# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e18f1198-a18d-4e49-ba09-ba89d715afaf/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 K2Te2As / Pnma (62) / materials id 29380](https://mdr.nims.go.jp/datasets/353e4be3-30f2-416e-a1e7-2c71a037d235) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 19.809312840000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.308862510000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.029221590000001 ] # c points: - symbol: K # 1 coordinates: [ 0.544061630000000, 0.250000000000000, 0.417045760000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.455938370000000, 0.750000000000000, 0.582954240000000 ] mass: 39.098300 - symbol: K # 3 coordinates: [ 0.955938370000000, 0.750000000000000, 0.917045760000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.044061630000000, 0.250000000000000, 0.082954240000000 ] mass: 39.098300 - symbol: K # 5 coordinates: [ 0.186596100000000, 0.250000000000000, 0.499039440000000 ] mass: 39.098300 - symbol: K # 6 coordinates: [ 0.813403900000000, 0.750000000000000, 0.500960560000000 ] mass: 39.098300 - symbol: K # 7 coordinates: [ 0.313403900000000, 0.750000000000000, 0.999039440000000 ] mass: 39.098300 - symbol: K # 8 coordinates: [ 0.686596100000000, 0.250000000000000, 0.000960560000000 ] mass: 39.098300 - symbol: K # 9 coordinates: [ 0.715112690000000, 0.250000000000000, 0.602819270000000 ] mass: 39.098300 - symbol: K # 10 coordinates: [ 0.284887310000000, 0.750000000000000, 0.397180730000000 ] mass: 39.098300 - symbol: K # 11 coordinates: [ 0.784887310000000, 0.750000000000000, 0.102819270000000 ] mass: 39.098300 - symbol: K # 12 coordinates: [ 0.215112690000000, 0.250000000000000, 0.897180730000000 ] mass: 39.098300 - symbol: K # 13 coordinates: [ 0.440030810000000, 0.250000000000000, 0.924120630000000 ] mass: 39.098300 - symbol: K # 14 coordinates: [ 0.559969190000000, 0.750000000000000, 0.075879370000000 ] mass: 39.098300 - symbol: K # 15 coordinates: [ 0.059969190000000, 0.750000000000000, 0.424120630000000 ] mass: 39.098300 - symbol: K # 16 coordinates: [ 0.940030810000000, 0.250000000000000, 0.575879370000000 ] mass: 39.098300 - symbol: As # 17 coordinates: [ 0.345270550000000, 0.250000000000000, 0.307080510000000 ] mass: 74.921600 - symbol: As # 18 coordinates: [ 0.654729450000000, 0.750000000000000, 0.692919490000000 ] mass: 74.921600 - symbol: As # 19 coordinates: [ 0.154729450000000, 0.750000000000000, 0.807080510000000 ] mass: 74.921600 - symbol: As # 20 coordinates: [ 0.845270550000000, 0.250000000000000, 0.192919490000000 ] mass: 74.921600 - symbol: As # 21 coordinates: [ 0.385155720000000, 0.250000000000000, 0.568214630000000 ] mass: 74.921600 - symbol: As # 22 coordinates: [ 0.614844280000000, 0.750000000000000, 0.431785370000000 ] mass: 74.921600 - symbol: As # 23 coordinates: [ 0.114844280000000, 0.750000000000000, 0.068214630000000 ] mass: 74.921600 - symbol: As # 24 coordinates: [ 0.885155720000000, 0.250000000000000, 0.931785370000000 ] mass: 74.921600 - symbol: Te # 25 coordinates: [ 0.418290100000000, 0.998757390000000, 0.240866760000000 ] mass: 127.600000 - symbol: Te # 26 coordinates: [ 0.581709900000000, 0.498757390000000, 0.759133240000000 ] mass: 127.600000 - symbol: Te # 27 coordinates: [ 0.081709900000000, 0.001242610000000, 0.740866760000000 ] mass: 127.600000 - symbol: Te # 28 coordinates: [ 0.918290100000000, 0.501242610000000, 0.259133240000000 ] mass: 127.600000 - symbol: Te # 29 coordinates: [ 0.581709900000000, 0.001242610000000, 0.759133240000000 ] mass: 127.600000 - symbol: Te # 30 coordinates: [ 