 0.0007419900000000, 0.0006295900000000, 0.0000598300000000 ] - [ 0.0007877600000000, -0.0003463800000000, -0.0000490600000000 ] - [ -0.0004657000000000, -0.0000967400000000, 0.0006053900000000 ] - [ -0.0001451400000000, -0.0002787000000000, 0.0006840800000000 ] - [ -0.0000001600000000, 0.0000406100000000, 0.0000390600000000 ] - [ 0.0000830500000000, -0.0000769900000000, 0.0000662200000000 ] - [ -0.0000857000000000, 0.0004268800000000, 0.0001110100000000 ] - [ 0.0002852800000000, 0.0004524600000000, 0.0001919700000000 ] - [ -0.0018021700000000, 0.0006755200000000, -0.0021170200000000 ] - [ 0.0013259900000000, 0.0001543000000000, 0.0001154400000000 ] - [ -0.0003875800000000, 0.0003225100000000, -0.0007590300000000 ] - [ 0.0003876900000000, -0.0003644400000000, -0.0004093700000000 ] - [ -0.0015808200000000, -0.0018841000000000, 0.0009626500000000 ] - [ 0.0006469000000000, -0.0001016200000000, 0.0001508400000000 ] - [ -0.0011905000000000, 0.0013312400000000, -0.0003443400000000 ] - [ 0.0006613900000000, 0.0004891200000000, 0.0004083600000000 ] - [ 0.0007194400000000, -0.0004136900000000, -0.0002721100000000 ] - [ 0.0007161600000000, -0.0003503400000000, -0.0002779200000000 ] - [ -0.0003862000000000, -0.0009553200000000, -0.0020919000000000 ] - [ 0.0006996600000000, -0.0000875100000000, 0.0000895100000000 ] - [ 0.0004348700000000, -0.0011463300000000, 0.0011352700000000 ] - [ -0.0003096600000000, 0.0005249600000000, 0.0000381400000000 ] - [ 0.0001820000000000, -0.0005488200000000, -0.0002672400000000 ] - [ 0.0005356000000000, -0.0006447900000000, -0.0001730700000000 ] - [ 0.0002202400000000, -0.0008869700000000, -0.0003151700000000 ] - [ -0.0001571600000000, -0.0004255900000000, -0.0004417300000000 ] - [ -0.0003817900000000, 0.0005892000000000, 0.0001771100000000 ] - [ 0.0003582800000000, 0.0005404200000000, 0.0003658600000000 ] - [ 0.0010422900000000, 0.0019106600000000, 0.0007835100000000 ] - [ 0.0008881600000000, -0.0001637200000000, -0.0004125800000000 ] - [ -0.0004387800000000, -0.0000272300000000, 0.0001673600000000 ] - [ 0.0004498700000000, 0.0000778200000000, 0.0003452200000000 ] - [ 0.0001334800000000, 0.0002956000000000, -0.0001808900000000 ] - [ -0.0001800500000000, 0.0007187800000000, -0.0002290300000000 ] - [ 0.0000524500000000, -0.0000450600000000, 0.0001738600000000 ] - [ -0.0005635100000000, -0.0007551500000000, 0.0001280900000000 ] - [ 0.0005266400000000, -0.0001117900000000, 0.0000220200000000 ] - [ 0.0001933100000000, -0.0002377000000000, -0.0000521100000000 ] - [ 0.0001233400000000, 0.0006432100000000, -0.0000529500000000 ] - [ 0.0003252900000000, -0.0004751400000000, 0.0007808700000000 ] - [ 0.0002600900000000, -0.0004377800000000, 0.0006009800000000 ] - [ 0.0002582900000000, 0.0005178400000000, 0.0007909300000000 ] - [ 0.0004296100000000, 0.0006851500000000, -0.0002016200000000 ] - [ 0.0017934400000000, -0.0032747700000000, 0.0004589400000000 ] - [ 0.0006836000000000, 0.0004745300000000, -0.0001151300000000 ] - [ -0.0015980200000000, 0.0016424300000000, 0.0000587600000000 ] - [ -0.0000892500000000, 0.0005400000000000, 0.0003556300000000 ] - [ 0.0008024300000000, -0.0002569100000000, 0.0004715800000000 ]- atom: 81 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0006528500000000, -0.0003971500000000, 0.0001039500000000 ] - [ -0.0011302300000000, 0.0010660800000000, -0.0006694000000000 ] - [ -0.0004170400000000, 0.0000577100000000, -0.0002679200000000 ] - [ 0.0005332400000000, 0.0002491700000000, -0.0000128100000000 ] - [ 0.0008641900000000, -0.0001120700000000, 0.0000115900000000 ] - [ -0.0005053800000000, 0.0018585100000000, -0.0000500700000000 ] - [ -0.0073421000000000, 0.0004728600000000, -0.0007273200000000 ] - [ 0.0015219800000000, 0.0005669300000000, 0.0007929900000000 ] - [ -0.0002972700000000, 0.0001273900000000, 0.0004343900000000 ] - [ -0.0007317300000000, -0.0005793300000000, 0.0002694900000000 ] - [ -0.0094213500000000, 0.0028560500000000, 0.0018852800000000 ] - [ 0.0021386400000000, 0.0004504400000000, 0.0000789000000000 ] - [ -0.0017164300000000, 0.0010877700000000, -0.0003083300000000 ] - [ 0.0010407100000000, 0.0006352500000000, 0.0003778100000000 ] - [ 0.0005053400000000, 0.0003106500000000, -0.0002882100000000 ] - [ -0.0001496400000000, -0.0002795200000000, -0.0004135800000000 ] - [ 0.0020678800000000, 0.0010528600000000, 0.0004065800000000 ] - [ -0.0162502400000000, 0.0063600700000000, -0.0009552400000000 ] - [ 0.0014736100000000, 0.0011566400000000, 0.0007154600000000 ] - [ -0.0015144800000000, -0.0004422700000000, -0.0008849300000000 ] - [ -0.0014839100000000, 0.0005631200000000, -0.0002276600000000 ] - [ 0.0012869800000000, 0.0002889800000000, 0.0005291300000000 ] - [ -0.0003272900000000, 0.0001210200000000, 0.0001149700000000 ] - [ 0.0006029100000000, 0.0004067200000000, 0.0003673400000000 ] - [ 0.0009007800000000, -0.0005078800000000, -0.0000948100000000 ] - [ 0.0008454200000000, 0.0025884000000000, 0.0012169700000000 ] - [ 0.0002117000000000, -0.0011977100000000, -0.0002701400000000 ] - [ 0.0010404200000000, -0.0001134400000000, 0.0003806800000000 ] - [ 0.0030595600000000, -0.0030125300000000, 0.0007736400000000 ] - [ 0.0015074000000000, 0.0018537800000000, -0.0003239800000000 ] - [ 0.0000162100000000, -0.0006161300000000, -0.0002241500000000 ] - [ 0.0007848800000000, -0.0010407500000000, -0.0000385700000000 ] - [ -0.0003884500000000, 0.0002379600000000, -0.0026083300000000 ] - [ 0.0023523300000000, -0.0006205200000000, 0.0010855500000000 ] - [ -0.0007766000000000, -0.0003659600000000, 0.0005624300000000 ] - [ -0.0008753100000000, -0.0001227300000000, 0.0005163600000000 ] - [ -0.0001539400000000, 0.0005019000000000, -0.0001968900000000 ] - [ -0.0003215800000000, -0.0017291900000000, 0.0009079700000000 ] - [ -0.0002680700000000, -0.0014803200000000, 0.0000860000000000 ] - [ 0.0008796100000000, -0.0000695700000000, 0.0000301700000000 ] - [ -0.0236337100000000, -0.0091918700000000, -0.0058443900000000 ] - [ 0.0026981600000000, -0.0000271200000000, -0.0003266700000000 ] - [ -0.0001876300000000, 0.0000705700000000, 0.0000091300000000 ] - [ 0.0005208700000000, -0.0002970900000000, 0.0002055900000000 ] - [ 0.0001374200000000, 0.0009042800000000, 0.0002408900000000 ] - [ 0.0004362500000000, -0.0018120000000000, -0.0007709900000000 ] - [ -0.0006087700000000, -0.0009580000000000, -0.0003543900000000 ] - [ -0.0007322900000000, -0.0007358800000000, -0.0003624500000000 ] - [ -0.0001467600000000, 0.0001855300000000, 0.0000727800000000 ] - [ -0.0008829100000000, 0.0001217900000000, -0.0001864900000000 ] - [ 0.0000209500000000, 0.0003675900000000, 0.0010755800000000 ] - [ -0.0011794500000000, -0.0002957100000000, -0.0003403300000000 ] - [ -0.0006383200000000, 0.0004252200000000, -0.0002229600000000 ] - [ 0.0006680600000000, -0.0010779200000000, 0.0006305900000000 ] - [ 0.0038531600000000, -0.0029818900000000, 0.0004578900000000 ] - [ -0.0007856200000000, -0.0006102600000000, 0.0002046700000000 ] - [ -0.0003516500000000, -0.0004393200000000, -0.0001655400000000 ] - [ -0.0000489400000000, 0.0003956300000000, 0.0000242600000000 ] - [ -0.0008968800000000, 0.0007083200000000, -0.0002148500000000 ] - [ -0.0005743800000000, -0.0011888200000000, -0.0009371100000000 ] - [ 0.0028024100000000, -0.0017218100000000, -0.0025617800000000 ] - [ -0.0007536400000000, -0.0004574400000000, -0.0001753700000000 ] - [ 0.0001459200000000, 0.0005241100000000, 0.0001749300000000 ] - [ -0.0003350900000000, 0.0000330300000000, 0.0001174000000000 ] - [ -0.0010995500000000, -0.0008062100000000, -0.0004346600000000 ] - [ -0.0030482400000000, -0.0010905500000000, -0.0062874200000000 ] - [ 0.0000000900000000, -0.0003304400000000, -0.0000628700000000 ] - [ 0.0018371600000000, 0.0014841800000000, -0.0008967300000000 ] - [ 0.0001892700000000, 0.0000098900000000, -0.0001279900000000 ] - [ 0.0001343100000000, 0.0001449500000000, -0.0001383300000000 ] - [ -0.0005467800000000, 0.0002177500000000, 0.0001908100000000 ] - [ -0.0001844200000000, 0.0003313800000000, 0.0002963800000000 ] - [ 0.0002317400000000, 0.0005296700000000, 0.0001413500000000 ] - [ -0.0000147300000000, 0.0001640400000000, 0.0000888900000000 ] - [ -0.0004427300000000, 0.0010403700000000, -0.0005967000000000 ] - [ -0.0005023700000000, -0.0003653000000000, -0.0004353300000000 ] - [ 0.0003968000000000, 0.0001928600000000, -0.0001916700000000 ] - [ 0.0002159200000000, -0.0001597100000000, -0.0002675700000000 ] - [ -0.0000020900000000, -0.0001914700000000, -0.0000142500000000 ] - [ 0.0000995800000000, -0.0003242200000000, 0.0000069900000000 ] - [ 0.0783232500000000, -0.0030538600000000, 0.0100368000000000 ] - [ -0.0013326800000000, -0.0000335600000000, -0.0001215200000000 ] - [ -0.0093153600000000, -0.0046383700000000, 0.0071366100000000 ] - [ -0.0017603400000000, -0.0004705300000000, -0.0000127800000000 ] - [ -0.0148171900000000, 0.0062379000000000, -0.0094437600000000 ] - [ -0.0011628000000000, -0.0001535100000000, -0.0001342700000000 ] - [ 0.0005507800000000, -0.0005421100000000, 0.0004045600000000 ] - [ 0.0002864700000000, -0.0005186800000000, 0.0003066000000000 ] - [ -0.0016096900000000, 0.0002850900000000, -0.0004925400000000 ] - [ -0.0058162800000000, -0.0004016200000000, 0.0052764900000000 ] - [ -0.0008349300000000, -0.0002231300000000, -0.0004688700000000 ] - [ 0.0006652600000000, 0.0016270900000000, 0.0012242200000000 ] - [ -0.0006536200000000, 0.0012844300000000, 0.0000637600000000 ] - [ -0.0009592400000000, -0.0000064200000000, -0.0000341200000000 ] - [ 0.0003081200000000, 0.0001884200000000, 0.0001279000000000 ] - [ -0.0004489400000000, 0.0002693600000000, -0.0000828600000000 ] - [ 0.0005895300000000, -0.0002811400000000, -0.0001726400000000 ] - [ 0.0005411300000000, 0.0006918000000000, -0.0000650600000000 ] - [ -0.0001593700000000, -0.0001587800000000, 0.0006735500000000 ] - [ -0.0004800200000000, 0.0000211000000000, 0.0005944600000000 ] - [ 0.0000693200000000, 0.0001116300000000, 0.0000690500000000 ] - [ -0.0000158500000000, 0.0002273800000000, 0.0000414400000000 ] - [ 0.0002975900000000, 0.0006617100000000, 0.0002037700000000 ] - [ -0.0000718200000000, 0.0006363700000000, 0.0001233100000000 ] - [ 0.0025815800000000, -0.0003185500000000, 0.0016412800000000 ] - [ -0.0005378600000000, 0.0001958900000000, -0.0005852100000000 ] - [ 0.0001878700000000, -0.0002567500000000, -0.0005901700000000 ] - [ -0.0005862600000000, 0.0004262000000000, -0.0009379900000000 ] - [ 0.0019927500000000, 0.0014104300000000, -0.0007110000000000 ] - [ -0.0002549000000000, -0.0003318100000000, 0.0000968800000000 ] - [ 0.0012233000000000, -0.0002289500000000, 0.0007687400000000 ] - [ -0.0006222100000000, 0.0006073500000000, 0.0000144700000000 ] - [ 0.0006829500000000, -0.0001817300000000, -0.0002905600000000 ] - [ 0.0006842200000000, -0.0002451500000000, -0.0002853300000000 ] - [ 0.0007771300000000, 0.0005409300000000, 0.0018824700000000 ] - [ -0.0003036600000000, -0.0003122200000000, -0.0003179700000000 ] - [ -0.0011418000000000, 0.0001113000000000, -0.0007025100000000 ] - [ -0.0004000800000000, -0.0015557400000000, 0.0003961600000000 ] - [ 0.0005256300000000, -0.0004890400000000, -0.0001706000000000 ] - [ 0.0001727400000000, -0.0003952300000000, -0.0002644200000000 ] - [ -0.0001882300000000, -0.0003362600000000, -0.0004338000000000 ] - [ 0.0001864500000000, -0.0007991100000000, -0.0003084500000000 ] - [ 0.0004200800000000, 0.0006349600000000, 0.0003812000000000 ] - [ -0.0003151600000000, 0.0006811900000000, 0.0001937000000000 ] - [ -0.0013003400000000, -0.0014920000000000, -0.0010552400000000 ] - [ -0.0011453100000000, 0.0005842400000000, 0.0001387900000000 ] - [ 0.0005982600000000, 0.0003305400000000, 0.0003554100000000 ] - [ -0.0002876900000000, 0.0002300500000000, 0.0001784600000000 ] - [ -0.0001684000000000, 0.0008016700000000, -0.0002395400000000 ] - [ 0.0001420900000000, 0.0003768800000000, -0.0001920100000000 ] - [ -0.0004460600000000, -0.0003571200000000, 0.0000558600000000 ] - [ 0.0001636500000000, 0.0003500000000000, 0.0001009300000000 ] - [ 0.0002466000000000, -0.0000299500000000, -0.0000433300000000 ] - [ 0.0005771500000000, 0.0000942700000000, 0.0000303200000000 ] - [ -0.0008155000000000, -0.0008526600000000, 0.0005347700000000 ] - [ -0.0010206900000000, 0.0002634800000000, -0.0003021600000000 ] - [ -0.0000535800000000, 0.0005033000000000, 0.0007507000000000 ] - [ -0.0000593700000000, -0.0004509300000000, 0.0005596700000000 ] - [ -0.0002217200000000, -0.0003913300000000, -0.0001356800000000 ] - [ -0.0015646600000000, 0.0035275000000000, -0.0007879500000000 ] - [ -0.0007225200000000, 0.0007496300000000, -0.0004431400000000 ] - [ 0.0015456900000000, -0.0004222300000000, -0.0006219500000000 ] - [ 0.0005695900000000, -0.0002478800000000, 0.0005477800000000 ] - [ -0.0003217700000000, 0.0005429100000000, 0.0004307000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005181500000000, 0.0000288400000000, 0.0000124000000000 ] - [ -0.0014661900000000, -0.0007558800000000, -0.0007930800000000 ] - [ -0.0001056000000000, -0.0014877800000000, -0.0001043000000000 ] - [ 0.0001345400000000, -0.0003476400000000, -0.0001137200000000 ] - [ 0.0009470400000000, 0.0001587300000000, 0.0000827000000000 ] - [ -0.0015237400000000, -0.0009001600000000, -0.0003302700000000 ] - [ -0.0006566600000000, 0.0092181300000000, -0.0015082100000000 ] - [ 0.0000174200000000, 0.0011503800000000, 0.0004176000000000 ] - [ -0.0007048800000000, -0.0008867700000000, 0.0002599900000000 ] - [ -0.0002712000000000, -0.0013714700000000, 0.0004316300000000 ] - [ -0.0031711800000000, 0.0106430500000000, 0.0023214300000000 ] - [ 0.0005063900000000, 0.0009119100000000, -0.0003597100000000 ] - [ -0.0002893800000000, -0.0015206200000000, -0.0021091400000000 ] - [ 0.0002617100000000, 0.0006556900000000, 0.0001564300000000 ] - [ 0.0001310200000000, -0.0005421500000000, -0.0003240900000000 ] - [ 0.0004584100000000, -0.0013825700000000, -0.0002713200000000 ] - [ -0.0005750900000000, 0.0014914300000000, 0.0000825400000000 ] - [ -0.0085602200000000, 0.0127928700000000, -0.0005455800000000 ] - [ -0.0005702600000000, 0.0018376800000000, -0.0004574000000000 ] - [ -0.0000002100000000, 0.0030223300000000, 0.0001048500000000 ] - [ -0.0006299900000000, -0.0024915700000000, 0.0019732500000000 ] - [ 0.0005109600000000, 0.0001390400000000, 0.0003329200000000 ] - [ 0.0000651600000000, -0.0013083600000000, 0.0001599600000000 ] - [ 0.0001781600000000, -0.0002010100000000, 0.0002550500000000 ] - [ 0.0009788500000000, 0.0009285100000000, -0.0000005200000000 ] - [ -0.0018213900000000, 0.0018550900000000, -0.0010908500000000 ] - [ 0.0013832300000000, -0.0020024600000000, 0.0001078200000000 ] - [ 0.0001463700000000, -0.0005893500000000, 0.0000818300000000 ] - [ 0.0012913300000000, -0.0000955500000000, 0.0006667200000000 ] - [ -0.0018154600000000, 0.0008017000000000, 0.0001955600000000 ] - [ 0.0001271100000000, -0.0022307200000000, -0.0002212500000000 ] - [ 0.0005700800000000, -0.0013637000000000, -0.0000810900000000 ] - [ 0.0004903500000000, 0.0022770400000000, 0.0001313500000000 ] - [ 0.0011837200000000, 0.0002332400000000, 0.0006501100000000 ] - [ -0.0006104600000000, -0.0010375500000000, 0.0006137100000000 ] - [ -0.0010814900000000, -0.0010663200000000, 0.0004872500000000 ] - [ -0.0011184400000000, -0.0004986000000000, -0.0003109400000000 ] - [ 0.0003925700000000, -0.0011759500000000, 0.0009189300000000 ] - [ 0.0015974900000000, -0.0032286800000000, 0.0003932700000000 ] - [ -0.0000213400000000, -0.0005422900000000, -0.0001479300000000 ] - [ 0.0089604100000000, 0.0184049800000000, 0.0029557600000000 ] - [ 0.0014828200000000, 0.0008641000000000, -0.0005377200000000 ] - [ -0.0001058200000000, -0.0012309600000000, 0.0000516500000000 ] - [ 0.0003195700000000, -0.0006426200000000, 0.0001443700000000 ] - [ -0.0013649900000000, -0.0007392400000000, -0.0002190800000000 ] - [ 0.0009087700000000, -0.0012291600000000, -0.0004648700000000 ] - [ -0.0004615300000000, -0.0016077400000000, -0.0003293100000000 ] - [ -0.0009067200000000, -0.0017261300000000, -0.0004386100000000 ] - [ -0.0004685700000000, 0.0009506200000000, -0.0000454600000000 ] - [ -0.0006477200000000, 0.0002678600000000, -0.0001106300000000 ] - [ -0.0011554200000000, -0.0020442900000000, -0.0000604900000000 ] - [ -0.0000639700000000, -0.0006411100000000, 0.0001375400000000 ] - [ -0.0003181300000000, 0.0000018800000000, -0.0001701200000000 ] - [ 0.0017488600000000, 0.0006824500000000, -0.0002753300000000 ] - [ 0.0020690800000000, 0.0131253400000000, 0.0019026900000000 ] - [ -0.0001646800000000, -0.0007748600000000, 0.0003556800000000 ] - [ 0.0000336200000000, 0.0001560100000000, -0.0000893500000000 ] - [ -0.0003539800000000, 0.0005383800000000, -0.0000510300000000 ] - [ -0.0008886900000000, -0.0004482300000000, -0.0007996000000000 ] - [ 0.0011632900000000, -0.0006807100000000, -0.0004625400000000 ] - [ 0.0012746300000000, -0.0015117800000000, 0.0076367000000000 ] - [ -0.0002624800000000, -0.0008208900000000, -0.0000472400000000 ] - [ -0.0002359500000000, 0.0011491700000000, -0.0001560300000000 ] - [ 0.0000388700000000, 0.0003232400000000, 0.0002193000000000 ] - [ -0.0006271700000000, -0.0014529100000000, -0.0004641500000000 ] - [ -0.0003036400000000, -0.0041999800000000, -0.0011143200000000 ] - [ 0.0007034600000000, -0.0001560500000000, 0.0001072000000000 ] - [ 0.0001077200000000, 0.0006805100000000, -0.0016466500000000 ] - [ 0.0002882900000000, 0.0005033100000000, -0.0000886800000000 ] - [ 0.0001354000000000, 0.0004678600000000, -0.0001447500000000 ] - [ -0.0003691700000000, 0.0005684900000000, 0.0002612500000000 ] - [ -0.0002507500000000, 0.0008859700000000, 0.0002885900000000 ] - [ -0.0001434100000000, 0.0010308800000000, 0.0000618700000000 ] - [ 0.0002112600000000, 0.0005305500000000, 0.0001674700000000 ] - [ -0.0012511300000000, 0.0004057300000000, -0.0008365100000000 ] - [ 0.0003525300000000, 0.0002186900000000, -0.0003239600000000 ] - [ 0.0000778700000000, 0.0006232100000000, -0.0002793700000000 ] - [ 0.0004646400000000, 0.0002219000000000, -0.0002266800000000 ] - [ -0.0000559400000000, 0.0001364600000000, -0.0000322900000000 ] - [ 0.0001263400000000, 0.0003288200000000, 0.0000166500000000 ] - [ 0.0035781400000000, -0.0608332400000000, -0.0056656200000000 ] - [ -0.0004220000000000, -0.0005464400000000, 0.0000119400000000 ] - [ 0.0037570800000000, -0.0026502400000000, -0.0024910000000000 ] - [ -0.0011674600000000, -0.0009038400000000, 0.0001392700000000 ] - [ -0.0055454700000000, -0.0027915300000000, -0.0027779500000000 ] - [ 0.0001125200000000, -0.0005839400000000, 0.0000104300000000 ] - [ 0.0003606800000000, 0.0002116800000000, 0.0002970600000000 ] - [ 0.0003660400000000, -0.0002381400000000, 0.0003264400000000 ] - [ -0.0004710700000000, -0.0002478600000000, -0.0001985400000000 ] - [ 0.0005921200000000, -0.0030514400000000, 0.0002877000000000 ] - [ 0.0001660200000000, 0.0000039500000000, -0.0001989900000000 ] - [ -0.0009997700000000, 0.0006731300000000, 0.0009404600000000 ] - [ -0.0014261600000000, 0.0017036900000000, 0.0001507300000000 ] - [ -0.0004708900000000, 0.0002133900000000, 0.0000959700000000 ] - [ -0.0002270200000000, 0.0014572400000000, -0.0000034000000000 ] - [ -0.0002046000000000, 0.0004247500000000, -0.0000261400000000 ] - [ 0.0009999200000000, 0.0003833300000000, 0.0001523000000000 ] - [ 0.0003482700000000, 0.0005022300000000, -0.0001630200000000 ] - [ -0.0001062400000000, 0.0005088000000000, 0.0007794600000000 ] - [ -0.0004045500000000, 0.0001711800000000, 0.0006125500000000 ] - [ 0.0001854600000000, 0.0006726900000000, 0.0000875700000000 ] - [ 0.0000208700000000, 0.0005462500000000, 0.0000580500000000 ] - [ 0.0001045700000000, 0.0014656800000000, 0.0002030300000000 ] - [ 0.0000661700000000, 0.0009286100000000, 0.0001662800000000 ] - [ 0.0009203600000000, -0.0029726400000000, -0.0000206500000000 ] - [ 0.0003668300000000, -0.0002939300000000, -0.0002574300000000 ] - [ 0.0003089500000000, 0.0004179100000000, -0.0005936600000000 ] - [ -0.0004720300000000, 0.0003657400000000, -0.0008826700000000 ] - [ -0.0022137300000000, 0.0069157900000000, -0.0019602100000000 ] - [ 0.0002334300000000, -0.0004523700000000, 0.0001160700000000 ] - [ 0.0001771700000000, 0.0002485300000000, 0.0001554400000000 ] - [ -0.0001185900000000, 0.0003898400000000, 0.0001553500000000 ] - [ 0.0005912000000000, 0.0001915300000000, -0.0003156800000000 ] - [ 0.0007311600000000, 0.0001815700000000, -0.0002708700000000 ] - [ 0.0005462000000000, 0.0017584100000000, 0.0005840300000000 ] - [ 0.0001449500000000, -0.0003996700000000, -0.0001149500000000 ] - [ -0.0007954500000000, -0.0008057500000000, -0.0000645100000000 ] - [ 0.0001473200000000, -0.0013726700000000, 0.0004128400000000 ] - [ 0.0005408600000000, 0.0003635400000000, -0.0002441900000000 ] - [ 0.0002901400000000, -0.0001923500000000, -0.0002331700000000 ] - [ -0.0001801600000000, -0.0002348800000000, -0.0004349400000000 ] - [ 0.0002484900000000, 0.0001058400000000, -0.0003100700000000 ] - [ -0.0000863200000000, 0.0014492500000000, 0.0002338700000000 ] - [ -0.0000449800000000, 0.0008269600000000, 0.0002681300000000 ] - [ 0.0014145000000000, -0.0000368000000000, 0.0005757300000000 ] - [ -0.0009277100000000, -0.0002078200000000, 0.0001595700000000 ] - [ 0.0003088200000000, 0.0013762400000000, 0.0003189200000000 ] - [ -0.0000498600000000, 0.0003800800000000, 0.0002275900000000 ] - [ -0.0001737200000000, 0.0009078800000000, -0.0002359100000000 ] - [ 0.0002524600000000, 0.0013121800000000, -0.0001298500000000 ] - [ -0.0000824600000000, 0.0000765100000000, 0.0001681600000000 ] - [ -0.0004262600000000, 0.0006278900000000, -0.0000638100000000 ] - [ 0.0004273500000000, 0.0003436300000000, -0.0000265500000000 ] - [ 0.0005529100000000, 0.0006599000000000, 0.0000050600000000 ] - [ 0.0002832700000000, -0.0003248200000000, 0.0004664300000000 ] - [ -0.0008341400000000, -0.0005555400000000, -0.0002200300000000 ] - [ -0.0006018800000000, 0.0001285400000000, 0.0006038900000000 ] - [ 0.0007682900000000, 0.0001115700000000, 0.0009032000000000 ] - [ 0.0005669100000000, 0.0001187700000000, -0.0001778200000000 ] - [ -0.0012387900000000, 0.0023627000000000, -0.0006176400000000 ] - [ -0.0003932900000000, 0.0004436100000000, -0.0003357800000000 ] - [ 0.0018570100000000, 0.0019227800000000, 0.0013017900000000 ] - [ 0.0009581000000000, 0.0010930900000000, 0.0006535800000000 ] - [ -0.0001743000000000, 0.0004708000000000, 0.0004462600000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009252800000000, 0.0006143600000000, -0.0005250600000000 ] - [ 0.0010541500000000, 0.0013965500000000, 0.0002772200000000 ] - [ 0.0003155300000000, 0.0022324200000000, -0.0001577400000000 ] - [ 0.0000758100000000, 0.0010957500000000, -0.0001493900000000 ] - [ -0.0008820300000000, 0.0012983700000000, -0.0002242600000000 ] - [ 0.0015772400000000, 0.0023522000000000, 0.0001872900000000 ] - [ 0.0002753400000000, -0.0084966800000000, 0.0019735600000000 ] - [ -0.0004292200000000, -0.0005585100000000, 0.0002752000000000 ] - [ -0.0003416400000000, 0.0008879700000000, 0.0004429400000000 ] - [ -0.0007778600000000, 0.0013740000000000, 0.0002709200000000 ] - [ 0.0039493400000000, -0.0103378100000000, -0.0027235700000000 ] - [ 0.0005404800000000, -0.0009059300000000, -0.0003425100000000 ] - [ 0.0002277200000000, 0.0029701100000000, 0.0022705300000000 ] - [ -0.0003264900000000, 0.0007949100000000, -0.0000140400000000 ] - [ 0.0002799400000000, 0.0011294300000000, -0.0003688500000000 ] - [ -0.0000499300000000, 0.0019723500000000, -0.0004219500000000 ] - [ 0.0003570900000000, -0.0007474800000000, 0.0001801800000000 ] - [ 0.0088755800000000, -0.0123626200000000, 0.0008755700000000 ] - [ 0.0001872200000000, -0.0008189100000000, -0.0000619300000000 ] - [ -0.0003699900000000, -0.0020165900000000, -0.0006180900000000 ] - [ 0.0010440300000000, 0.0031347100000000, -0.0014759100000000 ] - [ -0.0001053500000000, 0.0004962300000000, 0.0001793100000000 ] - [ 0.0003121800000000, 0.0023279200000000, 0.0003551100000000 ] - [ 0.0001980500000000, 0.0012235900000000, 0.0002609000000000 ] - [ -0.0012790000000000, -0.0008480000000000, -0.0001853900000000 ] - [ 0.0015181500000000, -0.0017644800000000, 0.0009053600000000 ] - [ -0.0004032300000000, 0.0012899700000000, 0.0002368200000000 ] - [ 0.0008313400000000, -0.0001187700000000, 0.0002637800000000 ] - [ -0.0020785600000000, -0.0012789800000000, -0.0004074000000000 ] - [ 0.0010468100000000, -0.0021821200000000, 0.0000641300000000 ] - [ 0.0006491900000000, 0.0008381500000000, -0.0000382200000000 ] - [ 0.0002028700000000, -0.0000307400000000, -0.0001798900000000 ] - [ 0.0009132200000000, -0.0036485800000000, 0.0005923700000000 ] - [ 0.0002221900000000, -0.0016066800000000, 0.0000679100000000 ] - [ -0.0011098500000000, 0.0008790200000000, 0.0004392000000000 ] - [ -0.0006446200000000, 0.0009082100000000, 0.0005648700000000 ] - [ 0.0001408900000000, -0.0002206200000000, -0.0000312400000000 ] - [ -0.0013695400000000, 0.0004615900000000, -0.0012647100000000 ] - [ -0.0009925200000000, 0.0025346500000000, -0.0005303500000000 ] - [ 0.0006111600000000, -0.0001395900000000, 0.0000076700000000 ] - [ -0.0079818500000000, -0.0189919100000000, -0.0043207100000000 ] - [ 0.0002410300000000, -0.0010326300000000, -0.0005200500000000 ] - [ 0.0004094100000000, 0.0013086400000000, 0.0001395500000000 ] - [ -0.0000200900000000, 0.0007185000000000, 0.0000452400000000 ] - [ 0.0007728900000000, 0.0000420000000000, 0.0003697500000000 ] - [ -0.0015093600000000, 0.0005416100000000, 0.0006178500000000 ] - [ -0.0009441100000000, 0.0002368700000000, -0.0003976200000000 ] - [ -0.0005027900000000, 0.0003547200000000, -0.0002885900000000 ] - [ -0.0006503000000000, -0.0008853000000000, -0.0001173000000000 ] - [ -0.0004715300000000, -0.0002043400000000, -0.0000523500000000 ] - [ 0.0008141600000000, 0.0019989200000000, 0.0003220100000000 ] - [ -0.0002740000000000, 0.0006065800000000, 0.0001194200000000 ] - [ 0.0005503300000000, 0.0003679800000000, 0.0001486700000000 ] - [ -0.0015120800000000, -0.0003145000000000, 0.0002497900000000 ] - [ -0.0021538500000000, -0.0146412800000000, -0.0011878800000000 ] - [ 0.0001363400000000, -0.0004471300000000, 0.0003942600000000 ] - [ -0.0004249300000000, -0.0005901100000000, -0.0001576400000000 ] - [ -0.0000362200000000, -0.0009738600000000, -0.0001965500000000 ] - [ 0.0015129000000000, 0.0001851700000000, -0.0004844200000000 ] - [ -0.0005364900000000, 0.0004193600000000, -0.0008158300000000 ] - [ -0.0014109500000000, 0.0008491400000000, -0.0076343800000000 ] - [ 0.0001347300000000, 0.0001237300000000, 0.0000494400000000 ] - [ 0.0000284200000000, -0.0008517000000000, 0.0004902600000000 ] - [ -0.0002446600000000, -0.0000292800000000, 0.0001188600000000 ] - [ -0.0002268600000000, 0.0001815900000000, -0.0002570900000000 ] - [ -0.0005830300000000, 0.0029339300000000, 0.0003664900000000 ] - [ 0.0004174700000000, 0.0002230200000000, 0.0000567400000000 ] - [ 0.0010121100000000, -0.0006128100000000, 0.0018183200000000 ] - [ 0.0000468500000000, -0.0005354900000000, -0.0001684200000000 ] - [ 0.0002012000000000, -0.0005009500000000, -0.0001119900000000 ] - [ -0.0004156600000000, -0.0002193500000000, 0.0002091400000000 ] - [ -0.0005332600000000, -0.0005364200000000, 0.0001823000000000 ] - [ 0.0004060600000000, -0.0006086000000000, 0.0002066500000000 ] - [ 0.0000542800000000, -0.0001104900000000, 0.0001014700000000 ] - [ 0.0007670600000000, -0.0001205900000000, -0.0000687700000000 ] - [ -0.0008289000000000, 0.0000698400000000, -0.0005784700000000 ] - [ 0.0006169800000000, -0.0008346500000000, -0.0001951500000000 ] - [ 0.0002328200000000, -0.0004352500000000, -0.0002474200000000 ] - [ 0.0001833700000000, -0.0008348000000000, 0.0000301800000000 ] - [ 0.0000023500000000, -0.0010269400000000, -0.0000183400000000 ] - [ -0.0038050400000000, 0.0612748600000000, 0.0058807400000000 ] - [ -0.0003477200000000, 0.0004038800000000, 0.0000104900000000 ] - [ -0.0051306200000000, 0.0020878900000000, 0.0030294800000000 ] - [ -0.0002317700000000, 0.0003098800000000, 0.0004252400000000 ] - [ 0.0055436600000000, 0.0028736700000000, 0.0026993200000000 ] - [ -0.0001823800000000, 0.0007361400000000, -0.0001183400000000 ] - [ 0.0004946600000000, -0.0014802900000000, 0.0004243900000000 ] - [ 0.0004900500000000, -0.0010318400000000, 0.0003953300000000 ] - [ 0.0002642700000000, 0.0013374100000000, -0.0001152700000000 ] - [ -0.0008459200000000, 0.0041391100000000, -0.0005861300000000 ] - [ -0.0003261700000000, 0.0003058500000000, -0.0003235000000000 ] - [ 0.0008396000000000, -0.0003621400000000, -0.0014694200000000 ] - [ 0.0000928200000000, -0.0013535600000000, -0.0000347400000000 ] - [ -0.0008578100000000, 0.0001331900000000, 0.0000180000000000 ] - [ -0.0000049000000000, -0.0010876300000000, 0.0000235700000000 ] - [ -0.0000273200000000, -0.0000504300000000, 0.0000470200000000 ] - [ 0.0003294100000000, -0.0000321900000000, -0.0002663500000000 ] - [ 0.0009817500000000, -0.0001531300000000, 0.0000496200000000 ] - [ -0.0005206100000000, -0.0007652200000000, 0.0004980800000000 ] - [ -0.0002206100000000, -0.0004273200000000, 0.0006661100000000 ] - [ -0.0001185800000000, -0.0005205500000000, 0.0000200700000000 ] - [ 0.0000476900000000, -0.0003943700000000, 0.0000498800000000 ] - [ 0.0001073600000000, -0.0003760400000000, 0.0001118700000000 ] - [ 0.0001462700000000, 0.0001607200000000, 0.0001487700000000 ] - [ -0.0001314700000000, 0.0033110400000000, -0.0004563900000000 ] - [ 0.0004201500000000, 0.0006422700000000, -0.0002122400000000 ] - [ -0.0005124600000000, -0.0003505000000000, -0.0007571000000000 ] - [ 0.0002718900000000, -0.0003004300000000, -0.0004668100000000 ] - [ 0.0025557800000000, -0.0072157400000000, 0.0021647000000000 ] - [ 0.0001583100000000, 0.0000147100000000, 0.0001310700000000 ] - [ -0.0001453900000000, 0.0008584500000000, 0.0002669500000000 ] - [ 0.0001557700000000, 0.0007083100000000, 0.0002667100000000 ] - [ 0.0008091200000000, -0.0007868200000000, -0.0002476600000000 ] - [ 0.0006705800000000, -0.0007768900000000, -0.0002919800000000 ] - [ -0.0001496100000000, -0.0021580000000000, -0.0007970000000000 ] - [ 0.0002504300000000, -0.0000041800000000, -0.0001134000000000 ] - [ 0.0000908400000000, -0.0002389900000000, 0.0005080000000000 ] - [ -0.0008544000000000, 0.0003261700000000, 0.0000267300000000 ] - [ 0.0001656000000000, -0.0014028900000000, -0.0001931800000000 ] - [ 0.0004178200000000, -0.0008461700000000, -0.0002045000000000 ] - [ 0.0002103600000000, -0.0009896900000000, -0.0003151600000000 ] - [ -0.0002161500000000, -0.0013290600000000, -0.0004396300000000 ] - [ 0.0001270900000000, -0.0002271500000000, 0.0003257200000000 ] - [ 0.0000862000000000, 0.0003962600000000, 0.0002908200000000 ] - [ -0.0016745800000000, 0.0004674700000000, -0.0008438800000000 ] - [ 0.0006671800000000, 0.0006310900000000, -0.0004320800000000 ] - [ -0.0001458300000000, -0.0010639200000000, 0.0002051300000000 ] - [ 0.0002107500000000, -0.0000738500000000, 0.0002956200000000 ] - [ 0.0001365100000000, 0.0001880500000000, -0.0001846200000000 ] - [ -0.0002875500000000, -0.0002146900000000, -0.0002898600000000 ] - [ -0.0003127500000000, -0.0004768800000000, 0.0000608500000000 ] - [ 0.0000312300000000, -0.0010302600000000, 0.0002936100000000 ] - [ 0.0003445000000000, -0.0004857800000000, 0.0000048700000000 ] - [ 0.0002199800000000, -0.0008019000000000, -0.0000266300000000 ] - [ -0.0009754000000000, 0.0001178700000000, 0.0000083900000000 ] - [ 0.0001368700000000, 0.0003471000000000, 0.0006964300000000 ] - [ 0.0008001700000000, -0.0000661300000000, 0.0007470000000000 ] - [ -0.0005641300000000, -0.0000484100000000, 0.0004490500000000 ] - [ -0.0003604000000000, 0.0001799400000000, -0.0001591900000000 ] - [ 0.0014460000000000, -0.0020758400000000, 0.0002812000000000 ] - [ 0.0003515900000000, 0.0007763000000000, -0.0002223100000000 ] - [ -0.0018881100000000, -0.0006937100000000, -0.0018461000000000 ] - [ -0.0004870700000000, -0.0008063000000000, 0.0002480000000000 ] - [ 0.0006523000000000, -0.0001812700000000, 0.0004568900000000 ]- atom: 81 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0001981100000000, 0.0003721300000000, -0.0002948500000000 ] - [ -0.0000032900000000, 0.0003512100000000, -0.0011987000000000 ] - [ 0.0000628500000000, 0.0003663200000000, -0.0001474100000000 ] - [ 0.0001356100000000, 0.0003327000000000, -0.0001233900000000 ] - [ 0.0002951400000000, 0.0005282100000000, 0.0000305700000000 ] - [ -0.0002266800000000, 0.0007590500000000, 0.0007251600000000 ] - [ -0.0008427600000000, -0.0005862500000000, 0.0078703800000000 ] - [ -0.0001294000000000, 0.0003475900000000, 0.0002537300000000 ] - [ -0.0005438500000000, -0.0000692700000000, 0.0003442600000000 ] - [ -0.0004933700000000, -0.0000795400000000, 0.0002968800000000 ] - [ -0.0053232200000000, 0.0036584800000000, 0.0066498500000000 ] - [ 0.0005741200000000, 0.0000462800000000, -0.0001986100000000 ] - [ -0.0000486100000000, -0.0005923400000000, -0.0000697500000000 ] - [ 0.0000154300000000, 0.0007360300000000, 0.0000514300000000 ] - [ 0.0002212000000000, 0.0002528100000000, -0.0003390700000000 ] - [ 0.0001917100000000, 0.0001815800000000, -0.0002896600000000 ] - [ 0.0004456100000000, 0.0005607500000000, 0.0003784000000000 ] - [ -0.0033432200000000, 0.0016977400000000, 0.0047571200000000 ] - [ -0.0005512900000000, 0.0005180600000000, -0.0004861100000000 ] - [ 0.0002347400000000, 0.0008423900000000, -0.0036457200000000 ] - [ 0.0001640200000000, 0.0009018300000000, 0.0003267200000000 ] - [ 0.0002639800000000, 0.0003187700000000, 0.0002840600000000 ] - [ 0.0000954300000000, 0.0002808100000000, 0.0002348300000000 ] - [ 0.0002176100000000, 0.0004696400000000, 0.0002717700000000 ] - [ 0.0001844500000000, 0.0000848000000000, -0.0007802800000000 ] - [ -0.0015260200000000, -0.0009859800000000, -0.0006475700000000 ] - [ 0.0005360000000000, -0.0004921000000000, -0.0005810000000000 ] - [ 0.0004336300000000, -0.0004080900000000, 0.0001674000000000 ] - [ -0.0009481700000000, -0.0002857400000000, 0.0008269100000000 ] - [ 0.0012057400000000, 0.0005849700000000, 0.0002828400000000 ] - [ 0.0003356000000000, -0.0007855600000000, -0.0000957700000000 ] - [ 0.0004303200000000, -0.0007513300000000, -0.0001230900000000 ] - [ 0.0020621000000000, 0.0000653100000000, -0.0054366200000000 ] - [ 0.0004431500000000, -0.0005324400000000, 0.0003421800000000 ] - [ -0.0008396600000000, -0.0001518300000000, 0.0005608500000000 ] - [ -0.0008514700000000, -0.0000903600000000, 0.0005320700000000 ] - [ -0.0004721100000000, -0.0003566900000000, -0.0004017800000000 ] - [ -0.0006691600000000, -0.0002066400000000, -0.0000062100000000 ] - [ -0.0000059600000000, -0.0002679400000000, 0.0006041200000000 ] - [ 0.0004026400000000, -0.0002858000000000, -0.0000320600000000 ] - [ 0.0002902000000000, 0.0019315200000000, 0.0102924500000000 ] - [ 0.0012028500000000, -0.0001394800000000, -0.0004264400000000 ] - [ 0.0001229500000000, -0.0000400200000000, 0.0000432400000000 ] - [ 0.0001676700000000, 0.0000027300000000, 0.0001021800000000 ] - [ -0.0004267300000000, -0.0003903200000000, 0.0002728500000000 ] - [ -0.0000235200000000, -0.0006142700000000, 0.0000190100000000 ] - [ -0.0006616000000000, -0.0007719500000000, -0.0003811000000000 ] - [ -0.0007237900000000, -0.0007565800000000, -0.0003640100000000 ] - [ -0.0005348400000000, 0.0000385700000000, 0.0000485500000000 ] - [ -0.0005726500000000, 0.0000476600000000, -0.0000828600000000 ] - [ -0.0002552600000000, -0.0000943900000000, 0.0025527600000000 ] - [ 0.0002006100000000, 0.0000766000000000, 0.0002900200000000 ] - [ 0.0000930700000000, 0.0001645800000000, -0.0001193500000000 ] - [ -0.0008902400000000, -0.0012646800000000, -0.0003177700000000 ] - [ 0.0008481100000000, -0.0003471200000000, -0.0023345000000000 ] - [ -0.0001081900000000, -0.0006309900000000, 0.0003542600000000 ] - [ -0.0001805400000000, -0.0002058300000000, -0.0001488000000000 ] - [ -0.0002201600000000, -0.0000814000000000, -0.0001125100000000 ] - [ -0.0005071400000000, 0.0000011600000000, -0.0010789600000000 ] - [ 0.0004280600000000, -0.0001881800000000, -0.0013301800000000 ] - [ 0.0031518800000000, 0.0052623000000000, 0.0106729100000000 ] - [ -0.0001094400000000, -0.0003672600000000, 0.0000808400000000 ] - [ -0.0000607000000000, 0.0000304100000000, 0.0002119000000000 ] - [ -0.0001250500000000, 0.0001509900000000, 0.0002046600000000 ] - [ -0.0005949100000000, -0.0006830500000000, -0.0001422900000000 ] - [ 0.0040476500000000, -0.0012353500000000, 0.0024035600000000 ] - [ 0.0005650600000000, 0.0000163000000000, 0.0001579500000000 ] - [ 0.0010031200000000, -0.0004635400000000, 0.0000500900000000 ] - [ 0.0001752000000000, 0.0000211000000000, -0.0001155100000000 ] - [ 0.0001666500000000, 0.0000064500000000, -0.0001311900000000 ] - [ -0.0004011400000000, 0.0002016200000000, 0.0002391800000000 ] - [ -0.0003663900000000, 0.0002233000000000, 0.0002440700000000 ] - [ 0.0001382200000000, 0.0003117900000000, 0.0000387300000000 ] - [ 0.0001103600000000, 0.0002069900000000, 0.0001213700000000 ] - [ -0.0001624900000000, 0.0000378900000000, -0.0006695700000000 ] - [ -0.0004610300000000, -0.0000274900000000, -0.0004611100000000 ] - [ 0.0002968900000000, 0.0000211800000000, -0.0001543900000000 ] - [ 0.0003553800000000, -0.0000775500000000, -0.0002431600000000 ] - [ 0.0000469500000000, -0.0002982700000000, -0.0000091100000000 ] - [ 0.0000723800000000, -0.0003202500000000, -0.0000206400000000 ] - [ 0.0102686700000000, -0.0070235600000000, -0.0446139700000000 ] - [ -0.0005012600000000, -0.0000621500000000, -0.0000340400000000 ] - [ -0.0090217500000000, -0.0037272100000000, 0.0029599800000000 ] - [ -0.0007091100000000, -0.0003433100000000, 0.0000961100000000 ] - [ 0.0052164700000000, -0.0013702700000000, -0.0017987200000000 ] - [ -0.0005133700000000, -0.0000035500000000, -0.0000891000000000 ] - [ 0.0004304700000000, -0.0005826900000000, 0.0003861700000000 ] - [ 0.0004183100000000, -0.0006108200000000, 0.0003577700000000 ] - [ 0.0000453100000000, 0.0005541300000000, -0.0003006400000000 ] - [ -0.0062610200000000, 0.0006003200000000, 0.0021278800000000 ] - [ -0.0000358400000000, 0.0001491300000000, -0.0003125100000000 ] - [ -0.0004945900000000, 0.0006224700000000, -0.0001497300000000 ] - [ -0.0008929900000000, 0.0014901400000000, -0.0001891800000000 ] - [ -0.0006676800000000, 0.0001708700000000, 0.0000068500000000 ] - [ -0.0000900800000000, 0.0002751600000000, -0.0000863200000000 ] - [ -0.0001434300000000, 0.0002003800000000, 0.0000046800000000 ] - [ 0.0007346400000000, 0.0002345800000000, -0.0000253900000000 ] - [ 0.0006119600000000, 0.0001835700000000, 0.0000744800000000 ] - [ -0.0002747900000000, -0.0000519300000000, 0.0006532400000000 ] - [ -0.0003284400000000, -0.0001104700000000, 0.0006445800000000 ] - [ 0.0000485000000000, 0.0001174300000000, 0.0000475700000000 ] - [ 0.0000236500000000, 0.0001067800000000, 0.0000517700000000 ] - [ 0.0001245600000000, 0.0005995200000000, 0.0001429900000000 ] - [ 0.0000902200000000, 0.0005673100000000, 0.0001552100000000 ] - [ -0.0006940700000000, 0.0000712400000000, 0.0044927000000000 ] - [ 0.0004442500000000, 0.0001324900000000, -0.0002160200000000 ] - [ -0.0000970000000000, 0.0000364700000000, -0.0005767400000000 ] - [ -0.0001160000000000, 0.0000356000000000, -0.0007078400000000 ] - [ 0.0014504400000000, -0.0012784000000000, -0.0027348800000000 ] - [ 0.0001275600000000, -0.0002422400000000, 0.0000987400000000 ] - [ -0.0003629400000000, 0.0004122300000000, 0.0014006600000000 ] - [ 0.0000381100000000, 0.0005308900000000, 0.0002085200000000 ] - [ 0.0006974600000000, -0.0002665600000000, -0.0002783100000000 ] - [ 0.0006949400000000, -0.0002766200000000, -0.0002641400000000 ] - [ -0.0003135500000000, -0.0011716100000000, 0.0040046600000000 ] - [ 0.0002152600000000, -0.0001999900000000, -0.0001101900000000 ] - [ -0.0002179500000000, -0.0006423600000000, 0.0004038900000000 ] - [ -0.0006401800000000, -0.0005966500000000, 0.0012582300000000 ] - [ 0.0003614300000000, -0.0005011200000000, -0.0002204200000000 ] - [ 0.0003408700000000, -0.0004981200000000, -0.0002281300000000 ] - [ 0.0000029500000000, -0.0005860500000000, -0.0004037600000000 ] - [ 0.0000020900000000, -0.0006689600000000, -0.0003656600000000 ] - [ -0.0000102700000000, 0.0006826100000000, 0.0003705400000000 ] - [ 0.0000118000000000, 0.0006239800000000, 0.0002774200000000 ] - [ 0.0003889100000000, 0.0003815200000000, -0.0007110600000000 ] - [ -0.0003684100000000, 0.0003694700000000, -0.0000521500000000 ] - [ 0.0001707600000000, 0.0001608700000000, 0.0001306600000000 ] - [ 0.0000252500000000, 0.0001752500000000, 0.0002460500000000 ] - [ -0.0000512000000000, 0.0005830100000000, -0.0001879400000000 ] - [ 0.0000317100000000, 0.0006278800000000, -0.0001888800000000 ] - [ -0.0002056600000000, -0.0001930000000000, 0.0001397800000000 ] - [ -0.0001631100000000, -0.0002511600000000, 0.0000934900000000 ] - [ 0.0003823000000000, -0.0000449000000000, -0.0000178600000000 ] - [ 0.0003966600000000, -0.0000425700000000, -0.0000062200000000 ] - [ -0.0001747200000000, 0.0000164500000000, 0.0012524100000000 ] - [ -0.0002109500000000, -0.0003624200000000, 0.0002925800000000 ] - [ -0.0000173800000000, 0.0000406600000000, 0.0009166000000000 ] - [ 0.0003055900000000, 0.0001641200000000, 0.0007711800000000 ] - [ 0.0000059000000000, -0.0000116400000000, -0.0002128200000000 ] - [ -0.0001298400000000, 0.0006373400000000, -0.0003146200000000 ] - [ -0.0001300900000000, 0.0006177700000000, -0.0002147700000000 ] - [ 0.0012339000000000, 0.0020862500000000, 0.0000767800000000 ] - [ 0.0003033200000000, 0.0001765900000000, 0.0003655100000000 ] - [ 0.0001612300000000, 0.0002011700000000, 0.0004513200000000 ]- atom: 81 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0002054500000000, 0.0002680500000000, -0.0002183200000000 ] - [ -0.0004178900000000, 0.0002797200000000, 0.0006847300000000 ] - [ 0.0001458600000000, 0.0003733300000000, -0.0001177200000000 ] - [ 0.0000742400000000, 0.0004125200000000, -0.0001396400000000 ] - [ -0.0002278000000000, 0.0009248700000000, -0.0001689600000000 ] - [ 0.0002856800000000, 0.0006949900000000, -0.0008690400000000 ] - [ 0.0004763200000000, 0.0015859800000000, -0.0078637900000000 ] - [ -0.0002817600000000, 0.0002454600000000, 0.0004404900000000 ] - [ -0.0005042000000000, 0.0000696100000000, 0.0003579400000000 ] - [ -0.0005538700000000, 0.0000771100000000, 0.0004067600000000 ] - [ 0.0060575800000000, -0.0032467100000000, -0.0070374200000000 ] - [ 0.0004751000000000, -0.0000374200000000, -0.0005033000000000 ] - [ -0.0000150500000000, 0.0020448100000000, 0.0001932900000000 ] - [ -0.0000761400000000, 0.0007186400000000, 0.0000917000000000 ] - [ 0.0001891600000000, 0.0003318500000000, -0.0003540600000000 ] - [ 0.0002195500000000, 0.0003986800000000, -0.0004033500000000 ] - [ -0.0006558000000000, 0.0001916300000000, -0.0001100100000000 ] - [ 0.0031091300000000, -0.0009209100000000, -0.0044701900000000 ] - [ 0.0001752400000000, 0.0005081100000000, -0.0000362500000000 ] - [ -0.0006292500000000, 0.0002024800000000, 0.0031275700000000 ] - [ 0.0002367100000000, -0.0002730300000000, 0.0002010500000000 ] - [ 0.0001462800000000, 0.0003198900000000, 0.0002295500000000 ] - [ 0.0002794400000000, 0.0007328100000000, 0.0002829500000000 ] - [ 0.0001594500000000, 0.0005503100000000, 0.0002450500000000 ] - [ -0.0004719000000000, -0.0000079400000000, 0.0005944500000000 ] - [ 0.0012192100000000, 0.0010701100000000, 0.0004684000000000 ] - [ 0.0004539800000000, -0.0002349600000000, 0.0009196900000000 ] - [ 0.0005448500000000, -0.0003003500000000, 0.0001729900000000 ] - [ 0.0001635800000000, -0.0010920200000000, -0.0005643400000000 ] - [ -0.0019834100000000, -0.0019752800000000, -0.0000340400000000 ] - [ 0.0004372600000000, -0.0006148200000000, -0.0001651200000000 ] - [ 0.0003453600000000, -0.0006449200000000, -0.0001373400000000 ] - [ -0.0006461600000000, -0.0014134500000000, 0.0061632900000000 ] - [ 0.0009641500000000, -0.0008349200000000, 0.0003773000000000 ] - [ -0.0008825500000000, -0.0000088500000000, 0.0004916900000000 ] - [ -0.0008736000000000, -0.0000712300000000, 0.0005192400000000 ] - [ -0.0005061400000000, -0.0003506200000000, 0.0000660100000000 ] - [ -0.0003065000000000, -0.0005074000000000, -0.0003209100000000 ] - [ 0.0005966100000000, -0.0004156500000000, -0.0007389900000000 ] - [ 0.0001874700000000, -0.0003972200000000, -0.0001087400000000 ] - [ 0.0014314400000000, -0.0020671800000000, -0.0113158600000000 ] - [ 0.0005255100000000, -0.0000204700000000, -0.0006323000000000 ] - [ 0.0001756600000000, 0.0001134800000000, 0.0001503800000000 ] - [ 0.0001335100000000, 0.0000718800000000, 0.0000916300000000 ] - [ -0.0001748500000000, -0.0003011900000000, -0.0001236300000000 ] - [ -0.0005659600000000, -0.0000781900000000, 0.0001254100000000 ] - [ -0.0007432000000000, -0.0006031700000000, -0.0003449500000000 ] - [ -0.0006836800000000, -0.0006188800000000, -0.0003612600000000 ] - [ -0.0005837800000000, 0.0000362400000000, -0.0002096700000000 ] - [ -0.0005480700000000, 0.0000200400000000, -0.0000792100000000 ] - [ -0.0000970600000000, 0.0000519400000000, -0.0023021600000000 ] - [ -0.0005360500000000, -0.0001127400000000, -0.0000336200000000 ] - [ 0.0001387800000000, 0.0002086100000000, 0.0000967800000000 ] - [ 0.0011333700000000, 0.0016453800000000, 0.0003079300000000 ] - [ -0.0008689600000000, -0.0007897700000000, 0.0030965100000000 ] - [ 0.0000759200000000, -0.0005913000000000, 0.0003965900000000 ] - [ -0.0002087600000000, -0.0002271500000000, -0.0000967800000000 ] - [ -0.0001706900000000, -0.0003493900000000, -0.0001321400000000 ] - [ 0.0011268800000000, -0.0002601800000000, -0.0002087600000000 ] - [ 0.0001972200000000, -0.0000721800000000, 0.0000536400000000 ] - [ -0.0033572600000000, -0.0060738500000000, -0.0108072600000000 ] - [ -0.0000214200000000, -0.0003315300000000, -0.0000792100000000 ] - [ -0.0001494500000000, 0.0002725300000000, 0.0001293300000000 ] - [ -0.0000825100000000, 0.0001480400000000, 0.0001332900000000 ] - [ -0.0002642000000000, -0.0005919900000000, -0.0005799200000000 ] - [ -0.0048562700000000, -0.0000456700000000, -0.0031271600000000 ] - [ 0.0005534000000000, 0.0000497800000000, 0.0000044300000000 ] - [ 0.0001190700000000, 0.0005312800000000, 0.0000993200000000 ] - [ 0.0001615700000000, -0.0000521900000000, -0.0001406700000000 ] - [ 0.0001694600000000, -0.0000374700000000, -0.0001253300000000 ] - [ -0.0003824200000000, 0.0001486400000000, 0.0002317700000000 ] - [ -0.0004160300000000, 0.0001287500000000, 0.0002271000000000 ] - [ 0.0001259400000000, 0.0001141800000000, 0.0002277300000000 ] - [ 0.0001551100000000, 0.0002169200000000, 0.0001461900000000 ] - [ -0.0003151000000000, 0.0002521400000000, -0.0002361500000000 ] - [ -0.0000123600000000, 0.0003212800000000, -0.0004408800000000 ] - [ 0.0003973500000000, -0.0002269800000000, -0.0003184100000000 ] - [ 0.0003411500000000, -0.0001317700000000, -0.0002297000000000 ] - [ 0.0000827200000000, -0.0003963000000000, 0.0000074000000000 ] - [ 0.0000578200000000, -0.0003735600000000, 0.0000194700000000 ] - [ -0.0107701700000000, 0.0060346900000000, 0.0449765600000000 ] - [ -0.0002713100000000, -0.0000825000000000, 0.0000561500000000 ] - [ 0.0075366800000000, 0.0030831600000000, -0.0024139300000000 ] - [ -0.0006964100000000, -0.0002563400000000, 0.0004663900000000 ] - [ -0.0052234500000000, 0.0014873300000000, 0.0017529900000000 ] - [ 0.0004477200000000, 0.0001533500000000, -0.0000158200000000 ] - [ 0.0004244000000000, -0.0006840700000000, 0.0003355200000000 ] - [ 0.0004364200000000, -0.0006586400000000, 0.0003640400000000 ] - [ -0.0002537000000000, 0.0005327600000000, -0.0000138100000000 ] - [ 0.0061330800000000, 0.0004816300000000, -0.0024479000000000 ] - [ -0.0001241000000000, 0.0001606400000000, -0.0002088800000000 ] - [ 0.0003308900000000, -0.0003110300000000, -0.0003589100000000 ] - [ -0.0004412500000000, -0.0011198200000000, 0.0002938000000000 ] - [ -0.0006616700000000, 0.0001798700000000, 0.0001070100000000 ] - [ -0.0001431300000000, 0.0001066400000000, 0.0001086600000000 ] - [ -0.0000904700000000, 0.0001762100000000, 0.0000167200000000 ] - [ 0.0005955800000000, 0.0001169600000000, -0.0000853000000000 ] - [ 0.0007166100000000, 0.0001687000000000, -0.0001878000000000 ] - [ -0.0003511100000000, -0.0002016800000000, 0.0006264600000000 ] - [ -0.0002986500000000, -0.0001442000000000, 0.0006339500000000 ] - [ 0.0000202800000000, 0.0000368600000000, 0.0000603400000000 ] - [ 0.0000441700000000, 0.0000468200000000, 0.0000560100000000 ] - [ 0.0000871700000000, 0.0004932800000000, 0.0001720000000000 ] - [ 0.0001209600000000, 0.0005231100000000, 0.0001596600000000 ] - [ 0.0014794400000000, 0.0002615800000000, -0.0049424500000000 ] - [ 0.0003397600000000, 0.0002138800000000, -0.0002545300000000 ] - [ -0.0001028200000000, 0.0000309200000000, -0.0007752000000000 ] - [ -0.0000880400000000, 0.0000337900000000, -0.0006457800000000 ] - [ -0.0010537600000000, 0.0008175000000000, 0.0029923600000000 ] - [ 0.0002630700000000, -0.0001939900000000, 0.0001477700000000 ] - [ 0.0004017600000000, 0.0006746300000000, -0.0009828000000000 ] - [ -0.0000036400000000, 0.0005670100000000, 0.0002115800000000 ] - [ 0.0007040400000000, -0.0003278900000000, -0.0002839000000000 ] - [ 0.0007073400000000, -0.0003175700000000, -0.0002981700000000 ] - [ 0.0007182200000000, 0.0008066600000000, -0.0042477400000000 ] - [ 0.0001777000000000, -0.0002006100000000, -0.0001176500000000 ] - [ -0.0004888600000000, -0.0003989900000000, 0.0000412200000000 ] - [ -0.0000597300000000, -0.0004426400000000, -0.0008205800000000 ] - [ 0.0003451900000000, -0.0005322700000000, -0.0002180500000000 ] - [ 0.0003641800000000, -0.0005376500000000, -0.0002101500000000 ] - [ 0.0000278800000000, -0.0006345100000000, -0.0003470400000000 ] - [ 0.0000309900000000, -0.0005495100000000, -0.0003835900000000 ] - [ 0.0000498100000000, 0.0005450400000000, 0.0001869200000000 ] - [ 0.0000270700000000, 0.0006016000000000, 0.0002803900000000 ] - [ -0.0006416700000000, 0.0000461400000000, 0.0004507700000000 ] - [ 0.0001015200000000, 0.0000499700000000, -0.0002107400000000 ] - [ -0.0000094400000000, 0.0001507500000000, 0.0003911000000000 ] - [ 0.0001340300000000, 0.0001353500000000, 0.0002758800000000 ] - [ 0.0000142800000000, 0.0005172000000000, -0.0002311700000000 ] - [ -0.0000655000000000, 0.0004739300000000, -0.0002307600000000 ] - [ -0.0001882200000000, -0.0002053900000000, 0.0000888000000000 ] - [ -0.0002313300000000, -0.0001443600000000, 0.0001334400000000 ] - [ 0.0003907700000000, -0.0000960600000000, -0.0000032400000000 ] - [ 0.0003774200000000, -0.0000969500000000, -0.0000143800000000 ] - [ -0.0005269200000000, -0.0002328200000000, -0.0007815300000000 ] - [ -0.0004866000000000, 0.0001494600000000, 0.0001767700000000 ] - [ 0.0002122000000000, 0.0000290300000000, 0.0004360500000000 ] - [ -0.0001006400000000, -0.0000969300000000, 0.0005817300000000 ] - [ 0.0002040300000000, 0.0003093000000000, -0.0001261000000000 ] - [ 0.0003263700000000, -0.0003181000000000, -0.0000276800000000 ] - [ 0.0000869800000000, 0.0006055900000000, -0.0003425600000000 ] - [ -0.0012611200000000, -0.0008611900000000, -0.0006394800000000 ] - [ 0.0001757800000000, 0.0001206100000000, 0.0005403000000000 ] - [ 0.0003113500000000, 0.0000925100000000, 0.0004537600000000 ]- atom: 83 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0002747200000000, 0.0008783900000000, -0.0002001700000000 ] - [ -0.0004359400000000, -0.0003069700000000, -0.0004150100000000 ] - [ 0.0003125300000000, 0.0002307400000000, -0.0000587000000000 ] - [ -0.0001288000000000, 0.0003609600000000, -0.0002026700000000 ] - [ 0.0000726100000000, 0.0014934900000000, -0.0001194500000000 ] - [ -0.0003454000000000, 0.0001819600000000, -0.0000964600000000 ] - [ 0.0013347300000000, -0.0010397200000000, 0.0022096500000000 ] - [ -0.0012844600000000, 0.0007425800000000, -0.0000726800000000 ] - [ -0.0003973600000000, -0.0005400700000000, 0.0004088400000000 ] - [ -0.0007487600000000, 0.0002698700000000, 0.0002641700000000 ] - [ 0.0056376100000000, -0.0026694500000000, -0.0009041300000000 ] - [ -0.0006447700000000, 0.0003904600000000, -0.0005443300000000 ] - [ 0.0012895400000000, 0.0016773500000000, 0.0011495200000000 ] - [ -0.0009807500000000, 0.0003205900000000, -0.0003040300000000 ] - [ 0.0002275700000000, -0.0002300300000000, -0.0003567200000000 ] - [ 0.0000420700000000, 0.0005884900000000, -0.0003690600000000 ] - [ -0.0061234000000000, -0.0011705600000000, -0.0023738900000000 ] - [ -0.0032937100000000, 0.0017643900000000, 0.0003084000000000 ] - [ -0.0014861000000000, 0.0004821300000000, 0.0003789400000000 ] - [ -0.0018796500000000, 0.0012904900000000, -0.0014337900000000 ] - [ 0.0013503300000000, 0.0027218100000000, -0.0000695600000000 ] - [ -0.0007862400000000, -0.0002884300000000, 0.0001111700000000 ] - [ 0.0004344800000000, 0.0003803400000000, 0.0003053400000000 ] - [ -0.0000821500000000, 0.0004753800000000, 0.0001946300000000 ] - [ -0.0008429800000000, 0.0027863400000000, 0.0010336900000000 ] - [ -0.0012960100000000, -0.0005356400000000, -0.0004476500000000 ] - [ 0.0013248700000000, -0.0004805800000000, 0.0002610600000000 ] - [ -0.0000008700000000, -0.0003294900000000, 0.0000403300000000 ] - [ 0.0006430600000000, 0.0006569400000000, -0.0008603300000000 ] - [ -0.0013535200000000, -0.0011449800000000, -0.0001106800000000 ] - [ 0.0009245600000000, -0.0006256000000000, 0.0000473900000000 ] - [ -0.0000142700000000, -0.0008001900000000, -0.0002587800000000 ] - [ 0.0107013300000000, -0.0000820300000000, 0.0000049100000000 ] - [ -0.0005066100000000, -0.0007038000000000, 0.0000242700000000 ] - [ -0.0006164000000000, -0.0001188600000000, 0.0005910300000000 ] - [ -0.0010887200000000, -0.0001463700000000, 0.0004716300000000 ] - [ -0.0006943000000000, -0.0027957700000000, 0.0004436800000000 ] - [ -0.0013795500000000, 0.0002119100000000, -0.0005046100000000 ] - [ 0.0010082300000000, -0.0007403300000000, 0.0002203300000000 ] - [ -0.0001761700000000, -0.0002917500000000, -0.0001954400000000 ] - [ 0.0168775100000000, -0.0015426500000000, -0.0133896600000000 ] - [ -0.0004941800000000, -0.0000531200000000, -0.0008891400000000 ] - [ 0.0007159100000000, -0.0000424300000000, 0.0002215200000000 ] - [ -0.0002550500000000, -0.0000427700000000, 0.0000115200000000 ] - [ 0.0004265400000000, -0.0017420400000000, -0.0004977700000000 ] - [ -0.0010675400000000, 0.0001075800000000, -0.0000144600000000 ] - [ -0.0004754800000000, -0.0007204300000000, -0.0002996700000000 ] - [ -0.0009195500000000, -0.0007589300000000, -0.0004268400000000 ] - [ -0.0006831900000000, 0.0002171000000000, -0.0001055900000000 ] - [ -0.0004069900000000, -0.0000429500000000, -0.0000378100000000 ] - [ -0.0016819600000000, -0.0034657200000000, -0.0041751200000000 ] - [ 0.0005329300000000, -0.0000607000000000, 0.0003641800000000 ] - [ 0.0002627400000000, -0.0002129700000000, 0.0001278400000000 ] - [ 0.0003294500000000, 0.0005682900000000, 0.0000058300000000 ] - [ 0.0018060000000000, -0.0043538300000000, -0.0023952600000000 ] - [ 0.0009411900000000, -0.0003051000000000, 0.0006360700000000 ] - [ -0.0002162300000000, 0.0002501200000000, -0.0000403100000000 ] - [ -0.0000661000000000, -0.0004323800000000, -0.0001152600000000 ] - [ 0.0001403700000000, -0.0024387900000000, -0.0002270100000000 ] - [ 0.0008405800000000, 0.0000375700000000, -0.0005570000000000 ] - [ -0.0011948300000000, -0.0006020400000000, -0.0017214400000000 ] - [ 0.0004550900000000, -0.0003343000000000, 0.0002255100000000 ] - [ -0.0003491700000000, 0.0002268300000000, 0.0000544500000000 ] - [ 0.0000855800000000, 0.0001574900000000, 0.0002274500000000 ] - [ 0.0015729200000000, -0.0014643100000000, -0.0014454600000000 ] - [ 0.0005466800000000, -0.0003590900000000, 0.0001330600000000 ] - [ 0.0013968600000000, 0.0007335800000000, -0.0000780600000000 ] - [ 0.0011821700000000, -0.0007498100000000, 0.0005022400000000 ] - [ -0.0000175800000000, 0.0000834900000000, -0.0001811800000000 ] - [ 0.0003466200000000, -0.0000216200000000, -0.0000736100000000 ] - [ -0.0003590400000000, 0.0002798600000000, 0.0002452400000000 ] - [ -0.0003891300000000, 0.0001447800000000, 0.0002420200000000 ] - [ -0.0000820000000000, 0.0002820700000000, 0.0000505200000000 ] - [ 0.0003128100000000, 0.0002208800000000, 0.0001954700000000 ] - [ -0.0007277300000000, -0.0001399500000000, -0.0005015300000000 ] - [ 0.0000973300000000, 0.0002994700000000, -0.0003402300000000 ] - [ 0.0001068000000000, -0.0000599900000000, -0.0002611800000000 ] - [ 0.0005388100000000, -0.0000885900000000, -0.0002036600000000 ] - [ -0.0000278600000000, -0.0003257700000000, -0.0000179800000000 ] - [ 0.0001488200000000, -0.0003147300000000, 0.0000181500000000 ] - [ 0.0082360900000000, 0.0044185700000000, -0.0063437800000000 ] - [ 0.0006747700000000, -0.0005352200000000, 0.0002867500000000 ] - [ -0.0338093200000000, -0.0003258300000000, 0.0241129000000000 ] - [ -0.0000840400000000, -0.0002707100000000, 0.0003812900000000 ] - [ -0.0032213100000000, 0.0003269300000000, -0.0005678700000000 ] - [ 0.0006652700000000, -0.0000078000000000, 0.0001134700000000 ] - [ 0.0003031900000000, -0.0006033900000000, 0.0003311200000000 ] - [ 0.0005368100000000, -0.0006053500000000, 0.0003885400000000 ] - [ 0.0003206600000000, -0.0001303500000000, 0.0007617800000000 ] - [ 0.0007023900000000, 0.0008039000000000, -0.0002691000000000 ] - [ 0.0003218600000000, 0.0007056800000000, 0.0002185400000000 ] - [ 0.0002233600000000, -0.0002979900000000, -0.0004058100000000 ] - [ -0.0012833400000000, 0.0006489000000000, -0.0000423900000000 ] - [ -0.0004084700000000, 0.0001244700000000, 0.0001153200000000 ] - [ -0.0002630100000000, -0.0002383500000000, -0.0000830800000000 ] - [ 0.0001064500000000, 0.0003841400000000, 0.0000895600000000 ] - [ 0.0005838100000000, 0.0009490000000000, -0.0003299800000000 ] - [ 0.0009782600000000, -0.0000524100000000, 0.0000804200000000 ] - [ -0.0006177100000000, -0.0001405400000000, 0.0005109500000000 ] - [ -0.0000860200000000, -0.0000775600000000, 0.0007094100000000 ] - [ -0.0001684500000000, 0.0001355000000000, 0.0000038000000000 ] - [ 0.0002152600000000, 0.0000877600000000, 0.0000961500000000 ] - [ -0.0000053500000000, 0.0005221200000000, 0.0001250700000000 ] - [ 0.0002248600000000, 0.0006082000000000, 0.0001917100000000 ] - [ 0.0015817000000000, 0.0023143400000000, 0.0054142800000000 ] - [ 0.0011915300000000, -0.0000338000000000, -0.0000826800000000 ] - [ -0.0010086900000000, 0.0004665500000000, -0.0009466700000000 ] - [ 0.0003363300000000, -0.0000363300000000, -0.0005697500000000 ] - [ -0.0001922900000000, 0.0006164500000000, -0.0003788900000000 ] - [ 0.0005031700000000, -0.0004137800000000, 0.0001728800000000 ] - [ -0.0013197800000000, -0.0012938300000000, 0.0020110100000000 ] - [ 0.0005761000000000, 0.0006173900000000, 0.0003092300000000 ] - [ 0.0005815100000000, -0.0002450000000000, -0.0003231400000000 ] - [ 0.0008067600000000, -0.0002873800000000, -0.0002480800000000 ] - [ -0.0003180000000000, 0.0003670500000000, 0.0001200700000000 ] - [ 0.0004735000000000, -0.0003682500000000, -0.0000170900000000 ] - [ -0.0003739300000000, -0.0010632500000000, -0.0001508100000000 ] - [ 0.0000393100000000, -0.0001972500000000, 0.0003985000000000 ] - [ 0.0000712300000000, -0.0006808000000000, -0.0002530400000000 ] - [ 0.0005412200000000, -0.0003962400000000, -0.0001794500000000 ] - [ -0.0000152600000000, -0.0007373700000000, -0.0003751800000000 ] - [ 0.0000639100000000, -0.0004465100000000, -0.0003518500000000 ] - [ -0.0001575400000000, 0.0003054100000000, 0.0002823000000000 ] - [ 0.0002372800000000, 0.0007770100000000, 0.0003184700000000 ] - [ -0.0018111400000000, 0.0012866900000000, 0.0017773800000000 ] - [ 0.0005660700000000, 0.0001389200000000, 0.0001089300000000 ] - [ -0.0000106000000000, 0.0003606300000000, 0.0002238400000000 ] - [ 0.0002489700000000, 0.0000722700000000, 0.0003069000000000 ] - [ -0.0000474300000000, 0.0003965200000000, -0.0002279000000000 ] - [ 0.0000571600000000, 0.0007334400000000, -0.0001990000000000 ] - [ -0.0000492300000000, 0.0003135300000000, 0.0000653400000000 ] - [ -0.0000458600000000, -0.0005403500000000, 0.0001762100000000 ] - [ 0.0004053000000000, 0.0000389200000000, -0.0000091400000000 ] - [ 0.0004023200000000, -0.0000999500000000, -0.0000129500000000 ] - [ 0.0013155100000000, 0.0027756700000000, -0.0039587900000000 ] - [ 0.0004083300000000, -0.0001705200000000, 0.0004066600000000 ] - [ -0.0002496200000000, -0.0005068200000000, 0.0005019700000000 ] - [ 0.0004866300000000, 0.0002127800000000, 0.0007676100000000 ] - [ 0.0004388900000000, 0.0021739200000000, 0.0002788700000000 ] - [ 0.0006615500000000, -0.0003198800000000, -0.0000875200000000 ] - [ 0.0002994200000000, 0.0000948100000000, -0.0002891500000000 ] - [ 0.0004781800000000, 0.0012109000000000, -0.0001257400000000 ] - [ -0.0006831000000000, 0.0002265700000000, 0.0002558000000000 ] - [ 0.0006725300000000, 0.0001097300000000, 0.0005791300000000 ]- atom: 83 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ -0.0001349500000000, -0.0002399000000000, -0.0003131100000000 ] - [ 0.0000310400000000, 0.0009462900000000, -0.0000960100000000 ] - [ -0.0001013900000000, 0.0005179200000000, -0.0002041900000000 ] - [ 0.0003395500000000, 0.0003871800000000, -0.0000603600000000 ] - [ -0.0000119000000000, -0.0000401600000000, -0.0000233600000000 ] - [ 0.0004104400000000, 0.0012723800000000, -0.0000460500000000 ] - [ -0.0017339600000000, 0.0016300500000000, -0.0015017900000000 ] - [ 0.0008764000000000, -0.0001572500000000, 0.0007682300000000 ] - [ -0.0006519800000000, 0.0005452400000000, 0.0002930600000000 ] - [ -0.0002967300000000, -0.0002661100000000, 0.0004389800000000 ] - [ -0.0045492500000000, 0.0027599800000000, 0.0002019900000000 ] - [ 0.0016965900000000, -0.0003899200000000, -0.0001576900000000 ] - [ -0.0013537500000000, -0.0002286500000000, -0.0010007500000000 ] - [ 0.0009206700000000, 0.0011370000000000, 0.0004492700000000 ] - [ 0.0001816000000000, 0.0008205800000000, -0.0003366300000000 ] - [ 0.0003701900000000, 0.0000002800000000, -0.0003235900000000 ] - [ 0.0059524500000000, 0.0019370500000000, 0.0026608600000000 ] - [ 0.0030760100000000, -0.0010074500000000, -0.0000413700000000 ] - [ 0.0011061800000000, 0.0005435000000000, -0.0009067200000000 ] - [ 0.0015127300000000, -0.0002672900000000, 0.0009175800000000 ] - [ -0.0009328000000000, -0.0020938300000000, 0.0005789300000000 ] - [ 0.0011970400000000, 0.0009315400000000, 0.0004012600000000 ] - [ -0.0000569400000000, 0.0006427400000000, 0.0002112400000000 ] - [ 0.0004594700000000, 0.0005475300000000, 0.0003220600000000 ] - [ 0.0005306600000000, -0.0027269300000000, -0.0012324400000000 ] - [ 0.0009962900000000, 0.0006094600000000, 0.0002607200000000 ] - [ -0.0003465400000000, -0.0002252100000000, 0.0000805200000000 ] - [ 0.0009814200000000, -0.0003797000000000, 0.0003022200000000 ] - [ -0.0014333000000000, -0.0020502600000000, 0.0011206800000000 ] - [ 0.0005840600000000, -0.0002498100000000, 0.0003702600000000 ] - [ -0.0001505500000000, -0.0007692000000000, -0.0003079400000000 ] - [ 0.0007901900000000, -0.0005915500000000, -0.0000013000000000 ] - [ -0.0092942000000000, -0.0012725100000000, 0.0005568900000000 ] - [ 0.0019146300000000, -0.0006673600000000, 0.0006941000000000 ] - [ -0.0011084900000000, -0.0000376800000000, 0.0004615300000000 ] - [ -0.0006337800000000, -0.0000104000000000, 0.0005813100000000 ] - [ -0.0002878700000000, 0.0020928500000000, -0.0007861200000000 ] - [ 0.0004055700000000, -0.0009212300000000, 0.0001669500000000 ] - [ -0.0004174500000000, 0.0000597800000000, -0.0003602100000000 ] - [ 0.0007686700000000, -0.0003927400000000, 0.0000562800000000 ] - [ -0.0151358200000000, 0.0013150800000000, 0.0118875400000000 ] - [ 0.0022250400000000, -0.0001119300000000, -0.0001675800000000 ] - [ -0.0004172000000000, 0.0001191300000000, -0.0000293200000000 ] - [ 0.0005566400000000, 0.0001223900000000, 0.0001809000000000 ] - [ -0.0010316400000000, 0.0010500400000000, 0.0006496300000000 ] - [ 0.0004754100000000, -0.0007956200000000, 0.0001664200000000 ] - [ -0.0009319400000000, -0.0006502100000000, -0.0004273300000000 ] - [ -0.0004849800000000, -0.0006115600000000, -0.0002990000000000 ] - [ -0.0004358600000000, -0.0001521400000000, -0.0000570000000000 ] - [ -0.0007117300000000, 0.0001089100000000, -0.0001247800000000 ] - [ 0.0013795700000000, 0.0034285200000000, 0.0044323900000000 ] - [ -0.0008697500000000, 0.0000290200000000, -0.0001071500000000 ] - [ -0.0000286600000000, 0.0005889900000000, -0.0001488900000000 ] - [ -0.0000985200000000, -0.0001940600000000, -0.0000277700000000 ] - [ -0.0018323600000000, 0.0031053300000000, 0.0031228700000000 ] - [ -0.0009777900000000, -0.0009212900000000, 0.0001127300000000 ] - [ -0.0001729700000000, -0.0006865700000000, -0.0002066300000000 ] - [ -0.0003254400000000, -0.0000025300000000, -0.0001317700000000 ] - [ 0.0004945400000000, 0.0021958000000000, -0.0010526500000000 ] - [ -0.0002153000000000, -0.0002926800000000, -0.0007209900000000 ] - [ 0.0010649600000000, -0.0000950000000000, 0.0017171300000000 ] - [ -0.0005848900000000, -0.0003630300000000, -0.0002247800000000 ] - [ 0.0001432100000000, 0.0000683200000000, 0.0002836700000000 ] - [ -0.0002921800000000, 0.0001389700000000, 0.0001104400000000 ] - [ -0.0024483700000000, 0.0002054400000000, 0.0007418900000000 ] - [ -0.0014013800000000, -0.0009097500000000, -0.0008513300000000 ] - [ -0.0002794500000000, -0.0006728300000000, 0.0002456600000000 ] - [ -0.0000649000000000, 0.0008132600000000, -0.0003368000000000 ] - [ 0.0003551800000000, -0.0001160700000000, -0.0000750200000000 ] - [ -0.0000110600000000, -0.0000111000000000, -0.0001832700000000 ] - [ -0.0004242500000000, 0.0000691800000000, 0.0002257100000000 ] - [ -0.0003951900000000, 0.0002049700000000, 0.0002286700000000 ] - [ 0.0003478600000000, 0.0001393000000000, 0.0002183300000000 ] - [ -0.0000483200000000, 0.0002012400000000, 0.0000730200000000 ] - [ 0.0002531600000000, 0.0004302700000000, -0.0004012700000000 ] - [ -0.0005755900000000, -0.0000076400000000, -0.0005631100000000 ] - [ 0.0005906200000000, -0.0001517400000000, -0.0002124000000000 ] - [ 0.0001573400000000, -0.0001226300000000, -0.0002702200000000 ] - [ 0.0001577800000000, -0.0003717800000000, 0.0000166500000000 ] - [ -0.0000204400000000, -0.0003825900000000, -0.0000197400000000 ] - [ -0.0088610000000000, -0.0044764500000000, 0.0062514000000000 ] - [ -0.0014516300000000, 0.0003981200000000, -0.0002657800000000 ] - [ 0.0321068700000000, -0.0003471600000000, -0.0230085300000000 ] - [ -0.0013184100000000, -0.0003243700000000, 0.0001825000000000 ] - [ 0.0031554100000000, -0.0002044800000000, 0.0005024000000000 ] - [ -0.0007349700000000, 0.0001618200000000, -0.0002211900000000 ] - [ 0.0005530200000000, -0.0006653200000000, 0.0003905800000000 ] - [ 0.0003192400000000, -0.0006640900000000, 0.0003331900000000 ] - [ -0.0005301700000000, 0.0012252900000000, -0.0010843400000000 ] - [ -0.0009133000000000, 0.0002855600000000, -0.0000494600000000 ] - [ -0.0004797600000000, -0.0004006100000000, -0.0007443000000000 ] - [ -0.0003871600000000, 0.0006063400000000, -0.0001198000000000 ] - [ -0.0000447400000000, -0.0003008500000000, 0.0001565700000000 ] - [ -0.0009212000000000, 0.0002254000000000, -0.0000014300000000 ] - [ 0.0000304300000000, 0.0006140600000000, 0.0001044200000000 ] - [ -0.0003384500000000, -0.0000113200000000, -0.0000684900000000 ] - [ 0.0007478400000000, -0.0006006900000000, 0.0002195400000000 ] - [ 0.0003500000000000, 0.0004016000000000, -0.0001940500000000 ] - [ -0.0000067800000000, -0.0001148600000000, 0.0007680700000000 ] - [ -0.0005401900000000, -0.0001790300000000, 0.0005691000000000 ] - [ 0.0002378600000000, 0.0000166800000000, 0.0001044400000000 ] - [ -0.0001478500000000, 0.0000639400000000, 0.0000116100000000 ] - [ 0.0002177400000000, 0.0005676700000000, 0.0001899700000000 ] - [ -0.0000122400000000, 0.0004809700000000, 0.0001233600000000 ] - [ -0.0008069200000000, -0.0019514200000000, -0.0058491200000000 ] - [ -0.0004078400000000, 0.0003835900000000, -0.0003872800000000 ] - [ 0.0008117400000000, -0.0003995700000000, -0.0004033300000000 ] - [ -0.0005387500000000, 0.0001018000000000, -0.0007808700000000 ] - [ 0.0005812100000000, -0.0010541300000000, 0.0006282200000000 ] - [ -0.0001122200000000, -0.0000199200000000, 0.0000742900000000 ] - [ 0.0013404700000000, 0.0024058800000000, -0.0016025100000000 ] - [ -0.0005409200000000, 0.0004794100000000, 0.0001123500000000 ] - [ 0.0008207200000000, -0.0003503700000000, -0.0002393400000000 ] - [ 0.0005942800000000, -0.0003074600000000, -0.0003148400000000 ] - [ 0.0007127000000000, -0.0007709800000000, -0.0003506100000000 ] - [ -0.0000786000000000, -0.0000312500000000, -0.0002112400000000 ] - [ -0.0003267900000000, 0.0000260200000000, 0.0005931300000000 ] - [ -0.0007475300000000, -0.0008411200000000, 0.0000390200000000 ] - [ 0.0006366600000000, -0.0003558100000000, -0.0001844500000000 ] - [ 0.0001655700000000, -0.0006427900000000, -0.0002584000000000 ] - [ 0.0000477000000000, -0.0004852300000000, -0.0003745300000000 ] - [ -0.0000327200000000, -0.0007764900000000, -0.0003982200000000 ] - [ 0.0001980900000000, 0.0009203500000000, 0.0002760100000000 ] - [ -0.0001962000000000, 0.0004451900000000, 0.0002404400000000 ] - [ 0.0015729800000000, -0.0008561400000000, -0.0020291400000000 ] - [ -0.0008308500000000, 0.0002824400000000, -0.0003786300000000 ] - [ 0.0001715900000000, -0.0000529300000000, 0.0002993100000000 ] - [ -0.0000875200000000, 0.0002364600000000, 0.0002163000000000 ] - [ 0.0000124500000000, 0.0007014500000000, -0.0001918700000000 ] - [ -0.0000933900000000, 0.0003639200000000, -0.0002210800000000 ] - [ -0.0003445900000000, -0.0007166700000000, 0.0001643900000000 ] - [ -0.0003506700000000, 0.0001396500000000, 0.0000522300000000 ] - [ 0.0003679200000000, -0.0001808900000000, -0.0000120800000000 ] - [ 0.0003699000000000, -0.0000416900000000, -0.0000084200000000 ] - [ -0.0020117700000000, -0.0030119400000000, 0.0044745200000000 ] - [ -0.0011067500000000, -0.0000410900000000, 0.0000673700000000 ] - [ 0.0004544900000000, 0.0005719100000000, 0.0008509400000000 ] - [ -0.0002856900000000, -0.0001467400000000, 0.0005840000000000 ] - [ -0.0002269400000000, -0.0018931600000000, -0.0006186700000000 ] - [ -0.0004553000000000, 0.0006150200000000, -0.0002499900000000 ] - [ -0.0003390800000000, 0.0011317400000000, -0.0002681000000000 ] - [ -0.0005240800000000, 0.0000117600000000, -0.0004322900000000 ] - [ 0.0011621700000000, 0.0000654000000000, 0.0006488100000000 ] - [ -0.0001974300000000, 0.0001799400000000, 0.0003237300000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005051200000000, -0.0003755500000000, -0.0000742400000000 ] - [ -0.0009483000000000, -0.0004928500000000, -0.0007150700000000 ] - [ -0.0000235800000000, -0.0009892800000000, -0.0001585800000000 ] - [ 0.0001194800000000, -0.0003825600000000, -0.0001177000000000 ] - [ 0.0009726800000000, -0.0005980000000000, 0.0001614300000000 ] - [ -0.0006321600000000, -0.0000775000000000, -0.0000334100000000 ] - [ -0.0016111400000000, 0.0012612700000000, -0.0000414700000000 ] - [ 0.0000897300000000, 0.0010065400000000, 0.0004373800000000 ] - [ -0.0008705700000000, -0.0011117100000000, 0.0002373400000000 ] - [ -0.0001490100000000, -0.0008082900000000, 0.0004975300000000 ] - [ -0.0018417500000000, -0.0001045400000000, -0.0006163800000000 ] - [ 0.0006793900000000, 0.0005879700000000, -0.0003096100000000 ] - [ 0.0004882200000000, -0.0002593700000000, 0.0003740300000000 ] - [ -0.0004230800000000, 0.0007892900000000, -0.0000667400000000 ] - [ -0.0001017600000000, -0.0008282200000000, -0.0003970500000000 ] - [ 0.0005963700000000, -0.0006825100000000, -0.0002796500000000 ] - [ -0.0023918200000000, 0.0035976500000000, -0.0003617700000000 ] - [ 0.0005812300000000, 0.0031344100000000, 0.0001109500000000 ] - [ -0.0011889900000000, 0.0029972400000000, -0.0006377500000000 ] - [ 0.0000177100000000, 0.0028494300000000, -0.0000547600000000 ] - [ 0.0026765700000000, -0.0037303300000000, 0.0008235700000000 ] - [ -0.0003122800000000, 0.0002302200000000, 0.0001694000000000 ] - [ 0.0000597600000000, -0.0009533300000000, 0.0002264800000000 ] - [ 0.0001748700000000, -0.0001993400000000, 0.0002541400000000 ] - [ 0.0028306000000000, -0.0002214100000000, -0.0006617900000000 ] - [ -0.0010211400000000, 0.0006592700000000, -0.0003447700000000 ] - [ 0.0007043400000000, -0.0019072400000000, -0.0001962200000000 ] - [ 0.0003991100000000, -0.0006538100000000, 0.0001550500000000 ] - [ 0.0017448400000000, -0.0010577000000000, 0.0020283000000000 ] - [ -0.0009103300000000, -0.0002987200000000, -0.0000219600000000 ] - [ 0.0005002600000000, -0.0021448400000000, -0.0001950700000000 ] - [ 0.0003191900000000, -0.0011075600000000, -0.0001363900000000 ] - [ 0.0012978400000000, 0.0107987900000000, -0.0026275000000000 ] - [ 0.0006006400000000, 0.0000332500000000, 0.0003164100000000 ] - [ -0.0007884300000000, -0.0010925800000000, 0.0005748200000000 ] - [ -0.0009260200000000, -0.0007489100000000, 0.0005180400000000 ] - [ -0.0023730300000000, -0.0017394500000000, 0.0005357400000000 ] - [ 0.0000976900000000, -0.0002386600000000, -0.0000129700000000 ] - [ 0.0002977100000000, -0.0019373100000000, 0.0003563400000000 ] - [ 0.0002490700000000, -0.0006050900000000, -0.0000794600000000 ] - [ 0.0000150200000000, 0.0114184100000000, 0.0023632300000000 ] - [ 0.0007262400000000, 0.0006279800000000, -0.0005583300000000 ] - [ 0.0001903600000000, -0.0014083200000000, 0.0002064400000000 ] - [ 0.0001018100000000, -0.0003899900000000, 0.0000776000000000 ] - [ -0.0015256400000000, -0.0017153000000000, -0.0014275000000000 ] - [ 0.0001345200000000, -0.0002231900000000, 0.0001899300000000 ] - [ -0.0006125200000000, -0.0017254000000000, -0.0003771500000000 ] - [ -0.0007619100000000, -0.0014028600000000, -0.0003885800000000 ] - [ -0.0004524600000000, 0.0007329000000000, -0.0000095100000000 ] - [ -0.0007024500000000, 0.0003305400000000, -0.0001246400000000 ] - [ -0.0028397100000000, 0.0020100300000000, 0.0062796000000000 ] - [ -0.0000065700000000, -0.0003400800000000, 0.0001685600000000 ] - [ -0.0004198000000000, 0.0002108900000000, -0.0003386900000000 ] - [ 0.0006591400000000, 0.0003088200000000, 0.0001267700000000 ] - [ -0.0043770700000000, 0.0007258200000000, 0.0031467900000000 ] - [ 0.0002690000000000, -0.0008510300000000, 0.0004630900000000 ] - [ 0.0001447800000000, 0.0004282200000000, 0.0000651600000000 ] - [ -0.0003932900000000, 0.0000104900000000, -0.0001821200000000 ] - [ -0.0021066900000000, 0.0020700600000000, -0.0013171700000000 ] - [ 0.0006196200000000, -0.0003070400000000, -0.0006269300000000 ] - [ -0.0003636900000000, -0.0027723700000000, -0.0000770900000000 ] - [ -0.0000329100000000, -0.0007710800000000, 0.0000195900000000 ] - [ -0.0000393900000000, 0.0008258000000000, 0.0001856600000000 ] - [ -0.0000538400000000, 0.0003398600000000, 0.0001932700000000 ] - [ -0.0013074400000000, -0.0023021100000000, -0.0003330400000000 ] - [ -0.0001317200000000, -0.0015013100000000, -0.0003420800000000 ] - [ 0.0013453300000000, -0.0002689100000000, 0.0000884300000000 ] - [ -0.0005294200000000, -0.0004326100000000, -0.0002199800000000 ] - [ 0.0003129200000000, 0.0006020800000000, -0.0000856400000000 ] - [ 0.0001339800000000, 0.0002837900000000, -0.0001414900000000 ] - [ -0.0002879300000000, 0.0006439600000000, 0.0002854200000000 ] - [ -0.0003621400000000, 0.0006605300000000, 0.0002560800000000 ] - [ 0.0000293500000000, 0.0009019400000000, 0.0000725700000000 ] - [ 0.0001295900000000, 0.0004807500000000, 0.0001458000000000 ] - [ -0.0005532400000000, 0.0007622900000000, -0.0008076700000000 ] - [ -0.0000149100000000, 0.0002410500000000, -0.0003700300000000 ] - [ 0.0002142000000000, 0.0006005000000000, -0.0002343400000000 ] - [ 0.0003759200000000, 0.0001712800000000, -0.0002490600000000 ] - [ 0.0000085600000000, 0.0002188000000000, -0.0000205500000000 ] - [ 0.0000685300000000, 0.0001000000000000, -0.0000010600000000 ] - [ 0.0039064800000000, -0.0024601900000000, -0.0023669800000000 ] - [ -0.0002111300000000, -0.0006784800000000, 0.0000127200000000 ] - [ -0.0007120300000000, -0.0276517600000000, 0.0007211900000000 ] - [ -0.0006749600000000, -0.0006487800000000, 0.0002800200000000 ] - [ 0.0002140700000000, 0.0011473500000000, -0.0062950200000000 ] - [ 0.0001344700000000, -0.0002602300000000, -0.0000010800000000 ] - [ 0.0003287700000000, 0.0001022000000000, 0.0002951200000000 ] - [ 0.0004138000000000, -0.0002913200000000, 0.0003404100000000 ] - [ -0.0006856700000000, -0.0007383200000000, -0.0004315100000000 ] - [ 0.0003582600000000, -0.0002324600000000, 0.0000034200000000 ] - [ 0.0006458400000000, -0.0000866000000000, 0.0001054700000000 ] - [ -0.0009056000000000, -0.0003096000000000, -0.0005228800000000 ] - [ -0.0009865200000000, 0.0016479700000000, -0.0000349000000000 ] - [ -0.0006207300000000, 0.0002734800000000, 0.0000564900000000 ] - [ -0.0005405200000000, 0.0009989800000000, 0.0000003200000000 ] - [ 0.0000608200000000, 0.0003823600000000, 0.0000570400000000 ] - [ 0.0010912100000000, 0.0007044800000000, 0.0000558800000000 ] - [ 0.0004803100000000, 0.0001573200000000, -0.0001503800000000 ] - [ -0.0002503800000000, 0.0004893200000000, 0.0006598000000000 ] - [ -0.0003039900000000, 0.0000505900000000, 0.0006423500000000 ] - [ 0.0001753500000000, 0.0007031000000000, 0.0000916100000000 ] - [ 0.0000270900000000, 0.0003647700000000, 0.0000574000000000 ] - [ 0.0000167700000000, 0.0012597600000000, 0.0001776300000000 ] - [ 0.0001483200000000, 0.0009050900000000, 0.0001864700000000 ] - [ 0.0026803500000000, -0.0021675700000000, 0.0032094200000000 ] - [ 0.0005250300000000, -0.0003648600000000, -0.0001737400000000 ] - [ 0.0000256100000000, 0.0010663800000000, -0.0009982600000000 ] - [ -0.0001294100000000, 0.0000853900000000, -0.0006871500000000 ] - [ 0.0007252600000000, 0.0007678400000000, -0.0010743100000000 ] - [ 0.0001145200000000, -0.0003125800000000, 0.0000958100000000 ] - [ -0.0021871500000000, 0.0024912700000000, -0.0047209700000000 ] - [ 0.0002254600000000, 0.0002815100000000, 0.0002472000000000 ] - [ 0.0006488000000000, 0.0002114200000000, -0.0002941400000000 ] - [ 0.0006919100000000, 0.0000364200000000, -0.0002818600000000 ] - [ 0.0003985300000000, 0.0007945400000000, 0.0010485500000000 ] - [ 0.0000467000000000, -0.0002726800000000, -0.0001501400000000 ] - [ -0.0011531700000000, -0.0005852200000000, 0.0000040200000000 ] - [ -0.0000366500000000, -0.0007576700000000, 0.0004022700000000 ] - [ 0.0003664300000000, 0.0003451300000000, -0.0002174700000000 ] - [ 0.0004058900000000, -0.0002787800000000, -0.0002079900000000 ] - [ -0.0001073000000000, -0.0001055000000000, -0.0004335400000000 ] - [ 