0.418290100000000, 0.501242610000000, 0.240866760000000 ] mass: 127.600000 - symbol: Te # 31 coordinates: [ 0.918290100000000, 0.998757390000000, 0.259133240000000 ] mass: 127.600000 - symbol: Te # 32 coordinates: [ 0.081709900000000, 0.498757390000000, 0.740866760000000 ] mass: 127.600000 - symbol: Te # 33 coordinates: [ 0.181186780000000, 0.990993160000000, 0.182088820000000 ] mass: 127.600000 - symbol: Te # 34 coordinates: [ 0.818813220000000, 0.490993160000000, 0.817911180000000 ] mass: 127.600000 - symbol: Te # 35 coordinates: [ 0.318813220000000, 0.009006840000000, 0.682088820000000 ] mass: 127.600000 - symbol: Te # 36 coordinates: [ 0.681186780000000, 0.509006840000000, 0.317911180000000 ] mass: 127.600000 - symbol: Te # 37 coordinates: [ 0.818813220000000, 0.009006840000000, 0.817911180000000 ] mass: 127.600000 - symbol: Te # 38 coordinates: [ 0.181186780000000, 0.509006840000000, 0.182088820000000 ] mass: 127.600000 - symbol: Te # 39 coordinates: [ 0.681186780000000, 0.990993160000000, 0.317911180000000 ] mass: 127.600000 - symbol: Te # 40 coordinates: [ 0.318813220000000, 0.490993160000000, 0.682088820000000 ] mass: 127.600000 reciprocal_lattice: # without 2pi - [ 0.050481306851833, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.120353417666554, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.110751518282320 ] # c*unit_cell: lattice: - [ 19.809312840000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.308862510000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.029221590000001 ] # c points: - symbol: K # 1 coordinates: [ 0.544061630000000, 0.250000000000000, 0.417045760000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.455938370000000, 0.750000000000000, 0.582954240000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.955938370000000, 0.750000000000000, 0.917045760000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.044061630000000, 0.250000000000000, 0.082954240000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 5 coordinates: [ 0.186596100000000, 0.250000000000000, 0.499039440000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.813403900000000, 0.750000000000000, 0.500960560000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 7 coordinates: [ 0.313403900000000, 0.750000000000000, 0.999039440000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 8 coordinates: [ 0.686596100000000, 0.250000000000000, 0.000960560000000 ] mass: 39.098300 reduced_to: 8 - symbol: K # 9 coordinates: [ 0.715112690000000, 0.250000000000000, 0.602819270000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 10 coordinates: [ 0.284887310000000, 0.750000000000000, 0.397180730000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 11 coordinates: [ 0.784887310000000, 0.750000000000000, 0.102819270000000 ] mass: 39.098300 reduced_to: 11 - symbol: K # 12 coordinates: [ 0.215112690000000, 0.250000000000000, 0.897180730000000 ] mass: 39.098300 reduced_to: 12 - symbol: K # 13 coordinates: [ 0.440030810000000, 0.250000000000000, 0.924120630000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 14 coordinates: [ 0.559969190000000, 0.750000000000000, 0.075879370000000 ] mass: 39.098300 reduced_to: 14 - symbol: K # 15 coordinates: [ 0.059969190000000, 0.750000000000000, 0.424120630000000 ] mass: 39.098300 reduced_to: 15 - symbol: K # 16 coordinates: [ 0.940030810000000, 0.250000000000000, 0.575879370000000 ] mass: 39.098300 reduced_to: 16 - symbol: As # 17 coordinates: [ 0.345270550000000, 0.250000000000000, 0.307080510000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 18 coordinates: [ 0.654729450000000, 