0.0001166800000000, -0.0001577100000000, -0.0003149900000000 ] - [ -0.0003364800000000, 0.0013713000000000, 0.0000633500000000 ] - [ 0.0001986600000000, 0.0007725100000000, 0.0003238400000000 ] - [ 0.0012843200000000, -0.0001774700000000, 0.0041245900000000 ] - [ -0.0002355200000000, -0.0001631000000000, -0.0001198000000000 ] - [ 0.0002498900000000, 0.0008178900000000, 0.0002440800000000 ] - [ -0.0001302300000000, 0.0004570600000000, 0.0002048500000000 ] - [ -0.0001341300000000, 0.0010709200000000, -0.0002040300000000 ] - [ 0.0001374800000000, 0.0010491000000000, -0.0001971300000000 ] - [ 0.0002433700000000, 0.0003127800000000, 0.0001277200000000 ] - [ -0.0006937000000000, 0.0001594900000000, -0.0000006400000000 ] - [ 0.0005027300000000, 0.0004191300000000, -0.0000119200000000 ] - [ 0.0004395900000000, 0.0004094900000000, -0.0000180900000000 ] - [ 0.0025573700000000, -0.0003627300000000, -0.0027490900000000 ] - [ -0.0004587300000000, -0.0004992000000000, 0.0001574900000000 ] - [ -0.0003672500000000, 0.0006999300000000, 0.0008282000000000 ] - [ 0.0004567100000000, 0.0001688800000000, 0.0007755800000000 ] - [ 0.0022304500000000, 0.0015052900000000, 0.0004164900000000 ] - [ -0.0000767500000000, -0.0000595500000000, -0.0001584800000000 ] - [ -0.0006480100000000, 0.0006510800000000, -0.0002796800000000 ] - [ 0.0018173700000000, 0.0011935900000000, 0.0000606700000000 ] - [ 0.0001676000000000, 0.0012159100000000, 0.0008257100000000 ] - [ 0.0002346200000000, 0.0001874800000000, 0.0004550100000000 ]- atom: 83 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009106900000000, 0.0010167100000000, -0.0004378500000000 ] - [ 0.0005356200000000, 0.0011305300000000, 0.0001969100000000 ] - [ 0.0002329700000000, 0.0017332600000000, -0.0001051400000000 ] - [ 0.0000910200000000, 0.0011291200000000, -0.0001449700000000 ] - [ -0.0009049100000000, 0.0020501000000000, -0.0003026200000000 ] - [ 0.0006889900000000, 0.0015304100000000, -0.0001070700000000 ] - [ 0.0012000900000000, -0.0006507200000000, 0.0007347200000000 ] - [ -0.0005013900000000, -0.0004135000000000, 0.0002556900000000 ] - [ -0.0001768800000000, 0.0011118600000000, 0.0004649900000000 ] - [ -0.0008998300000000, 0.0008094500000000, 0.0002041500000000 ] - [ 0.0030322100000000, 0.0004805000000000, -0.0000439200000000 ] - [ 0.0003673100000000, -0.0005789700000000, -0.0003926100000000 ] - [ -0.0005483900000000, 0.0017066200000000, -0.0002313100000000 ] - [ 0.0003593300000000, 0.0006619300000000, 0.0002089000000000 ] - [ 0.0005130700000000, 0.0014133300000000, -0.0002964700000000 ] - [ -0.0001867700000000, 0.0012675200000000, -0.0004138400000000 ] - [ 0.0021559700000000, -0.0028619500000000, 0.0006175700000000 ] - [ -0.0007823500000000, -0.0023924900000000, 0.0001524800000000 ] - [ 0.0008037100000000, -0.0019732000000000, 0.0001201300000000 ] - [ -0.0003869300000000, -0.0018305100000000, -0.0004579500000000 ] - [ -0.0022851100000000, 0.0043818200000000, -0.0003158900000000 ] - [ 0.0007190300000000, 0.0004049200000000, 0.0003428800000000 ] - [ 0.0003163100000000, 0.0019709800000000, 0.0002896300000000 ] - [ 0.0002021000000000, 0.0012205000000000, 0.0002622700000000 ] - [ -0.0031259400000000, 0.0003113400000000, 0.0004703100000000 ] - [ 0.0007121700000000, -0.0005748100000000, 0.0001580500000000 ] - [ 0.0002765100000000, 0.0011912400000000, 0.0005360400000000 ] - [ 0.0005786600000000, -0.0000544400000000, 0.0001910400000000 ] - [ -0.0025150400000000, -0.0003228300000000, -0.0017615500000000 ] - [ 0.0001383000000000, -0.0010894700000000, 0.0002797000000000 ] - [ 0.0002737900000000, 0.0007500600000000, -0.0000647500000000 ] - [ 0.0004549000000000, -0.0002877200000000, -0.0001247300000000 ] - [ 0.0001172100000000, -0.0121065300000000, 0.0032524000000000 ] - [ 0.0008034700000000, -0.0014033300000000, 0.0004015700000000 ] - [ -0.0009343900000000, 0.0009336600000000, 0.0004780700000000 ] - [ -0.0007988700000000, 0.0005900600000000, 0.0005335600000000 ] - [ 0.0014033900000000, 0.0010181900000000, -0.0008855900000000 ] - [ -0.0010749900000000, -0.0004750300000000, -0.0003295200000000 ] - [ 0.0002950600000000, 0.0012490100000000, -0.0004911700000000 ] - [ 0.0003416800000000, -0.0000760700000000, -0.0000611700000000 ] - [ 0.0016773100000000, -0.0115209100000000, -0.0033420000000000 ] - [ 0.0009982400000000, -0.0007920900000000, -0.0005006300000000 ] - [ 0.0001092900000000, 0.0014834700000000, -0.0000169400000000 ] - [ 0.0001990300000000, 0.0004668300000000, 0.0001127000000000 ] - [ 0.0009303800000000, 0.0010187700000000, 0.0015868300000000 ] - [ -0.0007306100000000, -0.0004670000000000, -0.0000394400000000 ] - [ -0.0007923500000000, 0.0003523400000000, -0.0003502200000000 ] - [ -0.0006456900000000, 0.0000301200000000, -0.0003385000000000 ] - [ -0.0006664100000000, -0.0006644600000000, -0.0001519500000000 ] - [ -0.0004177400000000, -0.0002646500000000, -0.0000381000000000 ] - [ 0.0024758300000000, -0.0020444500000000, -0.0059564100000000 ] - [ -0.0003284700000000, 0.0003048500000000, 0.0000886000000000 ] - [ 0.0006501000000000, 0.0001609400000000, 0.0003147800000000 ] - [ -0.0004257000000000, 0.0000620000000000, -0.0001484400000000 ] - [ 0.0043749500000000, -0.0019456300000000, -0.0024198600000000 ] - [ -0.0002974400000000, -0.0003697500000000, 0.0002877500000000 ] - [ -0.0005352900000000, -0.0008616900000000, -0.0003126200000000 ] - [ 0.0000031300000000, -0.0004440100000000, -0.0000643700000000 ] - [ 0.0027051800000000, -0.0023048500000000, 0.0000307500000000 ] - [ 0.0000083700000000, 0.0000481500000000, -0.0006519800000000 ] - [ 0.0002299600000000, 0.0020735900000000, 0.0000776500000000 ] - [ -0.0000961000000000, 0.0000729400000000, -0.0000175400000000 ] - [ -0.0001690000000000, -0.0005268200000000, 0.0001515600000000 ] - [ -0.0001537000000000, -0.0000428500000000, 0.0001443700000000 ] - [ 0.0004592600000000, 0.0010231600000000, -0.0003917100000000 ] - [ -0.0007259700000000, 0.0002260500000000, -0.0003804400000000 ] - [ -0.0002241700000000, 0.0003385500000000, 0.0000749600000000 ] - [ 0.0016484200000000, 0.0005024100000000, 0.0003824000000000 ] - [ 0.0000226600000000, -0.0006344500000000, -0.0001712700000000 ] - [ 0.0002024000000000, -0.0003162500000000, -0.0001153800000000 ] - [ -0.0004961600000000, -0.0002945000000000, 0.0001850000000000 ] - [ -0.0004209400000000, -0.0003105500000000, 0.0002146400000000 ] - [ 0.0002346900000000, -0.0004777700000000, 0.0001941600000000 ] - [ 0.0001351900000000, -0.0000584300000000, 0.0001219300000000 ] - [ 0.0000741500000000, -0.0004707800000000, -0.0000995300000000 ] - [ -0.0004610300000000, 0.0000502600000000, -0.0005334400000000 ] - [ 0.0004805000000000, -0.0008092900000000, -0.0002387900000000 ] - [ 0.0003207900000000, -0.0003818000000000, -0.0002245600000000 ] - [ 0.0001204400000000, -0.0009151200000000, 0.0000184900000000 ] - [ 0.0000612000000000, -0.0007963400000000, -0.0000007300000000 ] - [ -0.0046941300000000, 0.0022762500000000, 0.0023942500000000 ] - [ -0.0005582700000000, 0.0005332700000000, 0.0000100100000000 ] - [ -0.0007384800000000, 0.0265984800000000, -0.0001797400000000 ] - [ -0.0007265600000000, 0.0000515000000000, 0.0002829200000000 ] - [ -0.0002786700000000, -0.0010084100000000, 0.0061331200000000 ] - [ -0.0002018600000000, 0.0004108000000000, -0.0001058900000000 ] - [ 0.0005261500000000, -0.0013711100000000, 0.0004263700000000 ] - [ 0.0004412400000000, -0.0009783500000000, 0.0003808200000000 ] - [ 0.0004761200000000, 0.0018209400000000, 0.0001195100000000 ] - [ -0.0005735700000000, 0.0013183500000000, -0.0003187000000000 ] - [ -0.0008047400000000, 0.0003988900000000, -0.0006270800000000 ] - [ 0.0007441500000000, 0.0006204300000000, 0.0000009800000000 ] - [ -0.0003490700000000, -0.0012864200000000, 0.0001466900000000 ] - [ -0.0007085800000000, 0.0000756900000000, 0.0000568400000000 ] - [ 0.0003081500000000, -0.0006231500000000, 0.0000198800000000 ] - [ -0.0002939700000000, -0.0000064100000000, -0.0000360800000000 ] - [ 0.0002390500000000, -0.0003491300000000, -0.0001692600000000 ] - [ 0.0008492800000000, 0.0001940100000000, 0.0000369700000000 ] - [ -0.0003764300000000, -0.0007447700000000, 0.0006183100000000 ] - [ -0.0003222500000000, -0.0003060200000000, 0.0006360400000000 ] - [ -0.0001079200000000, -0.0005507600000000, 0.0000156100000000 ] - [ 0.0000409900000000, -0.0002126800000000, 0.0000501000000000 ] - [ 0.0001950600000000, -0.0001695300000000, 0.0001367500000000 ] - [ 0.0000632400000000, 0.0001845000000000, 0.0001280900000000 ] - [ -0.0019086600000000, 0.0024802600000000, -0.0036938400000000 ] - [ 0.0002618400000000, 0.0007111800000000, -0.0002967300000000 ] - [ -0.0002292200000000, -0.0009993500000000, -0.0003509300000000 ] - [ -0.0000722700000000, -0.0000177900000000, -0.0006646000000000 ] - [ -0.0003299300000000, -0.0012025800000000, 0.0013032600000000 ] - [ 0.0002760200000000, -0.0001246600000000, 0.0001504700000000 ] - [ 0.0022375800000000, -0.0013931600000000, 0.0051822700000000 ] - [ -0.0001889000000000, 0.0008170600000000, 0.0001735200000000 ] - [ 0.0007524100000000, -0.0008068000000000, -0.0002687900000000 ] - [ 0.0007101400000000, -0.0006318500000000, -0.0002808300000000 ] - [ -0.0000070400000000, -0.0011933200000000, -0.0012612900000000 ] - [ 0.0003469300000000, -0.0001295800000000, -0.0000783000000000 ] - [ 0.0004462900000000, -0.0004573400000000, 0.0004341200000000 ] - [ -0.0006692700000000, -0.0002848500000000, 0.0000375600000000 ] - [ 0.0003392300000000, -0.0013826000000000, -0.0002209600000000 ] - [ 0.0003002400000000, -0.0007580300000000, -0.0002305000000000 ] - [ 0.0001380500000000, -0.0011166000000000, -0.0003177900000000 ] - [ -0.0000842900000000, -0.0010638400000000, -0.0004353500000000 ] - [ 0.0003759300000000, -0.0001465500000000, 0.0004953400000000 ] - [ -0.0001587700000000, 0.0004525600000000, 0.0002339300000000 ] - [ -0.0015469600000000, 0.0006218500000000, -0.0043989800000000 ] - [ -0.0000277600000000, 0.0005854900000000, -0.0001486200000000 ] - [ -0.0000879800000000, -0.0005067300000000, 0.0002775800000000 ] - [ 0.0002896500000000, -0.0001482500000000, 0.0003170800000000 ] - [ 0.0000973000000000, 0.0000279800000000, -0.0002154800000000 ] - [ -0.0001720500000000, 0.0000503800000000, -0.0002223800000000 ] - [ -0.0006383500000000, -0.0007113600000000, 0.0001014000000000 ] - [ 0.0003000800000000, -0.0005588200000000, 0.0002290100000000 ] - [ 0.0002697100000000, -0.0005607800000000, -0.0000098100000000 ] - [ 0.0003337600000000, -0.0005510600000000, -0.0000032600000000 ] - [ -0.0032555700000000, 0.0001731300000000, 0.0032284500000000 ] - [ -0.0002383500000000, 0.0002884900000000, 0.0003157600000000 ] - [ 0.0005658400000000, -0.0006343500000000, 0.0005258800000000 ] - [ -0.0002517100000000, -0.0001026100000000, 0.0005778400000000 ] - [ -0.0020398200000000, -0.0012147100000000, -0.0007586900000000 ] - [ 0.0002837900000000, 0.0003583300000000, -0.0001790100000000 ] - [ 0.0006048500000000, 0.0005698500000000, -0.0002773500000000 ] - [ -0.0018357800000000, 0.0000335500000000, -0.0006148000000000 ] - [ 0.0003078100000000, -0.0009250600000000, 0.0000746000000000 ] - [ 0.0002412000000000, 0.0001045900000000, 0.0004490300000000 ]- atom: 83 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0001168800000000, 0.0003362600000000, -0.0005350900000000 ] - [ -0.0003401400000000, 0.0001520500000000, -0.0002844300000000 ] - [ 0.0001226600000000, 0.0003773000000000, -0.0002012000000000 ] - [ 0.0000914600000000, 0.0003795200000000, -0.0001335600000000 ] - [ -0.0000330900000000, 0.0007379300000000, 0.0002099000000000 ] - [ 0.0001157000000000, 0.0008205700000000, -0.0000439000000000 ] - [ 0.0010671500000000, 0.0003553000000000, -0.0046780800000000 ] - [ -0.0005026400000000, 0.0003918400000000, 0.0002615600000000 ] - [ -0.0004715700000000, 0.0000066300000000, 0.0002145800000000 ] - [ -0.0005940100000000, 0.0000580900000000, 0.0003362000000000 ] - [ -0.0014762500000000, 0.0000060100000000, 0.0067502700000000 ] - [ 0.0007087300000000, -0.0000380600000000, -0.0003070700000000 ] - [ 0.0006384500000000, 0.0008769900000000, -0.0028306000000000 ] - [ -0.0002118100000000, 0.0006428600000000, 0.0000175600000000 ] - [ 0.0001777900000000, 0.0002782700000000, -0.0002306000000000 ] - [ 0.0002474300000000, 0.0002293900000000, -0.0003284700000000 ] - [ -0.0010218300000000, 0.0004707900000000, 0.0028789400000000 ] - [ 0.0022466500000000, -0.0003783600000000, 0.0005301200000000 ] - [ 0.0006532900000000, 0.0005360100000000, -0.0033150700000000 ] - [ -0.0021881500000000, 0.0010717100000000, -0.0009035200000000 ] - [ -0.0004675800000000, 0.0003582800000000, 0.0027878700000000 ] - [ 0.0003742100000000, 0.0004157800000000, 0.0003129600000000 ] - [ 0.0001674000000000, 0.0005134500000000, 0.0003326800000000 ] - [ 0.0002004400000000, 0.0005104400000000, 0.0002622400000000 ] - [ 0.0023716500000000, -0.0022247900000000, 0.0006372300000000 ] - [ -0.0002155400000000, 0.0000762100000000, 0.0002050200000000 ] - [ 0.0004127200000000, -0.0008001400000000, 0.0002025200000000 ] - [ 0.0004811200000000, -0.0003491800000000, 0.0001635600000000 ] - [ -0.0029237500000000, 0.0016852000000000, -0.0004022200000000 ] - [ -0.0002946200000000, -0.0006612500000000, -0.0001288600000000 ] - [ 0.0004593500000000, -0.0009983300000000, -0.0001385200000000 ] - [ 0.0003822700000000, -0.0007041600000000, -0.0001227200000000 ] - [ -0.0034780900000000, -0.0049123400000000, 0.0411814800000000 ] - [ 0.0007010000000000, -0.0006992200000000, 0.0003510500000000 ] - [ -0.0008734800000000, -0.0000650000000000, 0.0005191300000000 ] - [ -0.0008629900000000, -0.0000811500000000, 0.0005149200000000 ] - [ 0.0007085600000000, 0.0018407100000000, 0.0005215900000000 ] - [ -0.0005483500000000, -0.0003486600000000, 0.0000264400000000 ] - [ 0.0003232700000000, 0.0000783300000000, -0.0000177300000000 ] - [ 0.0002848100000000, -0.0003344200000000, -0.0000675500000000 ] - [ -0.0130935800000000, 0.0036490500000000, 0.0343053100000000 ] - [ 0.0008515900000000, -0.0000838500000000, -0.0005267200000000 ] - [ 0.0001093500000000, 0.0003450500000000, 0.0000663400000000 ] - [ 0.0001500400000000, 0.0000319800000000, 0.0000880800000000 ] - [ -0.0014992100000000, -0.0026535400000000, -0.0000493700000000 ] - [ -0.0002521500000000, -0.0003442400000000, -0.0001244300000000 ] - [ -0.0006807700000000, -0.0006946300000000, -0.0003602000000000 ] - [ -0.0007109600000000, -0.0006883600000000, -0.0003536000000000 ] - [ -0.0005449000000000, 0.0001185100000000, -0.0000839100000000 ] - [ -0.0005623600000000, 0.0000301100000000, -0.0000715200000000 ] - [ -0.0036292800000000, 0.0083651700000000, 0.0076182900000000 ] - [ -0.0001532200000000, -0.0000186700000000, 0.0001224800000000 ] - [ 0.0002490500000000, 0.0000078900000000, 0.0000005400000000 ] - [ 0.0000501700000000, 0.0001587000000000, 0.0001690800000000 ] - [ -0.0039823000000000, 0.0034492600000000, 0.0017479200000000 ] - [ 0.0000165700000000, -0.0006049700000000, 0.0002941300000000 ] - [ -0.0001176500000000, -0.0000588800000000, -0.0000931100000000 ] - [ -0.0002094200000000, -0.0002074400000000, -0.0000566300000000 ] - [ 0.0007814600000000, -0.0002106800000000, -0.0023047100000000 ] - [ 0.0002328500000000, -0.0001736600000000, -0.0006559500000000 ] - [ -0.0015000000000000, -0.0003426100000000, 0.0052291700000000 ] - [ 0.0000085600000000, -0.0003406900000000, 0.0000228600000000 ] - [ -0.0001419400000000, 0.0001496700000000, 0.0003365500000000 ] - [ -0.0000939000000000, 0.0001447900000000, 0.0001724700000000 ] - [ -0.0021079200000000, -0.0004942700000000, -0.0005681900000000 ] - [ -0.0003225900000000, -0.0006702400000000, -0.0011630000000000 ] - [ -0.0001049900000000, -0.0001516400000000, -0.0001845500000000 ] - [ 0.0008282100000000, 0.0000235400000000, -0.0006996800000000 ] - [ 0.0001375900000000, -0.0000817000000000, -0.0001422000000000 ] - [ 0.0001698900000000, -0.0000133900000000, -0.0001359100000000 ] - [ -0.0004026000000000, 0.0001732200000000, 0.0002331800000000 ] - [ -0.0003844300000000, 0.0001736200000000, 0.0002209300000000 ] - [ 0.0001269200000000, 0.0001711300000000, 0.0001201200000000 ] - [ 0.0001329900000000, 0.0002111600000000, 0.0001361900000000 ] - [ -0.0000859900000000, -0.0003100100000000, -0.0004223400000000 ] - [ -0.0002412300000000, 0.0001508800000000, -0.0004102300000000 ] - [ 0.0003575200000000, -0.0000619600000000, -0.0002547500000000 ] - [ 0.0003495200000000, -0.0001057900000000, -0.0002378800000000 ] - [ 0.0000684700000000, -0.0003482700000000, -0.0000275900000000 ] - [ 0.0000602700000000, -0.0003459000000000, -0.0000008200000000 ] - [ -0.0091174500000000, -0.0038631200000000, 0.0025760800000000 ] - [ -0.0003715000000000, -0.0000884900000000, -0.0001683300000000 ] - [ 0.0298193600000000, 0.0005232200000000, -0.1213370700000000 ] - [ -0.0007626700000000, -0.0003045400000000, 0.0002643700000000 ] - [ -0.0000462600000000, -0.0075407900000000, 0.0086186500000000 ] - [ -0.0000218000000000, 0.0000752400000000, -0.0000251100000000 ] - [ 0.0004332000000000, -0.0006660400000000, 0.0003649100000000 ] - [ 0.0004272500000000, -0.0006329300000000, 0.0003665300000000 ] - [ 0.0010035000000000, 0.0004166700000000, 0.0002179700000000 ] - [ -0.0004308300000000, 0.0005073700000000, 0.0007402900000000 ] - [ 0.0006532300000000, 0.0003590100000000, -0.0001204300000000 ] - [ -0.0002208400000000, 0.0001607400000000, 0.0005403800000000 ] - [ -0.0005987900000000, 0.0001757200000000, -0.0001762500000000 ] - [ -0.0006734100000000, 0.0001721100000000, 0.0000549500000000 ] - [ -0.0001662300000000, 0.0003790800000000, 0.0000388700000000 ] - [ -0.0001007800000000, 0.0001995200000000, -0.0000296000000000 ] - [ 0.0003228700000000, 0.0001169000000000, 0.0009550900000000 ] - [ 0.0007224000000000, 0.0001281400000000, -0.0000405300000000 ] - [ -0.0003662000000000, -0.0001386600000000, 0.0008173500000000 ] - [ -0.0002979400000000, -0.0001192600000000, 0.0006442200000000 ] - [ 0.0000494100000000, 0.0001320300000000, 0.0000546200000000 ] - [ 0.0000323800000000, 0.0000794800000000, 0.0000596600000000 ] - [ 0.0001018700000000, 0.0005774600000000, 0.0001558600000000 ] - [ 0.0001081700000000, 0.0005474200000000, 0.0001531000000000 ] - [ 0.0061641100000000, 0.0032770400000000, 0.0052127300000000 ] - [ 0.0003179600000000, 0.0001705700000000, -0.0000852000000000 ] - [ -0.0000706600000000, -0.0006924600000000, -0.0007350500000000 ] - [ -0.0001079800000000, 0.0000377500000000, -0.0006825200000000 ] - [ -0.0000865000000000, -0.0007894200000000, -0.0000385800000000 ] - [ 0.0002176200000000, -0.0002303800000000, 0.0000768900000000 ] - [ 0.0026208400000000, -0.0041318000000000, 0.0033757300000000 ] - [ -0.0000123100000000, 0.0005455800000000, 0.0002992700000000 ] - [ 0.0006908500000000, -0.0002979500000000, -0.0002528400000000 ] - [ 0.0007053000000000, -0.0002985300000000, -0.0002797200000000 ] - [ 0.0005042600000000, 0.0002459900000000, -0.0001320400000000 ] - [ 0.0001897700000000, -0.0002124900000000, -0.0000670600000000 ] - [ -0.0006067300000000, -0.0005776000000000, 0.0014570400000000 ] - [ -0.0001461900000000, -0.0003766900000000, 0.0002912100000000 ] - [ 0.0003885300000000, -0.0005255400000000, -0.0003677000000000 ] - [ 0.0003451700000000, -0.0005320000000000, -0.0002210000000000 ] - [ 0.0000427000000000, -0.0006449300000000, -0.0003680800000000 ] - [ 0.0000100600000000, -0.0006086800000000, -0.0003459800000000 ] - [ 0.0000773400000000, 0.0004067400000000, 0.0003074000000000 ] - [ 0.0000103100000000, 0.0006222500000000, 0.0003219600000000 ] - [ 0.0029884900000000, 0.0044627100000000, 0.0065846400000000 ] - [ -0.0000992300000000, 0.0001808000000000, 0.0000601800000000 ] - [ 0.0000597300000000, 0.0000691700000000, 0.0002496100000000 ] - [ 0.0000827600000000, 0.0001524600000000, 0.0002495500000000 ] - [ -0.0000504700000000, 0.0005811200000000, -0.0002185500000000 ] - [ -0.0000079100000000, 0.0005523800000000, -0.0002403900000000 ] - [ -0.0002776400000000, -0.0003261900000000, 0.0000816200000000 ] - [ -0.0001673800000000, -0.0001954500000000, 0.0000461100000000 ] - [ 0.0003901500000000, -0.0000654200000000, -0.0000056600000000 ] - [ 0.0003853900000000, -0.0000727800000000, 0.0000080000000000 ] - [ -0.0057013300000000, -0.0043356900000000, 0.0046078300000000 ] - [ -0.0002224400000000, -0.0001359200000000, 0.0001240400000000 ] - [ -0.0001228800000000, 0.0005669600000000, 0.0005860500000000 ] - [ 0.0001192800000000, 0.0000377000000000, 0.0006396400000000 ] - [ 0.0004702900000000, 0.0001988800000000, -0.0015615200000000 ] - [ -0.0000553200000000, 0.0003651100000000, -0.0002248500000000 ] - [ -0.0001611300000000, 0.0007912300000000, -0.0003277000000000 ] - [ 0.0000277100000000, 0.0005608500000000, -0.0005130900000000 ] - [ 0.0001852000000000, 0.0009176100000000, 0.0004034100000000 ] - [ 0.0002283500000000, 0.0001516300000000, 0.0004540400000000 ]- atom: 83 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0002892800000000, 0.0003002000000000, 0.0000232800000000 ] - [ -0.0000666700000000, 0.0004874100000000, -0.0002247400000000 ] - [ 0.0000882300000000, 0.0003718600000000, -0.0000617500000000 ] - [ 0.0001199200000000, 0.0003691000000000, -0.0001288300000000 ] - [ 0.0000931300000000, 0.0007204800000000, -0.0003528000000000 ] - [ -0.0000512800000000, 0.0006354100000000, -0.0001004200000000 ] - [ -0.0014949900000000, 0.0002158400000000, 0.0053658600000000 ] - [ 0.0000944000000000, 0.0001964300000000, 0.0004311000000000 ] - [ -0.0005757300000000, 0.0000006000000000, 0.0004885000000000 ] - [ -0.0004542000000000, -0.0000528800000000, 0.0003670500000000 ] - [ 0.0025399800000000, 0.0000312200000000, -0.0074483500000000 ] - [ 0.0003398500000000, 0.0000426600000000, -0.0003932800000000 ] - [ -0.0007064400000000, 0.0005890300000000, 0.0029722100000000 ] - [ 0.0001505500000000, 0.0008118900000000, 0.0001255100000000 ] - [ 0.0002315200000000, 0.0003104600000000, -0.0004625700000000 ] - [ 0.0001621500000000, 0.0003600400000000, -0.0003648300000000 ] - [ 0.0007833900000000, 0.0002694700000000, -0.0026233200000000 ] - [ -0.0024561000000000, 0.0011258200000000, -0.0002744500000000 ] - [ -0.0010124900000000, 0.0004834900000000, 0.0028056700000000 ] - [ 0.0018098500000000, -0.0000489000000000, 0.0003944400000000 ] - [ 0.0008813800000000, 0.0002662400000000, -0.0022728400000000 ] - [ 0.0000342300000000, 0.0002231000000000, 0.0002017100000000 ] - [ 0.0002096400000000, 0.0005117900000000, 0.0001841000000000 ] - [ 0.0001765200000000, 0.0005134000000000, 0.0002547800000000 ] - [ -0.0026730000000000, 0.0022972200000000, -0.0008002800000000 ] - [ -0.0000830400000000, -0.0000024300000000, -0.0003893400000000 ] - [ 0.0005631000000000, 0.0000920300000000, 0.0001424500000000 ] - [ 0.0004989600000000, -0.0003588200000000, 0.0001780100000000 ] - [ 0.0021662900000000, -0.0030841400000000, 0.0006416600000000 ] - [ -0.0004782000000000, -0.0007328500000000, 0.0003871100000000 ] - [ 0.0003148700000000, -0.0003935900000000, -0.0001223100000000 ] - [ 0.0003920300000000, -0.0006883600000000, -0.0001374500000000 ] - [ 0.0047280600000000, 0.0030819600000000, -0.0372169800000000 ] - [ 0.0007063100000000, -0.0006741600000000, 0.0003675100000000 ] - [ -0.0008505400000000, -0.0000910800000000, 0.0005338700000000 ] - [ -0.0008585500000000, -0.0000758900000000, 0.0005388200000000 ] - [ -0.0016850400000000, -0.0025433000000000, -0.0008430400000000 ] - [ -0.0004276800000000, -0.0003622400000000, -0.0003626000000000 ] - [ 0.0002678100000000, -0.0007603900000000, -0.0001264700000000 ] - [ 0.0003069700000000, -0.0003484800000000, -0.0000720000000000 ] - [ 0.0162009500000000, -0.0042889900000000, -0.0383160800000000 ] - [ 0.0008714500000000, -0.0000819500000000, -0.0005320600000000 ] - [ 0.0001895300000000, -0.0002648100000000, 0.0001272800000000 ] - [ 0.0001500300000000, 0.0000464000000000, 0.0001044600000000 ] - [ 0.0009098500000000, 0.0019735400000000, 0.0001877500000000 ] - [ -0.0003446900000000, -0.0003433900000000, 0.0002750500000000 ] - [ -0.0007258000000000, -0.0006757500000000, -0.0003655000000000 ] - [ -0.0006951100000000, -0.0006830400000000, -0.0003727800000000 ] - [ -0.0005739200000000, -0.0000540500000000, -0.0000794700000000 ] - [ -0.0005569100000000, 0.0000351200000000, -0.0000915700000000 ] - [ 0.0032503900000000, -0.0082708600000000, -0.0072743600000000 ] - [ -0.0001834700000000, -0.0000127000000000, 0.0001348600000000 ] - [ -0.0000177600000000, 0.0003661300000000, -0.0000183800000000 ] - [ 0.0001829100000000, 0.0002175200000000, -0.0001884800000000 ] - [ 0.0039666300000000, -0.0046892900000000, -0.0009829300000000 ] - [ -0.0000448300000000, -0.0006165100000000, 0.0004563200000000 ] - [ -0.0002744900000000, -0.0003770000000000, -0.0001525200000000 ] - [ -0.0001818900000000, -0.0002283300000000, -0.0001905300000000 ] - [ -0.0001432900000000, -0.0000635000000000, 0.0010307600000000 ] - [ 0.0003919500000000, -0.0000816000000000, -0.0006207800000000 ] - [ 0.0013846000000000, -0.0003546900000000, -0.0052222700000000 ] - [ -0.0001362200000000, -0.0003561200000000, -0.0000198700000000 ] - [ -0.0000629700000000, 0.0001454900000000, 0.0000022800000000 ] - [ -0.0001117900000000, 0.0001498200000000, 0.0001661400000000 ] - [ 0.0012524000000000, -0.0007730300000000, -0.0001645900000000 ] - [ -0.0005352100000000, -0.0005974800000000, 0.0004418000000000 ] - [ 0.0012211700000000, 0.0002163000000000, 0.0003427700000000 ] - [ 0.0002882200000000, 0.0000439400000000, 0.0008629400000000 ] - [ 0.0001988200000000, 0.0000497600000000, -0.0001143300000000 ] - [ 0.0001660000000000, -0.0000184000000000, -0.0001205500000000 ] - [ -0.0003824300000000, 0.0001771400000000, 0.0002374900000000 ] - [ -0.0004007200000000, 0.0001768900000000, 0.0002499300000000 ] - [ 0.0001382200000000, 0.0002495400000000, 0.0001502600000000 ] - [ 0.0001310800000000, 0.0002102000000000, 0.0001333500000000 ] - [ -0.0003928100000000, 0.0006029100000000, -0.0004762200000000 ] - [ -0.0002370300000000, 0.0001398800000000, -0.0004917100000000 ] - [ 0.0003398300000000, -0.0001504500000000, -0.0002199800000000 ] - [ 0.0003466600000000, -0.0001061300000000, -0.0002365800000000 ] - [ 0.0000597900000000, -0.0003493200000000, 0.0000262900000000 ] - [ 0.0000670800000000, -0.0003515800000000, -0.0000005400000000 ] - [ 0.0084155600000000, 0.0037541100000000, -0.0025387800000000 ] - [ -0.0003972800000000, -0.0000529200000000, 0.0001917500000000 ] - [ -0.0325089200000000, -0.0003385800000000, 0.1215308700000000 ] - [ -0.0006374400000000, -0.0002888600000000, 0.0002997200000000 ] - [ -0.0000257300000000, 0.0078114600000000, -0.0088352900000000 ] - [ -0.0000458500000000, 0.0000792300000000, -0.0000815100000000 ] - [ 0.0004233900000000, -0.0006025300000000, 0.0003570800000000 ] - [ 0.0004290200000000, -0.0006352400000000, 0.0003555100000000 ] - [ -0.0012196700000000, 0.0006744500000000, -0.0005254800000000 ] - [ 0.0002208300000000, 0.0005832300000000, -0.0010540600000000 ] - [ -0.0008204900000000, -0.0000518700000000, -0.0003992000000000 ] - [ 0.0000611000000000, 0.0001469000000000, -0.0010626600000000 ] - [ -0.0007276800000000, 0.0001652200000000, 0.0002913200000000 ] - [ -0.0006558500000000, 0.0001756600000000, 0.0000592500000000 ] - [ -0.0000651500000000, -0.0000059500000000, -0.0000165200000000 ] - [ -0.0001308000000000, 0.0001746400000000, 0.0000506100000000 ] - [ 0.0010041400000000, 0.0002238700000000, -0.0010684500000000 ] - [ 0.0006068700000000, 0.0002198200000000, -0.0000730300000000 ] - [ -0.0002588300000000, -0.0001181800000000, 0.0004616600000000 ] - [ -0.0003274200000000, -0.0001366200000000, 0.0006346700000000 ] - [ 0.0000189100000000, 0.0000207700000000, 0.0000540000000000 ] - [ 0.0000355300000000, 0.0000733000000000, 0.0000486200000000 ] - [ 0.0001107200000000, 0.0005124500000000, 0.0001596800000000 ] - [ 0.0001043300000000, 0.0005430200000000, 0.0001623400000000 ] - [ -0.0053263100000000, -0.0029045000000000, -0.0056743400000000 ] - [ 0.0004659100000000, 0.0001813500000000, -0.0003858400000000 ] - [ -0.0001284200000000, 0.0007561400000000, -0.0006171900000000 ] - [ -0.0000932500000000, 0.0000273100000000, -0.0006667800000000 ] - [ 0.0004777200000000, 0.0003550200000000, 0.0002988300000000 ] - [ 0.0001744000000000, -0.0002051000000000, 0.0001716400000000 ] - [ -0.0025642300000000, 0.0052095800000000, -0.0029607900000000 ] - [ 0.0000482200000000, 0.0005512200000000, 0.0001229200000000 ] - [ 0.0007100000000000, -0.0002961900000000, -0.0003099800000000 ] - [ 0.0006949200000000, -0.0002951200000000, -0.0002833500000000 ] - [ -0.0001047700000000, -0.0006474700000000, -0.0001054300000000 ] - [ 0.0002053400000000, -0.0001891200000000, -0.0001614800000000 ] - [ -0.0001074300000000, -0.0004567000000000, -0.0010213300000000 ] - [ -0.0005610600000000, -0.0006609200000000, 0.0001454500000000 ] - [ 0.0003197100000000, -0.0005123900000000, -0.0000690900000000 ] - [ 0.0003626500000000, -0.0005063600000000, -0.0002160600000000 ] - [ -0.0000117700000000, -0.0005783100000000, -0.0003805500000000 ] - [ 0.0000207500000000, -0.0006148200000000, -0.0004032000000000 ] - [ -0.0000348900000000, 0.0008154700000000, 0.0002515200000000 ] - [ 0.0000309700000000, 0.0006006400000000, 0.0002379100000000 ] - [ -0.0032863800000000, -0.0040892900000000, -0.0069079800000000 ] - [ -0.0001624200000000, 0.0002408300000000, -0.0003289000000000 ] - [ 0.0001016500000000, 0.0002378000000000, 0.0002752000000000 ] - [ 0.0000790600000000, 0.0001548200000000, 0.0002747200000000 ] - [ 0.0000140400000000, 0.0005158900000000, -0.0002025500000000 ] - [ -0.0000291600000000, 0.0005439500000000, -0.0001802800000000 ] - [ -0.0001181100000000, -0.0000759900000000, 0.0001463000000000 ] - [ -0.0002291200000000, -0.0002059400000000, 0.0001831300000000 ] - [ 0.0003815800000000, -0.0000754200000000, -0.0000154800000000 ] - [ 0.0003863300000000, -0.0000681700000000, -0.0000293200000000 ] - [ 0.0049557100000000, 0.0040756500000000, -0.0041023700000000 ] - [ -0.0004747700000000, -0.0000753000000000, 0.0003508400000000 ] - [ 0.0003250700000000, -0.0004989100000000, 0.0007613900000000 ] - [ 0.0000809100000000, 0.0000269600000000, 0.0007108800000000 ] - [ -0.0002573100000000, 0.0001060700000000, 0.0012263500000000 ] - [ 0.0002609600000000, -0.0000702900000000, -0.0001117900000000 ] - [ 0.0001199600000000, 0.0004318900000000, -0.0002333700000000 ] - [ -0.0000791300000000, 0.0006591500000000, -0.0000468600000000 ] - [ 0.0002922600000000, -0.0006296800000000, 0.0005033500000000 ] - [ 0.0002490200000000, 0.0001376400000000, 0.0004491300000000 ]- atom: 85 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0006353000000000, 0.0026181600000000, -0.0010928100000000 ] - [ -0.0010187200000000, -0.0007080400000000, -0.0001806300000000 ] - [ 0.0004409700000000, 0.0000429900000000, 0.0000057500000000 ] - [ -0.0003423000000000, 0.0008172200000000, -0.0002401400000000 ] - [ -0.0002799600000000, 0.0028920200000000, 0.0005415000000000 ] - [ -0.0009200300000000, -0.0002678300000000, -0.0005844100000000 ] - [ 0.0008755300000000, -0.0023526300000000, 0.0031137500000000 ] - [ -0.0033697700000000, 0.0006783000000000, -0.0004727100000000 ] - [ -0.0002767000000000, -0.0000170800000000, 0.0003887000000000 ] - [ -0.0008012200000000, 0.0002321200000000, 0.0002898900000000 ] - [ 0.0054212800000000, -0.0021807200000000, -0.0029375600000000 ] - [ -0.0011739700000000, 0.0000696700000000, -0.0008383300000000 ] - [ 0.0006370200000000, 0.0023785700000000, 0.0003717000000000 ] - [ -0.0007990900000000, 0.0002059600000000, -0.0001436500000000 ] - [ 0.0003215900000000, 0.0003248100000000, -0.0002931600000000 ] - [ 0.0000241900000000, 0.0005221300000000, -0.0004078100000000 ] - [ -0.0012956100000000, -0.0025825000000000, 0.0019575900000000 ] - [ -0.0027979300000000, 0.0028714600000000, -0.0007151200000000 ] - [ -0.0000160400000000, -0.0028480700000000, -0.0030771900000000 ] - [ -0.0016441500000000, 0.0013976400000000, -0.0003872800000000 ] - [ 0.0007409400000000, 0.0012685300000000, 0.0002542500000000 ] - [ -0.0003437100000000, -0.0001487800000000, 0.0001183600000000 ] - [ 0.0006401200000000, 0.0003474800000000, 0.0003462800000000 ] - [ -0.0002453200000000, 0.0008308600000000, 0.0001291000000000 ] - [ 0.0017113900000000, -0.0003621100000000, 0.0008097000000000 ] - [ -0.0016997700000000, -0.0003490200000000, -0.0006296700000000 ] - [ 0.0021469100000000, -0.0008660500000000, 0.0008109000000000 ] - [ -0.0005208200000000, -0.0001242800000000, -0.0001529300000000 ] - [ 0.0414713400000000, -0.0212929200000000, 0.0024075200000000 ] - [ -0.0024560900000000, -0.0010766600000000, -0.0002767400000000 ] - [ 0.0008308800000000, -0.0005103600000000, -0.0000142400000000 ] - [ 0.0000112500000000, -0.0006620300000000, -0.0002403300000000 ] - [ 0.0024067400000000, -0.0001143100000000, 0.0031023100000000 ] - [ -0.0006916300000000, -0.0010594500000000, -0.0001864800000000 ] - [ -0.0003993700000000, 0.0003941100000000, 0.0006384300000000 ] - [ -0.0012778000000000, -0.0001930400000000, 0.0004284100000000 ] - [ 0.0003034200000000, -0.0006530500000000, 0.0001602400000000 ] - [ -0.0011590500000000, 0.0000471600000000, -0.0004941600000000 ] - [ 0.0032828700000000, -0.0015383100000000, 0.0004676700000000 ] - [ -0.0007303500000000, -0.0001332800000000, -0.0002955100000000 ] - [ 0.0150691800000000, -0.0095375900000000, 0.0025126200000000 ] - [ -0.0006567300000000, -0.0003999900000000, -0.0007684500000000 ] - [ 0.0005624300000000, 0.0002335300000000, 0.0001997700000000 ] - [ -0.0002202600000000, 0.0000864100000000, 0.0000085800000000 ] - [ 0.0003216200000000, -0.0013353600000000, 0.0002568500000000 ] - [ -0.0010854800000000, 0.0001174600000000, 0.0000043800000000 ] - [ -0.0002737000000000, -0.0002990600000000, -0.0002331700000000 ] - [ -0.0010881400000000, -0.0007927200000000, -0.0004799800000000 ] - [ -0.0007676100000000, 0.0004094700000000, -0.0001886000000000 ] - [ -0.0001326900000000, -0.0003370400000000, 0.0000780200000000 ] - [ -0.0024171600000000, 0.0005889800000000, -0.0020118600000000 ] - [ 0.0008330700000000, -0.0000373200000000, 0.0005547700000000 ] - [ 0.0016801300000000, -0.0015171700000000, 0.0002226100000000 ] - [ 0.0016388800000000, 0.0015465600000000, 0.0005235500000000 ] - [ -0.0003450200000000, -0.0022307800000000, 0.0006739100000000 ] - [ 0.0005501100000000, -0.0002725500000000, 0.0004572200000000 ] - [ -0.0003056000000000, -0.0000425300000000, -0.0001388100000000 ] - [ -0.0000574700000000, -0.0004352500000000, -0.0001080000000000 ] - [ 0.0029372700000000, -0.0039192000000000, -0.0074053700000000 ] - [ 0.0011634800000000, -0.0000071500000000, -0.0003160200000000 ] - [ 0.0027637600000000, -0.0066328600000000, -0.0047002300000000 ] - [ 0.0007203800000000, 0.0000264900000000, 0.0002033900000000 ] - [ -0.0008238500000000, 0.0004609400000000, -0.0000862800000000 ] - [ 0.0002959900000000, 0.0000637800000000, 0.0002587600000000 ] - [ -0.0006288200000000, -0.0000359000000000, -0.0004794400000000 ] - [ 0.0005003600000000, -0.0005498700000000, 0.0004284300000000 ] - [ 0.0005435000000000, 0.0007611100000000, 0.0000863600000000 ] - [ 0.0007561400000000, -0.0005201600000000, 0.0003546900000000 ] - [ -0.0000608500000000, -0.0001183500000000, -0.0002037600000000 ] - [ 0.0003712300000000, -0.0000321700000000, -0.0000621000000000 ] - [ -0.0004025400000000, 0.0000465900000000, 0.0002223500000000 ] - [ -0.0003689300000000, 0.0001749600000000, 0.0002488700000000 ] - [ -0.0003815300000000, 0.0001048800000000, -0.0000324300000000 ] - [ 0.0004899700000000, 0.0001576500000000, 0.0002396300000000 ] - [ -0.0016937100000000, -0.0028610800000000, -0.0006694800000000 ] - [ 0.0005727600000000, 0.0004056400000000, -0.0002476300000000 ] - [ -0.0000924800000000, -0.0001448800000000, -0.0003424000000000 ] - [ 0.0007141700000000, -0.0001586900000000, -0.0001495700000000 ] - [ -0.0000752200000000, -0.0006207500000000, -0.0000634100000000 ] - [ 0.0002178900000000, -0.0002615500000000, 0.0000471000000000 ] - [ 0.0144052700000000, -0.0056770700000000, 0.0094137900000000 ] - [ 0.0007449700000000, 0.0000752300000000, -0.0001836500000000 ] - [ -0.0038884900000000, -0.0000286000000000, -0.0006187400000000 ] - [ 0.0000002200000000, -0.0001306900000000, 0.0004802000000000 ] - [ -0.0891911100000000, 0.0449731900000000, -0.0111724300000000 ] - [ 0.0010695400000000, 0.0000287900000000, 0.0000978300000000 ] - [ 0.0002925400000000, -0.0006212700000000, 0.0003084800000000 ] - [ 0.0005717300000000, -0.0007643100000000, 0.0004190500000000 ] - [ 0.0092578400000000, 0.0035260700000000, 0.0013361400000000 ] - [ 0.0015999400000000, 0.0002314000000000, -0.0001122200000000 ] - [ 0.0001082300000000, 0.0010319000000000, -0.0002083600000000 ] - [ 0.0003309000000000, -0.0004623700000000, -0.0003616300000000 ] - [ -0.0018935000000000, 0.0005036200000000, -0.0001487400000000 ] - [ -0.0001642500000000, 0.0000493900000000, 0.0002087400000000 ] - [ -0.0002045300000000, -0.0001297900000000, 0.0000316300000000 ] - [ 0.0000121100000000, 0.0002861500000000, 0.0000355000000000 ] - [ 0.0002929700000000, 0.0004417500000000, 0.0000152100000000 ] - [ 0.0009641700000000, -0.0000056100000000, 0.0000055900000000 ] - [ -0.0005818600000000, -0.0002618000000000, 0.0005766300000000 ] - [ -0.0000997800000000, -0.0001187900000000, 0.0006948000000000 ] - [ -0.0002075000000000, -0.0000309400000000, -0.0000003200000000 ] - [ 0.0002448600000000, 0.0000648300000000, 0.0001002700000000 ] - [ -0.0000176700000000, 0.0005371300000000, 0.0001366800000000 ] - [ 0.0002328200000000, 0.0004365100000000, 0.0001735100000000 ] - [ 0.0005819800000000, -0.0004379900000000, -0.0011384900000000 ] - [ 0.0013158100000000, 0.0003717100000000, 0.0004591100000000 ] - [ -0.0005420700000000, -0.0000364000000000, -0.0008219900000000 ] - [ 0.0002653800000000, -0.0000176900000000, -0.0005658900000000 ] - [ 0.0014655500000000, 0.0067834200000000, 0.0020833000000000 ] - [ 0.0009458400000000, -0.0005217600000000, 0.0000554000000000 ] - [ -0.0000592800000000, -0.0001874200000000, -0.0003647900000000 ] - [ 0.0004493900000000, 0.0008523600000000, 0.0003851300000000 ] - [ 0.0004984800000000, -0.0004396800000000, -0.0003193000000000 ] - [ 0.0008828600000000, -0.0002906400000000, -0.0002347200000000 ] - [ -0.0001487700000000, 0.0014090600000000, -0.0010614800000000 ] - [ 0.0008968400000000, -0.0005016800000000, 0.0002971600000000 ] - [ 0.0012127600000000, -0.0038303500000000, 0.0067248100000000 ] - [ 0.0003413100000000, -0.0003177000000000, 0.0002328800000000 ] - [ 0.0001696000000000, -0.0006786000000000, -0.0002727100000000 ] - [ 0.0005090100000000, -0.0004996900000000, -0.0001786800000000 ] - [ 0.0000533300000000, -0.0013026100000000, -0.0004060800000000 ] - [ 0.0001693400000000, -0.0002664500000000, -0.0003401600000000 ] - [ -0.0000147800000000, 0.0003387400000000, 0.0002311300000000 ] - [ 0.0001302800000000, 0.0007110800000000, 0.0003178900000000 ] - [ -0.0020133500000000, 0.0031792800000000, -0.0002356100000000 ] - [ 0.0006553500000000, 0.0001598500000000, 0.0000537500000000 ] - [ -0.0000847400000000, 0.0008203200000000, 0.0002957000000000 ] - [ 0.0005137800000000, -0.0001699500000000, 0.0003345700000000 ] - [ -0.0001263600000000, -0.0000321200000000, -0.0001984200000000 ] - [ 0.0001394700000000, 0.0008683800000000, -0.0001664400000000 ] - [ -0.0002715300000000, -0.0000504300000000, 0.0000789700000000 ] - [ -0.0000736300000000, -0.0004339600000000, 0.0001694400000000 ] - [ 0.0003531100000000, -0.0002229800000000, -0.0000050600000000 ] - [ 0.0004362600000000, -0.0000576700000000, -0.0000081000000000 ] - [ -0.0016852200000000, -0.0002150000000000, -0.0001728500000000 ] - [ 0.0003831500000000, -0.0001244800000000, 0.0004228100000000 ] - [ -0.0010426300000000, -0.0007286700000000, 0.0002063100000000 ] - [ 0.0007953900000000, 0.0002256300000000, 0.0008504400000000 ] - [ -0.0003100800000000, 0.0006334100000000, -0.0004784800000000 ] - [ 0.0006394100000000, -0.0004021600000000, 0.0000126700000000 ] - [ 0.0006454900000000, 0.0000773900000000, -0.0000023900000000 ] - [ 0.0005430800000000, 0.0011307400000000, 0.0001098100000000 ] - [ -0.0003124100000000, 0.0001719100000000, 0.0003020800000000 ] - [ 0.0006168900000000, 0.0000949500000000, 0.0005441800000000 ]- atom: 85 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0002216100000000, -0.0019800600000000, 0.0005790600000000 ] - [ 0.0006104700000000, 0.0013415700000000, -0.0003281500000000 ] - [ -0.0002276700000000, 0.0007036500000000, -0.0002689300000000 ] - [ 0.0005517000000000, -0.0000711300000000, -0.0000236800000000 ] - [ 0.0003381500000000, -0.0014393900000000, -0.0006862100000000 ] - [ 0.0009850600000000, 0.0017179300000000, 0.0004382900000000 ] - [ -0.0009099000000000, 0.0030195300000000, -0.0025639900000000 ] - [ 0.0029687000000000, -0.0000943600000000, 0.0011695800000000 ] - [ -0.0007720800000000, 0.0000186300000000, 0.0003127600000000 ] - [ -0.0002445000000000, -0.0002285100000000, 0.0004128000000000 ] - [ -0.0043264400000000, 0.0022136300000000, 0.0022943500000000 ] - [ 0.0022200200000000, -0.0000661400000000, 0.0001346500000000 ] - [ -0.0006927300000000, -0.0009263400000000, -0.0002288600000000 ] - [ 0.0007342700000000, 0.0012506300000000, 0.0002862600000000 ] - [ 0.0000874700000000, 0.0002620000000000, -0.0004006100000000 ] - [ 0.0003885200000000, 0.0000658100000000, -0.0002852200000000 ] - [ 0.0010757900000000, 0.0033472700000000, -0.0017077200000000 ] - [ 0.0025853700000000, -0.0021061800000000, 0.0009771300000000 ] - [ -0.0003855600000000, 0.0038822800000000, 0.0025617100000000 ] - [ 0.0012704800000000, -0.0003678100000000, -0.0001261200000000 ] - [ -0.0003267000000000, -0.0006331200000000, 0.0002608900000000 ] - [ 0.0007494900000000, 0.0007891800000000, 0.0003934000000000 ] - [ -0.0002610600000000, 0.0006745300000000, 0.0001703500000000 ] - [ 0.0006209600000000, 0.0001906600000000, 0.0003862700000000 ] - [ -0.0020243400000000, 0.0004442900000000, -0.0010043100000000 ] - [ 0.0013990900000000, 0.0004209100000000, 0.0004444000000000 ] - [ -0.0011632900000000, 0.0001565400000000, -0.0004668300000000 ] - [ 0.0014998500000000, -0.0005870400000000, 0.0004950300000000 ] - [ -0.0445319900000000, 0.0216486800000000, -0.0023597600000000 ] - [ 0.0016793300000000, -0.0003195900000000, 0.0005330700000000 ] - [ -0.0000553800000000, -0.0008857900000000, -0.0002462300000000 ] - [ 0.0007625500000000, -0.0007309300000000, -0.0000210000000000 ] - [ -0.0009912200000000, -0.0012581300000000, -0.0023621300000000 ] - [ 0.0020955700000000, -0.0003091400000000, 0.0009048800000000 ] - [ -0.0013247700000000, -0.0005511600000000, 0.0004140200000000 ] - [ -0.0004455400000000, 0.0000346700000000, 0.0006241300000000 ] - [ -0.0012836500000000, -0.0000609400000000, -0.0005002400000000 ] - [ 0.0001838400000000, -0.0007547200000000, 0.0001551800000000 ] - [ -0.0026829300000000, 0.0008649700000000, -0.0006062800000000 ] - [ 0.0013209700000000, -0.0005527600000000, 0.0001549000000000 ] - [ -0.0133249200000000, 0.0090830200000000, -0.0034955400000000 ] - [ 0.0023825800000000, 0.0002384700000000, -0.0002917800000000 ] - [ -0.0002605200000000, -0.0001568500000000, -0.0000079100000000 ] - [ 0.0005208900000000, -0.0000077200000000, 0.0001826500000000 ] - [ -0.0009252600000000, 0.0006327500000000, -0.0001078600000000 ] - [ 0.0004912300000000, -0.0008032400000000, 0.0001464100000000 ] - [ -0.0011329500000000, -0.0010723200000000, -0.0004944100000000 ] - [ -0.0003173800000000, -0.0005795500000000, -0.0002465700000000 ] - [ -0.0003525300000000, -0.0003421300000000, 0.0000245700000000 ] - [ -0.0009849000000000, 0.0004030200000000, -0.0002411800000000 ] - [ 0.0020723700000000, -0.0006276000000000, 0.0022684100000000 ] - [ -0.0011670800000000, 0.0000047400000000, -0.0002980200000000 ] - [ -0.0014513800000000, 0.0019017500000000, -0.0002444600000000 ] - [ -0.0013988400000000, -0.0011602700000000, -0.0005369400000000 ] - [ 0.0003028600000000, 0.0010109100000000, 0.0000740600000000 ] - [ -0.0005780900000000, -0.0009517600000000, 0.0002930500000000 ] - [ -0.0000832300000000, -0.0003902300000000, -0.0001082000000000 ] - [ -0.0003333800000000, -0.0000004900000000, -0.0001392400000000 ] - [ -0.0023097200000000, 0.0036945000000000, 0.0061702800000000 ] - [ -0.0005356000000000, -0.0002476200000000, -0.0009605400000000 ] - [ -0.0028877500000000, 0.0058673200000000, 0.0046619000000000 ] - [ -0.0008483200000000, -0.0007264300000000, -0.0002019200000000 ] - [ 0.0006156300000000, -0.0001659000000000, 0.0004248100000000 ] - [ -0.0005006700000000, 0.0002330600000000, 0.0000791000000000 ] - [ -0.0002222300000000, -0.0012337300000000, -0.0002389400000000 ] - [ -0.0013529700000000, -0.0007196900000000, -0.0011459900000000 ] - [ 0.0005784700000000, -0.0006965600000000, 0.0000784200000000 ] - [ 0.0003603800000000, 0.0005826300000000, -0.0001914600000000 ] - [ 0.0003976600000000, 0.0000872700000000, -0.0000533100000000 ] - [ -0.0000351100000000, 0.0000004900000000, -0.0001952900000000 ] - [ -0.0003806000000000, 0.0003041000000000, 0.0002482000000000 ] - [ -0.0004158100000000, 0.0001758100000000, 0.0002212400000000 ] - [ 0.0006458600000000, 0.0003158600000000, 0.0003008300000000 ] - [ -0.0002246000000000, 0.0002650200000000, 0.0000289400000000 ] - [ 0.0012293100000000, 0.0031382400000000, -0.0002328800000000 ] - [ -0.0010483900000000, -0.0001122200000000, -0.0006550300000000 ] - [ 0.0007890900000000, -0.0000665200000000, -0.0001324900000000 ] - [ -0.0000171100000000, -0.0000517800000000, -0.0003250800000000 ] - [ 0.0002043700000000, -0.0000763200000000, 0.0000612200000000 ] - [ -0.0000900100000000, -0.0004346400000000, -0.0000492800000000 ] - [ -0.0148975400000000, 0.0054114200000000, -0.0091785100000000 ] - [ -0.0015167600000000, -0.0002178400000000, 0.0002096900000000 ] - [ 0.0024894400000000, -0.0005285300000000, 0.0011092900000000 ] - [ -0.0013992200000000, -0.0004649700000000, 0.0000838800000000 ] - [ 0.0907502800000000, -0.0463705000000000, 0.0111965400000000 ] - [ -0.0011353800000000, 0.0001242800000000, -0.0002045300000000 ] - [ 0.0005631300000000, -0.0006460500000000, 0.0004124900000000 ] - [ 0.0002847500000000, -0.0005036000000000, 0.0003022500000000 ] - [ -0.0096219000000000, -0.0024760200000000, -0.0016768300000000 ] - [ -0.0018052300000000, 0.0008529400000000, -0.0002018200000000 ] - [ -0.0002621100000000, -0.0007254200000000, -0.0003136900000000 ] - [ -0.0004949500000000, 0.0007676700000000, -0.0001630600000000 ] - [ 0.0005635200000000, -0.0001578700000000, 0.0002593800000000 ] - [ -0.0011638000000000, 0.0003001500000000, -0.0000946400000000 ] - [ -0.0000288100000000, 0.0005052100000000, -0.0000114200000000 ] - [ -0.0002426500000000, 0.0000881700000000, -0.0000146300000000 ] - [ 0.0010382000000000, -0.0000890300000000, -0.0001262800000000 ] - [ 0.0003654400000000, 0.0003529900000000, -0.0001195700000000 ] - [ -0.0000436600000000, 0.0000070700000000, 0.0007018300000000 ] - [ -0.0005250600000000, -0.0001369800000000, 0.0005835700000000 ] - [ 0.0002762500000000, 0.0001845300000000, 0.0001080900000000 ] - [ -0.0001767700000000, 0.0000880100000000, 0.0000073700000000 ] - [ 0.0002296100000000, 0.0005538600000000, 0.0001778300000000 ] - [ -0.0000195400000000, 0.0006542300000000, 0.0001413400000000 ] - [ 0.0001976200000000, 0.0007797900000000, 0.0006526600000000 ] - [ -0.0005271300000000, -0.0000238300000000, -0.0009327900000000 ] - [ 0.0003405500000000, 0.0001041200000000, -0.0005288100000000 ] - [ -0.0004654600000000, 0.0000827700000000, -0.0007842000000000 ] - [ -0.0010793600000000, -0.0071576300000000, -0.0018144900000000 ] - [ -0.0005540400000000, 0.0000880100000000, 0.0001932800000000 ] - [ 0.0000919600000000, 0.0012864700000000, 0.0007809600000000 ] - [ -0.0004106500000000, 0.0002437600000000, 0.0000363900000000 ] - [ 0.0009031300000000, -0.0001546400000000, -0.0002438000000000 ] - [ 0.0005182700000000, -0.0003027600000000, -0.0003287800000000 ] - [ 0.0005407200000000, -0.0018021200000000, 0.0008165800000000 ] - [ -0.0004998600000000, 0.0001018500000000, -0.0005270900000000 ] - [ -0.0019103000000000, 0.0028132800000000, -0.0063237500000000 ] - [ -0.0010458900000000, -0.0007195200000000, 0.0002031800000000 ] - [ 0.0005378900000000, -0.0003580700000000, -0.0001655500000000 ] - [ 0.0001992700000000, -0.0005381300000000, -0.0002592600000000 ] - [ -0.0000196800000000, 0.0000794800000000, -0.0003435600000000 ] - [ -0.0001382200000000, -0.0009539500000000, -0.0004098600000000 ] - [ 0.0000546000000000, 0.0008854800000000, 0.0003270200000000 ] - [ -0.0000875200000000, 0.0005123900000000, 0.0002410700000000 ] - [ 0.0017792200000000, -0.0027190200000000, -0.0000269300000000 ] - [ -0.0009164200000000, 0.0002596800000000, -0.0003230500000000 ] - [ 0.0002443800000000, -0.0005110000000000, 0.0002272900000000 ] - [ -0.0003511400000000, 0.0004787500000000, 0.0001889600000000 ] - [ 0.0000912700000000, 0.0011300100000000, -0.0002221400000000 ] - [ -0.0001756200000000, 0.0002311900000000, -0.0002545000000000 ] - [ -0.0001218700000000, -0.0003495800000000, 0.0001502400000000 ] - [ -0.0003228600000000, 0.0000322200000000, 0.0000586600000000 ] - [ 0.0004204200000000, 0.0000826200000000, -0.0000166300000000 ] - [ 0.0003356600000000, -0.0000829000000000, -0.0000138600000000 ] - [ 0.0009922600000000, 0.0000076100000000, 0.0006463200000000 ] - [ -0.0010788100000000, -0.0000884800000000, 0.0000513200000000 ] - [ 0.0012454400000000, 0.0007935500000000, 0.0011461700000000 ] - [ -0.0005927700000000, -0.0001587000000000, 0.0005002500000000 ] - [ 0.0005217000000000, -0.0003356100000000, 0.0001388300000000 ] - [ -0.0004319900000000, 0.0006943700000000, -0.0003499600000000 ] - [ -0.0006842300000000, 0.0011460900000000, -0.0005559400000000 ] - [ -0.0005886200000000, 0.0000927700000000, -0.0006689000000000 ] - [ 0.0007882900000000, 0.0001221600000000, 0.0006001700000000 ] - [ -0.0001383400000000, 0.0001943200000000, 0.0003593300000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014485100000000, -0.0009982100000000, 0.0012104300000000 ] - [ -0.0008024200000000, 0.0003789500000000, -0.0003833400000000 ] - [ -0.0004180500000000, -0.0010559300000000, -0.0000799400000000 ] - [ 0.0004383400000000, -0.0004727000000000, -0.0000498800000000 ] - [ 0.0016735500000000, -0.0007245900000000, -0.0006910200000000 ] - [ -0.0009119300000000, 0.0005300800000000, -0.0003694300000000 ] - [ -0.0014102200000000, 0.0078970500000000, 0.0008673500000000 ] - [ 0.0003944900000000, 0.0018342500000000, 0.0004569000000000 ] - [ -0.0007058700000000, -0.0013585400000000, 0.0002466900000000 ] - [ -0.0003473000000000, -0.0008553800000000, 0.0003983600000000 ] - [ -0.0012724300000000, 0.0055726700000000, -0.0040357600000000 ] - [ 0.0010319500000000, 0.0010551700000000, -0.0001763300000000 ] - [ 0.0008081300000000, -0.0014330700000000, -0.0002617200000000 ] - [ -0.0004629200000000, 0.0003831600000000, -0.0000242800000000 ] - [ 0.0001161700000000, -0.0009062400000000, -0.0003132800000000 ] - [ 0.0003802700000000, -0.0006889400000000, -0.0002906400000000 ] - [ -0.0023864100000000, 0.0016010300000000, 0.0007094900000000 ] - [ 0.0017173800000000, 0.0006547300000000, 0.0006658900000000 ] - [ -0.0030565200000000, 0.0020473000000000, -0.0031615700000000 ] - [ 0.0006178500000000, 0.0012827400000000, -0.0001053600000000 ] - [ 0.0007087100000000, -0.0011883200000000, 0.0007837200000000 ] - [ -0.0001287700000000, -0.0000982400000000, 0.0001501200000000 ] - [ -0.0001596500000000, -0.0008366200000000, -0.0000246700000000 ] - [ 0.0003922700000000, -0.0002351100000000, 0.0003247300000000 ] - [ -0.0001311700000000, 0.0023051700000000, 0.0000372400000000 ] - [ -0.0002199000000000, 0.0010445800000000, -0.0000984500000000 ] - [ -0.0000981800000000, -0.0010214100000000, 0.0001163300000000 ] - [ 0.0007717200000000, -0.0004282900000000, 0.0002760600000000 ] - [ -0.0227308600000000, 0.0226221100000000, -0.0013966400000000 ] - [ -0.0005172000000000, 0.0002367800000000, 0.0001034300000000 ] - [ 0.0004352700000000, -0.0020751400000000, -0.0001059200000000 ] - [ 0.0003858200000000, -0.0012721500000000, -0.0001177300000000 ] - [ 0.0010117900000000, 0.0010854200000000, -0.0000705000000000 ] - [ 0.0007328400000000, -0.0000654300000000, 0.0003530600000000 ] - [ -0.0007046800000000, -0.0014913500000000, 0.0005718100000000 ] - [ -0.0009348700000000, -0.0006412100000000, 0.0005244200000000 ] - [ -0.0010628900000000, -0.0012735500000000, -0.0003706400000000 ] - [ -0.0001519200000000, -0.0006165900000000, -0.0000024900000000 ] - [ -0.0008689800000000, -0.0042227000000000, -0.0008206400000000 ] - [ 0.0005553700000000, -0.0003706300000000, -0.0000261500000000 ] - [ -0.0072428900000000, 0.0313548600000000, -0.0071550100000000 ] - [ 0.0008832200000000, 0.0005246100000000, -0.0005130000000000 ] - [ 0.0001463200000000, -0.0011496400000000, 0.0000742600000000 ] - [ 0.0001381100000000, -0.0005564500000000, 0.0000844300000000 ] - [ -0.0017879900000000, -0.0032821800000000, 0.0000772100000000 ] - [ 0.0001338400000000, -0.0006571700000000, 0.0001230200000000 ] - [ -0.0006084300000000, -0.0018128400000000, -0.0003494000000000 ] - [ -0.0007570900000000, -0.0012621400000000, -0.0003996600000000 ] - [ -0.0002394400000000, 0.0003950200000000, -0.0000218400000000 ] - [ -0.0009541400000000, 0.0003878400000000, -0.0002281600000000 ] - [ 0.0004623000000000, -0.0025159500000000, 0.0001389900000000 ] - [ -0.0002452300000000, -0.0004179700000000, 0.0000921400000000 ] - [ -0.0016526100000000, 0.0000588900000000, -0.0003168600000000 ] - [ 0.0007784900000000, -0.0001732500000000, -0.0000962900000000 ] - [ -0.0015793400000000, 0.0009829100000000, -0.0003313600000000 ] - [ 0.0002539900000000, -0.0006956100000000, 0.0004137400000000 ] - [ 0.0000876500000000, 0.0005471400000000, -0.0001112200000000 ] - [ -0.0003018400000000, 0.0001665100000000, -0.0001550000000000 ] - [ -0.0036408500000000, -0.0001778900000000, 0.0040970500000000 ] - [ 0.0003475500000000, -0.0005187400000000, -0.0006144700000000 ] - [ -0.0067806900000000, 0.0028871300000000, 0.0051090800000000 ] - [ -0.0000360500000000, -0.0007601000000000, 0.0000129400000000 ] - [ 0.0004992600000000, 0.0011477100000000, -0.0003159200000000 ] - [ -0.0002112000000000, 0.0002270600000000, 0.0001535200000000 ] - [ -0.0004694400000000, -0.0022987500000000, -0.0004121800000000 ] - [ -0.0007522800000000, -0.0012867100000000, -0.0007182500000000 ] - [ 0.0010082300000000, 0.0001248100000000, 0.0002901800000000 ] - [ 0.0001186100000000, 0.0000892100000000, -0.0001989400000000 ] - [ 0.0002562700000000, 0.0005752100000000, -0.0000858200000000 ] - [ 0.0001639500000000, 0.0002994800000000, -0.0001286100000000 ] - [ -0.0003762900000000, 0.0006972900000000, 0.0002690100000000 ] - [ -0.0002669300000000, 0.0006221600000000, 0.0002889500000000 ] - [ 0.0001852600000000, 0.0012501600000000, 0.0002774300000000 ] - [ 0.0000498500000000, 0.0004161700000000, 0.0001213400000000 ] - [ -0.0023113100000000, 0.0056384800000000, -0.0006496200000000 ] - [ -0.0001535500000000, 0.0000287900000000, -0.0004436600000000 ] - [ 0.0003322700000000, 0.0005446600000000, -0.0002479100000000 ] - [ 0.0002837000000000, 0.0000946000000000, -0.0002650500000000 ] - [ -0.0000459400000000, 0.0003250300000000, 0.0000312700000000 ] - [ 0.0000975800000000, 0.0000238500000000, 0.0000126900000000 ] - [ -0.0065187500000000, -0.0028764500000000, -0.0030997700000000 ] - [ -0.0001529900000000, -0.0007294500000000, -0.0000087300000000 ] - [ -0.0004395800000000, 0.0007867100000000, -0.0075664000000000 ] - [ -0.0007857100000000, -0.0006325200000000, 0.0002569800000000 ] - [ 0.0455695600000000, -0.0817281400000000, 0.0153323700000000 ] - [ -0.0000813200000000, -0.0003153200000000, -0.0000520400000000 ] - [ 0.0003851100000000, 0.0000434000000000, 0.0003166700000000 ] - [ 0.0003595800000000, -0.0002222600000000, 0.0003086800000000 ] - [ 0.0017570400000000, -0.0021805800000000, 0.0001112400000000 ] - [ -0.0002974900000000, -0.0004076400000000, 0.0000837400000000 ] - [ 0.0011315400000000, 0.0004068100000000, -0.0000478800000000 ] - [ -0.0007814500000000, 0.0002943200000000, -0.0003015000000000 ] - [ -0.0005185100000000, 0.0007855300000000, 0.0010777000000000 ] - [ -0.0007566400000000, 0.0001386500000000, 0.0000159300000000 ] - [ -0.0003748300000000, 0.0009204900000000, -0.0001227500000000 ] - [ -0.0000486000000000, 0.0005102700000000, -0.0000037800000000 ] - [ 0.0009224300000000, 0.0011413800000000, 0.0005070100000000 ] - [ 0.0005409200000000, 0.0003487300000000, -0.0000841500000000 ] - [ -0.0002690500000000, 0.0004943800000000, 0.0006978600000000 ] - [ -0.0003022300000000, 0.0001374400000000, 0.0006407800000000 ] - [ 0.0001409100000000, 0.0007556400000000, 0.0000699300000000 ] - [ 0.0000450900000000, 0.0003902400000000, 0.0000577500000000 ] - [ 0.0001074900000000, 0.0012535000000000, 0.0001908800000000 ] - [ 0.0000718300000000, 0.0009660500000000, 0.0001802700000000 ] - [ 0.0000184400000000, -0.0015698300000000, -0.0002792300000000 ] - [ 0.0006222400000000, -0.0006261200000000, -0.0001081600000000 ] - [ -0.0001485600000000, 0.0006525500000000, -0.0006620300000000 ] - [ -0.0001379800000000, 0.0002276900000000, -0.0006879200000000 ] - [ 0.0073051800000000, 0.0055570700000000, 0.0026911500000000 ] - [ -0.0000816900000000, -0.0005074200000000, 0.0000830400000000 ] - [ -0.0006178000000000, 0.0011769200000000, 0.0003594800000000 ] - [ 0.0002411900000000, 0.0004581100000000, 0.0003078800000000 ] - [ 0.0006412900000000, 0.0003295600000000, -0.0003549800000000 ] - [ 0.0006889500000000, -0.0000090400000000, -0.0002877100000000 ] - [ 0.0006159800000000, -0.0004906800000000, 0.0000621000000000 ] - [ -0.0002889700000000, -0.0004742600000000, -0.0002734200000000 ] - [ -0.0034246500000000, -0.0013472100000000, -0.0045755300000000 ] - [ -0.0002641000000000, -0.0010372200000000, 0.0002217400000000 ] - [ 0.0003813000000000, 0.0001645900000000, -0.0002508800000000 ] - [ 0.0003804300000000, -0.0001869200000000, -0.0002095700000000 ] - [ -0.0004806500000000, 0.0002931900000000, -0.0004689700000000 ] - [ 0.0002227200000000, -0.0003639900000000, -0.0003579700000000 ] - [ -0.0002132400000000, 0.0012291600000000, 0.0002827700000000 ] - [ 0.0001141500000000, 0.0009128400000000, 0.0003265100000000 ] - [ 0.0036589200000000, 0.0089046400000000, 0.0009583100000000 ] - [ -0.0003590100000000, 0.0000371300000000, -0.0001757100000000 ] - [ 0.0005959300000000, 0.0010796200000000, 0.0004613700000000 ] - [ -0.0003529900000000, 0.0004595900000000, 0.0001813800000000 ] - [ -0.0001493400000000, 0.0011941400000000, -0.0002654000000000 ] - [ 0.0001521400000000, 0.0007947400000000, -0.0001239500000000 ] - [ 0.0000198800000000, 0.0003338900000000, 0.0002184500000000 ] - [ -0.0004131000000000, 0.0001904900000000, 0.0000558300000000 ] - [ 0.0004212200000000, 0.0005264900000000, -0.0000432200000000 ] - [ 0.0005386300000000, 0.0004001500000000, -0.0000014600000000 ] - [ 0.0002501400000000, 0.0001684100000000, 0.0007753500000000 ] - [ -0.0005290500000000, -0.0002486600000000, 0.0001764800000000 ] - [ 0.0001128100000000, 0.0003082700000000, 0.0005352200000000 ] - [ 0.0001578100000000, -0.0001076700000000, 0.0007042600000000 ] - [ 0.0007621500000000, 0.0006794400000000, -0.0005973200000000 ] - [ -0.0001440000000000, 0.0003414900000000, -0.0002485400000000 ] - [ -0.0007855400000000, 0.0004008700000000, -0.0005517300000000 ] - [ 0.0005692100000000, 0.0002247900000000, 0.0000947500000000 ] - [ 0.0000660400000000, 0.0012644700000000, 0.0002928500000000 ] - [ 0.0001993500000000, 0.0003325200000000, 0.0004453200000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018513000000000, 0.0016454100000000, -0.0017138600000000 ] - [ 0.0003951300000000, 0.0002641100000000, -0.0001296100000000 ] - [ 0.0006264100000000, 0.0018038300000000, -0.0001827500000000 ] - [ -0.0002255200000000, 0.0012227800000000, -0.0002130400000000 ] - [ -0.0016044500000000, 0.0021854400000000, 0.0005420300000000 ] - [ 0.0009707100000000, 0.0009278000000000, 0.0002262500000000 ] - [ 0.0010340600000000, -0.0072946100000000, -0.0001860200000000 ] - [ -0.0008108100000000, -0.0012420300000000, 0.0002350400000000 ] - [ -0.0003405600000000, 0.0013648900000000, 0.0004568100000000 ] - [ -0.0007017000000000, 0.0008597500000000, 0.0003037800000000 ] - [ 0.0023366900000000, -0.0055305500000000, 0.0033702700000000 ] - [ 0.0000147100000000, -0.0010488400000000, -0.0005258100000000 ] - [ -0.0008772800000000, 0.0028918100000000, 0.0004075700000000 ] - [ 0.0004028000000000, 0.0010692900000000, 0.0001676600000000 ] - [ 0.0002955400000000, 0.0014947400000000, -0.0003804800000000 ] - [ 0.0000285100000000, 0.0012770000000000, -0.0004031100000000 ] - [ 0.0021808100000000, -0.0008706400000000, -0.0004438600000000 ] - [ -0.0019259400000000, 0.0000799900000000, -0.0004033100000000 ] - [ 0.0026896300000000, -0.0010476700000000, 0.0026511800000000 ] - [ -0.0009951900000000, -0.0002648600000000, -0.0004101100000000 ] - [ -0.0003039000000000, 0.0018275900000000, -0.0002749300000000 ] - [ 0.0005382700000000, 0.0007346200000000, 0.0003634100000000 ] - [ 0.0005352600000000, 0.0018601300000000, 0.0005392800000000 ] - [ -0.0000145300000000, 0.0012598700000000, 0.0001920700000000 ] - [ -0.0001763200000000, -0.0022230000000000, -0.0002277900000000 ] - [ -0.0000817300000000, -0.0009674500000000, -0.0000871000000000 ] - [ 0.0010752400000000, 0.0003164800000000, 0.0002283600000000 ] - [ 0.0002082500000000, -0.0002790300000000, 0.0000687500000000 ] - [ 0.0209857200000000, -0.0236813500000000, 0.0015833000000000 ] - [ -0.0002521300000000, -0.0016279700000000, 0.0001550700000000 ] - [ 0.0003363800000000, 0.0006828700000000, -0.0001549600000000 ] - [ 0.0003888800000000, -0.0001209900000000, -0.0001430600000000 ] - [ 0.0003933300000000, -0.0024693100000000, 0.0007995200000000 ] - [ 0.0006721600000000, -0.0013098400000000, 0.0003651300000000 ] - [ -0.0010153400000000, 0.0013312700000000, 0.0004822200000000 ] - [ -0.0007879900000000, 0.0004851300000000, 0.0005277800000000 ] - [ 0.0000895800000000, 0.0005599600000000, 0.0000310500000000 ] - [ -0.0008262700000000, -0.0000963700000000, -0.0003354100000000 ] - [ 0.0014538300000000, 0.0035259300000000, 0.0006760300000000 ] - [ 0.0000376100000000, -0.0003094500000000, -0.0001143100000000 ] - [ 0.0099401200000000, -0.0337211400000000, 0.0068459200000000 ] - [ 0.0008424700000000, -0.0006922300000000, -0.0005457100000000 ] - [ 0.0001544200000000, 0.0012285900000000, 0.0001165700000000 ] - [ 0.0001629300000000, 0.0006345500000000, 0.0001078400000000 ] - [ 0.0011997500000000, 0.0026118200000000, 0.0000698700000000 ] - [ -0.0007316500000000, -0.0000329200000000, 0.0000272100000000 ] - [ -0.0007974700000000, 0.0004425700000000, -0.0003772800000000 ] - [ -0.0006494200000000, -0.0001085700000000, -0.0003271800000000 ] - [ -0.0008784400000000, -0.0003313900000000, -0.0001409000000000 ] - [ -0.0001654600000000, -0.0003235900000000, 0.0000648200000000 ] - [ -0.0008025600000000, 0.0024861200000000, 0.0001284300000000 ] - [ -0.0000904300000000, 0.0003856400000000, 0.0001653600000000 ] - [ 0.0018816900000000, 0.0003076900000000, 0.0002951200000000 ] - [ -0.0005491600000000, 0.0005406100000000, 0.0000712600000000 ] - [ 0.0015623900000000, -0.0022104700000000, 0.0010867200000000 ] - [ -0.0002842800000000, -0.0005247900000000, 0.0003360500000000 ] - [ -0.0004803000000000, -0.0009839300000000, -0.0001359000000000 ] - [ -0.0000885600000000, -0.0006009600000000, -0.0000920700000000 ] - [ 0.0042571600000000, -0.0001077500000000, -0.0053687900000000 ] - [ 0.0002778700000000, 0.0002619600000000, -0.0006637800000000 ] - [ 0.0067323500000000, -0.0036137500000000, -0.0051616500000000 ] - [ -0.0000911500000000, 0.0000647900000000, -0.0000104700000000 ] - [ -0.0007025700000000, -0.0008506200000000, 0.0006498300000000 ] - [ 0.0000046500000000, 0.0000673900000000, 0.0001844400000000 ] - [ -0.0003837100000000, 0.0010342700000000, -0.0003088000000000 ] - [ -0.0001049400000000, 0.0000186800000000, -0.0000052700000000 ] - [ 0.0001094800000000, -0.0000564500000000, -0.0001277100000000 ] - [ 0.0010021500000000, -0.0000209700000000, 0.0003628000000000 ] - [ 0.0000795400000000, -0.0006078600000000, -0.0001711300000000 ] - [ 0.0001720900000000, -0.0003317500000000, -0.0001281600000000 ] - [ -0.0004089100000000, -0.0003480400000000, 0.0002011600000000 ] - [ -0.0005169300000000, -0.0002723700000000, 0.0001818800000000 ] - [ 0.0000803400000000, -0.0008259100000000, -0.0000074500000000 ] - [ 0.0002148200000000, 0.0000045700000000, 0.0001470900000000 ] - [ 0.0017966600000000, -0.0052734700000000, -0.0002569600000000 ] - [ -0.0003247400000000, 0.0002612100000000, -0.0004593100000000 ] - [ 0.0003640500000000, -0.0007567700000000, -0.0002261600000000 ] - [ 0.0004126100000000, -0.0003069800000000, -0.0002091200000000 ] - [ 0.0001739200000000, -0.0010227800000000, -0.0000325400000000 ] - [ 0.0000308900000000, -0.0007217800000000, -0.0000143600000000 ] - [ 0.0056967800000000, 0.0027881100000000, 0.0031021900000000 ] - [ -0.0006159200000000, 0.0005897800000000, 0.0000301800000000 ] - [ -0.0009604200000000, -0.0013680600000000, 0.0081791500000000 ] - [ -0.0006148900000000, 0.0000387200000000, 0.0003066900000000 ] - [ -0.0457949100000000, 0.0837485900000000, -0.0162096300000000 ] - [ 0.0000137600000000, 0.0004689600000000, -0.0000550800000000 ] - [ 0.0004711400000000, -0.0013124000000000, 0.0004049200000000 ] - [ 0.0004960800000000, -0.0010467400000000, 0.0004126200000000 ] - [ -0.0019303900000000, 0.0032929000000000, -0.0004204100000000 ] - [ 0.0000815100000000, 0.0014999300000000, -0.0003979100000000 ] - [ -0.0013021500000000, -0.0000964100000000, -0.0004761900000000 ] - [ 0.0006224400000000, 0.0000160200000000, -0.0002205200000000 ] - [ -0.0008109900000000, -0.0004391800000000, -0.0009571600000000 ] - [ -0.0005725400000000, 0.0002087800000000, 0.0000979400000000 ] - [ 0.0001444100000000, -0.0005470800000000, 0.0001442800000000 ] - [ -0.0001844300000000, -0.0001354400000000, 0.0000245900000000 ] - [ 0.0004062300000000, -0.0007964200000000, -0.0006258300000000 ] - [ 0.0007887100000000, 0.0000011300000000, -0.0000293800000000 ] - [ -0.0003561100000000, -0.0007511700000000, 0.0005801600000000 ] - [ -0.0003235200000000, -0.0003930500000000, 0.0006377000000000 ] - [ -0.0000733300000000, -0.0006035800000000, 0.0000379300000000 ] - [ 0.0000227500000000, -0.0002380700000000, 0.0000500000000000 ] - [ 0.0001055000000000, -0.0001637200000000, 0.0001243000000000 ] - [ 0.0001399700000000, 0.0001237300000000, 0.0001347500000000 ] - [ 0.0007669800000000, 0.0019255800000000, -0.0001921200000000 ] - [ 0.0001639800000000, 0.0009777300000000, -0.0003607800000000 ] - [ -0.0000519600000000, -0.0005869900000000, -0.0006883900000000 ] - [ -0.0000635500000000, -0.0001611600000000, -0.0006624800000000 ] - [ -0.0067924700000000, -0.0059044400000000, -0.0023998100000000 ] - [ 0.0004736400000000, 0.0000704400000000, 0.0001643000000000 ] - [ 0.0006560900000000, -0.0000783000000000, 0.0000600100000000 ] - [ -0.0002055300000000, 0.0006415300000000, 0.0001134500000000 ] - [ 0.0007596900000000, -0.0009244800000000, -0.0002086900000000 ] - [ 0.0007120800000000, -0.0005859200000000, -0.0002754200000000 ] - [ -0.0002204900000000, 0.0000809900000000, -0.0002904400000000 ] - [ 0.0006842700000000, 0.0000709400000000, 0.0000450500000000 ] - [ 0.0027167900000000, 0.0002711900000000, 0.0050199700000000 ] - [ -0.0004434300000000, -0.0000019700000000, 0.0002166200000000 ] - [ 0.0003262900000000, -0.0012030900000000, -0.0001863100000000 ] - [ 0.0003265600000000, -0.0008508800000000, -0.0002283700000000 ] - [ 0.0005081700000000, -0.0015146600000000, -0.0002818200000000 ] - [ -0.0001908000000000, -0.0008600900000000, -0.0003920400000000 ] - [ 0.0002552500000000, -0.0000062900000000, 0.0002761400000000 ] - [ -0.0000741300000000, 0.0003109500000000, 0.0002320300000000 ] - [ -0.0039775500000000, -0.0086309800000000, -0.0012398300000000 ] - [ 0.0000968800000000, 0.0003862200000000, -0.0000928300000000 ] - [ -0.0004323300000000, -0.0007692900000000, 0.0000631000000000 ] - [ 0.0005134700000000, -0.0001526600000000, 0.0003420200000000 ] - [ 0.0001125400000000, -0.0000976800000000, -0.0001551200000000 ] - [ -0.0001879900000000, 0.0003017300000000, -0.0002959900000000 ] - [ -0.0004164400000000, -0.0007352100000000, 0.0000098800000000 ] - [ 0.0000184200000000, -0.0005912500000000, 0.0001732000000000 ] - [ 0.0003501500000000, -0.0006679700000000, 0.0000216000000000 ] - [ 0.0002342100000000, -0.0005415900000000, -0.0000199200000000 ] - [ -0.0009469700000000, -0.0003764100000000, -0.0003044500000000 ] - [ -0.0001673300000000, 0.0000390300000000, 0.0002977200000000 ] - [ 0.0000880300000000, -0.0002480500000000, 0.0008138500000000 ] - [ 0.0000437700000000, 0.0001721700000000, 0.0006470000000000 ] - [ -0.0005601000000000, -0.0003836300000000, 0.0002644600000000 ] - [ 0.0003499900000000, -0.0000433600000000, -0.0000890000000000 ] - [ 0.0007455000000000, 0.0008185300000000, -0.0000054500000000 ] - [ -0.0006121400000000, 0.0009952000000000, -0.0006516500000000 ] - [ 0.0004130300000000, -0.0009794400000000, 0.0006121800000000 ] - [ 0.0002775200000000, -0.0000416500000000, 0.0004583500000000 ]- atom: 85 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0006861800000000, 0.0014179000000000, -0.0002611800000000 ] - [ -0.0000784100000000, 0.0004643400000000, -0.0006301200000000 ] - [ 0.0000905500000000, 0.0004350000000000, -0.0001203400000000 ] - [ 0.0001289000000000, 0.0003689100000000, -0.0000743200000000 ] - [ 0.0006798200000000, -0.0004042400000000, -0.0000503400000000 ] - [ -0.0000766100000000, 0.0008069100000000, 0.0002345000000000 ] - [ 0.0021459600000000, 0.0019093900000000, 0.0029539400000000 ] - [ -0.0000500600000000, 0.0002114800000000, 0.0007236100000000 ] - [ -0.0005371400000000, -0.0000231400000000, 0.0003556800000000 ] - [ -0.0005100600000000, -0.0000125300000000, 0.0003343400000000 ] - [ -0.0030459800000000, -0.0031088200000000, -0.0052521600000000 ] - [ 0.0005718900000000, 0.0000098900000000, -0.0005544500000000 ] - [ 0.0000299500000000, -0.0000910500000000, 0.0001735700000000 ] - [ -0.0000076100000000, 0.0007404400000000, 0.0001267400000000 ] - [ 0.0002230500000000, 0.0002946400000000, -0.0003476300000000 ] - [ 0.0001993500000000, 0.0002848700000000, -0.0003270000000000 ] - [ 0.0012269200000000, 0.0013259100000000, -0.0000954800000000 ] - [ -0.0004771000000000, 0.0005751500000000, 0.0006671600000000 ] - [ -0.0021290900000000, -0.0010480200000000, -0.0008607500000000 ] - [ 0.0001175600000000, 0.0003830500000000, -0.0006941600000000 ] - [ 0.0000546800000000, 0.0006466300000000, 0.0001455000000000 ] - [ 0.0002258200000000, 0.0003125400000000, 0.0002114200000000 ] - [ 0.0001126500000000, 0.0004015500000000, 0.0002197900000000 ] - [ 0.0002264200000000, 0.0005163100000000, 0.0002244100000000 ] - [ 0.0007835700000000, 0.0007905400000000, -0.0052354300000000 ] - [ -0.0003551900000000, 0.0000525300000000, -0.0002318900000000 ] - [ 0.0005933900000000, -0.0002143500000000, -0.0004924200000000 ] - [ 0.0004557200000000, -0.0003305900000000, 0.0001676200000000 ] - [ -0.0092065600000000, 0.0033573500000000, 0.0074700600000000 ] - [ 0.0000984100000000, -0.0006619200000000, 0.0002627300000000 ] - [ 0.0003492000000000, -0.0007033700000000, -0.0001043400000000 ] - [ 0.0004094200000000, -0.0006968700000000, -0.0001245000000000 ] - [ 0.0017810600000000, -0.0014791700000000, -0.0047855100000000 ] - [ 0.0006235000000000, -0.0007119300000000, 0.0003747000000000 ] - [ -0.0008604200000000, -0.0001157400000000, 0.0005750700000000 ] - [ -0.0008423200000000, -0.0000530900000000, 0.0005347400000000 ] - [ -0.0004512800000000, -0.0004346200000000, -0.0004544000000000 ] - [ -0.0005106800000000, -0.0003432600000000, -0.0001935800000000 ] - [ -0.0000051100000000, -0.0004758300000000, 0.0006172400000000 ] - [ 0.0004178600000000, -0.0003273300000000, -0.0000408000000000 ] - [ 0.0001981300000000, -0.0051487100000000, 0.0096090400000000 ] - [ 0.0010320700000000, -0.0000828500000000, -0.0004908000000000 ] - [ 0.0001324700000000, 0.0000145500000000, 0.0000588900000000 ] - [ 0.0001608500000000, 0.0000369600000000, 0.0000986700000000 ] - [ -0.0003472400000000, -0.0002860900000000, 0.0003020600000000 ] - [ -0.0002140000000000, -0.0004032700000000, 0.0001300200000000 ] - [ -0.0006777500000000, -0.0007066300000000, -0.0004050800000000 ] - [ -0.0007079000000000, -0.0006779700000000, -0.0003619600000000 ] - [ -0.0005338500000000, 0.0000053800000000, 0.0000186800000000 ] - [ -0.0004893700000000, -0.0000400100000000, -0.0000602700000000 ] - [ -0.0013388600000000, -0.0000775100000000, 0.0044585600000000 ] - [ -0.0001450800000000, -0.0000126100000000, 0.0001203100000000 ] - [ -0.0000496600000000, 0.0003905500000000, -0.0008225200000000 ] - [ -0.0006209600000000, -0.0006551200000000, -0.0005199500000000 ] - [ 0.0003644800000000, -0.0008691500000000, -0.0003084500000000 ] - [ -0.0001250300000000, -0.0006743700000000, 0.0003617500000000 ] - [ -0.0001909100000000, -0.0002323900000000, -0.0001570200000000 ] - [ -0.0002080900000000, -0.0001875900000000, -0.0001339200000000 ] - [ -0.0059171000000000, 0.0045023000000000, 0.0051316400000000 ] - [ 0.0003171200000000, -0.0001266700000000, -0.0007791100000000 ] - [ -0.0048756200000000, 0.0053698600000000, 0.0020288200000000 ] - [ -0.0001083000000000, -0.0003649400000000, -0.0000590800000000 ] - [ -0.0001066600000000, -0.0000480700000000, 0.0001241600000000 ] - [ -0.0001213400000000, 0.0001392800000000, 0.0001474200000000 ] - [ -0.0007008200000000, -0.0005904300000000, 0.0008709000000000 ] - [ -0.0003077500000000, -0.0006881100000000, -0.0002182300000000 ] - [ 0.0005376600000000, 0.0000782100000000, 0.0003341700000000 ] - [ 0.0006151900000000, 0.0000071800000000, 0.0001554700000000 ] - [ 0.0001725900000000, -0.0000035400000000, -0.0001152500000000 ] - [ 0.0001652100000000, -0.0000180200000000, -0.0001289700000000 ] - [ -0.0004026100000000, 0.0001780600000000, 0.0002425800000000 ] - [ -0.0003762000000000, 0.0001828200000000, 0.0002420400000000 ] - [ 0.0001560800000000, 0.0002756200000000, 0.0000668100000000 ] - [ 0.0001025600000000, 0.0002037800000000, 0.0001257600000000 ] - [ 0.0001079400000000, 0.0002560300000000, -0.0018026000000000 ] - [ -0.0003879900000000, 0.0000758800000000, -0.0004745400000000 ] - [ 0.0003200900000000, -0.0000537800000000, -0.0001542700000000 ] - [ 0.0003505900000000, -0.0001141600000000, -0.0002354800000000 ] - [ 0.0000580300000000, -0.0002953900000000, 0.0000019900000000 ] - [ 0.0000667700000000, -0.0003573800000000, -0.0000078200000000 ] - [ 0.0048030500000000, -0.0012884300000000, -0.0017911900000000 ] - [ -0.0005964000000000, -0.0000464100000000, 0.0000446600000000 ] - [ -0.0003883700000000, -0.0064259300000000, 0.0091488800000000 ] - [ -0.0007177800000000, -0.0002900400000000, 0.0003023500000000 ] - [ 0.0120983200000000, 0.0036008100000000, -0.0263694800000000 ] - [ -0.0001695800000000, 0.0000899800000000, -0.0000753300000000 ] - [ 0.0004333800000000, -0.0006235200000000, 0.0003825300000000 ] - [ 0.0004227400000000, -0.0006350700000000, 0.0003573700000000 ] - [ -0.0012845900000000, 0.0001267800000000, -0.0024155300000000 ] - [ -0.0006858500000000, 0.0009143200000000, -0.0005571500000000 ] - [ -0.0000285900000000, 0.0001342900000000, -0.0004449800000000 ] - [ -0.0002586800000000, 0.0002944600000000, -0.0003525000000000 ] - [ -0.0005373500000000, 0.0008400900000000, 0.0001960300000000 ] - [ -0.0006879500000000, 0.0001667400000000, 0.0000683100000000 ] - [ -0.0000993700000000, 0.0002073400000000, -0.0000516700000000 ] - [ -0.0001315200000000, 0.0001823200000000, 0.0000079700000000 ] - [ 0.0007087800000000, 0.0002276600000000, -0.0000893500000000 ] - [ 0.0006434100000000, 0.0001895200000000, -0.0000333400000000 ] - [ -0.0002881400000000, -0.0000922000000000, 0.0006390300000000 ] - [ -0.0003215600000000, -0.0001278700000000, 0.0006359100000000 ] - [ 0.0000436800000000, 0.0000886600000000, 0.0000459300000000 ] - [ 0.0000248200000000, 0.0000755700000000, 0.0000512600000000 ] - [ 0.0001221200000000, 0.0005556700000000, 0.0001451800000000 ] - [ 0.0000935700000000, 0.0005477400000000, 0.0001554400000000 ] - [ 0.0000603200000000, 0.0002222800000000, 0.0015273900000000 ] - [ 0.0006242600000000, 0.0002115300000000, -0.0002366500000000 ] - [ -0.0001033500000000, 0.0000427200000000, -0.0005875400000000 ] - [ -0.0001035800000000, 0.0000384700000000, -0.0006734300000000 ] - [ 0.0014773200000000, 0.0001234800000000, -0.0025429600000000 ] - [ 0.0001018900000000, -0.0002025500000000, 0.0001338300000000 ] - [ -0.0000737100000000, 0.0005640400000000, 0.0011350600000000 ] - [ 0.0000677900000000, 0.0005992500000000, 0.0002163600000000 ] - [ 0.0007038900000000, -0.0002974400000000, -0.0002844200000000 ] - [ 0.0006948100000000, -0.0003022300000000, -0.0002774000000000 ] - [ -0.0001786500000000, -0.0004163200000000, 0.0014803600000000 ] - [ 0.0003215000000000, -0.0002299100000000, -0.0001284900000000 ] - [ 0.0046493200000000, -0.0040335500000000, 0.0047583700000000 ] - [ -0.0004791500000000, -0.0005417800000000, 0.0004100500000000 ] - [ 0.0003595300000000, -0.0005248800000000, -0.0002120800000000 ] - [ 0.0003470000000000, -0.0005180900000000, -0.0002181300000000 ] - [ 0.0000270700000000, -0.0005996100000000, -0.0005310700000000 ] - [ 0.0000079900000000, -0.0006710300000000, -0.0003788000000000 ] - [ 0.0000003600000000, 0.0006441000000000, 0.0003392100000000 ] - [ 0.0000179100000000, 0.0006150100000000, 0.0002763400000000 ] - [ 0.0004106100000000, 0.0004454500000000, -0.0019935500000000 ] - [ -0.0002056300000000, 0.0002420900000000, -0.0001621100000000 ] - [ 0.0001669500000000, 0.0001778500000000, 0.0001948600000000 ] - [ -0.0000448400000000, 0.0002123200000000, 0.0002405900000000 ] - [ -0.0000786100000000, 0.0005331500000000, -0.0000442300000000 ] - [ 0.0000043400000000, 0.0005388700000000, -0.0001950200000000 ] - [ -0.0002105800000000, -0.0001997200000000, 0.0001438800000000 ] - [ -0.0001849000000000, -0.0002153400000000, 0.0001207800000000 ] - [ 0.0003809300000000, -0.0000639100000000, -0.0000222600000000 ] - [ 0.0003855500000000, -0.0000777300000000, -0.0000102200000000 ] - [ -0.0004747300000000, 0.0002608400000000, 0.0011874900000000 ] - [ -0.0003511200000000, -0.0001063600000000, 0.0002587500000000 ] - [ -0.0000917300000000, -0.0001030600000000, 0.0017108500000000 ] - [ 0.0001541100000000, 0.0000496300000000, 0.0007130200000000 ] - [ 0.0000031400000000, -0.0000701600000000, -0.0001690900000000 ] - [ 0.0001275100000000, 0.0001050100000000, -0.0001971400000000 ] - [ -0.0004491700000000, 0.0005528200000000, 0.0005530900000000 ] - [ 0.0006193300000000, 0.0009534800000000, -0.0001928600000000 ] - [ 0.0002786300000000, 0.0001117200000000, 0.0003765400000000 ] - [ 0.0002189600000000, 0.0001458800000000, 0.0004438700000000 ]- atom: 85 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ 0.0002796900000000, -0.0007770700000000, -0.0002586400000000 ] - [ -0.0003344200000000, 0.0001696100000000, 0.0001175900000000 ] - [ 0.0001212500000000, 0.0003114600000000, -0.0001435400000000 ] - [ 0.0000810300000000, 0.0003787800000000, -0.0001886600000000 ] - [ -0.0006156900000000, 0.0018552500000000, -0.0000833700000000 ] - [ 0.0001397800000000, 0.0006455800000000, -0.0003773200000000 ] - [ -0.0024002600000000, -0.0012844200000000, -0.0023535200000000 ] - [ -0.0003684800000000, 0.0003820500000000, -0.0000321900000000 ] - [ -0.0005104000000000, 0.0000255500000000, 0.0003469400000000 ] - [ -0.0005379800000000, 0.0000161300000000, 0.0003687600000000 ] - [ 0.0040991800000000, 0.0031283800000000, 0.0046484300000000 ] - [ 0.0004761100000000, -0.0000028900000000, -0.0001469600000000 ] - [ -0.0000885400000000, 0.0015473400000000, -0.0000340100000000 ] - [ -0.0000573900000000, 0.0007123500000000, 0.0000166100000000 ] - [ 0.0001868300000000, 0.0002925900000000, -0.0003446800000000 ] - [ 0.0002109500000000, 0.0003031600000000, -0.0003655600000000 ] - [ -0.0014391800000000, -0.0005786900000000, 0.0003754500000000 ] - [ 0.0002734500000000, 0.0001705800000000, -0.0004037400000000 ] - [ 0.0017581600000000, 0.0020709600000000, 0.0003222800000000 ] - [ -0.0005005800000000, 0.0006456000000000, 0.0001786200000000 ] - [ 0.0003529700000000, -0.0000057300000000, 0.0003721200000000 ] - [ 0.0001813800000000, 0.0003253200000000, 0.0003020500000000 ] - [ 0.0002643600000000, 0.0006197300000000, 0.0002986500000000 ] - [ 0.0001498600000000, 0.0005062300000000, 0.0002924900000000 ] - [ -0.0010634000000000, -0.0007213900000000, 0.0050496700000000 ] - [ 0.0000492500000000, 0.0000243100000000, 0.0000461500000000 ] - [ 0.0003888500000000, -0.0005040600000000, 0.0008327500000000 ] - [ 0.0005228600000000, -0.0003786800000000, 0.0001720700000000 ] - [ 0.0085687800000000, -0.0047982800000000, -0.0072880200000000 ] - [ -0.0008752600000000, -0.0007301800000000, -0.0000070200000000 ] - [ 0.0004261300000000, -0.0006915100000000, -0.0001550200000000 ] - [ 0.0003646200000000, -0.0006970200000000, -0.0001355600000000 ] - [ -0.0003788800000000, 0.0001266000000000, 0.0054979500000000 ] - [ 0.0007796600000000, -0.0006599800000000, 0.0003415600000000 ] - [ -0.0008628100000000, -0.0000408600000000, 0.0004784500000000 ] - [ -0.0008818700000000, -0.0001051800000000, 0.0005180500000000 ] - [ -0.0005232800000000, -0.0002734200000000, 0.0001193000000000 ] - [ -0.0004676300000000, -0.0003666000000000, -0.0001412200000000 ] - [ 0.0005997800000000, -0.0001986600000000, -0.0007529700000000 ] - [ 0.0001716400000000, -0.0003554000000000, -0.0000987600000000 ] - [ 0.0015522300000000, 0.0050179600000000, -0.0107371000000000 ] - [ 0.0006910500000000, -0.0000817400000000, -0.0005672100000000 ] - [ 0.0001679200000000, 0.0000624300000000, 0.0001349500000000 ] - [ 0.0001385400000000, 0.0000396300000000, 0.0000945600000000 ] - [ -0.0002516900000000, -0.0004146700000000, -0.0001496000000000 ] - [ -0.0003818600000000, -0.0002846100000000, 0.0000201800000000 ] - [ -0.0007274800000000, -0.0006661700000000, -0.0003201500000000 ] - [ -0.0006986300000000, -0.0006947100000000, -0.0003629000000000 ] - [ -0.0005852200000000, 0.0000632800000000, -0.0001808000000000 ] - [ -0.0006295900000000, 0.0001054500000000, -0.0001017200000000 ] - [ 0.0010131400000000, 0.0000451300000000, -0.0042368900000000 ] - [ -0.0001887900000000, -0.0000209400000000, 0.0001384500000000 ] - [ 0.0002878600000000, -0.0000231400000000, 0.0008009800000000 ] - [ 0.0008595100000000, 0.0010376100000000, 0.0005065300000000 ] - [ -0.0003991800000000, -0.0003477700000000, 0.0010572600000000 ] - [ 0.0000963600000000, -0.0005476200000000, 0.0003886100000000 ] - [ -0.0001996200000000, -0.0002009400000000, -0.0000893600000000 ] - [ -0.0001828900000000, -0.0002474000000000, -0.0001122700000000 ] - [ 0.0064502900000000, -0.0046850500000000, -0.0063564400000000 ] - [ 0.0003102300000000, -0.0001300000000000, -0.0004974000000000 ] - [ 0.0047880100000000, -0.0061337000000000, -0.0020177700000000 ] - [ -0.0000177800000000, -0.0003319500000000, 0.0000623100000000 ] - [ -0.0001016000000000, 0.0003450900000000, 0.0002180000000000 ] - [ -0.0000840300000000, 0.0001565900000000, 0.0001913800000000 ] - [ -0.0001617500000000, -0.0006842100000000, -0.0015930500000000 ] - [ -0.0005471200000000, -0.0005825300000000, -0.0005058800000000 ] - [ 0.0005809800000000, -0.0000117600000000, -0.0001704100000000 ] - [ 0.0005047800000000, 0.0000579300000000, 0.0000068600000000 ] - [ 0.0001634100000000, -0.0000283300000000, -0.0001408700000000 ] - [ 0.0001712500000000, -0.0000139700000000, -0.0001271300000000 ] - [ -0.0003814100000000, 0.0001722900000000, 0.0002287100000000 ] - [ -0.0004078100000000, 0.0001676900000000, 0.0002291900000000 ] - [ 0.0001078800000000, 0.0001454200000000, 0.0002014200000000 ] - [ 0.0001627100000000, 0.0002182300000000, 0.0001432900000000 ] - [ -0.0005816600000000, 0.0000137300000000, 0.0008990700000000 ] - [ -0.0000873800000000, 0.0002162400000000, -0.0004269800000000 ] - [ 0.0003757500000000, -0.0001558400000000, -0.0003192400000000 ] - [ 0.0003463500000000, -0.0000970200000000, -0.0002377800000000 ] - [ 0.0000709500000000, -0.0004012800000000, -0.0000035300000000 ] - [ 0.0000618900000000, -0.0003391100000000, 0.0000068100000000 ] - [ -0.0056232400000000, 0.0011570900000000, 0.0017649600000000 ] - [ -0.0001718300000000, -0.0000956700000000, -0.0000237600000000 ] - [ -0.0010035900000000, 0.0057122700000000, -0.0084737700000000 ] - [ -0.0006819400000000, -0.0003054000000000, 0.0002623700000000 ] - [ -0.0124371900000000, -0.0034237600000000, 0.0262264100000000 ] - [ 0.0001045500000000, 0.0000624300000000, -0.0000306500000000 ] - [ 0.0004223800000000, -0.0006443000000000, 0.0003396100000000 ] - [ 0.0004335100000000, -0.0006333700000000, 0.0003649100000000 ] - [ 0.0011151700000000, 0.0009717500000000, 0.0020976700000000 ] - [ 0.0004779600000000, 0.0001704800000000, 0.0002483400000000 ] - [ -0.0001287800000000, 0.0001769200000000, -0.0000762700000000 ] - [ 0.0000971700000000, 0.0000130400000000, -0.0001678500000000 ] - [ -0.0007917400000000, -0.0004862700000000, -0.0000872900000000 ] - [ -0.0006404900000000, 0.0001819900000000, 0.0000464100000000 ] - [ -0.0001331700000000, 0.0001677200000000, 0.0000733100000000 ] - [ -0.0001000600000000, 0.0001928900000000, 0.0000136000000000 ] - [ 0.0006199300000000, 0.0001236900000000, -0.0000201100000000 ] - [ 0.0006868200000000, 0.0001592500000000, -0.0000799200000000 ] - [ -0.0003379900000000, -0.0001632900000000, 0.0006404600000000 ] - [ -0.0003034300000000, -0.0001275800000000, 0.0006433700000000 ] - [ 0.0000242900000000, 0.0000643300000000, 0.0000624100000000 ] - [ 0.0000434000000000, 0.0000770100000000, 0.0000571800000000 ] - [ 0.0000898400000000, 0.0005350000000000, 0.0001703400000000 ] - [ 0.0001189700000000, 0.0005428100000000, 0.0001602400000000 ] - [ 0.0007325500000000, 0.0001203400000000, -0.0019952900000000 ] - [ 0.0001625800000000, 0.0001369600000000, -0.0002304900000000 ] - [ -0.0000983500000000, 0.0000224700000000, -0.0007624700000000 ] - [ -0.0000968800000000, 0.0000277300000000, -0.0006762500000000 ] - [ -0.0011154000000000, -0.0005923400000000, 0.0027782500000000 ] - [ 0.0002912000000000, -0.0002341500000000, 0.0001130700000000 ] - [ 0.0001121400000000, 0.0005271700000000, -0.0007111400000000 ] - [ -0.0000304500000000, 0.0004986600000000, 0.0002065900000000 ] - [ 0.0006969900000000, -0.0002972000000000, -0.0002776800000000 ] - [ 0.0007065400000000, -0.0002919500000000, -0.0002850500000000 ] - [ 0.0005739600000000, 0.0000259600000000, -0.0017047300000000 ] - [ 0.0000737300000000, -0.0001722500000000, -0.0000980300000000 ] - [ -0.0054173000000000, 0.0030254500000000, -0.0043349300000000 ] - [ -0.0002244800000000, -0.0004968500000000, 0.0000286900000000 ] - [ 0.0003474600000000, -0.0005124900000000, -0.0002254800000000 ] - [ 0.0003605500000000, -0.0005193500000000, -0.0002190000000000 ] - [ 0.0000054500000000, -0.0006242700000000, -0.0002182100000000 ] - [ 0.0000235800000000, -0.0005500800000000, -0.0003698300000000 ] - [ 0.0000404900000000, 0.0005794100000000, 0.0002202600000000 ] - [ 0.0000236900000000, 0.0006092500000000, 0.0002835300000000 ] - [ -0.0006614000000000, 0.0000207500000000, 0.0017303000000000 ] - [ -0.0000552300000000, 0.0001790700000000, -0.0001047900000000 ] - [ -0.0000065100000000, 0.0001292100000000, 0.0003284400000000 ] - [ 0.0002060200000000, 0.0000959500000000, 0.0002829900000000 ] - [ 0.0000418500000000, 0.0005651600000000, -0.0003753600000000 ] - [ -0.0000399000000000, 0.0005602800000000, -0.0002251600000000 ] - [ -0.0001843800000000, -0.0002006800000000, 0.0000858000000000 ] - [ -0.0002102200000000, -0.0001856300000000, 0.0001083800000000 ] - [ 0.0003918000000000, -0.0000770200000000, 0.0000014600000000 ] - [ 0.0003870400000000, -0.0000631300000000, -0.0000104600000000 ] - [ -0.0002277000000000, -0.0004785900000000, -0.0007108100000000 ] - [ -0.0003437700000000, -0.0001051400000000, 0.0002157200000000 ] - [ 0.0002898500000000, 0.0001746500000000, -0.0003568700000000 ] - [ 0.0000497300000000, 0.0000166700000000, 0.0006392900000000 ] - [ 0.0002038100000000, 0.0003669900000000, -0.0001720900000000 ] - [ 0.0000790300000000, 0.0001915600000000, -0.0001396700000000 ] - [ 0.0004033700000000, 0.0006719700000000, -0.0011103500000000 ] - [ -0.0006535700000000, 0.0002727200000000, -0.0003670500000000 ] - [ 0.0001967100000000, 0.0001813600000000, 0.0005264100000000 ] - [ 0.0002587500000000, 0.0001445100000000, 0.0004607700000000 ]- atom: 89 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ 0.0019827300000000, -0.0006656900000000, 0.0001262100000000 ] - [ -0.0011985800000000, 0.0004006900000000, -0.0005185500000000 ] - [ -0.0002212600000000, 0.0000986200000000, -0.0001970800000000 ] - [ 0.0004533700000000, 0.0006519200000000, -0.0000661400000000 ] - [ 0.0015928600000000, 0.0002956800000000, 0.0004866700000000 ] - [ -0.0008847100000000, 0.0008533900000000, -0.0003158100000000 ] - [ -0.0029159400000000, -0.0003810900000000, 0.0007779800000000 ] - [ 0.0034597200000000, 0.0022327200000000, -0.0001847100000000 ] - [ -0.0001020100000000, 0.0000493200000000, 0.0004635500000000 ] - [ -0.0008849000000000, -0.0000680400000000, 0.0002493100000000 ] - [ -0.0010695500000000, -0.0008948900000000, -0.0019351700000000 ] - [ 0.0002724100000000, 0.0016941400000000, 0.0004840400000000 ] - [ -0.0006184600000000, 0.0014775800000000, 0.0001457000000000 ] - [ 0.0000785600000000, -0.0007385900000000, -0.0001004800000000 ] - [ 0.0005910900000000, 0.0001690300000000, -0.0002435300000000 ] - [ -0.0001467700000000, 0.0003030900000000, -0.0004344800000000 ] - [ 0.0065306300000000, 0.0027236100000000, -0.0020438500000000 ] - [ -0.0016843500000000, 0.0005894600000000, -0.0003121500000000 ] - [ 0.0067610900000000, -0.0007747500000000, -0.0006368200000000 ] - [ -0.0017773800000000, 0.0005621000000000, -0.0006729400000000 ] - [ -0.0002021000000000, 0.0007961300000000, 0.0000108400000000 ] - [ 0.0005334300000000, -0.0004133900000000, 0.0005211900000000 ] - [ -0.0000729100000000, 0.0002642400000000, 0.0001653700000000 ] - [ 0.0004386900000000, 0.0007014700000000, 0.0003482300000000 ] - [ 0.0011018200000000, 0.0000692200000000, 0.0013320300000000 ] - [ -0.0017034900000000, 0.0004010700000000, -0.0006434800000000 ] - [ 0.0002130900000000, -0.0010149400000000, 0.0000669800000000 ] - [ 0.0002437800000000, 0.0005961100000000, -0.0000095600000000 ] - [ 0.0184273000000000, 0.0093560100000000, 0.0018547500000000 ] - [ -0.0021277700000000, -0.0003011800000000, -0.0001732000000000 ] - [ 0.0003608600000000, -0.0004804300000000, -0.0001380300000000 ] - [ 0.0003414200000000, -0.0009409300000000, -0.0001351700000000 ] - [ 0.0002582000000000, 0.0000131100000000, 0.0002004500000000 ] - [ -0.0001271000000000, -0.0019555400000000, -0.0010346800000000 ] - [ -0.0005509600000000, -0.0002691100000000, 0.0005986100000000 ] - [ -0.0011624200000000, -0.0000111700000000, 0.0004535300000000 ] - [ 0.0000740800000000, -0.0000200900000000, 0.0004070600000000 ] - [ -0.0010920800000000, -0.0006902000000000, -0.0004064200000000 ] - [ -0.0001102100000000, -0.0013964100000000, -0.0001928800000000 ] - [ -0.0000798300000000, 0.0008506600000000, -0.0000412400000000 ] - [ -0.0025805900000000, 0.0025502700000000, -0.0018802100000000 ] - [ -0.0016595100000000, -0.0018519000000000, -0.0001905300000000 ] - [ 0.0001521600000000, 0.0001523400000000, 0.0001083100000000 ] - [ 0.0001101800000000, -0.0001651800000000, 0.0000777400000000 ] - [ 0.0013629800000000, 0.0011355200000000, -0.0000637200000000 ] - [ -0.0009729400000000, -0.0006799800000000, -0.0000367500000000 ] - [ -0.0004285800000000, -0.0008610500000000, -0.0002787800000000 ] - [ -0.0009884200000000, -0.0006201800000000, -0.0004452800000000 ] - [ -0.0003037700000000, 0.0001728600000000, -0.0000107500000000 ] - [ -0.0009479600000000, -0.0001694000000000, -0.0001613700000000 ] - [ 0.0001810100000000, -0.0000994900000000, -0.0000767500000000 ] - [ 0.0008804500000000, -0.0000296800000000, 0.0013477500000000 ] - [ -0.0033098100000000, -0.0025814300000000, -0.0003606800000000 ] - [ 0.0008953300000000, 0.0003607200000000, 0.0001846900000000 ] - [ 0.0006807500000000, -0.0011362200000000, 0.0006297300000000 ] - [ -0.0000223700000000, 0.0005825800000000, -0.0000268600000000 ] - [ -0.0004854700000000, -0.0002233900000000, -0.0001339900000000 ] - [ 0.0000056000000000, -0.0001516800000000, -0.0000952000000000 ] - [ -0.0006245100000000, 0.0020767500000000, 0.0019105500000000 ] - [ 0.0010059200000000, -0.0003750800000000, -0.0004787300000000 ] - [ 0.0008622800000000, -0.0008994800000000, -0.0004326100000000 ] - [ 0.0021551700000000, 0.0014338200000000, 0.0010121600000000 ] - [ 0.0000829800000000, 0.0005284600000000, 0.0001324200000000 ] - [ -0.0000776300000000, -0.0003488900000000, 0.0002234800000000 ] - [ -0.0015340500000000, -0.0013216400000000, -0.0020494600000000 ] - [ 0.0002592100000000, -0.0004952200000000, -0.0000617100000000 ] - [ 0.0004007800000000, -0.0002111200000000, -0.0018976100000000 ] - [ 0.0010308900000000, 0.0000462000000000, 0.0002801000000000 ] - [ 0.0000507700000000, -0.0000135900000000, -0.0001790000000000 ] - [ 0.0002967700000000, 0.0000207200000000, -0.0000790400000000 ] - [ -0.0005721800000000, 0.0001887500000000, 0.0001727200000000 ] - [ -0.0002166800000000, 0.0002060500000000, 0.0002932100000000 ] - [ 0.0000963300000000, 0.0005025500000000, 0.0001451100000000 ] - [ 0.0002303800000000, 0.0000019100000000, 0.0001430800000000 ] - [ -0.0006386900000000, 0.0016555200000000, -0.0004517000000000 ] - [ 0.0003415600000000, -0.0001257800000000, -0.0003192900000000 ] - [ 0.0002848700000000, 0.0001439200000000, -0.0002596300000000 ] - [ 0.0004523500000000, -0.0003059700000000, -0.0002017700000000 ] - [ -0.0000795900000000, -0.0002590400000000, -0.0000394200000000 ] - [ 0.0002028200000000, -0.0003756500000000, 0.0000368300000000 ] - [ 0.0011192100000000, -0.0004403400000000, 0.0005668400000000 ] - [ 0.0053271600000000, 0.0006404100000000, -0.0048249000000000 ] - [ -0.0002779000000000, -0.0008805500000000, 0.0015467100000000 ] - [ 0.0001072500000000, 0.0001646500000000, 0.0001604000000000 ] - [ 0.0094812900000000, 0.0019418400000000, 0.0012265000000000 ] - [ 0.0016635200000000, -0.0001148200000000, -0.0002009400000000 ] - [ 0.0004660700000000, -0.0005972300000000, 0.0003731500000000 ] - [ 0.0003919700000000, -0.0006348700000000, 0.0003502800000000 ] - [ -0.0465725100000000, -0.0185498700000000, 0.0076641000000000 ] - [ 0.0008181900000000, 0.0005529200000000, -0.0000059100000000 ] - [ -0.0019357600000000, 0.0011944300000000, 0.0000617900000000 ] - [ 0.0004876500000000, 0.0001505200000000, -0.0001696900000000 ] - [ -0.0005450800000000, 0.0006474200000000, 0.0002108600000000 ] - [ -0.0004463200000000, -0.0003549900000000, 0.0000347000000000 ] - [ 0.0000712200000000, 0.0000237500000000, 0.0000816600000000 ] - [ -0.0002770800000000, 0.0004738900000000, -0.0000833600000000 ] - [ 0.0003583800000000, -0.0003043800000000, -0.0003483100000000 ] - [ 0.0009330000000000, 0.0003547900000000, 0.0000223100000000 ] - [ -0.0003378500000000, -0.0002315600000000, 0.0006070400000000 ] - [ -0.0002359100000000, 0.0000108000000000, 0.0006664400000000 ] - [ -0.0000894400000000, 0.0000752200000000, 0.0000373600000000 ] - [ 0.0001609100000000, 0.0001101000000000, 0.0000739300000000 ] - [ 0.0001931800000000, 0.0005760000000000, 0.0001811300000000 ] - [ 0.0000250200000000, 0.0005550800000000, 0.0001335500000000 ] - [ 0.0011963300000000, -0.0000254900000000, -0.0000052100000000 ] - [ -0.0004336600000000, 0.0008485800000000, 0.0029739400000000 ] - [ -0.0001384500000000, -0.0001352700000000, -0.0007438200000000 ] - [ 0.0000101700000000, 0.0002418900000000, -0.0006127800000000 ] - [ 0.0008466000000000, 0.0005777000000000, 0.0003258000000000 ] - [ 0.0006846100000000, -0.0019340700000000, -0.0010409100000000 ] - [ 0.0003699900000000, 0.0001620100000000, 0.0002677700000000 ] - [ -0.0004193500000000, 0.0012779800000000, 0.0004250300000000 ] - [ 0.0005891800000000, -0.0002089400000000, -0.0003157600000000 ] - [ 0.0008193200000000, -0.0003403400000000, -0.0002481100000000 ] - [ 0.0006188500000000, 0.0002021300000000, 0.0000048400000000 ] - [ -0.0005683000000000, -0.0016190300000000, 0.0006944900000000 ] - [ 0.0005688900000000, 0.0049753700000000, -0.0061298900000000 ] - [ 0.0003489100000000, -0.0006935400000000, 0.0004150800000000 ] - [ 0.0003652300000000, -0.0006014900000000, -0.0001942500000000 ] - [ 0.0003648600000000, -0.0003861800000000, -0.0002234400000000 ] - [ -0.0003562900000000, -0.0005155000000000, -0.0004217300000000 ] - [ 0.0002635500000000, -0.0006389700000000, -0.0003063500000000 ] - [ 0.0002090700000000, 0.0004796900000000, 0.0003019200000000 ] - [ -0.0001990300000000, 0.0008429200000000, 0.0002708700000000 ] - [ 0.0013905400000000, -0.0044254300000000, -0.0001327700000000 ] - [ 0.0007509900000000, 0.0006701400000000, 0.0000244100000000 ] - [ 0.0003973500000000, 0.0003556400000000, 0.0003468000000000 ] - [ -0.0002917800000000, -0.0001285400000000, 0.0001232000000000 ] - [ -0.0002610200000000, 0.0006710600000000, -0.0003153900000000 ] - [ 0.0002078600000000, 0.0005256000000000, -0.0001562600000000 ] - [ -0.0004691700000000, -0.0002025500000000, -0.0000200200000000 ] - [ 0.0000434400000000, -0.0001771900000000, 0.0001978400000000 ] - [ 0.0001961700000000, -0.0000693400000000, -0.0000420700000000 ] - [ 0.0005656500000000, -0.0000312200000000, 0.0000209100000000 ] - [ -0.0006384600000000, -0.0006086300000000, -0.0002227400000000 ] - [ 0.0003818200000000, 0.0003738800000000, 0.0005622300000000 ] - [ -0.0000208400000000, 0.0007995800000000, 0.0005107200000000 ] - [ 0.0006084900000000, -0.0002354300000000, 0.0008442400000000 ] - [ -0.0009016700000000, 0.0005162000000000, -0.0000792500000000 ] - [ 0.0004544400000000, 0.0001884900000000, -0.0000845700000000 ] - [ -0.0013874500000000, 0.0005067100000000, -0.0011086400000000 ] - [ 0.0007463500000000, 0.0007176100000000, -0.0000448800000000 ] - [ 0.0002483800000000, -0.0003158900000000, 0.0005729600000000 ] - [ 0.0003911600000000, 0.0004058000000000, 0.0004569400000000 ]- atom: 89 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ -0.0023932600000000, 0.0013119100000000, -0.0006470000000000 ] - [ 0.0007961000000000, 0.0002335100000000, 0.0000075300000000 ] - [ 0.0004347500000000, 0.0006474400000000, -0.0000657000000000 ] - [ -0.0002459800000000, 0.0000928100000000, -0.0001985100000000 ] - [ -0.0015332700000000, 0.0011684300000000, -0.0006236100000000 ] - [ 0.0009506000000000, 0.0005967900000000, 0.0001734500000000 ] - [ 0.0025031100000000, 0.0009685200000000, -0.0000764000000000 ] - [ -0.0042981100000000, -0.0014354300000000, 0.0007463100000000 ] - [ -0.0009448300000000, -0.0000496500000000, 0.0002388800000000 ] - [ -0.0001615700000000, 0.0000716800000000, 0.0004533200000000 ] - [ 0.0021263100000000, 0.0008962700000000, 0.0012256600000000 ] - [ 0.0007698500000000, -0.0016933000000000, -0.0011964700000000 ] - [ 0.0005617400000000, -0.0000210400000000, -0.0000006700000000 ] - [ -0.0001512900000000, 0.0021962800000000, 0.0002405700000000 ] - [ -0.0001819300000000, 0.0004167200000000, -0.0004502500000000 ] - [ 0.0005578000000000, 0.0002859800000000, -0.0002588200000000 ] - [ -0.0067164200000000, -0.0019774700000000, 0.0023224500000000 ] - [ 0.0014772000000000, 0.0001637900000000, 0.0005762800000000 ] - [ -0.0071580000000000, 0.0017660300000000, 0.0000675300000000 ] - [ 0.0014065200000000, 0.0004650300000000, 0.0001584500000000 ] - [ 0.0006149100000000, -0.0001558700000000, 0.0005023800000000 ] - [ -0.0001346000000000, 0.0010480900000000, -0.0000110300000000 ] - [ 0.0004531800000000, 0.0007566700000000, 0.0003514200000000 ] - [ -0.0000640600000000, 0.0003177900000000, 0.0001673900000000 ] - [ -0.0013991000000000, 0.0000131300000000, -0.0015102200000000 ] - [ 0.0014091200000000, -0.0003286900000000, 0.0004611900000000 ] - [ 0.0007714200000000, 0.0003058500000000, 0.0002779400000000 ] - [ 0.0007351600000000, -0.0013131200000000, 0.0003531000000000 ] - [ -0.0187237100000000, -0.0099011800000000, -0.0014930400000000 ] - [ 0.0013659700000000, -0.0010959900000000, 0.0004309000000000 ] - [ 0.0004165900000000, -0.0009142000000000, -0.0001216400000000 ] - [ 0.0004317500000000, -0.0004534500000000, -0.0001263900000000 ] - [ 0.0011547700000000, -0.0013796300000000, 0.0005218300000000 ] - [ 0.0015225700000000, 0.0005951500000000, 0.0017619500000000 ] - [ -0.0011711800000000, 0.0001117100000000, 0.0004538100000000 ] - [ -0.0005603000000000, -0.0001479700000000, 0.0005990100000000 ] - [ -0.0010436900000000, -0.0006996600000000, -0.0007436500000000 ] - [ 0.0001153000000000, -0.0000167900000000, 0.0000684100000000 ] - [ 0.0007079000000000, 0.0007109400000000, 0.0000529400000000 ] - [ 0.0006713700000000, -0.0015435200000000, -0.0001003000000000 ] - [ 0.0043035200000000, -0.0026931500000000, 0.0008151700000000 ] - [ 0.0033952600000000, 0.0017063800000000, -0.0008757500000000 ] - [ 0.0001516300000000, -0.0000756500000000, 0.0000844600000000 ] - [ 0.0001887600000000, 0.0002416300000000, 0.0001137400000000 ] - [ -0.0019465000000000, -0.0018311100000000, 0.0002147400000000 ] - [ 0.0003774400000000, -0.0000043800000000, 0.0001868400000000 ] - [ -0.0009759100000000, -0.0005108600000000, -0.0004471200000000 ] - [ -0.0004163900000000, -0.0007537400000000, -0.0002805200000000 ] - [ -0.0008166100000000, -0.0001056900000000, -0.0001523700000000 ] - [ -0.0001680600000000, 0.0002370300000000, -0.0000004200000000 ] - [ -0.0005223300000000, 0.0000662800000000, 0.0003288300000000 ] - [ -0.0012188000000000, -0.0000092900000000, -0.0011037900000000 ] - [ 0.0035773800000000, 0.0028947100000000, 0.0003442000000000 ] - [ -0.0006632900000000, 0.0000151600000000, -0.0002062500000000 ] - [ -0.0007121100000000, -0.0000887300000000, 0.0001204600000000 ] - [ 0.0000048000000000, -0.0018100500000000, 0.0007827800000000 ] - [ 0.0000955800000000, -0.0002076800000000, -0.0001127800000000 ] - [ -0.0003954900000000, -0.0002839000000000, -0.0001515500000000 ] - [ 0.0012308800000000, -0.0023419600000000, -0.0031988900000000 ] - [ -0.0003805200000000, 0.0001201300000000, -0.0007995800000000 ] - [ -0.0009905300000000, 0.0001965600000000, 0.0004304900000000 ] - [ -0.0023053400000000, -0.0021543700000000, -0.0010211600000000 ] - [ -0.0002908200000000, -0.0002309500000000, 0.0002043900000000 ] - [ -0.0001271400000000, 0.0006502600000000, 0.0001143900000000 ] - [ 0.0006807300000000, 0.0000416500000000, 0.0013226200000000 ] - [ -0.0011152800000000, -0.0007775100000000, -0.0006605200000000 ] - [ 0.0007273600000000, 0.0002944500000000, 0.0020525400000000 ] - [ 0.0000881900000000, 0.0000176700000000, -0.0001177000000000 ] - [ 0.0002860200000000, -0.0000186700000000, -0.0000778700000000 ] - [ 0.0000409100000000, -0.0000532400000000, -0.0001776500000000 ] - [ -0.0002098500000000, 0.0001613400000000, 0.0002980800000000 ] - [ -0.0005670300000000, 0.0001436300000000, 0.0001772000000000 ] - [ 0.0001679600000000, -0.0000806700000000, 0.0001223400000000 ] - [ 0.0000357300000000, 0.0004216500000000, 0.0001248600000000 ] - [ 0.0001572200000000, -0.0013636900000000, -0.0004522200000000 ] - [ -0.0008194100000000, 0.0004209600000000, -0.0005840600000000 ] - [ 0.0004110000000000, -0.0003550100000000, -0.0002142400000000 ] - [ 0.0002450700000000, 0.0000967000000000, -0.0002720000000000 ] - [ 0.0002099000000000, -0.0004382400000000, 0.0000370500000000 ] - [ -0.0000730200000000, -0.0003206700000000, -0.0000387500000000 ] - [ -0.0018857800000000, 0.0002948100000000, -0.0005411200000000 ] - [ -0.0061900200000000, -0.0007960100000000, 0.0049425100000000 ] - [ -0.0011285300000000, 0.0002806100000000, -0.0009789400000000 ] - [ -0.0015090300000000, -0.0007658400000000, 0.0004065200000000 ] - [ -0.0093969000000000, -0.0017455700000000, -0.0013092600000000 ] - [ -0.0017401900000000, 0.0002649400000000, 0.0000983400000000 ] - [ 0.0003894700000000, -0.0006721400000000, 0.0003479700000000 ] - [ 0.0004651500000000, -0.0006342400000000, 0.0003712900000000 ] - [ 0.0460991000000000, 0.0186383100000000, -0.0079852400000000 ] - [ -0.0010314600000000, 0.0005341900000000, -0.0003092300000000 ] - [ 0.0017851600000000, -0.0008643800000000, -0.0005796700000000 ] - [ -0.0006496200000000, 0.0001563200000000, -0.0003530200000000 ] - [ -0.0007868900000000, -0.0002973300000000, -0.0000975000000000 ] - [ -0.0008825100000000, 0.0007083500000000, 0.0000792400000000 ] - [ -0.0003039900000000, 0.0003509500000000, -0.0000608900000000 ] - [ 0.0000474900000000, -0.0000978600000000, 0.0001051500000000 ] - [ 0.0009695100000000, 0.0006577700000000, 0.0002334000000000 ] - [ 0.0003980200000000, -0.0000064400000000, -0.0001356700000000 ] - [ -0.0002887400000000, -0.0000242700000000, 0.0006708800000000 ] - [ -0.0003882600000000, -0.0002665200000000, 0.0006122200000000 ] - [ 0.0001578900000000, 0.0000771500000000, 0.0000700400000000 ] - [ -0.0000914200000000, 0.0000420800000000, 0.0000337700000000 ] - [ 0.0000186700000000, 0.0005136000000000, 0.0001333300000000 ] - [ 0.0001888600000000, 0.0005351800000000, 0.0001815500000000 ] - [ -0.0004124500000000, 0.0003729600000000, -0.0004668700000000 ] - [ 0.0012467000000000, -0.0005061000000000, -0.0034522700000000 ] - [ -0.0000651100000000, 0.0002032500000000, -0.0006086000000000 ] - [ -0.0002086400000000, -0.0001759400000000, -0.0007383900000000 ] - [ -0.0004545800000000, -0.0010076200000000, -0.0000776800000000 ] - [ -0.0002921800000000, 0.0015117300000000, 0.0013020000000000 ] - [ -0.0003357900000000, 0.0009342500000000, 0.0001519200000000 ] - [ 0.0004642500000000, -0.0001832900000000, -0.0000041700000000 ] - [ 0.0008129600000000, -0.0003866800000000, -0.0002471400000000 ] - [ 0.0005829700000000, -0.0002544200000000, -0.0003148600000000 ] - [ -0.0002261500000000, -0.0006011100000000, -0.0002346400000000 ] - [ 0.0009750100000000, 0.0012288100000000, -0.0009301300000000 ] - [ -0.0012973100000000, -0.0059869100000000, 0.0065420400000000 ] - [ -0.0010573600000000, -0.0003436500000000, 0.0000219200000000 ] - [ 0.0003411200000000, -0.0004361400000000, -0.0002440300000000 ] - [ 0.0003437100000000, -0.0006506400000000, -0.0002145000000000 ] - [ 0.0003891800000000, -0.0007093200000000, -0.0003280700000000 ] - [ -0.0002317400000000, -0.0005814900000000, -0.0004442500000000 ] - [ -0.0001690100000000, 0.0007441000000000, 0.0002560100000000 ] - [ 0.0002426700000000, 0.0003822100000000, 0.0002878300000000 ] - [ -0.0016489900000000, 0.0048081000000000, -0.0001372400000000 ] - [ -0.0010143300000000, -0.0002529900000000, -0.0002917100000000 ] - [ -0.0002373700000000, -0.0000453500000000, 0.0001754300000000 ] - [ 0.0004570800000000, 0.0004385600000000, 0.0003999400000000 ] - [ 0.0002273000000000, 0.0004260600000000, -0.0001044800000000 ] - [ -0.0002434100000000, 0.0005742900000000, -0.0002638400000000 ] - [ 0.0000760800000000, -0.0001939200000000, 0.0002486000000000 ] - [ -0.0004378500000000, -0.0002240100000000, 0.0000302700000000 ] - [ 0.0005786300000000, -0.0000719100000000, 0.0000207400000000 ] - [ 0.0002075500000000, -0.0001107300000000, -0.0000425400000000 ] - [ -0.0000683000000000, 0.0003980400000000, 0.0006949500000000 ] - [ -0.0010779900000000, -0.0005893000000000, -0.0000908500000000 ] - [ 0.0002221200000000, -0.0007358200000000, 0.0008400400000000 ] - [ -0.0004068400000000, 0.0003049000000000, 0.0005068500000000 ] - [ 0.0011040200000000, -0.0002137600000000, -0.0002598100000000 ] - [ -0.0002457900000000, 0.0001064900000000, -0.0002525800000000 ] - [ 0.0013548600000000, 0.0007147000000000, 0.0005508300000000 ] - [ -0.0007882200000000, 0.0005072300000000, -0.0005135300000000 ] - [ 0.0002257800000000, 0.0006069400000000, 0.0003303700000000 ] - [ 0.0000878300000000, -0.0001157300000000, 0.0004477300000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003825500000000, -0.0027221200000000, 0.0020605300000000 ] - [ -0.0002105400000000, 0.0002252100000000, -0.0002674600000000 ] - [ -0.0001817100000000, -0.0005945800000000, -0.0001747900000000 ] - [ 0.0004381200000000, -0.0013438300000000, -0.0000300800000000 ] - [ 0.0002240100000000, -0.0023728300000000, -0.0021946300000000 ] - [ 0.0000702900000000, 0.0005339000000000, -0.0000548200000000 ] - [ -0.0010341700000000, 0.0014448700000000, 0.0004592900000000 ] - [ 0.0023752300000000, 0.0076831800000000, 0.0012279700000000 ] - [ -0.0004013500000000, -0.0019697500000000, 0.0003005400000000 ] - [ -0.0005904800000000, -0.0007237700000000, 0.0003293600000000 ] - [ -0.0006949600000000, 0.0012943000000000, -0.0010222400000000 ] - [ 0.0012013000000000, 0.0022324500000000, -0.0002381200000000 ] - [ 0.0009724000000000, 0.0004554500000000, 0.0001886900000000 ] - [ -0.0021117400000000, -0.0008698200000000, -0.0005838900000000 ] - [ 0.0002620500000000, -0.0016616000000000, -0.0002475900000000 ] - [ 0.0002265400000000, -0.0004479200000000, -0.0003300600000000 ] - [ 0.0024288300000000, 0.0155448700000000, -0.0085975300000000 ] - [ -0.0001388800000000, 0.0012934300000000, 0.0001481200000000 ] - [ -0.0014431800000000, 0.0101536100000000, 0.0024960300000000 ] - [ -0.0003251000000000, 0.0014092400000000, -0.0003078200000000 ] - [ 0.0008937100000000, 0.0000433900000000, 0.0005204400000000 ] - [ -0.0011923600000000, -0.0013247500000000, -0.0000212400000000 ] - [ -0.0000981400000000, -0.0004777900000000, 0.0001511000000000 ] - [ 0.0004116000000000, -0.0008863100000000, 0.0003203000000000 ] - [ -0.0003196000000000, 0.0029678500000000, 0.0002271900000000 ] - [ 0.0000855800000000, 0.0006494100000000, 0.0000228600000000 ] - [ -0.0003913800000000, -0.0009675200000000, -0.0001241500000000 ] - [ 0.0012777700000000, -0.0010144000000000, 0.0006211000000000 ] - [ 0.0100355600000000, 0.0240654500000000, 0.0020602100000000 ] - [ -0.0001112400000000, -0.0001000900000000, 0.0001512200000000 ] - [ 0.0006883100000000, -0.0017378500000000, -0.0000304000000000 ] - [ 0.0001024600000000, -0.0017404000000000, -0.0001952400000000 ] - [ 0.0017176100000000, 0.0011155700000000, 0.0006343900000000 ] - [ -0.0003008200000000, 0.0010761900000000, -0.0002601800000000 ] - [ -0.0010948100000000, -0.0016671400000000, 0.0004855000000000 ] - [ -0.0007660900000000, -0.0007490500000000, 0.0005541900000000 ] - [ 0.0007137500000000, -0.0020238400000000, 0.0004935700000000 ] - [ -0.0008647600000000, -0.0003521000000000, -0.0002827500000000 ] - [ -0.0010695800000000, -0.0012416700000000, -0.0004312600000000 ] - [ 0.0012230700000000, -0.0010338800000000, -0.0000801700000000 ] - [ 0.0029084500000000, 0.0029140600000000, 0.0000198100000000 ] - [ -0.0005040200000000, 0.0017492200000000, -0.0005576000000000 ] - [ 0.0004059400000000, -0.0009308800000000, 0.0001413300000000 ] - [ -0.0001468100000000, -0.0010194700000000, 0.0000145400000000 ] - [ 0.0012677600000000, -0.0033735500000000, 0.0003397600000000 ] - [ -0.0006906200000000, -0.0003578400000000, -0.0000149900000000 ] - [ -0.0008457800000000, -0.0021332500000000, -0.0004454500000000 ] - [ -0.0006081900000000, -0.0013638500000000, -0.0003478900000000 ] - [ -0.0003840500000000, 0.0003216600000000, -0.0000325400000000 ] - [ -0.0010296800000000, 0.0008140900000000, -0.0003484400000000 ] - [ 0.0003267900000000, -0.0014050700000000, 0.0002164000000000 ] - [ -0.0003723500000000, -0.0009907200000000, -0.0004681000000000 ] - [ -0.0028422400000000, 0.0147608000000000, -0.0002653500000000 ] - [ 0.0001764300000000, 0.0000369300000000, -0.0000099800000000 ] - [ -0.0006043100000000, -0.0008292800000000, 0.0001758200000000 ] - [ 0.0017928200000000, -0.0004395300000000, 0.0006056800000000 ] - [ -0.0002245300000000, 0.0011613900000000, -0.0001704300000000 ] - [ -0.0001226600000000, 0.0000378800000000, -0.0001262800000000 ] - [ 0.0022466100000000, 0.0008959700000000, 0.0038671000000000 ] - [ 0.0002083000000000, -0.0003829600000000, -0.0006717000000000 ] - [ -0.0005576000000000, -0.0013890500000000, -0.0000863500000000 ] - [ 0.0014037300000000, -0.0018830800000000, 0.0005028100000000 ] - [ 0.0003899400000000, 0.0006063600000000, 0.0001786600000000 ] - [ -0.0004269100000000, 0.0005989700000000, 0.0000772500000000 ] - [ -0.0012592200000000, -0.0049080100000000, -0.0009093800000000 ] - [ -0.0004795400000000, -0.0011421400000000, -0.0003953300000000 ] - [ 0.0015968000000000, 0.0028652700000000, -0.0008163500000000 ] - [ 0.0004973300000000, -0.0001630000000000, 0.0000568500000000 ] - [ 0.0001492600000000, 0.0006503300000000, -0.0001175400000000 ] - [ 0.0002625800000000, 0.0003879600000000, -0.0000986800000000 ] - [ -0.0003140800000000, 0.0009954700000000, 0.0002925500000000 ] - [ -0.0003115600000000, 0.0005479100000000, 0.0002715000000000 ] - [ 0.0003497100000000, 0.0008869800000000, 0.0002396000000000 ] - [ -0.0001124000000000, 0.0006321000000000, 0.0001091600000000 ] - [ 0.0013721100000000, 0.0018910800000000, -0.0001653800000000 ] - [ -0.0005645000000000, 0.0001216900000000, -0.0005091200000000 ] - [ 0.0005309700000000, 0.0004734800000000, -0.0002006600000000 ] - [ 0.0001367900000000, 0.0002981900000000, -0.0003317200000000 ] - [ 0.0000611800000000, 0.0005983100000000, 0.0000468400000000 ] - [ 0.0000219900000000, 0.0000180600000000, -0.0000131800000000 ] - [ -0.0001293300000000, -0.0008619800000000, 0.0000897500000000 ] - [ 0.0005848000000000, -0.0036600100000000, 0.0003125000000000 ] - [ -0.0013811400000000, -0.0015752800000000, -0.0000353700000000 ] - [ -0.0004396300000000, -0.0010714900000000, 0.0003112900000000 ] - [ 0.0029405400000000, -0.0026689100000000, 0.0003031800000000 ] - [ -0.0003413300000000, -0.0008781500000000, 0.0002492200000000 ] - [ 0.0003696800000000, -0.0001044400000000, 0.0003319800000000 ] - [ 0.0003542800000000, 0.0001062300000000, 0.0002786900000000 ] - [ -0.0192250400000000, -0.0722930700000000, 0.0063873500000000 ] - [ -0.0000962500000000, 0.0000450000000000, -0.0001348900000000 ] - [ 0.0007296600000000, 0.0052689100000000, 0.0004464400000000 ] - [ -0.0001847200000000, -0.0000323000000000, -0.0002862600000000 ] - [ -0.0000985600000000, 0.0004882600000000, 0.0003515300000000 ] - [ -0.0009902300000000, 0.0003220200000000, -0.0000234700000000 ] - [ -0.0003572900000000, 0.0005230400000000, -0.0000770500000000 ] - [ 0.0000719700000000, 0.0010069000000000, -0.0000224400000000 ] - [ 0.0001316600000000, 0.0012498400000000, 0.0001138700000000 ] - [ 0.0008753900000000, 0.0002505900000000, 0.0000002000000000 ] - [ -0.0004730400000000, 0.0003505700000000, 0.0006188700000000 ] - [ -0.0001012900000000, 0.0003699000000000, 0.0007003600000000 ] - [ 0.0000424400000000, 0.0007842700000000, 0.0000452800000000 ] - [ 0.0001420700000000, 0.0004966600000000, 0.0000799600000000 ] - [ 0.0000750000000000, 0.0010540600000000, 0.0001674300000000 ] - [ 0.0000955900000000, 0.0013200700000000, 0.0002127300000000 ] - [ 0.0004612500000000, -0.0004945500000000, -0.0001905800000000 ] - [ 0.0014066000000000, -0.0029177600000000, 0.0000397900000000 ] - [ -0.0006682400000000, 0.0005856800000000, -0.0008587600000000 ] - [ 0.0002846100000000, 0.0003216300000000, -0.0005646200000000 ] - [ 0.0007752800000000, -0.0004593200000000, 0.0002008900000000 ] - [ -0.0010079800000000, -0.0001767700000000, 0.0008198700000000 ] - [ -0.0003618600000000, 0.0003413400000000, 0.0001311800000000 ] - [ 0.0010875000000000, 0.0004477900000000, 0.0007352500000000 ] - [ 0.0007253000000000, 0.0004159600000000, -0.0003089000000000 ] - [ 0.0006378900000000, 0.0000615900000000, -0.0003006300000000 ] - [ 0.0005068000000000, -0.0003783300000000, 0.0000377300000000 ] - [ -0.0005894400000000, -0.0000895600000000, -0.0012676500000000 ] - [ 0.0047247000000000, 0.0020280200000000, -0.0074716400000000 ] - [ -0.0004413800000000, -0.0008186700000000, 0.0002006800000000 ] - [ 0.0002531400000000, -0.0000551600000000, -0.0002630600000000 ] - [ 0.0005251800000000, 0.0001614200000000, -0.0001784200000000 ] - [ 0.0000849500000000, 0.0008744400000000, -0.0003681300000000 ] - [ 0.0000226500000000, -0.0003696800000000, -0.0003658300000000 ] - [ -0.0001800000000000, 0.0009092500000000, 0.0002483900000000 ] - [ 0.0002032500000000, 0.0013728100000000, 0.0003958500000000 ] - [ -0.0046817000000000, 0.0025008600000000, -0.0006152700000000 ] - [ 0.0002394600000000, -0.0000964000000000, -0.0000480900000000 ] - [ 0.0002925600000000, 0.0004542000000000, 0.0003095600000000 ] - [ -0.0004912800000000, 0.0009403800000000, 0.0002881800000000 ] - [ 0.0000074900000000, 0.0016721100000000, -0.0002325000000000 ] - [ -0.0000040400000000, 0.0007942100000000, -0.0002118300000000 ] - [ -0.0001780900000000, 0.0009206500000000, 0.0001271300000000 ] - [ -0.0002115800000000, 0.0000266900000000, 0.0001284900000000 ] - [ 0.0005043700000000, 0.0008501000000000, -0.0000347800000000 ] - [ 0.0004790100000000, 0.0003128000000000, -0.0000093600000000 ] - [ -0.0020052600000000, -0.0004113600000000, 0.0002104000000000 ] - [ 0.0000276600000000, -0.0003776400000000, 0.0003570000000000 ] - [ 0.0007840400000000, 0.0006190900000000, 0.0007570900000000 ] - [ -0.0001858200000000, -0.0000155600000000, 0.0005610700000000 ] - [ -0.0009001100000000, 0.0016690200000000, -0.0008054200000000 ] - [ 0.0002878000000000, 0.0000457100000000, -0.0001191100000000 ] - [ -0.0006430000000000, 0.0002681300000000, -0.0003520000000000 ] - [ 0.0001038700000000, 0.0004904700000000, -0.0002404900000000 ] - [ -0.0004480900000000, 0.0009101700000000, 0.0002493500000000 ] - [ 0.0006480900000000, 0.0004577100000000, 0.0005566500000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000307200000000, 0.0033645100000000, -0.0025572400000000 ] - [ -0.0001963900000000, 0.0004173400000000, -0.0002452300000000 ] - [ 0.0003914200000000, 0.0013455600000000, -0.0000892600000000 ] - [ -0.0002243400000000, 0.0020921900000000, -0.0002327200000000 ] - [ -0.0001633700000000, 0.0038252600000000, 0.0020340000000000 ] - [ -0.0000074200000000, 0.0009253500000000, -0.0000883900000000 ] - [ 0.0006335600000000, -0.0008524700000000, 0.0002303300000000 ] - [ -0.0029085700000000, -0.0070116400000000, -0.0005689600000000 ] - [ -0.0006476700000000, 0.0019781800000000, 0.0004022500000000 ] - [ -0.0004565300000000, 0.0007286600000000, 0.0003729500000000 ] - [ 0.0017466400000000, -0.0012833100000000, 0.0003265700000000 ] - [ -0.0001567500000000, -0.0022141500000000, -0.0004655100000000 ] - [ -0.0010391200000000, 0.0009965400000000, -0.0000465300000000 ] - [ 0.0020635800000000, 0.0023264100000000, 0.0007314200000000 ] - [ 0.0001475900000000, 0.0022538500000000, -0.0004472000000000 ] - [ 0.0001835600000000, 0.0010373200000000, -0.0003636000000000 ] - [ -0.0028098500000000, -0.0152004800000000, 0.0094003800000000 ] - [ -0.0000712300000000, -0.0005492900000000, 0.0001152800000000 ] - [ 0.0011742500000000, -0.0093188300000000, -0.0033064200000000 ] - [ -0.0000514800000000, -0.0003887400000000, -0.0002087300000000 ] - [ -0.0004893800000000, 0.0005928500000000, -0.0000092600000000 ] - [ 0.0016067800000000, 0.0019656100000000, 0.0005343600000000 ] - [ 0.0004735800000000, 0.0015036300000000, 0.0003643100000000 ] - [ -0.0000327600000000, 0.0019118600000000, 0.0001959600000000 ] - [ 0.0000181100000000, -0.0028844000000000, -0.0004144400000000 ] - [ -0.0003894200000000, -0.0005707500000000, -0.0002091100000000 ] - [ 0.0013683200000000, 0.0002608400000000, 0.0004666200000000 ] - [ -0.0002971100000000, 0.0003107000000000, -0.0002778000000000 ] - [ -0.0096219300000000, -0.0240723900000000, -0.0015992600000000 ] - [ -0.0006617700000000, -0.0012900300000000, 0.0001056000000000 ] - [ 0.0000834700000000, 0.0003465600000000, -0.0002309000000000 ] - [ 0.0006737100000000, 0.0003476400000000, -0.0000653000000000 ] - [ -0.0003138100000000, -0.0024918400000000, 0.0000858700000000 ] - [ 0.0016993100000000, -0.0024586500000000, 0.0009767600000000 ] - [ -0.0006313800000000, 0.0015108800000000, 0.0005663300000000 ] - [ -0.0009571600000000, 0.0005950900000000, 0.0004982000000000 ] - [ -0.0016958200000000, 0.0013172900000000, -0.0008387200000000 ] - [ -0.0001106100000000, -0.0003616500000000, -0.0000553500000000 ] - [ 0.0016593200000000, 0.0005645300000000, 0.0002906000000000 ] - [ -0.0006285200000000, 0.0003560300000000, -0.0000606900000000 ] - [ -0.0011737000000000, -0.0031024800000000, -0.0010779400000000 ] - [ 0.0022255800000000, -0.0019277700000000, -0.0005031700000000 ] - [ -0.0001069200000000, 0.0010115600000000, 0.0000500900000000 ] - [ 0.0004487800000000, 0.0010982500000000, 0.0001770700000000 ] - [ -0.0018798000000000, 0.0026965700000000, -0.0001943200000000 ] - [ 0.0000970500000000, -0.0003333500000000, 0.0001648600000000 ] - [ -0.0005628200000000, 0.0007651700000000, -0.0002832600000000 ] - [ -0.0007981400000000, -0.0000041300000000, -0.0003789900000000 ] - [ -0.0007341100000000, -0.0002568000000000, -0.0001304100000000 ] - [ -0.0000912000000000, -0.0007488800000000, 0.0001836900000000 ] - [ -0.0006630400000000, 0.0013727300000000, 0.0000417100000000 ] - [ 0.0000407000000000, 0.0009573000000000, 0.0007257700000000 ] - [ 0.0030153200000000, -0.0140904700000000, 0.0002426600000000 ] - [ 0.0000550300000000, 0.0003362500000000, -0.0000115200000000 ] - [ 0.0005754900000000, -0.0003895700000000, 0.0005744900000000 ] - [ -0.0018309100000000, -0.0007773700000000, 0.0001424500000000 ] - [ -0.0001649800000000, -0.0016004200000000, -0.0000764500000000 ] - [ -0.0002684000000000, -0.0004715200000000, -0.0001212400000000 ] - [ -0.0016087200000000, -0.0011641000000000, -0.0051334900000000 ] - [ 0.0004185600000000, 0.0001264800000000, -0.0006065200000000 ] - [ 0.0004284100000000, 0.0006974300000000, 0.0000899200000000 ] - [ -0.0015296700000000, 0.0011969800000000, -0.0005013100000000 ] - [ -0.0005945600000000, -0.0003109200000000, 0.0001589000000000 ] - [ 0.0002185500000000, -0.0003042000000000, 0.0002596100000000 ] - [ 0.0004060400000000, 0.0036578300000000, 0.0001857600000000 ] - [ -0.0003751400000000, -0.0001253600000000, -0.0003266500000000 ] - [ -0.0004873700000000, -0.0028170100000000, 0.0009974000000000 ] - [ 0.0006223400000000, 0.0002314500000000, 0.0001060900000000 ] - [ 0.0001880700000000, -0.0006820500000000, -0.0001393800000000 ] - [ 0.0000728700000000, -0.0004200700000000, -0.0001588900000000 ] - [ -0.0004706300000000, -0.0006452500000000, 0.0001775000000000 ] - [ -0.0004727500000000, -0.0001978000000000, 0.0001986700000000 ] - [ -0.0000829000000000, -0.0004653000000000, 0.0000292200000000 ] - [ 0.0003757600000000, -0.0002110300000000, 0.0001585100000000 ] - [ -0.0018409100000000, -0.0015981600000000, -0.0007374200000000 ] - [ 0.0000862300000000, 0.0001686800000000, -0.0003942700000000 ] - [ 0.0001670600000000, -0.0006851600000000, -0.0002732700000000 ] - [ 0.0005584300000000, -0.0005101500000000, -0.0001432200000000 ] - [ 0.0000678800000000, -0.0012945300000000, -0.0000490000000000 ] - [ 0.0001057700000000, -0.0007157600000000, 0.0000108200000000 ] - [ -0.0006466700000000, 0.0007239800000000, -0.0000697300000000 ] - [ -0.0013185800000000, 0.0035313600000000, -0.0003159600000000 ] - [ -0.0000218100000000, 0.0009869100000000, 0.0005931500000000 ] - [ -0.0009568900000000, 0.0004818100000000, 0.0002530100000000 ] - [ -0.0030619200000000, 0.0028053700000000, -0.0004166800000000 ] - [ 0.0002772500000000, 0.0010309000000000, -0.0003553100000000 ] - [ 0.0004869300000000, -0.0011644600000000, 0.0003894900000000 ] - [ 0.0005010300000000, -0.0013747400000000, 0.0004421100000000 ] - [ 0.0179598500000000, 0.0722295400000000, -0.0070542300000000 ] - [ -0.0001163000000000, 0.0010466200000000, -0.0001801400000000 ] - [ -0.0009022500000000, -0.0050415400000000, -0.0009807300000000 ] - [ 0.0000235400000000, 0.0003434400000000, -0.0002366200000000 ] - [ -0.0012291300000000, -0.0001409800000000, -0.0002372100000000 ] - [ -0.0003397100000000, 0.0000244800000000, 0.0001367000000000 ] - [ 0.0001259400000000, -0.0001475400000000, 0.0000977000000000 ] - [ -0.0003054500000000, -0.0006328600000000, 0.0000430800000000 ] - [ 0.0012012100000000, -0.0009013600000000, -0.0002286600000000 ] - [ 0.0004536100000000, 0.0001004700000000, -0.0001143100000000 ] - [ -0.0001514000000000, -0.0006059000000000, 0.0006594400000000 ] - [ -0.0005253900000000, -0.0006256100000000, 0.0005774600000000 ] - [ 0.0000269300000000, -0.0006313200000000, 0.0000625100000000 ] - [ -0.0000748600000000, -0.0003441800000000, 0.0000273000000000 ] - [ 0.0001379000000000, 0.0000359000000000, 0.0001471400000000 ] - [ 0.0001158700000000, -0.0002298200000000, 0.0001017900000000 ] - [ 0.0003237800000000, 0.0008460300000000, -0.0002807900000000 ] - [ -0.0006051900000000, 0.0032758600000000, -0.0004749900000000 ] - [ 0.0004695400000000, -0.0005191700000000, -0.0004915700000000 ] - [ -0.0004871600000000, -0.0002540100000000, -0.0007868700000000 ] - [ -0.0003841800000000, 0.0000194100000000, 0.0000456000000000 ] - [ 0.0013965100000000, -0.0002667900000000, -0.0005748700000000 ] - [ 0.0003988500000000, 0.0007592700000000, 0.0002895600000000 ] - [ -0.0010551400000000, 0.0006576000000000, -0.0003163600000000 ] - [ 0.0006770400000000, -0.0010100700000000, -0.0002545200000000 ] - [ 0.0007624900000000, -0.0006560900000000, -0.0002630500000000 ] - [ -0.0001115700000000, -0.0000245700000000, -0.0002664500000000 ] - [ 0.0009806400000000, -0.0003190700000000, 0.0010369700000000 ] - [ -0.0053881900000000, -0.0030745900000000, 0.0078622100000000 ] - [ -0.0002647800000000, -0.0002199700000000, 0.0002371600000000 ] - [ 0.0004549400000000, -0.0009821300000000, -0.0001747100000000 ] - [ 0.0001814400000000, -0.0011993400000000, -0.0002599300000000 ] - [ -0.0000518700000000, -0.0020920800000000, -0.0003827700000000 ] - [ 0.0000088200000000, -0.0008538300000000, -0.0003845200000000 ] - [ 0.0002215000000000, 0.0003153500000000, 0.0003100800000000 ] - [ -0.0001633500000000, -0.0001497200000000, 0.0001616400000000 ] - [ 0.0044709400000000, -0.0020963600000000, 0.0003476000000000 ] - [ -0.0005008100000000, 0.0005216400000000, -0.0002208700000000 ] - [ -0.0001303100000000, -0.0001468500000000, 0.0002134900000000 ] - [ 0.0006492600000000, -0.0006314400000000, 0.0002352700000000 ] - [ -0.0000437000000000, -0.0005725900000000, -0.0001874200000000 ] - [ -0.0000321400000000, 0.0003025800000000, -0.0002088700000000 ] - [ -0.0002169600000000, -0.0013231100000000, 0.0001013600000000 ] - [ -0.0001836900000000, -0.0004264900000000, 0.0000996600000000 ] - [ 0.0002677500000000, -0.0009907100000000, 0.0000127000000000 ] - [ 0.0002932700000000, -0.0004542000000000, -0.0000125700000000 ] - [ 0.0013147900000000, 0.0002042000000000, 0.0002653600000000 ] - [ -0.0007232300000000, 0.0001702300000000, 0.0001170800000000 ] - [ -0.0005810200000000, -0.0005560900000000, 0.0005944200000000 ] - [ 0.0003870500000000, 0.0000801900000000, 0.0007897400000000 ] - [ 0.0011102500000000, -0.0013755300000000, 0.0004707500000000 ] - [ -0.0000817300000000, 0.0002528700000000, -0.0002189300000000 ] - [ 0.0005996400000000, 0.0009496200000000, -0.0002058600000000 ] - [ -0.0001452900000000, 0.0007325500000000, -0.0003183600000000 ] - [ 0.0009277100000000, -0.0006201000000000, 0.0006546000000000 ] - [ -0.0001729500000000, -0.0001661000000000, 0.0003460700000000 ]- atom: 89 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0007713000000000, 0.0021251300000000, -0.0003802000000000 ] - [ -0.0002029900000000, 0.0003236300000000, -0.0002557900000000 ] - [ 0.0001414800000000, 0.0004351100000000, -0.0001246600000000 ] - [ 0.0000661700000000, 0.0004606800000000, -0.0000626800000000 ] - [ 0.0002188100000000, -0.0001654600000000, -0.0001556100000000 ] - [ 0.0000364000000000, 0.0007342600000000, -0.0000792400000000 ] - [ 0.0003138100000000, 0.0003599100000000, 0.0003681900000000 ] - [ -0.0017078000000000, 0.0003286100000000, 0.0059903100000000 ] - [ -0.0005702000000000, -0.0000120900000000, 0.0003296600000000 ] - [ -0.0005060800000000, 0.0000365700000000, 0.0003656200000000 ] - [ -0.0002186100000000, -0.0000903300000000, -0.0004152700000000 ] - [ 0.0011676400000000, -0.0002608800000000, -0.0026426300000000 ] - [ 0.0001026700000000, 0.0005764200000000, 0.0000971500000000 ] - [ -0.0001948700000000, 0.0007744400000000, 0.0008046600000000 ] - [ 0.0001924800000000, 0.0004966400000000, -0.0003450400000000 ] - [ 0.0002221400000000, 0.0003267500000000, -0.0003493200000000 ] - [ -0.0045995300000000, -0.0090921200000000, 0.0130066700000000 ] - [ -0.0000267500000000, 0.0003258400000000, 0.0001361200000000 ] - [ -0.0023533500000000, 0.0032152500000000, 0.0062364500000000 ] - [ -0.0001620700000000, 0.0004769800000000, -0.0001931600000000 ] - [ 0.0000924000000000, 0.0003488600000000, 0.0002315800000000 ] - [ 0.0004826700000000, 0.0005235200000000, -0.0003938700000000 ] - [ 0.0001910400000000, 0.0005280100000000, 0.0002583000000000 ] - [ 0.0001837600000000, 0.0006007300000000, 0.0001812900000000 ] - [ 0.0012886900000000, -0.0005689100000000, -0.0049623300000000 ] - [ -0.0003138300000000, 0.0000777900000000, -0.0001770100000000 ] - [ 0.0006605100000000, -0.0003166600000000, -0.0000100300000000 ] - [ 0.0003286100000000, -0.0001926000000000, 0.0001038700000000 ] - [ -0.0039128400000000, -0.0020856900000000, 0.0094783700000000 ] - [ -0.0002098200000000, -0.0008043100000000, 0.0001564700000000 ] - [ 0.0003592100000000, -0.0006615100000000, -0.0001036300000000 ] - [ 0.0004216000000000, -0.0005742900000000, -0.0001175400000000 ] - [ 0.0010275900000000, -0.0006040500000000, -0.0004387200000000 ] - [ -0.0009770700000000, -0.0014859500000000, -0.0000137700000000 ] - [ -0.0008615700000000, 0.0000057200000000, 0.0005647100000000 ] - [ -0.0008542600000000, -0.0000467000000000, 0.0005295700000000 ] - [ -0.0004283500000000, -0.0004325500000000, -0.0014172700000000 ] - [ -0.0005164000000000, -0.0003999900000000, -0.0001864900000000 ] - [ 0.0003297700000000, -0.0002841500000000, 0.0001593900000000 ] - [ 0.0003501500000000, -0.0004471700000000, -0.0000633400000000 ] - [ 0.0007659700000000, -0.0002165800000000, 0.0005805400000000 ] - [ 0.0026617800000000, 0.0004549500000000, 0.0002696100000000 ] - [ 0.0001372200000000, 0.0000807200000000, 0.0000582500000000 ] - [ 0.0001599900000000, 0.0000682300000000, 0.0000936800000000 ] - [ -0.0007632700000000, -0.0005147100000000, 0.0011987500000000 ] - [ -0.0001507000000000, -0.0002966300000000, 0.0001155700000000 ] - [ -0.0006787900000000, -0.0005905400000000, -0.0003969300000000 ] - [ -0.0007141600000000, -0.0006480400000000, -0.0003632000000000 ] - [ -0.0005729500000000, 0.0000238700000000, -0.0000601400000000 ] - [ -0.0004183300000000, -0.0001422400000000, -0.0000335800000000 ] - [ -0.0005883200000000, 0.0000637900000000, 0.0009070400000000 ] - [ 0.0003218000000000, -0.0002287200000000, 0.0001215500000000 ] - [ 0.0006426000000000, 0.0011064900000000, -0.0027999300000000 ] - [ 0.0000643500000000, 0.0001724900000000, -0.0000257700000000 ] - [ -0.0000308600000000, -0.0005856200000000, 0.0002545200000000 ] - [ -0.0012998000000000, -0.0015985200000000, 0.0000194700000000 ] - [ -0.0001617800000000, -0.0002816100000000, -0.0002815800000000 ] - [ -0.0002234000000000, -0.0002353100000000, -0.0001315000000000 ] - [ 0.0024383300000000, 0.0031681400000000, 0.0020365500000000 ] - [ 0.0002817500000000, -0.0001082500000000, -0.0005619900000000 ] - [ -0.0003309000000000, -0.0002887000000000, -0.0000163600000000 ] - [ 0.0003516900000000, -0.0001939600000000, -0.0012133400000000 ] - [ -0.0001680800000000, 0.0000711900000000, 0.0001505800000000 ] - [ -0.0000694600000000, 0.0001296100000000, 0.0000910900000000 ] - [ -0.0014592000000000, -0.0004124300000000, 0.0046706200000000 ] - [ -0.0003843200000000, -0.0006043000000000, -0.0003425400000000 ] - [ -0.0003071500000000, 0.0003276000000000, 0.0054637200000000 ] - [ 0.0005710500000000, 0.0000459700000000, 0.0000856600000000 ] - [ 0.0001729200000000, -0.0000536400000000, -0.0001077500000000 ] - [ 0.0001626100000000, -0.0000335800000000, -0.0001299300000000 ] - [ -0.0003969000000000, 0.0001250000000000, 0.0002521800000000 ] - [ -0.0003961900000000, 0.0001591000000000, 0.0002328500000000 ] - [ 0.0001242300000000, 0.0001820700000000, 0.0000974300000000 ] - [ 0.0001308100000000, 0.0002027400000000, 0.0001363900000000 ] - [ -0.0001745400000000, -0.0000904500000000, -0.0011698700000000 ] - [ -0.0002769600000000, 0.0001797400000000, -0.0004650000000000 ] - [ 0.0003177800000000, -0.0001354100000000, -0.0002060900000000 ] - [ 0.0003752600000000, -0.0001397600000000, -0.0002224100000000 ] - [ 0.0000690000000000, -0.0003773500000000, 0.0000008300000000 ] - [ 0.0000631500000000, -0.0003663300000000, 0.0000027700000000 ] - [ -0.0004494500000000, -0.0000141300000000, -0.0001903900000000 ] - [ -0.0072026100000000, 0.0001714800000000, 0.0021473100000000 ] - [ 0.0000860100000000, -0.0004111100000000, 0.0005616600000000 ] - [ -0.0010158400000000, -0.0002595400000000, 0.0011809900000000 ] - [ -0.0010294800000000, -0.0001397800000000, -0.0022481300000000 ] - [ -0.0004265600000000, 0.0003610900000000, -0.0004100400000000 ] - [ 0.0004278100000000, -0.0006548000000000, 0.0003689700000000 ] - [ 0.0004364600000000, -0.0006765000000000, 0.0003643800000000 ] - [ 0.0193697500000000, 0.0123651000000000, -0.0479539000000000 ] - [ -0.0001974700000000, 0.0005657500000000, -0.0001760100000000 ] - [ 0.0006875800000000, 0.0005820700000000, -0.0025764800000000 ] - [ -0.0001453900000000, 0.0001632000000000, -0.0002748100000000 ] - [ -0.0005606200000000, 0.0003609800000000, 0.0000794400000000 ] - [ -0.0006696800000000, 0.0001793900000000, 0.0001579600000000 ] - [ -0.0001088300000000, 0.0001881000000000, -0.0000053000000000 ] - [ -0.0001408300000000, 0.0000534000000000, -0.0000153200000000 ] - [ 0.0006004800000000, 0.0005673800000000, -0.0000337900000000 ] - [ 0.0006532700000000, 0.0001706400000000, -0.0001024400000000 ] - [ -0.0003229500000000, -0.0001202500000000, 0.0006373500000000 ] - [ -0.0003201300000000, -0.0001575900000000, 0.0006033200000000 ] - [ 0.0000460500000000, 0.0000430800000000, 0.0000396500000000 ] - [ 0.0000166000000000, 0.0000445400000000, 0.0000496300000000 ] - [ 0.0001071400000000, 0.0005260800000000, 0.0001494100000000 ] - [ 0.0001039800000000, 0.0004868900000000, 0.0001531500000000 ] - [ 0.0003554400000000, 0.0001999500000000, -0.0000932500000000 ] - [ 0.0041959800000000, 0.0000782100000000, 0.0047603600000000 ] - [ -0.0000650700000000, 0.0000213700000000, -0.0005067700000000 ] - [ -0.0000938400000000, 0.0000871100000000, -0.0006646600000000 ] - [ 0.0001652000000000, -0.0002793400000000, -0.0000446600000000 ] - [ -0.0000041500000000, -0.0000301000000000, -0.0001150500000000 ] - [ -0.0000563200000000, 0.0005593300000000, 0.0003176500000000 ] - [ 0.0004877300000000, 0.0013172800000000, 0.0004462500000000 ] - [ 0.0006973600000000, -0.0003414000000000, -0.0002838700000000 ] - [ 0.0007026700000000, -0.0003150900000000, -0.0002870500000000 ] - [ 0.0001399900000000, -0.0002066900000000, -0.0000169100000000 ] - [ 0.0005763600000000, -0.0004849800000000, -0.0000135400000000 ] - [ -0.0058587000000000, -0.0085134600000000, 0.0069396000000000 ] - [ -0.0003374900000000, -0.0005021800000000, 0.0001552500000000 ] - [ 0.0003677500000000, -0.0005402700000000, -0.0002172100000000 ] - [ 0.0003326500000000, -0.0005695200000000, -0.0001932900000000 ] - [ 0.0000675100000000, -0.0006838100000000, -0.0005352000000000 ] - [ 0.0000059500000000, -0.0006203100000000, -0.0003777100000000 ] - [ 0.0000190300000000, 0.0006122700000000, 0.0002955100000000 ] - [ 0.0000386900000000, 0.0006131000000000, 0.0002925200000000 ] - [ -0.0004451200000000, 0.0011077400000000, -0.0020791400000000 ] - [ -0.0003183700000000, 0.0001924700000000, -0.0002471900000000 ] - [ 0.0000794500000000, 0.0001400100000000, 0.0002361400000000 ] - [ 0.0000458300000000, 0.0002012700000000, 0.0002626500000000 ] - [ -0.0000700900000000, 0.0004518800000000, -0.0000361900000000 ] - [ -0.0000118800000000, 0.0005365100000000, -0.0002090400000000 ] - [ -0.0002372000000000, -0.0002887400000000, 0.0002488600000000 ] - [ -0.0001971200000000, -0.0002090400000000, 0.0001124600000000 ] - [ 0.0003899600000000, -0.0001170300000000, -0.0000300400000000 ] - [ 0.0003730900000000, -0.0000900300000000, -0.0000132700000000 ] - [ -0.0014811600000000, 0.0003179200000000, 0.0013193700000000 ] - [ -0.0002290900000000, -0.0000546600000000, 0.0002275100000000 ] - [ -0.0003792000000000, -0.0002556300000000, 0.0014781600000000 ] - [ 0.0001661900000000, 0.0000039400000000, 0.0006979800000000 ] - [ 0.0012130500000000, -0.0014248200000000, -0.0000044500000000 ] - [ 0.0000594200000000, 0.0001546500000000, -0.0001344500000000 ] - [ -0.0002039700000000, 0.0007544300000000, 0.0009223100000000 ] - [ 0.0000373700000000, 0.0006395000000000, -0.0002738300000000 ] - [ 0.0003434700000000, 0.0001532300000000, 0.0003120300000000 ] - [ 0.0001472100000000, 0.0000149600000000, 0.0004230600000000 ]- atom: 89 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ 0.0003732200000000, -0.0014808700000000, -0.0001508300000000 ] - [ -0.0002053600000000, 0.0003160100000000, -0.0002580300000000 ] - [ 0.0000699900000000, 0.0003175700000000, -0.0001401400000000 ] - [ 0.0001438300000000, 0.0002963300000000, -0.0002024000000000 ] - [ -0.0001563200000000, 0.0016325900000000, 0.0000300500000000 ] - [ 0.0000259000000000, 0.0007225000000000, -0.0000642300000000 ] - [ -0.0007158600000000, 0.0002264800000000, 0.0003174600000000 ] - [ 0.0012554600000000, 0.0002561000000000, -0.0053118200000000 ] - [ -0.0004779100000000, 0.0000263000000000, 0.0003698300000000 ] - [ -0.0005413000000000, -0.0000293600000000, 0.0003358400000000 ] - [ 0.0012690000000000, 0.0000925100000000, -0.0002780500000000 ] - [ -0.0001123500000000, 0.0002471200000000, 0.0019424900000000 ] - [ -0.0001689500000000, 0.0008771300000000, 0.0000401800000000 ] - [ 0.0001373900000000, 0.0006806600000000, -0.0006604000000000 ] - [ 0.0002165200000000, 0.0001020000000000, -0.0003484600000000 ] - [ 0.0001881100000000, 0.0002650000000000, -0.0003451800000000 ] - [ 0.0041904400000000, 0.0091699600000000, -0.0121746500000000 ] - [ -0.0001814100000000, 0.0004173700000000, 0.0001270300000000 ] - [ 0.0021816800000000, -0.0026721800000000, -0.0073226100000000 ] - [ -0.0002151500000000, 0.0005411000000000, -0.0003245900000000 ] - [ 0.0003106500000000, 0.0002893200000000, 0.0002805900000000 ] - [ -0.0000597400000000, 0.0001302300000000, 0.0009078400000000 ] - [ 0.0001865600000000, 0.0004991600000000, 0.0002577800000000 ] - [ 0.0001930600000000, 0.0004288900000000, 0.0003344800000000 ] - [ -0.0016027900000000, 0.0006193600000000, 0.0047744300000000 ] - [ 0.0000091500000000, -0.0000044500000000, -0.0000131200000000 ] - [ 0.0003199400000000, -0.0003905700000000, 0.0003492600000000 ] - [ 0.0006486800000000, -0.0005110200000000, 0.0002316400000000 ] - [ 0.0031130700000000, 0.0006445300000000, -0.0092094300000000 ] - [ -0.0005639000000000, -0.0005908100000000, 0.0001007300000000 ] - [ 0.0004134700000000, -0.0007281000000000, -0.0001583800000000 ] - [ 0.0003547700000000, -0.0008134700000000, -0.0001430700000000 ] - [ 0.0003633400000000, -0.0007762100000000, 0.0011521900000000 ] - [ 0.0023954300000000, 0.0001068700000000, 0.0007197200000000 ] - [ -0.0008610800000000, -0.0001553700000000, 0.0004868500000000 ] - [ -0.0008695400000000, -0.0001064400000000, 0.0005219800000000 ] - [ -0.0005646800000000, -0.0002566100000000, 0.0010734300000000 ] - [ -0.0004586200000000, -0.0003116200000000, -0.0001501800000000 ] - [ 0.0002668500000000, -0.0003929300000000, -0.0002989300000000 ] - [ 0.0002359700000000, -0.0002303300000000, -0.0000760600000000 ] - [ 0.0009714400000000, 0.0000333000000000, -0.0016339700000000 ] - [ -0.0009291200000000, -0.0006292600000000, -0.0013144800000000 ] - [ 0.0001609300000000, 0.0000029600000000, 0.0001334500000000 ] - [ 0.0001428200000000, 0.0000150100000000, 0.0000981800000000 ] - [ 0.0001611700000000, -0.0001761900000000, -0.0010460000000000 ] - [ -0.0004418900000000, -0.0003923800000000, 0.0000349800000000 ] - [ -0.0007267200000000, -0.0007740400000000, -0.0003302500000000 ] - [ -0.0006917300000000, -0.0007194400000000, -0.0003637000000000 ] - [ -0.0005462500000000, 0.0000405500000000, -0.0001036800000000 ] - [ -0.0007003700000000, 0.0002044900000000, -0.0001292100000000 ] - [ 0.0002581200000000, -0.0000914400000000, -0.0006491500000000 ] - [ -0.0006577400000000, 0.0002020300000000, 0.0001434600000000 ] - [ -0.0003976600000000, -0.0008176600000000, 0.0027732300000000 ] - [ 0.0001673200000000, 0.0002017700000000, 0.0000035000000000 ] - [ 0.0000006200000000, -0.0006341100000000, 0.0004940700000000 ] - [ 0.0012544700000000, 0.0003749900000000, 0.0007189100000000 ] - [ -0.0002294300000000, -0.0001571900000000, 0.0000328700000000 ] - [ -0.0001681800000000, -0.0002007500000000, -0.0001167200000000 ] - [ -0.0017926600000000, -0.0034005000000000, -0.0033268000000000 ] - [ 0.0003441500000000, -0.0001467100000000, -0.0007172200000000 ] - [ 0.0002020800000000, -0.0004033000000000, 0.0000232700000000 ] - [ -0.0004692900000000, -0.0004888700000000, 0.0012169100000000 ] - [ -0.0000399000000000, 0.0002232400000000, 0.0001873400000000 ] - [ -0.0001355100000000, 0.0001632000000000, 0.0002463400000000 ] - [ 0.0006086200000000, -0.0008382500000000, -0.0053855500000000 ] - [ -0.0004706900000000, -0.0006630400000000, -0.0003799000000000 ] - [ 0.0014138200000000, -0.0002976000000000, -0.0053078000000000 ] - [ 0.0005485500000000, 0.0000214000000000, 0.0000761400000000 ] - [ 0.0001638800000000, 0.0000177300000000, -0.0001499800000000 ] - [ 0.0001727500000000, -0.0000009400000000, -0.0001280800000000 ] - [ -0.0003878300000000, 0.0002206200000000, 0.0002169000000000 ] - [ -0.0003882900000000, 0.0001889800000000, 0.0002364700000000 ] - [ 0.0001400300000000, 0.0002364400000000, 0.0001692700000000 ] - [ 0.0001352500000000, 0.0002167700000000, 0.0001300300000000 ] - [ -0.0003116600000000, 0.0003705300000000, 0.0002661800000000 ] - [ -0.0001984900000000, 0.0001113200000000, -0.0004391600000000 ] - [ 0.0003784900000000, -0.0000779200000000, -0.0002690700000000 ] - [ 0.0003217200000000, -0.0000738600000000, -0.0002521200000000 ] - [ 0.0000600800000000, -0.0003240100000000, -0.0000046200000000 ] - [ 0.0000655500000000, -0.0003327100000000, -0.0000056400000000 ] - [ -0.0003264300000000, -0.0001235000000000, 0.0002091900000000 ] - [ 0.0063491700000000, -0.0003049400000000, -0.0021202500000000 ] - [ -0.0014811500000000, -0.0001783600000000, -0.0000067200000000 ] - [ -0.0003907600000000, -0.0003329100000000, -0.0006197500000000 ] - [ 0.0009095400000000, 0.0002925700000000, 0.0021427200000000 ] - [ 0.0003619500000000, -0.0002024300000000, 0.0002958500000000 ] - [ 0.0004287100000000, -0.0006167700000000, 0.0003517200000000 ] - [ 0.0004196300000000, -0.0005964300000000, 0.0003565300000000 ] - [ -0.0194993800000000, -0.0101490900000000, 0.0478699900000000 ] - [ -0.0000152200000000, 0.0005261400000000, -0.0001399400000000 ] - [ -0.0008506600000000, -0.0002591600000000, 0.0020528200000000 ] - [ -0.0000159800000000, 0.0001469200000000, -0.0002484700000000 ] - [ -0.0007694700000000, -0.0000127200000000, 0.0000310200000000 ] - [ -0.0006584700000000, 0.0001692100000000, -0.0000454200000000 ] - [ -0.0001222400000000, 0.0001855300000000, 0.0000256400000000 ] - [ -0.0000921300000000, 0.0003170000000000, 0.0000335900000000 ] - [ 0.0007324000000000, -0.0002247600000000, -0.0000738700000000 ] - [ 0.0006752800000000, 0.0001788900000000, -0.0000124700000000 ] - [ -0.0003015800000000, -0.0001378000000000, 0.0006407900000000 ] - [ -0.0003066100000000, -0.0001003400000000, 0.0006736700000000 ] - [ 0.0000223700000000, 0.0001062900000000, 0.0000669800000000 ] - [ 0.0000505000000000, 0.0001053900000000, 0.0000565600000000 ] - [ 0.0001054500000000, 0.0005613000000000, 0.0001643000000000 ] - [ 0.0001081700000000, 0.0005989400000000, 0.0001601800000000 ] - [ 0.0004311500000000, 0.0001520900000000, -0.0003782200000000 ] - [ -0.0034676700000000, 0.0002800100000000, -0.0052778600000000 ] - [ -0.0001310100000000, 0.0000405500000000, -0.0008434700000000 ] - [ -0.0001102200000000, -0.0000222900000000, -0.0006869600000000 ] - [ 0.0002228500000000, -0.0001579300000000, 0.0002896100000000 ] - [ 0.0004033800000000, -0.0004083300000000, 0.0003494600000000 ] - [ 0.0000963400000000, 0.0005390500000000, 0.0001032200000000 ] - [ -0.0004623200000000, -0.0002201300000000, -0.0000228100000000 ] - [ 0.0007039200000000, -0.0002570600000000, -0.0002798000000000 ] - [ 0.0006985800000000, -0.0002816900000000, -0.0002770800000000 ] - [ 0.0002548000000000, -0.0001941900000000, -0.0002128000000000 ] - [ -0.0001820700000000, 0.0000811000000000, -0.0002044700000000 ] - [ 0.0052316400000000, 0.0076107500000000, -0.0065608000000000 ] - [ -0.0003680700000000, -0.0005350600000000, 0.0002820100000000 ] - [ 0.0003403400000000, -0.0004993800000000, -0.0002217900000000 ] - [ 0.0003731300000000, -0.0004724800000000, -0.0002459800000000 ] - [ -0.0000369000000000, -0.0005460700000000, -0.0002154200000000 ] - [ 0.0000256400000000, -0.0006037900000000, -0.0003735000000000 ] - [ 0.0000232000000000, 0.0006104200000000, 0.0002624500000000 ] - [ 0.0000007700000000, 0.0006070900000000, 0.0002661600000000 ] - [ 0.0001726600000000, -0.0006597000000000, 0.0018200800000000 ] - [ 0.0000549200000000, 0.0002317800000000, -0.0000242700000000 ] - [ 0.0000813200000000, 0.0001666300000000, 0.0002856200000000 ] - [ 0.0001173400000000, 0.0001028500000000, 0.0002582600000000 ] - [ 0.0000340800000000, 0.0006420500000000, -0.0003856400000000 ] - [ -0.0000241000000000, 0.0005596500000000, -0.0002123300000000 ] - [ -0.0001574900000000, -0.0001216900000000, -0.0000209100000000 ] - [ -0.0001980800000000, -0.0001927300000000, 0.0001148500000000 ] - [ 0.0003818700000000, -0.0000288200000000, 0.0000075000000000 ] - [ 0.0003990600000000, -0.0000533600000000, -0.0000092900000000 ] - [ 0.0008068300000000, -0.0005305400000000, -0.0008452900000000 ] - [ -0.0004690000000000, -0.0001540100000000, 0.0002466200000000 ] - [ 0.0005819700000000, 0.0003251200000000, -0.0001300100000000 ] - [ 0.0000370700000000, 0.0000616700000000, 0.0006534900000000 ] - [ -0.0009873300000000, 0.0017053500000000, -0.0003396600000000 ] - [ 0.0001457000000000, 0.0001426900000000, -0.0002045700000000 ] - [ 0.0001620000000000, 0.0004770900000000, -0.0014846400000000 ] - [ -0.0000786700000000, 0.0005844700000000, -0.0002857300000000 ] - [ 0.0001366100000000, 0.0001361800000000, 0.0005901400000000 ] - [ 0.0003267200000000, 0.0002737800000000, 0.0004775400000000 ]- atom: 91 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ 0.0003198100000000, 0.0000553000000000, -0.0001160300000000 ] - [ -0.0006397700000000, 0.0002913300000000, -0.0003655500000000 ] - [ -0.0002902500000000, 0.0004488700000000, -0.0002325200000000 ] - [ 0.0005793400000000, -0.0000219600000000, -0.0000097000000000 ] - [ 0.0004558400000000, 0.0005397400000000, 0.0000388400000000 ] - [ -0.0003549900000000, 0.0006881700000000, -0.0001808100000000 ] - [ -0.0011671100000000, -0.0004371800000000, 0.0002415400000000 ] - [ 0.0009673000000000, 0.0019359400000000, 0.0004559000000000 ] - [ 0.0012391300000000, 0.0017924500000000, 0.0013661000000000 ] - [ -0.0018847400000000, -0.0004805200000000, -0.0000276700000000 ] - [ -0.0000514500000000, -0.0007207800000000, -0.0006526700000000 ] - [ 0.0009818300000000, 0.0007323300000000, -0.0000431400000000 ] - [ -0.0026234000000000, 0.0013243800000000, 0.0000433200000000 ] - [ 0.0123070800000000, 0.0025197200000000, 0.0014944300000000 ] - [ 0.0021631100000000, 0.0005145900000000, -0.0002418200000000 ] - [ -0.0008661900000000, 0.0002114100000000, -0.0006082200000000 ] - [ 0.0067419700000000, 0.0000902900000000, 0.0011706300000000 ] - [ -0.0019109200000000, 0.0006348900000000, -0.0003792900000000 ] - [ 0.0078483000000000, 0.0012363200000000, 0.0008360500000000 ] - [ -0.0020438000000000, 0.0009823700000000, -0.0007317200000000 ] - [ -0.0015860600000000, 0.0007242800000000, -0.0006601900000000 ] - [ 0.0020834500000000, -0.0009945300000000, 0.0014591700000000 ] - [ -0.0001786400000000, 0.0006433600000000, 0.0001483700000000 ] - [ 0.0005806700000000, 0.0000857400000000, 0.0003683500000000 ] - [ 0.0002104000000000, -0.0006934800000000, 0.0001465100000000 ] - [ -0.0007425500000000, 0.0003606200000000, -0.0002744900000000 ] - [ 0.0004018500000000, -0.0005313300000000, 0.0001332400000000 ] - [ 0.0005361500000000, -0.0003280100000000, 0.0001927900000000 ] - [ 0.0003211800000000, -0.0016532800000000, 0.0001119500000000 ] - [ -0.0010573200000000, -0.0003727700000000, -0.0000121900000000 ] - [ -0.0003365800000000, 0.0005861400000000, -0.0004015900000000 ] - [ -0.0000041200000000, -0.0024281100000000, 0.0004340900000000 ] - [ -0.0003783200000000, -0.0013606600000000, 0.0002904500000000 ] - [ 0.0002298000000000, 0.0015928000000000, -0.0011397100000000 ] - [ -0.0005446600000000, 0.0002055000000000, 0.0005791800000000 ] - [ -0.0012284800000000, -0.0004239300000000, 0.0004689800000000 ] - [ 0.0005523600000000, 0.0001930900000000, 0.0013103400000000 ] - [ -0.0023242900000000, -0.0003240400000000, -0.0011247700000000 ] - [ 0.0002007200000000, -0.0005659800000000, -0.0000867900000000 ] - [ 0.0003320200000000, -0.0002781900000000, -0.0000642100000000 ] - [ -0.0026141900000000, -0.0025393400000000, -0.0022703100000000 ] - [ -0.0009652900000000, 0.0024419900000000, 0.0002478000000000 ] - [ -0.0003787600000000, 0.0008658900000000, 0.0000909400000000 ] - [ 0.0002372600000000, -0.0015418200000000, -0.0005131100000000 ] - [ 0.0209719800000000, -0.0056892400000000, 0.0039027300000000 ] - [ -0.0024044800000000, -0.0002830800000000, -0.0000540700000000 ] - [ -0.0004163100000000, -0.0004828200000000, -0.0002448400000000 ] - [ -0.0010462500000000, -0.0010204000000000, -0.0004981200000000 ] - [ -0.0004040300000000, 0.0000433000000000, -0.0000348300000000 ] - [ -0.0007507800000000, 0.0001386800000000, -0.0001400400000000 ] - [ -0.0000530200000000, 0.0004560600000000, 0.0000956000000000 ] - [ -0.0000454900000000, -0.0006324700000000, 0.0003631100000000 ] - [ -0.0003465200000000, 0.0002430600000000, -0.0001137000000000 ] - [ 0.0004525600000000, 0.0002637400000000, 0.0000863200000000 ] - [ 0.0014893500000000, -0.0007740100000000, 0.0009610400000000 ] - [ 0.0044005900000000, -0.0021465800000000, -0.0045926100000000 ] - [ -0.0021890400000000, -0.0041994200000000, 0.0003830900000000 ] - [ 0.0005139600000000, 0.0000137700000000, -0.0000844200000000 ] - [ 0.0001048100000000, 0.0001992400000000, -0.0006420400000000 ] - [ 0.0005586800000000, -0.0003046000000000, -0.0005831100000000 ] - [ 0.0011960400000000, 0.0002971200000000, -0.0003580300000000 ] - [ 0.0019873600000000, -0.0034871200000000, 0.0007810100000000 ] - [ -0.0000445500000000, 0.0002336200000000, 0.0001731500000000 ] - [ -0.0001290800000000, 0.0001456400000000, 0.0001702500000000 ] - [ -0.0002063400000000, -0.0000785400000000, -0.0024690400000000 ] - [ -0.0000079600000000, -0.0007481800000000, -0.0001539600000000 ] - [ -0.0014833000000000, -0.0002851600000000, -0.0016256200000000 ] - [ 0.0015033200000000, 0.0000434100000000, 0.0004671600000000 ] - [ -0.0000330600000000, -0.0003599600000000, -0.0002819000000000 ] - [ 0.0005656900000000, 0.0003976100000000, 0.0001082100000000 ] - [ -0.0008541100000000, 0.0000516500000000, 0.0000414100000000 ] - [ -0.0000279500000000, 0.0002839700000000, 0.0003781700000000 ] - [ 0.0001508400000000, 0.0001692700000000, 0.0001520600000000 ] - [ 0.0001383800000000, 0.0003365300000000, 0.0001278300000000 ] - [ -0.0003597700000000, 0.0003597500000000, -0.0004712700000000 ] - [ -0.0000938400000000, 0.0000746200000000, -0.0004048600000000 ] - [ 0.0003489600000000, -0.0001233900000000, -0.0002467800000000 ] - [ 0.0003681000000000, 0.0000112600000000, -0.0002248300000000 ] - [ -0.0001028200000000, -0.0004052400000000, -0.0000287400000000 ] - [ 0.0002330700000000, -0.0002328200000000, 0.0000419300000000 ] - [ 0.0003688000000000, 0.0001774700000000, 0.0002578800000000 ] - [ -0.0011267500000000, -0.0009917700000000, -0.0006129900000000 ] - [ -0.0003025500000000, 0.0004291700000000, 0.0011527900000000 ] - [ -0.0003933600000000, -0.0011187000000000, 0.0002180900000000 ] - [ 0.0001470100000000, 0.0012965500000000, 0.0000467800000000 ] - [ 0.0003790100000000, -0.0006229300000000, -0.0001273400000000 ] - [ 0.0006266300000000, -0.0008631900000000, 0.0004122800000000 ] - [ 0.0001873200000000, -0.0000984300000000, 0.0003324900000000 ] - [ -0.0019725300000000, 0.0013421900000000, 0.0001452500000000 ] - [ 0.0004609700000000, 0.0004423100000000, -0.0000735500000000 ] - [ -0.0714563600000000, 0.0024268300000000, -0.0116066700000000 ] - [ 0.0010647400000000, 0.0001722600000000, -0.0000741700000000 ] - [ -0.0006442700000000, 0.0003049300000000, 0.0000779900000000 ] - [ -0.0006648100000000, 0.0001176900000000, 0.0000457400000000 ] - [ 0.0007291900000000, -0.0002219800000000, 0.0002732800000000 ] - [ -0.0008901300000000, 0.0023771500000000, -0.0015796400000000 ] - [ 0.0048886900000000, -0.0042174900000000, -0.0045849200000000 ] - [ 0.0020110000000000, 0.0003227000000000, 0.0003172200000000 ] - [ 0.0000495900000000, -0.0007605600000000, 0.0005990600000000 ] - [ 0.0003777100000000, 0.0016445000000000, 0.0008351900000000 ] - [ -0.0001324000000000, -0.0004352500000000, 0.0000991400000000 ] - [ 0.0004645400000000, 0.0005075300000000, 0.0000389700000000 ] - [ 0.0004220500000000, 0.0003336700000000, 0.0002402700000000 ] - [ -0.0002665600000000, 0.0011139300000000, 0.0000215800000000 ] - [ 0.0010847600000000, 0.0002731300000000, -0.0000771000000000 ] - [ -0.0013632600000000, -0.0001281100000000, -0.0003553400000000 ] - [ 0.0007381900000000, -0.0006265800000000, -0.0007210200000000 ] - [ 0.0004976600000000, 0.0007187000000000, 0.0005866400000000 ] - [ 0.0003415900000000, 0.0000539200000000, 0.0001699600000000 ] - [ 0.0001168900000000, -0.0004694300000000, 0.0000531000000000 ] - [ 0.0007569300000000, 0.0005144100000000, 0.0003013100000000 ] - [ 0.0004140400000000, -0.0006014400000000, 0.0055515700000000 ] - [ 0.0006077000000000, -0.0004654600000000, -0.0003279900000000 ] - [ 0.0008666500000000, -0.0000882400000000, -0.0002357200000000 ] - [ 0.0003863600000000, 0.0000080000000000, -0.0000696000000000 ] - [ -0.0000250400000000, -0.0003929000000000, -0.0001267900000000 ] - [ -0.0006155400000000, 0.0000544900000000, 0.0001087500000000 ] - [ -0.0000749100000000, -0.0006625500000000, 0.0002926400000000 ] - [ 0.0006128200000000, -0.0009238000000000, -0.0000368400000000 ] - [ 0.0003350800000000, 0.0001456500000000, -0.0002855000000000 ] - [ -0.0001900900000000, -0.0005835800000000, -0.0004218600000000 ] - [ 0.0001980100000000, -0.0005468100000000, -0.0003244600000000 ] - [ 0.0007998200000000, 0.0002977300000000, 0.0004105100000000 ] - [ -0.0018575000000000, 0.0022460500000000, 0.0009941300000000 ] - [ 0.0176865700000000, 0.0085581900000000, 0.0038218500000000 ] - [ 0.0011430000000000, -0.0000810900000000, 0.0000561100000000 ] - [ 0.0002637500000000, 0.0001782700000000, 0.0003077300000000 ] - [ -0.0001284400000000, 0.0002358100000000, 0.0002077500000000 ] - [ -0.0001811800000000, 0.0005769200000000, -0.0002593700000000 ] - [ 0.0001417800000000, 0.0006221400000000, -0.0001714900000000 ] - [ -0.0016601700000000, -0.0007367800000000, -0.0007018100000000 ] - [ 0.0005845600000000, -0.0001141600000000, 0.0004460900000000 ] - [ -0.0001317400000000, -0.0002962400000000, -0.0000551000000000 ] - [ 0.0007529500000000, 0.0000588300000000, 0.0000305100000000 ] - [ 0.0000873500000000, 0.0003640500000000, -0.0004155400000000 ] - [ 0.0007571700000000, -0.0004068200000000, 0.0007453400000000 ] - [ 0.0000101700000000, 0.0002230100000000, 0.0006401800000000 ] - [ 0.0002420400000000, -0.0000452200000000, 0.0007044500000000 ] - [ -0.0007259600000000, -0.0008492600000000, 0.0058051000000000 ] - [ 0.0009048900000000, -0.0000668600000000, 0.0000366000000000 ] - [ -0.0004179100000000, 0.0006894300000000, -0.0004195900000000 ] - [ 0.0003164700000000, 0.0006547500000000, -0.0001892700000000 ] - [ 0.0018748900000000, -0.0014349500000000, 0.0013070400000000 ] - [ 0.0014194100000000, 0.0008574000000000, -0.0003104200000000 ]- atom: 91 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ -0.0007298600000000, 0.0005902300000000, -0.0003976400000000 ] - [ 0.0002321800000000, 0.0003482800000000, -0.0001470600000000 ] - [ 0.0005034100000000, 0.0003016600000000, -0.0000306000000000 ] - [ -0.0003736800000000, 0.0007751300000000, -0.0002554400000000 ] - [ -0.0003949600000000, 0.0009207000000000, -0.0001817100000000 ] - [ 0.0004167900000000, 0.0007682000000000, 0.0000378000000000 ] - [ 0.0007613100000000, 0.0010246300000000, 0.0004537700000000 ] - [ -0.0013940800000000, -0.0013437300000000, 0.0002324200000000 ] - [ -0.0022870800000000, -0.0017943000000000, -0.0006732300000000 ] - [ 0.0008448800000000, 0.0004920000000000, 0.0007324400000000 ] - [ 0.0011048500000000, 0.0007254800000000, -0.0000492700000000 ] - [ 0.0000564400000000, -0.0007243700000000, -0.0006614900000000 ] - [ 0.0025625500000000, 0.0001320900000000, 0.0001040200000000 ] - [ -0.0131815400000000, -0.0015013000000000, -0.0015537100000000 ] - [ -0.0017667800000000, 0.0000663100000000, -0.0004475000000000 ] - [ 0.0012795000000000, 0.0003820800000000, -0.0000845500000000 ] - [ -0.0069706000000000, 0.0006554500000000, -0.0009033100000000 ] - [ 0.0017026100000000, 0.0001074900000000, 0.0006431800000000 ] - [ -0.0081730700000000, -0.0000919800000000, -0.0014858200000000 ] - [ 0.0016726200000000, 0.0000335300000000, 0.0002173400000000 ] - [ 0.0020018000000000, -0.0000853100000000, 0.0011727200000000 ] - [ -0.0016996200000000, 0.0016261800000000, -0.0009643500000000 ] - [ 0.0005579600000000, 0.0003812900000000, 0.0003687100000000 ] - [ -0.0002084200000000, 0.0009416500000000, 0.0001468800000000 ] - [ -0.0005066200000000, 0.0007812800000000, -0.0003316700000000 ] - [ 0.0004367100000000, -0.0002864000000000, 0.0000865000000000 ] - [ 