0.750000000000000, 0.692919490000000 ] mass: 74.921600 reduced_to: 18 - symbol: As # 19 coordinates: [ 0.154729450000000, 0.750000000000000, 0.807080510000000 ] mass: 74.921600 reduced_to: 19 - symbol: As # 20 coordinates: [ 0.845270550000000, 0.250000000000000, 0.192919490000000 ] mass: 74.921600 reduced_to: 20 - symbol: As # 21 coordinates: [ 0.385155720000000, 0.250000000000000, 0.568214630000000 ] mass: 74.921600 reduced_to: 21 - symbol: As # 22 coordinates: [ 0.614844280000000, 0.750000000000000, 0.431785370000000 ] mass: 74.921600 reduced_to: 22 - symbol: As # 23 coordinates: [ 0.114844280000000, 0.750000000000000, 0.068214630000000 ] mass: 74.921600 reduced_to: 23 - symbol: As # 24 coordinates: [ 0.885155720000000, 0.250000000000000, 0.931785370000000 ] mass: 74.921600 reduced_to: 24 - symbol: Te # 25 coordinates: [ 0.418290100000000, 0.998757390000000, 0.240866760000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 26 coordinates: [ 0.581709900000000, 0.498757390000000, 0.759133240000000 ] mass: 127.600000 reduced_to: 26 - symbol: Te # 27 coordinates: [ 0.081709900000000, 0.001242610000000, 0.740866760000000 ] mass: 127.600000 reduced_to: 27 - symbol: Te # 28 coordinates: [ 0.918290100000000, 0.501242610000000, 0.259133240000000 ] mass: 127.600000 reduced_to: 28 - symbol: Te # 29 coordinates: [ 0.581709900000000, 0.001242610000000, 0.759133240000000 ] mass: 127.600000 reduced_to: 29 - symbol: Te # 30 coordinates: [ 0.418290100000000, 0.501242610000000, 0.240866760000000 ] mass: 127.600000 reduced_to: 30 - symbol: Te # 31 coordinates: [ 0.918290100000000, 0.998757390000000, 0.259133240000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 32 coordinates: [ 0.081709900000000, 0.498757390000000, 0.740866760000000 ] mass: 127.600000 reduced_to: 32 - symbol: Te # 33 coordinates: [ 0.181186780000000, 0.990993160000000, 0.182088820000000 ] mass: 127.600000 reduced_to: 33 - symbol: Te # 34 coordinates: [ 0.818813220000000, 0.490993160000000, 0.817911180000000 ] mass: 127.600000 reduced_to: 34 - symbol: Te # 35 coordinates: [ 0.318813220000000, 0.009006840000000, 0.682088820000000 ] mass: 127.600000 reduced_to: 35 - symbol: Te # 36 coordinates: [ 0.681186780000000, 0.509006840000000, 0.317911180000000 ] mass: 127.600000 reduced_to: 36 - symbol: Te # 37 coordinates: [ 0.818813220000000, 0.009006840000000, 0.817911180000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 38 coordinates: [ 0.181186780000000, 0.509006840000000, 0.182088820000000 ] mass: 127.600000 reduced_to: 38 - symbol: Te # 39 coordinates: [ 0.681186780000000, 0.990993160000000, 0.317911180000000 ] mass: 127.600000 reduced_to: 39 - symbol: Te # 40 coordinates: [ 0.318813220000000, 0.490993160000000, 0.682088820000000 ] mass: 127.600000 reduced_to: 40supercell: lattice: - [ 19.809312840000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 16.617725020000002, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.029221590000001 ] # c points: - symbol: K # 1 coordinates: [ 0.544061630000000, 0.125000000000000, 0.417045760000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.544061630000000, 0.625000000000000, 0.417045760000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 3 coordinates: [ 0.455938370000000, 0.375000000000000, 0.582954240000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.455938370000000, 0.875000000000000, 0.582954240000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 5 coordinates: [ 0.955938370000000, 0.375000000000000, 0.917045760000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.955938370000000, 0.875000000000000, 