0.0005799900000000, -0.0001755600000000, 0.0002066400000000 ] - [ 0.0004402600000000, -0.0003789300000000, 0.0001478900000000 ] - [ -0.0010819300000000, 0.0002720600000000, 0.0001471500000000 ] - [ 0.0002839100000000, -0.0010224200000000, 0.0002687900000000 ] - [ 0.0011157700000000, -0.0019780900000000, 0.0001418900000000 ] - [ 0.0007759800000000, 0.0010496800000000, -0.0007061100000000 ] - [ 0.0017911900000000, -0.0000092800000000, 0.0004345200000000 ] - [ 0.0011594200000000, -0.0029728000000000, 0.0018642700000000 ] - [ -0.0011807200000000, -0.0003627000000000, 0.0004732000000000 ] - [ -0.0004958800000000, 0.0002719700000000, 0.0005832000000000 ] - [ -0.0015264000000000, -0.0009200700000000, -0.0016295800000000 ] - [ 0.0013561600000000, -0.0003938900000000, 0.0007944500000000 ] - [ 0.0003923000000000, -0.0001157100000000, -0.0000531600000000 ] - [ 0.0002569600000000, -0.0004013300000000, -0.0000774200000000 ] - [ 0.0043372100000000, 0.0023632900000000, 0.0012032900000000 ] - [ 0.0026893900000000, -0.0026289700000000, -0.0013154200000000 ] - [ 0.0006813400000000, -0.0007866700000000, 0.0001036300000000 ] - [ 0.0000529100000000, 0.0016342000000000, 0.0007129400000000 ] - [ -0.0202240700000000, 0.0040954700000000, -0.0032356600000000 ] - [ 0.0018184900000000, -0.0004065800000000, 0.0001998900000000 ] - [ -0.0009905900000000, -0.0008876900000000, -0.0004824200000000 ] - [ -0.0003600400000000, -0.0003462000000000, -0.0002279500000000 ] - [ -0.0007166500000000, 0.0000211200000000, -0.0001292300000000 ] - [ -0.0003673400000000, -0.0000759400000000, -0.0000233300000000 ] - [ -0.0002899300000000, -0.0004884500000000, 0.0001587200000000 ] - [ -0.0002877600000000, 0.0006033800000000, -0.0001065200000000 ] - [ 0.0005786600000000, 0.0001248200000000, 0.0000929100000000 ] - [ -0.0002228200000000, 0.0001102200000000, -0.0001074900000000 ] - [ -0.0015180800000000, -0.0004500000000000, -0.0002102300000000 ] - [ -0.0044912400000000, 0.0009474800000000, 0.0054242700000000 ] - [ 0.0017749000000000, 0.0038137300000000, -0.0006346400000000 ] - [ -0.0009110000000000, -0.0004511000000000, -0.0001633000000000 ] - [ 0.0005157200000000, -0.0004591600000000, -0.0006374500000000 ] - [ 0.0000667800000000, 0.0000496400000000, -0.0006950100000000 ] - [ -0.0013219700000000, -0.0009911300000000, 0.0003542400000000 ] - [ -0.0021305200000000, 0.0028257800000000, -0.0007877100000000 ] - [ -0.0001631400000000, 0.0000600400000000, 0.0001640900000000 ] - [ -0.0000764700000000, 0.0001475600000000, 0.0001677100000000 ] - [ -0.0006534100000000, -0.0012144300000000, 0.0017291700000000 ] - [ -0.0008491000000000, -0.0005172700000000, -0.0005680800000000 ] - [ 0.0026093300000000, 0.0003634500000000, 0.0017897700000000 ] - [ -0.0003893800000000, 0.0000233400000000, -0.0003051200000000 ] - [ 0.0003672600000000, 0.0003292000000000, 0.0000242900000000 ] - [ -0.0002324700000000, -0.0004332800000000, -0.0003675000000000 ] - [ 0.0000704500000000, 0.0002997500000000, 0.0004290300000000 ] - [ -0.0007605800000000, 0.0000646900000000, 0.0000908100000000 ] - [ 0.0001117600000000, 0.0002516600000000, 0.0001163200000000 ] - [ 0.0001262100000000, 0.0000824700000000, 0.0001411300000000 ] - [ -0.0001213800000000, -0.0000716000000000, -0.0004319800000000 ] - [ -0.0003847100000000, 0.0002157700000000, -0.0004975200000000 ] - [ 0.0003454500000000, -0.0000890700000000, -0.0002285200000000 ] - [ 0.0003281700000000, -0.0002252300000000, -0.0002502800000000 ] - [ 0.0002296700000000, -0.0002920700000000, 0.0000262900000000 ] - [ -0.0001075100000000, -0.0004665000000000, -0.0000443700000000 ] - [ -0.0011419700000000, -0.0003151900000000, -0.0002349300000000 ] - [ 0.0003734100000000, 0.0008492900000000, 0.0006397400000000 ] - [ -0.0011047700000000, -0.0010216700000000, -0.0005846900000000 ] - [ -0.0010049400000000, 0.0005306100000000, 0.0003485100000000 ] - [ -0.0002220200000000, -0.0011371700000000, -0.0001553700000000 ] - [ -0.0004453200000000, 0.0007804100000000, 0.0000216200000000 ] - [ 0.0002272700000000, -0.0004049000000000, 0.0003083300000000 ] - [ 0.0006710000000000, -0.0011735800000000, 0.0003885600000000 ] - [ 0.0017492300000000, -0.0002878300000000, -0.0004610000000000 ] - [ -0.0006759200000000, 0.0006508600000000, -0.0002421300000000 ] - [ 0.0705671200000000, -0.0010460600000000, 0.0108791000000000 ] - [ -0.0012320600000000, 0.0001372200000000, -0.0004503500000000 ] - [ -0.0006872500000000, 0.0000421500000000, 0.0000351600000000 ] - [ -0.0006638700000000, 0.0002285300000000, 0.0000680300000000 ] - [ -0.0009643400000000, 0.0005958900000000, -0.0002537500000000 ] - [ 0.0006717000000000, -0.0020139400000000, 0.0016159800000000 ] - [ -0.0035241300000000, 0.0045219000000000, 0.0044293900000000 ] - [ -0.0006955900000000, 0.0000257200000000, -0.0004349800000000 ] - [ -0.0006776300000000, 0.0005041700000000, 0.0006785500000000 ] - [ -0.0010104300000000, -0.0019249800000000, 0.0004413800000000 ] - [ 0.0001966600000000, 0.0005913200000000, 0.0000076300000000 ] - [ -0.0003999600000000, -0.0003587400000000, 0.0000695000000000 ] - [ -0.0002126000000000, 0.0007562100000000, 0.0000739200000000 ] - [ 0.0004819800000000, -0.0000272600000000, 0.0002948900000000 ] - [ -0.0003023400000000, 0.0000788800000000, -0.0003952700000000 ] - [ 0.0021606800000000, 0.0004750300000000, -0.0001105600000000 ] - [ -0.0009438500000000, 0.0006954400000000, -0.0006340600000000 ] - [ -0.0006995200000000, -0.0006570000000000, -0.0019540300000000 ] - [ 0.0000481200000000, -0.0004891900000000, 0.0000774900000000 ] - [ 0.0002764700000000, 0.0000320400000000, 0.0001947700000000 ] - [ -0.0007250000000000, 0.0005837900000000, 0.0001185300000000 ] - [ -0.0003490000000000, 0.0017122600000000, -0.0051625100000000 ] - [ 0.0007913400000000, -0.0001281300000000, -0.0002357700000000 ] - [ 0.0005318500000000, -0.0005079900000000, -0.0003284900000000 ] - [ 0.0000066500000000, -0.0004101000000000, -0.0001603500000000 ] - [ 0.0004218800000000, -0.0000108700000000, -0.0001017000000000 ] - [ -0.0000955800000000, -0.0010998200000000, 0.0003279300000000 ] - [ -0.0006338500000000, -0.0003747300000000, 0.0001444900000000 ] - [ 0.0000921800000000, -0.0001145300000000, -0.0004011900000000 ] - [ 0.0003747100000000, -0.0011867500000000, -0.0001509300000000 ] - [ 0.0002205900000000, -0.0006412800000000, -0.0003280000000000 ] - [ -0.0001689700000000, -0.0006776200000000, -0.0004256900000000 ] - [ -0.0007630600000000, 0.0009254400000000, 0.0001474100000000 ] - [ 0.0019213500000000, -0.0010256400000000, -0.0004376500000000 ] - [ -0.0175846400000000, -0.0079608100000000, -0.0040012700000000 ] - [ -0.0014104900000000, 0.0005082200000000, -0.0003251900000000 ] - [ -0.0001042200000000, 0.0001287600000000, 0.0002154300000000 ] - [ 0.0002906300000000, 0.0000697200000000, 0.0003160600000000 ] - [ 0.0001438200000000, 0.0005185200000000, -0.0001619400000000 ] - [ -0.0001801600000000, 0.0004737200000000, -0.0002501800000000 ] - [ 0.0012676500000000, 0.0003402200000000, 0.0009288900000000 ] - [ -0.0009859600000000, -0.0002888600000000, -0.0002200400000000 ] - [ 0.0009050100000000, 0.0001578600000000, 0.0000338200000000 ] - [ 0.0000152900000000, -0.0002016200000000, -0.0000528600000000 ] - [ -0.0007938500000000, -0.0005723300000000, 0.0008836300000000 ] - [ -0.0014549000000000, 0.0002013100000000, -0.0002747100000000 ] - [ 0.0001887800000000, -0.0001605200000000, 0.0007094400000000 ] - [ -0.0000406800000000, 0.0001103000000000, 0.0006458200000000 ] - [ 0.0008954200000000, 0.0011483200000000, -0.0061570200000000 ] - [ -0.0007039300000000, 0.0003643100000000, -0.0003752500000000 ] - [ 0.0003762800000000, 0.0005291300000000, -0.0001389100000000 ] - [ -0.0003604600000000, 0.0005686100000000, -0.0003705100000000 ] - [ -0.0014009100000000, 0.0017205000000000, -0.0004014000000000 ] - [ -0.0009507300000000, -0.0005724900000000, 0.0012257200000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001051800000000, -0.0014492900000000, -0.0001401400000000 ] - [ -0.0001717100000000, -0.0003384500000000, -0.0002400200000000 ] - [ 0.0002002800000000, -0.0004261900000000, -0.0001199900000000 ] - [ -0.0001787900000000, -0.0012085000000000, -0.0002094100000000 ] - [ 0.0000689600000000, -0.0009625100000000, -0.0001431100000000 ] - [ 0.0001044300000000, 0.0000145500000000, -0.0000627600000000 ] - [ -0.0008665700000000, 0.0000060500000000, 0.0002176900000000 ] - [ 0.0014973900000000, -0.0017577400000000, 0.0007362200000000 ] - [ 0.0008879400000000, -0.0025822300000000, -0.0016145900000000 ] - [ -0.0009499300000000, -0.0001874500000000, 0.0002428900000000 ] - [ -0.0001455500000000, -0.0004400900000000, -0.0005730900000000 ] - [ 0.0014787800000000, -0.0010761700000000, -0.0000725900000000 ] - [ 0.0005061600000000, 0.0021890800000000, 0.0001313400000000 ] - [ 0.0030686000000000, 0.0083076300000000, 0.0007294600000000 ] - [ -0.0001319600000000, -0.0023604500000000, 0.0016385600000000 ] - [ 0.0000767700000000, 0.0001278100000000, -0.0003781200000000 ] - [ -0.0000997500000000, 0.0098790500000000, 0.0039832800000000 ] - [ -0.0002485400000000, 0.0012027100000000, 0.0000838700000000 ] - [ 0.0017055100000000, 0.0091972200000000, -0.0010612200000000 ] - [ -0.0002153500000000, 0.0013143000000000, -0.0002442500000000 ] - [ 0.0006211800000000, 0.0013566400000000, 0.0004755300000000 ] - [ -0.0000648700000000, 0.0029681400000000, 0.0000180800000000 ] - [ 0.0003101500000000, -0.0002554700000000, 0.0003270900000000 ] - [ -0.0000887700000000, -0.0008163100000000, 0.0002024400000000 ] - [ -0.0010477300000000, -0.0017971500000000, -0.0002521400000000 ] - [ 0.0002319000000000, -0.0001821100000000, 0.0000223400000000 ] - [ 0.0002902900000000, -0.0011925700000000, 0.0000985400000000 ] - [ 0.0006855100000000, -0.0013138200000000, 0.0001963700000000 ] - [ -0.0017582800000000, -0.0030481700000000, -0.0002429400000000 ] - [ -0.0000225400000000, -0.0009575000000000, 0.0002166300000000 ] - [ 0.0015019300000000, -0.0010089800000000, 0.0002089300000000 ] - [ -0.0007674500000000, -0.0014843200000000, 0.0000064900000000 ] - [ -0.0002420500000000, 0.0000764600000000, 0.0001342900000000 ] - [ 0.0020733600000000, 0.0006405700000000, 0.0014837100000000 ] - [ -0.0006488900000000, -0.0015265200000000, 0.0005783300000000 ] - [ -0.0010131000000000, -0.0006887900000000, 0.0005135200000000 ] - [ -0.0004295600000000, 0.0024183800000000, -0.0005326600000000 ] - [ -0.0009603800000000, 0.0006145400000000, -0.0005437500000000 ] - [ 0.0000767800000000, -0.0012272700000000, -0.0001091100000000 ] - [ 0.0004511100000000, -0.0013355700000000, 0.0000015500000000 ] - [ -0.0007586300000000, 0.0002650300000000, -0.0011674900000000 ] - [ 0.0024288300000000, 0.0011668100000000, -0.0008213300000000 ] - [ 0.0007713500000000, -0.0000758200000000, 0.0001519000000000 ] - [ -0.0008700000000000, -0.0008514800000000, -0.0006087800000000 ] - [ -0.0046289000000000, 0.0143075700000000, -0.0015360000000000 ] - [ -0.0008945300000000, 0.0006176700000000, 0.0001605300000000 ] - [ -0.0004950000000000, -0.0018819300000000, -0.0003274500000000 ] - [ -0.0008322600000000, -0.0013054300000000, -0.0004309200000000 ] - [ -0.0005827200000000, 0.0004144800000000, -0.0000962800000000 ] - [ -0.0006686000000000, 0.0007286600000000, -0.0001106200000000 ] - [ 0.0005289200000000, 0.0001130900000000, 0.0003100300000000 ] - [ -0.0007508500000000, 0.0001611200000000, -0.0001775400000000 ] - [ 0.0000623400000000, 0.0013882800000000, 0.0000545800000000 ] - [ 0.0001808300000000, 0.0004119700000000, 0.0000180300000000 ] - [ 0.0002971400000000, -0.0013666100000000, 0.0005297000000000 ] - [ -0.0010708700000000, -0.0036208700000000, 0.0002939400000000 ] - [ -0.0038388400000000, 0.0100980600000000, -0.0022370700000000 ] - [ -0.0000461400000000, -0.0003209200000000, -0.0001394800000000 ] - [ 0.0007271700000000, 0.0006270600000000, -0.0004003000000000 ] - [ 0.0000917400000000, 0.0000365700000000, -0.0006934600000000 ] - [ 0.0004811300000000, -0.0006222900000000, -0.0000493100000000 ] - [ -0.0025786000000000, -0.0005516400000000, -0.0005858600000000 ] - [ 0.0000065100000000, 0.0005771700000000, 0.0002010200000000 ] - [ -0.0000660800000000, 0.0006792400000000, 0.0001837800000000 ] - [ 0.0004941800000000, 0.0021026000000000, -0.0003009500000000 ] - [ -0.0005164800000000, -0.0008654300000000, -0.0003895800000000 ] - [ 0.0002590700000000, -0.0031476100000000, 0.0001072000000000 ] - [ 0.0005646900000000, -0.0004305800000000, 0.0001080600000000 ] - [ -0.0002096600000000, 0.0003350500000000, -0.0002504300000000 ] - [ 0.0004518500000000, 0.0002620100000000, 0.0000069300000000 ] - [ -0.0002284300000000, 0.0010013500000000, 0.0002785100000000 ] - [ -0.0003405700000000, 0.0003944400000000, 0.0002635500000000 ] - [ -0.0000061200000000, 0.0007851000000000, 0.0001006300000000 ] - [ 0.0001542800000000, 0.0006596700000000, 0.0001593500000000 ] - [ 0.0000061500000000, 0.0008466800000000, -0.0003623700000000 ] - [ -0.0003292000000000, 0.0004566100000000, -0.0004844300000000 ] - [ 0.0002432900000000, 0.0004177500000000, -0.0002811900000000 ] - [ 0.0003741600000000, 0.0003423100000000, -0.0002506200000000 ] - [ -0.0000483900000000, 0.0005146800000000, -0.0000997000000000 ] - [ 0.0001005000000000, -0.0000367500000000, 0.0000061700000000 ] - [ -0.0000076700000000, -0.0002223400000000, 0.0001056200000000 ] - [ -0.0018638300000000, 0.0004465400000000, 0.0001030400000000 ] - [ -0.0001456000000000, -0.0005418900000000, 0.0006402000000000 ] - [ -0.0011513500000000, -0.0007637000000000, 0.0001692800000000 ] - [ 0.0008470000000000, 0.0003264100000000, 0.0001581800000000 ] - [ -0.0006501600000000, 0.0002160900000000, -0.0000715200000000 ] - [ 0.0002562600000000, -0.0002995900000000, 0.0003131900000000 ] - [ 0.0005555500000000, 0.0000842800000000, 0.0004470300000000 ] - [ 0.0009332500000000, 0.0057423200000000, 0.0005591900000000 ] - [ -0.0001102600000000, 0.0003564200000000, -0.0001495100000000 ] - [ 0.0013989900000000, -0.0451664600000000, 0.0005159700000000 ] - [ -0.0000645800000000, -0.0002979600000000, -0.0002896400000000 ] - [ -0.0005557200000000, 0.0006132500000000, 0.0000901300000000 ] - [ -0.0007915500000000, 0.0006953100000000, 0.0000248700000000 ] - [ -0.0003730800000000, 0.0000333700000000, -0.0000382600000000 ] - [ 0.0012963400000000, 0.0011461700000000, -0.0011156200000000 ] - [ -0.0033796100000000, -0.0002637500000000, 0.0026717100000000 ] - [ 0.0012528000000000, -0.0001912200000000, 0.0000974200000000 ] - [ -0.0009078000000000, -0.0000516400000000, 0.0006537800000000 ] - [ 0.0003652800000000, 0.0005038600000000, 0.0007990200000000 ] - [ -0.0006284000000000, 0.0010002800000000, -0.0001472600000000 ] - [ 0.0003579200000000, 0.0003833500000000, 0.0000798000000000 ] - [ -0.0000933600000000, 0.0008464600000000, 0.0001176900000000 ] - [ 0.0003893300000000, 0.0013312600000000, 0.0001814100000000 ] - [ 0.0007012200000000, 0.0000067200000000, -0.0001450100000000 ] - [ -0.0010054100000000, 0.0008231500000000, -0.0012058100000000 ] - [ -0.0006210700000000, -0.0002981200000000, -0.0006727200000000 ] - [ 0.0004416000000000, -0.0003194200000000, 0.0000948100000000 ] - [ 0.0003411000000000, 0.0001186900000000, 0.0001535700000000 ] - [ -0.0001016500000000, 0.0004922700000000, 0.0001868900000000 ] - [ 0.0002164700000000, -0.0001362400000000, 0.0002268500000000 ] - [ -0.0008633300000000, -0.0027904600000000, -0.0003225500000000 ] - [ 0.0004932300000000, 0.0003652200000000, -0.0002499000000000 ] - [ 0.0007807200000000, 0.0000066500000000, -0.0002592000000000 ] - [ 0.0003339500000000, 0.0001141100000000, -0.0000697600000000 ] - [ 0.0000214000000000, 0.0005077800000000, -0.0002715200000000 ] - [ -0.0000533300000000, 0.0007246500000000, 0.0001117700000000 ] - [ -0.0004924000000000, -0.0003854600000000, 0.0001767500000000 ] - [ 0.0000731500000000, -0.0005128500000000, -0.0003987200000000 ] - [ 0.0006688400000000, -0.0003163000000000, -0.0001100400000000 ] - [ -0.0000025200000000, 0.0002449000000000, -0.0003344900000000 ] - [ 0.0000149400000000, -0.0002524000000000, -0.0003609000000000 ] - [ -0.0000795600000000, 0.0004406700000000, 0.0002502900000000 ] - [ 0.0008503800000000, 0.0018184200000000, 0.0020531600000000 ] - [ 0.0072267300000000, -0.0017286700000000, 0.0014327000000000 ] - [ -0.0003861800000000, -0.0005295100000000, -0.0001835800000000 ] - [ 0.0000563900000000, 0.0005202600000000, 0.0002551400000000 ] - [ -0.0000027500000000, 0.0008032000000000, 0.0002284800000000 ] - [ 0.0000166900000000, 0.0013569600000000, -0.0002470500000000 ] - [ 0.0000073400000000, 0.0009175000000000, -0.0002157600000000 ] - [ -0.0002525900000000, -0.0007307500000000, 0.0001513600000000 ] - [ -0.0000961100000000, -0.0003434000000000, 0.0001904800000000 ] - [ 0.0005640000000000, 0.0011483600000000, 0.0000307600000000 ] - [ 0.0004611500000000, 0.0001575900000000, -0.0000116200000000 ] - [ 0.0006118200000000, -0.0018715800000000, -0.0000508100000000 ] - [ -0.0005826000000000, -0.0009335200000000, 0.0001589300000000 ] - [ 0.0003407500000000, 0.0006789200000000, 0.0007095800000000 ] - [ 0.0000103600000000, 0.0003424800000000, 0.0006578500000000 ] - [ -0.0009056400000000, -0.0030535300000000, -0.0039610200000000 ] - [ 0.0002832500000000, -0.0003599300000000, -0.0001110100000000 ] - [ -0.0000865200000000, 0.0014479200000000, -0.0003395700000000 ] - [ 0.0000583200000000, 0.0008174900000000, -0.0002665400000000 ] - [ -0.0011684700000000, -0.0002957300000000, -0.0000686000000000 ] - [ 0.0010532300000000, -0.0002460500000000, 0.0000310600000000 ]- atom: 91 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003027700000000, 0.0020844600000000, -0.0003711200000000 ] - [ -0.0002359200000000, 0.0009765000000000, -0.0002722500000000 ] - [ 0.0000093000000000, 0.0011721200000000, -0.0001431400000000 ] - [ 0.0003911000000000, 0.0019557100000000, -0.0000530300000000 ] - [ -0.0000070200000000, 0.0024139100000000, -0.0000007100000000 ] - [ -0.0000414500000000, 0.0014394800000000, -0.0000798300000000 ] - [ 0.0004550300000000, 0.0005862700000000, 0.0004748900000000 ] - [ -0.0018942200000000, 0.0023405200000000, -0.0000400100000000 ] - [ -0.0019446600000000, 0.0025838300000000, 0.0023304500000000 ] - [ -0.0000973000000000, 0.0001886900000000, 0.0004597500000000 ] - [ 0.0011908000000000, 0.0004477500000000, -0.0001290700000000 ] - [ -0.0004264400000000, 0.0010810200000000, -0.0006277200000000 ] - [ -0.0005631300000000, -0.0007371100000000, 0.0000115600000000 ] - [ -0.0033346400000000, -0.0069104100000000, -0.0006341600000000 ] - [ 0.0005460900000000, 0.0029513600000000, -0.0023446400000000 ] - [ 0.0003339100000000, 0.0004579500000000, -0.0003146600000000 ] - [ -0.0001447900000000, -0.0089363600000000, -0.0034073500000000 ] - [ 0.0000387300000000, -0.0004516400000000, 0.0001799600000000 ] - [ -0.0019095000000000, -0.0079275700000000, 0.0002817900000000 ] - [ -0.0001606800000000, -0.0002889600000000, -0.0002713400000000 ] - [ -0.0002089900000000, -0.0007210200000000, 0.0000392700000000 ] - [ 0.0004709200000000, -0.0023445900000000, 0.0004929000000000 ] - [ 0.0000652400000000, 0.0012758100000000, 0.0001884200000000 ] - [ 0.0004666200000000, 0.0018370800000000, 0.0003141200000000 ] - [ 0.0007400100000000, 0.0018693400000000, 0.0000662000000000 ] - [ -0.0005329400000000, 0.0002594600000000, -0.0002058100000000 ] - [ 0.0006864600000000, 0.0004818900000000, 0.0002472000000000 ] - [ 0.0002953800000000, 0.0006033100000000, 0.0001508200000000 ] - [ 0.0009729600000000, 0.0016442800000000, 0.0004978700000000 ] - [ -0.0007473400000000, -0.0004345300000000, 0.0000412200000000 ] - [ -0.0007315100000000, -0.0003907500000000, -0.0004695300000000 ] - [ 0.0015439600000000, 0.0000879400000000, -0.0002661400000000 ] - [ 0.0016461300000000, -0.0014422800000000, 0.0005837900000000 ] - [ -0.0006701000000000, -0.0019954900000000, -0.0007602200000000 ] - [ -0.0010771600000000, 0.0013696400000000, 0.0004747000000000 ] - [ -0.0007106100000000, 0.0005298300000000, 0.0005396300000000 ] - [ -0.0005501300000000, -0.0031318000000000, 0.0001969700000000 ] - [ -0.0000186800000000, -0.0013294000000000, 0.0002042000000000 ] - [ 0.0005136300000000, 0.0005434300000000, -0.0000312600000000 ] - [ 0.0001441100000000, 0.0006513900000000, -0.0001398200000000 ] - [ 0.0024958000000000, -0.0004150600000000, 0.0001138800000000 ] - [ -0.0007025500000000, -0.0013194000000000, -0.0002415700000000 ] - [ -0.0004718700000000, 0.0001462200000000, 0.0000372900000000 ] - [ 0.0011727200000000, 0.0009271700000000, 0.0008003900000000 ] - [ 0.0045452600000000, -0.0152165800000000, 0.0018641000000000 ] - [ 0.0002989300000000, -0.0013078700000000, -0.0000121000000000 ] - [ -0.0009116700000000, 0.0005110600000000, -0.0004011600000000 ] - [ -0.0005735100000000, -0.0000672600000000, -0.0002957000000000 ] - [ -0.0005358200000000, -0.0003493000000000, -0.0000668100000000 ] - [ -0.0004512400000000, -0.0006635600000000, -0.0000531700000000 ] - [ -0.0008615800000000, -0.0001476300000000, -0.0000518000000000 ] - [ 0.0004132300000000, -0.0001948500000000, 0.0004335500000000 ] - [ 0.0001678300000000, -0.0010092800000000, -0.0000752400000000 ] - [ 0.0000504500000000, -0.0000393500000000, -0.0000386900000000 ] - [ -0.0003309100000000, 0.0001429500000000, 0.0002187400000000 ] - [ 0.0010690800000000, 0.0023858200000000, 0.0004401300000000 ] - [ 0.0035229800000000, -0.0107060500000000, 0.0020327600000000 ] - [ -0.0003458100000000, -0.0001138100000000, -0.0001080200000000 ] - [ -0.0000989700000000, -0.0008817100000000, -0.0008755800000000 ] - [ 0.0005328700000000, -0.0002936900000000, -0.0005843600000000 ] - [ -0.0006121000000000, -0.0000796100000000, 0.0000535900000000 ] - [ 0.0024345500000000, -0.0001512000000000, 0.0005844100000000 ] - [ -0.0002113700000000, -0.0002825800000000, 0.0001373900000000 ] - [ -0.0001402400000000, -0.0003849700000000, 0.0001543500000000 ] - [ -0.0013444000000000, -0.0033541700000000, -0.0004298600000000 ] - [ -0.0003397200000000, -0.0004047600000000, -0.0003321900000000 ] - [ 0.0008567600000000, 0.0031988600000000, 0.0000582800000000 ] - [ 0.0005530100000000, 0.0004947900000000, 0.0000551300000000 ] - [ 0.0005474400000000, -0.0003649000000000, -0.0000053300000000 ] - [ -0.0001170400000000, -0.0002930000000000, -0.0002640000000000 ] - [ -0.0005572000000000, -0.0006515500000000, 0.0001925500000000 ] - [ -0.0004444500000000, -0.0000431000000000, 0.0002070500000000 ] - [ 0.0002717500000000, -0.0003641300000000, 0.0001690800000000 ] - [ 0.0001090100000000, -0.0002382600000000, 0.0001094300000000 ] - [ -0.0004830500000000, -0.0005553800000000, -0.0005396200000000 ] - [ -0.0001502700000000, -0.0001666500000000, -0.0004180800000000 ] - [ 0.0004540000000000, -0.0006294000000000, -0.0001932900000000 ] - [ 0.0003210600000000, -0.0005539500000000, -0.0002244700000000 ] - [ 0.0001763200000000, -0.0012129400000000, 0.0000985100000000 ] - [ 0.0000259800000000, -0.0006600200000000, -0.0000081400000000 ] - [ -0.0007631200000000, 0.0000786800000000, -0.0000828600000000 ] - [ 0.0010879700000000, -0.0005907500000000, -0.0000786300000000 ] - [ -0.0012547800000000, -0.0000577400000000, -0.0000795700000000 ] - [ -0.0002487900000000, 0.0001641900000000, 0.0003949400000000 ] - [ -0.0009100600000000, -0.0001789800000000, -0.0002644100000000 ] - [ 0.0005805700000000, -0.0000640100000000, -0.0000353100000000 ] - [ 0.0006000400000000, -0.0009669600000000, 0.0004084800000000 ] - [ 0.0002989800000000, -0.0013517800000000, 0.0002738600000000 ] - [ -0.0011249400000000, -0.0045681400000000, -0.0008585600000000 ] - [ -0.0001032100000000, 0.0007320100000000, -0.0001652100000000 ] - [ -0.0020819800000000, 0.0455226600000000, -0.0012598600000000 ] - [ -0.0000988800000000, 0.0006048200000000, -0.0002335800000000 ] - [ -0.0007726600000000, -0.0002659600000000, 0.0000240800000000 ] - [ -0.0005383500000000, -0.0003479100000000, 0.0000888000000000 ] - [ 0.0001399600000000, 0.0003422100000000, 0.0000585300000000 ] - [ -0.0015361600000000, -0.0007706200000000, 0.0011396600000000 ] - [ 0.0047111400000000, 0.0006360100000000, -0.0027818400000000 ] - [ 0.0000749100000000, 0.0005386400000000, -0.0002113700000000 ] - [ 0.0002835300000000, -0.0002011000000000, 0.0006242800000000 ] - [ -0.0009909800000000, -0.0007556700000000, 0.0004794600000000 ] - [ 0.0007012500000000, -0.0008500400000000, 0.0002566500000000 ] - [ -0.0002911700000000, -0.0002298700000000, 0.0000278800000000 ] - [ 0.0003063300000000, 0.0002451400000000, 0.0001974600000000 ] - [ -0.0001789600000000, -0.0002405700000000, 0.0001334800000000 ] - [ 0.0000846400000000, 0.0003408900000000, -0.0003253100000000 ] - [ 0.0017855700000000, -0.0004749800000000, 0.0007295000000000 ] - [ 0.0004166700000000, 0.0003670000000000, -0.0006791000000000 ] - [ -0.0006419500000000, 0.0003868700000000, -0.0014444400000000 ] - [ 0.0000511100000000, -0.0005555900000000, 0.0000942000000000 ] - [ 0.0004917500000000, -0.0009274400000000, 0.0000616000000000 ] - [ -0.0001808900000000, 0.0012315200000000, 0.0001946900000000 ] - [ 0.0009237900000000, 0.0038754500000000, 0.0007775700000000 ] - [ 0.0009081800000000, -0.0009595500000000, -0.0003138200000000 ] - [ 0.0006186300000000, -0.0005997800000000, -0.0003044200000000 ] - [ 0.0000617800000000, -0.0005171400000000, -0.0001587700000000 ] - [ 0.0003729900000000, -0.0009094300000000, 0.0000416900000000 ] - [ -0.0006521100000000, -0.0017604600000000, 0.0003241300000000 ] - [ -0.0002159200000000, -0.0006543000000000, 0.0002609600000000 ] - [ 0.0006353400000000, -0.0005229300000000, -0.0000381100000000 ] - [ 0.0000380700000000, -0.0007201400000000, -0.0003279200000000 ] - [ 0.0000332300000000, -0.0014684600000000, -0.0004150400000000 ] - [ 0.0000155600000000, -0.0009707000000000, -0.0003886900000000 ] - [ 0.0001194600000000, 0.0007836100000000, 0.0003087900000000 ] - [ -0.0008158500000000, -0.0005977100000000, -0.0015034000000000 ] - [ -0.0075147200000000, 0.0020824500000000, -0.0017067000000000 ] - [ 0.0001245300000000, 0.0009491500000000, -0.0000843000000000 ] - [ 0.0001053500000000, -0.0002126800000000, 0.0002687600000000 ] - [ 0.0001630400000000, -0.0004958600000000, 0.0002952800000000 ] - [ -0.0000534000000000, -0.0002598500000000, -0.0001738700000000 ] - [ -0.0000442900000000, 0.0001797500000000, -0.0002051800000000 ] - [ -0.0001407700000000, 0.0003362500000000, 0.0000785800000000 ] - [ -0.0003008500000000, -0.0000580000000000, 0.0000380700000000 ] - [ 0.0002070100000000, -0.0012917200000000, -0.0000532500000000 ] - [ 0.0003103600000000, -0.0002974400000000, -0.0000100900000000 ] - [ -0.0013048000000000, 0.0016502500000000, 0.0005246000000000 ] - [ -0.0001119700000000, 0.0007202200000000, 0.0003147500000000 ] - [ -0.0001382300000000, -0.0006134200000000, 0.0006411500000000 ] - [ 0.0001899700000000, -0.0002780400000000, 0.0006924400000000 ] - [ 0.0010988000000000, 0.0033707100000000, 0.0035687600000000 ] - [ -0.0000774700000000, 0.0006541500000000, -0.0002265100000000 ] - [ 0.0000434300000000, -0.0002241900000000, -0.0002194300000000 ] - [ -0.0001000700000000, 0.0004047300000000, -0.0002921600000000 ] - [ 0.0016431800000000, 0.0005933700000000, 0.0009709500000000 ] - [ -0.0005754700000000, 0.0005372200000000, 0.0008723900000000 ]- atom: 91 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0002451600000000, 0.0004256500000000, -0.0002714900000000 ] - [ -0.0001922400000000, 0.0003132200000000, -0.0002454000000000 ] - [ 0.0001247500000000, 0.0003537500000000, -0.0001235200000000 ] - [ 0.0000800900000000, 0.0003710600000000, -0.0000481900000000 ] - [ 0.0000130600000000, 0.0006657200000000, -0.0000767200000000 ] - [ 0.0000467100000000, 0.0007209100000000, -0.0000759100000000 ] - [ -0.0001054300000000, 0.0003687700000000, 0.0003604800000000 ] - [ -0.0004157600000000, 0.0001959400000000, 0.0012766000000000 ] - [ -0.0004638600000000, -0.0013693600000000, 0.0004584400000000 ] - [ -0.0005170700000000, 0.0000048400000000, 0.0003940100000000 ] - [ 0.0004520600000000, -0.0000711700000000, -0.0003502600000000 ] - [ 0.0007539400000000, -0.0000515800000000, -0.0010551000000000 ] - [ 0.0005803800000000, 0.0006900700000000, 0.0002150200000000 ] - [ -0.0018836800000000, 0.0005991700000000, 0.0058251800000000 ] - [ 0.0001002500000000, 0.0011823800000000, -0.0005929400000000 ] - [ 0.0002223900000000, 0.0002934500000000, -0.0003671600000000 ] - [ -0.0006685800000000, 0.0024891800000000, 0.0081938700000000 ] - [ -0.0000560500000000, 0.0003854500000000, 0.0000713300000000 ] - [ -0.0028227500000000, -0.0011348600000000, 0.0029185100000000 ] - [ -0.0002079200000000, 0.0005280700000000, -0.0001205200000000 ] - [ -0.0001925700000000, 0.0004028400000000, 0.0001575600000000 ] - [ 0.0010513100000000, 0.0001333200000000, -0.0035043700000000 ] - [ 0.0001830500000000, 0.0005165500000000, 0.0002529000000000 ] - [ 0.0002027800000000, 0.0004975100000000, 0.0001698200000000 ] - [ -0.0001406200000000, -0.0000954700000000, -0.0005459300000000 ] - [ -0.0001958600000000, 0.0000851800000000, -0.0001153200000000 ] - [ 0.0004968400000000, -0.0003525500000000, 0.0001547100000000 ] - [ 0.0004792700000000, -0.0003462700000000, 0.0001638200000000 ] - [ -0.0006219800000000, -0.0007371600000000, 0.0005433700000000 ] - [ -0.0002815500000000, -0.0007557400000000, 0.0001413900000000 ] - [ 0.0003022900000000, -0.0006657400000000, 0.0000787700000000 ] - [ 0.0007573300000000, -0.0003740100000000, -0.0001021200000000 ] - [ 0.0009336400000000, -0.0006256800000000, -0.0001378200000000 ] - [ -0.0008637500000000, 0.0007087700000000, 0.0001753400000000 ] - [ -0.0008802600000000, -0.0000664500000000, 0.0005892700000000 ] - [ -0.0008408500000000, -0.0000690500000000, 0.0005352400000000 ] - [ 0.0010223100000000, 0.0000307700000000, -0.0051134100000000 ] - [ -0.0007780200000000, -0.0004739600000000, -0.0002260000000000 ] - [ 0.0002944200000000, -0.0003337000000000, -0.0000511000000000 ] - [ 0.0003156000000000, -0.0003884900000000, -0.0000669900000000 ] - [ 0.0009375000000000, 0.0000273700000000, 0.0000510500000000 ] - [ 0.0024440300000000, -0.0012843900000000, -0.0000413600000000 ] - [ 0.0002271100000000, 0.0000574500000000, -0.0001062200000000 ] - [ -0.0002249700000000, -0.0002629700000000, -0.0000111300000000 ] - [ -0.0018607700000000, -0.0011615400000000, 0.0104710800000000 ] - [ -0.0000047200000000, -0.0002455600000000, 0.0001439300000000 ] - [ -0.0006898600000000, -0.0006976000000000, -0.0004257000000000 ] - [ -0.0007142500000000, -0.0007026600000000, -0.0003617000000000 ] - [ -0.0005637800000000, 0.0000355500000000, -0.0000788000000000 ] - [ -0.0005488200000000, 0.0000268500000000, -0.0000778700000000 ] - [ -0.0001962500000000, -0.0000549600000000, 0.0002867400000000 ] - [ 0.0000134000000000, -0.0001522300000000, 0.0001101300000000 ] - [ 0.0001603800000000, 0.0002373400000000, -0.0000886400000000 ] - [ 0.0000944200000000, 0.0001852400000000, -0.0000155500000000 ] - [ -0.0000294200000000, -0.0005794000000000, 0.0002381800000000 ] - [ -0.0059121700000000, -0.0001307800000000, 0.0027127200000000 ] - [ 0.0007415500000000, -0.0013502100000000, -0.0022601600000000 ] - [ -0.0002463700000000, -0.0002338400000000, -0.0001362300000000 ] - [ 0.0003844800000000, 0.0000028400000000, -0.0006281100000000 ] - [ 0.0002881400000000, -0.0001238700000000, -0.0006002700000000 ] - [ -0.0002202300000000, -0.0004138600000000, -0.0000183900000000 ] - [ 0.0001698800000000, -0.0002536600000000, -0.0014304700000000 ] - [ -0.0001070600000000, 0.0001453300000000, 0.0001691000000000 ] - [ -0.0000984900000000, 0.0001557800000000, 0.0001501500000000 ] - [ -0.0012289400000000, 0.0005257900000000, 0.0055795800000000 ] - [ -0.0003963100000000, -0.0006545400000000, -0.0003463000000000 ] - [ -0.0006081600000000, -0.0000991500000000, 0.0042772600000000 ] - [ 0.0006259700000000, 0.0000515800000000, 0.0001037400000000 ] - [ 0.0001580300000000, -0.0000226200000000, -0.0000012400000000 ] - [ 0.0002003900000000, 0.0000171800000000, -0.0001172300000000 ] - [ -0.0004151000000000, 0.0002041800000000, 0.0003608900000000 ] - [ -0.0003876700000000, 0.0001762200000000, 0.0002362000000000 ] - [ 0.0001377600000000, 0.0002062200000000, 0.0001257600000000 ] - [ 0.0001239700000000, 0.0002081400000000, 0.0001368900000000 ] - [ -0.0002239900000000, 0.0001266400000000, -0.0005005000000000 ] - [ -0.0002598400000000, 0.0001641700000000, -0.0004564400000000 ] - [ 0.0003476700000000, -0.0001042600000000, -0.0002254400000000 ] - [ 0.0003506000000000, -0.0000936900000000, -0.0002316500000000 ] - [ 0.0000798400000000, -0.0003999200000000, 0.0000081000000000 ] - [ 0.0000584700000000, -0.0003464000000000, 0.0000067600000000 ] - [ -0.0003780000000000, -0.0000746100000000, -0.0000502600000000 ] - [ -0.0016419800000000, 0.0013335500000000, -0.0001108200000000 ] - [ -0.0003346100000000, -0.0001304500000000, 0.0003195700000000 ] - [ -0.0009183200000000, -0.0003383500000000, 0.0010633900000000 ] - [ -0.0000302700000000, -0.0000308800000000, -0.0002491400000000 ] - [ -0.0002377400000000, 0.0002177000000000, -0.0001530600000000 ] - [ 0.0004130400000000, -0.0006208700000000, 0.0003852100000000 ] - [ 0.0004599100000000, -0.0005043000000000, 0.0003639000000000 ] - [ 0.0006777900000000, 0.0010171400000000, -0.0024702600000000 ] - [ -0.0001640200000000, 0.0005469800000000, -0.0001678800000000 ] - [ 0.0072214100000000, 0.0001184300000000, -0.0418059300000000 ] - [ -0.0001939500000000, 0.0001222900000000, -0.0002806100000000 ] - [ -0.0006581100000000, 0.0001863000000000, 0.0000578200000000 ] - [ -0.0006749900000000, 0.0001867600000000, 0.0000779100000000 ] - [ -0.0000933100000000, 0.0001898500000000, -0.0000501800000000 ] - [ -0.0008071700000000, -0.0008096000000000, 0.0000848400000000 ] - [ -0.0042388100000000, 0.0035362500000000, 0.0018279000000000 ] - [ 0.0006772900000000, 0.0001774100000000, -0.0001761400000000 ] - [ -0.0005132900000000, 0.0000550700000000, 0.0005650500000000 ] - [ -0.0002725700000000, -0.0001602900000000, 0.0004247200000000 ] - [ 0.0001079800000000, 0.0000186800000000, -0.0000159900000000 ] - [ -0.0000056600000000, 0.0000437400000000, 0.0000554200000000 ] - [ 0.0001071300000000, 0.0005533400000000, 0.0001335200000000 ] - [ 0.0000690600000000, 0.0003744200000000, 0.0001592300000000 ] - [ 0.0003839800000000, 0.0001760000000000, -0.0001796100000000 ] - [ 0.0014476200000000, -0.0010930400000000, 0.0002709900000000 ] - [ -0.0002000400000000, -0.0001682900000000, 0.0001930100000000 ] - [ 0.0001457200000000, 0.0002341000000000, -0.0007485300000000 ] - [ 0.0001917500000000, -0.0002301000000000, 0.0001021700000000 ] - [ 0.0001622800000000, -0.0001244300000000, 0.0001087700000000 ] - [ -0.0000292400000000, 0.0005637500000000, 0.0003532400000000 ] - [ 0.0049193000000000, 0.0001316100000000, 0.0057227100000000 ] - [ 0.0006862400000000, -0.0002363500000000, -0.0002921400000000 ] - [ 0.0007004400000000, -0.0002958200000000, -0.0002946200000000 ] - [ 0.0001877700000000, -0.0002059900000000, -0.0001007200000000 ] - [ 0.0002396700000000, -0.0002492500000000, -0.0001170100000000 ] - [ -0.0004078100000000, -0.0009454400000000, 0.0002420500000000 ] - [ -0.0003563900000000, -0.0005153300000000, 0.0001803900000000 ] - [ 0.0003918800000000, -0.0005566100000000, -0.0002007500000000 ] - [ 0.0002878900000000, -0.0005040000000000, 0.0000727200000000 ] - [ 0.0000262200000000, -0.0006106800000000, -0.0003942600000000 ] - [ 0.0000073000000000, -0.0006076300000000, -0.0003763400000000 ] - [ 0.0000027300000000, 0.0006150300000000, 0.0003379900000000 ] - [ 0.0007056800000000, 0.0016512000000000, 0.0005803400000000 ] - [ -0.0011700600000000, -0.0004445200000000, -0.0042154200000000 ] - [ -0.0005152900000000, 0.0002539500000000, -0.0003431400000000 ] - [ 0.0000779300000000, 0.0001553400000000, 0.0002584900000000 ] - [ 0.0000816500000000, 0.0001667400000000, 0.0002643300000000 ] - [ -0.0000206700000000, 0.0005540400000000, -0.0001854800000000 ] - [ -0.0000188300000000, 0.0005512400000000, -0.0002101800000000 ] - [ -0.0004982400000000, -0.0002832900000000, 0.0011896800000000 ] - [ -0.0001506400000000, -0.0001960500000000, 0.0001225000000000 ] - [ 0.0004282300000000, -0.0000645300000000, -0.0001534200000000 ] - [ 0.0003719700000000, -0.0000707500000000, -0.0000149400000000 ] - [ -0.0014093000000000, 0.0001012500000000, 0.0016388100000000 ] - [ 0.0001572600000000, -0.0001896600000000, 0.0001577900000000 ] - [ 0.0000876500000000, 0.0000234000000000, 0.0007288500000000 ] - [ 0.0001057100000000, 0.0000228700000000, 0.0006779100000000 ] - [ 0.0051285500000000, -0.0022600000000000, 0.0084582600000000 ] - [ 0.0000696300000000, 0.0001480700000000, -0.0000281800000000 ] - [ -0.0000357500000000, 0.0006723100000000, -0.0001706600000000 ] - [ -0.0000163500000000, 0.0006106700000000, -0.0002791600000000 ] - [ 0.0005958100000000, 0.0000392000000000, -0.0001966900000000 ] - [ 0.0000220100000000, -0.0000647000000000, 0.0003578200000000 ]- atom: 91 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0001606100000000, 0.0002039900000000, -0.0002413300000000 ] - [ -0.0002154200000000, 0.0003223800000000, -0.0002664500000000 ] - [ 0.0000858600000000, 0.0003915100000000, -0.0001395600000000 ] - [ 0.0001298600000000, 0.0003710100000000, -0.0002146800000000 ] - [ 0.0000495700000000, 0.0007817700000000, -0.0000642000000000 ] - [ 0.0000162300000000, 0.0007314600000000, -0.0000663200000000 ] - [ -0.0003065300000000, 0.0002215200000000, 0.0003309700000000 ] - [ 0.0000111100000000, 0.0003961000000000, -0.0005805100000000 ] - [ -0.0005759500000000, 0.0013681400000000, 0.0002288100000000 ] - [ -0.0005343100000000, -0.0000021800000000, 0.0003081700000000 ] - [ 0.0005915200000000, 0.0000754000000000, -0.0003502900000000 ] - [ 0.0003025800000000, 0.0000492000000000, 0.0003553400000000 ] - [ -0.0006411100000000, 0.0007673300000000, -0.0000774500000000 ] - [ 0.0018399100000000, 0.0008706300000000, -0.0056808900000000 ] - [ 0.0003051700000000, -0.0006021100000000, -0.0000851300000000 ] - [ 0.0001861200000000, 0.0002949000000000, -0.0003257000000000 ] - [ 0.0004270900000000, -0.0012857900000000, -0.0073485500000000 ] - [ -0.0001537400000000, 0.0003675000000000, 0.0001932800000000 ] - [ 0.0026750600000000, 0.0025255300000000, -0.0037461200000000 ] - [ -0.0001705200000000, 0.0004997500000000, -0.0003955200000000 ] - [ 0.0005978500000000, 0.0002388500000000, 0.0003597800000000 ] - [ -0.0006284500000000, 0.0005309800000000, 0.0040219100000000 ] - [ 0.0001933600000000, 0.0005036700000000, 0.0002643800000000 ] - [ 0.0001730800000000, 0.0005206900000000, 0.0003471600000000 ] - [ -0.0001722800000000, 0.0001508300000000, 0.0003584800000000 ] - [ -0.0001059800000000, -0.0000096700000000, -0.0000712400000000 ] - [ 0.0004802700000000, -0.0003586500000000, 0.0001858900000000 ] - [ 0.0005018800000000, -0.0003674900000000, 0.0001763800000000 ] - [ -0.0001512100000000, -0.0006575500000000, -0.0002878700000000 ] - [ -0.0004886400000000, -0.0006373800000000, 0.0001174800000000 ] - [ 0.0004770800000000, -0.0007303500000000, -0.0003375600000000 ] - [ 0.0000130200000000, -0.0010228700000000, -0.0001532800000000 ] - [ 0.0004596600000000, -0.0007438500000000, 0.0008519200000000 ] - [ 0.0022793000000000, -0.0020766200000000, 0.0005317400000000 ] - [ -0.0008426200000000, -0.0000969300000000, 0.0004638900000000 ] - [ -0.0008835400000000, -0.0000908200000000, 0.0005176800000000 ] - [ -0.0020107000000000, -0.0007189400000000, 0.0047706300000000 ] - [ -0.0002015000000000, -0.0002316900000000, -0.0001132000000000 ] - [ 0.0002951600000000, -0.0003522800000000, -0.0000889200000000 ] - [ 0.0002765000000000, -0.0002980800000000, -0.0000718800000000 ] - [ 0.0007975800000000, -0.0001769900000000, -0.0011005800000000 ] - [ -0.0007121600000000, 0.0011213900000000, -0.0010014600000000 ] - [ 0.0000732600000000, 0.0000230300000000, 0.0002998600000000 ] - [ 0.0005235000000000, 0.0003360100000000, 0.0001988000000000 ] - [ 0.0012586100000000, 0.0004992400000000, -0.0103421700000000 ] - [ -0.0005941800000000, -0.0004380300000000, 0.0000095300000000 ] - [ -0.0007160400000000, -0.0006773500000000, -0.0003001700000000 ] - [ -0.0006925700000000, -0.0006710700000000, -0.0003640200000000 ] - [ -0.0005553700000000, 0.0000317500000000, -0.0000836200000000 ] - [ -0.0005715600000000, 0.0000418000000000, -0.0000848400000000 ] - [ -0.0001325700000000, 0.0000244900000000, -0.0000266700000000 ] - [ -0.0003526600000000, 0.0001196600000000, 0.0001487200000000 ] - [ 0.0000702000000000, 0.0001387100000000, 0.0000684500000000 ] - [ 0.0001372200000000, 0.0001898800000000, -0.0000046200000000 ] - [ -0.0000044900000000, -0.0006443400000000, 0.0005099400000000 ] - [ 0.0058060900000000, -0.0010883700000000, -0.0019538100000000 ] - [ -0.0011497100000000, 0.0009768300000000, 0.0019978300000000 ] - [ -0.0001445600000000, -0.0002011100000000, -0.0001109400000000 ] - [ 0.0002447600000000, -0.0002541100000000, -0.0006521400000000 ] - [ 0.0003363300000000, -0.0001313500000000, -0.0006770800000000 ] - [ 0.0000900400000000, -0.0002866600000000, 0.0000264100000000 ] - [ -0.0002868800000000, -0.0004583300000000, 0.0014342800000000 ] - [ -0.0000980000000000, 0.0001523200000000, 0.0001699200000000 ] - [ -0.0001073500000000, 0.0001419500000000, 0.0001884400000000 ] - [ 0.0003796100000000, -0.0017600700000000, -0.0062829000000000 ] - [ -0.0004600100000000, -0.0006156400000000, -0.0003747800000000 ] - [ 0.0017258800000000, 0.0001501200000000, -0.0041191100000000 ] - [ 0.0004933800000000, 0.0000124000000000, 0.0000602700000000 ] - [ 0.0001769100000000, -0.0000090200000000, -0.0002556600000000 ] - [ 0.0001366400000000, -0.0000475100000000, -0.0001380700000000 ] - [ -0.0003692700000000, 0.0001491500000000, 0.0001099400000000 ] - [ -0.0003967500000000, 0.0001756900000000, 0.0002351200000000 ] - [ 0.0001260400000000, 0.0002178800000000, 0.0001433700000000 ] - [ 0.0001399500000000, 0.0002153500000000, 0.0001319700000000 ] - [ -0.0002526300000000, 0.0001675400000000, -0.0004008600000000 ] - [ -0.0002184900000000, 0.0001284300000000, -0.0004458600000000 ] - [ 0.0003484300000000, -0.0001047700000000, -0.0002484600000000 ] - [ 0.0003452900000000, -0.0001157700000000, -0.0002421700000000 ] - [ 0.0000483100000000, -0.0002933400000000, -0.0000100400000000 ] - [ 0.0000695900000000, -0.0003489600000000, -0.0000079900000000 ] - [ -0.0003920700000000, -0.0000682700000000, 0.0000733900000000 ] - [ 0.0008572500000000, -0.0014672700000000, 0.0001249800000000 ] - [ -0.0010606300000000, -0.0004661000000000, 0.0002397500000000 ] - [ -0.0004871000000000, -0.0002556700000000, -0.0004997600000000 ] - [ -0.0000358100000000, 0.0001799400000000, 0.0001439400000000 ] - [ 0.0001675500000000, -0.0000645700000000, 0.0000439500000000 ] - [ 0.0004428200000000, -0.0006461300000000, 0.0003369200000000 ] - [ 0.0003961600000000, -0.0007609300000000, 0.0003590500000000 ] - [ -0.0008942800000000, 0.0000575100000000, 0.0021490200000000 ] - [ -0.0000488500000000, 0.0005422200000000, -0.0001463300000000 ] - [ -0.0074679100000000, -0.0006835500000000, 0.0408837500000000 ] - [ 0.0000319900000000, 0.0001845900000000, -0.0002417200000000 ] - [ -0.0006705500000000, 0.0001646900000000, 0.0000566800000000 ] - [ -0.0006553800000000, 0.0001646200000000, 0.0000362800000000 ] - [ -0.0001398800000000, 0.0001850300000000, 0.0000714800000000 ] - [ 0.0005775000000000, 0.0011847800000000, -0.0000761200000000 ] - [ 0.0056072400000000, -0.0032243200000000, -0.0019266100000000 ] - [ 0.0006571500000000, 0.0001705700000000, 0.0000644500000000 ] - [ -0.0001141100000000, -0.0003112500000000, 0.0007160000000000 ] - [ -0.0003489200000000, -0.0000867800000000, 0.0008552500000000 ] - [ -0.0000431200000000, 0.0001393800000000, 0.0001234700000000 ] - [ 0.0000748600000000, 0.0001105600000000, 0.0000525100000000 ] - [ 0.0001043200000000, 0.0005386300000000, 0.0001819300000000 ] - [ 0.0001439400000000, 0.0007194500000000, 0.0001558900000000 ] - [ 0.0004041000000000, 0.0001730200000000, -0.0002894000000000 ] - [ -0.0006767500000000, 0.0014473400000000, -0.0007388600000000 ] - [ 0.0000024300000000, 0.0002292700000000, -0.0015406300000000 ] - [ -0.0003469300000000, -0.0001695100000000, -0.0005933700000000 ] - [ 0.0002009000000000, -0.0002044100000000, 0.0001460300000000 ] - [ 0.0002284500000000, -0.0003080600000000, 0.0001382300000000 ] - [ 0.0000688100000000, 0.0005309700000000, 0.0000699000000000 ] - [ -0.0049617000000000, 0.0009685700000000, -0.0053536200000000 ] - [ 0.0007136900000000, -0.0003555000000000, -0.0002698900000000 ] - [ 0.0007004300000000, -0.0002965500000000, -0.0002680000000000 ] - [ 0.0002083100000000, -0.0001939800000000, -0.0001269800000000 ] - [ 0.0001537500000000, -0.0001492100000000, -0.0001106900000000 ] - [ -0.0002994300000000, -0.0000818500000000, 0.0002022700000000 ] - [ -0.0003514400000000, -0.0005227300000000, 0.0002579300000000 ] - [ 0.0003151900000000, -0.0004810500000000, -0.0002379500000000 ] - [ 0.0004195300000000, -0.0005345100000000, -0.0005097600000000 ] - [ 0.0000046200000000, -0.0006080200000000, -0.0003546400000000 ] - [ 0.0000238100000000, -0.0006131800000000, -0.0003727300000000 ] - [ 0.0000398000000000, 0.0006081800000000, 0.0002223500000000 ] - [ -0.0006685000000000, -0.0004261700000000, -0.0000079300000000 ] - [ 0.0008145900000000, 0.0008208300000000, 0.0039452300000000 ] - [ 0.0002525300000000, 0.0001648200000000, 0.0000722400000000 ] - [ 0.0000835200000000, 0.0001544700000000, 0.0002656300000000 ] - [ 0.0000789300000000, 0.0001442700000000, 0.0002593700000000 ] - [ -0.0000158600000000, 0.0005473100000000, -0.0002349100000000 ] - [ -0.0000176700000000, 0.0005480800000000, -0.0002099500000000 ] - [ 0.0001019800000000, -0.0001277000000000, -0.0009603300000000 ] - [ -0.0002444800000000, -0.0002054100000000, 0.0001074400000000 ] - [ 0.0003444100000000, -0.0000706800000000, 0.0001328900000000 ] - [ 0.0004006500000000, -0.0000689700000000, -0.0000060900000000 ] - [ 0.0007251700000000, -0.0003188100000000, -0.0011605200000000 ] - [ -0.0008559700000000, -0.0000244600000000, 0.0003198100000000 ] - [ 0.0001156300000000, 0.0000464900000000, 0.0006230100000000 ] - [ 0.0000953300000000, 0.0000442800000000, 0.0006738200000000 ] - [ -0.0048286200000000, 0.0025108300000000, -0.0087080700000000 ] - [ 0.0001361000000000, 0.0001454500000000, -0.0003087300000000 ] - [ -0.0000079800000000, 0.0005579500000000, -0.0003880400000000 ] - [ -0.0000253000000000, 0.0006138800000000, -0.0002791000000000 ] - [ -0.0001288400000000, 0.0002540100000000, 0.0010952200000000 ] - [ 0.0004582000000000, 0.0003529100000000, 0.0005387000000000 ]- atom: 93 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0020413900000000, 0.0006528300000000, 0.0000086800000000 ] - [ -0.0018377400000000, 0.0004735000000000, -0.0020790700000000 ] - [ 0.0012970900000000, -0.0009670900000000, 0.0011022000000000 ] - [ -0.0008208000000000, 0.0008577900000000, -0.0005443700000000 ] - [ -0.0070047300000000, 0.0019540400000000, -0.0029521900000000 ] - [ -0.0029942800000000, 0.0007777100000000, 0.0000607700000000 ] - [ 0.0005349000000000, 0.0018173900000000, 0.0015929800000000 ] - [ -0.0012639100000000, -0.0002656900000000, -0.0000138600000000 ] - [ -0.0004577700000000, 0.0004721000000000, 0.0004331200000000 ] - [ -0.0007099900000000, -0.0003139600000000, 0.0002678700000000 ] - [ 0.0057899700000000, 0.0020760400000000, -0.0009429800000000 ] - [ -0.0007918800000000, -0.0003754100000000, -0.0006204100000000 ] - [ 0.0002553500000000, 0.0008651600000000, 0.0001738000000000 ] - [ -0.0003094300000000, 0.0007077000000000, -0.0000162600000000 ] - [ 0.0001157600000000, 0.0009458000000000, -0.0004496200000000 ] - [ 0.0000408300000000, -0.0001765700000000, -0.0003428200000000 ] - [ -0.0001206000000000, -0.0002836700000000, 0.0000736300000000 ] - [ -0.0003808300000000, 0.0009605400000000, 0.0001185200000000 ] - [ -0.0001084100000000, -0.0000856300000000, -0.0001720000000000 ] - [ -0.0004803300000000, 0.0010420800000000, -0.0003890800000000 ] - [ 0.0004492900000000, 0.0004122800000000, 0.0002973600000000 ] - [ -0.0000523500000000, 0.0003254600000000, 0.0002009300000000 ] - [ 0.0026460800000000, -0.0034790300000000, -0.0004590700000000 ] - [ -0.0009219800000000, 0.0009225900000000, 0.0001076900000000 ] - [ -0.0007694600000000, -0.0031582200000000, 0.0007528600000000 ] - [ -0.0015522300000000, 0.0007976800000000, -0.0005507700000000 ] - [ 0.0122005400000000, -0.0014082800000000, -0.0052725200000000 ] - [ -0.0008042800000000, -0.0004090300000000, -0.0001980500000000 ] - [ 0.0003474300000000, -0.0025484600000000, -0.0008225500000000 ] - [ -0.0012803900000000, -0.0002691800000000, -0.0000928400000000 ] - [ 0.0009675400000000, -0.0007994300000000, 0.0000532300000000 ] - [ -0.0000373700000000, -0.0006168900000000, -0.0002561900000000 ] - [ 0.0015297600000000, -0.0006222200000000, 0.0004757700000000 ] - [ 0.0002114600000000, -0.0007380300000000, 0.0002200800000000 ] - [ -0.0001761700000000, 0.0008710200000000, 0.0003136600000000 ] - [ -0.0016640800000000, -0.0005103400000000, 0.0003889300000000 ] - [ -0.0002567900000000, -0.0003408900000000, -0.0001060600000000 ] - [ -0.0007158200000000, -0.0003010100000000, -0.0002394900000000 ] - [ 0.0124231400000000, 0.0004739900000000, -0.0062474000000000 ] - [ -0.0010754400000000, -0.0004775900000000, -0.0004278400000000 ] - [ 0.0016099600000000, 0.0001850200000000, -0.0002516800000000 ] - [ 0.0003682000000000, -0.0001383700000000, -0.0006539800000000 ] - [ 0.0007522500000000, 0.0000898700000000, 0.0002314300000000 ] - [ -0.0002680800000000, 0.0001122800000000, 0.0000002700000000 ] - [ -0.0000637600000000, -0.0003161100000000, 0.0001358000000000 ] - [ -0.0005227500000000, -0.0002979100000000, 0.0000258900000000 ] - [ -0.0013850600000000, 0.0011440500000000, 0.0000393000000000 ] - [ -0.0015763700000000, -0.0013344700000000, -0.0006530300000000 ] - [ -0.0012167000000000, 0.0022875800000000, 0.0031838400000000 ] - [ 0.0001681800000000, -0.0001914400000000, 0.0000929200000000 ] - [ -0.0014061600000000, 0.0006503800000000, -0.0003602000000000 ] - [ 0.0003618100000000, -0.0001113500000000, 0.0003071500000000 ] - [ 0.0007450400000000, 0.0008462200000000, 0.0006697400000000 ] - [ 0.0006676100000000, -0.0001452500000000, -0.0001275000000000 ] - [ -0.0001461100000000, -0.0007821500000000, 0.0003319100000000 ] - [ 0.0001346500000000, -0.0005534600000000, 0.0004167200000000 ] - [ -0.0002602500000000, -0.0003578800000000, -0.0001137500000000 ] - [ -0.0001256400000000, -0.0001331100000000, -0.0001284500000000 ] - [ 0.0014283100000000, 0.0037988100000000, 0.0003205600000000 ] - [ 0.0010025800000000, -0.0003950200000000, -0.0005969100000000 ] - [ -0.0003945200000000, -0.0006059300000000, -0.0001395100000000 ] - [ 0.0001520800000000, -0.0002385000000000, 0.0000655400000000 ] - [ -0.0014622100000000, 0.0000752000000000, -0.0016835900000000 ] - [ 0.0004352900000000, 0.0002340500000000, 0.0003840900000000 ] - [ -0.0003072300000000, 0.0000540900000000, -0.0004555500000000 ] - [ -0.0002033700000000, -0.0010581500000000, -0.0002950800000000 ] - [ 0.0005761500000000, 0.0001569300000000, 0.0000807900000000 ] - [ 0.0005709900000000, -0.0001101900000000, 0.0000935300000000 ] - [ -0.0000828800000000, -0.0005067900000000, -0.0002401900000000 ] - [ 0.0004553100000000, 0.0001309300000000, -0.0000313200000000 ] - [ -0.0001798800000000, -0.0002194100000000, 0.0002189000000000 ] - [ -0.0002137000000000, 0.0005937900000000, 0.0003420000000000 ] - [ -0.0027980800000000, -0.0004547000000000, 0.0003619900000000 ] - [ 0.0007967400000000, 0.0001737600000000, 0.0003239000000000 ] - [ -0.0009824100000000, 0.0013952800000000, 0.0039401100000000 ] - [ 0.0005072200000000, 0.0001682800000000, -0.0002372800000000 ] - [ 0.0001433200000000, -0.0063693100000000, -0.0037547800000000 ] - [ 0.0010412100000000, -0.0000850600000000, -0.0001082400000000 ] - [ 0.0001584900000000, -0.0013232500000000, 0.0003037200000000 ] - [ 0.0004847000000000, 0.0000710700000000, 0.0000394300000000 ] - [ -0.0003960000000000, -0.0008281600000000, -0.0002230600000000 ] - [ -0.0000907600000000, 0.0001214800000000, 0.0000864300000000 ] - [ -0.0013189600000000, -0.0006161200000000, 0.0001841500000000 ] - [ -0.0004445600000000, -0.0002547800000000, 0.0003405200000000 ] - [ -0.0012601800000000, 0.0002220200000000, -0.0002475000000000 ] - [ 0.0004653600000000, -0.0000158600000000, 0.0000545600000000 ] - [ -0.0002315300000000, -0.0003291000000000, 0.0002159900000000 ] - [ 0.0006940200000000, -0.0008279700000000, 0.0004538300000000 ] - [ 0.0000155500000000, 0.0011087600000000, -0.0000172300000000 ] - [ 0.0001114000000000, 0.0002194500000000, -0.0001056700000000 ] - [ -0.0000584600000000, 0.0002622500000000, -0.0002487600000000 ] - [ -0.0000811000000000, 0.0000276500000000, -0.0002713400000000 ] - [ -0.0315671600000000, 0.0045352500000000, 0.0255838600000000 ] - [ -0.0000168200000000, 0.0001776100000000, 0.0001684700000000 ] - [ -0.0002305800000000, 0.0002721000000000, -0.0000364200000000 ] - [ 0.0000330500000000, 0.0000911100000000, 0.0000661900000000 ] - [ 0.0005528400000000, 0.0001377500000000, -0.0000935500000000 ] - [ 0.0007733300000000, 0.0001707700000000, -0.0000266900000000 ] - [ -0.0005625600000000, -0.0001713700000000, 0.0005366700000000 ] - [ -0.0001147400000000, -0.0001254900000000, 0.0006977700000000 ] - [ -0.0003376400000000, -0.0001829700000000, 0.0000007400000000 ] - [ 0.0003323900000000, 0.0001996900000000, 0.0001106400000000 ] - [ -0.0002001500000000, 0.0010790100000000, 0.0000082200000000 ] - [ 0.0003735800000000, 0.0003353700000000, 0.0002173900000000 ] - [ 0.0002474200000000, -0.0004274700000000, -0.0000341500000000 ] - [ 0.0006770100000000, 0.0003549500000000, -0.0001609500000000 ] - [ -0.0003021600000000, -0.0000018200000000, -0.0007138300000000 ] - [ 0.0000792100000000, 0.0000136500000000, -0.0006372200000000 ] - [ 0.0026213900000000, -0.0059975400000000, -0.0074019700000000 ] - [ 0.0008021800000000, -0.0001318700000000, 0.0002749000000000 ] - [ -0.0001161700000000, 0.0004099000000000, 0.0001848000000000 ] - [ 0.0001523600000000, 0.0005923000000000, 0.0002410800000000 ] - [ 0.0006207400000000, -0.0007246800000000, -0.0006548800000000 ] - [ 0.0010146100000000, -0.0001133200000000, -0.0001382300000000 ] - [ -0.0020540400000000, -0.0019060000000000, 0.0031208200000000 ] - [ 0.0009058600000000, -0.0000991000000000, 0.0000835600000000 ] - [ -0.0001898800000000, 0.0004402600000000, -0.0000949700000000 ] - [ 0.0000381300000000, -0.0008834000000000, 0.0005084100000000 ] - [ 0.0001083600000000, -0.0004244000000000, -0.0002386400000000 ] - [ 0.0005263700000000, -0.0005760400000000, -0.0001823500000000 ] - [ 0.0002084900000000, -0.0013744100000000, 0.0001530600000000 ] - [ 0.0005718400000000, -0.0002042800000000, -0.0003776900000000 ] - [ -0.0000967200000000, 0.0006462400000000, 0.0002590700000000 ] - [ 0.0001547500000000, 0.0005436800000000, 0.0003053200000000 ] - [ -0.0003863500000000, 0.0002302100000000, -0.0002323900000000 ] - [ 0.0000789900000000, 0.0001689600000000, -0.0000555600000000 ] - [ 0.0043113600000000, 0.0042273700000000, -0.0037434900000000 ] - [ 0.0014287000000000, -0.0004313600000000, 0.0006300900000000 ] - [ 0.0007969800000000, -0.0003337900000000, -0.0005855800000000 ] - [ 0.0008906700000000, 0.0011913300000000, 0.0002253800000000 ] - [ -0.0001924100000000, -0.0003335200000000, 0.0000925700000000 ] - [ -0.0001703300000000, -0.0001269500000000, 0.0001400900000000 ] - [ 0.0004645800000000, -0.0004054500000000, 0.0000818000000000 ] - [ 0.0005095800000000, 0.0002453300000000, -0.0000322800000000 ] - [ -0.0006101500000000, -0.0000490900000000, 0.0001856300000000 ] - [ -0.0001211200000000, -0.0001535500000000, 0.0002799000000000 ] - [ 0.0065265800000000, 0.0029694900000000, -0.0060163400000000 ] - [ 0.0010226400000000, 0.0001027700000000, 0.0009594900000000 ] - [ -0.0000257400000000, 0.0001862800000000, -0.0001962100000000 ] - [ 0.0002313700000000, 0.0000680600000000, -0.0001363200000000 ] - [ 0.0012872900000000, 0.0013340500000000, -0.0003278300000000 ] - [ 0.0019389300000000, -0.0005849800000000, 0.0003595300000000 ] - [ 0.0000480400000000, 0.0001298000000000, 0.0003864500000000 ] - [ 0.0004147400000000, 0.0001210700000000, 0.0005085700000000 ]- atom: 93 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0016365700000000, -0.0000153500000000, -0.0005302600000000 ] - [ 0.0014420100000000, 0.0001664300000000, 0.0015586500000000 ] - [ -0.0010806200000000, 0.0017181900000000, -0.0013570600000000 ] - [ 0.0010329700000000, -0.0001141800000000, 0.0002832100000000 ] - [ 0.0070751200000000, -0.0005077000000000, 0.0028267100000000 ] - [ 0.0030491300000000, 0.0006788900000000, -0.0001982400000000 ] - [ -0.0009459800000000, -0.0012360000000000, -0.0008943300000000 ] - [ 0.0008573000000000, 0.0008586800000000, 0.0007084400000000 ] - [ -0.0005916200000000, -0.0004677000000000, 0.0002683400000000 ] - [ -0.0003353900000000, 0.0003182100000000, 0.0004352000000000 ] - [ -0.0047230100000000, -0.0021348600000000, 0.0002398000000000 ] - [ 0.0018447000000000, 0.0003840400000000, -0.0000810700000000 ] - [ -0.0003172400000000, 0.0005889700000000, -0.0000306400000000 ] - [ 0.0002478300000000, 0.0007472300000000, 0.0001597200000000 ] - [ 0.0002925100000000, -0.0003586000000000, -0.0002438400000000 ] - [ 0.0003718200000000, 0.0007653200000000, -0.0003493500000000 ] - [ -0.0000906100000000, 0.0010348400000000, 0.0001899000000000 ] - [ 0.0001735600000000, -0.0002131600000000, 0.0001459500000000 ] - [ -0.0002692600000000, 0.0011115900000000, -0.0003445400000000 ] - [ 0.0001077400000000, -0.0000196000000000, -0.0001262200000000 ] - [ -0.0000402400000000, 0.0002265100000000, 0.0002158600000000 ] - [ 0.0004611300000000, 0.0003134800000000, 0.0003121300000000 ] - [ -0.0022429700000000, 0.0045221000000000, 0.0009752700000000 ] - [ 0.0013016100000000, 0.0000964200000000, 0.0004076100000000 ] - [ 0.0004634300000000, 0.0032511400000000, -0.0009411200000000 ] - [ 0.0012513500000000, -0.0007191600000000, 0.0003639400000000 ] - [ -0.0111750400000000, 0.0007132500000000, 0.0056682800000000 ] - [ 0.0017862800000000, -0.0003000600000000, 0.0005414600000000 ] - [ -0.0011292300000000, 0.0011531800000000, 0.0010798800000000 ] - [ 0.0005139900000000, -0.0011231600000000, 0.0003524700000000 ] - [ -0.0001925700000000, -0.0005918300000000, -0.0003135900000000 ] - [ 0.0008131900000000, -0.0007770100000000, -0.0000039700000000 ] - [ -0.0001258200000000, -0.0007516900000000, 0.0002426300000000 ] - [ 0.0011961700000000, -0.0006322800000000, 0.0004981600000000 ] - [ -0.0015629300000000, -0.0010262200000000, 0.0007367000000000 ] - [ -0.0000571800000000, 0.0003523800000000, 0.0006654300000000 ] - [ -0.0007207600000000, -0.0003699900000000, -0.0002325500000000 ] - [ -0.0002583600000000, -0.0004125100000000, -0.0000992100000000 ] - [ -0.0118815500000000, -0.0011282500000000, 0.0059547300000000 ] - [ 0.0016732000000000, -0.0002044300000000, 0.0002895500000000 ] - [ 0.0001147200000000, -0.0003510800000000, -0.0008085500000000 ] - [ 0.0013603800000000, -0.0000249300000000, -0.0004046700000000 ] - [ -0.0004498200000000, -0.0000076100000000, -0.0000387800000000 ] - [ 0.0005696100000000, -0.0000357500000000, 0.0001912700000000 ] - [ -0.0005324700000000, -0.0003720000000000, 0.0000137300000000 ] - [ -0.0000709900000000, -0.0003905300000000, 0.0001245300000000 ] - [ -0.0000292000000000, -0.0025175200000000, -0.0007717300000000 ] - [ 0.0001751400000000, -0.0000364400000000, -0.0000763000000000 ] - [ 0.0000792300000000, -0.0022230000000000, -0.0033439600000000 ] - [ -0.0012873800000000, 0.0002576400000000, -0.0002562500000000 ] - [ 0.0010770400000000, -0.0006817400000000, 0.0006177100000000 ] - [ -0.0006973200000000, 0.0000788100000000, -0.0000499400000000 ] - [ -0.0005101400000000, -0.0004769900000000, -0.0006959100000000 ] - [ -0.0004391200000000, 0.0005178900000000, 0.0001025700000000 ] - [ 0.0001172000000000, -0.0004400800000000, 0.0004177700000000 ] - [ -0.0001636800000000, -0.0006696800000000, 0.0003328800000000 ] - [ -0.0001295400000000, -0.0000772800000000, -0.0001336000000000 ] - [ -0.0002654800000000, -0.0003016600000000, -0.0001190900000000 ] - [ -0.0008057100000000, -0.0040939300000000, -0.0016085400000000 ] - [ -0.0003764500000000, 0.0001383900000000, -0.0006822600000000 ] - [ 0.0002687400000000, -0.0000901300000000, 0.0001419700000000 ] - [ -0.0002789100000000, -0.0004595200000000, -0.0000634300000000 ] - [ 0.0012580500000000, 0.0002183200000000, 0.0020210800000000 ] - [ -0.0006409900000000, 0.0000611900000000, -0.0000464000000000 ] - [ -0.0005471500000000, -0.0013243800000000, -0.0002653100000000 ] - [ -0.0006528200000000, -0.0002115600000000, -0.0004265300000000 ] - [ 0.0005437300000000, -0.0000918900000000, 0.0000830300000000 ] - [ 0.0005479500000000, 0.0001757900000000, 0.0000699800000000 ] - [ 0.0004210200000000, 0.0004749800000000, -0.0000159600000000 ] - [ -0.0001195600000000, -0.0001617200000000, -0.0002256500000000 ] - [ -0.0006028000000000, 0.0005716700000000, 0.0002524100000000 ] - [ -0.0005733200000000, -0.0002431900000000, 0.0001280000000000 ] - [ 0.0030751600000000, 0.0008380500000000, -0.0000643700000000 ] - [ -0.0005331600000000, 0.0002488700000000, -0.0000556300000000 ] - [ 0.0005349000000000, -0.0011036800000000, -0.0048448500000000 ] - [ -0.0009864000000000, 0.0001219100000000, -0.0006662700000000 ] - [ 0.0005894800000000, 0.0061823400000000, 0.0032978700000000 ] - [ -0.0003445900000000, -0.0001255500000000, -0.0003664500000000 ] - [ -0.0000260000000000, 0.0006304800000000, -0.0003058100000000 ] - [ -0.0003568200000000, -0.0007665700000000, -0.0000416000000000 ] - [ -0.0003769300000000, 0.0006921300000000, 0.0002488800000000 ] - [ -0.0006792000000000, -0.0002630800000000, -0.0000638700000000 ] - [ -0.0000788900000000, 0.0000232200000000, 0.0003802200000000 ] - [ -0.0009553100000000, -0.0003399600000000, 0.0002231800000000 ] - [ 0.0011960400000000, -0.0000667300000000, 0.0001419700000000 ] - [ -0.0005332500000000, 0.0001692500000000, -0.0001620100000000 ] - [ 0.0010885900000000, -0.0009396200000000, 0.0005044400000000 ] - [ 0.0001626400000000, -0.0004381700000000, 0.0002676800000000 ] - [ -0.0002269900000000, -0.0000197900000000, -0.0002978000000000 ] - [ -0.0003252500000000, 0.0008710900000000, -0.0002098000000000 ] - [ -0.0001022800000000, 0.0000455200000000, -0.0002742200000000 ] - [ -0.0000807100000000, 0.0002806700000000, -0.0002519000000000 ] - [ 0.0301032800000000, -0.0041194200000000, -0.0254153400000000 ] - [ -0.0013123100000000, 0.0001702500000000, -0.0000543200000000 ] - [ -0.0000009000000000, 0.0001022100000000, 0.0000570700000000 ] - [ -0.0002640900000000, 0.0002833700000000, -0.0000455400000000 ] - [ 0.0007779800000000, 0.0002102700000000, -0.0000201400000000 ] - [ 0.0005560100000000, 0.0001774500000000, -0.0000870900000000 ] - [ -0.0000616600000000, -0.0000847100000000, 0.0007421400000000 ] - [ -0.0005100600000000, -0.0001296500000000, 0.0005806800000000 ] - [ 0.0004083800000000, 0.0003337900000000, 0.0001073400000000 ] - [ -0.0002645400000000, -0.0000458900000000, -0.0000030000000000 ] - [ 0.0004109800000000, 0.0000107300000000, 0.0003068900000000 ] - [ -0.0001602900000000, 0.0007570700000000, 0.0000976600000000 ] - [ 0.0005385600000000, 0.0007822900000000, -0.0004396500000000 ] - [ 0.0001097800000000, -0.0000057300000000, -0.0003094500000000 ] - [ 0.0001027600000000, 0.0000670200000000, -0.0006356500000000 ] - [ -0.0002798400000000, 0.0000519400000000, -0.0007124200000000 ] - [ -0.0022316100000000, 0.0055106400000000, 0.0075815100000000 ] - [ -0.0004113300000000, -0.0003050000000000, -0.0000280000000000 ] - [ 0.0001537600000000, 0.0006878100000000, 0.0002370900000000 ] - [ -0.0001150500000000, 0.0005046200000000, 0.0001809200000000 ] - [ 0.0007834200000000, 0.0001296900000000, 0.0000943500000000 ] - [ 0.0003856800000000, -0.0004792900000000, -0.0004252400000000 ] - [ 0.0024169500000000, 0.0015224100000000, -0.0033826900000000 ] - [ -0.0005106600000000, -0.0003032200000000, -0.0003123700000000 ] - [ -0.0005174600000000, -0.0014821900000000, 0.0005369800000000 ] - [ -0.0007469700000000, -0.0001553300000000, -0.0000696200000000 ] - [ 0.0006003800000000, -0.0006140700000000, -0.0001988700000000 ] - [ 0.0001823100000000, -0.0004613000000000, -0.0002551100000000 ] - [ -0.0001720900000000, 0.0001563200000000, -0.0009066900000000 ] - [ -0.0005412000000000, -0.0010183000000000, -0.0003753400000000 ] - [ 0.0001383700000000, 0.0005771500000000, 0.0003000500000000 ] - [ -0.0001125100000000, 0.0006796500000000, 0.0002540200000000 ] - [ 0.0001258700000000, 0.0001916200000000, -0.0000363800000000 ] - [ -0.0003414300000000, 0.0002523500000000, -0.0002139400000000 ] - [ -0.0041025100000000, -0.0038684700000000, 0.0042121600000000 ] - [ -0.0012768200000000, 0.0007464300000000, -0.0001090900000000 ] - [ -0.0008338800000000, 0.0014388400000000, 0.0001708800000000 ] - [ -0.0009261400000000, -0.0000910900000000, -0.0006430100000000 ] - [ -0.0002021200000000, -0.0000681700000000, 0.0001367700000000 ] - [ -0.0002255700000000, -0.0002744700000000, 0.0000885800000000 ] - [ 0.0003100200000000, 0.0002661300000000, -0.0001033900000000 ] - [ 0.0002615400000000, -0.0003856700000000, 0.0000099400000000 ] - [ -0.0000845400000000, -0.0001620700000000, 0.0002892000000000 ] - [ -0.0005756600000000, -0.0000580100000000, 0.0001946700000000 ] - [ -0.0064152300000000, -0.0029512700000000, 0.0074874000000000 ] - [ -0.0008207100000000, -0.0000374500000000, 0.0003920600000000 ] - [ 0.0002330000000000, 0.0001085600000000, -0.0001414400000000 ] - [ -0.0000256200000000, 0.0002272600000000, -0.0002015600000000 ] - [ -0.0013338000000000, -0.0001168800000000, -0.0002281800000000 ] - [ -0.0019684500000000, 0.0017943600000000, -0.0009132700000000 ] - [ 0.0004308800000000, 0.0001592700000000, 0.0005166000000000 ] - [ 0.0000628800000000, 0.0001686300000000, 0.0003941100000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005389100000000, 0.0023043800000000, -0.0003401300000000 ] - [ -0.0001295300000000, 0.0035967400000000, -0.0001996900000000 ] - [ -0.0011710600000000, -0.0000082500000000, -0.0004794600000000 ] - [ 0.0005413500000000, 0.0007792600000000, 0.0000515600000000 ] - [ 0.0009547800000000, 0.0051087300000000, 0.0001854800000000 ] - [ -0.0005065300000000, 0.0033482300000000, -0.0002541800000000 ] - [ 0.0005890400000000, -0.0002849900000000, 0.0003954300000000 ] - [ -0.0004960100000000, 0.0005999300000000, 0.0002405200000000 ] - [ -0.0000229300000000, -0.0011663900000000, 0.0004653100000000 ] - [ -0.0009166100000000, -0.0009313600000000, 0.0001376900000000 ] - [ 0.0018845200000000, 0.0003167100000000, -0.0001144400000000 ] - [ 0.0003653900000000, 0.0004070000000000, -0.0003804600000000 ] - [ -0.0001315100000000, -0.0008298400000000, 0.0000695300000000 ] - [ -0.0000530200000000, -0.0000245900000000, 0.0000778200000000 ] - [ 0.0009054500000000, -0.0008269200000000, -0.0001306500000000 ] - [ -0.0003845000000000, -0.0006830400000000, -0.0003566700000000 ] - [ -0.0006764300000000, -0.0006366200000000, -0.0000537200000000 ] - [ 0.0007089700000000, -0.0008688000000000, 0.0002435200000000 ] - [ -0.0006894400000000, -0.0002440000000000, -0.0003679400000000 ] - [ 0.0006358400000000, -0.0005166100000000, 0.0000529700000000 ] - [ 0.0000941600000000, -0.0012865600000000, 0.0002070800000000 ] - [ 0.0002092200000000, -0.0004571100000000, 0.0002473900000000 ] - [ -0.0045489800000000, -0.0063171400000000, -0.0011635500000000 ] - [ 0.0005767800000000, 0.0008140300000000, 0.0003106100000000 ] - [ -0.0025087400000000, 0.0001153900000000, 0.0010558200000000 ] - [ 0.0008201100000000, 0.0003554100000000, 0.0001894500000000 ] - [ -0.0008152000000000, 0.0116744200000000, 0.0047656700000000 ] - [ 0.0005165300000000, 0.0004043300000000, 0.0001888900000000 ] - [ -0.0017902600000000, -0.0004061000000000, -0.0020605000000000 ] - [ 0.0002358800000000, -0.0002139500000000, 0.0003119600000000 ] - [ 0.0003093700000000, -0.0022497100000000, -0.0000217400000000 ] - [ 0.0003976800000000, -0.0011449600000000, -0.0001296900000000 ] - [ 0.0003463600000000, -0.0024539400000000, 0.0007777300000000 ] - [ 0.0007736100000000, -0.0009707200000000, 0.0003872700000000 ] - [ 0.0016373900000000, -0.0011453700000000, 0.0018532500000000 ] - [ -0.0013979300000000, 0.0000350000000000, 0.0003948700000000 ] - [ -0.0005690900000000, -0.0014338000000000, -0.0001544400000000 ] - [ -0.0004293900000000, -0.0011296600000000, -0.0001149000000000 ] - [ 0.0010808400000000, 0.0115377900000000, -0.0034224800000000 ] - [ 0.0003721900000000, 0.0004114100000000, -0.0000645300000000 ] - [ 0.0007095200000000, -0.0017968000000000, -0.0010835300000000 ] - [ 0.0009135500000000, -0.0003563900000000, -0.0005264900000000 ] - [ 0.0001495200000000, -0.0015934100000000, -0.0000192700000000 ] - [ 0.0001117100000000, -0.0003909300000000, 0.0000818300000000 ] - [ -0.0003496200000000, -0.0014435900000000, 0.0000170900000000 ] - [ -0.0002043100000000, -0.0011244600000000, 0.0000570900000000 ] - [ 0.0022588900000000, -0.0019313500000000, -0.0002821100000000 ] - [ -0.0014652300000000, -0.0005427500000000, -0.0005478300000000 ] - [ 0.0019033800000000, -0.0002226100000000, 0.0045197800000000 ] - [ -0.0006138200000000, -0.0003946500000000, -0.0000797200000000 ] - [ 0.0005580400000000, 0.0006804000000000, -0.0005628200000000 ] - [ -0.0003047500000000, -0.0000696100000000, 0.0000976200000000 ] - [ 0.0005290400000000, -0.0005094800000000, 0.0001969700000000 ] - [ -0.0007726100000000, -0.0006468100000000, -0.0003078900000000 ] - [ -0.0001050400000000, 0.0002737600000000, 0.0003629400000000 ] - [ 0.0000587200000000, -0.0002825100000000, 0.0003778200000000 ] - [ -0.0002269000000000, 0.0003733100000000, -0.0001548200000000 ] - [ -0.0000893200000000, 0.0002918800000000, -0.0001302400000000 ] - [ 0.0047022900000000, 0.0023200900000000, 0.0006384200000000 ] - [ 0.0000229600000000, -0.0004048800000000, -0.0006454000000000 ] - [ 0.0000054100000000, 0.0004728600000000, 0.0000256100000000 ] - [ -0.0000558700000000, -0.0001933600000000, 0.0000092800000000 ] - [ -0.0001499400000000, -0.0018804200000000, 0.0001626500000000 ] - [ -0.0001683700000000, -0.0002267400000000, 0.0001375000000000 ] - [ 0.0001330400000000, -0.0001326400000000, -0.0004418400000000 ] - [ -0.0008853800000000, -0.0004036600000000, -0.0004846400000000 ] - [ 0.0006978000000000, 0.0005054500000000, 0.0001174200000000 ] - [ 0.0005151600000000, 0.0006080600000000, 0.0000671100000000 ] - [ -0.0001406500000000, 0.0008861000000000, -0.0001518800000000 ] - [ 0.0004226700000000, 0.0002082200000000, -0.0000552500000000 ] - [ -0.0008875300000000, 0.0003812800000000, 0.0001624100000000 ] - [ 0.0007452200000000, 0.0008649700000000, 0.0006102600000000 ] - [ -0.0009876600000000, 0.0063543600000000, -0.0067363300000000 ] - [ 0.0002409600000000, -0.0000480800000000, 0.0001516700000000 ] - [ 0.0006371300000000, -0.0025997700000000, 0.0016353300000000 ] - [ -0.0003790700000000, -0.0003755100000000, -0.0005071700000000 ] - [ -0.0059547700000000, 0.0078793300000000, 0.0061312700000000 ] - [ 0.0005152300000000, -0.0003906300000000, -0.0001882200000000 ] - [ -0.0010746300000000, 0.0001669800000000, -0.0003828400000000 ] - [ 0.0004321100000000, -0.0003852600000000, 0.0000324100000000 ] - [ -0.0014904800000000, 0.0014528800000000, 0.0010560900000000 ] - [ -0.0002040800000000, -0.0000293800000000, 0.0000547400000000 ] - [ -0.0002284500000000, 0.0011630200000000, 0.0004126700000000 ] - [ -0.0007490100000000, -0.0001977600000000, 0.0002671000000000 ] - [ 0.0002940400000000, 0.0006922600000000, 0.0007159900000000 ] - [ -0.0001593100000000, 0.0000430500000000, -0.0000947400000000 ] - [ 0.0005092200000000, 0.0005166900000000, 0.0009313500000000 ] - [ 0.0003555800000000, -0.0005900900000000, 0.0003305100000000 ] - [ 0.0003646600000000, 0.0008606600000000, 0.0001607200000000 ] - [ -0.0006372500000000, 0.0006947600000000, -0.0002928100000000 ] - [ 0.0000496500000000, 0.0005938700000000, -0.0002158000000000 ] - [ -0.0001359000000000, 0.0006753000000000, -0.0002648500000000 ] - [ 0.0036149800000000, -0.0349317200000000, -0.0031716400000000 ] - [ -0.0006611800000000, -0.0002197600000000, 0.0000699200000000 ] - [ -0.0000681400000000, 0.0008979700000000, -0.0000354400000000 ] - [ -0.0002763100000000, 0.0005606500000000, -0.0000554900000000 ] - [ 0.0007011600000000, 0.0007462300000000, -0.0000519300000000 ] - [ 0.0006689000000000, 0.0005950700000000, -0.0000568800000000 ] - [ -0.0002945300000000, 0.0005385000000000, 0.0006511000000000 ] - [ -0.0002648400000000, 0.0001021200000000, 0.0006504100000000 ] - [ -0.0002317700000000, 0.0010455000000000, -0.0000706300000000 ] - [ 0.0002137200000000, 0.0002498300000000, 0.0000859600000000 ] - [ 0.0005888100000000, 0.0016186500000000, -0.0001267700000000 ] - [ -0.0000734900000000, 0.0006185500000000, 0.0001132200000000 ] - [ -0.0001625300000000, 0.0015435800000000, -0.0015250800000000 ] - [ 0.0005563300000000, 0.0002016800000000, -0.0001901800000000 ] - [ -0.0001475200000000, 0.0007142400000000, -0.0006737000000000 ] - [ -0.0001401400000000, 0.0003502000000000, -0.0006895700000000 ] - [ -0.0047424100000000, 0.0006492100000000, 0.0068813200000000 ] - [ 0.0002834500000000, -0.0005886000000000, 0.0001300200000000 ] - [ -0.0000678900000000, 0.0014563000000000, 0.0001722200000000 ] - [ 0.0000327200000000, 0.0008708100000000, 0.0002293300000000 ] - [ -0.0000768900000000, 0.0002288600000000, -0.0004327500000000 ] - [ 0.0009260200000000, -0.0003162500000000, -0.0001742400000000 ] - [ -0.0019114300000000, -0.0005864000000000, -0.0068883300000000 ] - [ 0.0002728500000000, -0.0005571300000000, -0.0000812500000000 ] - [ 0.0001342500000000, -0.0008875300000000, 0.0003047300000000 ] - [ -0.0006769700000000, -0.0008695400000000, 0.0000282200000000 ] - [ 0.0004414900000000, 0.0004415000000000, -0.0002109700000000 ] - [ 0.0003547500000000, -0.0002649600000000, -0.0002135400000000 ] - [ -0.0006683900000000, -0.0014780900000000, -0.0007962700000000 ] - [ 0.0007190600000000, -0.0012430300000000, -0.0002156400000000 ] - [ 0.0000766200000000, 0.0012904100000000, 0.0003428100000000 ] - [ -0.0001298700000000, 0.0009388900000000, 0.0002523400000000 ] - [ 0.0001413300000000, 0.0008793800000000, 0.0000163700000000 ] - [ -0.0002544400000000, 0.0004944900000000, -0.0002081800000000 ] - [ 0.0044503600000000, -0.0003057300000000, -0.0020784900000000 ] - [ -0.0000647400000000, -0.0002124600000000, 0.0002195600000000 ] - [ -0.0009374200000000, -0.0004736100000000, -0.0001717000000000 ] - [ 0.0007858100000000, -0.0002090000000000, 0.0000582800000000 ] - [ -0.0002843500000000, 0.0003536800000000, 0.0001085300000000 ] - [ -0.0001401300000000, 0.0003383600000000, 0.0001526700000000 ] - [ -0.0000703900000000, 0.0001359700000000, -0.0001927800000000 ] - [ 0.0009036900000000, 0.0002557000000000, 0.0001191200000000 ] - [ -0.0000611100000000, 0.0005734300000000, 0.0002429700000000 ] - [ -0.0004877700000000, 0.0001965000000000, 0.0002373800000000 ] - [ 0.0026408300000000, -0.0025387400000000, -0.0011472900000000 ] - [ -0.0001548000000000, -0.0005532500000000, 0.0006070700000000 ] - [ 0.0001172700000000, 0.0006751200000000, -0.0001665300000000 ] - [ -0.0000320500000000, 0.0005957700000000, -0.0002069800000000 ] - [ 0.0005068300000000, -0.0000494100000000, -0.0002268400000000 ] - [ -0.0020414700000000, -0.0005270500000000, -0.0006553600000000 ] - [ 0.0002008000000000, 0.0008194600000000, 0.0004286700000000 ] - [ 0.0001960500000000, 0.0004612800000000, 0.0004463600000000 ]- atom: 93 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001163400000000, -0.0016636900000000, -0.0001767300000000 ] - [ -0.0002683200000000, -0.0029656300000000, -0.0003069100000000 ] - [ 0.0013817000000000, 0.0007702000000000, 0.0002165500000000 ] - [ -0.0003322600000000, -0.0000268000000000, -0.0003156000000000 ] - [ -0.0009420000000000, -0.0036487500000000, -0.0003407600000000 ] - [ 0.0005763600000000, -0.0018991700000000, 0.0001122200000000 ] - [ -0.0009969900000000, 0.0008556300000000, 0.0002985300000000 ] - [ 0.0000838600000000, -0.0000165600000000, 0.0004520300000000 ] - [ -0.0010236300000000, 0.0011733200000000, 0.0002372100000000 ] - [ -0.0001328200000000, 0.0009379400000000, 0.0005631200000000 ] - [ -0.0006812000000000, -0.0007961800000000, -0.0005418100000000 ] - [ 0.0006798600000000, -0.0004075700000000, -0.0003220100000000 ] - [ 0.0000696800000000, 0.0022875500000000, 0.0000735100000000 ] - [ -0.0000096300000000, 0.0014792300000000, 0.0000652100000000 ] - [ -0.0004944300000000, 0.0014194500000000, -0.0005620800000000 ] - [ 0.0007921400000000, 0.0012754300000000, -0.0003350200000000 ] - [ 0.0004700000000000, 0.0013839100000000, 0.0003183300000000 ] - [ -0.0009271200000000, 0.0016212800000000, 0.0000200400000000 ] - [ 0.0003158100000000, 0.0012631100000000, -0.0001474500000000 ] - [ -0.0010194000000000, 0.0015419700000000, -0.0005730600000000 ] - [ 0.0003136000000000, 0.0019288700000000, 0.0003057600000000 ] - [ 0.0001991600000000, 0.0010960600000000, 0.0002655700000000 ] - [ 0.0049099900000000, 0.0073481400000000, 0.0016734500000000 ] - [ -0.0002015900000000, 0.0002123900000000, 0.0002059400000000 ] - [ 0.0022165900000000, -0.0000673700000000, -0.0012491400000000 ] - [ -0.0011274300000000, -0.0002873700000000, -0.0003747200000000 ] - [ 0.0018082500000000, -0.0124569800000000, -0.0044261200000000 ] - [ 0.0004598900000000, -0.0011147500000000, 0.0001558300000000 ] - [ 0.0010201800000000, -0.0010120000000000, 0.0023310500000000 ] - [ -0.0010092600000000, -0.0011845100000000, -0.0000549100000000 ] - [ 0.0004653300000000, 0.0008573800000000, -0.0002375400000000 ] - [ 0.0003763600000000, -0.0002459800000000, -0.0001311900000000 ] - [ 0.0010656100000000, 0.0010874500000000, -0.0000679000000000 ] - [ 0.0006295300000000, -0.0004043000000000, 0.0003290400000000 ] - [ -0.0033546200000000, 0.0009947600000000, -0.0007991000000000 ] - [ -0.0003265800000000, -0.0001896500000000, 0.0006579200000000 ] - [ -0.0004042000000000, 0.0007224200000000, -0.0001859600000000 ] - [ -0.0005481100000000, 0.0004186500000000, -0.0002259100000000 ] - [ -0.0004786900000000, -0.0122794900000000, 0.0032905600000000 ] - [ 0.0002164000000000, -0.0010961100000000, -0.0000762800000000 ] - [ 0.0010209900000000, 0.0016391400000000, 0.0000336900000000 ] - [ 0.0008116700000000, 0.0001894000000000, -0.0005329100000000 ] - [ 0.0001508400000000, 0.0016712900000000, 0.0002084300000000 ] - [ 0.0001882300000000, 0.0004707000000000, 0.0001085400000000 ] - [ -0.0002440900000000, 0.0007553500000000, 0.0001328700000000 ] - [ -0.0003932600000000, 0.0004381100000000, 0.0000933100000000 ] - [ -0.0036580200000000, 0.0005656700000000, -0.0004418100000000 ] - [ 0.0000584800000000, -0.0008255000000000, -0.0001775200000000 ] - [ -0.0030201900000000, 0.0002684800000000, -0.0046691300000000 ] - [ -0.0005022500000000, 0.0004572700000000, -0.0000829900000000 ] - [ -0.0009035500000000, -0.0007083800000000, 0.0008276800000000 ] - [ -0.0000289400000000, 0.0000392700000000, 0.0001603700000000 ] - [ -0.0002922200000000, 0.0008899200000000, -0.0002169300000000 ] - [ 0.0010045100000000, 0.0010240000000000, 0.0002871500000000 ] - [ 0.0000764300000000, -0.0015014200000000, 0.0003859500000000 ] - [ -0.0000881000000000, -0.0009410400000000, 0.0003716300000000 ] - [ -0.0001648800000000, -0.0008101600000000, -0.0000927500000000 ] - [ -0.0003015600000000, -0.0007288400000000, -0.0001172200000000 ] - [ -0.0041390200000000, -0.0026019000000000, -0.0019340100000000 ] - [ 0.0006040200000000, 0.0001510500000000, -0.0006327700000000 ] - [ -0.0001338300000000, -0.0011720200000000, -0.0000237600000000 ] - [ -0.0000704100000000, -0.0005032300000000, -0.0000068400000000 ] - [ -0.0000591600000000, 0.0021664200000000, 0.0001735500000000 ] - [ -0.0000360900000000, 0.0005209200000000, 0.0002011600000000 ] - [ -0.0009914700000000, -0.0011337600000000, -0.0002781500000000 ] - [ 0.0000347000000000, -0.0008637900000000, -0.0002353800000000 ] - [ 0.0004197600000000, -0.0004410500000000, 0.0000461600000000 ] - [ 0.0006048000000000, -0.0005453700000000, 0.0000971000000000 ] - [ 0.0004753100000000, -0.0009182100000000, -0.0001054900000000 ] - [ -0.0000860700000000, -0.0002410300000000, -0.0002016700000000 ] - [ 0.0001018600000000, -0.0000335500000000, 0.0003075200000000 ] - [ -0.0015246400000000, -0.0005142500000000, -0.0001377700000000 ] - [ 0.0012392400000000, -0.0058610000000000, 0.0068994700000000 ] - [ 0.0000249100000000, 0.0004682500000000, 0.0001180600000000 ] - [ -0.0010966000000000, 0.0029207700000000, -0.0024972800000000 ] - [ -0.0000991300000000, 0.0006670400000000, -0.0003950000000000 ] - [ 0.0065500100000000, -0.0079861600000000, -0.0064949200000000 ] - [ 0.0001819900000000, 0.0001777200000000, -0.0002866400000000 ] - [ 0.0012007000000000, -0.0008694100000000, 0.0003801900000000 ] - [ -0.0003051000000000, -0.0003147900000000, -0.0000348500000000 ] - [ 0.0007323700000000, -0.0016041900000000, -0.0010537400000000 ] - [ -0.0005668400000000, -0.0001093700000000, -0.0000320400000000 ] - [ -0.0011801500000000, -0.0017703600000000, 0.0001488800000000 ] - [ -0.0006499400000000, -0.0003950800000000, 0.0002970000000000 ] - [ -0.0003662300000000, -0.0005339100000000, -0.0008318800000000 ] - [ 0.0000930700000000, 0.0001122300000000, -0.0000121200000000 ] - [ 0.0003465600000000, -0.0017863800000000, -0.0002054800000000 ] - [ 0.0005010300000000, -0.0006797100000000, 0.0003912100000000 ] - [ -0.0005791900000000, 0.0002323400000000, -0.0004779500000000 ] - [ 0.0004272100000000, 0.0003979500000000, -0.0000216500000000 ] - [ -0.0002125700000000, -0.0002869000000000, -0.0003078100000000 ] - [ -0.0000251000000000, -0.0003696400000000, -0.0002582500000000 ] - [ -0.0050366500000000, 0.0357728600000000, 0.0032254000000000 ] - [ -0.0006667300000000, 0.0005674400000000, 0.0000441400000000 ] - [ -0.0001630900000000, -0.0005260800000000, 0.0000560000000000 ] - [ 0.0000446100000000, -0.0001882900000000, 0.0000760500000000 ] - [ 0.0006275000000000, -0.0004002100000000, -0.0000622100000000 ] - [ 0.0006609500000000, -0.0002489700000000, -0.0000564800000000 ] - [ -0.0003311700000000, -0.0007956100000000, 0.0006272300000000 ] - [ -0.0003600400000000, -0.0003591100000000, 0.0006282500000000 ] - [ 0.0002982300000000, -0.0008930500000000, 0.0001782900000000 ] - [ -0.0001457500000000, -0.0000984900000000, 0.0000219300000000 ] - [ -0.0003743400000000, -0.0005298300000000, 0.0004384300000000 ] - [ 0.0002864300000000, 0.0004698600000000, 0.0002018100000000 ] - [ 0.0009509500000000, -0.0012029900000000, 0.0010761500000000 ] - [ 0.0002297600000000, 0.0001501800000000, -0.0002803400000000 ] - [ -0.0000538800000000, -0.0006513400000000, -0.0006755900000000 ] - [ -0.0000600800000000, -0.0002868800000000, -0.0006594500000000 ] - [ 0.0051692600000000, -0.0010528200000000, -0.0066845800000000 ] - [ 0.0001097500000000, 0.0001547100000000, 0.0001183200000000 ] - [ 0.0001048100000000, -0.0003637600000000, 0.0002505900000000 ] - [ 0.0000042500000000, 0.0002260600000000, 0.0001928600000000 ] - [ 0.0014750200000000, -0.0008243200000000, -0.0001307900000000 ] - [ 0.0004745600000000, -0.0002789700000000, -0.0003887100000000 ] - [ 0.0023121800000000, 0.0002229200000000, 0.0066902700000000 ] - [ 0.0001255600000000, 0.0001565200000000, -0.0001470400000000 ] - [ -0.0008413200000000, -0.0001411500000000, 0.0001331700000000 ] - [ -0.0000296900000000, -0.0001657600000000, 0.0004108000000000 ] - [ 0.0002661300000000, -0.0014797900000000, -0.0002266500000000 ] - [ 0.0003535800000000, -0.0007749300000000, -0.0002240800000000 ] - [ 0.0007002200000000, 0.0002473700000000, 0.0000488000000000 ] - [ -0.0006902700000000, 0.0000186000000000, -0.0005344500000000 ] - [ -0.0000353300000000, -0.0000695100000000, 0.0002164900000000 ] - [ 0.0001710500000000, 0.0002825500000000, 0.0003067500000000 ] - [ -0.0004062600000000, -0.0004595300000000, -0.0002880300000000 ] - [ -0.0000062900000000, -0.0000732900000000, -0.0000608300000000 ] - [ -0.0042855000000000, 0.0005921200000000, 0.0025959000000000 ] - [ 0.0002319000000000, 0.0005158400000000, 0.0003056700000000 ] - [ 0.0009020500000000, 0.0015630000000000, -0.0002510000000000 ] - [ -0.0008247800000000, 0.0013032600000000, -0.0004797900000000 ] - [ -0.0001122100000000, -0.0007572200000000, 0.0001204400000000 ] - [ -0.0002554700000000, -0.0007422500000000, 0.0000764200000000 ] - [ 0.0008411800000000, -0.0002792900000000, 0.0001710600000000 ] - [ -0.0001327200000000, -0.0003992000000000, -0.0001408100000000 ] - [ -0.0006386500000000, -0.0007869000000000, 0.0002323200000000 ] - [ -0.0002071100000000, -0.0004085900000000, 0.0002378600000000 ] - [ -0.0024072100000000, 0.0026381000000000, 0.0024752800000000 ] - [ 0.0003575400000000, 0.0006194500000000, 0.0007436500000000 ] - [ 0.0000873100000000, -0.0003818600000000, -0.0001716800000000 ] - [ 0.0002390000000000, -0.0003030200000000, -0.0001305100000000 ] - [ -0.0005437200000000, 0.0012782700000000, -0.0003301400000000 ] - [ 0.0020070500000000, 0.0017646900000000, 0.0000977700000000 ] - [ 0.0002765500000000, -0.0005322400000000, 0.0004736600000000 ] - [ 0.0002823800000000, -0.0001736400000000, 0.0004564700000000 ]- atom: 93 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ 0.0005249900000000, 0.0003274500000000, -0.0029101200000000 ] - [ -0.0029268200000000, 0.0004690900000000, -0.0010614400000000 ] - [ 0.0010616800000000, 0.0004012800000000, -0.0034932000000000 ] - [ -0.0001173900000000, 0.0004438800000000, -0.0001776800000000 ] - [ -0.0010355500000000, 0.0007561500000000, 0.0040846300000000 ] - [ 0.0019086400000000, 0.0004299900000000, 0.0003824100000000 ] - [ 0.0010920500000000, 0.0001140600000000, -0.0034966100000000 ] - [ -0.0004060000000000, 0.0001880500000000, 0.0002761200000000 ] - [ -0.0004713900000000, -0.0000075900000000, 0.0001409900000000 ] - [ -0.0005792200000000, -0.0000638500000000, 0.0003387700000000 ] - [ -0.0013412200000000, -0.0001264200000000, 0.0069072400000000 ] - [ 0.0007023400000000, 0.0000747400000000, -0.0003148100000000 ] - [ -0.0000132500000000, 0.0007114800000000, 0.0000030700000000 ] - [ -0.0000413200000000, 0.0007250800000000, 0.0000690200000000 ] - [ 0.0001438300000000, 0.0002722700000000, -0.0001282200000000 ] - [ 0.0002954400000000, 0.0004088700000000, -0.0003225400000000 ] - [ -0.0001504500000000, 0.0003767900000000, 0.0002593400000000 ] - [ -0.0000063500000000, 0.0002786400000000, 0.0001566100000000 ] - [ -0.0001617600000000, 0.0005149800000000, -0.0004300000000000 ] - [ -0.0002364000000000, 0.0006176900000000, -0.0002829200000000 ] - [ 0.0001867500000000, 0.0003092700000000, 0.0003216000000000 ] - [ 0.0002153100000000, 0.0003144000000000, 0.0002594000000000 ] - [ -0.0010673400000000, 0.0005296600000000, 0.0050322100000000 ] - [ 0.0003801300000000, 0.0004481300000000, 0.0003125000000000 ] - [ 0.0012998400000000, 0.0026290700000000, 0.0004974100000000 ] - [ -0.0001810200000000, 0.0000480900000000, 0.0001677900000000 ] - [ -0.0084519700000000, 0.0040826800000000, 0.0352796900000000 ] - [ 0.0004632000000000, -0.0003695500000000, 0.0001764700000000 ] - [ -0.0020384100000000, -0.0032091800000000, -0.0001696300000000 ] - [ -0.0002996400000000, -0.0006630300000000, -0.0001227500000000 ] - [ 0.0004511200000000, -0.0003826000000000, -0.0001231600000000 ] - [ 0.0003914100000000, -0.0006976400000000, -0.0001246300000000 ] - [ 0.0005929300000000, -0.0002901000000000, 0.0003565700000000 ] - [ 0.0007004200000000, -0.0006742400000000, 0.0003490700000000 ] - [ -0.0025668300000000, 0.0013640500000000, -0.0002124700000000 ] - [ -0.0008290800000000, -0.0001198400000000, 0.0003233800000000 ] - [ -0.0004757000000000, -0.0003589700000000, -0.0001645900000000 ] - [ -0.0004854600000000, -0.0003522500000000, -0.0001571400000000 ] - [ -0.0080394300000000, -0.0033150100000000, 0.0283408400000000 ] - [ 0.0002696000000000, -0.0003534700000000, -0.0000796400000000 ] - [ 0.0009310500000000, -0.0005093100000000, -0.0004415300000000 ] - [ 0.0008582600000000, -0.0000704100000000, -0.0005220400000000 ] - [ 0.0001085800000000, -0.0003033600000000, 0.0000795800000000 ] - [ 0.0001553400000000, 0.0000369800000000, 0.0000910100000000 ] - [ -0.0003216900000000, -0.0003590200000000, 0.0000714200000000 ] - [ -0.0002892000000000, -0.0003418300000000, 0.0000660200000000 ] - [ 0.0011257300000000, -0.0021600900000000, -0.0002641100000000 ] - [ -0.0007764100000000, -0.0007284800000000, -0.0001593800000000 ] - [ 0.0028417700000000, 0.0040894800000000, 0.0041818000000000 ] - [ -0.0006028000000000, 0.0000307800000000, 0.0000295400000000 ] - [ -0.0001734900000000, -0.0010473800000000, 0.0002994500000000 ] - [ -0.0001427500000000, -0.0000310600000000, 0.0001296700000000 ] - [ 0.0010157000000000, 0.0004154400000000, 0.0000358100000000 ] - [ -0.0003367200000000, 0.0002020900000000, 0.0010588200000000 ] - [ -0.0000258600000000, -0.0005540100000000, 0.0003720200000000 ] - [ -0.0000125000000000, -0.0006130700000000, 0.0003704300000000 ] - [ -0.0001667500000000, -0.0002427400000000, -0.0001136400000000 ] - [ -0.0002041400000000, -0.0002191000000000, -0.0000993800000000 ] - [ 0.0009398600000000, -0.0000862100000000, -0.0027765200000000 ] - [ 0.0002289000000000, -0.0000696900000000, -0.0006557100000000 ] - [ -0.0001022100000000, -0.0003154500000000, 0.0001796900000000 ] - [ -0.0000509300000000, -0.0003353000000000, 0.0000041100000000 ] - [ -0.0014866400000000, 0.0001663900000000, 0.0055402900000000 ] - [ -0.0000488400000000, 0.0001653800000000, 0.0001860600000000 ] - [ -0.0005311500000000, -0.0008079300000000, -0.0004161000000000 ] - [ -0.0004260200000000, -0.0006398100000000, -0.0004535600000000 ] - [ 0.0005527200000000, 0.0000290100000000, 0.0000806100000000 ] - [ 0.0005620200000000, 0.0000322200000000, 0.0000573200000000 ] - [ 0.0000476400000000, 0.0003758700000000, -0.0001685800000000 ] - [ 0.0001684200000000, -0.0000205100000000, -0.0001586100000000 ] - [ -0.0005012300000000, 0.0003060600000000, 0.0002230700000000 ] - [ -0.0003520200000000, 0.0002024500000000, 0.0001045100000000 ] - [ 0.0014241300000000, -0.0071020400000000, 0.0033942300000000 ] - [ 0.0001156100000000, 0.0002209200000000, 0.0001487900000000 ] - [ 0.0052642600000000, 0.0030006800000000, 0.0082654200000000 ] - [ -0.0002365000000000, 0.0001291200000000, -0.0002191300000000 ] - [ -0.0034211600000000, 0.0085734100000000, 0.0017256400000000 ] - [ 0.0003410800000000, -0.0000961800000000, -0.0002680800000000 ] - [ 0.0002496500000000, -0.0003350700000000, -0.0008854500000000 ] - [ -0.0001123700000000, -0.0004666200000000, -0.0000422900000000 ] - [ -0.0003929800000000, 0.0002147400000000, -0.0001664800000000 ] - [ -0.0003728400000000, -0.0000828200000000, -0.0000346900000000 ] - [ -0.0006366000000000, -0.0003004800000000, 0.0000478800000000 ] - [ -0.0007098600000000, -0.0003091800000000, 0.0002793700000000 ] - [ 0.0000833700000000, 0.0010205100000000, 0.0000890600000000 ] - [ -0.0000153000000000, 0.0000602000000000, -0.0000310800000000 ] - [ 0.0006555200000000, -0.0002098000000000, 0.0005137000000000 ] - [ 0.0004179600000000, -0.0006370300000000, 0.0004032100000000 ] - [ 0.0000120000000000, 0.0006842900000000, -0.0001280100000000 ] - [ -0.0001831500000000, 0.0005500200000000, -0.0000742500000000 ] - [ -0.0000654800000000, 0.0001585900000000, -0.0002580800000000 ] - [ -0.0000915500000000, 0.0001560900000000, -0.0002405700000000 ] - [ 0.0317479500000000, -0.0045464700000000, -0.1170409800000000 ] - [ -0.0007234200000000, 0.0001861800000000, 0.0000431400000000 ] - [ -0.0001256800000000, 0.0001332800000000, 0.0000125800000000 ] - [ -0.0001142700000000, 0.0001891500000000, 0.0000030800000000 ] - [ 0.0006585500000000, 0.0001792100000000, -0.0000256600000000 ] - [ 0.0006660400000000, 0.0001757900000000, -0.0000557400000000 ] - [ -0.0003539600000000, -0.0001242900000000, 0.0007790300000000 ] - [ -0.0003075400000000, -0.0001260900000000, 0.0006409700000000 ] - [ 0.0001977400000000, -0.0004044600000000, 0.0000516000000000 ] - [ 0.0000175400000000, 0.0000707400000000, 0.0000786900000000 ] - [ -0.0000968500000000, 0.0002426100000000, 0.0001429600000000 ] - [ 0.0001137900000000, 0.0005436900000000, 0.0001178200000000 ] - [ 0.0004061900000000, -0.0000491200000000, -0.0002599800000000 ] - [ 0.0003835600000000, 0.0001633000000000, -0.0001919400000000 ] - [ -0.0000916400000000, 0.0000659900000000, -0.0006746800000000 ] - [ -0.0001032400000000, 0.0000330500000000, -0.0006761000000000 ] - [ -0.0079424000000000, 0.0089935800000000, 0.0084390200000000 ] - [ 0.0002461700000000, -0.0002237300000000, 0.0000435000000000 ] - [ 0.0000212100000000, 0.0005097900000000, 0.0002151400000000 ] - [ 0.0000179000000000, 0.0005470600000000, 0.0002166700000000 ] - [ 0.0004564300000000, -0.0002960200000000, 0.0007554600000000 ] - [ 0.0007527600000000, -0.0002542500000000, -0.0002672300000000 ] - [ 0.0050709200000000, -0.0072914700000000, 0.0099734600000000 ] - [ 0.0001902500000000, -0.0002073600000000, -0.0000314300000000 ] - [ -0.0006761100000000, -0.0005525200000000, 0.0014171600000000 ] - [ -0.0001518800000000, -0.0007243300000000, 0.0002605600000000 ] - [ 0.0003921900000000, -0.0005113500000000, -0.0003717500000000 ] - [ 0.0003435400000000, -0.0005128300000000, -0.0002218900000000 ] - [ 0.0008028900000000, -0.0008450000000000, -0.0001171600000000 ] - [ -0.0001212000000000, -0.0005507700000000, 0.0004251200000000 ] - [ 0.0000363100000000, 0.0006737200000000, 0.0002862000000000 ] - [ 0.0000181600000000, 0.0006124700000000, 0.0002896700000000 ] - [ -0.0000934000000000, 0.0003130000000000, -0.0001143700000000 ] - [ -0.0001336000000000, 0.0002054100000000, -0.0001242600000000 ] - [ -0.0053377600000000, -0.0035077200000000, 0.0020078700000000 ] - [ 0.0000983800000000, 0.0001548200000000, 0.0001432900000000 ] - [ -0.0008740800000000, 0.0007195700000000, -0.0003511500000000 ] - [ 0.0002618400000000, 0.0006161900000000, -0.0009606900000000 ] - [ -0.0002184200000000, -0.0001745900000000, 0.0001109800000000 ] - [ -0.0001931100000000, -0.0002014600000000, 0.0000932400000000 ] - [ 0.0004789500000000, -0.0001868100000000, 0.0000255300000000 ] - [ 0.0003633100000000, -0.0000485700000000, 0.0001280200000000 ] - [ -0.0003700900000000, -0.0001773700000000, 0.0002512100000000 ] - [ -0.0003445000000000, -0.0001110600000000, 0.0002308000000000 ] - [ -0.0096047900000000, -0.0030857500000000, 0.0056034900000000 ] - [ 0.0002072800000000, 0.0000150300000000, 0.0004824700000000 ] - [ 0.0001137500000000, 0.0001507700000000, -0.0001963100000000 ] - [ 0.0000931100000000, 0.0001589000000000, -0.0001723200000000 ] - [ -0.0007886700000000, 0.0004109400000000, -0.0006416600000000 ] - [ 0.0000720800000000, 0.0007000600000000, -0.0013883500000000 ] - [ 0.0002343200000000, 0.0001249000000000, 0.0004486500000000 ] - [ 0.0002353900000000, 0.0001453300000000, 0.0004514500000000 ]- atom: 93 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0009175300000000, 0.0003074700000000, 0.0024026300000000 ] - [ 0.0025120200000000, 0.0001678400000000, 0.0005619500000000 ] - [ -0.0008578700000000, 0.0003319300000000, 0.0032294400000000 ] - [ 0.0003287200000000, 0.0003035700000000, -0.0000861800000000 ] - [ 0.0010604000000000, 0.0007045100000000, -0.0042357400000000 ] - [ -0.0018451000000000, 0.0010265100000000, -0.0005338800000000 ] - [ -0.0015042600000000, 0.0004949700000000, 0.0041916700000000 ] - [ -0.0000033600000000, 0.0004010000000000, 0.0004173400000000 ] - [ -0.0005758800000000, 0.0000103700000000, 0.0005623900000000 ] - [ -0.0004683000000000, 0.0000672000000000, 0.0003660100000000 ] - [ 0.0023981100000000, 0.0001116300000000, -0.0076076300000000 ] - [ 0.0003455000000000, -0.0000688100000000, -0.0003857200000000 ] - [ -0.0000495200000000, 0.0007422200000000, 0.0001408200000000 ] - [ -0.0000215300000000, 0.0007290300000000, 0.0000748800000000 ] - [ 0.0002659600000000, 0.0003147000000000, -0.0005648700000000 ] - [ 0.0001146800000000, 0.0001778200000000, -0.0003705600000000 ] - [ -0.0000619100000000, 0.0003693800000000, 0.0000045100000000 ] - [ -0.0002025400000000, 0.0004688300000000, 0.0001066300000000 ] - [ -0.0002150800000000, 0.0005095800000000, -0.0000849700000000 ] - [ -0.0001390900000000, 0.0004055500000000, -0.0002304000000000 ] - [ 0.0002209200000000, 0.0003275600000000, 0.0001918300000000 ] - [ 0.0001920000000000, 0.0003229600000000, 0.0002540200000000 ] - [ 0.0014577400000000, 0.0005285600000000, -0.0045114300000000 ] - [ -0.0000037200000000, 0.0005748700000000, 0.0002055600000000 ] - [ -0.0016059300000000, -0.0025426900000000, -0.0006634400000000 ] - [ -0.0001154100000000, 0.0000241000000000, -0.0003501500000000 ] - [ 0.0087099600000000, -0.0041989800000000, -0.0319927000000000 ] - [ 0.0005178500000000, -0.0003390900000000, 0.0001670700000000 ] - [ 0.0012729700000000, 0.0018266700000000, 0.0004090400000000 ] - [ -0.0004745800000000, -0.0007276800000000, 0.0003804400000000 ] - [ 0.0003226800000000, -0.0010118700000000, -0.0001372400000000 ] - [ 0.0003825600000000, -0.0006956300000000, -0.0001353600000000 ] - [ 0.0008110600000000, -0.0010829300000000, 0.0003658800000000 ] - [ 0.0007043700000000, -0.0006973200000000, 0.0003689700000000 ] - [ 0.0008459400000000, -0.0015227700000000, 0.0012624400000000 ] - [ -0.0008962000000000, -0.0000381800000000, 0.0007295100000000 ] - [ -0.0005020300000000, -0.0003519400000000, -0.0001728300000000 ] - [ -0.0004915600000000, -0.0003609000000000, -0.0001806000000000 ] - [ 0.0094754700000000, 0.0031599500000000, -0.0312265600000000 ] - [ 0.0003229000000000, -0.0003276500000000, -0.0000598600000000 ] - [ 0.0007953800000000, 0.0003440600000000, -0.0006214700000000 ] - [ 0.0008674600000000, -0.0000944600000000, -0.0005360500000000 ] - [ 0.0001910400000000, 0.0003806900000000, 0.0001133800000000 ] - [ 0.0001432900000000, 0.0000389600000000, 0.0001011000000000 ] - [ -0.0002742300000000, -0.0003300700000000, 0.0000791900000000 ] - [ -0.0003076400000000, -0.0003453900000000, 0.0000862900000000 ] - [ -0.0025329700000000, 0.0007899200000000, -0.0004585900000000 ] - [ -0.0006277700000000, -0.0006422600000000, -0.0005661500000000 ] - [ -0.0039298500000000, -0.0039951300000000, -0.0043353600000000 ] - [ -0.0005182400000000, 0.0000361900000000, -0.0001924800000000 ] - [ -0.0001605100000000, 0.0010115500000000, -0.0000489400000000 ] - [ -0.0001934400000000, -0.0000017000000000, 0.0001280600000000 ] - [ -0.0007884200000000, -0.0000432500000000, -0.0000507600000000 ] - [ 0.0005750400000000, 0.0001715700000000, -0.0010763600000000 ] - [ -0.0000045800000000, -0.0006679500000000, 0.0003791200000000 ] - [ -0.0000172500000000, -0.0006092900000000, 0.0003802100000000 ] - [ -0.0002241700000000, -0.0001916000000000, -0.0001324000000000 ] - [ -0.0001869500000000, -0.0002154100000000, -0.0001468900000000 ] - [ -0.0002878600000000, -0.0001445700000000, 0.0015067800000000 ] - [ 0.0003961600000000, -0.0001865800000000, -0.0006199500000000 ] - [ -0.0000265600000000, -0.0003841600000000, -0.0001768700000000 ] - [ -0.0000772600000000, -0.0003621900000000, -0.0000012700000000 ] - [ 0.0012837200000000, 0.0001421700000000, -0.0052004300000000 ] - [ -0.0001580300000000, 0.0001305000000000, 0.0001529700000000 ] - [ -0.0003227600000000, -0.0004611100000000, -0.0003071300000000 ] - [ -0.0004305600000000, -0.0006284000000000, -0.0002675500000000 ] - [ 0.0005664700000000, 0.0000370000000000, 0.0000832000000000 ] - [ 0.0005566800000000, 0.0000338500000000, 0.0001065600000000 ] - [ 0.0002884900000000, -0.0004072800000000, -0.0000879900000000 ] - [ 0.0001670900000000, -0.0000116200000000, -0.0000975600000000 ] - [ -0.0002831300000000, 0.0000440200000000, 0.0002475900000000 ] - [ -0.0004347900000000, 0.0001462800000000, 0.0003657700000000 ] - [ -0.0011717600000000, 0.0075745800000000, -0.0031244700000000 ] - [ 0.0001496900000000, 0.0002006900000000, 0.0001203900000000 ] - [ -0.0058211300000000, -0.0027436300000000, -0.0092652700000000 ] - [ -0.0002399300000000, 0.0001625900000000, -0.0006828100000000 ] - [ 0.0041036200000000, -0.0087267700000000, -0.0022131500000000 ] - [ 0.0003546100000000, -0.0001152100000000, -0.0002053600000000 ] - [ -0.0001207000000000, -0.0003644800000000, 0.0008846500000000 ] - [ 0.0002407700000000, -0.0002300500000000, 0.0000421800000000 ] - [ -0.0003830900000000, -0.0003544600000000, 0.0001998600000000 ] - [ -0.0003976900000000, -0.0000587400000000, 0.0000580300000000 ] - [ -0.0007620300000000, -0.0002884900000000, 0.0005171900000000 ] - [ -0.0006909800000000, -0.0002860200000000, 0.0002849400000000 ] - [ -0.0001534100000000, -0.0008705600000000, -0.0001894000000000 ] - [ -0.0000520200000000, 0.0000926600000000, -0.0000751200000000 ] - [ 0.0002011100000000, -0.0010578500000000, 0.0002050800000000 ] - [ 0.0004376400000000, -0.0006315100000000, 0.0003189000000000 ] - [ -0.0002243800000000, 0.0004056400000000, -0.0001835400000000 ] - [ -0.0000284200000000, 0.0005378800000000, -0.0002393000000000 ] - [ -0.0000961100000000, 0.0001502000000000, -0.0002635600000000 ] - [ -0.0000704500000000, 0.0001526300000000, -0.0002813800000000 ] - [ -0.0332518700000000, 0.0038503900000000, 0.1168504200000000 ] - [ -0.0006059700000000, 0.0001626000000000, 0.0000712100000000 ] - [ -0.0001066300000000, 0.0002417500000000, 0.0000092400000000 ] - [ -0.0001179300000000, 0.0001855200000000, 0.0000185900000000 ] - [ 0.0006713000000000, 0.0001702400000000, -0.0000874500000000 ] - [ 0.0006632800000000, 0.0001734600000000, -0.0000572500000000 ] - [ -0.0002716000000000, -0.0001309100000000, 0.0005001300000000 ] - [ -0.0003181400000000, -0.0001295500000000, 0.0006381800000000 ] - [ -0.0001302500000000, 0.0005581800000000, 0.0000574500000000 ] - [ 0.0000504500000000, 0.0000818400000000, 0.0000294100000000 ] - [ 0.0003084800000000, 0.0008487600000000, 0.0001755300000000 ] - [ 0.0000984200000000, 0.0005466500000000, 0.0001979400000000 ] - [ 0.0003796300000000, 0.0003999300000000, -0.0002207200000000 ] - [ 0.0004017900000000, 0.0001854600000000, -0.0002780200000000 ] - [ -0.0001092300000000, 0.0000004900000000, -0.0006752300000000 ] - [ -0.0000980500000000, 0.0000332000000000, -0.0006736600000000 ] - [ 0.0084607300000000, -0.0095652500000000, -0.0082892400000000 ] - [ 0.0001455100000000, -0.0002115200000000, 0.0002046700000000 ] - [ 0.0000150700000000, 0.0005883100000000, 0.0002062800000000 ] - [ 0.0000184800000000, 0.0005505800000000, 0.0002055500000000 ] - [ 0.0009437400000000, -0.0002969600000000, -0.0013186500000000 ] - [ 0.0006483500000000, -0.0003401400000000, -0.0002957800000000 ] - [ -0.0045935800000000, 0.0067937300000000, -0.0100837000000000 ] - [ 0.0002030100000000, -0.0001948800000000, -0.0001968600000000 ] - [ -0.0000337200000000, -0.0004924800000000, -0.0009788000000000 ] - [ -0.0005537200000000, -0.0003148500000000, 0.0001760100000000 ] - [ 0.0003151300000000, -0.0005265400000000, -0.0000652300000000 ] - [ 0.0003635400000000, -0.0005248400000000, -0.0002153300000000 ] - [ -0.0007744600000000, -0.0003763500000000, -0.0006282900000000 ] - [ 0.0001547700000000, -0.0006716500000000, -0.0011734700000000 ] - [ 0.0000043300000000, 0.0005503000000000, 0.0002730400000000 ] - [ 0.0000225800000000, 0.0006113200000000, 0.0002698200000000 ] - [ -0.0001689200000000, 0.0001089500000000, -0.0001527600000000 ] - [ -0.0001288100000000, 0.0002161900000000, -0.0001436500000000 ] - [ 0.0055315000000000, 0.0038409300000000, -0.0014739900000000 ] - [ 0.0000662500000000, 0.0001510800000000, 0.0003814200000000 ] - [ 0.0008380900000000, 0.0003797200000000, -0.0000736600000000 ] - [ -0.0003002900000000, 0.0004803300000000, 0.0005396800000000 ] - [ -0.0001767200000000, -0.0002260600000000, 0.0001185300000000 ] - [ -0.0002025800000000, -0.0001994100000000, 0.0001361100000000 ] - [ 0.0002929800000000, 0.0000459500000000, -0.0000458900000000 ] - [ 0.0004104700000000, -0.0000911100000000, -0.0001485800000000 ] - [ -0.0003261000000000, -0.0000335800000000, 0.0002228700000000 ] - [ -0.0003523600000000, -0.0000999500000000, 0.0002438200000000 ] - [ 0.0096814500000000, 0.0031137800000000, -0.0042049900000000 ] - [ -0.0000070600000000, 0.0000500400000000, 0.0008686800000000 ] - [ 0.0000930600000000, 0.0001458200000000, -0.0001403700000000 ] - [ 0.0001131100000000, 0.0001374200000000, -0.0001643000000000 ] - [ 0.0007461200000000, 0.0008106700000000, 0.0000772700000000 ] - [ -0.0001270900000000, 0.0005257900000000, 0.0008288300000000 ] - [ 0.0002425800000000, 0.0001657700000000, 0.0004556800000000 ] - [ 0.0002412600000000, 0.0001451200000000, 0.0004527100000000 ]- atom: 107 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0001432800000000, 0.0003188600000000, -0.0002186700000000 ] - [ -0.0003334500000000, 0.0005096600000000, -0.0002981900000000 ] - [ 0.0007002400000000, 0.0012467400000000, -0.0001289700000000 ] - [ -0.0004880100000000, -0.0000515800000000, -0.0003106600000000 ] - [ 0.0002117300000000, 0.0006326400000000, -0.0000464900000000 ] - [ -0.0001919700000000, 0.0009673300000000, -0.0001245000000000 ] - [ 0.0002740600000000, -0.0000003700000000, 0.0004367200000000 ] - [ -0.0006715700000000, 0.0006281500000000, 0.0002176100000000 ] - [ -0.0021164300000000, -0.0038537700000000, 0.0028424200000000 ] - [ -0.0035842500000000, 0.0016472200000000, -0.0004884800000000 ] - [ 0.0010523200000000, -0.0001939200000000, -0.0001922200000000 ] - [ 0.0000267500000000, 0.0002827400000000, -0.0004725400000000 ] - [ 0.0057293300000000, -0.0008419600000000, -0.0015809600000000 ] - [ -0.0018270300000000, 0.0006953000000000, -0.0003894700000000 ] - [ 0.0000745500000000, -0.0023521800000000, -0.0022948000000000 ] - [ -0.0009662300000000, 0.0014529200000000, -0.0004332200000000 ] - [ -0.0007628600000000, 0.0024677800000000, -0.0006323900000000 ] - [ -0.0008392400000000, -0.0008341700000000, 0.0002381900000000 ] - [ -0.0009908600000000, 0.0025547800000000, 0.0002649400000000 ] - [ -0.0012248800000000, -0.0007395000000000, -0.0008120200000000 ] - [ 0.0041959500000000, -0.0013502500000000, 0.0021047200000000 ] - [ -0.0028797300000000, 0.0005684700000000, -0.0005376600000000 ] - [ 0.0007830300000000, 0.0019195200000000, 0.0005284700000000 ] - [ -0.0005924300000000, 0.0000187500000000, 0.0000647300000000 ] - [ 0.0002663700000000, 0.0005701200000000, -0.0000137200000000 ] - [ -0.0005553400000000, -0.0001699900000000, -0.0001725700000000 ] - [ 0.0009530900000000, -0.0002384300000000, 0.0003114800000000 ] - [ 0.0000987700000000, -0.0003115800000000, 0.0000618200000000 ] - [ 0.0000115800000000, -0.0003386000000000, 0.0002714900000000 ] - [ -0.0007692900000000, -0.0008468500000000, -0.0000028300000000 ] - [ 0.0023262700000000, -0.0001773100000000, 0.0026361500000000 ] - [ -0.0010191800000000, -0.0009948100000000, -0.0007159700000000 ] - [ 0.0040806100000000, -0.0014930200000000, 0.0007787800000000 ] - [ -0.0003666900000000, -0.0005271500000000, 0.0001321000000000 ] - [ -0.0001784400000000, -0.0004774500000000, 0.0007821200000000 ] - [ -0.0015045900000000, 0.0003821300000000, 0.0002793200000000 ] - [ 0.0362152200000000, -0.0157764400000000, 0.0040749500000000 ] - [ -0.0025761600000000, -0.0007228900000000, -0.0005603600000000 ] - [ 0.0007189400000000, -0.0002098300000000, 0.0000347700000000 ] - [ -0.0000842100000000, -0.0002979400000000, -0.0001677200000000 ] - [ 0.0026834000000000, -0.0005899400000000, 0.0001065900000000 ] - [ -0.0001747600000000, 0.0000776000000000, -0.0008470300000000 ] - [ 0.0131827100000000, -0.0061026100000000, 0.0016322100000000 ] - [ -0.0014043500000000, -0.0002881800000000, -0.0001112900000000 ] - [ 0.0012121900000000, -0.0002906100000000, 0.0016191600000000 ] - [ -0.0018214000000000, -0.0007063800000000, -0.0005263800000000 ] - [ -0.0002491300000000, -0.0018946500000000, -0.0001918400000000 ] - [ -0.0014030100000000, -0.0001592400000000, -0.0004722200000000 ] - [ -0.0006780400000000, -0.0002470400000000, -0.0000930600000000 ] - [ -0.0004087800000000, 0.0001206700000000, -0.0000464300000000 ] - [ -0.0006946100000000, -0.0001487500000000, -0.0000075200000000 ] - [ 0.0002020200000000, -0.0000573800000000, 0.0002394100000000 ] - [ 0.0001158800000000, 0.0000710400000000, -0.0000212400000000 ] - [ 0.0001314800000000, 0.0002116500000000, 0.0000035100000000 ] - [ -0.0005686100000000, 0.0011472600000000, -0.0004587800000000 ] - [ 0.0006786500000000, -0.0008599700000000, 0.0007626300000000 ] - [ -0.0001035400000000, 0.0004942200000000, -0.0004538700000000 ] - [ 0.0006310300000000, -0.0001878400000000, 0.0005826500000000 ] - [ 0.0000775200000000, -0.0002535000000000, -0.0006706700000000 ] - [ 0.0005246000000000, -0.0001010400000000, -0.0005914800000000 ] - [ -0.0009642100000000, 0.0001164300000000, -0.0002000700000000 ] - [ 0.0003617800000000, -0.0004842400000000, 0.0001340700000000 ] - [ -0.0003538900000000, 0.0000117000000000, 0.0000952600000000 ] - [ 0.0000996800000000, 0.0001841900000000, 0.0002249900000000 ] - [ -0.0005145900000000, -0.0014022400000000, -0.0003657700000000 ] - [ -0.0001783500000000, -0.0001955600000000, -0.0003114000000000 ] - [ 0.0021968200000000, -0.0015582100000000, 0.0005325100000000 ] - [ 0.0021078900000000, 0.0013939100000000, 0.0005172100000000 ] - [ -0.0010027400000000, 0.0034242300000000, 0.0000506600000000 ] - [ 0.0009546300000000, -0.0001421200000000, -0.0000112200000000 ] - [ -0.0000432100000000, 0.0010719200000000, 0.0003648500000000 ] - [ -0.0000600800000000, -0.0005260800000000, 0.0001451800000000 ] - [ -0.0003023900000000, 0.0001949100000000, -0.0000580300000000 ] - [ 0.0004870000000000, 0.0001363900000000, 0.0002799200000000 ] - [ -0.0004518900000000, 0.0000658300000000, -0.0005201300000000 ] - [ -0.0000462500000000, 0.0001362600000000, -0.0003871400000000 ] - [ -0.0002019700000000, -0.0000075300000000, -0.0003140700000000 ] - [ 0.0007234000000000, -0.0001932000000000, -0.0001871800000000 ] - [ -0.0002110000000000, 0.0001791100000000, 0.0001170700000000 ] - [ 0.0003397600000000, -0.0006982200000000, 0.0000545900000000 ] - [ -0.0006730300000000, 0.0003418700000000, -0.0000620900000000 ] - [ 0.0001022300000000, -0.0004408100000000, 0.0001265300000000 ] - [ -0.0016113300000000, -0.0001692700000000, 0.0000707700000000 ] - [ -0.0002627800000000, -0.0003241900000000, 0.0003904600000000 ] - [ -0.0004754100000000, 0.0000290300000000, -0.0001739900000000 ] - [ 0.0003311500000000, 0.0000404300000000, 0.0000396000000000 ] - [ -0.0002156000000000, -0.0019506500000000, 0.0005609400000000 ] - [ 0.0008492000000000, -0.0004810900000000, 0.0004157700000000 ] - [ -0.0001425500000000, -0.0000221600000000, -0.0001332000000000 ] - [ 0.0000022000000000, 0.0009317300000000, -0.0001202400000000 ] - [ 0.0007599600000000, -0.0003649700000000, -0.0001423400000000 ] - [ 0.0005125500000000, 0.0006937200000000, 0.0001511600000000 ] - [ -0.0008669600000000, 0.0001269800000000, 0.0000122900000000 ] - [ -0.0004847700000000, 0.0001334300000000, 0.0001019500000000 ] - [ -0.0001807900000000, -0.0007091800000000, -0.0009316800000000 ] - [ 0.0007723000000000, 0.0003461900000000, 0.0006789200000000 ] - [ 0.0070953100000000, -0.0023307300000000, -0.0082652100000000 ] - [ 0.0015866500000000, 0.0004297300000000, 0.0002999800000000 ] - [ -0.0037764300000000, 0.0007001300000000, -0.0012296300000000 ] - [ 0.0005598600000000, 0.0000303900000000, 0.0008878700000000 ] - [ -0.0011074100000000, 0.0000659700000000, -0.0004486700000000 ] - [ 0.0007268700000000, 0.0000186600000000, 0.0002925000000000 ] - [ -0.0000175300000000, -0.0001358800000000, -0.0003740800000000 ] - [ 0.0006140800000000, 0.0008316000000000, 0.0003592800000000 ] - [ 0.0001284700000000, 0.0008849500000000, -0.0003029500000000 ] - [ 0.0008516600000000, -0.0001616100000000, -0.0001146800000000 ] - [ -0.0857135600000000, 0.0369329500000000, -0.0092628000000000 ] - [ 0.0010245100000000, -0.0000009300000000, -0.0005306600000000 ] - [ 0.0000449500000000, -0.0001972500000000, 0.0001030700000000 ] - [ 0.0003475100000000, -0.0003189600000000, 0.0001457700000000 ] - [ 0.0012824300000000, 0.0069032100000000, 0.0016557200000000 ] - [ 0.0008185100000000, 0.0002668800000000, 0.0001936000000000 ] - [ 0.0003498100000000, 0.0001710900000000, -0.0006076600000000 ] - [ 0.0010857500000000, -0.0006510400000000, -0.0001594300000000 ] - [ 0.0000521400000000, -0.0001990200000000, -0.0001651000000000 ] - [ 0.0003330700000000, -0.0002818500000000, -0.0000652600000000 ] - [ -0.0004683600000000, -0.0007697100000000, 0.0001527300000000 ] - [ -0.0002123700000000, -0.0004071400000000, 0.0002657400000000 ] - [ 0.0017559400000000, -0.0061085200000000, -0.0049649400000000 ] - [ 0.0010851000000000, -0.0001913000000000, -0.0000390200000000 ] - [ -0.0000245500000000, -0.0004395700000000, -0.0003791500000000 ] - [ 0.0001122300000000, -0.0008504800000000, -0.0003448000000000 ] - [ 0.0154608800000000, -0.0064283100000000, 0.0087952900000000 ] - [ 0.0012234200000000, 0.0007990400000000, 0.0001912800000000 ] - [ -0.0012439700000000, -0.0006307500000000, -0.0006687700000000 ] - [ 0.0005674900000000, 0.0004278300000000, 0.0001239900000000 ] - [ -0.0000088900000000, -0.0000856100000000, 0.0002238200000000 ] - [ 0.0002226400000000, 0.0002430100000000, 0.0003053500000000 ] - [ -0.0000634200000000, 0.0007861700000000, -0.0002227000000000 ] - [ 0.0000890300000000, 0.0002936400000000, -0.0001893900000000 ] - [ 0.0069983300000000, 0.0021576200000000, 0.0021235200000000 ] - [ 0.0015437500000000, -0.0006080500000000, 0.0001671800000000 ] - [ 0.0005438700000000, 0.0006298300000000, -0.0000879800000000 ] - [ 0.0005431600000000, -0.0007371700000000, 0.0002416600000000 ] - [ -0.0016733200000000, -0.0043793500000000, -0.0005634600000000 ] - [ 0.0005151600000000, 0.0001508400000000, 0.0004128700000000 ] - [ -0.0001178400000000, -0.0000497500000000, 0.0006262800000000 ] - [ 0.0003004300000000, 0.0000244300000000, 0.0007174300000000 ] - [ 0.0004015600000000, -0.0031404800000000, 0.0048895000000000 ] - [ 0.0007943100000000, 0.0002943200000000, -0.0001193800000000 ] - [ 0.0000021600000000, 0.0004816400000000, -0.0002659600000000 ] - [ -0.0000189800000000, 0.0006400500000000, -0.0002873500000000 ] - [ -0.0021822500000000, 0.0006393000000000, -0.0014598700000000 ] - [ 0.0012251600000000, 0.0001131400000000, 0.0008776100000000 ]- atom: 107 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ -0.0002651800000000, 0.0003194900000000, -0.0002941300000000 ] - [ -0.0000723100000000, 0.0001285000000000, -0.0002139600000000 ] - [ -0.0004834400000000, -0.0005041100000000, -0.0001312300000000 ] - [ 0.0006963800000000, 0.0008002800000000, 0.0000464600000000 ] - [ -0.0001510100000000, 0.0008197600000000, -0.0000970800000000 ] - [ 0.0002563700000000, 0.0004865400000000, -0.0000178300000000 ] - [ -0.0006826200000000, 0.0005882800000000, 0.0002574800000000 ] - [ 0.0002605200000000, -0.0000417700000000, 0.0004755100000000 ] - [ 0.0010556700000000, 0.0038793600000000, -0.0021557700000000 ] - [ 0.0025298200000000, -0.0016327100000000, 0.0011888300000000 ] - [ -0.0000021300000000, 0.0001971600000000, -0.0005095800000000 ] - [ 0.0010207300000000, -0.0002799200000000, -0.0002294300000000 ] - [ -0.0057445300000000, 0.0023330000000000, 0.0018042600000000 ] - [ 0.0017635400000000, 0.0007583700000000, 0.0005317600000000 ] - [ 0.0003190500000000, 0.0029515300000000, 0.0016026100000000 ] - [ 0.0013819200000000, -0.0008590800000000, -0.0002568100000000 ] - [ 0.0005469700000000, -0.0017216800000000, 0.0008962900000000 ] - [ 0.0006283300000000, 0.0015764800000000, 0.0000305900000000 ] - [ 0.0006092900000000, -0.0015370900000000, -0.0007820000000000 ] - [ 0.0008511000000000, 0.0017580400000000, 0.0002922700000000 ] - [ -0.0033418500000000, 0.0020852700000000, -0.0018094800000000 ] - [ 0.0032963400000000, 0.0000674400000000, 0.0010531400000000 ] - [ -0.0004002300000000, -0.0009006300000000, -0.0000127100000000 ] - [ 0.0009665500000000, 0.0010058600000000, 0.0004510900000000 ] - [ -0.0005702400000000, -0.0004949800000000, -0.0001713200000000 ] - [ 0.0002541800000000, 0.0002414200000000, -0.0000112000000000 ] - [ 0.0000283200000000, -0.0004747900000000, 0.0000358300000000 ] - [ 0.0008812800000000, -0.0003982700000000, 0.0002845400000000 ] - [ -0.0007835700000000, -0.0010559500000000, -0.0000137200000000 ] - [ -0.0000011800000000, -0.0005477500000000, 0.0002610000000000 ] - [ -0.0015441000000000, -0.0012156400000000, -0.0028786800000000 ] - [ 0.0017927100000000, -0.0003954300000000, 0.0004552900000000 ] - [ -0.0026661600000000, 0.0001345100000000, -0.0000573800000000 ] - [ 0.0017698600000000, -0.0008456100000000, 0.0005874600000000 ] - [ -0.0015500000000000, 0.0003165600000000, 0.0002700100000000 ] - [ -0.0002181600000000, -0.0005370400000000, 0.0007730100000000 ] - [ -0.0394126500000000, 0.0165483400000000, -0.0048234800000000 ] - [ 0.0015949900000000, 0.0000087300000000, 0.0002182200000000 ] - [ -0.0001266200000000, -0.0004757300000000, -0.0001749300000000 ] - [ 0.0006757100000000, -0.0003854100000000, 0.0000273900000000 ] - [ -0.0009542700000000, 0.0004239300000000, -0.0011635800000000 ] - [ 0.0019005400000000, -0.0002451100000000, -0.0002116400000000 ] - [ -0.0128802700000000, 0.0059760400000000, -0.0014096700000000 ] - [ 0.0017041200000000, 0.0003708300000000, 0.0003009500000000 ] - [ -0.0018144400000000, -0.0003944900000000, -0.0014844900000000 ] - [ 0.0012271300000000, 0.0000151700000000, 0.0006772400000000 ] - [ -0.0011666600000000, 0.0005103400000000, -0.0005363000000000 ] - [ -0.0000001200000000, -0.0012069200000000, -0.0002558100000000 ] - [ -0.0004422900000000, 0.0003141000000000, -0.0000703200000000 ] - [ -0.0007089000000000, -0.0000557500000000, -0.0001162400000000 ] - [ 0.0003584800000000, 0.0001152600000000, 0.0002647200000000 ] - [ -0.0005377100000000, 0.0000258700000000, 0.0000178600000000 ] - [ 0.0001166300000000, 0.0003035900000000, 0.0000008200000000 ] - [ 0.0000997500000000, 0.0001626800000000, -0.0000243500000000 ] - [ 0.0005363700000000, -0.0023620700000000, 0.0011928800000000 ] - [ -0.0007079800000000, -0.0003610600000000, -0.0000140600000000 ] - [ -0.0002850300000000, -0.0009326100000000, 0.0002102600000000 ] - [ -0.0010223900000000, -0.0002472200000000, -0.0008263600000000 ] - [ 0.0005488000000000, -0.0000021700000000, -0.0006071200000000 ] - [ 0.0001011700000000, -0.0001544800000000, -0.0006865600000000 ] - [ 0.0008355900000000, -0.0008167600000000, 0.0002000800000000 ] - [ -0.0004893500000000, -0.0002117400000000, -0.0001315300000000 ] - [ 0.0001483600000000, 0.0002847900000000, 0.0002426700000000 ] - [ -0.0003047500000000, 0.0001108400000000, 0.0001133400000000 ] - [ -0.0003391600000000, 0.0001334400000000, -0.0003550300000000 ] - [ -0.0006773900000000, -0.0010717700000000, -0.0004100000000000 ] - [ -0.0010815300000000, 0.0016344300000000, -0.0003711300000000 ] - [ -0.0009810000000000, -0.0013170900000000, -0.0003470000000000 ] - [ 0.0013687200000000, -0.0034353100000000, -0.0003014800000000 ] - [ -0.0006184300000000, 0.0001075300000000, -0.0002464600000000 ] - [ -0.0007350300000000, -0.0007242100000000, 0.0001069000000000 ] - [ -0.0007281100000000, 0.0008736800000000, 0.0003234400000000 ] - [ 0.0005670400000000, 0.0002281600000000, 0.0003267900000000 ] - [ -0.0002221400000000, 0.0002840000000000, -0.0000111100000000 ] - [ -0.0000251800000000, 0.0002258100000000, -0.0003822200000000 ] - [ -0.0004316300000000, 0.0001547900000000, -0.0005154300000000 ] - [ 0.0008981100000000, -0.0002008000000000, -0.0001600900000000 ] - [ -0.0000268600000000, -0.0000192600000000, -0.0002874800000000 ] - [ 0.0003423000000000, -0.0008751600000000, -0.0001166100000000 ] - [ -0.0002126300000000, -0.0000000600000000, -0.0000567800000000 ] - [ -0.0000987800000000, -0.0004817900000000, 0.0000842600000000 ] - [ -0.0008720100000000, 0.0003008600000000, -0.0001036100000000 ] - [ 0.0002094900000000, -0.0004269900000000, 0.0004948700000000 ] - [ -0.0011373300000000, -0.0002689900000000, 0.0001732200000000 ] - [ 0.0004077300000000, 0.0001243700000000, 0.0000668000000000 ] - [ -0.0003990300000000, 0.0001138400000000, -0.0001467300000000 ] - [ 0.0010627900000000, 0.0006917500000000, 0.0001592800000000 ] - [ 0.0000082600000000, -0.0007895300000000, 0.0003063000000000 ] - [ -0.0000692400000000, 0.0011129200000000, -0.0001813500000000 ] - [ -0.0002152800000000, 0.0001591000000000, -0.0001949000000000 ] - [ -0.0009215800000000, 0.0006745500000000, -0.0003776900000000 ] - [ -0.0006826500000000, -0.0003882300000000, -0.0006755200000000 ] - [ -0.0004623800000000, 0.0002226100000000, 0.0001016700000000 ] - [ -0.0008439200000000, 0.0002149000000000, 0.0000119000000000 ] - [ -0.0000564800000000, 0.0010749600000000, 0.0009349900000000 ] - [ -0.0010033900000000, 0.0000260500000000, -0.0006612800000000 ] - [ -0.0058420200000000, 0.0027219300000000, 0.0082600600000000 ] - [ -0.0002566100000000, -0.0000801200000000, -0.0004115800000000 ] - [ 0.0031704200000000, -0.0009112200000000, 0.0024347300000000 ] - [ -0.0011847400000000, -0.0002875400000000, 0.0003910100000000 ] - [ 0.0011823600000000, 0.0000902300000000, 0.0005556900000000 ] - [ -0.0006593900000000, 0.0001319400000000, -0.0001843600000000 ] - [ 0.0002251700000000, 0.0012281300000000, 0.0006856800000000 ] - [ -0.0004001200000000, 0.0002563500000000, -0.0000440100000000 ] - [ 0.0006563000000000, -0.0005341400000000, -0.0001677100000000 ] - [ -0.0000646300000000, 0.0005126900000000, -0.0003556200000000 ] - [ 0.0870371100000000, -0.0382025800000000, 0.0082328200000000 ] - [ -0.0012257800000000, 0.0000660800000000, -0.0008191000000000 ] - [ 0.0003468000000000, -0.0002375200000000, 0.0001446400000000 ] - [ 0.0000449700000000, -0.0001161600000000, 0.0001022400000000 ] - [ -0.0012473700000000, -0.0057539200000000, -0.0012171800000000 ] - [ -0.0007823400000000, 0.0008321100000000, 0.0002293700000000 ] - [ 0.0010553200000000, -0.0007626700000000, 0.0000433400000000 ] - [ 0.0003144600000000, 0.0000549000000000, -0.0004039500000000 ] - [ 0.0003425400000000, -0.0002018500000000, -0.0000637000000000 ] - [ 0.0000630500000000, -0.0001192800000000, -0.0001632100000000 ] - [ -0.0002382600000000, -0.0002683300000000, 0.0002850900000000 ] - [ -0.0004950900000000, -0.0006307800000000, 0.0001721300000000 ] - [ -0.0010658800000000, 0.0050266100000000, 0.0045022500000000 ] - [ -0.0003784400000000, -0.0008495100000000, -0.0003989800000000 ] - [ 0.0000575000000000, -0.0007828100000000, -0.0003700000000000 ] - [ -0.0000823300000000, -0.0003724900000000, -0.0004051700000000 ] - [ -0.0151303000000000, 0.0074908800000000, -0.0080426700000000 ] - [ -0.0011823400000000, 0.0004218800000000, 0.0003707500000000 ] - [ 0.0009841400000000, 0.0010529000000000, 0.0004013000000000 ] - [ -0.0008303800000000, -0.0000060400000000, -0.0003929800000000 ] - [ 0.0001691700000000, 0.0003948800000000, 0.0002993900000000 ] - [ -0.0000600900000000, 0.0000643800000000, 0.0002185900000000 ] - [ 0.0000288400000000, 0.0003120800000000, -0.0001975700000000 ] - [ -0.0001263600000000, 0.0008034500000000, -0.0002315600000000 ] - [ -0.0074897500000000, -0.0025863300000000, -0.0019251900000000 ] - [ -0.0019325000000000, 0.0002006300000000, 0.0000618500000000 ] - [ 0.0002313700000000, -0.0007728100000000, 0.0000668900000000 ] - [ 0.0002255300000000, 0.0005926400000000, -0.0002628400000000 ] - [ 0.0009978900000000, 0.0041533600000000, 0.0010364300000000 ] - [ -0.0012105500000000, -0.0003608000000000, 0.0000622700000000 ] - [ 0.0003205200000000, 0.0001160600000000, 0.0007249500000000 ] - [ -0.0000986400000000, 0.0000412700000000, 0.0006337000000000 ] - [ -0.0001726000000000, 0.0034424900000000, -0.0052330800000000 ] - [ -0.0005879700000000, 0.0000019300000000, -0.0002202600000000 ] - [ -0.0000432100000000, 0.0007418200000000, -0.0002930700000000 ] - [ -0.0000231900000000, 0.0005836100000000, -0.0002716500000000 ] - [ 0.0026562900000000, -0.0003573300000000, 0.0023618300000000 ] - [ -0.0007485700000000, 0.0001760700000000, 0.0000248100000000 ]- atom: 107 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002541100000000, -0.0008308500000000, -0.0002308300000000 ] - [ -0.0000496400000000, -0.0007051100000000, -0.0001981200000000 ] - [ 0.0006315600000000, -0.0012714100000000, 0.0005125900000000 ] - [ -0.0002270600000000, -0.0000603400000000, -0.0002535400000000 ] - [ -0.0000561500000000, -0.0005314200000000, -0.0001550600000000 ] - [ 0.0002219100000000, -0.0001786600000000, -0.0000367600000000 ] - [ -0.0005877000000000, -0.0011271700000000, 0.0000145100000000 ] - [ 0.0000154700000000, -0.0004047200000000, 0.0003943900000000 ] - [ -0.0037275900000000, 0.0017482000000000, 0.0014748300000000 ] - [ 0.0010068000000000, 0.0004332100000000, 0.0006856800000000 ] - [ 0.0002058400000000, -0.0015272300000000, -0.0002418600000000 ] - [ 0.0007192300000000, -0.0007164500000000, -0.0002971400000000 ] - [ -0.0011041300000000, 0.0073034900000000, -0.0022974400000000 ] - [ 0.0004274200000000, 0.0018046800000000, 0.0001817300000000 ] - [ -0.0019501600000000, 0.0013764900000000, -0.0023698400000000 ] - [ 0.0010761300000000, 0.0009929700000000, -0.0001930200000000 ] - [ 0.0014023600000000, -0.0007921100000000, 0.0012126400000000 ] - [ -0.0007544400000000, 0.0003864100000000, -0.0000586700000000 ] - [ 0.0018823700000000, -0.0004943700000000, -0.0008049900000000 ] - [ -0.0015636200000000, 0.0002006900000000, -0.0006373200000000 ] - [ -0.0001294700000000, 0.0081733700000000, 0.0004687600000000 ] - [ 0.0006514900000000, 0.0018087500000000, 0.0003946400000000 ] - [ 0.0010374700000000, -0.0015041100000000, -0.0000841100000000 ] - [ -0.0002676500000000, 0.0001125300000000, 0.0001564700000000 ] - [ 0.0000652400000000, -0.0013527000000000, -0.0000203000000000 ] - [ -0.0002422400000000, -0.0005550800000000, -0.0000941600000000 ] - [ 0.0005193200000000, -0.0017044400000000, 0.0001785200000000 ] - [ 0.0004979900000000, -0.0009176500000000, 0.0001549500000000 ] - [ -0.0002360700000000, -0.0017494300000000, 0.0001577800000000 ] - [ -0.0004878800000000, -0.0012959800000000, 0.0000804300000000 ] - [ 0.0007809200000000, 0.0010351300000000, -0.0003841100000000 ] - [ 0.0003904900000000, -0.0001070200000000, -0.0001189000000000 ] - [ -0.0006935000000000, -0.0047688300000000, 0.0000101100000000 ] - [ 0.0009215400000000, -0.0007133000000000, 0.0004042200000000 ] - [ -0.0014600100000000, -0.0009917600000000, 0.0003901100000000 ] - [ -0.0005061300000000, -0.0003592800000000, 0.0006683100000000 ] - [ -0.0172243200000000, 0.0190903800000000, -0.0026421200000000 ] - [ -0.0006289200000000, 0.0005887200000000, -0.0002774100000000 ] - [ 0.0002681300000000, -0.0015347000000000, -0.0000391900000000 ] - [ 0.0002751800000000, -0.0009257900000000, -0.0000558700000000 ] - [ 0.0003990200000000, -0.0006746900000000, -0.0005416000000000 ] - [ 0.0010749400000000, -0.0001238800000000, -0.0004632400000000 ] - [ -0.0049726700000000, 0.0259009100000000, -0.0030763500000000 ] - [ 0.0001917800000000, 0.0005945000000000, 0.0000986500000000 ] - [ -0.0004795200000000, 0.0018332000000000, 0.0007453500000000 ] - [ -0.0004683400000000, 0.0006998400000000, 0.0001025700000000 ] - [ -0.0021064000000000, -0.0033402900000000, -0.0004842500000000 ] - [ -0.0002701600000000, -0.0010029200000000, -0.0003050800000000 ] - [ -0.0007756900000000, 0.0008109000000000, -0.0001774000000000 ] - [ -0.0005083500000000, 0.0003509800000000, -0.0000867000000000 ] - [ -0.0001380400000000, 0.0010014100000000, 0.0001416900000000 ] - [ -0.0002252500000000, 0.0001908600000000, 0.0001067200000000 ] - [ 0.0001164200000000, 0.0006887400000000, 0.0000238200000000 ] - [ 0.0002525100000000, 0.0006665300000000, 0.0000586600000000 ] - [ 0.0003211300000000, -0.0008911000000000, 0.0005909400000000 ] - [ -0.0004120500000000, -0.0009127900000000, 0.0002350600000000 ] - [ -0.0002652000000000, -0.0018122100000000, -0.0000445600000000 ] - [ -0.0004668700000000, -0.0008789500000000, -0.0004040300000000 ] - [ 0.0002339500000000, 0.0004495200000000, -0.0007224900000000 ] - [ 0.0003100100000000, 0.0001485500000000, -0.0006370100000000 ] - [ 0.0002440700000000, 0.0004630900000000, 0.0009166300000000 ] - [ -0.0001741300000000, -0.0003190300000000, -0.0000366200000000 ] - [ -0.0000215900000000, 0.0007720800000000, 0.0001528000000000 ] - [ -0.0000597500000000, 0.0004334200000000, 0.0001835200000000 ] - [ -0.0008228700000000, 0.0002303300000000, -0.0005513000000000 ] - [ -0.0002236400000000, -0.0003766800000000, -0.0003654600000000 ] - [ -0.0011070400000000, -0.0002413500000000, -0.0002686000000000 ] - [ 0.0011784600000000, -0.0003885800000000, -0.0000310400000000 ] - [ 0.0042988700000000, 0.0071195400000000, 0.0011066900000000 ] - [ -0.0000726000000000, -0.0001922200000000, -0.0001621800000000 ] - [ 0.0007513700000000, 0.0004145300000000, 0.0004156000000000 ] - [ -0.0010935200000000, 0.0003153500000000, 0.0001651500000000 ] - [ 0.0001161200000000, 0.0008552900000000, 0.0001842900000000 ] - [ 0.0000908600000000, 0.0004199600000000, 0.0001379400000000 ] - [ -0.0001615700000000, 0.0007200200000000, -0.0004295600000000 ] - [ -0.0002323900000000, 0.0004694300000000, -0.0004523900000000 ] - [ 0.0002880000000000, 0.0009437700000000, -0.0002348600000000 ] - [ 0.0002978000000000, 0.0001121000000000, -0.0002663200000000 ] - [ 0.0004329500000000, 0.0003230200000000, 0.0005159300000000 ] - [ -0.0001251500000000, -0.0001790600000000, -0.0000445500000000 ] - [ -0.0000949900000000, 0.0003118500000000, 0.0000909800000000 ] - [ -0.0007806900000000, 0.0002609500000000, -0.0000931100000000 ] - [ -0.0002661400000000, 0.0007351500000000, -0.0003551200000000 ] - [ -0.0007692000000000, -0.0002476000000000, 0.0002687000000000 ] - [ -0.0001042200000000, 0.0006959700000000, -0.0000617600000000 ] - [ -0.0000844200000000, 0.0002704400000000, -0.0000615500000000 ] - [ -0.0007424800000000, 0.0016441100000000, -0.0002592300000000 ] - [ 0.0005579600000000, -0.0007029500000000, 0.0003747900000000 ] - [ -0.0002767300000000, 0.0010955000000000, -0.0002118700000000 ] - [ 0.0001022700000000, 0.0008306900000000, -0.0000446600000000 ] - [ -0.0007409100000000, -0.0001796000000000, -0.0006428300000000 ] - [ 0.0006055400000000, -0.0002003700000000, 0.0001309900000000 ] - [ -0.0006997100000000, 0.0008569300000000, 0.0000809800000000 ] - [ -0.0006845000000000, 0.0004927800000000, 0.0000512800000000 ] - [ -0.0005591700000000, -0.0017743000000000, 0.0000721800000000 ] - [ 0.0001007600000000, -0.0004940000000000, 0.0001454500000000 ] - [ -0.0022764500000000, -0.0024278200000000, 0.0023486600000000 ] - [ 0.0005947600000000, -0.0004122100000000, -0.0000574400000000 ] - [ 0.0009251000000000, 0.0023968300000000, -0.0083636000000000 ] - [ -0.0004454800000000, -0.0004343300000000, 0.0006129500000000 ] - [ 0.0007947700000000, 0.0003552700000000, 0.0003987900000000 ] - [ -0.0001579400000000, -0.0000629800000000, -0.0000145100000000 ] - [ -0.0006597200000000, 0.0011318700000000, 0.0002527400000000 ] - [ 0.0003762300000000, 0.0004968700000000, 0.0002584000000000 ] - [ 0.0008334400000000, 0.0011122900000000, -0.0001438500000000 ] - [ -0.0000307100000000, 0.0005042100000000, -0.0003503500000000 ] - [ 0.0373729100000000, -0.0751381500000000, 0.0123098100000000 ] - [ -0.0001334300000000, -0.0003595800000000, -0.0006648600000000 ] - [ 0.0001615100000000, 0.0004657600000000, 0.0001376300000000 ] - [ 0.0001367700000000, 0.0001658900000000, 0.0001252700000000 ] - [ 0.0062902300000000, 0.0054065000000000, 0.0020766800000000 ] - [ -0.0003128100000000, 0.0002423800000000, 0.0001621200000000 ] - [ 0.0012375400000000, 0.0003676600000000, -0.0006878500000000 ] - [ 0.0005202800000000, -0.0001618200000000, -0.0003351300000000 ] - [ 0.0002381900000000, 0.0005129900000000, -0.0001209800000000 ] - [ 0.0001842600000000, 0.0001814900000000, -0.0001301800000000 ] - [ -0.0004919200000000, 0.0001168800000000, 0.0002548300000000 ] - [ -0.0003145400000000, -0.0001348500000000, 0.0002254200000000 ] - [ -0.0057867300000000, 0.0028798200000000, 0.0057145500000000 ] - [ 0.0003708000000000, -0.0009005100000000, -0.0002267500000000 ] - [ 0.0002115000000000, -0.0000753600000000, -0.0002800600000000 ] - [ -0.0002096600000000, -0.0001945900000000, -0.0004289200000000 ] - [ -0.0078884100000000, -0.0014012200000000, -0.0031944000000000 ] - [ 0.0002699800000000, -0.0000002400000000, 0.0002821800000000 ] - [ -0.0002121000000000, 0.0002579000000000, -0.0001101400000000 ] - [ -0.0000184700000000, 0.0000361400000000, -0.0000641800000000 ] - [ -0.0001111000000000, 0.0008001400000000, 0.0002223000000000 ] - [ 0.0001575600000000, 0.0004648500000000, 0.0002927000000000 ] - [ 0.0002472000000000, 0.0012346000000000, -0.0001796000000000 ] - [ -0.0001815500000000, 0.0009736300000000, -0.0002550200000000 ] - [ 0.0013405900000000, -0.0025846900000000, 0.0004351900000000 ] - [ -0.0002735500000000, -0.0011094400000000, 0.0003139700000000 ] - [ 0.0008560200000000, 0.0000266100000000, 0.0001075400000000 ] - [ -0.0000973200000000, 0.0000099000000000, -0.0002744100000000 ] - [ -0.0037380500000000, 0.0070851400000000, 0.0016584000000000 ] - [ -0.0002484600000000, -0.0002975500000000, 0.0002311200000000 ] - [ 0.0001825500000000, 0.0006864900000000, 0.0006894500000000 ] - [ 0.0001087800000000, 0.0003540300000000, 0.0006780500000000 ] - [ -0.0028878500000000, 0.0008551900000000, -0.0057286200000000 ] - [ 0.0002535200000000, -0.0002747200000000, -0.0001381200000000 ] - [ -0.0000388700000000, 0.0011383800000000, -0.0003100500000000 ] - [ 0.0001134300000000, 0.0010492000000000, -0.0002682100000000 ] - [ 0.0007174700000000, -0.0022055800000000, 0.0004901400000000 ] - [ 0.0001947500000000, -0.0002580100000000, 0.0004168700000000 ]- atom: 107 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001511800000000, 0.0014690900000000, -0.0002813100000000 ] - [ -0.0003594000000000, 0.0013434500000000, -0.0003145600000000 ] - [ -0.0004248700000000, 0.0020202300000000, -0.0007809100000000 ] - [ 0.0004386200000000, 0.0008049400000000, -0.0000098200000000 ] - [ 0.0001207700000000, 0.0019866300000000, 0.0000140200000000 ] - [ -0.0001604400000000, 0.0016339100000000, -0.0001060100000000 ] - [ 0.0001758800000000, 0.0017150900000000, 0.0006770800000000 ] - [ -0.0004245800000000, 0.0009939200000000, 0.0002993300000000 ] - [ 0.0026871500000000, -0.0017688200000000, -0.0007737900000000 ] - [ -0.0020497900000000, -0.0004383300000000, 0.0000173400000000 ] - [ 0.0008404200000000, 0.0015314000000000, -0.0004591100000000 ] - [ 0.0003296300000000, 0.0007220000000000, -0.0004043200000000 ] - [ 0.0010636600000000, -0.0058209700000000, 0.0024900800000000 ] - [ -0.0004923400000000, -0.0003496900000000, -0.0000392100000000 ] - [ 0.0023686400000000, -0.0008081300000000, 0.0016821700000000 ] - [ -0.0006668900000000, -0.0004133000000000, -0.0004996700000000 ] - [ -0.0016110000000000, 0.0015470100000000, -0.0009441800000000 ] - [ 0.0005451400000000, 0.0003665900000000, 0.0003219500000000 ] - [ -0.0022491500000000, 0.0015225600000000, 0.0002837900000000 ] - [ 0.0011817400000000, 0.0008245700000000, 0.0001201900000000 ] - [ 0.0005606800000000, -0.0075336800000000, 0.0000349900000000 ] - [ -0.0002502600000000, -0.0011685000000000, 0.0001162400000000 ] - [ -0.0006673600000000, 0.0025300400000000, 0.0006036200000000 ] - [ 0.0006466400000000, 0.0009077900000000, 0.0003605900000000 ] - [ -0.0003680200000000, 0.0014273600000000, -0.0001638200000000 ] - [ -0.0000621000000000, 0.0006323800000000, -0.0000906900000000 ] - [ 0.0004566800000000, 0.0009952100000000, 0.0001649000000000 ] - [ 0.0004811000000000, 0.0002080100000000, 0.0001904000000000 ] - [ -0.0005342300000000, 0.0003566000000000, 0.0001003200000000 ] - [ -0.0002841900000000, -0.0000964600000000, 0.0001772600000000 ] - [ -0.0000063100000000, -0.0024442600000000, 0.0001276100000000 ] - [ 0.0003835800000000, -0.0012896800000000, -0.0001420200000000 ] - [ 0.0020875500000000, 0.0033814800000000, 0.0007075300000000 ] - [ 0.0004818100000000, -0.0006540400000000, 0.0003165900000000 ] - [ -0.0002618800000000, 0.0008330700000000, 0.0006631700000000 ] - [ -0.0012185200000000, 0.0001991900000000, 0.0003838600000000 ] - [ 0.0155402300000000, -0.0196129500000000, 0.0021950700000000 ] - [ -0.0003446400000000, -0.0012979700000000, -0.0000629500000000 ] - [ 0.0003248900000000, 0.0008529900000000, -0.0001021200000000 ] - [ 0.0003190400000000, 0.0002430800000000, -0.0000853500000000 ] - [ 0.0013252600000000, 0.0005166100000000, -0.0005170000000000 ] - [ 0.0006510200000000, -0.0000394700000000, -0.0005952600000000 ] - [ 0.0060517800000000, -0.0279866600000000, 0.0037514200000000 ] - [ 0.0001083600000000, -0.0005206700000000, 0.0000919100000000 ] - [ -0.0001250900000000, -0.0025148900000000, -0.0005899000000000 ] - [ -0.0001285500000000, -0.0013865500000000, 0.0000496500000000 ] - [ 0.0007122000000000, 0.0019798300000000, -0.0002409400000000 ] - [ -0.0011356000000000, -0.0003695200000000, -0.0004238400000000 ] - [ -0.0003424100000000, -0.0007473500000000, 0.0000155300000000 ] - [ -0.0006124100000000, -0.0002855800000000, -0.0000760200000000 ] - [ -0.0001973500000000, -0.0010336000000000, 0.0001156200000000 ] - [ -0.0001107400000000, -0.0002258200000000, 0.0001505000000000 ] - [ 0.0001153100000000, -0.0003162200000000, -0.0000455800000000 ] - [ -0.0000194200000000, -0.0002935600000000, -0.0000797800000000 ] - [ -0.0003508900000000, -0.0003417600000000, 0.0001592800000000 ] - [ 0.0003819800000000, -0.0003117800000000, 0.0005157300000000 ] - [ -0.0001218200000000, 0.0013833400000000, -0.0002019900000000 ] - [ 0.0000755600000000, 0.0004446500000000, 0.0001560800000000 ] - [ 0.0003920900000000, -0.0007071300000000, -0.0005561600000000 ] - [ 0.0003163800000000, -0.0004063200000000, -0.0006409100000000 ] - [ -0.0003721900000000, -0.0011629800000000, -0.0009086300000000 ] - [ 0.0000450300000000, -0.0003810500000000, 0.0000387800000000 ] - [ -0.0001858500000000, -0.0004765300000000, 0.0001853300000000 ] - [ -0.0001480100000000, -0.0001369700000000, 0.0001541400000000 ] - [ -0.0000350800000000, -0.0015010700000000, -0.0001726700000000 ] - [ -0.0006308200000000, -0.0008962500000000, -0.0003565600000000 ] - [ 0.0022259800000000, 0.0002987700000000, 0.0004307100000000 ] - [ -0.0000627900000000, 0.0004466800000000, 0.0001895700000000 ] - [ -0.0040205500000000, -0.0072628100000000, -0.0013808700000000 ] - [ 0.0004087800000000, 0.0001602700000000, -0.0000944100000000 ] - [ -0.0015433600000000, -0.0000644200000000, 0.0000543100000000 ] - [ 0.0003130100000000, 0.0000351300000000, 0.0003065300000000 ] - [ 0.0001489700000000, -0.0004348700000000, 0.0000834100000000 ] - [ 0.0001737800000000, 0.0000017300000000, 0.0001296500000000 ] - [ -0.0003158100000000, -0.0004292100000000, -0.0004742800000000 ] - [ -0.0002444400000000, -0.0001781000000000, -0.0004511200000000 ] - [ 0.0004091000000000, -0.0011597200000000, -0.0002387000000000 ] - [ 0.0003980500000000, -0.0003233900000000, -0.0002071700000000 ] - [ -0.0003058200000000, -0.0010232600000000, -0.0005226000000000 ] - [ 0.0002547800000000, -0.0005180900000000, 0.0000428200000000 ] - [ -0.0006756100000000, -0.0004574900000000, -0.0000685900000000 ] - [ 0.0000092000000000, -0.0004058400000000, 0.0001152200000000 ] - [ -0.0011336400000000, -0.0013317200000000, 0.0009136500000000 ] - [ -0.0006326100000000, -0.0003509200000000, 0.0002945300000000 ] - [ 0.0000363000000000, -0.0005454400000000, -0.0000451200000000 ] - [ 0.0000168300000000, -0.0001195800000000, -0.0000453500000000 ] - [ 0.0016081400000000, -0.0029279700000000, 0.0009860800000000 ] - [ 0.0002962800000000, -0.0005660500000000, 0.0003465600000000 ] - [ 0.0000637900000000, -0.0000090800000000, -0.0001020700000000 ] - [ -0.0003141500000000, 0.0002559400000000, -0.0002691300000000 ] - [ 0.0005825700000000, 0.0004839500000000, 0.0001206700000000 ] - [ -0.0007707700000000, 0.0005045900000000, -0.0006517600000000 ] - [ -0.0006297800000000, -0.0005089100000000, 0.0000323200000000 ] - [ -0.0006453800000000, -0.0001437900000000, 0.0000621900000000 ] - [ 0.0003265900000000, 0.0021564200000000, -0.0000506200000000 ] - [ -0.0003329400000000, 0.0008699200000000, -0.0001227200000000 ] - [ 0.0036392700000000, 0.0027500400000000, -0.0024932200000000 ] - [ 0.0007340600000000, 0.0007607400000000, -0.0000562800000000 ] - [ -0.0015599700000000, -0.0026618600000000, 0.0097288900000000 ] - [ -0.0001808500000000, 0.0001782400000000, 0.0006649300000000 ] - [ -0.0007288100000000, -0.0002015200000000, -0.0002930100000000 ] - [ 0.0002258600000000, 0.0002153200000000, 0.0001221400000000 ] - [ 0.0008746000000000, -0.0000431900000000, 0.0000607700000000 ] - [ -0.0001654200000000, 0.0005933000000000, 0.0000560200000000 ] - [ -0.0000467100000000, -0.0007632000000000, -0.0003263400000000 ] - [ 0.0008146400000000, -0.0001575500000000, -0.0001206000000000 ] - [ -0.0377718500000000, 0.0772804800000000, -0.0141253600000000 ] - [ -0.0000679500000000, 0.0004255400000000, -0.0006866000000000 ] - [ 0.0002291400000000, -0.0009022000000000, 0.0001088200000000 ] - [ 0.0002533500000000, -0.0006022800000000, 0.0001211800000000 ] - [ -0.0061564300000000, -0.0042410800000000, -0.0016260600000000 ] - [ 0.0003490100000000, 0.0008530000000000, 0.0002584600000000 ] - [ 0.0001611400000000, -0.0009659800000000, 0.0001295300000000 ] - [ 0.0008817400000000, -0.0004335600000000, -0.0002275400000000 ] - [ 0.0001562600000000, -0.0009148900000000, -0.0001071700000000 ] - [ 0.0002092100000000, -0.0005833700000000, -0.0000983100000000 ] - [ -0.0002148500000000, -0.0011564200000000, 0.0001841300000000 ] - [ -0.0003911300000000, -0.0009049700000000, 0.0002131300000000 ] - [ 0.0065686000000000, -0.0039525700000000, -0.0062210100000000 ] - [ 0.0003359900000000, -0.0001363600000000, -0.0002112700000000 ] - [ -0.0001810800000000, -0.0011488000000000, -0.0004708000000000 ] - [ 0.0002425500000000, -0.0010283400000000, -0.0003210400000000 ] - [ 0.0079127900000000, 0.0026794900000000, 0.0037482500000000 ] - [ -0.0002281000000000, 0.0012249600000000, 0.0002750900000000 ] - [ -0.0000521500000000, 0.0001565600000000, -0.0001568100000000 ] - [ -0.0002445200000000, 0.0003835200000000, -0.0002035600000000 ] - [ 0.0002729000000000, -0.0004931900000000, 0.0003004500000000 ] - [ 0.0000017400000000, -0.0001568600000000, 0.0002293000000000 ] - [ -0.0002846700000000, -0.0001388600000000, -0.0002403500000000 ] - [ 0.0001470500000000, 0.0001239000000000, -0.0001644200000000 ] - [ -0.0017061700000000, 0.0022018600000000, -0.0002001300000000 ] - [ -0.0001248700000000, 0.0007110600000000, -0.0000853700000000 ] - [ -0.0000842900000000, -0.0001676100000000, -0.0001298100000000 ] - [ 0.0008724800000000, -0.0001503000000000, 0.0002536400000000 ] - [ 0.0029777700000000, -0.0071877700000000, -0.0011639300000000 ] - [ -0.0004482900000000, 0.0000843100000000, 0.0002418600000000 ] - [ 0.0000188400000000, -0.0006215800000000, 0.0006627500000000 ] - [ 0.0000934400000000, -0.0002885200000000, 0.0006743100000000 ] - [ 0.0030813400000000, -0.0005838900000000, 0.0053727500000000 ] - [ -0.0000465500000000, 0.0005702400000000, -0.0001989400000000 ] - [ -0.0000025700000000, 0.0000836900000000, -0.0002478700000000 ] - [ -0.0001529700000000, 0.0001732500000000, -0.0002891000000000 ] - [ -0.0002448000000000, 0.0025016000000000, 0.0004203500000000 ] - [ 0.0002813000000000, 0.0005483500000000, 0.0004874300000000 ]- atom: 107 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0001871200000000, 0.0003481700000000, -0.0002542500000000 ] - [ -0.0002095300000000, 0.0002995300000000, -0.0002317600000000 ] - [ -0.0000809100000000, 0.0007030100000000, -0.0002369300000000 ] - [ 0.0001737300000000, 0.0004125100000000, -0.0001543500000000 ] - [ 0.0000190800000000, 0.0007341700000000, -0.0000706800000000 ] - [ 0.0000469100000000, 0.0007045900000000, -0.0000923200000000 ] - [ -0.0002781100000000, 0.0001514000000000, 0.0003056400000000 ] - [ -0.0001833000000000, 0.0003146900000000, 0.0003061100000000 ] - [ 0.0017838500000000, 0.0018677100000000, 0.0003500000000000 ] - [ -0.0008143200000000, 0.0000709100000000, 0.0007794900000000 ] - [ 0.0005204300000000, 0.0000760800000000, -0.0003358700000000 ] - [ 0.0005348000000000, 0.0000194700000000, -0.0003112700000000 ] - [ -0.0026439000000000, -0.0012477800000000, -0.0012171100000000 ] - [ 0.0001023400000000, 0.0006773000000000, -0.0000833100000000 ] - [ -0.0008790900000000, -0.0006114700000000, -0.0008184200000000 ] - [ 0.0005209900000000, 0.0001615300000000, -0.0008735900000000 ] - [ -0.0008167600000000, 0.0013788200000000, 0.0001006700000000 ] - [ 0.0000190700000000, 0.0004750700000000, -0.0004113300000000 ] - [ 0.0003800800000000, -0.0002700100000000, -0.0002872100000000 ] - [ -0.0003214900000000, 0.0005834200000000, 0.0002070500000000 ] - [ 0.0011769300000000, 0.0015667100000000, 0.0031517600000000 ] - [ 0.0002658000000000, 0.0002861900000000, 0.0005516500000000 ] - [ 0.0002609000000000, -0.0002689900000000, 0.0003714900000000 ] - [ 0.0002416400000000, 0.0005407800000000, 0.0003087800000000 ] - [ -0.0001424400000000, -0.0000068200000000, -0.0000403400000000 ] - [ -0.0001363100000000, 0.0000660100000000, -0.0000866800000000 ] - [ 0.0004523900000000, -0.0003737200000000, 0.0001964000000000 ] - [ 0.0005167800000000, -0.0003484300000000, 0.0001801200000000 ] - [ -0.0003592000000000, -0.0006851400000000, 0.0000882400000000 ] - [ -0.0003990700000000, -0.0006995700000000, 0.0001287900000000 ] - [ 0.0012236100000000, -0.0012620700000000, -0.0054564600000000 ] - [ 0.0003618500000000, -0.0007056300000000, -0.0001307600000000 ] - [ 0.0001234800000000, -0.0007950400000000, 0.0011149100000000 ] - [ 0.0008115800000000, -0.0006805500000000, 0.0003735400000000 ] - [ -0.0008432200000000, -0.0000364800000000, 0.0002469000000000 ] - [ -0.0008700000000000, -0.0000645700000000, 0.0005048000000000 ] - [ -0.0064210600000000, 0.0017706100000000, 0.0074876400000000 ] - [ 0.0000785100000000, -0.0003028300000000, 0.0000257700000000 ] - [ 0.0002763400000000, -0.0003613800000000, -0.0001095700000000 ] - [ 0.0003115900000000, -0.0003315900000000, -0.0000680400000000 ] - [ 0.0010377400000000, 0.0000408500000000, -0.0011755600000000 ] - [ 0.0008034900000000, -0.0000894500000000, -0.0005564600000000 ] - [ -0.0014527000000000, -0.0027437500000000, 0.0094838900000000 ] - [ 0.0003475400000000, 0.0000613700000000, 0.0001741600000000 ] - [ 0.0003085700000000, -0.0005538800000000, -0.0050387700000000 ] - [ -0.0006224900000000, -0.0002644600000000, -0.0000728200000000 ] - [ -0.0008200700000000, -0.0006897600000000, -0.0001316100000000 ] - [ -0.0005942700000000, -0.0007636700000000, -0.0003274700000000 ] - [ -0.0005389300000000, 0.0000581600000000, -0.0001434900000000 ] - [ -0.0005772700000000, 0.0000203000000000, -0.0000871000000000 ] - [ -0.0001266900000000, 0.0000736600000000, 0.0000574600000000 ] - [ -0.0001912400000000, -0.0000233300000000, 0.0001240000000000 ] - [ 0.0001070400000000, 0.0001758200000000, -0.0000040800000000 ] - [ 0.0001337300000000, 0.0002031500000000, -0.0000022100000000 ] - [ -0.0005077100000000, -0.0007250300000000, 0.0022903700000000 ] - [ 0.0000805200000000, -0.0005868800000000, 0.0003828000000000 ] - [ -0.0004005000000000, -0.0002219700000000, 0.0012030700000000 ] - [ -0.0000738300000000, -0.0003362400000000, 0.0000156600000000 ] - [ 0.0003210700000000, -0.0001430300000000, -0.0006478500000000 ] - [ 0.0003077500000000, -0.0001323100000000, -0.0006314000000000 ] - [ 0.0000234700000000, 0.0001075000000000, 0.0001190600000000 ] - [ -0.0000790500000000, -0.0003458400000000, 0.0000174600000000 ] - [ -0.0000898200000000, 0.0001323800000000, 0.0001741200000000 ] - [ -0.0001167600000000, 0.0001389700000000, 0.0001662800000000 ] - [ -0.0004707500000000, -0.0005890100000000, -0.0005872300000000 ] - [ -0.0004440000000000, -0.0006969500000000, -0.0003618700000000 ] - [ 0.0005841400000000, 0.0001454800000000, -0.0007193800000000 ] - [ -0.0003488100000000, -0.0009563300000000, -0.0003927300000000 ] - [ 0.0008178600000000, 0.0003676500000000, -0.0017776400000000 ] - [ 0.0000754000000000, 0.0000270000000000, -0.0001671900000000 ] - [ -0.0003577600000000, 0.0000876300000000, 0.0000187300000000 ] - [ -0.0005833500000000, 0.0003274200000000, 0.0001186900000000 ] - [ 0.0001614700000000, 0.0002334700000000, 0.0002272800000000 ] - [ 0.0001176000000000, 0.0002127400000000, 0.0001299800000000 ] - [ -0.0002338200000000, 0.0001475200000000, -0.0004383200000000 ] - [ -0.0002418500000000, 0.0001439900000000, -0.0004522100000000 ] - [ 0.0004059000000000, -0.0000864600000000, -0.0002985100000000 ] - [ 0.0003161700000000, -0.0000995000000000, -0.0002429900000000 ] - [ 0.0000930500000000, -0.0003010500000000, 0.0000107900000000 ] - [ 0.0000308600000000, -0.0003185500000000, 0.0000387400000000 ] - [ -0.0003940700000000, -0.0000950900000000, 0.0001078400000000 ] - [ -0.0002554800000000, -0.0001757400000000, 0.0000189100000000 ] - [ -0.0007316900000000, -0.0006425000000000, 0.0002093000000000 ] - [ -0.0007110400000000, -0.0003011000000000, 0.0002732100000000 ] - [ -0.0000624500000000, 0.0001022600000000, 0.0000274300000000 ] - [ -0.0000214500000000, 0.0000738000000000, -0.0000475200000000 ] - [ 0.0007458500000000, -0.0008224000000000, -0.0003677900000000 ] - [ 0.0003746900000000, -0.0006625800000000, 0.0003441900000000 ] - [ -0.0001620400000000, 0.0005144500000000, -0.0000127200000000 ] - [ -0.0000730500000000, 0.0005550500000000, -0.0001399900000000 ] - [ -0.0003403800000000, 0.0002912300000000, 0.0005643900000000 ] - [ 0.0009999400000000, 0.0007616900000000, -0.0001198700000000 ] - [ -0.0006504700000000, 0.0001882600000000, 0.0000595500000000 ] - [ -0.0006738500000000, 0.0001707400000000, 0.0000546100000000 ] - [ -0.0004551600000000, 0.0000219800000000, 0.0022213100000000 ] - [ -0.0000330700000000, 0.0002037200000000, 0.0000316200000000 ] - [ -0.0075840700000000, 0.0025919100000000, 0.0052578300000000 ] - [ 0.0007019700000000, 0.0001740500000000, -0.0002677400000000 ] - [ -0.0011218400000000, -0.0074251100000000, 0.0094865700000000 ] - [ -0.0003402400000000, -0.0001252200000000, 0.0006445900000000 ] - [ -0.0001296300000000, 0.0002110600000000, 0.0010971300000000 ] - [ 0.0000248800000000, 0.0000626700000000, 0.0000747400000000 ] - [ -0.0000207300000000, 0.0006390900000000, 0.0010565100000000 ] - [ 0.0001388700000000, 0.0005827300000000, 0.0001725100000000 ] - [ 0.0004509500000000, 0.0001596900000000, -0.0003153900000000 ] - [ 0.0003097400000000, 0.0002257700000000, -0.0002624300000000 ] - [ 0.0134398500000000, 0.0031236000000000, -0.0312532900000000 ] - [ -0.0002494300000000, 0.0000515400000000, -0.0007212700000000 ] - [ 0.0001953700000000, -0.0002056000000000, 0.0001498800000000 ] - [ 0.0001925900000000, -0.0002284200000000, 0.0001237200000000 ] - [ 0.0007777300000000, 0.0003981100000000, -0.0023460700000000 ] - [ -0.0000786500000000, 0.0005816300000000, 0.0001919300000000 ] - [ 0.0006231700000000, -0.0005631700000000, -0.0003325500000000 ] - [ 0.0006908200000000, -0.0003019700000000, -0.0003247500000000 ] - [ 0.0002153200000000, -0.0001847700000000, -0.0001309600000000 ] - [ 0.0001841400000000, -0.0002070600000000, -0.0001162300000000 ] - [ -0.0003649000000000, -0.0004924500000000, 0.0002301600000000 ] - [ -0.0003494600000000, -0.0005250500000000, 0.0002088900000000 ] - [ -0.0042822800000000, 0.0057134700000000, 0.0029254700000000 ] - [ 0.0003240100000000, -0.0005242300000000, -0.0002611700000000 ] - [ 0.0000017500000000, -0.0006413500000000, -0.0003463800000000 ] - [ 0.0000281200000000, -0.0006231900000000, -0.0003685300000000 ] - [ 0.0043471000000000, -0.0005615600000000, -0.0022688600000000 ] - [ -0.0002930900000000, 0.0006280500000000, 0.0002226200000000 ] - [ -0.0003272300000000, 0.0003620600000000, 0.0007846300000000 ] - [ -0.0000180700000000, 0.0002541800000000, -0.0001157700000000 ] - [ 0.0000699900000000, 0.0001822800000000, 0.0003156500000000 ] - [ 0.0000729700000000, 0.0001476600000000, 0.0002606000000000 ] - [ -0.0000140600000000, 0.0005212700000000, -0.0002419200000000 ] - [ -0.0000406300000000, 0.0005957800000000, -0.0002188500000000 ] - [ 0.0002434700000000, -0.0002012700000000, -0.0016207800000000 ] - [ -0.0010296000000000, 0.0002555400000000, -0.0002268000000000 ] - [ 0.0002740900000000, -0.0001811200000000, 0.0002302100000000 ] - [ 0.0004576200000000, -0.0001190200000000, 0.0000479500000000 ] - [ -0.0004620700000000, 0.0017340000000000, -0.0011629800000000 ] - [ -0.0004936400000000, -0.0001644200000000, 0.0001687400000000 ] - [ 0.0001098200000000, 0.0000411800000000, 0.0006673700000000 ] - [ 0.0000907400000000, 0.0000331800000000, 0.0006729200000000 ] - [ 0.0042572800000000, -0.0040169200000000, 0.0044171400000000 ] - [ -0.0000006500000000, 0.0001161100000000, 0.0000471700000000 ] - [ -0.0000285800000000, 0.0006106400000000, -0.0002909100000000 ] - [ -0.0000194200000000, 0.0006086900000000, -0.0002781200000000 ] - [ -0.0006033500000000, 0.0001551600000000, 0.0043304900000000 ] - [ 0.0002544600000000, 0.0001528200000000, 0.0004566700000000 ]- atom: 107 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0002205700000000, 0.0002896200000000, -0.0002575700000000 ] - [ -0.0001979800000000, 0.0003381700000000, -0.0002804100000000 ] - [ 0.0002909200000000, 0.0000461800000000, -0.0000215400000000 ] - [ 0.0000350000000000, 0.0003340600000000, -0.0001099900000000 ] - [ 0.0000438300000000, 0.0007190800000000, -0.0000723100000000 ] - [ 0.0000153300000000, 0.0007499400000000, -0.0000503100000000 ] - [ -0.0001311800000000, 0.0004348900000000, 0.0003899600000000 ] - [ -0.0002274200000000, 0.0002732200000000, 0.0003878100000000 ] - [ -0.0028357300000000, -0.0018617900000000, 0.0003763500000000 ] - [ -0.0002264400000000, -0.0000662500000000, -0.0000777400000000 ] - [ 0.0005292100000000, -0.0000729400000000, -0.0003667500000000 ] - [ 0.0005117200000000, -0.0000148300000000, -0.0003908100000000 ] - [ 0.0026592900000000, 0.0027761500000000, 0.0016073400000000 ] - [ -0.0001661600000000, 0.0007798900000000, 0.0002260700000000 ] - [ 0.0012904200000000, 0.0011970600000000, 0.0001063000000000 ] - [ -0.0001178000000000, 0.0004335200000000, 0.0001808000000000 ] - [ 0.0006077800000000, -0.0006284600000000, 0.0001573200000000 ] - [ -0.0002354400000000, 0.0002654100000000, 0.0006741400000000 ] - [ -0.0007599500000000, 0.0012942700000000, -0.0002208900000000 ] - [ -0.0000541400000000, 0.0004370200000000, -0.0007228000000000 ] - [ -0.0005325800000000, -0.0008759200000000, -0.0027726200000000 ] - [ 0.0001306300000000, 0.0003567200000000, -0.0000402000000000 ] - [ 0.0001194100000000, 0.0012943300000000, 0.0001407400000000 ] - [ 0.0001315700000000, 0.0004807500000000, 0.0002073600000000 ] - [ -0.0001594000000000, 0.0000825700000000, -0.0001463600000000 ] - [ -0.0001671800000000, 0.0000069600000000, -0.0001004800000000 ] - [ 0.0005278800000000, -0.0003353000000000, 0.0001450300000000 ] - [ 0.0004617900000000, -0.0003624300000000, 0.0001595800000000 ] - [ -0.0004112300000000, -0.0007087900000000, 0.0001704900000000 ] - [ -0.0003736100000000, -0.0006946100000000, 0.0001294500000000 ] - [ -0.0004485700000000, -0.0001127400000000, 0.0051942800000000 ] - [ 0.0004087800000000, -0.0006864300000000, -0.0001312300000000 ] - [ 0.0012892900000000, -0.0005672600000000, -0.0003956000000000 ] - [ 0.0005908000000000, -0.0006913000000000, 0.0003435700000000 ] - [ -0.0008776800000000, -0.0001187900000000, 0.0008062500000000 ] - [ -0.0008550000000000, -0.0000915900000000, 0.0005483000000000 ] - [ 0.0055926600000000, -0.0025358900000000, -0.0078476400000000 ] - [ -0.0010635000000000, -0.0004059500000000, -0.0003649500000000 ] - [ 0.0003159700000000, -0.0003222700000000, -0.0000299000000000 ] - [ 0.0002791800000000, -0.0003512400000000, -0.0000724700000000 ] - [ 0.0006927700000000, -0.0002152600000000, 0.0001186700000000 ] - [ 0.0009195700000000, -0.0000752600000000, -0.0005025300000000 ] - [ 0.0017684800000000, 0.0028705200000000, -0.0093289600000000 ] - [ -0.0000511200000000, 0.0000169800000000, 0.0000189100000000 ] - [ -0.0008869800000000, -0.0001408100000000, 0.0051908800000000 ] - [ 0.0000201000000000, -0.0004199600000000, 0.0002236200000000 ] - [ -0.0005902700000000, -0.0006938800000000, -0.0005930800000000 ] - [ -0.0008127500000000, -0.0006068600000000, -0.0003986000000000 ] - [ -0.0005813300000000, 0.0000088700000000, -0.0000189600000000 ] - [ -0.0005419700000000, 0.0000466000000000, -0.0000754000000000 ] - [ -0.0002109600000000, -0.0001072000000000, 0.0001992800000000 ] - [ -0.0001439700000000, -0.0000088700000000, 0.0001335400000000 ] - [ 0.0001248600000000, 0.0001994000000000, -0.0000167900000000 ] - [ 0.0000982800000000, 0.0001724900000000, -0.0000186300000000 ] - [ 0.0004750600000000, -0.0004831800000000, -0.0015354600000000 ] - [ -0.0001100100000000, -0.0006363800000000, 0.0003693500000000 ] - [ 0.0000033000000000, -0.0002179900000000, -0.0014493400000000 ] - [ -0.0003156000000000, -0.0001009800000000, -0.0002657200000000 ] - [ 0.0003041100000000, -0.0001121400000000, -0.0006295500000000 ] - [ 0.0003186500000000, -0.0001225700000000, -0.0006461000000000 ] - [ -0.0001538100000000, -0.0008003600000000, -0.0001223700000000 ] - [ -0.0000488600000000, -0.0003509500000000, -0.0000153400000000 ] - [ -0.0001172800000000, 0.0001653300000000, 0.0001635700000000 ] - [ -0.0000895100000000, 0.0001586500000000, 0.0001720700000000 ] - [ -0.0003843500000000, -0.0006825500000000, -0.0001331000000000 ] - [ -0.0004108400000000, -0.0005703700000000, -0.0003582200000000 ] - [ 0.0005423500000000, -0.0000861900000000, 0.0008839200000000 ] - [ 0.0014768300000000, 0.0010331200000000, 0.0005641000000000 ] - [ -0.0004668100000000, -0.0003574800000000, 0.0015277900000000 ] - [ 0.0002619100000000, -0.0000601700000000, -0.0000879200000000 ] - [ -0.0004216900000000, 0.0002654800000000, 0.0004522100000000 ] - [ -0.0002013000000000, 0.0000215300000000, 0.0003542300000000 ] - [ 0.0001022400000000, 0.0001882600000000, 0.0000411400000000 ] - [ 0.0001478800000000, 0.0002094900000000, 0.0001385600000000 ] - [ -0.0002439800000000, 0.0001452500000000, -0.0004646400000000 ] - [ -0.0002351400000000, 0.0001489100000000, -0.0004504600000000 ] - [ 0.0002886200000000, -0.0001211400000000, -0.0001748200000000 ] - [ 0.0003807600000000, -0.0001113400000000, -0.0002302900000000 ] - [ 0.0000354900000000, -0.0003931600000000, -0.0000087900000000 ] - [ 0.0000982700000000, -0.0003792800000000, -0.0000401900000000 ] - [ -0.0003783200000000, -0.0000428900000000, -0.0000849500000000 ] - [ -0.0005157100000000, 0.0000343100000000, 0.0000043100000000 ] - [ -0.0006725300000000, 0.0000482900000000, 0.0003583800000000 ] - [ -0.0006887100000000, -0.0002939200000000, 0.0002911100000000 ] - [ -0.0000068800000000, 0.0000526000000000, -0.0001343000000000 ] - [ -0.0000458000000000, 0.0000801200000000, -0.0000587800000000 ] - [ 0.0001048300000000, -0.0004379000000000, 0.0010872200000000 ] - [ 0.0004821500000000, -0.0006065200000000, 0.0003775400000000 ] - [ -0.0000511500000000, 0.0005754200000000, -0.0003020500000000 ] - [ -0.0001390100000000, 0.0005370400000000, -0.0001750500000000 ] - [ 0.0001751200000000, 0.0000196900000000, -0.0010858800000000 ] - [ -0.0011480500000000, -0.0004463600000000, -0.0004043100000000 ] - [ -0.0006799600000000, 0.0001625400000000, 0.0000547800000000 ] - [ -0.0006554400000000, 0.0001796300000000, 0.0000595000000000 ] - [ 0.0002280000000000, 0.0003421500000000, -0.0021975900000000 ] - [ -0.0001973200000000, 0.0001704300000000, -0.0000066300000000 ] - [ 0.0087844400000000, -0.0022055400000000, -0.0053264300000000 ] - [ 0.0006286100000000, 0.0001742700000000, 0.0001556700000000 ] - [ 0.0004859800000000, 0.0070295900000000, -0.0080987800000000 ] - [ -0.0002849400000000, -0.0001308600000000, 0.0006342000000000 ] - [ 0.0001909800000000, -0.0000637100000000, -0.0009877100000000 ] - [ 0.0000443100000000, 0.0000893600000000, 0.0000329900000000 ] - [ 0.0002345200000000, 0.0004448700000000, -0.0007407000000000 ] - [ 0.0000744800000000, 0.0005079200000000, 0.0001437300000000 ] - [ 0.0003328900000000, 0.0001890100000000, -0.0001553600000000 ] - [ 0.0004763500000000, 0.0001234100000000, -0.0002079200000000 ] - [ -0.0139627700000000, -0.0031112700000000, 0.0297005000000000 ] - [ 0.0000511100000000, 0.0000142600000000, -0.0006287800000000 ] - [ 0.0001953900000000, -0.0002283000000000, 0.0000975800000000 ] - [ 0.0001989300000000, -0.0002061500000000, 0.0001239000000000 ] - [ -0.0007698700000000, 0.0006735200000000, 0.0027598000000000 ] - [ 0.0001164600000000, 0.0005153900000000, 0.0002284700000000 ] - [ 0.0007780100000000, -0.0000310600000000, -0.0002347000000000 ] - [ 0.0007103700000000, -0.0002927800000000, -0.0002377400000000 ] - [ 0.0001785400000000, -0.0002149800000000, -0.0000974600000000 ] - [ 0.0002106400000000, -0.0001931000000000, -0.0001118900000000 ] - [ -0.0003422700000000, -0.0005451800000000, 0.0002077900000000 ] - [ -0.0003571900000000, -0.0005117500000000, 0.0002296500000000 ] - [ 0.0050318600000000, -0.0068326300000000, -0.0033664500000000 ] - [ 0.0003851300000000, -0.0005129100000000, -0.0001760800000000 ] - [ 0.0000295000000000, -0.0005800700000000, -0.0004031500000000 ] - [ 0.0000031700000000, -0.0005987700000000, -0.0003813700000000 ] - [ -0.0043717500000000, 0.0018005800000000, 0.0027815400000000 ] - [ 0.0003361600000000, 0.0005951600000000, 0.0003342400000000 ] - [ 0.0000604900000000, 0.0000646400000000, -0.0010541900000000 ] - [ -0.0002417600000000, 0.0001685300000000, -0.0001515200000000 ] - [ 0.0000906100000000, 0.0001268800000000, 0.0002074400000000 ] - [ 0.0000882500000000, 0.0001619600000000, 0.0002629100000000 ] - [ -0.0000216100000000, 0.0005788800000000, -0.0001779500000000 ] - [ 0.0000044600000000, 0.0005025500000000, -0.0002007300000000 ] - [ -0.0005979700000000, -0.0001910200000000, 0.0018573300000000 ] - [ 0.0006416900000000, -0.0006629500000000, 0.0004617900000000 ] - [ 0.0004983300000000, 0.0000401100000000, -0.0002513400000000 ] - [ 0.0003149000000000, -0.0000228700000000, -0.0000710800000000 ] - [ -0.0002289800000000, -0.0019697500000000, 0.0016230200000000 ] - [ -0.0002004100000000, -0.0000457500000000, 0.0003062500000000 ] - [ 0.0000914600000000, 0.0000260600000000, 0.0006845400000000 ] - [ 0.0001112900000000, 0.0000341000000000, 0.0006793000000000 ] - [ -0.0041020100000000, 0.0043524700000000, -0.0047715400000000 ] - [ 0.0002105100000000, 0.0001805100000000, -0.0003838500000000 ] - [ -0.0000125400000000, 0.0006133800000000, -0.0002670800000000 ] - [ -0.0000216900000000, 0.0006162600000000, -0.0002795500000000 ] - [ 0.0010796200000000, 0.0001346100000000, -0.0034460300000000 ] - [ 0.0002242200000000, 0.0001369300000000, 0.0004483500000000 ]- atom: 111 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0004689800000000, 0.0006054800000000, -0.0003026400000000 ] - [ 0.0000563600000000, 0.0000502500000000, -0.0002111700000000 ] - [ 0.0004864500000000, 0.0004923300000000, -0.0000333100000000 ] - [ -0.0002239300000000, 0.0003770900000000, -0.0002283800000000 ] - [ -0.0001219500000000, 0.0009748100000000, -0.0001342000000000 ] - [ 0.0001502000000000, 0.0005936700000000, -0.0000189300000000 ] - [ 0.0016505800000000, 0.0010514800000000, 0.0006090800000000 ] - [ -0.0010694200000000, 0.0002774400000000, 0.0001300300000000 ] - [ -0.0010348000000000, -0.0008091000000000, 0.0004441300000000 ] - [ -0.0006420900000000, 0.0012895600000000, 0.0001204600000000 ] - [ 0.0018984400000000, 0.0003425800000000, 0.0001729200000000 ] - [ -0.0002515300000000, -0.0000487800000000, -0.0005582400000000 ] - [ 0.0078148500000000, 0.0027000300000000, -0.0023053700000000 ] - [ -0.0014772400000000, 0.0006691600000000, -0.0003546400000000 ] - [ -0.0001617100000000, -0.0002198100000000, -0.0006024900000000 ] - [ 0.0004187700000000, 0.0010691900000000, -0.0001007200000000 ] - [ -0.0016579000000000, 0.0009168000000000, -0.0011060700000000 ] - [ 0.0003161400000000, -0.0016126700000000, 0.0016858900000000 ] - [ -0.0029427700000000, 0.0015106000000000, 0.0003641600000000 ] - [ -0.0043019500000000, -0.0048209800000000, -0.0031079500000000 ] - [ 0.0071402600000000, -0.0014773100000000, -0.0014098600000000 ] - [ -0.0012957600000000, 0.0000355500000000, -0.0001226400000000 ] - [ 0.0005788200000000, 0.0006831000000000, 0.0003616600000000 ] - [ -0.0001703700000000, 0.0005158100000000, 0.0001698400000000 ] - [ -0.0004750200000000, 0.0010573300000000, -0.0002252000000000 ] - [ -0.0005133500000000, -0.0009303200000000, -0.0000416700000000 ] - [ 0.0008020700000000, -0.0001818200000000, 0.0002619400000000 ] - [ 0.0002024400000000, -0.0003854400000000, 0.0000925900000000 ] - [ -0.0006129400000000, -0.0000954900000000, 0.0001021100000000 ] - [ -0.0005788000000000, -0.0014322000000000, -0.0000931400000000 ] - [ 0.0009820100000000, -0.0008802200000000, 0.0005676300000000 ] - [ -0.0002023200000000, -0.0004762000000000, -0.0003584900000000 ] - [ 0.0228503400000000, -0.0170968600000000, 0.0020951000000000 ] - [ -0.0008359800000000, -0.0010797600000000, 0.0001073900000000 ] - [ -0.0008194200000000, -0.0001926500000000, 0.0005596100000000 ] - [ -0.0009419200000000, 0.0001375900000000, 0.0004862600000000 ] - [ -0.0039457500000000, -0.0033227600000000, -0.0015026900000000 ] - [ -0.0032777800000000, 0.0014385700000000, -0.0004484700000000 ] - [ 0.0005640400000000, -0.0001747100000000, -0.0000027500000000 ] - [ 0.0000260100000000, -0.0003745100000000, -0.0001396600000000 ] - [ 0.0021932300000000, -0.0002074500000000, 0.0007091400000000 ] - [ -0.0004482700000000, -0.0003703300000000, -0.0009979300000000 ] - [ 0.0019583700000000, -0.0012916700000000, 0.0003041700000000 ] - [ -0.0005077500000000, 0.0002805300000000, -0.0000163900000000 ] - [ -0.0004954200000000, -0.0010873400000000, 0.0001279100000000 ] - [ -0.0015915600000000, 0.0007428000000000, -0.0006972300000000 ] - [ -0.0006918000000000, -0.0008997900000000, -0.0003669300000000 ] - [ -0.0007917500000000, -0.0004395000000000, -0.0003689100000000 ] - [ -0.0007230800000000, 0.0000102300000000, -0.0001257200000000 ] - [ -0.0004044700000000, -0.0000029700000000, -0.0000361600000000 ] - [ -0.0005688300000000, -0.0014376400000000, 0.0000731600000000 ] - [ 0.0003550200000000, 0.0002055300000000, 0.0002469400000000 ] - [ 0.0003269500000000, 0.0000571800000000, 0.0000379800000000 ] - [ -0.0001899700000000, 0.0003311500000000, -0.0000619900000000 ] - [ -0.0014005600000000, -0.0001926000000000, -0.0015439100000000 ] - [ 0.0007184700000000, -0.0005934300000000, 0.0006711400000000 ] - [ 0.0000286600000000, 0.0001849200000000, -0.0001354400000000 ] - [ -0.0002803600000000, -0.0009072000000000, 0.0000469800000000 ] - [ 0.0003299400000000, -0.0004938400000000, -0.0005422900000000 ] - [ 0.0004729900000000, 0.0001461500000000, -0.0006418400000000 ] - [ 0.0000691100000000, -0.0048559100000000, -0.0057547500000000 ] - [ 0.0005501100000000, -0.0002071500000000, 0.0002018000000000 ] - [ -0.0002385900000000, 0.0000551600000000, 0.0001320200000000 ] - [ 0.0000199800000000, 0.0001764900000000, 0.0002019300000000 ] - [ 0.0001337500000000, -0.0013963800000000, -0.0000218600000000 ] - [ 0.0000156800000000, 0.0006343400000000, -0.0009197300000000 ] - [ 0.0020835900000000, 0.0004166700000000, 0.0006695600000000 ] - [ 0.0113696600000000, -0.0011995400000000, -0.0062416400000000 ] - [ 0.0001605600000000, 0.0004736200000000, -0.0000557400000000 ] - [ 0.0003572700000000, -0.0002486500000000, -0.0001127500000000 ] - [ -0.0002028300000000, 0.0003383500000000, 0.0003053900000000 ] - [ -0.0005369400000000, -0.0001156100000000, 0.0001563800000000 ] - [ 0.0000056100000000, 0.0001982000000000, 0.0000794400000000 ] - [ 0.0002650700000000, 0.0001685400000000, 0.0001849600000000 ] - [ -0.0002923400000000, -0.0000534600000000, -0.0004713900000000 ] - [ -0.0001573300000000, 0.0002916600000000, -0.0004036300000000 ] - [ 0.0002078100000000, -0.0001095800000000, -0.0002518200000000 ] - [ 0.0004832800000000, -0.0001478600000000, -0.0002179200000000 ] - [ 0.0000619600000000, -0.0002642500000000, 0.0000243800000000 ] - [ 0.0000903000000000, -0.0004895600000000, -0.0000036100000000 ] - [ -0.0015955600000000, 0.0000907200000000, -0.0007058900000000 ] - [ 0.0002571800000000, -0.0002069100000000, 0.0002035500000000 ] - [ -0.0020212400000000, -0.0025127400000000, 0.0026160300000000 ] - [ -0.0001413800000000, -0.0000889600000000, 0.0003985800000000 ] - [ -0.0001080800000000, -0.0005621400000000, -0.0001695900000000 ] - [ 0.0003966100000000, 0.0003011900000000, 0.0001120400000000 ] - [ 0.0001432400000000, -0.0006528300000000, 0.0003413100000000 ] - [ 0.0006156700000000, -0.0007017500000000, 0.0004063500000000 ] - [ 0.0002480900000000, 0.0001660800000000, -0.0001420900000000 ] - [ -0.0005512900000000, 0.0016191200000000, 0.0002169900000000 ] - [ 0.0006615400000000, 0.0003518400000000, -0.0001146300000000 ] - [ 0.0002921000000000, -0.0007424400000000, 0.0049687200000000 ] - [ -0.0007988200000000, 0.0000878000000000, 0.0000243300000000 ] - [ -0.0005305100000000, 0.0001894700000000, 0.0000920100000000 ] - [ -0.0004979900000000, 0.0005473900000000, -0.0019450900000000 ] - [ 0.0003236400000000, 0.0001961400000000, 0.0001964000000000 ] - [ 0.0014802400000000, 0.0010916300000000, -0.0007237600000000 ] - [ 0.0015744100000000, -0.0006346500000000, 0.0004777100000000 ] - [ -0.0005607500000000, 0.0004088000000000, 0.0002532000000000 ] - [ 0.0000361200000000, -0.0002688600000000, 0.0007510000000000 ] - [ -0.0000742200000000, 0.0002075300000000, -0.0000376100000000 ] - [ 0.0001907000000000, -0.0000944300000000, 0.0001183000000000 ] - [ -0.0001380500000000, 0.0005206800000000, 0.0000389000000000 ] - [ 0.0003322200000000, 0.0005311800000000, 0.0002240900000000 ] - [ -0.0024885200000000, 0.0035391700000000, -0.0003978800000000 ] - [ 0.0011830500000000, -0.0000323000000000, -0.0000260600000000 ] - [ 0.0011640300000000, 0.0062269300000000, 0.0004578700000000 ] - [ 0.0007011600000000, -0.0002997300000000, -0.0005631900000000 ] - [ -0.0000076400000000, -0.0003080100000000, 0.0000479500000000 ] - [ 0.0003893900000000, -0.0002175800000000, 0.0001614300000000 ] - [ -0.0495157800000000, 0.0268878600000000, 0.0107150300000000 ] - [ 0.0008189200000000, 0.0005415700000000, 0.0002998600000000 ] - [ 0.0006714600000000, -0.0001813500000000, -0.0003226900000000 ] - [ 0.0007759200000000, -0.0004516200000000, -0.0002506100000000 ] - [ -0.0001524600000000, -0.0002382100000000, -0.0001661700000000 ] - [ 0.0004206400000000, -0.0002031200000000, -0.0000476300000000 ] - [ -0.0001663700000000, -0.0009149000000000, 0.0001663900000000 ] - [ -0.0003157000000000, 0.0001174100000000, 0.0002885600000000 ] - [ -0.0005059900000000, -0.0010736500000000, -0.0001744100000000 ] - [ 0.0006407200000000, -0.0005313000000000, -0.0001575600000000 ] - [ 0.0000851900000000, -0.0006470900000000, -0.0003595500000000 ] - [ -0.0000495600000000, -0.0006321300000000, -0.0003862400000000 ] - [ -0.0017841700000000, -0.0008332600000000, 0.0007647800000000 ] - [ 0.0005428700000000, 0.0006283700000000, 0.0003508600000000 ] - [ 0.0000811800000000, 0.0002879500000000, -0.0004915000000000 ] - [ 0.0008473100000000, 0.0003022300000000, 0.0005537400000000 ] - [ -0.0000817700000000, 0.0001189200000000, 0.0002160400000000 ] - [ 0.0002421600000000, 0.0001282300000000, 0.0003039900000000 ] - [ 0.0000348800000000, 0.0005153000000000, -0.0001932500000000 ] - [ -0.0000598500000000, 0.0005236400000000, -0.0002281400000000 ] - [ 0.0004553900000000, 0.0003298900000000, 0.0003304700000000 ] - [ 0.0000125400000000, -0.0014601700000000, -0.0001393700000000 ] - [ 0.0005382500000000, 0.0000847200000000, -0.0000043700000000 ] - [ 0.0002249400000000, -0.0003401300000000, -0.0000033200000000 ] - [ 0.0116617400000000, -0.0026323900000000, 0.0005496000000000 ] - [ 0.0012428200000000, 0.0001563400000000, 0.0004177900000000 ] - [ 0.0000565100000000, -0.0002333600000000, 0.0006674900000000 ] - [ 0.0002090300000000, 0.0001975600000000, 0.0006810100000000 ] - [ 0.0005971400000000, 0.0005238300000000, 0.0009653500000000 ] - [ 0.0010419300000000, -0.0002389800000000, -0.0004599600000000 ] - [ 0.0002298100000000, 0.0004151800000000, -0.0002036000000000 ] - [ -0.0002904600000000, 0.0008406600000000, -0.0003984200000000 ] - [ -0.0005248500000000, 0.0005243000000000, -0.0003926500000000 ] - [ 0.0008906500000000, -0.0001414100000000, 0.0007216800000000 ]- atom: 111 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0000592900000000, 0.0000320400000000, -0.0002110000000000 ] - [ -0.0004609900000000, 0.0005864200000000, -0.0003009800000000 ] - [ -0.0002749300000000, 0.0002531900000000, -0.0002301100000000 ] - [ 0.0004337700000000, 0.0003706600000000, -0.0000357300000000 ] - [ 0.0001827800000000, 0.0004795900000000, -0.0000093200000000 ] - [ -0.0000849900000000, 0.0008596500000000, -0.0001235800000000 ] - [ -0.0020571800000000, -0.0004550900000000, 0.0000908600000000 ] - [ 0.0006577500000000, 0.0003080500000000, 0.0005620800000000 ] - [ -0.0000178800000000, 0.0008154600000000, 0.0002561400000000 ] - [ -0.0003977100000000, -0.0012815000000000, 0.0005829300000000 ] - [ -0.0008478000000000, -0.0003278800000000, -0.0008793700000000 ] - [ 0.0012983400000000, 0.0000503100000000, -0.0001440800000000 ] - [ -0.0078498700000000, -0.0012949900000000, 0.0025295800000000 ] - [ 0.0014108100000000, 0.0007895800000000, 0.0004954900000000 ] - [ 0.0005670500000000, 0.0008094800000000, -0.0000922300000000 ] - [ -0.0000022600000000, -0.0004815500000000, -0.0005908400000000 ] - [ 0.0014431400000000, -0.0001701400000000, 0.0013749000000000 ] - [ -0.0005158800000000, 0.0023525600000000, -0.0014052000000000 ] - [ 0.0025739000000000, -0.0004930600000000, -0.0008901700000000 ] - [ 0.0039984800000000, 0.0058447400000000, 0.0025967300000000 ] - [ -0.0067432900000000, 0.0020989900000000, 0.0018987600000000 ] - [ 0.0017019500000000, 0.0006075000000000, 0.0006354500000000 ] - [ -0.0002012300000000, 0.0003370000000000, 0.0001544600000000 ] - [ 0.0005464200000000, 0.0005073400000000, 0.0003461800000000 ] - [ 0.0001661800000000, -0.0009864100000000, 0.0000400600000000 ] - [ 0.0002114000000000, 0.0009993800000000, -0.0001414800000000 ] - [ 0.0001756900000000, -0.0005264400000000, 0.0000838500000000 ] - [ 0.0007765500000000, -0.0003246100000000, 0.0002533900000000 ] - [ -0.0001634000000000, -0.0012975200000000, 0.0001533700000000 ] - [ -0.0001906200000000, 0.0000342300000000, 0.0003498400000000 ] - [ -0.0002116300000000, -0.0005198400000000, -0.0008294200000000 ] - [ 0.0009760000000000, -0.0009134100000000, 0.0000974900000000 ] - [ -0.0218502800000000, 0.0166759800000000, -0.0014517100000000 ] - [ 0.0022368300000000, -0.0002967100000000, 0.0006100300000000 ] - [ -0.0009067200000000, 0.0000345900000000, 0.0004918700000000 ] - [ -0.0007803100000000, -0.0002948500000000, 0.0005660100000000 ] - [ 0.0029714700000000, 0.0026355500000000, 0.0011693800000000 ] - [ 0.0022901200000000, -0.0021309800000000, 0.0001067400000000 ] - [ 0.0000270400000000, -0.0005071700000000, -0.0001383200000000 ] - [ 0.0005658300000000, -0.0003093800000000, -0.0000013600000000 ] - [ -0.0004705900000000, 0.0000480200000000, -0.0017756300000000 ] - [ 0.0021702300000000, 0.0002037000000000, -0.0000631200000000 ] - [ -0.0016637000000000, 0.0013623700000000, -0.0001157600000000 ] - [ 0.0008073800000000, -0.0001989700000000, 0.0002062300000000 ] - [ -0.0001090400000000, 0.0004027400000000, 0.0000177000000000 ] - [ 0.0009985200000000, -0.0014231700000000, 0.0008458300000000 ] - [ -0.0007165300000000, -0.0004720800000000, -0.0003603700000000 ] - [ -0.0006123000000000, -0.0009322300000000, -0.0003563000000000 ] - [ -0.0003972200000000, 0.0000563700000000, -0.0000376700000000 ] - [ -0.0007148300000000, 0.0000693200000000, -0.0001270600000000 ] - [ 0.0002380700000000, 0.0014038300000000, 0.0001837100000000 ] - [ -0.0006903300000000, -0.0002357600000000, 0.0000095700000000 ] - [ -0.0000939700000000, 0.0003183500000000, -0.0000590400000000 ] - [ 0.0004192300000000, 0.0000440700000000, 0.0000396700000000 ] - [ 0.0013608700000000, -0.0010355200000000, 0.0022937500000000 ] - [ -0.0007478300000000, -0.0006291600000000, 0.0000788300000000 ] - [ -0.0004179600000000, -0.0006208500000000, -0.0001111600000000 ] - [ -0.0001155100000000, 0.0004689100000000, -0.0002950500000000 ] - [ 0.0002987800000000, 0.0002375000000000, -0.0007359600000000 ] - [ 0.0001524300000000, -0.0003999500000000, -0.0006370000000000 ] - [ -0.0001707000000000, 0.0041727500000000, 0.0057686500000000 ] - [ -0.0006772100000000, -0.0004887300000000, -0.0001991500000000 ] - [ 0.0000320500000000, 0.0002414900000000, 0.0002054600000000 ] - [ -0.0002268300000000, 0.0001205900000000, 0.0001355500000000 ] - [ -0.0009896100000000, 0.0001322100000000, -0.0007025800000000 ] - [ -0.0008720900000000, -0.0018960700000000, 0.0001917600000000 ] - [ -0.0009705600000000, -0.0003544300000000, -0.0005108100000000 ] - [ -0.0100124200000000, 0.0012379100000000, 0.0062489500000000 ] - [ 0.0001780500000000, -0.0005053500000000, -0.0002007100000000 ] - [ -0.0000226900000000, 0.0002152700000000, -0.0001451600000000 ] - [ -0.0005805900000000, 0.0000114000000000, 0.0001649400000000 ] - [ -0.0002495100000000, 0.0004661800000000, 0.0003131400000000 ] - [ 0.0002594200000000, 0.0002241000000000, 0.0001886500000000 ] - [ -0.0000010000000000, 0.0002536000000000, 0.0000826000000000 ] - [ -0.0001837400000000, 0.0003455000000000, -0.0004315800000000 ] - [ -0.0003207200000000, 0.0000015200000000, -0.0004999600000000 ] - [ 0.0004890500000000, -0.0001011000000000, -0.0002224800000000 ] - [ 0.0002123500000000, -0.0000630100000000, -0.0002567400000000 ] - [ 0.0000681200000000, -0.0004324100000000, -0.0000263600000000 ] - [ 0.0000374200000000, -0.0002067300000000, 0.0000011600000000 ] - [ 0.0008175700000000, -0.0002333800000000, 0.0007273800000000 ] - [ -0.0010276500000000, 0.0000664300000000, -0.0001814500000000 ] - [ 0.0006391500000000, 0.0019044100000000, -0.0020382500000000 ] - [ -0.0012585200000000, -0.0005046600000000, 0.0001642100000000 ] - [ 0.0000424700000000, 0.0007120600000000, 0.0000639400000000 ] - [ -0.0004643600000000, -0.0001458200000000, -0.0002186200000000 ] - [ 0.0007125500000000, -0.0006135600000000, 0.0003796900000000 ] - [ 0.0002403800000000, -0.0005682300000000, 0.0003149100000000 ] - [ -0.0004588100000000, 0.0009252900000000, -0.0001714400000000 ] - [ 0.0003323300000000, -0.0005234800000000, -0.0005307800000000 ] - [ -0.0008215700000000, -0.0000442400000000, -0.0004068500000000 ] - [ -0.0004705500000000, 0.0010449000000000, -0.0054502200000000 ] - [ -0.0005304800000000, 0.0002613700000000, 0.0000891400000000 ] - [ -0.0007993400000000, 0.0001611200000000, 0.0000211800000000 ] - [ 0.0002583200000000, -0.0001638700000000, 0.0019728300000000 ] - [ -0.0005545500000000, 0.0001770300000000, -0.0001755400000000 ] - [ -0.0001492300000000, -0.0007479000000000, 0.0006146600000000 ] - [ -0.0002429100000000, 0.0009770500000000, -0.0005878900000000 ] - [ -0.0000615500000000, -0.0006605500000000, 0.0010262900000000 ] - [ -0.0006627000000000, 0.0000112500000000, 0.0005270500000000 ] - [ 0.0001447800000000, -0.0000538800000000, 0.0001455200000000 ] - [ -0.0001242700000000, 0.0002456600000000, -0.0000112600000000 ] - [ 0.0003493200000000, 0.0005712700000000, 0.0002756400000000 ] - [ -0.0001197400000000, 0.0005579700000000, 0.0000905400000000 ] - [ 0.0032414700000000, -0.0032309900000000, -0.0000782300000000 ] - [ -0.0003976800000000, 0.0003836900000000, -0.0004452400000000 ] - [ -0.0013648200000000, -0.0062155800000000, -0.0018192400000000 ] - [ -0.0009013800000000, 0.0003627900000000, -0.0007879900000000 ] - [ 0.0003987800000000, -0.0001288400000000, 0.0001990800000000 ] - [ 0.0000023500000000, -0.0002163900000000, 0.0000856200000000 ] - [ 0.0498895400000000, -0.0266772500000000, -0.0101461900000000 ] - [ -0.0007814400000000, 0.0005548900000000, 0.0001214500000000 ] - [ 0.0007307200000000, -0.0004131400000000, -0.0002402700000000 ] - [ 0.0006242000000000, -0.0001427900000000, -0.0003130300000000 ] - [ 0.0005465800000000, -0.0001648200000000, -0.0000632300000000 ] - [ -0.0000256100000000, -0.0001962200000000, -0.0001811500000000 ] - [ -0.0005389200000000, -0.0001219300000000, 0.0002722700000000 ] - [ -0.0003936600000000, -0.0011512100000000, 0.0001487200000000 ] - [ 0.0012156900000000, 0.0000411400000000, -0.0002628600000000 ] - [ 0.0000659100000000, -0.0005080700000000, -0.0002809500000000 ] - [ -0.0000532000000000, -0.0005748500000000, -0.0003906100000000 ] - [ 0.0000798300000000, -0.0005894800000000, -0.0003644500000000 ] - [ 0.0018139000000000, 0.0020706300000000, -0.0002095600000000 ] - [ -0.0005005100000000, 0.0005937400000000, 0.0002080300000000 ] - [ -0.0003384000000000, 0.0001344300000000, 0.0002284000000000 ] - [ -0.0011083300000000, 0.0001168700000000, -0.0008176400000000 ] - [ 0.0002418600000000, 0.0001904200000000, 0.0003063800000000 ] - [ -0.0000809200000000, 0.0001807800000000, 0.0002186900000000 ] - [ -0.0000705600000000, 0.0005830500000000, -0.0002274300000000 ] - [ 0.0000225800000000, 0.0005748900000000, -0.0001928800000000 ] - [ -0.0008485100000000, -0.0007328500000000, -0.0001020500000000 ] - [ -0.0004170400000000, 0.0010520800000000, 0.0003634500000000 ] - [ 0.0002351800000000, -0.0002261600000000, -0.0000172600000000 ] - [ 0.0005455300000000, 0.0001991100000000, -0.0000189400000000 ] - [ -0.0125953100000000, 0.0024883900000000, -0.0000894600000000 ] - [ -0.0019310800000000, -0.0003670600000000, 0.0000562000000000 ] - [ 0.0001468100000000, 0.0002998200000000, 0.0006839000000000 ] - [ -0.0000078100000000, -0.0001299600000000, 0.0006700700000000 ] - [ -0.0003855100000000, -0.0002306700000000, -0.0013070800000000 ] - [ -0.0008302500000000, 0.0005311200000000, 0.0001150600000000 ] - [ -0.0002702300000000, 0.0008097000000000, -0.0003553800000000 ] - [ 0.0002459900000000, 0.0003839800000000, -0.0001609200000000 ] - [ 0.0010092800000000, -0.0002319100000000, 0.0012952300000000 ] - [ -0.0004139700000000, 0.0004293700000000, 0.0001816100000000 ]- atom: 111 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001315500000000, -0.0006635800000000, -0.0001879300000000 ] - [ -0.0005672400000000, -0.0013254700000000, -0.0003409200000000 ] - [ 0.0000540300000000, -0.0015854300000000, -0.0000702800000000 ] - [ 0.0000623900000000, -0.0004120500000000, -0.0001410000000000 ] - [ 0.0003498600000000, -0.0004092400000000, 0.0000260500000000 ] - [ -0.0001702300000000, -0.0006425700000000, -0.0001364200000000 ] - [ -0.0001241600000000, -0.0027437900000000, -0.0019159900000000 ] - [ -0.0001491300000000, 0.0002231600000000, 0.0003455100000000 ] - [ -0.0016633300000000, -0.0003671300000000, 0.0002506400000000 ] - [ 0.0014946400000000, -0.0012797900000000, 0.0009766400000000 ] - [ 0.0003636200000000, -0.0032971400000000, 0.0015328600000000 ] - [ 0.0005074000000000, -0.0001584200000000, -0.0003436700000000 ] - [ 0.0021887500000000, 0.0118098200000000, -0.0044620200000000 ] - [ 0.0001179600000000, 0.0016600000000000, 0.0001077200000000 ] - [ -0.0005843200000000, -0.0000740100000000, -0.0006870800000000 ] - [ 0.0016003100000000, -0.0011744600000000, -0.0000878600000000 ] - [ 0.0006542800000000, 0.0017460300000000, 0.0006018400000000 ] - [ -0.0009001600000000, 0.0033666200000000, -0.0000044500000000 ] - [ 0.0009282900000000, 0.0015362100000000, -0.0003729100000000 ] - [ -0.0067370300000000, 0.0039921300000000, -0.0022800800000000 ] - [ -0.0021782600000000, 0.0151541700000000, 0.0078056600000000 ] - [ 0.0002114700000000, 0.0012033800000000, 0.0002594200000000 ] - [ 0.0001466500000000, -0.0015126000000000, 0.0001789000000000 ] - [ 0.0001491900000000, -0.0002048700000000, 0.0002517900000000 ] - [ 0.0013095800000000, -0.0009128100000000, 0.0002693300000000 ] - [ -0.0010580400000000, -0.0005327400000000, -0.0000504800000000 ] - [ 0.0006987600000000, -0.0019890800000000, 0.0001697000000000 ] - [ 0.0003957700000000, -0.0010192300000000, 0.0001430900000000 ] - [ 0.0005461300000000, -0.0013598100000000, 0.0004802100000000 ] - [ -0.0011352300000000, -0.0012830000000000, -0.0003256000000000 ] - [ -0.0006286200000000, -0.0025198500000000, -0.0006478500000000 ] - [ 0.0006683500000000, -0.0006688300000000, -0.0000070000000000 ] - [ -0.0160850000000000, 0.0335922800000000, -0.0021632500000000 ] - [ 0.0005172200000000, -0.0000657600000000, 0.0003390100000000 ] - [ -0.0011464600000000, -0.0011062200000000, 0.0004714100000000 ] - [ -0.0005930000000000, -0.0010391900000000, 0.0006226300000000 ] - [ -0.0030215300000000, 0.0031421100000000, -0.0005089800000000 ] - [ 0.0006634200000000, 0.0012951300000000, -0.0000163400000000 ] - [ 0.0003905900000000, -0.0018400400000000, 0.0000401200000000 ] - [ 0.0001874700000000, -0.0010058100000000, -0.0000890000000000 ] - [ 0.0009446200000000, 0.0025437500000000, -0.0003832300000000 ] - [ 0.0006877700000000, 0.0005203700000000, -0.0006173700000000 ] - [ -0.0011261700000000, -0.0033945100000000, 0.0000505200000000 ] - [ 0.0004813300000000, 0.0000208500000000, 0.0001412200000000 ] - [ -0.0015196800000000, 0.0016517400000000, -0.0002520000000000 ] - [ 0.0005653000000000, 0.0011068700000000, 0.0004889200000000 ] - [ -0.0010264600000000, -0.0018405200000000, -0.0004645200000000 ] - [ -0.0004132100000000, -0.0017053700000000, -0.0003123300000000 ] - [ -0.0006108500000000, 0.0009731200000000, -0.0001166100000000 ] - [ -0.0006324800000000, 0.0004214300000000, -0.0001086700000000 ] - [ -0.0017865800000000, 0.0018771300000000, -0.0000352200000000 ] - [ 0.0001253700000000, -0.0000679200000000, 0.0001713500000000 ] - [ -0.0000695200000000, 0.0004747200000000, -0.0000605700000000 ] - [ 0.0006036400000000, 0.0009413800000000, 0.0002839100000000 ] - [ 0.0003084300000000, -0.0045687200000000, 0.0005415900000000 ] - [ -0.0000794100000000, -0.0010967600000000, 0.0003746500000000 ] - [ 0.0002491600000000, -0.0003444500000000, -0.0000435100000000 ] - [ -0.0010019600000000, -0.0004143600000000, -0.0005013900000000 ] - [ -0.0002546500000000, 0.0004357400000000, -0.0009280900000000 ] - [ 0.0005839700000000, 0.0000904100000000, -0.0005649300000000 ] - [ -0.0047330800000000, 0.0020451500000000, 0.0082222800000000 ] - [ -0.0000157500000000, -0.0006731000000000, 0.0000129000000000 ] - [ -0.0000391600000000, 0.0009244200000000, 0.0002225400000000 ] - [ -0.0000295800000000, 0.0005033900000000, 0.0001934400000000 ] - [ -0.0010920500000000, -0.0009124000000000, -0.0005536700000000 ] - [ 0.0005336400000000, -0.0008520600000000, -0.0009146000000000 ] - [ 0.0003050500000000, -0.0008093400000000, -0.0000704000000000 ] - [ -0.0006433000000000, -0.0040795900000000, 0.0000131800000000 ] - [ 0.0009195600000000, 0.0009141200000000, 0.0000909600000000 ] - [ -0.0002163900000000, 0.0002680200000000, -0.0002341700000000 ] - [ -0.0001148300000000, 0.0005337700000000, 0.0003252800000000 ] - [ -0.0006226800000000, 0.0009352100000000, 0.0002384400000000 ] - [ 0.0001321400000000, 0.0009192900000000, 0.0001626700000000 ] - [ 0.0000412400000000, 0.0006231300000000, 0.0001194200000000 ] - [ -0.0003976400000000, 0.0007045500000000, -0.0005285200000000 ] - [ -0.0000148200000000, 0.0005801100000000, -0.0003443000000000 ] - [ 0.0003598200000000, 0.0006562800000000, -0.0002554400000000 ] - [ 0.0002675500000000, 0.0003189400000000, -0.0002739100000000 ] - [ 0.0001746600000000, 0.0001737700000000, 0.0000483100000000 ] - [ -0.0000958100000000, 0.0003206700000000, -0.0000382000000000 ] - [ 0.0003956500000000, -0.0003795300000000, 0.0000819200000000 ] - [ -0.0004443600000000, -0.0002312600000000, -0.0000231800000000 ] - [ -0.0025622500000000, 0.0016384600000000, -0.0050546500000000 ] - [ -0.0006318800000000, -0.0005669500000000, 0.0002968600000000 ] - [ -0.0007709800000000, 0.0007023100000000, -0.0002307600000000 ] - [ 0.0002705700000000, -0.0000158200000000, 0.0000792700000000 ] - [ 0.0004004200000000, 0.0007565500000000, 0.0002502200000000 ] - [ 0.0003644000000000, -0.0003679000000000, 0.0003356500000000 ] - [ -0.0004929600000000, 0.0003340100000000, -0.0002497200000000 ] - [ 0.0006253100000000, 0.0004354700000000, 0.0008339600000000 ] - [ -0.0001146600000000, -0.0005282000000000, -0.0002532700000000 ] - [ -0.0012508300000000, -0.0031719900000000, -0.0010233800000000 ] - [ -0.0008048100000000, 0.0010853300000000, -0.0000211200000000 ] - [ -0.0006209700000000, 0.0004966200000000, 0.0000667200000000 ] - [ -0.0014174400000000, 0.0023527100000000, 0.0006791100000000 ] - [ 0.0000000900000000, -0.0000171900000000, 0.0000576900000000 ] - [ 0.0015527000000000, -0.0008395800000000, 0.0000018900000000 ] - [ 0.0000223900000000, -0.0005779400000000, -0.0002976700000000 ] - [ 0.0006116900000000, 0.0008606800000000, 0.0004054600000000 ] - [ -0.0005872100000000, -0.0001856200000000, 0.0005581300000000 ] - [ 0.0006146000000000, 0.0007221500000000, 0.0002247400000000 ] - [ -0.0002841900000000, 0.0003237400000000, -0.0000195500000000 ] - [ -0.0000162700000000, 0.0016668000000000, 0.0002230000000000 ] - [ 0.0001305100000000, 0.0007908500000000, 0.0001756600000000 ] - [ 0.0037016600000000, 0.0131238800000000, 0.0006097400000000 ] - [ 0.0002591600000000, 0.0000446400000000, -0.0002637500000000 ] - [ 0.0061793100000000, 0.0048239800000000, 0.0008500700000000 ] - [ -0.0003836700000000, -0.0002705500000000, -0.0007162800000000 ] - [ 0.0000958900000000, 0.0008962600000000, 0.0001257700000000 ] - [ 0.0001856000000000, 0.0000030500000000, 0.0001254500000000 ] - [ 0.0275584200000000, -0.0796820200000000, -0.0031090200000000 ] - [ 0.0000114400000000, 0.0000529400000000, 0.0001940500000000 ] - [ 0.0008525100000000, 0.0002231100000000, -0.0002746800000000 ] - [ 0.0005158000000000, 0.0002011500000000, -0.0003348900000000 ] - [ 0.0001681800000000, 0.0012703000000000, -0.0000946300000000 ] - [ 0.0001661100000000, 0.0000298000000000, -0.0001238900000000 ] - [ -0.0008479000000000, -0.0001598700000000, 0.0002089500000000 ] - [ 0.0001797800000000, 0.0000485600000000, 0.0003783900000000 ] - [ 0.0008426600000000, 0.0012942100000000, 0.0002695900000000 ] - [ 0.0002611100000000, -0.0005634100000000, -0.0002383900000000 ] - [ 0.0000260700000000, -0.0000835100000000, -0.0003555900000000 ] - [ -0.0000287400000000, 0.0001234000000000, -0.0003334500000000 ] - [ -0.0010080800000000, 0.0055498000000000, -0.0006734500000000 ] - [ 0.0001800700000000, 0.0004168400000000, 0.0003038100000000 ] - [ -0.0006902200000000, -0.0013673700000000, -0.0002371100000000 ] - [ -0.0000467400000000, -0.0006616100000000, 0.0002767500000000 ] - [ 0.0000512700000000, 0.0009632700000000, 0.0002501400000000 ] - [ 0.0000059500000000, 0.0005233000000000, 0.0002398900000000 ] - [ 0.0000153500000000, 0.0011124800000000, -0.0002145700000000 ] - [ 0.0000077700000000, 0.0012998500000000, -0.0002554800000000 ] - [ 0.0005017100000000, -0.0004098100000000, 0.0003194200000000 ] - [ -0.0019490500000000, -0.0001192100000000, -0.0001346900000000 ] - [ 0.0006390400000000, 0.0002889700000000, 0.0000223700000000 ] - [ 0.0002156800000000, 0.0006920200000000, -0.0001353000000000 ] - [ -0.0041273600000000, -0.0033439800000000, 0.0001104700000000 ] - [ -0.0000908500000000, -0.0009871400000000, -0.0000433000000000 ] - [ -0.0001379100000000, 0.0007199600000000, 0.0006421300000000 ] - [ 0.0003560900000000, 0.0004576900000000, 0.0006952600000000 ] - [ 0.0006872800000000, -0.0012139900000000, 0.0000879200000000 ] - [ -0.0000614000000000, -0.0006736400000000, -0.0001696500000000 ] - [ -0.0002457800000000, 0.0009215300000000, -0.0003413400000000 ] - [ 0.0005620500000000, 0.0013448500000000, -0.0003217100000000 ] - [ 0.0020485800000000, -0.0002529800000000, 0.0010773600000000 ] - [ 0.0000104800000000, -0.0001678200000000, 0.0003533400000000 ]- atom: 111 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005378300000000, 0.0013041400000000, -0.0003246700000000 ] - [ 0.0001571200000000, 0.0019637100000000, -0.0001726100000000 ] - [ 0.0001567800000000, 0.0023366200000000, -0.0001940500000000 ] - [ 0.0001483100000000, 0.0011601700000000, -0.0001224000000000 ] - [ -0.0002855600000000, 0.0018659900000000, -0.0001683900000000 ] - [ 0.0002310200000000, 0.0020989400000000, -0.0000068300000000 ] - [ -0.0002782600000000, 0.0033320200000000, 0.0025942500000000 ] - [ -0.0002609400000000, 0.0003683700000000, 0.0003479100000000 ] - [ 0.0006198700000000, 0.0003678000000000, 0.0004518700000000 ] - [ -0.0025550100000000, 0.0012838100000000, -0.0002780400000000 ] - [ 0.0006872000000000, 0.0032979500000000, -0.0022191200000000 ] - [ 0.0005393300000000, 0.0001674700000000, -0.0003587300000000 ] - [ -0.0023771700000000, -0.0105367000000000, 0.0049244300000000 ] - [ -0.0001809400000000, -0.0002094400000000, 0.0000354600000000 ] - [ 0.0009972500000000, 0.0006582600000000, -0.0000051200000000 ] - [ -0.0011973100000000, 0.0017618600000000, -0.0006065800000000 ] - [ -0.0008692400000000, -0.0009941300000000, -0.0003441000000000 ] - [ 0.0006906500000000, -0.0026041500000000, 0.0002688500000000 ] - [ -0.0013166200000000, -0.0005061700000000, -0.0001380300000000 ] - [ 0.0063933100000000, -0.0029053500000000, 0.0017727700000000 ] - [ 0.0027777100000000, -0.0149524900000000, -0.0078171000000000 ] - [ 0.0001950900000000, -0.0005707600000000, 0.0002530400000000 ] - [ 0.0002296400000000, 0.0025394700000000, 0.0003379700000000 ] - [ 0.0002270300000000, 0.0012280600000000, 0.0002641800000000 ] - [ -0.0016077200000000, 0.0009921800000000, -0.0004523800000000 ] - [ 0.0007523000000000, 0.0006103100000000, -0.0001322100000000 ] - [ 0.0002790600000000, 0.0012781600000000, 0.0001752900000000 ] - [ 0.0005811700000000, 0.0003121900000000, 0.0002024600000000 ] - [ -0.0013159900000000, -0.0000290900000000, -0.0002214400000000 ] - [ 0.0003625000000000, -0.0001061900000000, 0.0005810600000000 ] - [ 0.0014076500000000, 0.0011313800000000, 0.0003925200000000 ] - [ 0.0001038300000000, -0.0007269900000000, -0.0002540000000000 ] - [ 0.0159860400000000, -0.0330871900000000, 0.0026874500000000 ] - [ 0.0008888100000000, -0.0013048800000000, 0.0003784000000000 ] - [ -0.0005750700000000, 0.0009501300000000, 0.0005816100000000 ] - [ -0.0011326600000000, 0.0008827700000000, 0.0004286700000000 ] - [ 0.0020348800000000, -0.0038890000000000, 0.0001634100000000 ] - [ -0.0016328400000000, -0.0020201600000000, -0.0003226900000000 ] - [ 0.0002039900000000, 0.0011595100000000, -0.0001807000000000 ] - [ 0.0004051100000000, 0.0003259100000000, -0.0000530800000000 ] - [ 0.0007800600000000, -0.0027002200000000, -0.0006749300000000 ] - [ 0.0010386600000000, -0.0006829400000000, -0.0004410700000000 ] - [ 0.0014399400000000, 0.0034839600000000, 0.0001425200000000 ] - [ -0.0001830900000000, 0.0000525300000000, 0.0000486600000000 ] - [ 0.0009248400000000, -0.0023471600000000, 0.0004043400000000 ] - [ -0.0011544300000000, -0.0018062500000000, -0.0003351700000000 ] - [ -0.0003761700000000, 0.0004722200000000, -0.0002650700000000 ] - [ -0.0009951500000000, 0.0003338100000000, -0.0004151700000000 ] - [ -0.0005080900000000, -0.0009082400000000, -0.0000467500000000 ] - [ -0.0004868100000000, -0.0003568900000000, -0.0000549500000000 ] - [ 0.0014416200000000, -0.0019075000000000, 0.0002924800000000 ] - [ -0.0004600100000000, 0.0000341400000000, 0.0000862700000000 ] - [ 0.0003001100000000, -0.0001023900000000, 0.0000391100000000 ] - [ -0.0003708000000000, -0.0005680400000000, -0.0003037900000000 ] - [ -0.0003376500000000, 0.0033586300000000, 0.0002123200000000 ] - [ 0.0000498100000000, -0.0001246200000000, 0.0003754800000000 ] - [ -0.0006413100000000, -0.0000875500000000, -0.0002041000000000 ] - [ 0.0006137500000000, -0.0000137300000000, 0.0002557700000000 ] - [ 0.0008785700000000, -0.0006930400000000, -0.0003511700000000 ] - [ 0.0000429300000000, -0.0003477200000000, -0.0007129100000000 ] - [ 0.0045651500000000, -0.0027524200000000, -0.0081703900000000 ] - [ -0.0001120500000000, -0.0000253400000000, -0.0000108600000000 ] - [ -0.0001671900000000, -0.0006294000000000, 0.0001154300000000 ] - [ -0.0001754900000000, -0.0002089600000000, 0.0001445600000000 ] - [ 0.0002367900000000, -0.0003621300000000, -0.0001665700000000 ] - [ -0.0013870500000000, -0.0004230200000000, 0.0001916900000000 ] - [ 0.0008203100000000, 0.0008781400000000, 0.0002367500000000 ] - [ 0.0017030200000000, 0.0041623900000000, 0.0001805000000000 ] - [ -0.0005869600000000, -0.0009475500000000, -0.0003490600000000 ] - [ 0.0005538300000000, -0.0002987200000000, -0.0000227600000000 ] - [ -0.0006711000000000, -0.0001828700000000, 0.0001447600000000 ] - [ -0.0001606300000000, -0.0005855800000000, 0.0002317000000000 ] - [ 0.0001311200000000, -0.0004983900000000, 0.0001059300000000 ] - [ 0.0002234500000000, -0.0002022900000000, 0.0001495200000000 ] - [ -0.0000821200000000, -0.0004145000000000, -0.0003748200000000 ] - [ -0.0004627300000000, -0.0002898300000000, -0.0005578200000000 ] - [ 0.0003353900000000, -0.0008684400000000, -0.0002196300000000 ] - [ 0.0004294900000000, -0.0005311400000000, -0.0002009900000000 ] - [ -0.0000477000000000, -0.0008712200000000, -0.0000509300000000 ] - [ 0.0002238700000000, -0.0010184400000000, 0.0000361500000000 ] - [ -0.0011651200000000, 0.0002325900000000, -0.0000610200000000 ] - [ -0.0003256900000000, 0.0000886900000000, 0.0000458000000000 ] - [ 0.0011440100000000, -0.0022436300000000, 0.0055961000000000 ] - [ -0.0007689500000000, -0.0000290400000000, 0.0002666800000000 ] - [ 0.0007025000000000, -0.0005522500000000, 0.0001227100000000 ] - [ -0.0003373700000000, 0.0001676000000000, -0.0001863500000000 ] - [ 0.0004545600000000, -0.0020285900000000, 0.0004712000000000 ] - [ 0.0004917200000000, -0.0008990500000000, 0.0003855800000000 ] - [ 0.0002798900000000, 0.0007535300000000, -0.0000659000000000 ] - [ -0.0008364200000000, 0.0006483000000000, -0.0011457900000000 ] - [ -0.0000463000000000, 0.0008380700000000, -0.0002698300000000 ] - [ 0.0010638400000000, 0.0034932300000000, 0.0004560800000000 ] - [ -0.0005257300000000, -0.0007366000000000, 0.0001343900000000 ] - [ -0.0007079700000000, -0.0001495100000000, 0.0000472000000000 ] - [ 0.0011960400000000, -0.0019891600000000, -0.0006793300000000 ] - [ -0.0002325400000000, 0.0003937500000000, -0.0000372000000000 ] - [ -0.0002224300000000, 0.0011960200000000, -0.0001179800000000 ] - [ 0.0013053500000000, 0.0009328000000000, 0.0001839200000000 ] - [ -0.0012413800000000, -0.0011154500000000, 0.0008745700000000 ] - [ -0.0000375000000000, -0.0000680600000000, 0.0007205200000000 ] - [ -0.0005491800000000, -0.0005698000000000, -0.0001176500000000 ] - [ 0.0003531000000000, -0.0001698500000000, 0.0001278400000000 ] - [ 0.0002288600000000, -0.0005787000000000, 0.0000918200000000 ] - [ 0.0000815500000000, 0.0003006400000000, 0.0001393200000000 ] - [ -0.0028594400000000, -0.0125291000000000, -0.0010683400000000 ] - [ 0.0005283000000000, 0.0003031300000000, -0.0002063400000000 ] - [ -0.0064814900000000, -0.0048238200000000, -0.0022282200000000 ] - [ 0.0001822700000000, 0.0003389900000000, -0.0006339200000000 ] - [ 0.0002954700000000, -0.0013307300000000, 0.0001209400000000 ] - [ 0.0002062500000000, -0.0004399800000000, 0.0001219700000000 ] - [ -0.0260193400000000, 0.0793812100000000, 0.0039113900000000 ] - [ 0.0000255100000000, 0.0010455600000000, 0.0002275600000000 ] - [ 0.0005472200000000, -0.0008182400000000, -0.0002886300000000 ] - [ 0.0008854900000000, -0.0007957000000000, -0.0002282900000000 ] - [ 0.0002255100000000, -0.0016678500000000, -0.0001337500000000 ] - [ 0.0002293100000000, -0.0004330700000000, -0.0001049800000000 ] - [ 0.0001387700000000, -0.0008807000000000, 0.0002288200000000 ] - [ -0.0008845500000000, -0.0010885600000000, 0.0000606500000000 ] - [ -0.0001363400000000, -0.0023358900000000, -0.0007102300000000 ] - [ 0.0004471200000000, -0.0004725500000000, -0.0001993600000000 ] - [ 0.0000042100000000, -0.0011398400000000, -0.0003943100000000 ] - [ 0.0000602800000000, -0.0013466400000000, -0.0004159200000000 ] - [ 0.0010616100000000, -0.0044024400000000, 0.0012497300000000 ] - [ -0.0001391000000000, 0.0008084700000000, 0.0002552500000000 ] - [ 0.0004288000000000, 0.0017890200000000, -0.0000341700000000 ] - [ -0.0002193000000000, 0.0010810100000000, -0.0005464000000000 ] - [ 0.0001104100000000, -0.0006560000000000, 0.0002734400000000 ] - [ 0.0001550700000000, -0.0002160900000000, 0.0002835700000000 ] - [ -0.0000525300000000, -0.0000154500000000, -0.0002064300000000 ] - [ -0.0000435600000000, -0.0002026700000000, -0.0001653400000000 ] - [ -0.0009000400000000, 0.0000118900000000, -0.0000909400000000 ] - [ 0.0015609500000000, -0.0002771500000000, 0.0003647800000000 ] - [ 0.0001322100000000, -0.0004294600000000, -0.0000441700000000 ] - [ 0.0005576300000000, -0.0008341000000000, 0.0001147800000000 ] - [ 0.0035072400000000, 0.0031074300000000, 0.0003649000000000 ] - [ -0.0006097100000000, 0.0007738200000000, 0.0005160700000000 ] - [ 0.0003374600000000, -0.0006548000000000, 0.0007081900000000 ] - [ -0.0001535100000000, -0.0003928300000000, 0.0006554800000000 ] - [ -0.0004794900000000, 0.0015155700000000, -0.0004202100000000 ] - [ 0.0002624300000000, 0.0009730400000000, -0.0001687800000000 ] - [ 0.0002027700000000, 0.0002997100000000, -0.0002180400000000 ] - [ -0.0006012400000000, -0.0001212500000000, -0.0002378300000000 ] - [ -0.0015823300000000, 0.0005466200000000, -0.0001794300000000 ] - [ 0.0004661400000000, 0.0004601900000000, 0.0005494700000000 ]- atom: 111 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0001741800000000, 0.0002639400000000, -0.0002483500000000 ] - [ -0.0002383800000000, 0.0002571400000000, -0.0001840600000000 ] - [ 0.0000694900000000, 0.0003675600000000, -0.0001495000000000 ] - [ 0.0001276600000000, 0.0003568200000000, -0.0001228600000000 ] - [ 0.0000161200000000, 0.0007224400000000, -0.0000730000000000 ] - [ 0.0000393900000000, 0.0006608400000000, -0.0001411700000000 ] - [ -0.0007230500000000, -0.0014931100000000, 0.0002013100000000 ] - [ -0.0001850600000000, 0.0002840200000000, 0.0003568200000000 ] - [ -0.0003062000000000, 0.0002184400000000, 0.0004138400000000 ] - [ -0.0007211100000000, -0.0000714900000000, 0.0010311100000000 ] - [ 0.0007441200000000, 0.0010273100000000, -0.0003662700000000 ] - [ 0.0005512300000000, -0.0000091300000000, -0.0003556300000000 ] - [ -0.0047414200000000, -0.0036641200000000, 0.0104549400000000 ] - [ 0.0000430700000000, 0.0007606100000000, 0.0001660700000000 ] - [ 0.0001246800000000, 0.0002756000000000, -0.0003728500000000 ] - [ 0.0004237600000000, 0.0001248400000000, -0.0009888600000000 ] - [ -0.0005390700000000, 0.0004250200000000, 0.0001387100000000 ] - [ 0.0008285100000000, 0.0006839500000000, -0.0032218900000000 ] - [ 0.0005303800000000, 0.0003020900000000, -0.0002842700000000 ] - [ -0.0016650900000000, 0.0004660500000000, 0.0041020700000000 ] - [ -0.0040678700000000, 0.0076110900000000, 0.0108756800000000 ] - [ 0.0003278200000000, 0.0003790000000000, 0.0002623000000000 ] - [ 0.0001849600000000, 0.0002383000000000, 0.0002681800000000 ] - [ 0.0002171400000000, 0.0004945300000000, 0.0002598900000000 ] - [ -0.0001633200000000, -0.0000217700000000, 0.0001335600000000 ] - [ -0.0000806100000000, 0.0001897900000000, -0.0000554600000000 ] - [ 0.0004748500000000, -0.0004220300000000, 0.0002162200000000 ] - [ 0.0005082100000000, -0.0003771000000000, 0.0001749800000000 ] - [ -0.0002694500000000, -0.0007253300000000, -0.0000666800000000 ] - [ -0.0005329000000000, -0.0008495500000000, 0.0001093800000000 ] - [ 0.0005527200000000, -0.0006242300000000, -0.0015681000000000 ] - [ 0.0003722200000000, -0.0006593900000000, -0.0001225000000000 ] - [ -0.0037995500000000, 0.0020633600000000, 0.0094619200000000 ] - [ 0.0009522400000000, -0.0005615400000000, 0.0003889300000000 ] - [ -0.0008763500000000, -0.0000928300000000, 0.0004722300000000 ] - [ -0.0008538200000000, -0.0000966000000000, 0.0005288900000000 ] - [ -0.0008281700000000, 0.0000936400000000, 0.0011260000000000 ] - [ 0.0013945600000000, -0.0010028700000000, 0.0003516200000000 ] - [ 0.0003090400000000, -0.0004188000000000, -0.0001162400000000 ] - [ 0.0002931700000000, -0.0003706600000000, -0.0000709800000000 ] - [ 0.0024046300000000, 0.0004189400000000, -0.0056785700000000 ] - [ 0.0007194000000000, -0.0001427100000000, -0.0006051000000000 ] - [ -0.0002212600000000, 0.0001061000000000, 0.0013799900000000 ] - [ 0.0002958200000000, -0.0000079800000000, 0.0001489000000000 ] - [ -0.0000489700000000, -0.0003108300000000, -0.0008373200000000 ] - [ -0.0019341700000000, 0.0004876100000000, -0.0004991000000000 ] - [ -0.0007414200000000, -0.0007012600000000, -0.0003232100000000 ] - [ -0.0006572200000000, -0.0007930800000000, -0.0003507200000000 ] - [ -0.0005524100000000, 0.0000758200000000, -0.0001062900000000 ] - [ -0.0005722400000000, 0.0000466500000000, -0.0000851500000000 ] - [ -0.0001021700000000, 0.0002481600000000, -0.0006178100000000 ] - [ -0.0002264300000000, -0.0000589600000000, 0.0001030800000000 ] - [ 0.0001071200000000, 0.0001990700000000, 0.0000117200000000 ] - [ 0.0002524700000000, 0.0003463300000000, 0.0000488400000000 ] - [ -0.0010702400000000, -0.0007299900000000, 0.0051142500000000 ] - [ 0.0000305200000000, -0.0006184000000000, 0.0003799200000000 ] - [ -0.0002340400000000, -0.0002366900000000, 0.0000234600000000 ] - [ 0.0000560900000000, -0.0007797900000000, 0.0000381700000000 ] - [ 0.0003941600000000, -0.0002586900000000, -0.0006162700000000 ] - [ 0.0003020900000000, -0.0001288600000000, -0.0005596700000000 ] - [ -0.0052950800000000, 0.0079366900000000, 0.0076681800000000 ] - [ -0.0000679000000000, -0.0003652400000000, -0.0000770700000000 ] - [ -0.0000972600000000, 0.0001869200000000, 0.0001693900000000 ] - [ -0.0001057600000000, 0.0001603800000000, 0.0001638100000000 ] - [ -0.0004137800000000, -0.0005246100000000, -0.0005719600000000 ] - [ -0.0006338100000000, -0.0009108400000000, -0.0003987500000000 ] - [ 0.0003611100000000, -0.0000617000000000, -0.0001610300000000 ] - [ -0.0081881600000000, 0.0002892200000000, 0.0017760700000000 ] - [ 0.0002848300000000, 0.0000062900000000, -0.0002658000000000 ] - [ 0.0000811900000000, 0.0000951800000000, -0.0001463500000000 ] - [ -0.0003896300000000, 0.0001608400000000, 0.0002094400000000 ] - [ -0.0004344000000000, 0.0003083800000000, 0.0002083200000000 ] - [ 0.0001452600000000, 0.0002379300000000, 0.0001644900000000 ] - [ 0.0001236200000000, 0.0002251300000000, 0.0001326500000000 ] - [ -0.0002545800000000, 0.0001811200000000, -0.0004239600000000 ] - [ -0.0002141200000000, 0.0001758300000000, -0.0004490800000000 ] - [ 0.0003729100000000, -0.0000807200000000, -0.0002550000000000 ] - [ 0.0003283300000000, -0.0000794700000000, -0.0002388100000000 ] - [ 0.0000806500000000, -0.0003383900000000, 0.0000043500000000 ] - [ 0.0000441600000000, -0.0003107000000000, 0.0000259900000000 ] - [ -0.0006130800000000, -0.0001617800000000, 0.0012460300000000 ] - [ -0.0003600900000000, -0.0000890800000000, 0.0000111700000000 ] - [ 0.0013771500000000, -0.0045008500000000, 0.0033228700000000 ] - [ -0.0007490700000000, -0.0003149200000000, 0.0003650700000000 ] - [ -0.0005681600000000, 0.0003863500000000, 0.0007536500000000 ] - [ 0.0000240000000000, 0.0001128500000000, -0.0000464200000000 ] - [ 0.0004825000000000, -0.0006320300000000, 0.0001684200000000 ] - [ 0.0003977500000000, -0.0006214600000000, 0.0003504900000000 ] - [ -0.0001404300000000, 0.0005664000000000, -0.0000390700000000 ] - [ 0.0002153500000000, 0.0007782600000000, 0.0000319900000000 ] - [ -0.0001831000000000, 0.0001204100000000, -0.0001334900000000 ] - [ 0.0050395500000000, -0.0001473000000000, 0.0053371200000000 ] - [ -0.0006547900000000, 0.0001573800000000, 0.0000639000000000 ] - [ -0.0006696100000000, 0.0001879900000000, 0.0000616600000000 ] - [ -0.0004959100000000, -0.0006333700000000, 0.0046420300000000 ] - [ -0.0001095700000000, 0.0001781700000000, 0.0000075800000000 ] - [ 0.0000880900000000, -0.0000964700000000, -0.0001253500000000 ] - [ 0.0008499900000000, 0.0001244700000000, -0.0008318300000000 ] - [ -0.0007331500000000, -0.0010523000000000, 0.0004801800000000 ] - [ -0.0003314600000000, -0.0001282100000000, 0.0005846900000000 ] - [ 0.0000708600000000, 0.0000932400000000, 0.0002458500000000 ] - [ 0.0000370900000000, 0.0000358300000000, 0.0000639600000000 ] - [ 0.0000673500000000, 0.0005684000000000, 0.0003359900000000 ] - [ 0.0001000300000000, 0.0005496600000000, 0.0001564900000000 ] - [ 0.0009204300000000, -0.0004384900000000, -0.0028424700000000 ] - [ 0.0003034900000000, 0.0002065500000000, -0.0002622300000000 ] - [ 0.0009696300000000, 0.0002474200000000, -0.0031485900000000 ] - [ -0.0003227500000000, 0.0000726300000000, -0.0007266600000000 ] - [ 0.0001250800000000, -0.0001351800000000, 0.0003353700000000 ] - [ 0.0001980400000000, -0.0002049000000000, 0.0001256200000000 ] - [ 0.0227464000000000, -0.0091425400000000, -0.0476908800000000 ] - [ -0.0001011700000000, 0.0005360500000000, 0.0001969500000000 ] - [ 0.0006913200000000, -0.0003344200000000, -0.0002837300000000 ] - [ 0.0006931600000000, -0.0002713500000000, -0.0003164000000000 ] - [ 0.0002555600000000, -0.0001379600000000, -0.0002961800000000 ] - [ 0.0001819800000000, -0.0001912800000000, -0.0001170800000000 ] - [ -0.0004093900000000, -0.0004403000000000, 0.0002094900000000 ] - [ -0.0003224900000000, -0.0005145200000000, 0.0001162500000000 ] - [ 0.0011112500000000, 0.0011233400000000, -0.0001970800000000 ] - [ 0.0003161500000000, -0.0005255600000000, -0.0001976700000000 ] - [ 0.0000117700000000, -0.0006001900000000, -0.0003657800000000 ] - [ 0.0000199200000000, -0.0005818900000000, -0.0003725900000000 ] - [ 0.0009573600000000, -0.0002552100000000, -0.0020464200000000 ] - [ -0.0000671200000000, 0.0006062400000000, 0.0002597700000000 ] - [ -0.0006364300000000, 0.0001669400000000, 0.0007449000000000 ] - [ 0.0004179200000000, 0.0004288800000000, -0.0000957800000000 ] - [ 0.0000756100000000, 0.0001964600000000, 0.0002855200000000 ] - [ 0.0000775600000000, 0.0001647300000000, 0.0002607500000000 ] - [ -0.0000148300000000, 0.0005606300000000, -0.0002197800000000 ] - [ -0.0000241500000000, 0.0005975400000000, -0.0002128900000000 ] - [ -0.0001657600000000, -0.0002389200000000, -0.0000140800000000 ] - [ -0.0013914800000000, 0.0007654000000000, -0.0001637100000000 ] - [ 0.0003757000000000, -0.0000865700000000, 0.0000167000000000 ] - [ 0.0004110000000000, -0.0000806400000000, 0.0000031000000000 ] - [ -0.0026214400000000, 0.0003979400000000, -0.0024099700000000 ] - [ -0.0008674800000000, -0.0004105400000000, -0.0001141300000000 ] - [ 0.0001015800000000, 0.0000701000000000, 0.0006432700000000 ] - [ 0.0000937100000000, 0.0000332300000000, 0.0006713600000000 ] - [ 0.0007015800000000, 0.0002182900000000, 0.0000075500000000 ] - [ -0.0002658500000000, 0.0001209300000000, 0.0010056600000000 ] - [ -0.0000193800000000, 0.0006301800000000, -0.0003021000000000 ] - [ -0.0000638200000000, 0.0005540400000000, -0.0002768600000000 ] - [ -0.0001619200000000, 0.0000491500000000, 0.0027597200000000 ] - [ 0.0003089300000000, 0.0001026000000000, 0.0004881500000000 ]- atom: 111 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0002335600000000, 0.0003789800000000, -0.0002636300000000 ] - [ -0.0001675800000000, 0.0003894000000000, -0.0003276400000000 ] - [ 0.0001406900000000, 0.0003903100000000, -0.0001124500000000 ] - [ 0.0000831800000000, 0.0003944100000000, -0.0001405000000000 ] - [ 0.0000460700000000, 0.0007374900000000, -0.0000701800000000 ] - [ 0.0000234800000000, 0.0008007900000000, -0.0000016000000000 ] - [ 0.0003059500000000, 0.0020861700000000, 0.0005111600000000 ] - [ -0.0002231400000000, 0.0003051900000000, 0.0003377300000000 ] - [ -0.0007360000000000, -0.0002144800000000, 0.0002936200000000 ] - [ -0.0003306400000000, 0.0000765800000000, -0.0003314900000000 ] - [ 0.0003042900000000, -0.0010090200000000, -0.0003524800000000 ] - [ 0.0004969900000000, 0.0000160600000000, -0.0003462100000000 ] - [ 0.0043764600000000, 0.0045544200000000, -0.0096117700000000 ] - [ -0.0001056400000000, 0.0006889100000000, -0.0000225400000000 ] - [ 0.0002889300000000, 0.0003110200000000, -0.0003221900000000 ] - [ -0.0000289200000000, 0.0004758900000000, 0.0002932700000000 ] - [ 0.0003269100000000, 0.0003194400000000, 0.0001182700000000 ] - [ -0.0010504100000000, 0.0000439600000000, 0.0034818800000000 ] - [ -0.0009166700000000, 0.0007206200000000, -0.0002232900000000 ] - [ 0.0013622300000000, 0.0005750500000000, -0.0045931300000000 ] - [ 0.0046767200000000, -0.0075893300000000, -0.0108668900000000 ] - [ 0.0000768100000000, 0.0002535200000000, 0.0002499800000000 ] - [ 0.0001925900000000, 0.0007960100000000, 0.0002470300000000 ] - [ 0.0001593900000000, 0.0005317000000000, 0.0002569000000000 ] - [ -0.0001451200000000, 0.0001035800000000, -0.0003224300000000 ] - [ -0.0002178300000000, -0.0001107400000000, -0.0001326500000000 ] - [ 0.0005042600000000, -0.0002785200000000, 0.0001240300000000 ] - [ 0.0004723600000000, -0.0003279900000000, 0.0001651800000000 ] - [ -0.0005027500000000, -0.0006664400000000, 0.0003246200000000 ] - [ -0.0002362700000000, -0.0005395700000000, 0.0001518700000000 ] - [ 0.0002356700000000, -0.0007446700000000, 0.0013121600000000 ] - [ 0.0003996600000000, -0.0007342100000000, -0.0001383800000000 ] - [ 0.0052642000000000, -0.0035199300000000, -0.0087731300000000 ] - [ 0.0004545900000000, -0.0008123700000000, 0.0003280900000000 ] - [ -0.0008446000000000, -0.0000587000000000, 0.0005811800000000 ] - [ -0.0008718000000000, -0.0000556500000000, 0.0005235400000000 ] - [ -0.0001665800000000, -0.0008258900000000, -0.0014665700000000 ] - [ -0.0023753400000000, 0.0002822500000000, -0.0006953200000000 ] - [ 0.0002820600000000, -0.0002574200000000, -0.0000239900000000 ] - [ 0.0002986100000000, -0.0003083200000000, -0.0000691900000000 ] - [ -0.0006655500000000, -0.0006073000000000, 0.0046189300000000 ] - [ 0.0010075600000000, -0.0000245000000000, -0.0004521100000000 ] - [ 0.0005282300000000, -0.0000331300000000, -0.0011849200000000 ] - [ 0.0000022000000000, 0.0000853300000000, 0.0000436300000000 ] - [ -0.0005285600000000, -0.0003869700000000, 0.0009914100000000 ] - [ 0.0013306900000000, -0.0011823200000000, 0.0006548300000000 ] - [ -0.0006634300000000, -0.0006655600000000, -0.0004023500000000 ] - [ -0.0007510700000000, -0.0005722200000000, -0.0003765600000000 ] - [ -0.0005665300000000, -0.0000142600000000, -0.0000557300000000 ] - [ -0.0005470400000000, 0.0000176000000000, -0.0000771900000000 ] - [ -0.0002249200000000, -0.0002945200000000, 0.0008740000000000 ] - [ -0.0001110200000000, 0.0000255900000000, 0.0001542700000000 ] - [ 0.0001253800000000, 0.0001737900000000, -0.0000328200000000 ] - [ -0.0000207900000000, 0.0000249700000000, -0.0000711600000000 ] - [ 0.0010461400000000, -0.0004719800000000, -0.0043689000000000 ] - [ -0.0000604300000000, -0.0006012200000000, 0.0003713100000000 ] - [ -0.0001605600000000, -0.0001976100000000, -0.0002705200000000 ] - [ -0.0004401600000000, 0.0003458000000000, -0.0002874700000000 ] - [ 0.0002332900000000, 0.0000007300000000, -0.0006592700000000 ] - [ 0.0003232900000000, -0.0001285500000000, -0.0007182000000000 ] - [ 0.0050891200000000, -0.0084889800000000, -0.0075910600000000 ] - [ -0.0000614600000000, -0.0003307700000000, 0.0000789900000000 ] - [ -0.0001101300000000, 0.0001066100000000, 0.0001679600000000 ] - [ -0.0001016400000000, 0.0001347500000000, 0.0001740700000000 ] - [ -0.0004373800000000, -0.0007474600000000, -0.0001471300000000 ] - [ -0.0002263300000000, -0.0003590200000000, -0.0003139000000000 ] - [ 0.0007641600000000, 0.0001322300000000, 0.0003268600000000 ] - [ 0.0094071200000000, -0.0002210800000000, -0.0015964800000000 ] - [ 0.0000487900000000, -0.0000387600000000, 0.0000086300000000 ] - [ 0.0002576600000000, -0.0001293200000000, -0.0001085200000000 ] - [ -0.0003951200000000, 0.0001874400000000, 0.0002608700000000 ] - [ -0.0003480900000000, 0.0000371800000000, 0.0002641800000000 ] - [ 0.0001193800000000, 0.0001805100000000, 0.0001035500000000 ] - [ 0.0001420200000000, 0.0001948200000000, 0.0001354400000000 ] - [ -0.0002221100000000, 0.0001090000000000, -0.0004791200000000 ] - [ -0.0002635500000000, 0.0001140400000000, -0.0004547200000000 ] - [ 0.0003231100000000, -0.0001334400000000, -0.0002181100000000 ] - [ 0.0003686200000000, -0.0001337500000000, -0.0002342700000000 ] - [ 0.0000480000000000, -0.0003608600000000, -0.0000055400000000 ] - [ 0.0000862100000000, -0.0003904700000000, -0.0000271500000000 ] - [ -0.0001585700000000, 0.0000282900000000, -0.0012197700000000 ] - [ -0.0004109000000000, -0.0000524900000000, 0.0000118800000000 ] - [ -0.0028014100000000, 0.0039342600000000, -0.0027459800000000 ] - [ -0.0006519900000000, -0.0002796300000000, 0.0001987700000000 ] - [ 0.0004987700000000, -0.0002301300000000, -0.0008586400000000 ] - [ -0.0000930900000000, 0.0000399500000000, -0.0000613000000000 ] - [ 0.0003735400000000, -0.0006415600000000, 0.0005543900000000 ] - [ 0.0004583500000000, -0.0006492800000000, 0.0003714200000000 ] - [ -0.0000718100000000, 0.0005229300000000, -0.0002756800000000 ] - [ -0.0004275300000000, 0.0003109000000000, -0.0003552800000000 ] - [ 0.0000207900000000, 0.0001918200000000, -0.0003887700000000 ] - [ -0.0051271100000000, 0.0004581600000000, -0.0058150800000000 ] - [ -0.0006742600000000, 0.0001885200000000, 0.0000507800000000 ] - [ -0.0006599200000000, 0.0001601000000000, 0.0000522100000000 ] - [ 0.0002811200000000, 0.0009788000000000, -0.0046101400000000 ] - [ -0.0001230800000000, 0.0001980600000000, 0.0000140800000000 ] - [ 0.0012384800000000, 0.0004527500000000, 0.0000023600000000 ] - [ 0.0004787300000000, 0.0002311600000000, 0.0007187400000000 ] - [ 0.0000995000000000, 0.0007838600000000, 0.0007869800000000 ] - [ -0.0002932400000000, -0.0001270000000000, 0.0006944400000000 ] - [ -0.0000078100000000, 0.0000542300000000, -0.0001390200000000 ] - [ 0.0000334000000000, 0.0001149300000000, 0.0000438100000000 ] - [ 0.0001457200000000, 0.0005113700000000, -0.0000214100000000 ] - [ 0.0001121400000000, 0.0005390500000000, 0.0001585900000000 ] - [ -0.0001510100000000, 0.0007058700000000, 0.0023711100000000 ] - [ 0.0004829000000000, 0.0001421300000000, -0.0002079700000000 ] - [ -0.0011536100000000, -0.0001348600000000, 0.0018044900000000 ] - [ 0.0001234000000000, -0.0000042000000000, -0.0006232100000000 ] - [ 0.0002665200000000, -0.0003039100000000, -0.0000875800000000 ] - [ 0.0001931500000000, -0.0002317900000000, 0.0001215700000000 ] - [ -0.0228855300000000, 0.0113862700000000, 0.0477196800000000 ] - [ 0.0001378500000000, 0.0005643100000000, 0.0002242500000000 ] - [ 0.0007094300000000, -0.0002635600000000, -0.0002797500000000 ] - [ 0.0007094100000000, -0.0003259700000000, -0.0002459700000000 ] - [ 0.0001394600000000, -0.0002698700000000, 0.0000672700000000 ] - [ 0.0002124300000000, -0.0002108200000000, -0.0001111300000000 ] - [ -0.0002949700000000, -0.0005997800000000, 0.0002277900000000 ] - [ -0.0003861900000000, -0.0005282400000000, 0.0003211900000000 ] - [ -0.0004198100000000, -0.0021822100000000, -0.0002335400000000 ] - [ 0.0003913900000000, -0.0005114100000000, -0.0002400000000000 ] - [ 0.0000196400000000, -0.0006245800000000, -0.0003844000000000 ] - [ 0.0000123300000000, -0.0006440100000000, -0.0003777200000000 ] - [ -0.0009129300000000, 0.0014940000000000, 0.0026002000000000 ] - [ 0.0001073300000000, 0.0006190700000000, 0.0002984800000000 ] - [ 0.0003677600000000, 0.0002617200000000, -0.0010159100000000 ] - [ -0.0006799100000000, -0.0000010700000000, -0.0001772900000000 ] - [ 0.0000858800000000, 0.0001084900000000, 0.0002375500000000 ] - [ 0.0000835500000000, 0.0001423000000000, 0.0002622700000000 ] - [ -0.0000211900000000, 0.0005349700000000, -0.0001999800000000 ] - [ -0.0000115000000000, 0.0004967300000000, -0.0002063400000000 ] - [ -0.0002277000000000, -0.0001583400000000, 0.0002427300000000 ] - [ 0.0010106700000000, -0.0011658900000000, 0.0004013100000000 ] - [ 0.0003954700000000, -0.0000565800000000, -0.0000382100000000 ] - [ 0.0003632100000000, -0.0000647500000000, -0.0000251800000000 ] - [ 0.0019878600000000, -0.0006087300000000, 0.0028670900000000 ] - [ 0.0001686100000000, 0.0002052600000000, 0.0005919500000000 ] - [ 0.0001014200000000, -0.0000071100000000, 0.0007091800000000 ] - [ 0.0001073000000000, 0.0000308300000000, 0.0006811300000000 ] - [ -0.0004982100000000, 0.0000841400000000, -0.0003365000000000 ] - [ 0.0004766200000000, 0.0001796400000000, -0.0013412400000000 ] - [ -0.0000207400000000, 0.0005913900000000, -0.0002555300000000 ] - [ 0.0000211600000000, 0.0006662100000000, -0.0002796400000000 ] - [ 0.0006152300000000, 0.0002404000000000, -0.0018541000000000 ] - [ 0.0001691600000000, 0.0001900500000000, 0.0004159600000000 ]- atom: 115 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0028697200000000, 0.0009541800000000, 0.0000827800000000 ] - [ 0.0042566600000000, -0.0008463200000000, -0.0002795100000000 ] - [ 0.0024668200000000, 0.0010246000000000, 0.0001224700000000 ] - [ -0.0008810800000000, 0.0002838300000000, -0.0003941000000000 ] - [ -0.0015163700000000, 0.0015739300000000, -0.0016307600000000 ] - [ 0.0000666500000000, -0.0008703700000000, 0.0004322100000000 ] - [ 0.0063895100000000, 0.0023900000000000, -0.0004343700000000 ] - [ -0.0016598000000000, 0.0002653500000000, -0.0000056500000000 ] - [ -0.0007057600000000, 0.0002371000000000, 0.0003241600000000 ] - [ -0.0003766300000000, -0.0003273500000000, 0.0003664200000000 ] - [ 0.0070488200000000, -0.0003047000000000, 0.0003728900000000 ] - [ -0.0010937100000000, 0.0000735100000000, -0.0007830800000000 ] - [ 0.0003775100000000, 0.0006034000000000, 0.0001730900000000 ] - [ -0.0003838800000000, 0.0007364100000000, -0.0000303100000000 ] - [ -0.0000672600000000, 0.0005412100000000, -0.0004444300000000 ] - [ 0.0004723200000000, -0.0000540100000000, -0.0002435100000000 ] - [ -0.0005793600000000, -0.0001008500000000, -0.0001851400000000 ] - [ 0.0004198600000000, 0.0009615600000000, 0.0004504200000000 ] - [ -0.0008686400000000, -0.0001271300000000, -0.0001978700000000 ] - [ 0.0000513700000000, 0.0018531100000000, -0.0003716400000000 ] - [ 0.0005875700000000, 0.0003279300000000, 0.0003719000000000 ] - [ -0.0001489100000000, 0.0002751000000000, 0.0001673400000000 ] - [ 0.0019092100000000, 0.0005693600000000, 0.0010015100000000 ] - [ -0.0008122800000000, 0.0004428100000000, -0.0000065400000000 ] - [ -0.0033364000000000, -0.0021849200000000, -0.0015673600000000 ] - [ -0.0024234500000000, 0.0018406800000000, 0.0003896400000000 ] - [ 0.0197494000000000, -0.0105748300000000, 0.0034095600000000 ] - [ -0.0012962500000000, -0.0007417800000000, -0.0001014100000000 ] - [ -0.0009553400000000, -0.0013728600000000, 0.0001754500000000 ] - [ -0.0014525400000000, 0.0009556200000000, -0.0013289700000000 ] - [ 0.0007010000000000, -0.0006139600000000, -0.0000282300000000 ] - [ 0.0000768300000000, -0.0007877100000000, -0.0002276300000000 ] - [ 0.0025186200000000, -0.0022596600000000, 0.0003516000000000 ] - [ 0.0000577800000000, -0.0003474300000000, 0.0002168400000000 ] - [ -0.0011544500000000, 0.0005625000000000, 0.0005206400000000 ] - [ -0.0011786600000000, -0.0011125000000000, 0.0002750500000000 ] - [ -0.0005124500000000, -0.0006121300000000, -0.0002133100000000 ] - [ -0.0005377900000000, -0.0001867900000000, -0.0001611400000000 ] - [ 0.0014999800000000, 0.0000387600000000, 0.0013607900000000 ] - [ -0.0012861800000000, -0.0007328200000000, -0.0006861200000000 ] - [ 0.0013079700000000, -0.0005264700000000, -0.0002072700000000 ] - [ 0.0002769600000000, 0.0002662200000000, -0.0007147500000000 ] - [ 0.0004803700000000, 0.0001374300000000, 0.0001651500000000 ] - [ -0.0001616100000000, -0.0000622700000000, 0.0000295600000000 ] - [ -0.0003086800000000, -0.0005067400000000, 0.0000857000000000 ] - [ -0.0003222300000000, -0.0002061100000000, 0.0000506800000000 ] - [ -0.0011083300000000, 0.0003274400000000, -0.0005019600000000 ] - [ -0.0011545100000000, -0.0018475200000000, -0.0003074200000000 ] - [ -0.0042721500000000, 0.0034491000000000, -0.0005172200000000 ] - [ 0.0002154600000000, -0.0001034700000000, 0.0000896100000000 ] - [ 0.0017261500000000, 0.0061909100000000, 0.0008835400000000 ] - [ 0.0006746100000000, -0.0004592800000000, 0.0002607100000000 ] - [ 0.0008549500000000, 0.0003904300000000, 0.0001752900000000 ] - [ 0.0002741300000000, -0.0007769400000000, 0.0048423300000000 ] - [ -0.0002940700000000, -0.0005169700000000, 0.0002493000000000 ] - [ 0.0002283500000000, -0.0006307500000000, 0.0004514900000000 ] - [ -0.0001500900000000, -0.0002388700000000, -0.0001166000000000 ] - [ -0.0002303800000000, -0.0001678600000000, -0.0001301300000000 ] - [ 0.0003933200000000, 0.0003824700000000, 0.0004126300000000 ] - [ 0.0011442700000000, -0.0006371200000000, -0.0005594300000000 ] - [ -0.0004111000000000, 0.0001636900000000, -0.0002107400000000 ] - [ 0.0002216600000000, -0.0004427500000000, 0.0000789000000000 ] - [ 0.0006075500000000, -0.0046373800000000, -0.0035372800000000 ] - [ 0.0006956600000000, 0.0004490100000000, 0.0003937800000000 ] - [ 0.0002112900000000, 0.0000339100000000, -0.0000546300000000 ] - [ -0.0004139900000000, -0.0016773600000000, -0.0007073400000000 ] - [ 0.0007447100000000, 0.0002102100000000, 0.0001517200000000 ] - [ 0.0004050500000000, -0.0001999300000000, -0.0000162200000000 ] - [ 0.0001086300000000, -0.0002564900000000, -0.0001345300000000 ] - [ 0.0002846400000000, 0.0002012000000000, -0.0001115500000000 ] - [ -0.0001098900000000, 0.0000086200000000, 0.0003147900000000 ] - [ -0.0006988400000000, 0.0004952100000000, 0.0001295000000000 ] - [ -0.0000199800000000, -0.0005133600000000, -0.0001533000000000 ] - [ 0.0006310700000000, 0.0004962400000000, 0.0003742800000000 ] - [ 0.0002281300000000, 0.0002098700000000, -0.0006555600000000 ] - [ 0.0008754800000000, 0.0001793900000000, 0.0008132000000000 ] - [ -0.0000120200000000, -0.0016874300000000, 0.0001205400000000 ] - [ 0.0009444700000000, 0.0002074600000000, -0.0002168500000000 ] - [ 0.0002356300000000, -0.0007221200000000, 0.0001429400000000 ] - [ 0.0000898200000000, 0.0002068600000000, -0.0000303000000000 ] - [ -0.0009715500000000, 0.0002863600000000, -0.0006820600000000 ] - [ 0.0001179100000000, -0.0001236500000000, 0.0001644500000000 ] - [ -0.0012129800000000, -0.0000916100000000, 0.0004598600000000 ] - [ -0.0004244600000000, -0.0004477700000000, 0.0003469600000000 ] - [ -0.0003723900000000, 0.0004944300000000, -0.0005331100000000 ] - [ 0.0006658100000000, -0.0004117100000000, 0.0002611100000000 ] - [ 0.0000836700000000, -0.0006267600000000, 0.0003086000000000 ] - [ 0.0006492200000000, -0.0006151500000000, 0.0004247200000000 ] - [ 0.0003181400000000, 0.0008542700000000, -0.0001043200000000 ] - [ -0.0008828200000000, -0.0002404000000000, 0.0000290300000000 ] - [ 0.0001101100000000, 0.0002895400000000, -0.0002216200000000 ] - [ -0.0003053900000000, -0.0000217100000000, -0.0002767900000000 ] - [ -0.0028806600000000, -0.0019431600000000, 0.0044765700000000 ] - [ 0.0000466100000000, 0.0002480100000000, 0.0002389400000000 ] - [ -0.0002949700000000, 0.0002310000000000, -0.0000557600000000 ] - [ 0.0000499700000000, 0.0001670600000000, 0.0000666100000000 ] - [ 0.0006701200000000, 0.0002607000000000, -0.0000770400000000 ] - [ 0.0006918500000000, 0.0001169600000000, -0.0000448400000000 ] - [ -0.0004438800000000, -0.0001836900000000, 0.0006005500000000 ] - [ -0.0001739700000000, -0.0000612000000000, 0.0006785200000000 ] - [ -0.0000401700000000, -0.0001415300000000, 0.0000205700000000 ] - [ 0.0001581100000000, 0.0002929700000000, 0.0001000800000000 ] - [ -0.0001667800000000, 0.0005264500000000, 0.0000443000000000 ] - [ 0.0003478500000000, 0.0005610100000000, 0.0002227200000000 ] - [ -0.0014651400000000, -0.0016290100000000, -0.0003836700000000 ] - [ 0.0009682700000000, 0.0001438300000000, -0.0001030900000000 ] - [ -0.0002452200000000, 0.0000738200000000, -0.0006943000000000 ] - [ 0.0000343300000000, 0.0000202000000000, -0.0006528400000000 ] - [ -0.0009491400000000, 0.0001727200000000, -0.0011807300000000 ] - [ 0.0009029800000000, -0.0003480400000000, 0.0003282900000000 ] - [ -0.0003311600000000, 0.0005221600000000, 0.0001783000000000 ] - [ 0.0002419700000000, 0.0005172100000000, 0.0002545200000000 ] - [ 0.0008498100000000, -0.0007374500000000, -0.0003243400000000 ] - [ 0.0008536400000000, 0.0002028000000000, -0.0002089600000000 ] - [ -0.0423991000000000, 0.0120738700000000, -0.0058477100000000 ] - [ 0.0011078000000000, -0.0002057200000000, 0.0001014200000000 ] - [ 0.0006059000000000, -0.0000593600000000, -0.0002070300000000 ] - [ 0.0015803900000000, -0.0022910300000000, 0.0009169600000000 ] - [ 0.0002048700000000, -0.0005501700000000, -0.0002525400000000 ] - [ 0.0004942800000000, -0.0004762900000000, -0.0001861900000000 ] - [ 0.0004323400000000, -0.0010132200000000, -0.0002840700000000 ] - [ -0.0006233800000000, 0.0009571800000000, 0.0005549500000000 ] - [ -0.0001726900000000, 0.0006404500000000, 0.0002438000000000 ] - [ 0.0001976500000000, 0.0006034000000000, 0.0003161800000000 ] - [ -0.0001197000000000, 0.0004228000000000, -0.0001748300000000 ] - [ -0.0000339700000000, 0.0000088100000000, -0.0000610200000000 ] - [ -0.0013863600000000, 0.0002086800000000, -0.0004385600000000 ] - [ 0.0008680900000000, 0.0000512700000000, 0.0005196900000000 ] - [ 0.0006342300000000, -0.0001491800000000, -0.0000056700000000 ] - [ 0.0001945700000000, 0.0023113200000000, -0.0014042000000000 ] - [ -0.0001078700000000, -0.0002143600000000, 0.0001413800000000 ] - [ -0.0002788500000000, -0.0001607900000000, 0.0000903500000000 ] - [ 0.0006374300000000, -0.0001842100000000, 0.0000466900000000 ] - [ 0.0000220400000000, 0.0001599100000000, -0.0000724600000000 ] - [ -0.0003178900000000, 0.0003895600000000, 0.0002600500000000 ] - [ -0.0001915300000000, -0.0003250000000000, 0.0002493800000000 ] - [ 0.0072989600000000, -0.0014760200000000, 0.0030188100000000 ] - [ 0.0018461800000000, 0.0001051000000000, 0.0002688400000000 ] - [ 0.0000998600000000, 0.0002484600000000, -0.0001462600000000 ] - [ 0.0001306500000000, 0.0000637900000000, -0.0001693800000000 ] - [ 0.0014334800000000, 0.0009382100000000, 0.0002321500000000 ] - [ 0.0040160000000000, -0.0002876500000000, -0.0048494200000000 ] - [ 0.0001159600000000, 0.0001809100000000, 0.0004026000000000 ] - [ 0.0003654900000000, 0.0001293100000000, 0.0004986300000000 ]- atom: 115 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0024664700000000, -0.0003167000000000, -0.0006027300000000 ] - [ -0.0041504600000000, 0.0017196800000000, -0.0001247900000000 ] - [ -0.0022496000000000, -0.0002701800000000, -0.0003766200000000 ] - [ 0.0010879000000000, 0.0004592800000000, 0.0001290800000000 ] - [ 0.0015705100000000, -0.0001195400000000, 0.0014952500000000 ] - [ 0.0000055100000000, 0.0023226600000000, -0.0005639300000000 ] - [ -0.0067578300000000, -0.0017933500000000, 0.0011313900000000 ] - [ 0.0012465400000000, 0.0003280600000000, 0.0006979600000000 ] - [ -0.0003439000000000, -0.0002344600000000, 0.0003778100000000 ] - [ -0.0006676300000000, 0.0003273900000000, 0.0003370800000000 ] - [ -0.0059805700000000, 0.0003315400000000, -0.0010458500000000 ] - [ 0.0021396000000000, -0.0000628200000000, 0.0000808600000000 ] - [ -0.0004382800000000, 0.0008451900000000, -0.0000294500000000 ] - [ 0.0003216800000000, 0.0007175100000000, 0.0001736400000000 ] - [ 0.0004742800000000, 0.0000451900000000, -0.0002497700000000 ] - [ -0.0000588700000000, 0.0006379300000000, -0.0004488800000000 ] - [ 0.0003643500000000, 0.0008500700000000, 0.0004485200000000 ] - [ -0.0006187600000000, -0.0002164700000000, -0.0001820300000000 ] - [ 0.0004875800000000, 0.0011523500000000, -0.0003203800000000 ] - [ -0.0004138400000000, -0.0008273100000000, -0.0001421700000000 ] - [ -0.0001779200000000, 0.0003053400000000, 0.0001414800000000 ] - [ 0.0005561000000000, 0.0003615700000000, 0.0003455000000000 ] - [ -0.0015229000000000, 0.0004622900000000, -0.0004891100000000 ] - [ 0.0011863000000000, 0.0005760700000000, 0.0005230000000000 ] - [ 0.0030355400000000, 0.0022820500000000, 0.0013897300000000 ] - [ 0.0021127400000000, -0.0017449000000000, -0.0005674000000000 ] - [ -0.0192415900000000, 0.0107292900000000, -0.0032990000000000 ] - [ 0.0022636600000000, 0.0000282800000000, 0.0004465400000000 ] - [ 0.0001743200000000, -0.0000164600000000, 0.0000759000000000 ] - [ 0.0006902800000000, -0.0023346500000000, 0.0015762600000000 ] - [ 0.0000743200000000, -0.0007806700000000, -0.0002319700000000 ] - [ 0.0006982800000000, -0.0006080500000000, -0.0000328500000000 ] - [ -0.0011214800000000, 0.0008792800000000, 0.0003653500000000 ] - [ 0.0013477400000000, -0.0010190700000000, 0.0005019500000000 ] - [ -0.0005730300000000, -0.0007190700000000, 0.0005303000000000 ] - [ -0.0005433200000000, 0.0009461900000000, 0.0007755600000000 ] - [ -0.0004661600000000, -0.0001009700000000, -0.0001295800000000 ] - [ -0.0004355400000000, -0.0005252900000000, -0.0001799300000000 ] - [ -0.0009061000000000, -0.0007118400000000, -0.0015151600000000 ] - [ 0.0018713800000000, 0.0000470300000000, 0.0005414700000000 ] - [ 0.0004124700000000, 0.0003512100000000, -0.0008532400000000 ] - [ 0.0014502000000000, -0.0004269200000000, -0.0003437200000000 ] - [ -0.0001790000000000, -0.0000591400000000, 0.0000255800000000 ] - [ 0.0004625400000000, 0.0001381900000000, 0.0001610800000000 ] - [ -0.0002891000000000, -0.0001846600000000, 0.0000635100000000 ] - [ -0.0002704800000000, -0.0004843600000000, 0.0000999200000000 ] - [ -0.0003019300000000, -0.0017000400000000, -0.0002250600000000 ] - [ -0.0002488100000000, 0.0004689900000000, -0.0004196000000000 ] - [ 0.0031100600000000, -0.0034512500000000, 0.0003528800000000 ] - [ -0.0013320500000000, 0.0001705200000000, -0.0002518400000000 ] - [ -0.0020666200000000, -0.0062864500000000, -0.0006330100000000 ] - [ -0.0010069100000000, 0.0004217400000000, -0.0000037600000000 ] - [ -0.0006191700000000, -0.0000175400000000, -0.0001945900000000 ] - [ -0.0000665000000000, 0.0011440000000000, -0.0048314000000000 ] - [ 0.0002637200000000, -0.0007010900000000, 0.0005006000000000 ] - [ -0.0002567200000000, -0.0005920900000000, 0.0002991400000000 ] - [ -0.0002389700000000, -0.0001951500000000, -0.0001299000000000 ] - [ -0.0001607200000000, -0.0002656500000000, -0.0001167900000000 ] - [ 0.0002441200000000, -0.0006419400000000, -0.0016928500000000 ] - [ -0.0005159300000000, 0.0003761400000000, -0.0007209100000000 ] - [ 0.0002871500000000, -0.0008504600000000, 0.0002157800000000 ] - [ -0.0003491400000000, -0.0002564500000000, -0.0000764100000000 ] - [ -0.0008042500000000, 0.0049573000000000, 0.0038921100000000 ] - [ -0.0008959700000000, -0.0001502100000000, -0.0000537200000000 ] - [ -0.0010637200000000, -0.0013058000000000, -0.0006667300000000 ] - [ -0.0004455900000000, 0.0003997100000000, -0.0000176200000000 ] - [ 0.0003769500000000, -0.0001440700000000, 0.0000120600000000 ] - [ 0.0007129700000000, 0.0002670700000000, 0.0001787400000000 ] - [ 0.0002300700000000, 0.0002243300000000, -0.0001214000000000 ] - [ 0.0000520900000000, -0.0002316800000000, -0.0001451800000000 ] - [ -0.0006715600000000, 0.0003426800000000, 0.0001565700000000 ] - [ -0.0000883100000000, -0.0001433600000000, 0.0003406000000000 ] - [ 0.0002870700000000, 0.0009308200000000, 0.0004248000000000 ] - [ -0.0003639500000000, -0.0000718400000000, -0.0001043200000000 ] - [ -0.0006983700000000, 0.0000821600000000, -0.0002397400000000 ] - [ -0.0013482200000000, 0.0001070500000000, -0.0017011800000000 ] - [ 0.0007155900000000, 0.0014749200000000, -0.0005954200000000 ] - [ -0.0002451800000000, -0.0004156000000000, -0.0002577100000000 ] - [ -0.0001028800000000, 0.0000251600000000, -0.0001441200000000 ] - [ 0.0000389900000000, -0.0008999200000000, 0.0000282900000000 ] - [ 0.0001892200000000, -0.0004102100000000, 0.0006987800000000 ] - [ -0.0008861900000000, -0.0000203300000000, -0.0001413400000000 ] - [ -0.0001813400000000, -0.0004970900000000, 0.0001038500000000 ] - [ -0.0009759200000000, -0.0001496800000000, 0.0002165900000000 ] - [ 0.0003161800000000, -0.0003413900000000, 0.0004314800000000 ] - [ -0.0007315500000000, 0.0005601400000000, -0.0003658800000000 ] - [ 0.0007737900000000, -0.0006448700000000, 0.0004127900000000 ] - [ 0.0002083700000000, -0.0006524900000000, 0.0002972700000000 ] - [ -0.0005264900000000, 0.0002337800000000, -0.0002087700000000 ] - [ 0.0006607300000000, 0.0013266400000000, -0.0003442900000000 ] - [ -0.0002688900000000, 0.0000193800000000, -0.0003000100000000 ] - [ 0.0001423300000000, 0.0003318700000000, -0.0002458000000000 ] - [ 0.0015882800000000, 0.0022717500000000, -0.0043214600000000 ] - [ -0.0013723500000000, 0.0001017800000000, -0.0001246100000000 ] - [ 0.0000625200000000, 0.0001454700000000, 0.0000766300000000 ] - [ -0.0002803500000000, 0.0002084400000000, -0.0000451700000000 ] - [ 0.0006616300000000, 0.0000901200000000, -0.0000355200000000 ] - [ 0.0006377100000000, 0.0002336800000000, -0.0000684700000000 ] - [ -0.0001806200000000, -0.0000715900000000, 0.0006782300000000 ] - [ -0.0004508400000000, -0.0001935700000000, 0.0006003000000000 ] - [ 0.0001106200000000, 0.0002939100000000, 0.0000877500000000 ] - [ -0.0000894000000000, -0.0001389000000000, 0.0000079900000000 ] - [ 0.0003784100000000, 0.0005621300000000, 0.0002708300000000 ] - [ -0.0001336900000000, 0.0005303600000000, 0.0000928800000000 ] - [ 0.0022361800000000, 0.0019989600000000, -0.0000891700000000 ] - [ -0.0001796600000000, 0.0002030700000000, -0.0003665500000000 ] - [ 0.0000453800000000, -0.0000065600000000, -0.0006561500000000 ] - [ -0.0002353300000000, 0.0000468800000000, -0.0006978900000000 ] - [ 0.0013401900000000, -0.0006201500000000, 0.0014312900000000 ] - [ -0.0005078900000000, -0.0000896600000000, -0.0000801400000000 ] - [ 0.0003678300000000, 0.0005799600000000, 0.0002432600000000 ] - [ -0.0002040100000000, 0.0005798100000000, 0.0001672700000000 ] - [ 0.0005542200000000, 0.0001424900000000, -0.0002374900000000 ] - [ 0.0005481800000000, -0.0007927300000000, -0.0003537000000000 ] - [ 0.0426060500000000, -0.0135412700000000, 0.0056768900000000 ] - [ -0.0007097700000000, -0.0001969300000000, -0.0003288800000000 ] - [ -0.0013111700000000, -0.0009838000000000, 0.0006495900000000 ] - [ -0.0022688600000000, 0.0012302900000000, -0.0004707000000000 ] - [ 0.0005029700000000, -0.0004870700000000, -0.0001849700000000 ] - [ 0.0002140000000000, -0.0005602700000000, -0.0002514400000000 ] - [ -0.0003972900000000, -0.0002083800000000, -0.0004644300000000 ] - [ 0.0006435800000000, -0.0021677500000000, -0.0012955800000000 ] - [ 0.0002132000000000, 0.0005846900000000, 0.0003150100000000 ] - [ -0.0001547500000000, 0.0006210300000000, 0.0002431700000000 ] - [ -0.0001383300000000, 0.0000011000000000, -0.0000919900000000 ] - [ -0.0002295300000000, 0.0004121000000000, -0.0002077600000000 ] - [ 0.0015399300000000, 0.0000974100000000, 0.0009605100000000 ] - [ -0.0007037200000000, 0.0002579500000000, 0.0000043200000000 ] - [ -0.0006689700000000, 0.0012509300000000, -0.0004150800000000 ] - [ -0.0002329900000000, -0.0011981500000000, 0.0009686500000000 ] - [ -0.0002849800000000, -0.0001855200000000, 0.0000880300000000 ] - [ -0.0001167300000000, -0.0002384600000000, 0.0001380700000000 ] - [ 0.0001380300000000, 0.0000439700000000, -0.0000675300000000 ] - [ 0.0007484900000000, -0.0002996000000000, 0.0000503100000000 ] - [ -0.0003743800000000, -0.0005995800000000, 0.0002147100000000 ] - [ -0.0005055700000000, 0.0001130800000000, 0.0002241300000000 ] - [ -0.0071914100000000, 0.0015728800000000, -0.0017030100000000 ] - [ -0.0016310600000000, -0.0000425700000000, 0.0010752200000000 ] - [ 0.0001095000000000, 0.0000487200000000, -0.0001906800000000 ] - [ 0.0000754800000000, 0.0002341400000000, -0.0001682600000000 ] - [ -0.0014763100000000, 0.0002819600000000, -0.0007927100000000 ] - [ -0.0040071300000000, 0.0014962300000000, 0.0042190000000000 ] - [ 0.0003618900000000, 0.0001107300000000, 0.0005011900000000 ] - [ 0.0001113000000000, 0.0001619600000000, 0.0004050000000000 ]- atom: 115 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005709100000000, 0.0015444400000000, -0.0003400700000000 ] - [ -0.0022739800000000, 0.0079342400000000, -0.0008615200000000 ] - [ 0.0000931000000000, -0.0029156200000000, -0.0026697600000000 ] - [ 0.0001281000000000, 0.0002776000000000, -0.0001089400000000 ] - [ 0.0009637400000000, 0.0019382500000000, 0.0005416400000000 ] - [ -0.0005845700000000, 0.0029615800000000, -0.0001541700000000 ] - [ 0.0016169400000000, 0.0125923600000000, -0.0047378500000000 ] - [ -0.0002042400000000, 0.0010880500000000, 0.0003603200000000 ] - [ -0.0002917400000000, -0.0010664700000000, 0.0003713500000000 ] - [ -0.0007868200000000, -0.0014199500000000, 0.0002855000000000 ] - [ 0.0006196500000000, 0.0105227600000000, 0.0037424900000000 ] - [ 0.0005911700000000, 0.0008852700000000, -0.0003366200000000 ] - [ -0.0001499400000000, -0.0012578700000000, 0.0001604400000000 ] - [ -0.0000436000000000, 0.0000358900000000, 0.0000813700000000 ] - [ 0.0004824700000000, -0.0006292000000000, -0.0002242100000000 ] - [ -0.0000538100000000, -0.0010784100000000, -0.0004091700000000 ] - [ -0.0007781000000000, 0.0000196500000000, -0.0001778400000000 ] - [ 0.0011382800000000, -0.0010615700000000, 0.0005845800000000 ] - [ -0.0011408700000000, 0.0002059800000000, -0.0003393600000000 ] - [ 0.0019495600000000, -0.0011690900000000, 0.0002360000000000 ] - [ 0.0001765700000000, -0.0015422400000000, 0.0001474900000000 ] - [ 0.0001534900000000, -0.0004065500000000, 0.0002321900000000 ] - [ -0.0003773100000000, -0.0022727200000000, 0.0025346600000000 ] - [ 0.0002126600000000, 0.0003587400000000, 0.0002547900000000 ] - [ -0.0024540600000000, 0.0028862700000000, -0.0007946300000000 ] - [ 0.0009106800000000, 0.0015572200000000, -0.0000879000000000 ] - [ -0.0115386000000000, 0.0262578600000000, -0.0040430500000000 ] - [ 0.0001631700000000, 0.0002090500000000, 0.0001890100000000 ] - [ -0.0015016700000000, 0.0010943700000000, -0.0001957900000000 ] - [ 0.0007506300000000, 0.0010174800000000, 0.0006963900000000 ] - [ 0.0005450200000000, -0.0020903300000000, -0.0000631800000000 ] - [ 0.0002876100000000, -0.0013391500000000, -0.0001588800000000 ] - [ -0.0005504000000000, -0.0039227300000000, -0.0001375800000000 ] - [ 0.0009750800000000, -0.0006607900000000, 0.0004344100000000 ] - [ 0.0000257200000000, -0.0006591500000000, 0.0007123400000000 ] - [ -0.0016784100000000, -0.0007258500000000, 0.0000977000000000 ] - [ -0.0008012800000000, -0.0014250000000000, -0.0002653900000000 ] - [ -0.0002291900000000, -0.0012907900000000, -0.0000608200000000 ] - [ 0.0002838400000000, 0.0023739900000000, -0.0004899800000000 ] - [ 0.0000526700000000, 0.0002498000000000, -0.0002330500000000 ] - [ -0.0001472100000000, -0.0017487100000000, -0.0006852200000000 ] - [ 0.0011735400000000, -0.0000700300000000, -0.0004434500000000 ] - [ 0.0003466500000000, -0.0016256400000000, 0.0001477800000000 ] - [ 0.0000307000000000, -0.0005948600000000, 0.0000677700000000 ] - [ -0.0005431200000000, -0.0013304500000000, -0.0000066000000000 ] - [ -0.0000038400000000, -0.0013302300000000, 0.0001154400000000 ] - [ 0.0006321300000000, -0.0016249900000000, -0.0000749000000000 ] - [ -0.0016048300000000, -0.0013523300000000, -0.0003777400000000 ] - [ 0.0031569800000000, 0.0167727500000000, -0.0007677800000000 ] - [ -0.0005956200000000, -0.0001245900000000, -0.0000830600000000 ] - [ 0.0053331800000000, 0.0038120700000000, 0.0014740500000000 ] - [ -0.0004148700000000, -0.0003228300000000, 0.0000993100000000 ] - [ 0.0000969400000000, -0.0004832200000000, -0.0000401800000000 ] - [ -0.0009264700000000, -0.0032360200000000, -0.0005487100000000 ] - [ -0.0000705300000000, 0.0004250700000000, 0.0002770000000000 ] - [ 0.0000224700000000, -0.0003847100000000, 0.0003743500000000 ] - [ -0.0001419600000000, 0.0003029600000000, -0.0001272100000000 ] - [ -0.0001408400000000, 0.0004732300000000, -0.0001369300000000 ] - [ 0.0012034900000000, -0.0014220500000000, -0.0002320300000000 ] - [ 0.0000694300000000, -0.0007753700000000, -0.0007431500000000 ] - [ 0.0005209900000000, 0.0013798100000000, -0.0002095800000000 ] - [ -0.0001564300000000, -0.0003802900000000, -0.0000154500000000 ] - [ -0.0039730200000000, 0.0027841000000000, 0.0045320100000000 ] - [ 0.0000554400000000, -0.0000647600000000, 0.0002166700000000 ] - [ 0.0003219000000000, -0.0005861700000000, -0.0000769800000000 ] - [ -0.0012695600000000, -0.0008147700000000, -0.0003835000000000 ] - [ 0.0007950800000000, 0.0003874100000000, 0.0001654800000000 ] - [ 0.0003640700000000, 0.0007705800000000, 0.0000977300000000 ] - [ -0.0000547000000000, 0.0006080900000000, -0.0001989200000000 ] - [ 0.0004005100000000, 0.0003926200000000, -0.0000747000000000 ] - [ -0.0005754700000000, 0.0004677600000000, 0.0001938600000000 ] - [ 0.0001688100000000, 0.0009626600000000, 0.0002851100000000 ] - [ -0.0004768200000000, 0.0006678000000000, 0.0000318600000000 ] - [ 0.0004107400000000, 0.0001452000000000, 0.0002678000000000 ] - [ -0.0007589700000000, -0.0012663100000000, -0.0006160000000000 ] - [ -0.0001019700000000, -0.0007582600000000, 0.0000789600000000 ] - [ -0.0012251700000000, 0.0014326400000000, -0.0010873300000000 ] - [ 0.0006985000000000, -0.0001848200000000, -0.0002207700000000 ] - [ -0.0003549800000000, -0.0000239300000000, -0.0002508100000000 ] - [ 0.0003407800000000, -0.0000408100000000, 0.0000946300000000 ] - [ -0.0011343000000000, 0.0018831600000000, -0.0012013200000000 ] - [ -0.0002730300000000, -0.0002674700000000, 0.0000412000000000 ] - [ -0.0001313600000000, 0.0006969100000000, 0.0008935400000000 ] - [ -0.0008679600000000, -0.0003679700000000, 0.0002248200000000 ] - [ 0.0015665900000000, -0.0002068800000000, 0.0001437400000000 ] - [ -0.0003366300000000, -0.0001938800000000, -0.0001639400000000 ] - [ 0.0001121000000000, 0.0009128300000000, 0.0002595500000000 ] - [ 0.0004355000000000, -0.0004240500000000, 0.0003511600000000 ] - [ 0.0002947500000000, 0.0003687600000000, -0.0000568300000000 ] - [ -0.0015274800000000, 0.0006624400000000, -0.0008268500000000 ] - [ 0.0001281700000000, 0.0004704100000000, -0.0002121000000000 ] - [ -0.0002709300000000, 0.0008628400000000, -0.0003634200000000 ] - [ -0.0023895800000000, -0.0002474500000000, -0.0076872600000000 ] - [ -0.0005634500000000, -0.0001829400000000, 0.0000771500000000 ] - [ -0.0001918900000000, 0.0010067700000000, -0.0000661300000000 ] - [ -0.0001823400000000, 0.0005539400000000, -0.0000262400000000 ] - [ 0.0007973900000000, 0.0007296300000000, -0.0000483200000000 ] - [ 0.0005916100000000, 0.0007143700000000, -0.0000753600000000 ] - [ -0.0003523200000000, 0.0005452300000000, 0.0006717400000000 ] - [ -0.0002325100000000, 0.0002022200000000, 0.0006572600000000 ] - [ -0.0001157500000000, 0.0006105000000000, 0.0000131700000000 ] - [ 0.0002677900000000, 0.0004666500000000, 0.0001311200000000 ] - [ 0.0001115300000000, 0.0016661800000000, 0.0002442300000000 ] - [ 0.0000832400000000, 0.0007704700000000, 0.0001589600000000 ] - [ -0.0009739500000000, 0.0061702400000000, 0.0001079700000000 ] - [ 0.0005505400000000, -0.0000225800000000, -0.0001965000000000 ] - [ -0.0000990700000000, 0.0007463500000000, -0.0006592500000000 ] - [ -0.0001811500000000, 0.0004148700000000, -0.0007038000000000 ] - [ 0.0007847900000000, -0.0042362900000000, 0.0002288900000000 ] - [ 0.0002620900000000, -0.0006952900000000, 0.0001190800000000 ] - [ -0.0000185500000000, 0.0020145000000000, 0.0002687400000000 ] - [ 0.0000150300000000, 0.0007800200000000, 0.0002199200000000 ] - [ 0.0001844200000000, 0.0002138400000000, -0.0002890500000000 ] - [ 0.0010404100000000, 0.0000608800000000, -0.0001967600000000 ] - [ 0.0135952600000000, -0.0756961400000000, 0.0109706100000000 ] - [ 0.0001936400000000, -0.0006648400000000, -0.0000990000000000 ] - [ 0.0002469300000000, -0.0015391100000000, 0.0002735100000000 ] - [ -0.0014486800000000, -0.0020026900000000, 0.0000300700000000 ] - [ 0.0003707500000000, 0.0003714700000000, -0.0002679000000000 ] - [ 0.0004041500000000, -0.0001751400000000, -0.0002021900000000 ] - [ -0.0002998000000000, -0.0008081700000000, -0.0004780100000000 ] - [ 0.0008669900000000, -0.0005034000000000, 0.0007768300000000 ] - [ -0.0000445200000000, 0.0014407900000000, 0.0003014700000000 ] - [ -0.0000381100000000, 0.0009489600000000, 0.0002751600000000 ] - [ 0.0004072900000000, 0.0008075400000000, 0.0000121400000000 ] - [ -0.0004932400000000, 0.0004983000000000, -0.0003396300000000 ] - [ 0.0006197800000000, -0.0003824900000000, 0.0004855000000000 ] - [ -0.0000065400000000, 0.0000110000000000, 0.0002333900000000 ] - [ -0.0005491100000000, 0.0003352100000000, -0.0003099300000000 ] - [ 0.0012392300000000, 0.0006224300000000, -0.0008757100000000 ] - [ -0.0001838900000000, 0.0002970300000000, 0.0001313100000000 ] - [ -0.0002365300000000, 0.0004972200000000, 0.0001241900000000 ] - [ 0.0002293600000000, 0.0002052200000000, -0.0000589100000000 ] - [ 0.0009390200000000, 0.0007578500000000, 0.0001917200000000 ] - [ 0.0003049400000000, 0.0007708900000000, 0.0003778800000000 ] - [ -0.0007224800000000, 0.0001648100000000, 0.0002446100000000 ] - [ -0.0022501000000000, -0.0023669000000000, 0.0000553300000000 ] - [ 0.0005021700000000, -0.0008783800000000, 0.0003065300000000 ] - [ 0.0002323000000000, 0.0005826500000000, -0.0001097900000000 ] - [ -0.0001478200000000, 0.0006962600000000, -0.0002419900000000 ] - [ -0.0001690600000000, -0.0001227100000000, -0.0003308100000000 ] - [ -0.0012088100000000, -0.0021893500000000, -0.0002867700000000 ] - [ 0.0002476400000000, 0.0008003200000000, 0.0004424200000000 ] - [ 0.0001571200000000, 0.0005262100000000, 0.0004371700000000 ]- atom: 115 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009864000000000, -0.0009028700000000, -0.0001696900000000 ] - [ 0.0019900800000000, -0.0072241700000000, 0.0003740700000000 ] - [ 0.0001230400000000, 0.0036615300000000, 0.0023875200000000 ] - [ 0.0000828100000000, 0.0004744700000000, -0.0001546100000000 ] - [ -0.0009061900000000, -0.0004792100000000, -0.0006917600000000 ] - [ 0.0006508200000000, -0.0014936900000000, 0.0000119300000000 ] - [ -0.0021446400000000, -0.0123736500000000, 0.0058794600000000 ] - [ -0.0002051800000000, -0.0005024500000000, 0.0003325200000000 ] - [ -0.0007544400000000, 0.0010730500000000, 0.0003306900000000 ] - [ -0.0002633300000000, 0.0014250100000000, 0.0004156500000000 ] - [ 0.0004428200000000, -0.0106871600000000, -0.0047476900000000 ] - [ 0.0004577700000000, -0.0008843600000000, -0.0003652900000000 ] - [ 0.0000886500000000, 0.0027162800000000, -0.0000185100000000 ] - [ -0.0000190700000000, 0.0014181700000000, 0.0000614500000000 ] - [ -0.0000706700000000, 0.0012204800000000, -0.0004689800000000 ] - [ 0.0004624300000000, 0.0016692200000000, -0.0002848600000000 ] - [ 0.0005705300000000, 0.0007262800000000, 0.0004419700000000 ] - [ -0.0013547800000000, 0.0018103200000000, -0.0003236800000000 ] - [ 0.0007684600000000, 0.0008149200000000, -0.0001763400000000 ] - [ -0.0023404700000000, 0.0021953100000000, -0.0007563800000000 ] - [ 0.0002316400000000, 0.0021848500000000, 0.0003659800000000 ] - [ 0.0002551400000000, 0.0010456900000000, 0.0002804100000000 ] - [ 0.0007539100000000, 0.0032940400000000, -0.0019995600000000 ] - [ 0.0001642900000000, 0.0006682500000000, 0.0002609900000000 ] - [ 0.0021458400000000, -0.0028353800000000, 0.0006087000000000 ] - [ -0.0012058100000000, -0.0014957500000000, -0.0000936100000000 ] - [ 0.0113298900000000, -0.0256222800000000, 0.0039523800000000 ] - [ 0.0008187500000000, -0.0009167300000000, 0.0001573300000000 ] - [ 0.0007336500000000, -0.0024955000000000, 0.0004529800000000 ] - [ -0.0015158900000000, -0.0024242900000000, -0.0004377700000000 ] - [ 0.0002308100000000, 0.0006982700000000, -0.0001971700000000 ] - [ 0.0004860400000000, -0.0000518800000000, -0.0001028000000000 ] - [ 0.0019703100000000, 0.0025612600000000, 0.0008597700000000 ] - [ 0.0004291200000000, -0.0007140000000000, 0.0002823500000000 ] - [ -0.0017483500000000, 0.0005064300000000, 0.0003401600000000 ] - [ -0.0000473800000000, 0.0005734400000000, 0.0009531700000000 ] - [ -0.0001711200000000, 0.0007131400000000, -0.0000745800000000 ] - [ -0.0007502700000000, 0.0005809300000000, -0.0002813500000000 ] - [ 0.0003092100000000, -0.0030496300000000, 0.0003416900000000 ] - [ 0.0005404700000000, -0.0009306500000000, 0.0000932700000000 ] - [ 0.0018799700000000, 0.0015888400000000, -0.0003753100000000 ] - [ 0.0005520600000000, -0.0000978700000000, -0.0006163000000000 ] - [ -0.0000441200000000, 0.0017029300000000, 0.0000421100000000 ] - [ 0.0002692900000000, 0.0006755500000000, 0.0001217700000000 ] - [ -0.0000496300000000, 0.0006427500000000, 0.0001562800000000 ] - [ -0.0005933800000000, 0.0006432800000000, 0.0000340100000000 ] - [ -0.0020329100000000, 0.0002595200000000, -0.0006526000000000 ] - [ 0.0001973300000000, -0.0000136500000000, -0.0003488500000000 ] - [ -0.0041973600000000, -0.0163428600000000, 0.0005849800000000 ] - [ -0.0005227200000000, 0.0001884700000000, -0.0000803600000000 ] - [ -0.0057505100000000, -0.0038886800000000, -0.0012345900000000 ] - [ 0.0000787100000000, 0.0002935700000000, 0.0001573600000000 ] - [ 0.0001359500000000, 0.0008587900000000, 0.0000192300000000 ] - [ 0.0011386500000000, 0.0036242100000000, 0.0004873400000000 ] - [ 0.0000411900000000, -0.0016499100000000, 0.0004728100000000 ] - [ -0.0000520400000000, -0.0008372100000000, 0.0003750600000000 ] - [ -0.0002489900000000, -0.0007386000000000, -0.0001202800000000 ] - [ -0.0002490200000000, -0.0009088200000000, -0.0001103200000000 ] - [ -0.0005773500000000, 0.0011730100000000, -0.0010426100000000 ] - [ 0.0005526700000000, 0.0005238300000000, -0.0005363100000000 ] - [ -0.0006514600000000, -0.0020808000000000, 0.0002131700000000 ] - [ 0.0000292200000000, -0.0003152700000000, 0.0000172100000000 ] - [ 0.0037326500000000, -0.0024852800000000, -0.0041709500000000 ] - [ -0.0002623800000000, 0.0003588000000000, 0.0001206600000000 ] - [ -0.0011796000000000, -0.0006804300000000, -0.0006462600000000 ] - [ 0.0004190400000000, -0.0004474200000000, -0.0003382900000000 ] - [ 0.0003230000000000, -0.0003215100000000, -0.0000029100000000 ] - [ 0.0007569100000000, -0.0007061000000000, 0.0000649400000000 ] - [ 0.0003891200000000, -0.0006407400000000, -0.0000589800000000 ] - [ -0.0000636000000000, -0.0004254500000000, -0.0001825800000000 ] - [ -0.0002093100000000, -0.0001195300000000, 0.0002759000000000 ] - [ -0.0009503800000000, -0.0006126800000000, 0.0001845400000000 ] - [ 0.0007409500000000, -0.0002510300000000, 0.0002377000000000 ] - [ -0.0001453100000000, 0.0002748100000000, 0.0000007100000000 ] - [ 0.0002823300000000, 0.0015584500000000, -0.0002866000000000 ] - [ -0.0003803900000000, 0.0010479700000000, -0.0009834500000000 ] - [ 0.0019148000000000, -0.0016453100000000, 0.0006083400000000 ] - [ -0.0000016900000000, -0.0000284500000000, -0.0002540000000000 ] - [ 0.0004832400000000, -0.0006756900000000, 0.0002480500000000 ] - [ -0.0002121600000000, -0.0006592600000000, -0.0000966800000000 ] - [ 0.0003632800000000, -0.0020329900000000, 0.0012437100000000 ] - [ -0.0004982100000000, 0.0001285900000000, -0.0000191800000000 ] - [ -0.0012715100000000, -0.0012901700000000, -0.0003337800000000 ] - [ -0.0005317700000000, -0.0002244000000000, 0.0003386200000000 ] - [ -0.0016435600000000, 0.0003639700000000, -0.0002518900000000 ] - [ 0.0002687400000000, 0.0003506800000000, 0.0000561900000000 ] - [ 0.0007410200000000, -0.0021763100000000, 0.0004615000000000 ] - [ 0.0004205800000000, -0.0008457500000000, 0.0003699200000000 ] - [ -0.0005084800000000, 0.0007237900000000, -0.0002585500000000 ] - [ 0.0013220100000000, 0.0004329700000000, 0.0005149600000000 ] - [ -0.0002904600000000, -0.0001618200000000, -0.0003111900000000 ] - [ 0.0001108000000000, -0.0005556000000000, -0.0001587000000000 ] - [ 0.0010493100000000, 0.0005628300000000, 0.0077993700000000 ] - [ -0.0007664600000000, 0.0005306400000000, 0.0000360500000000 ] - [ -0.0000397400000000, -0.0006334100000000, 0.0000867200000000 ] - [ -0.0000496600000000, -0.0001798000000000, 0.0000468600000000 ] - [ 0.0005311800000000, -0.0003818300000000, -0.0000657800000000 ] - [ 0.0007387500000000, -0.0003665500000000, -0.0000384100000000 ] - [ -0.0002741100000000, -0.0008013800000000, 0.0006064700000000 ] - [ -0.0003923500000000, -0.0004585500000000, 0.0006209700000000 ] - [ 0.0001826200000000, -0.0004590100000000, 0.0000939800000000 ] - [ -0.0001992200000000, -0.0003150900000000, -0.0000234500000000 ] - [ 0.0001012200000000, -0.0005748800000000, 0.0000700000000000 ] - [ 0.0001293900000000, 0.0003183200000000, 0.0001555100000000 ] - [ 0.0017817900000000, -0.0059244900000000, -0.0005892600000000 ] - [ 0.0002343300000000, 0.0003741600000000, -0.0002748000000000 ] - [ -0.0001027400000000, -0.0006817400000000, -0.0006915700000000 ] - [ -0.0000190800000000, -0.0003499000000000, -0.0006464900000000 ] - [ -0.0003918300000000, 0.0038199200000000, 0.0000161000000000 ] - [ 0.0001286000000000, 0.0002611600000000, 0.0001281300000000 ] - [ 0.0000542100000000, -0.0009237600000000, 0.0001518800000000 ] - [ 0.0000215900000000, 0.0003183100000000, 0.0002012900000000 ] - [ 0.0012156900000000, -0.0008097600000000, -0.0002742200000000 ] - [ 0.0003617600000000, -0.0006566100000000, -0.0003665400000000 ] - [ -0.0120489600000000, 0.0742100200000000, -0.0108764500000000 ] - [ 0.0002018700000000, 0.0002645200000000, -0.0001303400000000 ] - [ -0.0009532700000000, 0.0005066700000000, 0.0001626400000000 ] - [ 0.0007405900000000, 0.0009736900000000, 0.0004066500000000 ] - [ 0.0003362900000000, -0.0014092700000000, -0.0001708600000000 ] - [ 0.0003035100000000, -0.0008635300000000, -0.0002360500000000 ] - [ 0.0003310200000000, -0.0004172000000000, -0.0002721500000000 ] - [ -0.0008318800000000, -0.0007271300000000, -0.0015253200000000 ] - [ 0.0000855300000000, -0.0002181700000000, 0.0002567100000000 ] - [ 0.0000788100000000, 0.0002739200000000, 0.0002829500000000 ] - [ -0.0006723900000000, -0.0003864200000000, -0.0002823600000000 ] - [ 0.0002329400000000, -0.0000756000000000, 0.0000714000000000 ] - [ -0.0004580100000000, 0.0006840100000000, 0.0000386800000000 ] - [ 0.0001685200000000, 0.0002954400000000, 0.0002897700000000 ] - [ 0.0005138200000000, 0.0007579700000000, -0.0001108000000000 ] - [ -0.0012710600000000, 0.0004665500000000, 0.0004556800000000 ] - [ -0.0002119200000000, -0.0006988000000000, 0.0000969400000000 ] - [ -0.0001581100000000, -0.0008992700000000, 0.0001041900000000 ] - [ 0.0005421300000000, -0.0003476700000000, 0.0000369600000000 ] - [ -0.0001652400000000, -0.0008993900000000, -0.0002121800000000 ] - [ -0.0010044200000000, -0.0009835700000000, 0.0000952700000000 ] - [ 0.0000285500000000, -0.0003748800000000, 0.0002287700000000 ] - [ 0.0024937700000000, 0.0024193900000000, 0.0013054400000000 ] - [ -0.0003042100000000, 0.0009423900000000, 0.0010428200000000 ] - [ -0.0000266000000000, -0.0002872100000000, -0.0002287300000000 ] - [ 0.0003555200000000, -0.0004013500000000, -0.0000956800000000 ] - [ 0.0001323400000000, 0.0013486900000000, -0.0002264600000000 ] - [ 0.0011376200000000, 0.0034227900000000, -0.0002517400000000 ] - [ 0.0002291600000000, -0.0005112100000000, 0.0004601600000000 ] - [ 0.0003210900000000, -0.0002368300000000, 0.0004659200000000 ]- atom: 115 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ 0.0001249500000000, 0.0003034900000000, -0.0002116100000000 ] - [ -0.0016561900000000, 0.0000616900000000, 0.0053310000000000 ] - [ -0.0004314900000000, -0.0009822500000000, -0.0001508100000000 ] - [ 0.0000690500000000, 0.0004114200000000, -0.0001519900000000 ] - [ -0.0009551100000000, 0.0009715800000000, -0.0002438300000000 ] - [ 0.0006208800000000, 0.0005360400000000, -0.0024876800000000 ] - [ -0.0019779100000000, -0.0057118600000000, 0.0097739200000000 ] - [ -0.0003183000000000, 0.0002323400000000, 0.0003454800000000 ] - [ -0.0005046500000000, 0.0000176500000000, 0.0003568200000000 ] - [ -0.0005461100000000, 0.0000491300000000, 0.0004064900000000 ] - [ 0.0005590600000000, 0.0029449500000000, 0.0091587100000000 ] - [ 0.0004288600000000, -0.0000478400000000, -0.0004332200000000 ] - [ -0.0000200500000000, 0.0010038600000000, 0.0000912800000000 ] - [ -0.0000616300000000, 0.0007416100000000, 0.0000683500000000 ] - [ 0.0001816300000000, 0.0003645100000000, -0.0003561900000000 ] - [ 0.0002168500000000, 0.0003330200000000, -0.0004165500000000 ] - [ -0.0002324500000000, 0.0002468900000000, 0.0001022500000000 ] - [ -0.0000317800000000, 0.0005761100000000, -0.0005066900000000 ] - [ -0.0000872400000000, 0.0005124800000000, -0.0002361000000000 ] - [ -0.0003276000000000, 0.0005535900000000, 0.0003719900000000 ] - [ 0.0002528500000000, 0.0003248700000000, 0.0002567400000000 ] - [ 0.0001802900000000, 0.0003343300000000, 0.0002492200000000 ] - [ 0.0004917400000000, 0.0016185900000000, 0.0001669300000000 ] - [ 0.0001530000000000, 0.0005421600000000, 0.0002451700000000 ] - [ -0.0003905600000000, -0.0000921700000000, 0.0009718800000000 ] - [ 0.0013609800000000, -0.0007723200000000, 0.0004127200000000 ] - [ -0.0007576900000000, -0.0020318100000000, 0.0103287900000000 ] - [ 0.0006192900000000, -0.0003045800000000, 0.0001729400000000 ] - [ -0.0001937100000000, -0.0008402400000000, -0.0007983500000000 ] - [ -0.0023396100000000, -0.0000922400000000, -0.0000572000000000 ] - [ 0.0004285000000000, -0.0006528900000000, -0.0001599400000000 ] - [ 0.0003578000000000, -0.0006712800000000, -0.0001367800000000 ] - [ 0.0003932000000000, -0.0007130500000000, 0.0016136900000000 ] - [ 0.0007110500000000, -0.0007277000000000, 0.0003463800000000 ] - [ -0.0008231800000000, -0.0000130500000000, 0.0002965800000000 ] - [ -0.0009809100000000, -0.0001936900000000, 0.0004968700000000 ] - [ -0.0004724200000000, -0.0003363000000000, -0.0001133400000000 ] - [ -0.0005058800000000, -0.0003411200000000, -0.0001833200000000 ] - [ 0.0022478400000000, -0.0002443900000000, -0.0051234900000000 ] - [ 0.0000665300000000, -0.0004351500000000, -0.0001367100000000 ] - [ 0.0014535000000000, -0.0001623300000000, -0.0017398500000000 ] - [ 0.0007198600000000, -0.0000440600000000, -0.0005748300000000 ] - [ 0.0001644300000000, 0.0000952400000000, 0.0001391600000000 ] - [ 0.0001394900000000, 0.0000706000000000, 0.0000951200000000 ] - [ -0.0002586300000000, -0.0003323700000000, 0.0000386700000000 ] - [ -0.0003501500000000, -0.0002563000000000, 0.0000614000000000 ] - [ -0.0008260400000000, -0.0005967600000000, -0.0001584900000000 ] - [ -0.0005960300000000, -0.0005324000000000, -0.0003720800000000 ] - [ -0.0000439100000000, -0.0015149000000000, -0.0031731300000000 ] - [ -0.0005623600000000, 0.0000334800000000, -0.0000823100000000 ] - [ -0.0001331800000000, -0.0003947500000000, -0.0024131600000000 ] - [ -0.0002308400000000, 0.0000303700000000, 0.0001069200000000 ] - [ 0.0001743000000000, 0.0002008500000000, 0.0001703900000000 ] - [ 0.0050287600000000, 0.0000920600000000, 0.0057110600000000 ] - [ -0.0000864400000000, -0.0006450800000000, 0.0005442400000000 ] - [ 0.0000200500000000, -0.0006104300000000, 0.0003836100000000 ] - [ -0.0002026500000000, -0.0002330100000000, -0.0001127300000000 ] - [ -0.0001876000000000, -0.0002486500000000, -0.0001205900000000 ] - [ 0.0013842900000000, 0.0000709200000000, -0.0003131000000000 ] - [ 0.0002038300000000, -0.0001098600000000, 0.0001833100000000 ] - [ -0.0005989400000000, -0.0019032000000000, -0.0002898200000000 ] - [ -0.0000278200000000, -0.0003390000000000, -0.0000155000000000 ] - [ -0.0031149500000000, 0.0051146400000000, 0.0023575900000000 ] - [ -0.0000684700000000, 0.0001548000000000, 0.0001009300000000 ] - [ -0.0003989600000000, -0.0005705400000000, -0.0004972600000000 ] - [ -0.0006311900000000, -0.0001556600000000, -0.0003419000000000 ] - [ 0.0005571000000000, 0.0000405500000000, 0.0000621300000000 ] - [ 0.0005439500000000, 0.0000226500000000, 0.0000940000000000 ] - [ 0.0001726200000000, -0.0000612300000000, -0.0001580800000000 ] - [ 0.0001607500000000, -0.0000411600000000, -0.0001250800000000 ] - [ -0.0003821300000000, 0.0001529700000000, 0.0002121700000000 ] - [ -0.0004649600000000, 0.0000687800000000, 0.0002161300000000 ] - [ -0.0000464900000000, -0.0001643700000000, 0.0009856100000000 ] - [ 0.0001995600000000, 0.0002420700000000, 0.0001667000000000 ] - [ -0.0005130600000000, 0.0002168500000000, 0.0006052600000000 ] - [ 0.0003405500000000, 0.0005126700000000, -0.0005731200000000 ] - [ 0.0007090700000000, -0.0005184700000000, -0.0008689400000000 ] - [ 0.0003024600000000, -0.0001395500000000, -0.0002188500000000 ] - [ 0.0001186500000000, -0.0004533000000000, 0.0000224100000000 ] - [ 0.0000414000000000, -0.0003512000000000, 0.0001015700000000 ] - [ -0.0021451600000000, 0.0004942500000000, 0.0038065900000000 ] - [ -0.0003173400000000, -0.0000570600000000, 0.0000276600000000 ] - [ -0.0003452800000000, 0.0007599700000000, 0.0002864800000000 ] - [ -0.0006763500000000, -0.0002928000000000, 0.0003369600000000 ] - [ -0.0008607300000000, 0.0001389700000000, 0.0014163500000000 ] - [ 0.0001854900000000, 0.0000492400000000, -0.0000443500000000 ] - [ 0.0004610400000000, -0.0006839500000000, 0.0001762800000000 ] - [ 0.0004318700000000, -0.0006546500000000, 0.0003629500000000 ] - [ -0.0001012800000000, 0.0006129700000000, -0.0000428500000000 ] - [ 0.0008839700000000, -0.0003675800000000, 0.0000976900000000 ] - [ -0.0000865700000000, 0.0001617800000000, -0.0002474300000000 ] - [ -0.0000345600000000, 0.0000464100000000, -0.0002647600000000 ] - [ 0.0030185200000000, -0.0057934100000000, 0.0097377600000000 ] - [ -0.0006557000000000, 0.0001876700000000, 0.0001436400000000 ] - [ -0.0001254000000000, 0.0001539600000000, 0.0000328800000000 ] - [ -0.0001015400000000, 0.0001721100000000, 0.0000153000000000 ] - [ 0.0006417600000000, 0.0001562800000000, -0.0000613300000000 ] - [ 0.0006828000000000, 0.0001506800000000, -0.0000747300000000 ] - [ -0.0003289000000000, -0.0001468100000000, 0.0006318600000000 ] - [ -0.0003025700000000, -0.0001404300000000, 0.0006371500000000 ] - [ 0.0000190900000000, 0.0000310500000000, 0.0000823900000000 ] - [ 0.0000549800000000, 0.0000768400000000, 0.0000620600000000 ] - [ 0.0000468300000000, 0.0005349300000000, 0.0002865900000000 ] - [ 0.0001254200000000, 0.0005268000000000, 0.0001608200000000 ] - [ 0.0007377300000000, 0.0011191400000000, -0.0025706900000000 ] - [ 0.0003873700000000, 0.0001898900000000, -0.0002323000000000 ] - [ -0.0001120100000000, 0.0000140500000000, -0.0007000200000000 ] - [ -0.0000873800000000, 0.0000197100000000, -0.0006703900000000 ] - [ -0.0016304300000000, -0.0002257200000000, 0.0049731800000000 ] - [ 0.0002907500000000, -0.0002078400000000, 0.0001459900000000 ] - [ 0.0000587400000000, 0.0005730400000000, 0.0000236400000000 ] - [ 0.0000253800000000, 0.0005470600000000, 0.0002135000000000 ] - [ 0.0006150900000000, -0.0001973400000000, -0.0003167800000000 ] - [ 0.0007196000000000, -0.0003148500000000, -0.0003537600000000 ] - [ 0.0055020500000000, 0.0075788100000000, -0.0495761600000000 ] - [ 0.0001723600000000, -0.0001834800000000, -0.0001095100000000 ] - [ -0.0005898700000000, -0.0005242700000000, 0.0002045300000000 ] - [ -0.0000897500000000, -0.0004129700000000, -0.0008847000000000 ] - [ 0.0003438300000000, -0.0005650700000000, -0.0002171300000000 ] - [ 0.0003603300000000, -0.0005330900000000, -0.0002138900000000 ] - [ 0.0000001200000000, -0.0006489800000000, -0.0002607000000000 ] - [ 0.0003542800000000, -0.0003339000000000, -0.0004312400000000 ] - [ 0.0000234700000000, 0.0005778400000000, 0.0002536700000000 ] - [ 0.0000250800000000, 0.0006004600000000, 0.0002800600000000 ] - [ -0.0002445200000000, 0.0001987200000000, -0.0000161800000000 ] - [ -0.0000504200000000, 0.0001328200000000, -0.0001399500000000 ] - [ -0.0003300700000000, 0.0001091400000000, 0.0013067900000000 ] - [ 0.0002005000000000, 0.0001069100000000, 0.0002883400000000 ] - [ 0.0000247600000000, 0.0005296900000000, -0.0003359200000000 ] - [ -0.0003202100000000, 0.0003377600000000, -0.0002478200000000 ] - [ -0.0001952200000000, -0.0002148500000000, 0.0001039500000000 ] - [ -0.0002002300000000, -0.0002223100000000, 0.0001158900000000 ] - [ 0.0003788000000000, -0.0000934900000000, 0.0000147300000000 ] - [ 0.0004913100000000, 0.0000412100000000, -0.0000126100000000 ] - [ -0.0004031900000000, -0.0001526100000000, 0.0000610900000000 ] - [ -0.0003406200000000, -0.0000728200000000, 0.0002226100000000 ] - [ 0.0002174500000000, 0.0001165200000000, -0.0011453100000000 ] - [ -0.0002972500000000, -0.0001766900000000, 0.0004510600000000 ] - [ 0.0001128100000000, 0.0001773600000000, -0.0001678600000000 ] - [ 0.0001192700000000, 0.0001184600000000, -0.0001354500000000 ] - [ 0.0000785400000000, 0.0006175100000000, -0.0004125400000000 ] - [ -0.0058538400000000, 0.0007902100000000, 0.0021298300000000 ] - [ 0.0002131500000000, 0.0001263700000000, 0.0004673300000000 ] - [ 0.0002621600000000, 0.0001230600000000, 0.0004587900000000 ]- atom: 115 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0005387900000000, 0.0003319800000000, -0.0002944100000000 ] - [ 0.0012887600000000, 0.0005690200000000, -0.0058346900000000 ] - [ 0.0006348200000000, 0.0017410900000000, -0.0000946900000000 ] - [ 0.0001426900000000, 0.0003377400000000, -0.0001118300000000 ] - [ 0.0010201600000000, 0.0004790600000000, 0.0000905300000000 ] - [ -0.0005656800000000, 0.0009003200000000, 0.0023406600000000 ] - [ 0.0014558500000000, 0.0057656800000000, -0.0085985500000000 ] - [ -0.0000897700000000, 0.0003526800000000, 0.0003475800000000 ] - [ -0.0005435800000000, -0.0000088800000000, 0.0003451100000000 ] - [ -0.0005006700000000, -0.0000376800000000, 0.0002954300000000 ] - [ 0.0004969300000000, -0.0034333800000000, -0.0105684500000000 ] - [ 0.0006170300000000, 0.0000479800000000, -0.0002702200000000 ] - [ -0.0000427400000000, 0.0004615100000000, 0.0000520500000000 ] - [ -0.0000006900000000, 0.0007157800000000, 0.0000736600000000 ] - [ 0.0002275700000000, 0.0002281800000000, -0.0003388000000000 ] - [ 0.0001936100000000, 0.0002625500000000, -0.0002775700000000 ] - [ 0.0000270100000000, 0.0005018500000000, 0.0001599200000000 ] - [ -0.0001917300000000, 0.0001855400000000, 0.0007639500000000 ] - [ -0.0002858300000000, 0.0005101600000000, -0.0002767700000000 ] - [ -0.0000535700000000, 0.0004693200000000, -0.0008876700000000 ] - [ 0.0001547600000000, 0.0003230600000000, 0.0002537900000000 ] - [ 0.0002275400000000, 0.0003071600000000, 0.0002626700000000 ] - [ -0.0001144200000000, -0.0005857900000000, 0.0003282200000000 ] - [ 0.0002239500000000, 0.0004822800000000, 0.0002701300000000 ] - [ 0.0000781500000000, 0.0001517700000000, -0.0011682700000000 ] - [ -0.0016682800000000, 0.0008414700000000, -0.0006144900000000 ] - [ 0.0017615600000000, 0.0012625800000000, -0.0099589000000000 ] - [ 0.0003631700000000, -0.0004063300000000, 0.0001651000000000 ] - [ -0.0005619100000000, -0.0005609300000000, 0.0010616800000000 ] - [ 0.0015562200000000, -0.0013090100000000, 0.0003239400000000 ] - [ 0.0003447900000000, -0.0007341500000000, -0.0001017700000000 ] - [ 0.0004171500000000, -0.0007185300000000, -0.0001245000000000 ] - [ 0.0010167100000000, -0.0006626400000000, -0.0008966300000000 ] - [ 0.0006931600000000, -0.0006446500000000, 0.0003696400000000 ] - [ -0.0009016900000000, -0.0001434200000000, 0.0007548500000000 ] - [ -0.0007398400000000, 0.0000416300000000, 0.0005581400000000 ] - [ -0.0005033200000000, -0.0003707000000000, -0.0002232600000000 ] - [ -0.0004726500000000, -0.0003655800000000, -0.0001542300000000 ] - [ -0.0016514700000000, -0.0004655100000000, 0.0049892600000000 ] - [ 0.0005267100000000, -0.0002499200000000, -0.0000022500000000 ] - [ 0.0002838800000000, 0.0000213000000000, 0.0006834200000000 ] - [ 0.0010046400000000, -0.0001217700000000, -0.0004849000000000 ] - [ 0.0001343400000000, -0.0000089800000000, 0.0000528600000000 ] - [ 0.0001616100000000, 0.0000111300000000, 0.0000970000000000 ] - [ -0.0003345000000000, -0.0003507400000000, 0.0001109800000000 ] - [ -0.0002472100000000, -0.0004273100000000, 0.0000883300000000 ] - [ -0.0005865400000000, -0.0007684800000000, -0.0005698200000000 ] - [ -0.0008053400000000, -0.0008333500000000, -0.0003558400000000 ] - [ -0.0010938900000000, 0.0014846400000000, 0.0030221200000000 ] - [ -0.0005572300000000, 0.0000323200000000, -0.0000817700000000 ] - [ -0.0001852200000000, 0.0004021300000000, 0.0026685300000000 ] - [ -0.0001049200000000, -0.0000607100000000, 0.0001507100000000 ] - [ 0.0000558900000000, 0.0001758600000000, -0.0001932900000000 ] - [ -0.0047220300000000, 0.0002846600000000, -0.0056774400000000 ] - [ 0.0000567900000000, -0.0005862200000000, 0.0002057200000000 ] - [ -0.0000504800000000, -0.0006128600000000, 0.0003654300000000 ] - [ -0.0001884300000000, -0.0002041600000000, -0.0001349400000000 ] - [ -0.0002031900000000, -0.0001896100000000, -0.0001271100000000 ] - [ -0.0007704000000000, -0.0003206600000000, -0.0009592400000000 ] - [ 0.0004274500000000, -0.0001438800000000, -0.0014603500000000 ] - [ 0.0004635200000000, 0.0011844600000000, 0.0002790000000000 ] - [ -0.0001002100000000, -0.0003578900000000, 0.0000165800000000 ] - [ 0.0028898900000000, -0.0047762800000000, -0.0020363400000000 ] - [ -0.0001403600000000, 0.0001415000000000, 0.0002353200000000 ] - [ -0.0004557600000000, -0.0006963500000000, -0.0002237600000000 ] - [ -0.0002200000000000, -0.0011126900000000, -0.0003744100000000 ] - [ 0.0005607800000000, 0.0000240600000000, 0.0000998800000000 ] - [ 0.0005759700000000, 0.0000398500000000, 0.0000700700000000 ] - [ 0.0001644200000000, 0.0000261700000000, -0.0000994000000000 ] - [ 0.0001739300000000, 0.0000066800000000, -0.0001328900000000 ] - [ -0.0004016000000000, 0.0001948800000000, 0.0002574800000000 ] - [ -0.0003213200000000, 0.0002766700000000, 0.0002539500000000 ] - [ 0.0003126000000000, 0.0005911300000000, -0.0007183500000000 ] - [ 0.0000636700000000, 0.0001795700000000, 0.0000996400000000 ] - [ 0.0000300000000000, 0.0000800300000000, -0.0015141400000000 ] - [ -0.0008175600000000, -0.0002152900000000, -0.0003390600000000 ] - [ -0.0000044100000000, 0.0002967900000000, 0.0004016300000000 ] - [ 0.0003916100000000, -0.0000718900000000, -0.0002558200000000 ] - [ 0.0000108200000000, -0.0002452600000000, -0.0000230800000000 ] - [ 0.0000857600000000, -0.0003477200000000, -0.0001044700000000 ] - [ 0.0013918000000000, -0.0006629500000000, -0.0037798500000000 ] - [ -0.0004545900000000, -0.0000830700000000, -0.0000059500000000 ] - [ -0.0010659800000000, -0.0013696900000000, 0.0002836700000000 ] - [ -0.0007234400000000, -0.0003016200000000, 0.0002261300000000 ] - [ 0.0007760700000000, 0.0000120100000000, -0.0015344800000000 ] - [ -0.0002519000000000, 0.0001063100000000, -0.0000648800000000 ] - [ 0.0003962700000000, -0.0005926100000000, 0.0005444200000000 ] - [ 0.0004231800000000, -0.0006154400000000, 0.0003575100000000 ] - [ -0.0001152300000000, 0.0004774500000000, -0.0002740900000000 ] - [ -0.0010818800000000, 0.0014563400000000, -0.0004151500000000 ] - [ -0.0000766100000000, 0.0001454000000000, -0.0002763600000000 ] - [ -0.0001251300000000, 0.0002585800000000, -0.0002595100000000 ] - [ -0.0044279700000000, 0.0062467900000000, -0.0097308200000000 ] - [ -0.0006741900000000, 0.0001627600000000, -0.0000307300000000 ] - [ -0.0001065200000000, 0.0002163700000000, -0.0000123200000000 ] - [ -0.0001308800000000, 0.0002005800000000, 0.0000048400000000 ] - [ 0.0006869500000000, 0.0001901600000000, -0.0000536200000000 ] - [ 0.0006469200000000, 0.0001959600000000, -0.0000396900000000 ] - [ -0.0002966200000000, -0.0001122200000000, 0.0006453600000000 ] - [ -0.0003236500000000, -0.0001172100000000, 0.0006403700000000 ] - [ 0.0000491200000000, 0.0001199000000000, 0.0000248000000000 ] - [ 0.0000115800000000, 0.0000733400000000, 0.0000443500000000 ] - [ 0.0001655700000000, 0.0005506000000000, 0.0000272400000000 ] - [ 0.0000864100000000, 0.0005620700000000, 0.0001530800000000 ] - [ 0.0000489100000000, -0.0007504900000000, 0.0021050900000000 ] - [ 0.0003970800000000, 0.0001605800000000, -0.0002397700000000 ] - [ -0.0000890800000000, 0.0000488100000000, -0.0006515200000000 ] - [ -0.0001134100000000, 0.0000444600000000, -0.0006808400000000 ] - [ 0.0020169500000000, -0.0001906000000000, -0.0047225300000000 ] - [ 0.0000993500000000, -0.0002250800000000, 0.0001001300000000 ] - [ -0.0000213000000000, 0.0005212100000000, 0.0003961300000000 ] - [ 0.0000106500000000, 0.0005499000000000, 0.0002068600000000 ] - [ 0.0007877600000000, -0.0003992500000000, -0.0002484000000000 ] - [ 0.0006795100000000, -0.0002826900000000, -0.0002108000000000 ] - [ -0.0051193700000000, -0.0069439300000000, 0.0496867400000000 ] - [ 0.0002220000000000, -0.0002154100000000, -0.0001202900000000 ] - [ -0.0001168700000000, -0.0005092600000000, 0.0002261500000000 ] - [ -0.0006254300000000, -0.0006128100000000, 0.0013195400000000 ] - [ 0.0003629900000000, -0.0004768700000000, -0.0002210900000000 ] - [ 0.0003462300000000, -0.0005066100000000, -0.0002250700000000 ] - [ 0.0000306400000000, -0.0005729700000000, -0.0004905500000000 ] - [ -0.0003238200000000, -0.0008915100000000, -0.0003314000000000 ] - [ 0.0000173100000000, 0.0006416400000000, 0.0003037100000000 ] - [ 0.0000154000000000, 0.0006215000000000, 0.0002775100000000 ] - [ -0.0000228800000000, 0.0002184300000000, -0.0002552900000000 ] - [ -0.0002102100000000, 0.0002880700000000, -0.0001295400000000 ] - [ 0.0004928900000000, 0.0002082100000000, -0.0007845000000000 ] - [ -0.0000401600000000, 0.0002017800000000, 0.0002338300000000 ] - [ -0.0000576800000000, 0.0005670300000000, -0.0000842200000000 ] - [ 0.0002771200000000, 0.0007570700000000, -0.0001620600000000 ] - [ -0.0002001300000000, -0.0001882500000000, 0.0001238600000000 ] - [ -0.0001948300000000, -0.0001821100000000, 0.0001119400000000 ] - [ 0.0003934900000000, -0.0000491300000000, -0.0000370200000000 ] - [ 0.0002793600000000, -0.0001868000000000, -0.0000108900000000 ] - [ -0.0002965100000000, -0.0000597300000000, 0.0004108500000000 ] - [ -0.0003543900000000, -0.0001387800000000, 0.0002506200000000 ] - [ 0.0000275800000000, -0.0000509800000000, 0.0025067200000000 ] - [ 0.0004948400000000, 0.0002484100000000, 0.0009068000000000 ] - [ 0.0000928700000000, 0.0001165100000000, -0.0001704000000000 ] - [ 0.0000893700000000, 0.0001740300000000, -0.0002021900000000 ] - [ -0.0001159000000000, 0.0006093300000000, -0.0001443000000000 ] - [ 0.0058832500000000, 0.0004358900000000, -0.0026979400000000 ] - [ 0.0002635000000000, 0.0001602500000000, 0.0004353600000000 ] - [ 0.0002150100000000, 0.0001653600000000, 0.0004438800000000 ]- atom: 117 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ 0.0060970500000000, -0.0018185600000000, -0.0008610900000000 ] - [ -0.0013488200000000, 0.0000388600000000, -0.0004728200000000 ] - [ -0.0001473300000000, -0.0001808500000000, -0.0002431500000000 ] - [ -0.0000387300000000, 0.0010944100000000, 0.0000033200000000 ] - [ 0.0022206200000000, 0.0012321500000000, 0.0018694900000000 ] - [ -0.0009155400000000, 0.0005730400000000, -0.0004012500000000 ] - [ -0.0038055900000000, 0.0003625100000000, -0.0012329900000000 ] - [ -0.0044310000000000, -0.0009062800000000, 0.0017467300000000 ] - [ -0.0002131300000000, 0.0001214900000000, 0.0004163200000000 ] - [ -0.0008119700000000, 0.0000506200000000, 0.0002829300000000 ] - [ -0.0008418500000000, -0.0005651300000000, -0.0000588700000000 ] - [ -0.0007605800000000, -0.0002037000000000, -0.0021615300000000 ] - [ -0.0000449200000000, 0.0013538500000000, 0.0000240900000000 ] - [ -0.0001602800000000, 0.0003239900000000, 0.0001007100000000 ] - [ 0.0004684700000000, 0.0004112500000000, -0.0002620600000000 ] - [ -0.0000600900000000, 0.0003420800000000, -0.0004245500000000 ] - [ 0.0007640500000000, -0.0003581700000000, 0.0015046600000000 ] - [ -0.0010336100000000, 0.0007513600000000, -0.0002002800000000 ] - [ 0.0035439400000000, -0.0015809900000000, -0.0007678900000000 ] - [ -0.0013014700000000, 0.0008425700000000, -0.0004787300000000 ] - [ 0.0001049500000000, 0.0007470300000000, 0.0002619400000000 ] - [ 0.0002357700000000, 0.0000362100000000, 0.0002080100000000 ] - [ 0.0000299700000000, 0.0000986300000000, 0.0002784800000000 ] - [ 0.0001218900000000, 0.0010542200000000, 0.0000800400000000 ] - [ 0.0144471700000000, -0.0005745500000000, -0.0104524300000000 ] - [ -0.0014102900000000, 0.0000446600000000, -0.0004005200000000 ] - [ -0.0007244200000000, -0.0021901300000000, 0.0003090300000000 ] - [ -0.0006968800000000, 0.0005706200000000, -0.0002457600000000 ] - [ 0.0094063900000000, -0.0012609900000000, -0.0013544100000000 ] - [ -0.0015622800000000, -0.0007238600000000, -0.0002212500000000 ] - [ 0.0005317500000000, -0.0006292000000000, -0.0000847800000000 ] - [ 0.0002347100000000, -0.0006396500000000, -0.0001775100000000 ] - [ -0.0000889400000000, 0.0020216100000000, 0.0006342600000000 ] - [ -0.0005071400000000, -0.0016837000000000, 0.0000448800000000 ] - [ -0.0001663900000000, 0.0000911600000000, 0.0007515400000000 ] - [ -0.0012945800000000, -0.0000422900000000, 0.0004134400000000 ] - [ 0.0000779100000000, -0.0000877100000000, 0.0000330100000000 ] - [ -0.0008941800000000, -0.0003666900000000, -0.0003059300000000 ] - [ 0.0003381000000000, -0.0015304700000000, -0.0004196500000000 ] - [ -0.0004277900000000, 0.0001803800000000, -0.0001903600000000 ] - [ 0.0007363300000000, 0.0018313200000000, -0.0009263000000000 ] - [ 0.0002821900000000, -0.0005943300000000, -0.0006011700000000 ] - [ 0.0002947900000000, 0.0000855400000000, 0.0001254100000000 ] - [ -0.0000072200000000, 0.0001183300000000, 0.0000577600000000 ] - [ 0.0002537400000000, -0.0002308300000000, 0.0002034400000000 ] - [ -0.0006990900000000, -0.0003189900000000, -0.0000135900000000 ] - [ 0.0000262400000000, -0.0006596700000000, -0.0002150800000000 ] - [ -0.0011418100000000, -0.0006262800000000, -0.0004758100000000 ] - [ -0.0002790400000000, 0.0003774400000000, -0.0000549500000000 ] - [ -0.0001118200000000, -0.0006941800000000, 0.0001186400000000 ] - [ 0.0068343200000000, -0.0036036200000000, -0.0036303000000000 ] - [ 0.0007435900000000, 0.0000532300000000, 0.0004513000000000 ] - [ 0.0034882200000000, -0.0042493200000000, -0.0071371800000000 ] - [ 0.0008875900000000, 0.0004911600000000, 0.0002618200000000 ] - [ 0.0001437800000000, -0.0010302700000000, 0.0004802900000000 ] - [ -0.0000033500000000, -0.0003437300000000, 0.0003343700000000 ] - [ -0.0003342100000000, -0.0002475200000000, -0.0001470100000000 ] - [ -0.0000775000000000, -0.0002488800000000, -0.0001014200000000 ] - [ -0.0008457500000000, 0.0001892000000000, -0.0023882900000000 ] - [ 0.0009043000000000, -0.0001662600000000, -0.0004171600000000 ] - [ 0.0002746700000000, -0.0013045700000000, 0.0002811300000000 ] - [ 0.0003896400000000, 0.0002396300000000, -0.0001224000000000 ] - [ 0.0000775800000000, 0.0009599900000000, 0.0004598800000000 ] - [ 0.0002636300000000, -0.0001882200000000, 0.0001060200000000 ] - [ -0.0031598600000000, -0.0016580600000000, -0.0014389800000000 ] - [ 0.0000834800000000, -0.0005599900000000, -0.0002201300000000 ] - [ 0.0002595700000000, 0.0002198000000000, 0.0000373800000000 ] - [ 0.0008113000000000, -0.0000847800000000, 0.0001527100000000 ] - [ -0.0000167600000000, -0.0000402400000000, -0.0001876700000000 ] - [ 0.0003283300000000, -0.0000431600000000, -0.0000750700000000 ] - [ -0.0005553900000000, 0.0000287800000000, 0.0001918400000000 ] - [ -0.0002290700000000, 0.0002174900000000, 0.0002838400000000 ] - [ -0.0001553900000000, 0.0005568600000000, 0.0000702400000000 ] - [ 0.0003998200000000, 0.0000322600000000, 0.0002074500000000 ] - [ -0.0025905600000000, 0.0022861700000000, 0.0011298400000000 ] - [ 0.0003595000000000, 0.0001705100000000, -0.0002603000000000 ] - [ 0.0001167600000000, 0.0005045400000000, -0.0003851100000000 ] - [ 0.0006952500000000, -0.0003338100000000, -0.0001292700000000 ] - [ -0.0001886900000000, -0.0004708100000000, -0.0001150200000000 ] - [ 0.0002465900000000, -0.0003512900000000, 0.0000620900000000 ] - [ 0.0004017800000000, -0.0005149200000000, 0.0003604000000000 ] - [ -0.0003378700000000, 0.0004277800000000, -0.0002765700000000 ] - [ -0.0007244500000000, -0.0010993600000000, 0.0000136800000000 ] - [ -0.0003066000000000, 0.0000169500000000, 0.0006000100000000 ] - [ 0.0015209700000000, -0.0030015600000000, 0.0055874500000000 ] - [ 0.0006585800000000, 0.0001655800000000, -0.0000008300000000 ] - [ 0.0004067800000000, -0.0005072200000000, 0.0003481600000000 ] - [ 0.0004960000000000, -0.0008396900000000, 0.0003962700000000 ] - [ 0.0008376200000000, 0.0055871300000000, -0.0056303100000000 ] - [ 0.0005971900000000, 0.0004543000000000, 0.0000462100000000 ] - [ -0.0003392300000000, 0.0004559800000000, -0.0003855700000000 ] - [ 0.0001993100000000, 0.0000166400000000, -0.0001886300000000 ] - [ -0.0005031200000000, 0.0006636200000000, -0.0002353200000000 ] - [ -0.0002721500000000, -0.0001470800000000, 0.0003680300000000 ] - [ -0.0000597400000000, 0.0000730500000000, 0.0000405000000000 ] - [ -0.0001508300000000, 0.0002294600000000, -0.0000072000000000 ] - [ 0.0004192900000000, 0.0000880700000000, -0.0000817700000000 ] - [ 0.0008378500000000, 0.0001745700000000, -0.0000210500000000 ] - [ -0.0004200000000000, -0.0001844200000000, 0.0006195000000000 ] - [ -0.0002110900000000, -0.0001340300000000, 0.0006593300000000 ] - [ -0.0001498300000000, 0.0000479000000000, 0.0000110700000000 ] - [ 0.0001893900000000, 0.0000488200000000, 0.0000879300000000 ] - [ 0.0001179000000000, 0.0006442100000000, 0.0001742300000000 ] - [ 0.0001167100000000, 0.0003717200000000, 0.0001389100000000 ] - [ 0.0016608100000000, -0.0003614900000000, -0.0000861800000000 ] - [ 0.0023728500000000, 0.0025161800000000, 0.0008688400000000 ] - [ -0.0002154000000000, -0.0001045600000000, -0.0007183200000000 ] - [ 0.0000417400000000, 0.0000720200000000, -0.0006342100000000 ] - [ 0.0005549900000000, 0.0003653400000000, 0.0005527400000000 ] - [ 0.0008589300000000, -0.0005417700000000, -0.0000666900000000 ] - [ 0.0002035300000000, 0.0000546300000000, 0.0002001500000000 ] - [ 0.0000576100000000, 0.0010798400000000, 0.0002535200000000 ] - [ 0.0004175100000000, -0.0003127500000000, -0.0003206200000000 ] - [ 0.0008882900000000, -0.0003513400000000, -0.0002405300000000 ] - [ 0.0011571000000000, 0.0004015300000000, -0.0001042900000000 ] - [ 0.0021128900000000, -0.0012862300000000, 0.0006717800000000 ] - [ -0.0377203900000000, 0.0040900500000000, 0.0229173100000000 ] - [ 0.0001882800000000, -0.0005258600000000, 0.0002975200000000 ] - [ 0.0003064600000000, -0.0005596200000000, -0.0002396200000000 ] - [ 0.0004029800000000, -0.0005475200000000, -0.0001992400000000 ] - [ -0.0003425700000000, -0.0012454900000000, -0.0010688500000000 ] - [ 0.0002899800000000, -0.0005179900000000, -0.0002712900000000 ] - [ 0.0000979800000000, 0.0005054800000000, 0.0002873300000000 ] - [ -0.0000336800000000, 0.0006563800000000, 0.0002735400000000 ] - [ -0.0009548200000000, -0.0002187100000000, -0.0003497400000000 ] - [ 0.0002820800000000, 0.0003287300000000, 0.0000089000000000 ] - [ 0.0003396400000000, 0.0004365100000000, 0.0003696100000000 ] - [ 0.0000608700000000, -0.0001601800000000, 0.0001877600000000 ] - [ -0.0008790500000000, 0.0000589100000000, 0.0003533000000000 ] - [ 0.0002693400000000, 0.0006421300000000, -0.0001724300000000 ] - [ -0.0003463200000000, -0.0002170100000000, 0.0000643900000000 ] - [ -0.0000572600000000, -0.0002505700000000, 0.0001582900000000 ] - [ 0.0002150400000000, -0.0002601500000000, -0.0000475800000000 ] - [ 0.0005679800000000, -0.0000083300000000, 0.0000257900000000 ] - [ -0.0010440300000000, -0.0008411200000000, 0.0001119300000000 ] - [ 0.0001091500000000, 0.0000610700000000, 0.0003120200000000 ] - [ 0.0015100000000000, 0.0062389700000000, -0.0037889900000000 ] - [ 0.0008324600000000, 0.0000169600000000, 0.0008394300000000 ] - [ -0.0002145400000000, 0.0001784900000000, -0.0002928500000000 ] - [ 0.0003306200000000, 0.0000773300000000, -0.0000960700000000 ] - [ -0.0022812500000000, -0.0008065600000000, 0.0030148600000000 ] - [ 0.0007116600000000, 0.0007810200000000, -0.0001234400000000 ] - [ 0.0001082200000000, 0.0000350900000000, 0.0004224300000000 ] - [ 0.0003751800000000, 0.0001698500000000, 0.0004867900000000 ]- atom: 117 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ -0.0065164700000000, 0.0025377100000000, 0.0003401800000000 ] - [ 0.0009414300000000, 0.0005974400000000, -0.0000397300000000 ] - [ 0.0003588100000000, 0.0009280600000000, -0.0000208300000000 ] - [ 0.0002464400000000, -0.0003472900000000, -0.0002670600000000 ] - [ -0.0021605900000000, 0.0002258900000000, -0.0020148300000000 ] - [ 0.0009788200000000, 0.0008796400000000, 0.0002583800000000 ] - [ 0.0033828000000000, 0.0002277000000000, 0.0019125700000000 ] - [ 0.0040444600000000, 0.0015032100000000, -0.0010741300000000 ] - [ -0.0008345200000000, -0.0001177300000000, 0.0002860800000000 ] - [ -0.0002354700000000, -0.0000465900000000, 0.0004196100000000 ] - [ 0.0018884000000000, 0.0005651100000000, -0.0006327700000000 ] - [ 0.0018025300000000, 0.0002066000000000, 0.0014711700000000 ] - [ -0.0000160200000000, 0.0001020100000000, 0.0001189200000000 ] - [ 0.0000956700000000, 0.0011309200000000, 0.0000414100000000 ] - [ -0.0000588800000000, 0.0001762700000000, -0.0004319800000000 ] - [ 0.0004706200000000, 0.0002457600000000, -0.0002691100000000 ] - [ -0.0009756900000000, 0.0010992600000000, -0.0012451700000000 ] - [ 0.0008239100000000, -0.0000018500000000, 0.0004641000000000 ] - [ -0.0039372300000000, 0.0025784500000000, 0.0002499600000000 ] - [ 0.0009240500000000, 0.0001830100000000, -0.0000377900000000 ] - [ 0.0003034000000000, -0.0001068000000000, 0.0002512800000000 ] - [ 0.0001694500000000, 0.0006022400000000, 0.0003043800000000 ] - [ 0.0003478900000000, 0.0009242700000000, 0.0002386100000000 ] - [ 0.0002536800000000, -0.0000309900000000, 0.0004349800000000 ] - [ -0.0146595100000000, 0.0006394600000000, 0.0097789200000000 ] - [ 0.0011094000000000, 0.0000297200000000, 0.0002165700000000 ] - [ 0.0017030900000000, 0.0014738300000000, 0.0000369600000000 ] - [ 0.0016758400000000, -0.0012856800000000, 0.0005928300000000 ] - [ -0.0101562500000000, -0.0001339600000000, 0.0014707800000000 ] - [ 0.0007910900000000, -0.0006696800000000, 0.0004789200000000 ] - [ 0.0002430800000000, -0.0007639900000000, -0.0001758500000000 ] - [ 0.0005386800000000, -0.0007532700000000, -0.0000838000000000 ] - [ 0.0014946700000000, -0.0033780300000000, 0.0000843700000000 ] - [ 0.0019141400000000, 0.0003164500000000, 0.0006727200000000 ] - [ -0.0015572100000000, -0.0002461500000000, 0.0003004000000000 ] - [ -0.0004290600000000, -0.0001156000000000, 0.0006382900000000 ] - [ -0.0010527300000000, -0.0006238400000000, -0.0003751100000000 ] - [ -0.0000823400000000, -0.0003424000000000, -0.0000362900000000 ] - [ 0.0002664700000000, 0.0008497800000000, 0.0002807900000000 ] - [ 0.0010188500000000, -0.0008647600000000, 0.0000485900000000 ] - [ 0.0009943000000000, -0.0019978800000000, -0.0001296200000000 ] - [ 0.0014412000000000, 0.0004305400000000, -0.0004582300000000 ] - [ 0.0000059400000000, -0.0000080500000000, 0.0000647800000000 ] - [ 0.0003068900000000, -0.0000417100000000, 0.0001323600000000 ] - [ -0.0008491500000000, -0.0004590300000000, -0.0000528000000000 ] - [ 0.0001023800000000, -0.0003678400000000, 0.0001641400000000 ] - [ -0.0014316200000000, -0.0007122000000000, -0.0005112200000000 ] - [ -0.0002621900000000, -0.0007454300000000, -0.0002504600000000 ] - [ -0.0008416500000000, -0.0003100600000000, -0.0001078000000000 ] - [ -0.0010000100000000, 0.0007577000000000, -0.0002788100000000 ] - [ -0.0070594400000000, 0.0035095200000000, 0.0038162700000000 ] - [ -0.0010817200000000, -0.0000877300000000, -0.0001952900000000 ] - [ -0.0032873100000000, 0.0046840300000000, 0.0072115600000000 ] - [ -0.0006542600000000, -0.0001152500000000, -0.0002829200000000 ] - [ -0.0001760000000000, -0.0001923000000000, 0.0002699900000000 ] - [ -0.0000257700000000, -0.0008783100000000, 0.0004166500000000 ] - [ -0.0000559700000000, -0.0001870100000000, -0.0000992200000000 ] - [ -0.0003128700000000, -0.0001863700000000, -0.0001448300000000 ] - [ 0.0014697600000000, -0.0004458900000000, 0.0011010800000000 ] - [ -0.0002778800000000, -0.0000900900000000, -0.0008612700000000 ] - [ -0.0004062100000000, 0.0006035400000000, -0.0002762700000000 ] - [ -0.0005193800000000, -0.0009396700000000, 0.0001260600000000 ] - [ -0.0002879100000000, -0.0006611600000000, -0.0001209200000000 ] - [ -0.0004711700000000, 0.0004879700000000, 0.0002322200000000 ] - [ 0.0022980900000000, 0.0004193300000000, 0.0007555300000000 ] - [ -0.0009382700000000, -0.0007120700000000, -0.0005020100000000 ] - [ 0.0008604900000000, -0.0001506400000000, 0.0001265300000000 ] - [ 0.0003082100000000, 0.0001502500000000, 0.0000094300000000 ] - [ 0.0003528600000000, 0.0000063600000000, -0.0000692500000000 ] - [ 0.0000080700000000, 0.0000094900000000, -0.0001818200000000 ] - [ -0.0002278700000000, 0.0003193700000000, 0.0002787900000000 ] - [ -0.0005549000000000, 0.0001315200000000, 0.0001865500000000 ] - [ 0.0004186800000000, -0.0001375000000000, 0.0001959900000000 ] - [ -0.0001347000000000, 0.0003899700000000, 0.0000596100000000 ] - [ 0.0020951800000000, -0.0020206100000000, -0.0020583700000000 ] - [ -0.0008354600000000, 0.0001227500000000, -0.0006435300000000 ] - [ 0.0005788300000000, -0.0007153300000000, -0.0000882800000000 ] - [ 0.0000013600000000, 0.0001233500000000, -0.0003438700000000 ] - [ 0.0003188500000000, -0.0002274200000000, 0.0001127400000000 ] - [ -0.0001170500000000, -0.0003460000000000, -0.0000640100000000 ] - [ -0.0011755800000000, 0.0003713300000000, -0.0003387700000000 ] - [ -0.0004298000000000, -0.0005723200000000, 0.0003009800000000 ] - [ -0.0006782800000000, 0.0004988400000000, 0.0005441700000000 ] - [ -0.0010947900000000, -0.0006148700000000, -0.0000386400000000 ] - [ -0.0015993600000000, 0.0031329200000000, -0.0056512200000000 ] - [ -0.0007267300000000, -0.0000141800000000, -0.0001053600000000 ] - [ 0.0004480300000000, -0.0007636600000000, 0.0003731000000000 ] - [ 0.0003595300000000, -0.0004315300000000, 0.0003252100000000 ] - [ -0.0010301000000000, -0.0045344800000000, 0.0053560900000000 ] - [ -0.0008084100000000, 0.0006332900000000, -0.0003602700000000 ] - [ 0.0001795700000000, -0.0001444200000000, -0.0001362100000000 ] - [ -0.0003607000000000, 0.0002918700000000, -0.0003331200000000 ] - [ -0.0008290600000000, -0.0003122500000000, 0.0003446200000000 ] - [ -0.0010569700000000, 0.0004993000000000, -0.0002562000000000 ] - [ -0.0001735100000000, 0.0003016500000000, -0.0000192000000000 ] - [ -0.0000815800000000, 0.0001454600000000, 0.0000287100000000 ] - [ 0.0009101000000000, 0.0002633300000000, -0.0000315200000000 ] - [ 0.0004921600000000, 0.0001755200000000, -0.0000922800000000 ] - [ -0.0002068700000000, -0.0000723300000000, 0.0006586600000000 ] - [ -0.0004149600000000, -0.0001226500000000, 0.0006190300000000 ] - [ 0.0002176700000000, 0.0001029400000000, 0.0000963200000000 ] - [ -0.0001213600000000, 0.0001022300000000, 0.0000195400000000 ] - [ 0.0000931000000000, 0.0004441700000000, 0.0001401000000000 ] - [ 0.0000952200000000, 0.0007167800000000, 0.0001757100000000 ] - [ -0.0008701400000000, 0.0007070100000000, -0.0003842300000000 ] - [ -0.0016102100000000, -0.0021983500000000, -0.0013536700000000 ] - [ 0.0000132100000000, 0.0001716400000000, -0.0006340300000000 ] - [ -0.0002428200000000, -0.0000052800000000, -0.0007178200000000 ] - [ -0.0001679200000000, -0.0007976700000000, -0.0003053500000000 ] - [ -0.0004678100000000, 0.0001080600000000, 0.0003161300000000 ] - [ -0.0001685100000000, 0.0010414400000000, 0.0002197500000000 ] - [ -0.0000201300000000, 0.0000162600000000, 0.0001671200000000 ] - [ 0.0009842700000000, -0.0002849600000000, -0.0002417900000000 ] - [ 0.0005136500000000, -0.0002453000000000, -0.0003222700000000 ] - [ -0.0007613800000000, -0.0007978700000000, -0.0001253400000000 ] - [ -0.0017372200000000, 0.0009022900000000, -0.0009078800000000 ] - [ 0.0368561200000000, -0.0051268700000000, -0.0218969300000000 ] - [ -0.0008940400000000, -0.0005120100000000, 0.0001409500000000 ] - [ 0.0003991100000000, -0.0004784600000000, -0.0001989200000000 ] - [ 0.0003032400000000, -0.0004904500000000, -0.0002391900000000 ] - [ 0.0003764900000000, 0.0000206200000000, 0.0003170200000000 ] - [ -0.0002581700000000, -0.0007032000000000, -0.0004793800000000 ] - [ -0.0000584300000000, 0.0007182800000000, 0.0002703100000000 ] - [ 0.0000742800000000, 0.0005675300000000, 0.0002843700000000 ] - [ 0.0006900900000000, 0.0006421700000000, 0.0000806200000000 ] - [ -0.0005442200000000, 0.0000921500000000, -0.0002760400000000 ] - [ -0.0001805300000000, -0.0001269600000000, 0.0001521900000000 ] - [ 0.0001007300000000, 0.0004694300000000, 0.0003351700000000 ] - [ 0.0008422900000000, 0.0010380000000000, -0.0007735300000000 ] - [ -0.0003049300000000, 0.0004570500000000, -0.0002473100000000 ] - [ -0.0000475500000000, -0.0001825500000000, 0.0001638700000000 ] - [ -0.0003371100000000, -0.0001499800000000, 0.0000696300000000 ] - [ 0.0005584300000000, 0.0001168200000000, 0.0000262100000000 ] - [ 0.0002049000000000, -0.0001348000000000, -0.0000471800000000 ] - [ 0.0003434600000000, 0.0006296800000000, 0.0003602100000000 ] - [ -0.0008053300000000, -0.0002732000000000, 0.0001606400000000 ] - [ -0.0013113600000000, -0.0061246900000000, 0.0051025300000000 ] - [ -0.0006315700000000, 0.0000512400000000, 0.0005127900000000 ] - [ 0.0004215300000000, 0.0001202600000000, -0.0000449200000000 ] - [ -0.0001226100000000, 0.0002197900000000, -0.0002412300000000 ] - [ 0.0022692100000000, 0.0020200300000000, -0.0035533300000000 ] - [ -0.0007517900000000, 0.0004437900000000, -0.0004345400000000 ] - [ 0.0003665600000000, 0.0002564800000000, 0.0004815000000000 ] - [ 0.0001008600000000, 0.0001213000000000, 0.0004176200000000 ]- atom: 117 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012756000000000, 0.0130164900000000, -0.0002014600000000 ] - [ -0.0002999400000000, 0.0009403900000000, -0.0003151500000000 ] - [ -0.0005728300000000, -0.0004150900000000, -0.0003001200000000 ] - [ 0.0011205200000000, -0.0010607000000000, -0.0003772400000000 ] - [ 0.0004250900000000, 0.0006955900000000, 0.0000904800000000 ] - [ 0.0000418000000000, 0.0012372800000000, -0.0000242800000000 ] - [ 0.0009638000000000, 0.0025564800000000, 0.0006861600000000 ] - [ -0.0011886900000000, 0.0042186200000000, 0.0006331400000000 ] - [ -0.0005455300000000, -0.0017682100000000, 0.0003375100000000 ] - [ -0.0004864000000000, -0.0007636100000000, 0.0003552000000000 ] - [ 0.0008765400000000, 0.0024354100000000, -0.0002540500000000 ] - [ 0.0006767900000000, 0.0031173500000000, -0.0005234900000000 ] - [ 0.0004386500000000, -0.0002774200000000, 0.0002268700000000 ] - [ -0.0007402000000000, -0.0004462200000000, -0.0000033500000000 ] - [ 0.0002700900000000, -0.0013642700000000, -0.0003057600000000 ] - [ 0.0002436700000000, -0.0004612100000000, -0.0003236700000000 ] - [ -0.0009015700000000, -0.0011945600000000, -0.0002284900000000 ] - [ 0.0001962500000000, 0.0004448900000000, 0.0002481100000000 ] - [ -0.0027720300000000, -0.0080467900000000, -0.0009815800000000 ] - [ 0.0000459500000000, 0.0006818300000000, -0.0002157100000000 ] - [ 0.0005222600000000, -0.0005240500000000, 0.0003222000000000 ] - [ -0.0003852900000000, -0.0010894300000000, -0.0000115900000000 ] - [ -0.0004466300000000, -0.0002374000000000, 0.0000879600000000 ] - [ 0.0008902900000000, -0.0008080100000000, 0.0009237200000000 ] - [ 0.0000220000000000, 0.0117118300000000, -0.0012846700000000 ] - [ -0.0001109600000000, 0.0008946000000000, -0.0001064300000000 ] - [ -0.0021208900000000, -0.0006466700000000, -0.0000656100000000 ] - [ 0.0019743300000000, 0.0001126400000000, 0.0006075000000000 ] - [ -0.0010206200000000, 0.0108303400000000, 0.0015384100000000 ] - [ -0.0003011100000000, 0.0001122900000000, 0.0001753500000000 ] - [ 0.0003318600000000, -0.0017091300000000, -0.0001317700000000 ] - [ 0.0004341400000000, -0.0016089100000000, -0.0001124500000000 ] - [ 0.0024715100000000, -0.0011405600000000, 0.0003287600000000 ] - [ -0.0006082300000000, -0.0006310500000000, 0.0000796100000000 ] - [ -0.0013048200000000, -0.0018393600000000, 0.0002253500000000 ] - [ -0.0006816000000000, -0.0004552400000000, 0.0005751300000000 ] - [ -0.0002002400000000, -0.0020634800000000, -0.0002190600000000 ] - [ -0.0005925500000000, -0.0007744100000000, -0.0001821800000000 ] - [ -0.0020975600000000, -0.0005159400000000, -0.0011538900000000 ] - [ 0.0010391200000000, 0.0001148000000000, 0.0000777900000000 ] - [ 0.0023951500000000, -0.0007995700000000, 0.0004074100000000 ] - [ 0.0001583100000000, 0.0002235600000000, -0.0007008800000000 ] - [ 0.0000888300000000, -0.0009850500000000, 0.0000739000000000 ] - [ 0.0001851200000000, -0.0009445700000000, 0.0001068900000000 ] - [ -0.0000802900000000, -0.0020554100000000, 0.0002465800000000 ] - [ -0.0003484800000000, -0.0007694100000000, 0.0000433100000000 ] - [ -0.0012266700000000, -0.0025181300000000, -0.0003228100000000 ] - [ -0.0004578800000000, -0.0011070900000000, -0.0003158600000000 ] - [ -0.0001265000000000, 0.0000472800000000, -0.0000101300000000 ] - [ -0.0032739500000000, 0.0016753700000000, -0.0009423000000000 ] - [ -0.0038592800000000, -0.0013919800000000, 0.0016172800000000 ] - [ 0.0001851400000000, -0.0007430500000000, 0.0002138500000000 ] - [ -0.0036115600000000, -0.0013968200000000, 0.0038543500000000 ] - [ -0.0000045700000000, -0.0003236500000000, -0.0000768100000000 ] - [ -0.0003764500000000, -0.0002773200000000, 0.0002039800000000 ] - [ 0.0005418600000000, -0.0002865700000000, 0.0005152800000000 ] - [ -0.0001071300000000, 0.0006782400000000, -0.0001564600000000 ] - [ -0.0001749000000000, 0.0001389700000000, -0.0001362200000000 ] - [ 0.0006022600000000, -0.0024693300000000, -0.0005547300000000 ] - [ 0.0002766400000000, -0.0005260200000000, -0.0006590200000000 ] - [ -0.0008836000000000, -0.0002370100000000, -0.0001837400000000 ] - [ 0.0004529100000000, -0.0005449200000000, -0.0000423200000000 ] - [ 0.0009302800000000, 0.0005805600000000, 0.0004622700000000 ] - [ -0.0006150400000000, 0.0000211600000000, 0.0002698000000000 ] - [ -0.0009306200000000, 0.0027936300000000, 0.0078577800000000 ] - [ -0.0005190000000000, -0.0009300300000000, -0.0004063100000000 ] - [ 0.0008394200000000, 0.0014308900000000, 0.0007458900000000 ] - [ 0.0004776800000000, 0.0001616200000000, 0.0000593800000000 ] - [ 0.0003071600000000, 0.0006718600000000, -0.0000896200000000 ] - [ 0.0001328400000000, 0.0003310700000000, -0.0001377400000000 ] - [ -0.0003924500000000, 0.0010435600000000, 0.0002342500000000 ] - [ -0.0002804400000000, 0.0004903400000000, 0.0002778200000000 ] - [ 0.0006149000000000, 0.0008541900000000, 0.0004240900000000 ] - [ -0.0001970100000000, 0.0003547800000000, 0.0000288100000000 ] - [ 0.0018230200000000, 0.0035037800000000, 0.0061658300000000 ] - [ -0.0004768100000000, -0.0002051300000000, -0.0005143200000000 ] - [ 0.0009339600000000, 0.0005505000000000, -0.0002796700000000 ] - [ -0.0001822800000000, 0.0001156700000000, -0.0004130600000000 ] - [ 0.0001268600000000, 0.0005678900000000, 0.0000140400000000 ] - [ -0.0000084500000000, -0.0001302100000000, -0.0000348100000000 ] - [ -0.0010162600000000, -0.0003510300000000, -0.0002824700000000 ] - [ 0.0006546000000000, -0.0009167800000000, 0.0002081200000000 ] - [ -0.0012440800000000, -0.0003569700000000, 0.0000747700000000 ] - [ -0.0003778200000000, -0.0005316500000000, 0.0005144700000000 ] - [ -0.0033610100000000, -0.0007097200000000, -0.0045904700000000 ] - [ 0.0001666600000000, -0.0004392000000000, -0.0000236800000000 ] - [ 0.0004997800000000, -0.0001542200000000, 0.0003644300000000 ] - [ 0.0002156600000000, 0.0001005800000000, 0.0002595500000000 ] - [ 0.0053466600000000, 0.0031005800000000, -0.0070086600000000 ] - [ -0.0002828800000000, 0.0002472100000000, -0.0001872800000000 ] - [ 0.0004941100000000, 0.0013953500000000, -0.0005520100000000 ] - [ -0.0002253200000000, 0.0002899000000000, -0.0002961300000000 ] - [ 0.0002977600000000, -0.0002014800000000, 0.0002817600000000 ] - [ -0.0010291700000000, -0.0001799800000000, -0.0002526200000000 ] - [ -0.0002317900000000, 0.0006356500000000, -0.0000575600000000 ] - [ -0.0001330900000000, 0.0008294500000000, -0.0000230300000000 ] - [ 0.0005707300000000, 0.0011342900000000, -0.0000897200000000 ] - [ 0.0007214100000000, 0.0004298400000000, -0.0000481000000000 ] - [ -0.0002734500000000, 0.0003872800000000, 0.0006468900000000 ] - [ -0.0002844100000000, 0.0002956200000000, 0.0006507000000000 ] - [ 0.0001950200000000, 0.0007612800000000, 0.0001032200000000 ] - [ 0.0000142300000000, 0.0004092200000000, 0.0000480100000000 ] - [ 0.0001894900000000, 0.0010090800000000, 0.0002006200000000 ] - [ -0.0000260000000000, 0.0012268500000000, 0.0001724400000000 ] - [ -0.0001946700000000, -0.0000916100000000, -0.0002944900000000 ] - [ 0.0034012800000000, -0.0001173100000000, 0.0007716600000000 ] - [ -0.0003500200000000, 0.0006694100000000, -0.0007138000000000 ] - [ 0.0000105500000000, 0.0004184600000000, -0.0006517900000000 ] - [ 0.0007475200000000, -0.0015431000000000, 0.0003000200000000 ] - [ -0.0002635000000000, -0.0011351700000000, -0.0000781300000000 ] - [ -0.0003772700000000, 0.0009108000000000, 0.0001882300000000 ] - [ 0.0006506100000000, 0.0011183100000000, 0.0003861000000000 ] - [ 0.0008637200000000, 0.0005685700000000, -0.0002314500000000 ] - [ 0.0005756200000000, -0.0000567600000000, -0.0003014700000000 ] - [ 0.0006584100000000, -0.0012259200000000, 0.0000007200000000 ] - [ -0.0015629400000000, -0.0016969000000000, -0.0004788100000000 ] - [ 0.0044632600000000, -0.0412042600000000, 0.0021923500000000 ] - [ -0.0003617600000000, -0.0009559000000000, 0.0002277900000000 ] - [ 0.0003953000000000, -0.0000086000000000, -0.0002069000000000 ] - [ 0.0003823700000000, 0.0000780300000000, -0.0002161100000000 ] - [ -0.0004113900000000, 0.0011003600000000, 0.0010309600000000 ] - [ 0.0000844700000000, -0.0006540400000000, -0.0003596200000000 ] - [ -0.0000929400000000, 0.0010310300000000, 0.0002774100000000 ] - [ 0.0000314900000000, 0.0012351800000000, 0.0002950000000000 ] - [ -0.0006778100000000, 0.0012224300000000, -0.0007962400000000 ] - [ 0.0000143500000000, 0.0002537000000000, -0.0000982200000000 ] - [ 0.0004857100000000, 0.0001579300000000, 0.0004085200000000 ] - [ -0.0005853300000000, 0.0003540000000000, 0.0000690700000000 ] - [ 0.0005438200000000, 0.0023673700000000, -0.0017839000000000 ] - [ -0.0000077200000000, 0.0005023800000000, -0.0002003600000000 ] - [ -0.0001664600000000, 0.0006895900000000, 0.0001683000000000 ] - [ -0.0002405300000000, 0.0001441200000000, 0.0001169100000000 ] - [ 0.0004156000000000, 0.0008149300000000, -0.0000189900000000 ] - [ 0.0005099200000000, 0.0002572900000000, 0.0000015000000000 ] - [ -0.0011884700000000, 0.0009173800000000, 0.0004590800000000 ] - [ -0.0001266200000000, -0.0000312900000000, 0.0002832400000000 ] - [ 0.0056965000000000, 0.0034574400000000, -0.0043669100000000 ] - [ -0.0002296300000000, -0.0003503100000000, 0.0005929700000000 ] - [ -0.0001381700000000, 0.0009148900000000, -0.0002211100000000 ] - [ 0.0001155600000000, 0.0003244400000000, -0.0001606300000000 ] - [ -0.0014588500000000, -0.0011717800000000, -0.0053087900000000 ] - [ -0.0001052200000000, 0.0001771600000000, -0.0002883900000000 ] - [ 0.0000050300000000, 0.0007714100000000, 0.0003618300000000 ] - [ 0.0003370400000000, 0.0005024400000000, 0.0004879400000000 ]- atom: 117 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005208700000000, -0.0114039400000000, -0.0004025900000000 ] - [ -0.0001036400000000, -0.0002974900000000, -0.0001969500000000 ] - [ 0.0007828400000000, 0.0011675700000000, 0.0000359600000000 ] - [ -0.0009012200000000, 0.0018048000000000, 0.0001070000000000 ] - [ -0.0003635400000000, 0.0007884500000000, -0.0002332300000000 ] - [ 0.0000243700000000, 0.0002230000000000, -0.0001173700000000 ] - [ -0.0013495800000000, -0.0019693100000000, 0.0000139500000000 ] - [ 0.0007602500000000, -0.0036379000000000, 0.0000619600000000 ] - [ -0.0005041900000000, 0.0017714400000000, 0.0003643500000000 ] - [ -0.0005605500000000, 0.0007679300000000, 0.0003473000000000 ] - [ 0.0001825600000000, -0.0024257100000000, -0.0004460500000000 ] - [ 0.0003590900000000, -0.0031146100000000, -0.0001837000000000 ] - [ -0.0005046800000000, 0.0017288900000000, -0.0000848700000000 ] - [ 0.0006810700000000, 0.0019009400000000, 0.0001461800000000 ] - [ 0.0001374800000000, 0.0019517800000000, -0.0003882500000000 ] - [ 0.0001660900000000, 0.0010502500000000, -0.0003695900000000 ] - [ 0.0006884900000000, 0.0019331000000000, 0.0004933900000000 ] - [ -0.0004044700000000, 0.0002992200000000, 0.0000166900000000 ] - [ 0.0024025700000000, 0.0090475000000000, 0.0004687200000000 ] - [ -0.0004189600000000, 0.0003378600000000, -0.0003002900000000 ] - [ -0.0001165300000000, 0.0011589300000000, 0.0001899700000000 ] - [ 0.0007953200000000, 0.0017284900000000, 0.0005260700000000 ] - [ 0.0008218100000000, 0.0012640700000000, 0.0004280700000000 ] - [ -0.0005093000000000, 0.0018275800000000, -0.0003985800000000 ] - [ -0.0003779900000000, -0.0116501100000000, 0.0011766100000000 ] - [ -0.0001905200000000, -0.0008165700000000, -0.0000784400000000 ] - [ 0.0030969300000000, -0.0000527500000000, 0.0004076000000000 ] - [ -0.0009837500000000, -0.0008109400000000, -0.0002627500000000 ] - [ 0.0002408500000000, -0.0122415500000000, -0.0013829900000000 ] - [ -0.0004682800000000, -0.0015037700000000, 0.0000823700000000 ] - [ 0.0004402400000000, 0.0003158200000000, -0.0001291600000000 ] - [ 0.0003423700000000, 0.0002152500000000, -0.0001473500000000 ] - [ -0.0010689600000000, -0.0002480200000000, 0.0003906500000000 ] - [ 0.0020160900000000, -0.0007439300000000, 0.0006393000000000 ] - [ -0.0004257900000000, 0.0016788400000000, 0.0008229400000000 ] - [ -0.0010406000000000, 0.0003001100000000, 0.0004782000000000 ] - [ -0.0007815900000000, 0.0013521500000000, -0.0001200200000000 ] - [ -0.0003836400000000, 0.0000607500000000, -0.0001556500000000 ] - [ 0.0026865100000000, -0.0001559000000000, 0.0010145600000000 ] - [ -0.0004474500000000, -0.0007912200000000, -0.0002180100000000 ] - [ -0.0006696300000000, 0.0006179100000000, -0.0014693900000000 ] - [ 0.0015696300000000, -0.0003919700000000, -0.0003582100000000 ] - [ 0.0002099600000000, 0.0010654700000000, 0.0001173900000000 ] - [ 0.0001179700000000, 0.0010222200000000, 0.0000849800000000 ] - [ -0.0005180300000000, 0.0013677800000000, -0.0001004600000000 ] - [ -0.0002449200000000, 0.0000784100000000, 0.0001066200000000 ] - [ -0.0001853400000000, 0.0011464200000000, -0.0004077900000000 ] - [ -0.0009453600000000, -0.0002621200000000, -0.0004106000000000 ] - [ -0.0009924000000000, 0.0000155900000000, -0.0001532500000000 ] - [ 0.0021177700000000, -0.0015910600000000, 0.0007664800000000 ] - [ 0.0035052100000000, 0.0013936200000000, -0.0013543900000000 ] - [ -0.0005213700000000, 0.0007124900000000, 0.0000435200000000 ] - [ 0.0038486300000000, 0.0017311300000000, -0.0038737600000000 ] - [ 0.0002327000000000, 0.0006954400000000, 0.0000549800000000 ] - [ 0.0003469700000000, -0.0009418500000000, 0.0005456900000000 ] - [ -0.0005730700000000, -0.0009336000000000, 0.0002334500000000 ] - [ -0.0002839200000000, -0.0011127800000000, -0.0000909900000000 ] - [ -0.0002172400000000, -0.0005728100000000, -0.0001118200000000 ] - [ 0.0000212500000000, 0.0022101100000000, -0.0007248200000000 ] - [ 0.0003481800000000, 0.0002699800000000, -0.0006196100000000 ] - [ 0.0007572200000000, -0.0004530200000000, 0.0001863100000000 ] - [ -0.0005807700000000, -0.0001487100000000, 0.0000446500000000 ] - [ -0.0011344200000000, -0.0002905300000000, -0.0001241100000000 ] - [ 0.0004065000000000, 0.0002700800000000, 0.0000702400000000 ] - [ 0.0000845000000000, -0.0040707000000000, -0.0086711800000000 ] - [ -0.0003380000000000, -0.0003368000000000, -0.0003158400000000 ] - [ 0.0002800500000000, -0.0013687000000000, -0.0005913800000000 ] - [ 0.0006405500000000, -0.0000939000000000, 0.0001039500000000 ] - [ 0.0000306600000000, -0.0007021800000000, -0.0001672100000000 ] - [ 0.0002015700000000, -0.0003620800000000, -0.0001198800000000 ] - [ -0.0003922700000000, -0.0006900600000000, 0.0002355700000000 ] - [ -0.0005053400000000, -0.0001389000000000, 0.0001922200000000 ] - [ -0.0003474800000000, -0.0004348400000000, -0.0001538300000000 ] - [ 0.0004597200000000, 0.0000655200000000, 0.0002389600000000 ] - [ -0.0022794300000000, -0.0031963700000000, -0.0069938600000000 ] - [ -0.0000028900000000, 0.0004942000000000, -0.0003885500000000 ] - [ -0.0002340100000000, -0.0007643500000000, -0.0001950500000000 ] - [ 0.0008733900000000, -0.0003269700000000, -0.0000637200000000 ] - [ 0.0000026200000000, -0.0012640500000000, -0.0000156600000000 ] - [ 0.0001344200000000, -0.0005672400000000, 0.0000321400000000 ] - [ 0.0002409400000000, 0.0002148300000000, 0.0003030100000000 ] - [ -0.0014259200000000, 0.0007810200000000, -0.0001855500000000 ] - [ -0.0001557200000000, -0.0002294000000000, 0.0004889500000000 ] - [ -0.0010223400000000, -0.0000593000000000, 0.0000489400000000 ] - [ 0.0032889300000000, 0.0009073700000000, 0.0044799400000000 ] - [ -0.0002343800000000, 0.0005947900000000, -0.0000841000000000 ] - [ 0.0003570600000000, -0.0011138700000000, 0.0003571900000000 ] - [ 0.0006388600000000, -0.0013653300000000, 0.0004613900000000 ] - [ -0.0056070200000000, -0.0020037800000000, 0.0067641100000000 ] - [ 0.0000675500000000, 0.0008451600000000, -0.0001285000000000 ] - [ -0.0006597900000000, -0.0010897400000000, 0.0000351000000000 ] - [ 0.0000628700000000, 0.0000203800000000, -0.0002274300000000 ] - [ -0.0016255800000000, 0.0005452000000000, -0.0001676600000000 ] - [ -0.0003003800000000, 0.0005238600000000, 0.0003641900000000 ] - [ 0.0000005500000000, -0.0002600600000000, 0.0000779900000000 ] - [ -0.0000993100000000, -0.0004542700000000, 0.0000430000000000 ] - [ 0.0007606500000000, -0.0007875000000000, -0.0000234400000000 ] - [ 0.0006067000000000, -0.0000803600000000, -0.0000658900000000 ] - [ -0.0003502800000000, -0.0006421700000000, 0.0006318200000000 ] - [ -0.0003420500000000, -0.0005508400000000, 0.0006273400000000 ] - [ -0.0001253600000000, -0.0006069900000000, 0.0000053300000000 ] - [ 0.0000522600000000, -0.0002558400000000, 0.0000594100000000 ] - [ 0.0000234400000000, 0.0000812500000000, 0.0001142200000000 ] - [ 0.0002375600000000, -0.0001343600000000, 0.0001423200000000 ] - [ 0.0009751600000000, 0.0004462300000000, -0.0001771700000000 ] - [ -0.0026264900000000, 0.0004801100000000, -0.0012465500000000 ] - [ 0.0001510500000000, -0.0006031900000000, -0.0006360000000000 ] - [ -0.0002131200000000, -0.0003518300000000, -0.0006984700000000 ] - [ -0.0003580900000000, 0.0011029000000000, -0.0000552100000000 ] - [ 0.0006593300000000, 0.0006975800000000, 0.0003269100000000 ] - [ 0.0004147100000000, 0.0001898700000000, 0.0002333800000000 ] - [ -0.0006179500000000, -0.0000194800000000, 0.0000344900000000 ] - [ 0.0005394100000000, -0.0011597700000000, -0.0003314700000000 ] - [ 0.0008230100000000, -0.0005364100000000, -0.0002623700000000 ] - [ -0.0002667600000000, 0.0008197200000000, -0.0002293100000000 ] - [ 0.0019582200000000, 0.0012796000000000, 0.0002503100000000 ] - [ -0.0047725000000000, 0.0391505000000000, -0.0016268500000000 ] - [ -0.0003471800000000, -0.0000826900000000, 0.0002096700000000 ] - [ 0.0003136000000000, -0.0010284700000000, -0.0002304100000000 ] - [ 0.0003247700000000, -0.0011149500000000, -0.0002219300000000 ] - [ 0.0004413700000000, -0.0023162700000000, -0.0017590200000000 ] - [ -0.0000544400000000, -0.0005704600000000, -0.0003905900000000 ] - [ 0.0001347500000000, 0.0001935500000000, 0.0002818900000000 ] - [ 0.0000092800000000, -0.0000110200000000, 0.0002642000000000 ] - [ 0.0004217200000000, -0.0007987400000000, 0.0005344800000000 ] - [ -0.0002774900000000, 0.0001695300000000, -0.0001715200000000 ] - [ -0.0003243700000000, 0.0001474900000000, 0.0001150000000000 ] - [ 0.0007465400000000, -0.0000508100000000, 0.0004542700000000 ] - [ -0.0005684700000000, -0.0012621200000000, 0.0013413600000000 ] - [ -0.0000303700000000, 0.0005932800000000, -0.0002209000000000 ] - [ -0.0002292100000000, -0.0010910300000000, 0.0000602800000000 ] - [ -0.0001561600000000, -0.0005445500000000, 0.0001115000000000 ] - [ 0.0003563200000000, -0.0009524500000000, -0.0000023700000000 ] - [ 0.0002609300000000, -0.0003976200000000, -0.0000235900000000 ] - [ 0.0005004900000000, -0.0011271600000000, 0.0000123000000000 ] - [ -0.0005714800000000, -0.0001781600000000, 0.0001911400000000 ] - [ -0.0054320900000000, -0.0033752400000000, 0.0056586300000000 ] - [ 0.0004292000000000, 0.0004138800000000, 0.0007570300000000 ] - [ 0.0003449900000000, -0.0006188200000000, -0.0001168200000000 ] - [ 0.0000885900000000, -0.0000277000000000, -0.0001777300000000 ] - [ 0.0014256500000000, 0.0023512700000000, 0.0047575800000000 ] - [ 0.0000604400000000, 0.0010448700000000, -0.0002714600000000 ] - [ 0.0004742300000000, -0.0004811600000000, 0.0005416100000000 ] - [ 0.0001390200000000, -0.0002121100000000, 0.0004142300000000 ]- atom: 117 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0022563900000000, 0.0002398400000000, 0.0073959400000000 ] - [ -0.0000030200000000, 0.0003587600000000, -0.0002053600000000 ] - [ 0.0000598600000000, 0.0003777600000000, 0.0000334300000000 ] - [ 0.0002207500000000, 0.0001920800000000, -0.0001015700000000 ] - [ 0.0012910400000000, 0.0007849400000000, -0.0049402900000000 ] - [ -0.0000986300000000, 0.0007120300000000, -0.0001130000000000 ] - [ -0.0007818900000000, 0.0002866200000000, 0.0024497000000000 ] - [ 0.0035658700000000, 0.0010267800000000, 0.0009964300000000 ] - [ -0.0005471800000000, -0.0000062700000000, 0.0004165100000000 ] - [ -0.0005108600000000, 0.0000080500000000, 0.0003550400000000 ] - [ 0.0011680400000000, 0.0000054200000000, -0.0026381300000000 ] - [ -0.0018887400000000, -0.0004964300000000, -0.0011248600000000 ] - [ -0.0000467400000000, 0.0007268400000000, 0.0002309800000000 ] - [ 0.0000151900000000, 0.0008427200000000, 0.0000911500000000 ] - [ 0.0002172400000000, 0.0002908200000000, -0.0004162200000000 ] - [ 0.0001987200000000, 0.0002986600000000, -0.0003492000000000 ] - [ 0.0005209900000000, 0.0004267900000000, -0.0034436400000000 ] - [ -0.0002560200000000, 0.0004743300000000, 0.0001020500000000 ] - [ -0.0017298200000000, 0.0001849800000000, 0.0047633600000000 ] - [ -0.0000082000000000, 0.0004393800000000, -0.0001956900000000 ] - [ 0.0002443800000000, 0.0003202500000000, 0.0001566100000000 ] - [ 0.0001181900000000, 0.0002426700000000, 0.0002250000000000 ] - [ 0.0002605100000000, 0.0005260900000000, 0.0000415300000000 ] - [ 0.0000901300000000, 0.0006316000000000, 0.0002346400000000 ] - [ -0.0128454800000000, 0.0006070400000000, 0.0297558300000000 ] - [ -0.0001267600000000, 0.0000083000000000, -0.0000505700000000 ] - [ 0.0024785800000000, 0.0009535100000000, 0.0005358200000000 ] - [ 0.0004461300000000, -0.0003940100000000, 0.0004592700000000 ] - [ -0.0043733200000000, -0.0002780800000000, 0.0374250000000000 ] - [ -0.0003334800000000, -0.0007301300000000, 0.0001020000000000 ] - [ 0.0003702100000000, -0.0006978600000000, -0.0001298800000000 ] - [ 0.0003883700000000, -0.0006943400000000, -0.0001432800000000 ] - [ 0.0018674900000000, -0.0023774500000000, 0.0004489500000000 ] - [ 0.0005584200000000, -0.0006919400000000, 0.0006350000000000 ] - [ -0.0008213800000000, -0.0004501100000000, 0.0005283100000000 ] - [ -0.0008564400000000, -0.0000748600000000, 0.0005237400000000 ] - [ -0.0005174900000000, -0.0007144800000000, -0.0002347200000000 ] - [ -0.0004841000000000, -0.0003409600000000, -0.0001707500000000 ] - [ -0.0015374800000000, -0.0015046800000000, -0.0007435100000000 ] - [ 0.0004069800000000, -0.0003928700000000, -0.0003923700000000 ] - [ -0.0001651700000000, 0.0017798900000000, -0.0011527300000000 ] - [ 0.0009431700000000, -0.0000459400000000, -0.0008130400000000 ] - [ 0.0001679600000000, 0.0000406300000000, 0.0001057400000000 ] - [ 0.0001452800000000, 0.0000404400000000, 0.0001086300000000 ] - [ -0.0002353200000000, -0.0000255400000000, 0.0000444300000000 ] - [ -0.0002929000000000, -0.0003287100000000, 0.0000797500000000 ] - [ -0.0007565900000000, -0.0003396900000000, -0.0003786100000000 ] - [ -0.0006999200000000, -0.0006797900000000, -0.0003595500000000 ] - [ -0.0006701300000000, -0.0000784500000000, -0.0001129400000000 ] - [ -0.0005086900000000, 0.0000309600000000, -0.0002169900000000 ] - [ -0.0064553500000000, 0.0026099400000000, 0.0008846400000000 ] - [ -0.0001773900000000, -0.0000451500000000, -0.0001805300000000 ] - [ -0.0076895400000000, 0.0062680400000000, 0.0067740600000000 ] - [ 0.0001552700000000, 0.0001850000000000, -0.0000922200000000 ] - [ 0.0000716600000000, -0.0007328300000000, 0.0004033200000000 ] - [ -0.0000089700000000, -0.0006196300000000, 0.0004815300000000 ] - [ -0.0001958900000000, -0.0002483800000000, -0.0001220700000000 ] - [ -0.0001971900000000, -0.0002223500000000, -0.0001271400000000 ] - [ -0.0010514400000000, -0.0001303100000000, 0.0046202100000000 ] - [ 0.0004267800000000, -0.0001268500000000, -0.0006032100000000 ] - [ 0.0001837100000000, -0.0003852000000000, -0.0007853900000000 ] - [ -0.0002829600000000, -0.0006124400000000, -0.0000839800000000 ] - [ 0.0001137100000000, 0.0001227100000000, -0.0006989400000000 ] - [ -0.0001989400000000, 0.0002315600000000, 0.0001331500000000 ] - [ -0.0002273900000000, 0.0079324500000000, 0.0072917900000000 ] - [ -0.0004436800000000, -0.0006311300000000, -0.0002995700000000 ] - [ 0.0006487300000000, 0.0002975400000000, 0.0001292500000000 ] - [ 0.0005394100000000, 0.0000304600000000, 0.0001184700000000 ] - [ 0.0001731900000000, -0.0000445400000000, -0.0001246700000000 ] - [ 0.0001680200000000, -0.0000185000000000, -0.0001297900000000 ] - [ -0.0003776600000000, 0.0001113500000000, 0.0002368300000000 ] - [ -0.0003978700000000, 0.0001713000000000, 0.0002388700000000 ] - [ 0.0002974100000000, 0.0006477800000000, 0.0002952600000000 ] - [ 0.0001294400000000, 0.0002045300000000, 0.0001716100000000 ] - [ 0.0021012900000000, 0.0069684300000000, 0.0039556700000000 ] - [ -0.0002710500000000, 0.0001613200000000, -0.0004302200000000 ] - [ 0.0001500300000000, -0.0005926700000000, -0.0001262600000000 ] - [ 0.0003657300000000, -0.0001165600000000, -0.0002689900000000 ] - [ 0.0000294600000000, -0.0003481100000000, 0.0001571400000000 ] - [ 0.0000710600000000, -0.0003486900000000, 0.0000014300000000 ] - [ 0.0003017100000000, -0.0002337700000000, 0.0003386400000000 ] - [ -0.0005723500000000, -0.0000127600000000, 0.0010785300000000 ] - [ -0.0010517000000000, -0.0003007800000000, 0.0014937100000000 ] - [ -0.0006275300000000, -0.0002022600000000, 0.0003200600000000 ] - [ 0.0058969300000000, -0.0037835900000000, 0.0047303500000000 ] - [ -0.0001983500000000, 0.0000561000000000, 0.0001274600000000 ] - [ 0.0004026700000000, -0.0006637000000000, 0.0003451900000000 ] - [ 0.0004354100000000, -0.0006301300000000, 0.0003273700000000 ] - [ -0.0065069700000000, -0.0082256400000000, 0.0064111000000000 ] - [ -0.0000967300000000, 0.0005501500000000, -0.0002221400000000 ] - [ -0.0001193400000000, -0.0000261200000000, -0.0002399600000000 ] - [ -0.0000809900000000, 0.0001491100000000, -0.0002995800000000 ] - [ -0.0010100900000000, 0.0001334000000000, 0.0012484300000000 ] - [ -0.0004865300000000, 0.0000732100000000, 0.0000950600000000 ] - [ -0.0001101600000000, 0.0001828900000000, 0.0000086100000000 ] - [ -0.0001171800000000, 0.0001826900000000, 0.0000333700000000 ] - [ 0.0007086100000000, 0.0001894000000000, -0.0002083300000000 ] - [ 0.0006559100000000, 0.0001693600000000, -0.0000595600000000 ] - [ -0.0003066700000000, -0.0001267300000000, 0.0006121100000000 ] - [ -0.0003164300000000, -0.0001331900000000, 0.0006384200000000 ] - [ 0.0000297700000000, 0.0001143400000000, 0.0000578400000000 ] - [ 0.0000335900000000, 0.0000738300000000, 0.0000560900000000 ] - [ 0.0001272100000000, 0.0005614600000000, 0.0001617300000000 ] - [ 0.0000993000000000, 0.0005491400000000, 0.0001874400000000 ] - [ -0.0003228800000000, 0.0003754800000000, -0.0003266900000000 ] - [ 0.0010835700000000, 0.0003878600000000, -0.0014215800000000 ] - [ -0.0001348300000000, 0.0001024100000000, -0.0006701700000000 ] - [ -0.0000915000000000, 0.0000289700000000, -0.0006843500000000 ] - [ 0.0009399100000000, -0.0001334300000000, 0.0004120600000000 ] - [ -0.0002317500000000, -0.0001377900000000, 0.0011689300000000 ] - [ -0.0000804400000000, 0.0006650600000000, 0.0001906700000000 ] - [ 0.0000764100000000, 0.0005665400000000, 0.0001151600000000 ] - [ 0.0007395500000000, -0.0002962600000000, -0.0004299300000000 ] - [ 0.0006905900000000, -0.0002946000000000, -0.0002847500000000 ] - [ -0.0004624700000000, -0.0003008400000000, -0.0002367000000000 ] - [ 0.0003809400000000, -0.0001026000000000, -0.0012397200000000 ] - [ 0.0302238100000000, 0.0001879300000000, -0.1199652100000000 ] - [ -0.0004165500000000, -0.0005084400000000, 0.0001967700000000 ] - [ 0.0003457900000000, -0.0005199300000000, -0.0001939400000000 ] - [ 0.0003601700000000, -0.0005146900000000, -0.0002166700000000 ] - [ -0.0001542400000000, -0.0002288900000000, -0.0006088100000000 ] - [ 0.0000171200000000, -0.0006153500000000, -0.0004031400000000 ] - [ 0.0000087500000000, 0.0006137800000000, 0.0002751800000000 ] - [ 0.0000319200000000, 0.0006084400000000, 0.0002586000000000 ] - [ -0.0000606800000000, -0.0005424800000000, -0.0002478900000000 ] - [ -0.0001661400000000, 0.0001934900000000, -0.0001270000000000 ] - [ 0.0001903800000000, 0.0002564300000000, 0.0002988900000000 ] - [ 0.0000200500000000, 0.0001318300000000, 0.0005543200000000 ] - [ 0.0002424500000000, 0.0001993100000000, -0.0003188800000000 ] - [ -0.0000321800000000, 0.0005436900000000, -0.0001829700000000 ] - [ -0.0001919700000000, -0.0001497500000000, 0.0001204600000000 ] - [ -0.0002020500000000, -0.0002043300000000, 0.0001167700000000 ] - [ 0.0003836400000000, 0.0000015700000000, -0.0000152800000000 ] - [ 0.0003838200000000, -0.0000734800000000, -0.0000175700000000 ] - [ -0.0004524400000000, 0.0006030500000000, 0.0000121800000000 ] - [ -0.0003714400000000, -0.0001234600000000, 0.0002051100000000 ] - [ -0.0048152400000000, -0.0072877800000000, 0.0037477400000000 ] - [ 0.0000879500000000, 0.0000447400000000, 0.0006376700000000 ] - [ 0.0000591600000000, 0.0001504700000000, 0.0000211300000000 ] - [ 0.0001170300000000, 0.0001267200000000, -0.0001626200000000 ] - [ 0.0042128900000000, -0.0054672600000000, 0.0097911900000000 ] - [ -0.0000391200000000, 0.0006141800000000, -0.0001834800000000 ] - [ 0.0002579900000000, 0.0000791400000000, 0.0004692900000000 ] - [ 0.0002410500000000, 0.0001391600000000, 0.0004651200000000 ]- atom: 117 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ 0.0018545900000000, 0.0003696000000000, -0.0079087300000000 ] - [ -0.0004052200000000, 0.0002784800000000, -0.0003067300000000 ] - [ 0.0001516000000000, 0.0003705300000000, -0.0002964700000000 ] - [ -0.0000125300000000, 0.0005579400000000, -0.0001574600000000 ] - [ -0.0012288000000000, 0.0006441500000000, 0.0047967300000000 ] - [ 0.0001607200000000, 0.0007420300000000, -0.0000299900000000 ] - [ 0.0003811200000000, 0.0002987900000000, -0.0017533700000000 ] - [ -0.0039746800000000, -0.0004375500000000, -0.0002775300000000 ] - [ -0.0005003000000000, 0.0000123200000000, 0.0002864900000000 ] - [ -0.0005371800000000, -0.0000032000000000, 0.0003478400000000 ] - [ -0.0001294200000000, -0.0000013600000000, 0.0019345800000000 ] - [ 0.0029451600000000, 0.0005037900000000, 0.0004075400000000 ] - [ -0.0000157000000000, 0.0007283400000000, -0.0000874500000000 ] - [ -0.0000775600000000, 0.0006129100000000, 0.0000540900000000 ] - [ 0.0001926700000000, 0.0002989200000000, -0.0002770100000000 ] - [ 0.0002108800000000, 0.0002902800000000, -0.0003439300000000 ] - [ -0.0007281400000000, 0.0003378600000000, 0.0037092800000000 ] - [ 0.0000446300000000, 0.0002745500000000, 0.0001621800000000 ] - [ 0.0013486100000000, 0.0007957000000000, -0.0052835500000000 ] - [ -0.0003688800000000, 0.0005845600000000, -0.0003202100000000 ] - [ 0.0001629100000000, 0.0003191100000000, 0.0003565100000000 ] - [ 0.0002904200000000, 0.0003964600000000, 0.0002870300000000 ] - [ 0.0001158800000000, 0.0004962300000000, 0.0004752100000000 ] - [ 0.0002867500000000, 0.0003938800000000, 0.0002777000000000 ] - [ 0.0139320900000000, -0.0005864700000000, -0.0326359300000000 ] - [ -0.0001768200000000, 0.0000647000000000, -0.0001341600000000 ] - [ -0.0015013800000000, -0.0016640700000000, -0.0001983400000000 ] - [ 0.0005284800000000, -0.0003126900000000, -0.0001166200000000 ] - [ 0.0034674800000000, -0.0010911900000000, -0.0340500400000000 ] - [ -0.0004370100000000, -0.0006634200000000, 0.0001565900000000 ] - [ 0.0004039500000000, -0.0006947000000000, -0.0001301600000000 ] - [ 0.0003850400000000, -0.0006988400000000, -0.0001172200000000 ] - [ -0.0004625300000000, 0.0010072100000000, 0.0002641600000000 ] - [ 0.0008406500000000, -0.0006836400000000, 0.0000833300000000 ] - [ -0.0009003300000000, 0.0002945900000000, 0.0005270600000000 ] - [ -0.0008675600000000, -0.0000822000000000, 0.0005288900000000 ] - [ -0.0004604500000000, 0.0000062400000000, -0.0001071500000000 ] - [ -0.0004947300000000, -0.0003684000000000, -0.0001692100000000 ] - [ 0.0021287900000000, 0.0008215500000000, 0.0006077400000000 ] - [ 0.0001896400000000, -0.0002930700000000, 0.0002528500000000 ] - [ 0.0018896300000000, -0.0019423300000000, 0.0000982900000000 ] - [ 0.0007861400000000, -0.0001179800000000, -0.0002444500000000 ] - [ 0.0001327700000000, 0.0000380300000000, 0.0000865400000000 ] - [ 0.0001547300000000, 0.0000375700000000, 0.0000823300000000 ] - [ -0.0003630000000000, -0.0006610200000000, 0.0001087500000000 ] - [ -0.0003043800000000, -0.0003582700000000, 0.0000721100000000 ] - [ -0.0006465000000000, -0.0010298600000000, -0.0003499000000000 ] - [ -0.0007057200000000, -0.0006897900000000, -0.0003679400000000 ] - [ -0.0004489300000000, 0.0001447100000000, -0.0000487400000000 ] - [ -0.0005964600000000, 0.0000250200000000, 0.0000593100000000 ] - [ 0.0061511100000000, -0.0026568400000000, -0.0006120100000000 ] - [ -0.0001560700000000, 0.0000122500000000, 0.0004379200000000 ] - [ 0.0078062000000000, -0.0058027600000000, -0.0067209100000000 ] - [ 0.0000769400000000, 0.0001894900000000, 0.0000715300000000 ] - [ -0.0001014100000000, -0.0004903000000000, 0.0003469900000000 ] - [ -0.0000232300000000, -0.0006045300000000, 0.0002686500000000 ] - [ -0.0001949300000000, -0.0001876000000000, -0.0001245900000000 ] - [ -0.0001936600000000, -0.0002130200000000, -0.0001192900000000 ] - [ 0.0016870300000000, -0.0001200000000000, -0.0058952500000000 ] - [ 0.0001992200000000, -0.0001289400000000, -0.0006737800000000 ] - [ -0.0003131900000000, -0.0003124600000000, 0.0007876100000000 ] - [ 0.0001543700000000, -0.0000851000000000, 0.0000832600000000 ] - [ -0.0003216300000000, 0.0001727100000000, 0.0010369200000000 ] - [ -0.0000062800000000, 0.0000652900000000, 0.0002024400000000 ] - [ -0.0006326500000000, -0.0093126000000000, -0.0080872800000000 ] - [ -0.0004108000000000, -0.0006386200000000, -0.0004212700000000 ] - [ 0.0004681400000000, -0.0002338500000000, 0.0000402300000000 ] - [ 0.0005801500000000, 0.0000351500000000, 0.0000451200000000 ] - [ 0.0001628300000000, 0.0000114100000000, -0.0001315200000000 ] - [ 0.0001685300000000, -0.0000145300000000, -0.0001265300000000 ] - [ -0.0004067200000000, 0.0002368900000000, 0.0002344200000000 ] - [ -0.0003860300000000, 0.0001786700000000, 0.0002321300000000 ] - [ -0.0000328400000000, -0.0002248000000000, -0.0000275100000000 ] - [ 0.0001352900000000, 0.0002174000000000, 0.0000970000000000 ] - [ -0.0025533200000000, -0.0066226900000000, -0.0048499400000000 ] - [ -0.0002064900000000, 0.0001311100000000, -0.0004726400000000 ] - [ 0.0005455600000000, 0.0003831400000000, -0.0003463400000000 ] - [ 0.0003325100000000, -0.0000955400000000, -0.0002035900000000 ] - [ 0.0000992600000000, -0.0003489900000000, -0.0001585900000000 ] - [ 0.0000580100000000, -0.0003487000000000, -0.0000024900000000 ] - [ -0.0010706800000000, 0.0000913600000000, -0.0003160800000000 ] - [ -0.0002050900000000, -0.0001292000000000, -0.0010562400000000 ] - [ -0.0003470000000000, -0.0002968000000000, -0.0009292400000000 ] - [ -0.0007734800000000, -0.0003932600000000, 0.0002464800000000 ] - [ -0.0059180000000000, 0.0039130000000000, -0.0048273300000000 ] - [ 0.0001294100000000, 0.0000969100000000, -0.0002344500000000 ] - [ 0.0004530900000000, -0.0006055800000000, 0.0003769400000000 ] - [ 0.0004210400000000, -0.0006406500000000, 0.0003946900000000 ] - [ 0.0062111600000000, 0.0091910800000000, -0.0066567200000000 ] - [ -0.0001156300000000, 0.0005395600000000, -0.0000922200000000 ] - [ -0.0000409100000000, 0.0003327600000000, -0.0002869100000000 ] - [ -0.0000805100000000, 0.0001593900000000, -0.0002223900000000 ] - [ -0.0003168500000000, 0.0002183200000000, -0.0011340300000000 ] - [ -0.0008435900000000, 0.0002770300000000, 0.0000223100000000 ] - [ -0.0001218200000000, 0.0001914800000000, 0.0000129200000000 ] - [ -0.0001149700000000, 0.0001912500000000, -0.0000118700000000 ] - [ 0.0006208500000000, 0.0001601100000000, 0.0000953900000000 ] - [ 0.0006737900000000, 0.0001798400000000, -0.0000535100000000 ] - [ -0.0003192200000000, -0.0001297000000000, 0.0006667000000000 ] - [ -0.0003090800000000, -0.0001233400000000, 0.0006403900000000 ] - [ 0.0000381900000000, 0.0000374300000000, 0.0000500400000000 ] - [ 0.0000345800000000, 0.0000778300000000, 0.0000520800000000 ] - [ 0.0000849900000000, 0.0005280800000000, 0.0001534400000000 ] - [ 0.0001130000000000, 0.0005397600000000, 0.0001278800000000 ] - [ 0.0011102500000000, -0.0000270400000000, -0.0001421800000000 ] - [ -0.0002804400000000, -0.0000263700000000, 0.0009590700000000 ] - [ -0.0000660300000000, -0.0000369000000000, -0.0006799900000000 ] - [ -0.0001094500000000, 0.0000369500000000, -0.0006660000000000 ] - [ -0.0005476800000000, -0.0003013000000000, -0.0001675600000000 ] - [ 0.0006169500000000, -0.0002979200000000, -0.0009231900000000 ] - [ 0.0001170300000000, 0.0004314100000000, 0.0002313800000000 ] - [ -0.0000391700000000, 0.0005332100000000, 0.0003066900000000 ] - [ 0.0006610700000000, -0.0003006600000000, -0.0001328000000000 ] - [ 0.0007110700000000, -0.0003008200000000, -0.0002779500000000 ] - [ 0.0008569800000000, -0.0000995800000000, 0.0000106900000000 ] - [ 0.0000289600000000, -0.0003005300000000, 0.0010142200000000 ] - [ -0.0321203700000000, -0.0011441700000000, 0.1199081600000000 ] - [ -0.0002894300000000, -0.0005295100000000, 0.0002415400000000 ] - [ 0.0003610800000000, -0.0005181700000000, -0.0002434000000000 ] - [ 0.0003468200000000, -0.0005238600000000, -0.0002206600000000 ] - [ 0.0001874800000000, -0.0009964000000000, -0.0001532500000000 ] - [ 0.0000146000000000, -0.0006068600000000, -0.0003464300000000 ] - [ 0.0000321600000000, 0.0006096300000000, 0.0002839500000000 ] - [ 0.0000090700000000, 0.0006146900000000, 0.0003005100000000 ] - [ -0.0002010500000000, 0.0009638900000000, -0.0000237300000000 ] - [ -0.0000962300000000, 0.0002278700000000, -0.0001408500000000 ] - [ -0.0000287000000000, 0.0000524800000000, 0.0002241300000000 ] - [ 0.0001390500000000, 0.0001805800000000, -0.0000313100000000 ] - [ -0.0002844100000000, 0.0008952100000000, -0.0000877900000000 ] - [ -0.0000031500000000, 0.0005543100000000, -0.0002367300000000 ] - [ -0.0002030500000000, -0.0002520300000000, 0.0001089500000000 ] - [ -0.0001929200000000, -0.0001970000000000, 0.0001122200000000 ] - [ 0.0003888300000000, -0.0001444400000000, -0.0000061900000000 ] - [ 0.0003888300000000, -0.0000685700000000, -0.0000034400000000 ] - [ -0.0002449600000000, -0.0008149400000000, 0.0004654600000000 ] - [ -0.0003242500000000, -0.0000876500000000, 0.0002689400000000 ] - [ 0.0050549100000000, 0.0074206600000000, -0.0023953800000000 ] - [ 0.0001157900000000, 0.0000216200000000, 0.0007150000000000 ] - [ 0.0001490500000000, 0.0001433700000000, -0.0003579400000000 ] - [ 0.0000900900000000, 0.0001694400000000, -0.0001741700000000 ] - [ -0.0043328400000000, 0.0067835100000000, -0.0104791900000000 ] - [ -0.0000003200000000, 0.0006103400000000, -0.0003739500000000 ] - [ 0.0002188200000000, 0.0002106100000000, 0.0004345200000000 ] - [ 0.0002353200000000, 0.0001506500000000, 0.0004388800000000 ]- atom: 123 displacement: [ 0.0099999979091808, 0.0000000000000000, -0.0000064665584951 ] forces: - [ -0.0005578800000000, 0.0002697100000000, -0.0003281100000000 ] - [ 0.0002153100000000, 0.0007288300000000, -0.0001733000000000 ] - [ 0.0018676500000000, -0.0001462700000000, 0.0007390100000000 ] - [ -0.0010107000000000, 0.0005463300000000, -0.0004671100000000 ] - [ -0.0002625100000000, 0.0005768000000000, -0.0001802200000000 ] - [ 0.0003211200000000, 0.0012246400000000, 0.0000393600000000 ] - [ 0.0003116000000000, 0.0006564300000000, 0.0004987900000000 ] - [ -0.0006235100000000, 0.0003107700000000, 0.0002358400000000 ] - [ -0.0033980900000000, -0.0007115000000000, 0.0001325100000000 ] - [ 0.0053877200000000, 0.0008050800000000, 0.0002987400000000 ] - [ 0.0009129500000000, 0.0002532100000000, -0.0002575200000000 ] - [ 0.0001626500000000, 0.0000452800000000, -0.0004456700000000 ] - [ 0.0090548500000000, 0.0001980200000000, 0.0006359000000000 ] - [ -0.0019640600000000, 0.0000664700000000, -0.0004273100000000 ] - [ -0.0015313900000000, -0.0001533900000000, -0.0012280600000000 ] - [ 0.0021284300000000, 0.0016351300000000, 0.0006052000000000 ] - [ -0.0010085400000000, 0.0010044500000000, -0.0002208200000000 ] - [ 0.0009549400000000, -0.0003658900000000, 0.0006242700000000 ] - [ -0.0011450200000000, 0.0011747600000000, -0.0003643200000000 ] - [ 0.0007590900000000, -0.0007687000000000, -0.0001906700000000 ] - [ 0.0080344800000000, 0.0001515500000000, 0.0019152100000000 ] - [ -0.0016536900000000, 0.0000088300000000, -0.0002397200000000 ] - [ 0.0021777500000000, 0.0001521500000000, 0.0003742300000000 ] - [ -0.0009381400000000, 0.0006581100000000, -0.0000147400000000 ] - [ -0.0002720900000000, 0.0002794300000000, -0.0001329800000000 ] - [ -0.0000928500000000, -0.0000052700000000, -0.0000718200000000 ] - [ 0.0007821300000000, -0.0005625900000000, 0.0002721100000000 ] - [ 0.0001438400000000, -0.0000223200000000, 0.0000877100000000 ] - [ -0.0005172300000000, -0.0005022400000000, 0.0001044300000000 ] - [ -0.0003005700000000, -0.0006961100000000, 0.0001391300000000 ] - [ 0.0013881000000000, -0.0015182200000000, 0.0022493800000000 ] - [ -0.0013708700000000, -0.0006416400000000, -0.0011878800000000 ] - [ 0.0012851900000000, 0.0003844900000000, 0.0002698900000000 ] - [ 0.0000796100000000, -0.0010633600000000, 0.0002520900000000 ] - [ -0.0013337900000000, -0.0009319800000000, 0.0005411800000000 ] - [ -0.0008484800000000, 0.0014427600000000, -0.0001328200000000 ] - [ -0.0041281800000000, 0.0018629700000000, -0.0009889400000000 ] - [ -0.0023010300000000, -0.0029502600000000, 0.0006622400000000 ] - [ 0.0005758300000000, -0.0004581400000000, -0.0000021900000000 ] - [ -0.0000298800000000, -0.0000213700000000, -0.0001725500000000 ] - [ 0.0011188300000000, 0.0007165400000000, -0.0002302800000000 ] - [ 0.0002913600000000, -0.0004300700000000, -0.0007259400000000 ] - [ 0.0198960900000000, 0.0045967600000000, 0.0033522000000000 ] - [ -0.0019752900000000, 0.0000599000000000, 0.0001069900000000 ] - [ -0.0013672500000000, 0.0002721900000000, 0.0000433800000000 ] - [ -0.0009153800000000, -0.0028990800000000, -0.0015090800000000 ] - [ -0.0013635800000000, -0.0019277200000000, -0.0006197600000000 ] - [ -0.0010718700000000, 0.0009702200000000, 0.0002155100000000 ] - [ -0.0009816100000000, 0.0001818500000000, -0.0001873100000000 ] - [ -0.0002430000000000, -0.0000679200000000, 0.0000050000000000 ] - [ -0.0002538400000000, -0.0002689800000000, 0.0001253700000000 ] - [ -0.0000393900000000, 0.0000605700000000, 0.0001687200000000 ] - [ 0.0002738100000000, 0.0001745700000000, 0.0000369700000000 ] - [ -0.0000863100000000, 0.0000614500000000, -0.0000782700000000 ] - [ -0.0005386700000000, -0.0014098900000000, -0.0013151900000000 ] - [ 0.0004983700000000, -0.0004380800000000, 0.0005862600000000 ] - [ 0.0004984600000000, -0.0001241700000000, -0.0001375300000000 ] - [ 0.0008179500000000, 0.0004057800000000, 0.0050065800000000 ] - [ 0.0003406700000000, -0.0002179600000000, -0.0006219700000000 ] - [ 0.0003184800000000, -0.0001415400000000, -0.0006462600000000 ] - [ -0.0003324800000000, -0.0011569200000000, -0.0001078200000000 ] - [ 0.0002152600000000, -0.0001792900000000, 0.0000926600000000 ] - [ -0.0002608800000000, 0.0001866500000000, 0.0001045400000000 ] - [ 0.0000949700000000, 0.0000132000000000, 0.0002223800000000 ] - [ -0.0002855100000000, -0.0008842700000000, -0.0002995500000000 ] - [ -0.0005162200000000, -0.0004016500000000, -0.0004261200000000 ] - [ 0.0013643200000000, -0.0002061400000000, 0.0003142900000000 ] - [ -0.0001857000000000, 0.0012412000000000, -0.0006286400000000 ] - [ 0.0016525500000000, 0.0015327300000000, 0.0007941100000000 ] - [ 0.0012734800000000, -0.0007178200000000, -0.0008477400000000 ] - [ 0.0004610400000000, 0.0005783400000000, 0.0005229300000000 ] - [ -0.0012785200000000, -0.0017993200000000, -0.0012345800000000 ] - [ -0.0000846300000000, 0.0005194800000000, 0.0000215100000000 ] - [ 0.0005009500000000, -0.0001956300000000, 0.0003517500000000 ] - [ -0.0002204000000000, 0.0001569600000000, -0.0004427700000000 ] - [ -0.0002417900000000, 0.0000089000000000, -0.0004530500000000 ] - [ 0.0001693300000000, 0.0003559800000000, -0.0001850400000000 ] - [ 0.0007461800000000, -0.0005207200000000, -0.0002482500000000 ] - [ 0.0003150700000000, 0.0000581300000000, 0.0001682600000000 ] - [ 0.0000376600000000, -0.0010199900000000, -0.0000531000000000 ] - [ -0.0007880400000000, -0.0001795200000000, -0.0001268600000000 ] - [ -0.0000496000000000, -0.0001368300000000, 0.0000926900000000 ] - [ -0.0008785900000000, -0.0006570300000000, 0.0002931100000000 ] - [ -0.0004852200000000, -0.0001194600000000, 0.0003281500000000 ] - [ -0.0000681000000000, -0.0001597500000000, -0.0000833500000000 ] - [ 0.0000744400000000, 0.0001697300000000, -0.0000277500000000 ] - [ -0.0013450700000000, 0.0029743100000000, 0.0005375100000000 ] - [ 0.0011179300000000, -0.0009302000000000, 0.0004770900000000 ] - [ 0.0000832700000000, 0.0003435700000000, -0.0001097900000000 ] - [ -0.0003282900000000, 0.0007266600000000, -0.0001971700000000 ] - [ 0.0007022500000000, 0.0000553200000000, -0.0000721800000000 ] - [ -0.0019778100000000, 0.0009838600000000, -0.0000557900000000 ] - [ -0.0007823100000000, 0.0002315000000000, 0.0000420600000000 ] - [ -0.0005312700000000, 0.0000238100000000, 0.0000897500000000 ] - [ -0.0022118100000000, 0.0006439900000000, -0.0019933700000000 ] - [ 0.0008492800000000, 0.0001506500000000, 0.0004282500000000 ] - [ 0.0019751400000000, -0.0003485100000000, -0.0005001300000000 ] - [ 0.0026247200000000, 0.0022106300000000, 0.0005690000000000 ] - [ 0.0069065100000000, 0.0028030000000000, -0.0043570200000000 ] - [ 0.0016285700000000, 0.0001189500000000, 0.0011873900000000 ] - [ 0.0006996600000000, 0.0008406700000000, -0.0002080600000000 ] - [ 0.0005982200000000, -0.0005171500000000, 0.0008668100000000 ] - [ -0.0012680400000000, 0.0011683600000000, -0.0003961200000000 ] - [ 0.0008750700000000, 0.0004189200000000, 0.0004225800000000 ] - [ -0.0000828000000000, 0.0000515900000000, -0.0003252700000000 ] - [ 0.0007452300000000, 0.0001159900000000, -0.0001390700000000 ] - [ 0.0150570000000000, -0.0077919200000000, 0.0078075800000000 ] - [ 0.0011046600000000, 0.0002849500000000, -0.0006826900000000 ] - [ 0.0000714000000000, -0.0002773400000000, 0.0000886600000000 ] - [ 0.0003324800000000, -0.0002952900000000, 0.0001499200000000 ] - [ -0.0017756300000000, -0.0005025600000000, 0.0007019700000000 ] - [ 0.0005395000000000, 0.0007103100000000, 0.0002583700000000 ] - [ 0.0010212200000000, 0.0003265500000000, -0.0003420200000000 ] - [ 0.0012035900000000, -0.0021373200000000, -0.0000921200000000 ] - [ 0.0000025500000000, -0.0002657200000000, -0.0001624800000000 ] - [ 0.0003722700000000, -0.0002593200000000, -0.0000624700000000 ] - [ -0.0002744900000000, -0.0006338300000000, 0.0002271600000000 ] - [ -0.0004073800000000, -0.0005090200000000, 0.0002158800000000 ] - [ -0.0019075200000000, 0.0009305300000000, 0.0036186700000000 ] - [ 0.0010860700000000, -0.0004361300000000, -0.0000444400000000 ] - [ 0.0003036600000000, -0.0004433300000000, -0.0003013300000000 ] - [ -0.0003803700000000, -0.0011105800000000, -0.0004348400000000 ] - [ -0.0630858900000000, -0.0011079600000000, -0.0116146100000000 ] - [ 0.0012111500000000, 0.0005681800000000, 0.0004307800000000 ] - [ 0.0000657800000000, -0.0002996800000000, -0.0001632900000000 ] - [ 0.0000020000000000, 0.0008651100000000, 0.0000318700000000 ] - [ -0.0003179100000000, 0.0002192800000000, 0.0001412900000000 ] - [ 0.0004198200000000, 0.0000739200000000, 0.0003559500000000 ] - [ 0.0002325100000000, 0.0007732100000000, -0.0001428500000000 ] - [ -0.0002881200000000, -0.0000343000000000, -0.0003262500000000 ] - [ 0.0012581200000000, -0.0000495900000000, 0.0006012600000000 ] - [ 0.0038382200000000, 0.0009809700000000, -0.0049329900000000 ] - [ 0.0010919400000000, 0.0003006200000000, 0.0000644600000000 ] - [ -0.0011958000000000, -0.0019453000000000, 0.0008642400000000 ] - [ -0.0000574000000000, -0.0012346000000000, 0.0002191200000000 ] - [ 0.0000055800000000, 0.0006303300000000, 0.0002024400000000 ] - [ 0.0001244500000000, 0.0000515800000000, 0.0006742600000000 ] - [ 0.0001029300000000, -0.0001007600000000, 0.0006782700000000 ] - [ 0.0007916300000000, -0.0006545300000000, 0.0007431300000000 ] - [ 0.0001741500000000, 0.0011002100000000, -0.0002959800000000 ] - [ 0.0001558600000000, 0.0005881900000000, -0.0002371700000000 ] - [ -0.0002309300000000, 0.0005119200000000, -0.0003262200000000 ] - [ 0.0001519600000000, -0.0002862000000000, -0.0003857500000000 ] - [ 0.0012203200000000, 0.0004151200000000, 0.0010381200000000 ]- atom: 123 displacement: [ -0.0099999979091808, 0.0000000000000000, 0.0000064665584951 ] forces: - [ 0.0001464500000000, 0.0003709300000000, -0.0001855800000000 ] - [ -0.0006195100000000, -0.0000866700000000, -0.0003388000000000 ] - [ -0.0016533200000000, 0.0008852300000000, -0.0009944200000000 ] - [ 0.0012138500000000, 0.0002060500000000, 0.0002009700000000 ] - [ 0.0003215200000000, 0.0008796100000000, 0.0000360800000000 ] - [ -0.0002554800000000, 0.0002341200000000, -0.0001811800000000 ] - [ -0.0007211700000000, -0.0000634600000000, 0.0001954500000000 ] - [ 0.0002119800000000, 0.0002777900000000, 0.0004572600000000 ] - [ 0.0023479500000000, 0.0007163600000000, 0.0005672600000000 ] - [ -0.0058311100000000, -0.0010881400000000, 0.0005063000000000 ] - [ 0.0001345700000000, -0.0002442100000000, -0.0004450900000000 ] - [ 0.0008840800000000, -0.0000396500000000, -0.0002567500000000 ] - [ -0.0092449800000000, 0.0014498400000000, -0.0003211100000000 ] - [ 0.0018920600000000, 0.0013797300000000, 0.0005675900000000 ] - [ 0.0019316600000000, 0.0007416400000000, 0.0005333000000000 ] - [ -0.0016962500000000, -0.0010506300000000, -0.0012812500000000 ] - [ 0.0007927900000000, -0.0002586400000000, 0.0004834500000000 ] - [ -0.0011561300000000, 0.0011167500000000, -0.0003573000000000 ] - [ 0.0007625100000000, -0.0001526500000000, -0.0001538800000000 ] - [ -0.0011226800000000, 0.0017936700000000, -0.0003231500000000 ] - [ -0.0076009400000000, 0.0005018200000000, -0.0014257500000000 ] - [ 0.0020556000000000, 0.0006243400000000, 0.0007514600000000 ] - [ -0.0017916500000000, 0.0008587100000000, 0.0001371800000000 ] - [ 0.0013087000000000, 0.0003689800000000, 0.0005300700000000 ] - [ -0.0000343700000000, -0.0002009500000000, -0.0000540900000000 ] - [ -0.0002086100000000, 0.0000843200000000, -0.0001140100000000 ] - [ 0.0001965500000000, -0.0001468600000000, 0.0000717500000000 ] - [ 0.0008348700000000, -0.0006818100000000, 0.0002569100000000 ] - [ -0.0002578500000000, -0.0008898000000000, 0.0001522600000000 ] - [ -0.0004689700000000, -0.0006945600000000, 0.0001192000000000 ] - [ -0.0006236200000000, 0.0001160400000000, -0.0025398700000000 ] - [ 0.0021359200000000, -0.0007531100000000, 0.0009169900000000 ] - [ 0.0001078700000000, -0.0017436100000000, 0.0004474400000000 ] - [ 0.0013230700000000, -0.0003098700000000, 0.0004686900000000 ] - [ -0.0003958500000000, 0.0007742400000000, 0.0005089700000000 ] - [ -0.0008677600000000, -0.0015891100000000, 0.0011774900000000 ] - [ 0.0031516600000000, -0.0025882200000000, 0.0006488600000000 ] - [ 0.0013199100000000, 0.0022163400000000, -0.0009943000000000 ] - [ 0.0000160500000000, -0.0002241200000000, -0.0001397300000000 ] - [ 0.0006221900000000, -0.0006567500000000, 0.0000302700000000 ] - [ 0.0006005100000000, -0.0008736800000000, -0.0008307700000000 ] - [ 0.0014347000000000, 0.0002624000000000, -0.0003331900000000 ] - [ -0.0207919400000000, -0.0054025200000000, -0.0036903000000000 ] - [ 0.0022607100000000, 0.0000151400000000, 0.0000867200000000 ] - [ 0.0007573300000000, -0.0009598300000000, 0.0001042800000000 ] - [ 0.0003301500000000, 0.0021970500000000, 0.0016528100000000 ] - [ -0.0000476300000000, 0.0005553400000000, -0.0001077600000000 ] - [ -0.0003315600000000, -0.0023262500000000, -0.0009340200000000 ] - [ -0.0001415300000000, -0.0001135000000000, 0.0000238600000000 ] - [ -0.0008759700000000, 0.0001317400000000, -0.0001675200000000 ] - [ -0.0000816500000000, 0.0002328200000000, 0.0001316200000000 ] - [ -0.0002985200000000, -0.0000941500000000, 0.0000876300000000 ] - [ -0.0000416800000000, 0.0001991300000000, -0.0000585800000000 ] - [ 0.0003159200000000, 0.0003110100000000, 0.0000558200000000 ] - [ 0.0005022900000000, 0.0001718400000000, 0.0020809500000000 ] - [ -0.0005291600000000, -0.0007817100000000, 0.0001643100000000 ] - [ -0.0008864400000000, -0.0003095300000000, -0.0001078200000000 ] - [ -0.0012243600000000, -0.0008314500000000, -0.0052089300000000 ] - [ 0.0002860400000000, -0.0000394300000000, -0.0006561000000000 ] - [ 0.0003058800000000, -0.0001159100000000, -0.0006324200000000 ] - [ 0.0002041800000000, 0.0004536500000000, 0.0001085500000000 ] - [ -0.0003452500000000, -0.0005168700000000, -0.0000909200000000 ] - [ 0.0000532000000000, 0.0001108100000000, 0.0002325700000000 ] - [ -0.0003026200000000, 0.0002813100000000, 0.0001150900000000 ] - [ -0.0005691400000000, -0.0003867300000000, -0.0004218300000000 ] - [ -0.0003418900000000, -0.0008709800000000, -0.0002964700000000 ] - [ -0.0002434600000000, 0.0002742800000000, -0.0001511200000000 ] - [ 0.0012877100000000, -0.0011747400000000, 0.0007862600000000 ] - [ -0.0013126000000000, -0.0015689000000000, -0.0010537200000000 ] - [ -0.0009315700000000, 0.0006790200000000, 0.0005781400000000 ] - [ -0.0012428600000000, -0.0002301500000000, -0.0000521400000000 ] - [ 0.0004777900000000, 0.0021387300000000, 0.0016912800000000 ] - [ 0.0003494600000000, -0.0000971000000000, 0.0002464100000000 ] - [ -0.0002363700000000, 0.0006132500000000, -0.0000833000000000 ] - [ -0.0002559400000000, 0.0001346000000000, -0.0004608200000000 ] - [ -0.0002372500000000, 0.0002815700000000, -0.0004511700000000 ] - [ 0.0005284300000000, -0.0005646500000000, -0.0002874600000000 ] - [ -0.0000497900000000, 0.0003054700000000, -0.0002263800000000 ] - [ -0.0001840700000000, -0.0007561800000000, -0.0001698800000000 ] - [ 0.0000877100000000, 0.0003192300000000, 0.0000492400000000 ] - [ 0.0000142800000000, 0.0000335900000000, 0.0001484500000000 ] - [ -0.0007224600000000, -0.0000053800000000, -0.0000704200000000 ] - [ -0.0005212400000000, 0.0000564800000000, 0.0002717000000000 ] - [ -0.0009174500000000, -0.0004760000000000, 0.0002346200000000 ] - [ 0.0000009000000000, 0.0003097500000000, -0.0000233700000000 ] - [ -0.0001443000000000, -0.0000172700000000, -0.0000797000000000 ] - [ 0.0022167100000000, -0.0042039600000000, 0.0001827200000000 ] - [ -0.0002591800000000, -0.0003434400000000, 0.0002442100000000 ] - [ -0.0002951100000000, 0.0007449200000000, -0.0002049800000000 ] - [ 0.0001129400000000, 0.0003601100000000, -0.0001183900000000 ] - [ -0.0008609300000000, 0.0002551600000000, -0.0004492900000000 ] - [ 0.0018017600000000, -0.0006795300000000, -0.0004733600000000 ] - [ -0.0005482000000000, 0.0001185400000000, 0.0000715400000000 ] - [ -0.0007993500000000, 0.0003242100000000, 0.0000234800000000 ] - [ 0.0019719900000000, -0.0002609800000000, 0.0020090300000000 ] - [ -0.0010786500000000, 0.0002250300000000, -0.0004052800000000 ] - [ -0.0006447700000000, 0.0007015600000000, 0.0003914000000000 ] - [ -0.0012825800000000, -0.0018376500000000, -0.0006765900000000 ] - [ -0.0076299400000000, -0.0031038000000000, 0.0057011800000000 ] - [ -0.0022377600000000, -0.0003705000000000, 0.0000964400000000 ] - [ -0.0006277800000000, -0.0006874700000000, 0.0003226700000000 ] - [ -0.0005324200000000, 0.0006648100000000, -0.0007502400000000 ] - [ 0.0014738200000000, -0.0000739100000000, 0.0007119200000000 ] - [ -0.0006601900000000, 0.0006679700000000, -0.0001062800000000 ] - [ 0.0008651900000000, 0.0002915800000000, -0.0001462100000000 ] - [ 0.0000398500000000, 0.0002325800000000, -0.0003318800000000 ] - [ -0.0155328100000000, 0.0080072100000000, -0.0093445600000000 ] - [ -0.0013029100000000, -0.0002138400000000, -0.0006708700000000 ] - [ 0.0003186500000000, -0.0001593000000000, 0.0001576600000000 ] - [ 0.0000576100000000, -0.0001411800000000, 0.0000963000000000 ] - [ 0.0018233700000000, 0.0015647700000000, -0.0002795200000000 ] - [ -0.0005033500000000, 0.0003903300000000, 0.0001621600000000 ] - [ 0.0003814700000000, -0.0009238500000000, -0.0002208300000000 ] - [ 0.0001996700000000, 0.0015164800000000, -0.0004693400000000 ] - [ 0.0003897900000000, -0.0001361000000000, -0.0000663100000000 ] - [ 0.0000214300000000, -0.0001425100000000, -0.0001661100000000 ] - [ -0.0004316400000000, -0.0004053900000000, 0.0002110000000000 ] - [ -0.0003009300000000, -0.0005308300000000, 0.0002217900000000 ] - [ 0.0026437600000000, -0.0019459200000000, -0.0040003300000000 ] - [ -0.0003771000000000, -0.0006009700000000, -0.0003936900000000 ] - [ -0.0002707500000000, -0.0007797500000000, -0.0004487700000000 ] - [ 0.0004068400000000, -0.0001145700000000, -0.0003163300000000 ] - [ 0.0642137400000000, 0.0032191200000000, 0.0125711100000000 ] - [ -0.0011670000000000, 0.0006568800000000, 0.0001275800000000 ] - [ -0.0003243000000000, 0.0007203200000000, -0.0001031500000000 ] - [ -0.0002689200000000, -0.0004402000000000, -0.0002997600000000 ] - [ 0.0004751500000000, 0.0000905900000000, 0.0003808900000000 ] - [ -0.0002583300000000, 0.0002329100000000, 0.0001667500000000 ] - [ -0.0002674200000000, 0.0003241600000000, -0.0002770400000000 ] - [ 0.0002480900000000, 0.0011283500000000, -0.0000955600000000 ] - [ -0.0016538800000000, -0.0003514000000000, -0.0003731700000000 ] - [ -0.0041857700000000, -0.0013648900000000, 0.0050831000000000 ] - [ -0.0003166200000000, -0.0004433200000000, -0.0000850300000000 ] - [ 0.0019451900000000, 0.0017979900000000, -0.0008824500000000 ] - [ -0.0006338400000000, 0.0010258400000000, 0.0002554100000000 ] - [ -0.0007050800000000, -0.0008370600000000, 0.0002687300000000 ] - [ 0.0000780100000000, 0.0000148300000000, 0.0006778300000000 ] - [ 0.0000969800000000, 0.0001656600000000, 0.0006734700000000 ] - [ -0.0005826000000000, 0.0009543100000000, -0.0010853300000000 ] - [ 0.0000284800000000, -0.0007965300000000, -0.0000446600000000 ] - [ -0.0001968300000000, 0.0006347100000000, -0.0003210600000000 ] - [ 0.0001875100000000, 0.0007102600000000, -0.0002322800000000 ] - [ 0.0003337100000000, 0.0005792100000000, 0.0012986600000000 ] - [ -0.0007448300000000, -0.0001205400000000, -0.0001315600000000 ]- atom: 123 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002831600000000, -0.0004346500000000, -0.0002420600000000 ] - [ 0.0000653100000000, -0.0012049700000000, -0.0001806900000000 ] - [ -0.0005466400000000, -0.0025419300000000, 0.0016672500000000 ] - [ 0.0002963300000000, 0.0001776400000000, -0.0000815700000000 ] - [ -0.0001019300000000, -0.0000643600000000, -0.0001666300000000 ] - [ 0.0003150200000000, -0.0005773000000000, 0.0000041000000000 ] - [ -0.0002914700000000, -0.0014647100000000, 0.0002303900000000 ] - [ -0.0002301600000000, -0.0003291700000000, 0.0003272600000000 ] - [ -0.0011408300000000, 0.0013874300000000, 0.0002868000000000 ] - [ -0.0000823700000000, 0.0064862100000000, 0.0004539200000000 ] - [ 0.0005434200000000, -0.0016302800000000, -0.0002870500000000 ] - [ 0.0004887700000000, -0.0006764300000000, -0.0003531800000000 ] - [ -0.0019967400000000, 0.0097206100000000, 0.0003482100000000 ] - [ -0.0000470100000000, 0.0015885000000000, 0.0000510900000000 ] - [ -0.0001795600000000, 0.0013548400000000, -0.0005756100000000 ] - [ 0.0005973600000000, 0.0026884400000000, 0.0001061100000000 ] - [ 0.0004705100000000, 0.0001047400000000, 0.0003261500000000 ] - [ -0.0011818800000000, -0.0008585700000000, -0.0003642000000000 ] - [ 0.0005443000000000, 0.0001296100000000, -0.0001326700000000 ] - [ -0.0018094600000000, -0.0012960700000000, -0.0005052700000000 ] - [ -0.0002430500000000, 0.0083925300000000, -0.0001444100000000 ] - [ 0.0003543700000000, 0.0011080900000000, 0.0003065700000000 ] - [ 0.0002792500000000, -0.0018289100000000, -0.0017733200000000 ] - [ 0.0003619900000000, 0.0004119000000000, 0.0003056700000000 ] - [ 0.0000862800000000, -0.0008122100000000, -0.0000275800000000 ] - [ -0.0003379400000000, -0.0009492900000000, -0.0001284700000000 ] - [ 0.0002605600000000, -0.0017629100000000, 0.0000602000000000 ] - [ 0.0006422800000000, -0.0009455400000000, 0.0001901900000000 ] - [ -0.0001681000000000, -0.0015031500000000, 0.0001809700000000 ] - [ -0.0005955800000000, -0.0016724900000000, 0.0000573400000000 ] - [ 0.0002181800000000, 0.0020731900000000, -0.0003751300000000 ] - [ 0.0007996300000000, 0.0001604200000000, 0.0002387800000000 ] - [ 0.0019974600000000, -0.0030720400000000, 0.0007537200000000 ] - [ 0.0003777900000000, -0.0009010100000000, 0.0002900700000000 ] - [ -0.0014544300000000, -0.0002118700000000, 0.0004464700000000 ] - [ 0.0002059900000000, -0.0008930200000000, 0.0012324900000000 ] - [ 0.0012404800000000, 0.0000745500000000, 0.0002296400000000 ] - [ -0.0019121300000000, 0.0009130300000000, -0.0001390800000000 ] - [ 0.0000400700000000, -0.0015063400000000, -0.0000475700000000 ] - [ 0.0004260000000000, -0.0009489200000000, -0.0000093800000000 ] - [ 0.0017506400000000, -0.0015476900000000, -0.0004808900000000 ] - [ 0.0005054900000000, -0.0003149900000000, -0.0006461100000000 ] - [ 0.0039150400000000, 0.0149246700000000, 0.0017436000000000 ] - [ 0.0007396900000000, 0.0008713400000000, -0.0000089200000000 ] - [ 0.0007110300000000, 0.0004178900000000, 0.0003101100000000 ] - [ -0.0019618400000000, 0.0011447800000000, -0.0009261700000000 ] - [ -0.0017842300000000, -0.0010393200000000, -0.0006798700000000 ] - [ 0.0003940300000000, -0.0014382500000000, -0.0004799000000000 ] - [ -0.0007069700000000, 0.0012069300000000, -0.0000777000000000 ] - [ -0.0006156100000000, 0.0002513400000000, -0.0001037700000000 ] - [ -0.0004197500000000, 0.0006776900000000, 0.0000308300000000 ] - [ -0.0000734100000000, 0.0002794300000000, 0.0001512900000000 ] - [ 0.0001424000000000, 0.0005481200000000, 0.0000193100000000 ] - [ 0.0002385500000000, 0.0008775300000000, 0.0000545300000000 ] - [ 0.0001077700000000, 0.0012053000000000, 0.0009018100000000 ] - [ -0.0000242500000000, -0.0007968400000000, 0.0003787400000000 ] - [ -0.0004039900000000, -0.0009551600000000, -0.0001711800000000 ] - [ 0.0001866700000000, -0.0031524800000000, -0.0001564500000000 ] - [ 0.0001959600000000, 0.0002994600000000, -0.0006697900000000 ] - [ 0.0003502200000000, 0.0002992300000000, -0.0006282000000000 ] - [ -0.0003826100000000, 0.0010077400000000, 0.0001581200000000 ] - [ 0.0000611100000000, -0.0002376800000000, 0.0000288500000000 ] - [ 0.0001903300000000, 0.0008926300000000, 0.0001678800000000 ] - [ -0.0001690100000000, 0.0004162900000000, 0.0001539000000000 ] - [ -0.0005774000000000, -0.0003205600000000, -0.0004124700000000 ] - [ -0.0001250900000000, 0.0000863700000000, -0.0002765700000000 ] - [ 0.0001788800000000, -0.0001271700000000, -0.0000340900000000 ] - [ 0.0020051200000000, 0.0004743000000000, -0.0001692200000000 ] - [ 0.0016250400000000, -0.0003854700000000, 0.0004292100000000 ] - [ -0.0005595700000000, -0.0003640000000000, 0.0001835900000000 ] - [ -0.0001525600000000, 0.0000337000000000, 0.0002872400000000 ] - [ -0.0017150200000000, 0.0010140900000000, 0.0012718100000000 ] - [ 0.0004712100000000, 0.0005778200000000, 0.0003263300000000 ] - [ -0.0001553700000000, 0.0004965100000000, -0.0000000700000000 ] - [ -0.0001272500000000, 0.0006146100000000, -0.0004328600000000 ] - [ -0.0002696800000000, 0.0005937400000000, -0.0004663600000000 ] - [ 0.0009492900000000, 0.0007375500000000, 0.0000037600000000 ] - [ 0.0000441600000000, 0.0001953900000000, -0.0002671800000000 ] - [ 0.0003328000000000, -0.0003161700000000, 0.0001654800000000 ] - [ -0.0002601100000000, -0.0001015500000000, -0.0001645100000000 ] - [ -0.0004078600000000, 0.0007687800000000, 0.0000766800000000 ] - [ -0.0004555600000000, 0.0001447600000000, 0.0000043800000000 ] - [ -0.0010088300000000, 0.0004626300000000, -0.0000124800000000 ] - [ -0.0005339200000000, -0.0001375700000000, 0.0003374000000000 ] - [ -0.0003081600000000, 0.0006953000000000, -0.0000928500000000 ] - [ 0.0000653300000000, 0.0003782500000000, -0.0000241300000000 ] - [ 0.0033454900000000, 0.0080045500000000, 0.0014409000000000 ] - [ 0.0002745800000000, -0.0007040300000000, 0.0003577000000000 ] - [ -0.0002395300000000, 0.0008416600000000, -0.0001912300000000 ] - [ 0.0001239000000000, 0.0013066600000000, -0.0000923400000000 ] - [ -0.0003951700000000, -0.0000177500000000, -0.0003410600000000 ] - [ 0.0015602400000000, 0.0013659700000000, 0.0012549300000000 ] - [ -0.0006306300000000, 0.0008546800000000, 0.0001296200000000 ] - [ -0.0007328300000000, 0.0005028600000000, 0.0000395100000000 ] - [ 0.0002547800000000, -0.0029016000000000, 0.0002295300000000 ] - [ -0.0001352900000000, -0.0002593800000000, -0.0000245000000000 ] - [ -0.0000602500000000, -0.0004917800000000, -0.0000447300000000 ] - [ 0.0018552400000000, -0.0009746700000000, 0.0001691300000000 ] - [ 0.0031614500000000, -0.0022827400000000, -0.0013120200000000 ] - [ -0.0011739100000000, -0.0007444600000000, 0.0003986000000000 ] - [ 0.0005704300000000, -0.0001299200000000, 0.0002579400000000 ] - [ -0.0004848800000000, -0.0003066000000000, -0.0004359100000000 ] - [ 0.0002080100000000, 0.0002086200000000, 0.0000422600000000 ] - [ 0.0000014600000000, 0.0004245400000000, 0.0001009500000000 ] - [ 0.0004734900000000, 0.0012990900000000, -0.0002800000000000 ] - [ 0.0002988200000000, 0.0003919400000000, -0.0002697700000000 ] - [ -0.0070456100000000, -0.0020424100000000, -0.0037410700000000 ] - [ 0.0000874900000000, -0.0005801000000000, -0.0006080900000000 ] - [ 0.0001350700000000, 0.0005615000000000, 0.0001486800000000 ] - [ 0.0001514200000000, 0.0001376100000000, 0.0001266600000000 ] - [ -0.0014482100000000, 0.0055634500000000, -0.0010918100000000 ] - [ 0.0000356800000000, 0.0003521900000000, 0.0002087300000000 ] - [ 0.0012174500000000, -0.0002550500000000, -0.0003295000000000 ] - [ 0.0001007900000000, 0.0002849900000000, -0.0003902000000000 ] - [ 0.0002253400000000, 0.0006293300000000, -0.0001395100000000 ] - [ 0.0001887400000000, 0.0001374500000000, -0.0001272400000000 ] - [ -0.0004604400000000, -0.0001002800000000, 0.0001929400000000 ] - [ -0.0003088200000000, 0.0001043100000000, 0.0002277300000000 ] - [ 0.0017694700000000, -0.0022635700000000, 0.0065017000000000 ] - [ 0.0001848600000000, -0.0009525400000000, -0.0002656100000000 ] - [ 0.0001328300000000, -0.0003462400000000, -0.0003333900000000 ] - [ -0.0002803000000000, 0.0002027400000000, -0.0005044600000000 ] - [ -0.0017904000000000, -0.0400197300000000, -0.0037688700000000 ] - [ -0.0000236300000000, 0.0001845600000000, 0.0002986900000000 ] - [ -0.0008066300000000, 0.0003343700000000, -0.0002614700000000 ] - [ 0.0005149700000000, 0.0002983000000000, 0.0000960500000000 ] - [ 0.0000000500000000, 0.0009899600000000, 0.0001816300000000 ] - [ 0.0000373100000000, 0.0003614800000000, 0.0002517900000000 ] - [ 0.0001782800000000, 0.0008602600000000, -0.0001779600000000 ] - [ -0.0002460100000000, 0.0012821100000000, -0.0002127200000000 ] - [ -0.0005245400000000, -0.0009358800000000, 0.0000232400000000 ] - [ 0.0006800900000000, -0.0030101800000000, 0.0001758800000000 ] - [ 0.0005235900000000, -0.0002356000000000, 0.0000194600000000 ] - [ -0.0006431600000000, 0.0012358700000000, -0.0018044500000000 ] - [ -0.0013467200000000, 0.0001582900000000, 0.0000500000000000 ] - [ 0.0002058600000000, -0.0000796300000000, 0.0003140500000000 ] - [ 0.0002300300000000, 0.0005602300000000, 0.0007114000000000 ] - [ 0.0000727100000000, 0.0004711100000000, 0.0006720700000000 ] - [ -0.0003842700000000, 0.0000583600000000, -0.0005036900000000 ] - [ 0.0006219100000000, -0.0003992100000000, 0.0000235900000000 ] - [ 0.0000023600000000, 0.0009569400000000, -0.0002878200000000 ] - [ 0.0000790000000000, 0.0012373600000000, -0.0002689600000000 ] - [ -0.0007308700000000, -0.0017186300000000, 0.0003106600000000 ] - [ 0.0004173000000000, -0.0004562000000000, 0.0004896600000000 ]- atom: 123 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001231200000000, 0.0010716200000000, -0.0002701300000000 ] - [ -0.0004749500000000, 0.0018431600000000, -0.0003318800000000 ] - [ 0.0007600800000000, 0.0032957500000000, -0.0019445100000000 ] - [ -0.0000864000000000, 0.0005677500000000, -0.0001816700000000 ] - [ 0.0001658300000000, 0.0015175000000000, 0.0000245000000000 ] - [ -0.0002543400000000, 0.0020312100000000, -0.0001477300000000 ] - [ -0.0001180100000000, 0.0020503600000000, 0.0004622300000000 ] - [ -0.0001795100000000, 0.0009188800000000, 0.0003660700000000 ] - [ 0.0000851500000000, -0.0013846500000000, 0.0004147400000000 ] - [ -0.0008271400000000, -0.0065389600000000, 0.0002733700000000 ] - [ 0.0005051300000000, 0.0016329600000000, -0.0004139100000000 ] - [ 0.0005586300000000, 0.0006821600000000, -0.0003487500000000 ] - [ 0.0017064200000000, -0.0079841200000000, 0.0000324800000000 ] - [ -0.0000155300000000, -0.0001307600000000, 0.0000920700000000 ] - [ 0.0005854000000000, -0.0007682300000000, -0.0001196500000000 ] - [ -0.0001857000000000, -0.0021160900000000, -0.0007988300000000 ] - [ -0.0006800900000000, 0.0006475900000000, -0.0000627700000000 ] - [ 0.0009663600000000, 0.0016075400000000, 0.0006241800000000 ] - [ -0.0009192900000000, 0.0008966600000000, -0.0003822900000000 ] - [ 0.0014214500000000, 0.0023145400000000, -0.0000118700000000 ] - [ 0.0006647500000000, -0.0076120300000000, 0.0004483000000000 ] - [ 0.0000525400000000, -0.0004669500000000, 0.0002060100000000 ] - [ 0.0000947300000000, 0.0028508500000000, 0.0023045300000000 ] - [ 0.0000141300000000, 0.0006089300000000, 0.0002098500000000 ] - [ -0.0003873200000000, 0.0008873800000000, -0.0001563800000000 ] - [ 0.0000329600000000, 0.0010232400000000, -0.0000563300000000 ] - [ 0.0007183000000000, 0.0010554400000000, 0.0002862400000000 ] - [ 0.0003357000000000, 0.0002355600000000, 0.0001546200000000 ] - [ -0.0006014700000000, 0.0001102900000000, 0.0000776600000000 ] - [ -0.0001774800000000, 0.0002795600000000, 0.0002000500000000 ] - [ 0.0005542400000000, -0.0034652700000000, 0.0001139700000000 ] - [ -0.0000242500000000, -0.0015534200000000, -0.0005000600000000 ] - [ -0.0005808000000000, 0.0016923700000000, -0.0000321200000000 ] - [ 0.0010248900000000, -0.0004664700000000, 0.0004287000000000 ] - [ -0.0002701600000000, 0.0000503000000000, 0.0006062700000000 ] - [ -0.0019346700000000, 0.0007341800000000, -0.0001808100000000 ] - [ -0.0022296900000000, -0.0007724600000000, -0.0005701700000000 ] - [ 0.0009367600000000, -0.0016086100000000, -0.0001999200000000 ] - [ 0.0005522400000000, 0.0008225100000000, -0.0000926000000000 ] - [ 0.0001639300000000, 0.0002649200000000, -0.0001307800000000 ] - [ -0.0000202100000000, 0.0013820400000000, -0.0005788200000000 ] - [ 0.0012195000000000, 0.0001524600000000, -0.0004136400000000 ] - [ -0.0041707800000000, -0.0151310300000000, -0.0017722700000000 ] - [ -0.0004387900000000, -0.0007942000000000, 0.0001997400000000 ] - [ -0.0013031400000000, -0.0011008200000000, -0.0001609200000000 ] - [ 0.0013643000000000, -0.0018160300000000, 0.0010739900000000 ] - [ 0.0003797200000000, -0.0003397300000000, -0.0000436800000000 ] - [ -0.0018034800000000, 0.0000646600000000, -0.0002475200000000 ] - [ -0.0004112500000000, -0.0011429900000000, -0.0000857600000000 ] - [ -0.0005039100000000, -0.0001841000000000, -0.0000595100000000 ] - [ 0.0000819700000000, -0.0007080100000000, 0.0002259400000000 ] - [ -0.0002616800000000, -0.0003111800000000, 0.0001062200000000 ] - [ 0.0000890100000000, -0.0001734300000000, -0.0000404000000000 ] - [ -0.0000058600000000, -0.0005023900000000, -0.0000750000000000 ] - [ -0.0001370300000000, -0.0024227700000000, -0.0001394300000000 ] - [ -0.0000060000000000, -0.0004272100000000, 0.0003714600000000 ] - [ 0.0000139300000000, 0.0005199700000000, -0.0000758600000000 ] - [ -0.0005982400000000, 0.0027138000000000, -0.0001168200000000 ] - [ 0.0004285200000000, -0.0005543600000000, -0.0006087500000000 ] - [ 0.0002760900000000, -0.0005542200000000, -0.0006496700000000 ] - [ 0.0002521700000000, -0.0017013800000000, -0.0001540100000000 ] - [ -0.0001886800000000, -0.0004602100000000, -0.0000267300000000 ] - [ -0.0003980800000000, -0.0005967000000000, 0.0001704100000000 ] - [ -0.0000372000000000, -0.0001191800000000, 0.0001841800000000 ] - [ -0.0002787300000000, -0.0009489200000000, -0.0003094800000000 ] - [ -0.0007286600000000, -0.0013539200000000, -0.0004449600000000 ] - [ 0.0009400200000000, 0.0001907800000000, 0.0001971500000000 ] - [ -0.0008808600000000, -0.0004124000000000, 0.0003287900000000 ] - [ -0.0012875100000000, 0.0003624300000000, -0.0006859100000000 ] - [ 0.0008942800000000, 0.0003355400000000, -0.0004409800000000 ] - [ -0.0006311600000000, 0.0003187500000000, 0.0001835000000000 ] - [ 0.0009379600000000, -0.0006613600000000, -0.0008059700000000 ] - [ -0.0002080600000000, -0.0001530600000000, -0.0000581300000000 ] - [ 0.0004205000000000, -0.0000727600000000, 0.0002688900000000 ] - [ -0.0003516200000000, -0.0003225600000000, -0.0004705000000000 ] - [ -0.0002076600000000, -0.0003012600000000, -0.0004362900000000 ] - [ -0.0002569700000000, -0.0009497900000000, -0.0004805200000000 ] - [ 0.0006524800000000, -0.0004048200000000, -0.0002073000000000 ] - [ -0.0002050300000000, -0.0003781400000000, -0.0001679300000000 ] - [ 0.0003884500000000, -0.0005929000000000, 0.0001634100000000 ] - [ -0.0003628000000000, -0.0009081600000000, -0.0000539400000000 ] - [ -0.0003151800000000, -0.0002859200000000, 0.0000182100000000 ] - [ -0.0003945300000000, -0.0010553300000000, 0.0005734200000000 ] - [ -0.0008665700000000, -0.0004571000000000, 0.0002263800000000 ] - [ 0.0002388300000000, -0.0005402600000000, -0.0000147000000000 ] - [ -0.0001323400000000, -0.0002241500000000, -0.0000829600000000 ] - [ -0.0025486100000000, -0.0094001700000000, -0.0007407600000000 ] - [ 0.0005805800000000, -0.0005625000000000, 0.0003635900000000 ] - [ 0.0000257900000000, 0.0002482600000000, -0.0001234900000000 ] - [ -0.0003355100000000, -0.0002149400000000, -0.0002215700000000 ] - [ 0.0002330700000000, 0.0003246800000000, -0.0001815100000000 ] - [ -0.0017128100000000, -0.0010517000000000, -0.0017644700000000 ] - [ -0.0006994400000000, -0.0005052300000000, -0.0000164500000000 ] - [ -0.0005962800000000, -0.0001531300000000, 0.0000742500000000 ] - [ -0.0004822900000000, 0.0032656900000000, -0.0002135200000000 ] - [ -0.0000968900000000, 0.0006338200000000, 0.0000456100000000 ] - [ 0.0013910900000000, 0.0008363400000000, -0.0000728600000000 ] - [ -0.0005252600000000, 0.0013169600000000, -0.0002830300000000 ] - [ -0.0037607800000000, 0.0020502700000000, 0.0025726000000000 ] - [ 0.0005493900000000, 0.0004894000000000, 0.0008803800000000 ] - [ -0.0004986600000000, 0.0002877200000000, -0.0001494000000000 ] - [ 0.0005520300000000, 0.0004632500000000, 0.0005439500000000 ] - [ 0.0000006100000000, 0.0008903900000000, 0.0002743500000000 ] - [ 0.0002108100000000, 0.0006674700000000, 0.0002139900000000 ] - [ 0.0003131000000000, -0.0009442200000000, -0.0001904500000000 ] - [ 0.0004865000000000, -0.0000424000000000, -0.0002008600000000 ] - [ 0.0068755400000000, 0.0020380800000000, 0.0024009400000000 ] - [ -0.0002905300000000, 0.0006450000000000, -0.0007429500000000 ] - [ 0.0002553100000000, -0.0009952000000000, 0.0000984300000000 ] - [ 0.0002390700000000, -0.0005715400000000, 0.0001202200000000 ] - [ 0.0014571800000000, -0.0043883400000000, 0.0014892600000000 ] - [ 0.0000007000000000, 0.0007442900000000, 0.0002125800000000 ] - [ 0.0001821200000000, -0.0003355500000000, -0.0002328900000000 ] - [ 0.0013006300000000, -0.0008738500000000, -0.0001732700000000 ] - [ 0.0001692400000000, -0.0010293100000000, -0.0000893800000000 ] - [ 0.0002061400000000, -0.0005377500000000, -0.0001014800000000 ] - [ -0.0002476100000000, -0.0009373500000000, 0.0002449200000000 ] - [ -0.0003975300000000, -0.0011415300000000, 0.0002104200000000 ] - [ -0.0010653100000000, 0.0012601600000000, -0.0069267900000000 ] - [ 0.0005218500000000, -0.0000845800000000, -0.0001723900000000 ] - [ -0.0001022800000000, -0.0008746800000000, -0.0004166700000000 ] - [ 0.0003127700000000, -0.0014249700000000, -0.0002448600000000 ] - [ 0.0025521600000000, 0.0411660800000000, 0.0044976800000000 ] - [ 0.0000648600000000, 0.0010387400000000, 0.0002597100000000 ] - [ 0.0005400300000000, 0.0000866200000000, -0.0000079700000000 ] - [ -0.0007751600000000, 0.0001224500000000, -0.0003640700000000 ] - [ 0.0001606400000000, -0.0006819200000000, 0.0003425100000000 ] - [ 0.0001231800000000, -0.0000519300000000, 0.0002712500000000 ] - [ -0.0002154900000000, 0.0002393300000000, -0.0002427100000000 ] - [ 0.0002110000000000, -0.0001829700000000, -0.0002077000000000 ] - [ 0.0001324900000000, 0.0005354400000000, 0.0002065600000000 ] - [ -0.0011037000000000, 0.0026012500000000, 0.0000685600000000 ] - [ 0.0002492600000000, 0.0000970800000000, -0.0000410200000000 ] - [ 0.0014241600000000, -0.0013800500000000, 0.0017943500000000 ] - [ 0.0006444900000000, -0.0003741400000000, 0.0004220100000000 ] - [ -0.0009010500000000, -0.0001330400000000, 0.0001602100000000 ] - [ -0.0000295200000000, -0.0004939300000000, 0.0006394500000000 ] - [ 0.0001297200000000, -0.0004044100000000, 0.0006792600000000 ] - [ 0.0005919700000000, 0.0002332100000000, 0.0001701200000000 ] - [ -0.0004146100000000, 0.0006894200000000, -0.0003600200000000 ] - [ -0.0000439600000000, 0.0002669100000000, -0.0002706900000000 ] - [ -0.0001190000000000, -0.0000129100000000, -0.0002890200000000 ] - [ 0.0012021000000000, 0.0019980900000000, 0.0005957400000000 ] - [ 0.0000572600000000, 0.0007450000000000, 0.0004133500000000 ]- atom: 123 displacement: [ -0.0025677773330734, 0.0000000000000000, 0.0096647048360389 ] forces: - [ -0.0001880700000000, 0.0002984400000000, -0.0002501500000000 ] - [ -0.0002241400000000, 0.0002514700000000, -0.0001743300000000 ] - [ 0.0002536600000000, 0.0012010600000000, -0.0001046900000000 ] - [ 0.0001436700000000, 0.0003663200000000, -0.0001027300000000 ] - [ 0.0000187700000000, 0.0006832100000000, -0.0000764300000000 ] - [ 0.0000630200000000, 0.0006758500000000, -0.0001573700000000 ] - [ -0.0002726000000000, 0.0000771100000000, 0.0003272900000000 ] - [ -0.0001856900000000, 0.0002748000000000, 0.0003595500000000 ] - [ 0.0003486500000000, 0.0001984800000000, 0.0006686600000000 ] - [ -0.0022170700000000, 0.0000498400000000, 0.0059308500000000 ] - [ 0.0005039300000000, -0.0000115700000000, -0.0003612600000000 ] - [ 0.0005422000000000, -0.0000176300000000, -0.0003544700000000 ] - [ -0.0035139800000000, 0.0017280400000000, 0.0041979100000000 ] - [ 0.0000355000000000, 0.0007698000000000, 0.0002276000000000 ] - [ -0.0000892900000000, 0.0002839800000000, -0.0004824100000000 ] - [ 0.0008010700000000, 0.0007194200000000, -0.0041410500000000 ] - [ -0.0001165300000000, 0.0004227600000000, 0.0001127300000000 ] - [ 0.0001036900000000, 0.0003929300000000, -0.0008352400000000 ] - [ -0.0000308400000000, 0.0004095200000000, -0.0001904200000000 ] - [ -0.0004498100000000, 0.0006040300000000, 0.0006209900000000 ] - [ -0.0000612300000000, 0.0012510800000000, 0.0041157200000000 ] - [ 0.0002682700000000, 0.0003439300000000, 0.0001678800000000 ] - [ 0.0000694100000000, -0.0007853200000000, 0.0001151700000000 ] - [ 0.0002267100000000, 0.0005133800000000, 0.0002316800000000 ] - [ -0.0001359200000000, -0.0000087800000000, -0.0000708000000000 ] - [ -0.0001450900000000, 0.0000452200000000, -0.0000899200000000 ] - [ 0.0004596500000000, -0.0004260400000000, 0.0002161300000000 ] - [ 0.0005212400000000, -0.0003928700000000, 0.0001783100000000 ] - [ -0.0003579600000000, -0.0007473900000000, 0.0001184300000000 ] - [ -0.0004109700000000, -0.0007454100000000, 0.0001267100000000 ] - [ 0.0018696500000000, -0.0001084700000000, -0.0054452000000000 ] - [ 0.0001240100000000, -0.0005786900000000, -0.0000893800000000 ] - [ 0.0004815900000000, -0.0006560700000000, 0.0008545500000000 ] - [ 0.0008051600000000, -0.0006199700000000, 0.0003665200000000 ] - [ -0.0008613000000000, -0.0000905500000000, 0.0003187300000000 ] - [ -0.0011991600000000, 0.0001933300000000, 0.0004918800000000 ] - [ -0.0009416100000000, -0.0000738700000000, 0.0003404000000000 ] - [ 0.0010931700000000, 0.0008499500000000, 0.0001534400000000 ] - [ 0.0002941800000000, -0.0004075500000000, -0.0001228700000000 ] - [ 0.0002935700000000, -0.0003522300000000, -0.0000654700000000 ] - [ 0.0009067100000000, -0.0001495300000000, -0.0010875000000000 ] - [ 0.0008089700000000, -0.0001335100000000, -0.0005544700000000 ] - [ -0.0009457100000000, 0.0014522000000000, 0.0109798100000000 ] - [ 0.0004818600000000, -0.0000141600000000, 0.0001581900000000 ] - [ -0.0000708400000000, -0.0002937600000000, -0.0004741500000000 ] - [ -0.0018339700000000, -0.0014254700000000, -0.0002331200000000 ] - [ -0.0008237200000000, -0.0007258800000000, -0.0001866700000000 ] - [ -0.0003001400000000, -0.0010581100000000, -0.0003731900000000 ] - [ -0.0005300000000000, 0.0000902200000000, -0.0002085700000000 ] - [ -0.0005772600000000, 0.0000418200000000, -0.0000865800000000 ] - [ -0.0001668600000000, 0.0000378600000000, 0.0000647200000000 ] - [ -0.0001853700000000, -0.0000251800000000, 0.0001227700000000 ] - [ 0.0001093300000000, 0.0002026600000000, -0.0000076100000000 ] - [ 0.0001392700000000, 0.0002237700000000, 0.0000000900000000 ] - [ -0.0005357600000000, -0.0015061500000000, 0.0040016400000000 ] - [ 0.0000110300000000, -0.0006048600000000, 0.0003804600000000 ] - [ -0.0002571200000000, -0.0002387400000000, 0.0000741100000000 ] - [ 0.0038247300000000, -0.0004121800000000, 0.0035176900000000 ] - [ 0.0003111400000000, -0.0001105700000000, -0.0006369500000000 ] - [ 0.0003079400000000, -0.0001174500000000, -0.0006198700000000 ] - [ -0.0000688900000000, 0.0003704700000000, -0.0000155800000000 ] - [ -0.0000671900000000, -0.0003533000000000, -0.0000396000000000 ] - [ -0.0001146900000000, 0.0001175000000000, 0.0001603300000000 ] - [ -0.0001090400000000, 0.0001586000000000, 0.0001560900000000 ] - [ -0.0004379000000000, -0.0006114200000000, -0.0003866300000000 ] - [ -0.0004404000000000, -0.0006968300000000, -0.0003433700000000 ] - [ 0.0005467400000000, 0.0000128100000000, 0.0000099900000000 ] - [ -0.0003870600000000, -0.0013897700000000, -0.0000951700000000 ] - [ 0.0006296200000000, 0.0000975300000000, -0.0007051800000000 ] - [ -0.0000951400000000, 0.0001729100000000, -0.0001029300000000 ] - [ -0.0003630500000000, 0.0001451300000000, 0.0001578900000000 ] - [ -0.0010774800000000, 0.0011546000000000, 0.0004323000000000 ] - [ 0.0001510700000000, 0.0002601300000000, 0.0002516500000000 ] - [ 0.0001489700000000, 0.0001891000000000, 0.0001374100000000 ] - [ -0.0002379000000000, 0.0001695300000000, -0.0004401700000000 ] - [ -0.0002346500000000, 0.0001509600000000, -0.0004518600000000 ] - [ 0.0004213000000000, -0.0000469100000000, -0.0003069700000000 ] - [ 0.0002931800000000, -0.0000582700000000, -0.0002267600000000 ] - [ 0.0001155400000000, -0.0003197000000000, 0.0000219400000000 ] - [ -0.0000155700000000, -0.0003697300000000, 0.0002873800000000 ] - [ -0.0003807400000000, -0.0000831600000000, 0.0001127600000000 ] - [ -0.0003887100000000, -0.0000629600000000, 0.0000110700000000 ] - [ -0.0006527500000000, -0.0004118600000000, 0.0003092500000000 ] - [ -0.0007176900000000, -0.0002982900000000, 0.0003221000000000 ] - [ -0.0000718000000000, 0.0001425000000000, 0.0000015600000000 ] - [ -0.0000241700000000, 0.0000995000000000, -0.0000536300000000 ] - [ 0.0010412400000000, -0.0005925100000000, -0.0016549900000000 ] - [ 0.0003586400000000, -0.0006124800000000, 0.0003449700000000 ] - [ -0.0001336700000000, 0.0005689200000000, -0.0001474300000000 ] - [ -0.0000573000000000, 0.0006141800000000, -0.0001367400000000 ] - [ -0.0001562000000000, 0.0001502000000000, -0.0002188500000000 ] - [ 0.0011016900000000, 0.0016585800000000, 0.0001597500000000 ] - [ -0.0006538500000000, 0.0002214500000000, 0.0000630500000000 ] - [ -0.0006738400000000, 0.0001864100000000, 0.0000655700000000 ] - [ -0.0013265800000000, 0.0001224300000000, 0.0047368700000000 ] - [ -0.0000699600000000, 0.0001526100000000, 0.0000128700000000 ] - [ 0.0002783600000000, 0.0002567000000000, -0.0003182000000000 ] - [ 0.0007729200000000, 0.0000129100000000, -0.0011617000000000 ] - [ -0.0068244100000000, -0.0023491000000000, 0.0022040000000000 ] - [ -0.0004328500000000, -0.0001667500000000, 0.0004602300000000 ] - [ 0.0001287200000000, 0.0001421900000000, 0.0010237600000000 ] - [ 0.0002640600000000, -0.0001327400000000, 0.0000313900000000 ] - [ -0.0003415600000000, 0.0004523000000000, 0.0012901400000000 ] - [ 0.0001354700000000, 0.0005408300000000, 0.0001564300000000 ] - [ 0.0004519100000000, 0.0001492400000000, -0.0003271500000000 ] - [ 0.0003595500000000, 0.0001857900000000, -0.0002451700000000 ] - [ 0.0041427500000000, -0.0013158400000000, -0.0032131500000000 ] - [ -0.0004955500000000, -0.0000293700000000, -0.0007501800000000 ] - [ 0.0001910900000000, -0.0001782900000000, 0.0001537500000000 ] - [ 0.0001926600000000, -0.0002047100000000, 0.0001249600000000 ] - [ 0.0009518900000000, -0.0001223700000000, -0.0021090600000000 ] - [ -0.0000464700000000, 0.0005308000000000, 0.0001982400000000 ] - [ 0.0006090900000000, -0.0004560300000000, -0.0003170500000000 ] - [ 0.0007177800000000, -0.0001495500000000, -0.0005243600000000 ] - [ 0.0002131400000000, -0.0001613900000000, -0.0001366100000000 ] - [ 0.0001878600000000, -0.0001894600000000, -0.0001174200000000 ] - [ -0.0003665800000000, -0.0004914500000000, 0.0002143200000000 ] - [ -0.0003456100000000, -0.0005061600000000, 0.0001973400000000 ] - [ 0.0040785700000000, 0.0039309300000000, 0.0097226000000000 ] - [ 0.0003164500000000, -0.0005328500000000, -0.0001276800000000 ] - [ 0.0000079800000000, -0.0006094600000000, -0.0003531900000000 ] - [ 0.0000465000000000, -0.0007479400000000, -0.0003692500000000 ] - [ 0.0047342300000000, -0.0030983600000000, -0.0379922900000000 ] - [ -0.0001380500000000, 0.0006407000000000, 0.0002470800000000 ] - [ -0.0003080300000000, 0.0002918300000000, 0.0000457200000000 ] - [ 0.0000982300000000, 0.0003345000000000, -0.0001369000000000 ] - [ 0.0000474600000000, 0.0001957800000000, 0.0003661400000000 ] - [ 0.0000816400000000, 0.0001613600000000, 0.0002614700000000 ] - [ -0.0000092600000000, 0.0005515100000000, -0.0002318800000000 ] - [ -0.0000648700000000, 0.0007400200000000, -0.0002100500000000 ] - [ -0.0000746400000000, -0.0001900600000000, -0.0000124700000000 ] - [ -0.0055733400000000, -0.0004851300000000, 0.0026444400000000 ] - [ 0.0003635500000000, -0.0001104500000000, 0.0000759400000000 ] - [ 0.0011201500000000, -0.0011087700000000, 0.0002043500000000 ] - [ -0.0003648600000000, -0.0001067500000000, -0.0000576800000000 ] - [ -0.0005364400000000, -0.0002689900000000, 0.0001362500000000 ] - [ 0.0001082500000000, 0.0000582600000000, 0.0006669400000000 ] - [ 0.0000926700000000, 0.0000568000000000, 0.0006730900000000 ] - [ 0.0002597100000000, 0.0000301200000000, -0.0000368400000000 ] - [ -0.0001205000000000, 0.0001039500000000, 0.0006296300000000 ] - [ -0.0000262600000000, 0.0006260600000000, -0.0002842200000000 ] - [ -0.0000126100000000, 0.0006283400000000, -0.0002753900000000 ] - [ 0.0000523000000000, 0.0000284700000000, 0.0026707800000000 ] - [ 0.0006314300000000, 0.0002392400000000, 0.0005222500000000 ]- atom: 123 displacement: [ 0.0025677773330734, 0.0000000000000000, -0.0096647048360389 ] forces: - [ -0.0002192800000000, 0.0003378200000000, -0.0002613500000000 ] - [ -0.0001827700000000, 0.0003811600000000, -0.0003373300000000 ] - [ -0.0000473900000000, -0.0004623500000000, -0.0001435700000000 ] - [ 0.0000689400000000, 0.0003803600000000, -0.0001592700000000 ] - [ 0.0000440400000000, 0.0007687400000000, -0.0000662500000000 ] - [ 0.0000001900000000, 0.0007743200000000, 0.0000152700000000 ] - [ -0.0001389900000000, 0.0005028300000000, 0.0003678100000000 ] - [ -0.0002240500000000, 0.0003114700000000, 0.0003346200000000 ] - [ -0.0013978900000000, -0.0001905300000000, 0.0000403000000000 ] - [ 0.0011869400000000, -0.0000431200000000, -0.0052240300000000 ] - [ 0.0005446600000000, 0.0000098900000000, -0.0003409200000000 ] - [ 0.0005059400000000, 0.0000204300000000, -0.0003465400000000 ] - [ 0.0032130800000000, 0.0000314700000000, -0.0038195200000000 ] - [ -0.0000956600000000, 0.0006892900000000, -0.0000832700000000 ] - [ 0.0005007000000000, 0.0003058300000000, -0.0002149200000000 ] - [ -0.0004071500000000, -0.0001084100000000, 0.0034456800000000 ] - [ -0.0000911000000000, 0.0003259000000000, 0.0001510900000000 ] - [ -0.0003257600000000, 0.0003467300000000, 0.0010978000000000 ] - [ -0.0003423500000000, 0.0006132200000000, -0.0003220500000000 ] - [ 0.0000704200000000, 0.0004199000000000, -0.0011384200000000 ] - [ 0.0004782500000000, -0.0002903200000000, -0.0041222100000000 ] - [ 0.0001384500000000, 0.0002982700000000, 0.0003458500000000 ] - [ 0.0003086900000000, 0.0018050100000000, 0.0003856600000000 ] - [ 0.0001504700000000, 0.0005092700000000, 0.0002850200000000 ] - [ -0.0001648800000000, 0.0000801200000000, -0.0001146500000000 ] - [ -0.0001577600000000, 0.0000249200000000, -0.0000965000000000 ] - [ 0.0005188000000000, -0.0002877000000000, 0.0001240300000000 ] - [ 0.0004594100000000, -0.0003188600000000, 0.0001613900000000 ] - [ -0.0004117100000000, -0.0006490600000000, 0.0001405000000000 ] - [ -0.0003616100000000, -0.0006509600000000, 0.0001317300000000 ] - [ -0.0010837100000000, -0.0012641100000000, 0.0051941500000000 ] - [ 0.0006514000000000, -0.0008110800000000, -0.0001667400000000 ] - [ 0.0009249000000000, -0.0007169600000000, -0.0001332600000000 ] - [ 0.0005993100000000, -0.0007523700000000, 0.0003507200000000 ] - [ -0.0008626900000000, -0.0000641700000000, 0.0007355400000000 ] - [ -0.0005228800000000, -0.0003545000000000, 0.0005669700000000 ] - [ -0.0000488000000000, -0.0006230100000000, -0.0006747600000000 ] - [ -0.0020769100000000, -0.0015590500000000, -0.0005013900000000 ] - [ 0.0002954600000000, -0.0002795100000000, -0.0000163000000000 ] - [ 0.0002979600000000, -0.0003331500000000, -0.0000737000000000 ] - [ 0.0008282600000000, -0.0000303700000000, 0.0000289400000000 ] - [ 0.0009160300000000, -0.0000315300000000, -0.0005036500000000 ] - [ 0.0012291700000000, -0.0013605400000000, -0.0107636400000000 ] - [ -0.0001794500000000, 0.0000938700000000, 0.0000322700000000 ] - [ -0.0005109100000000, -0.0003938400000000, 0.0006269900000000 ] - [ 0.0012324100000000, 0.0007428600000000, 0.0003941000000000 ] - [ -0.0005879700000000, -0.0006483000000000, -0.0005404000000000 ] - [ -0.0011031700000000, -0.0003172400000000, -0.0003556900000000 ] - [ -0.0005893900000000, -0.0000203800000000, 0.0000460900000000 ] - [ -0.0005421300000000, 0.0000239200000000, -0.0000765900000000 ] - [ -0.0001701000000000, -0.0000668500000000, 0.0001924700000000 ] - [ -0.0001500200000000, -0.0000051700000000, 0.0001354100000000 ] - [ 0.0001215200000000, 0.0001722500000000, -0.0000121200000000 ] - [ 0.0000927600000000, 0.0001527000000000, -0.0000195400000000 ] - [ 0.0005144300000000, 0.0003116100000000, -0.0032651400000000 ] - [ -0.0000409100000000, -0.0006194300000000, 0.0003693800000000 ] - [ -0.0001383100000000, -0.0001990200000000, -0.0003218900000000 ] - [ -0.0041657300000000, -0.0000271400000000, -0.0037463000000000 ] - [ 0.0003131800000000, -0.0001431000000000, -0.0006405300000000 ] - [ 0.0003175800000000, -0.0001362800000000, -0.0006574600000000 ] - [ -0.0000583100000000, -0.0010558700000000, 0.0000134300000000 ] - [ -0.0000597500000000, -0.0003437400000000, 0.0000427200000000 ] - [ -0.0000890000000000, 0.0001798300000000, 0.0001781600000000 ] - [ -0.0000963100000000, 0.0001369500000000, 0.0001826800000000 ] - [ -0.0004191000000000, -0.0006553500000000, -0.0003344700000000 ] - [ -0.0004146000000000, -0.0005676200000000, -0.0003757800000000 ] - [ 0.0005712800000000, 0.0000503500000000, 0.0001541800000000 ] - [ 0.0015152600000000, 0.0014603100000000, 0.0002696500000000 ] - [ -0.0002840100000000, -0.0001246200000000, 0.0004544100000000 ] - [ 0.0004279200000000, -0.0002053900000000, -0.0001468900000000 ] - [ -0.0004210800000000, 0.0002061400000000, 0.0003130900000000 ] - [ 0.0002902400000000, -0.0008025200000000, 0.0000497400000000 ] - [ 0.0001142800000000, 0.0001611500000000, 0.0000194400000000 ] - [ 0.0001142000000000, 0.0002335500000000, 0.0001318100000000 ] - [ -0.0002406300000000, 0.0001223100000000, -0.0004611000000000 ] - [ -0.0002440700000000, 0.0001409500000000, -0.0004494200000000 ] - [ 0.0002777500000000, -0.0001604300000000, -0.0001657800000000 ] - [ 0.0004020400000000, -0.0001522000000000, -0.0002474700000000 ] - [ 0.0000121500000000, -0.0003771500000000, -0.0000215900000000 ] - [ 0.0001425100000000, -0.0003277700000000, -0.0002892000000000 ] - [ -0.0003894300000000, -0.0000506700000000, -0.0000884100000000 ] - [ -0.0003821600000000, -0.0000763100000000, 0.0000124200000000 ] - [ -0.0007498600000000, -0.0001781100000000, 0.0002579900000000 ] - [ -0.0006814400000000, -0.0002944100000000, 0.0002428500000000 ] - [ 0.0000019800000000, 0.0000153600000000, -0.0001081800000000 ] - [ -0.0000433700000000, 0.0000558900000000, -0.0000527700000000 ] - [ -0.0001705400000000, -0.0006206500000000, 0.0023835100000000 ] - [ 0.0004967800000000, -0.0006540500000000, 0.0003773700000000 ] - [ -0.0000806800000000, 0.0005234300000000, -0.0001670300000000 ] - [ -0.0001540900000000, 0.0004799700000000, -0.0001782300000000 ] - [ -0.0000087700000000, 0.0001564900000000, -0.0003044300000000 ] - [ -0.0012521600000000, -0.0013501700000000, -0.0006880800000000 ] - [ -0.0006754100000000, 0.0001287400000000, 0.0000523700000000 ] - [ -0.0006555600000000, 0.0001624100000000, 0.0000491000000000 ] - [ 0.0010926000000000, 0.0002405200000000, -0.0046958000000000 ] - [ -0.0001620700000000, 0.0002199100000000, 0.0000078800000000 ] - [ 0.0010490500000000, 0.0000876600000000, 0.0001975900000000 ] - [ 0.0005486300000000, 0.0003252700000000, 0.0010487300000000 ] - [ 0.0061500100000000, 0.0020668000000000, -0.0009450200000000 ] - [ -0.0002001900000000, -0.0000912600000000, 0.0008167900000000 ] - [ -0.0000647700000000, 0.0000063900000000, -0.0009180200000000 ] - [ -0.0001965900000000, 0.0002847400000000, 0.0000726100000000 ] - [ 0.0005565000000000, 0.0006286900000000, -0.0009761200000000 ] - [ 0.0000762300000000, 0.0005507700000000, 0.0001589900000000 ] - [ 0.0003351300000000, 0.0002031200000000, -0.0001428200000000 ] - [ 0.0004263100000000, 0.0001657600000000, -0.0002247600000000 ] - [ -0.0042703800000000, 0.0013369500000000, 0.0019182100000000 ] - [ 0.0002960600000000, 0.0000919400000000, -0.0005955800000000 ] - [ 0.0002010600000000, -0.0002540200000000, 0.0000954400000000 ] - [ 0.0001990900000000, -0.0002293900000000, 0.0001237800000000 ] - [ -0.0009105200000000, 0.0012044100000000, 0.0025394500000000 ] - [ 0.0000835000000000, 0.0005651000000000, 0.0002250200000000 ] - [ 0.0007931100000000, -0.0001374900000000, -0.0002477100000000 ] - [ 0.0006789000000000, -0.0004354500000000, -0.0000391900000000 ] - [ 0.0001828900000000, -0.0002376000000000, -0.0000919300000000 ] - [ 0.0002078200000000, -0.0002116000000000, -0.0001110500000000 ] - [ -0.0003422900000000, -0.0005454000000000, 0.0002236200000000 ] - [ -0.0003622800000000, -0.0005300300000000, 0.0002411100000000 ] - [ -0.0034516800000000, -0.0050581000000000, -0.0102786600000000 ] - [ 0.0003913800000000, -0.0005066700000000, -0.0003092300000000 ] - [ 0.0000223800000000, -0.0006129600000000, -0.0003951900000000 ] - [ -0.0000167600000000, -0.0004720900000000, -0.0003800400000000 ] - [ -0.0045329000000000, 0.0037595200000000, 0.0387482600000000 ] - [ 0.0001791700000000, 0.0005809400000000, 0.0003134200000000 ] - [ 0.0000387300000000, 0.0001315800000000, -0.0003163400000000 ] - [ -0.0003579800000000, 0.0000859300000000, -0.0001326800000000 ] - [ 0.0001142800000000, 0.0001141300000000, 0.0001590600000000 ] - [ 0.0000795700000000, 0.0001468200000000, 0.0002633400000000 ] - [ -0.0000271000000000, 0.0005469300000000, -0.0001888000000000 ] - [ 0.0000273300000000, 0.0003597900000000, -0.0002100500000000 ] - [ -0.0003181800000000, -0.0002131600000000, 0.0002426500000000 ] - [ 0.0052476600000000, 0.0000837600000000, -0.0024267500000000 ] - [ 0.0004071100000000, -0.0000301400000000, -0.0000973200000000 ] - [ -0.0003455100000000, 0.0009705800000000, -0.0002378600000000 ] - [ -0.0003337800000000, -0.0001083600000000, 0.0005300000000000 ] - [ -0.0001584800000000, 0.0000565900000000, 0.0003415100000000 ] - [ 0.0000934800000000, 0.0000084400000000, 0.0006837500000000 ] - [ 0.0001086800000000, 0.0000096200000000, 0.0006776700000000 ] - [ -0.0000570500000000, 0.0002613300000000, -0.0002944000000000 ] - [ 0.0003297000000000, 0.0001904800000000, -0.0009671100000000 ] - [ -0.0000164300000000, 0.0005978300000000, -0.0002748000000000 ] - [ -0.0000290600000000, 0.0005972000000000, -0.0002829600000000 ] - [ 0.0004117300000000, 0.0002540000000000, -0.0017739100000000 ] - [ -0.0001520100000000, 0.0000476200000000, 0.0003792900000000 ]