0.917045760000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 7 coordinates: [ 0.044061630000000, 0.125000000000000, 0.082954240000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 8 coordinates: [ 0.044061630000000, 0.625000000000000, 0.082954240000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 9 coordinates: [ 0.186596100000000, 0.125000000000000, 0.499039440000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 10 coordinates: [ 0.186596100000000, 0.625000000000000, 0.499039440000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 11 coordinates: [ 0.813403900000000, 0.375000000000000, 0.500960560000000 ] mass: 39.098300 reduced_to: 11 - symbol: K # 12 coordinates: [ 0.813403900000000, 0.875000000000000, 0.500960560000000 ] mass: 39.098300 reduced_to: 11 - symbol: K # 13 coordinates: [ 0.313403900000000, 0.375000000000000, 0.999039440000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 14 coordinates: [ 0.313403900000000, 0.875000000000000, 0.999039440000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 15 coordinates: [ 0.686596100000000, 0.125000000000000, 0.000960560000000 ] mass: 39.098300 reduced_to: 15 - symbol: K # 16 coordinates: [ 0.686596100000000, 0.625000000000000, 0.000960560000000 ] mass: 39.098300 reduced_to: 15 - symbol: K # 17 coordinates: [ 0.715112690000000, 0.125000000000000, 0.602819270000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 18 coordinates: [ 0.715112690000000, 0.625000000000000, 0.602819270000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 19 coordinates: [ 0.284887310000000, 0.375000000000000, 0.397180730000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 20 coordinates: [ 0.284887310000000, 0.875000000000000, 0.397180730000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 21 coordinates: [ 0.784887310000000, 0.375000000000000, 0.102819270000000 ] mass: 39.098300 reduced_to: 21 - symbol: K # 22 coordinates: [ 0.784887310000000, 0.875000000000000, 0.102819270000000 ] mass: 39.098300 reduced_to: 21 - symbol: K # 23 coordinates: [ 0.215112690000000, 0.125000000000000, 0.897180730000000 ] mass: 39.098300 reduced_to: 23 - symbol: K # 24 coordinates: [ 0.215112690000000, 0.625000000000000, 0.897180730000000 ] mass: 39.098300 reduced_to: 23 - symbol: K # 25 coordinates: [ 0.440030810000000, 0.125000000000000, 0.924120630000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 26 coordinates: [ 0.440030810000000, 0.625000000000000, 0.924120630000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 27 coordinates: [ 0.559969190000000, 0.375000000000000, 0.075879370000000 ] mass: 39.098300 reduced_to: 27 - symbol: K # 28 coordinates: [ 0.559969190000000, 0.875000000000000, 0.075879370000000 ] mass: 39.098300 reduced_to: 27 - symbol: K # 29 coordinates: [ 0.059969190000000, 0.375000000000000, 0.424120630000000 ] mass: 39.098300 reduced_to: 29 - symbol: K # 30 coordinates: [ 0.059969190000000, 0.875000000000000, 0.424120630000000 ] mass: 39.098300 reduced_to: 29 - symbol: K # 31 coordinates: [ 0.940030810000000, 0.125000000000000, 0.575879370000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 32 coordinates: [ 0.940030810000000, 0.625000000000000, 0.575879370000000 ] mass: 39.098300 reduced_to: 31 - symbol: As # 33 coordinates: [ 0.345270550000000, 0.125000000000000, 0.307080510000000 ] mass: 74.921600 reduced_to: 33 - symbol: As # 34 coordinates: [ 0.345270550000000, 0.625000000000000, 0.307080510000000 ] mass: 74.921600 reduced_to: 33 - symbol: As # 35 coordinates: [ 0.654729450000000, 0.375000000000000, 0.692919490000000 ] mass: 74.921600 reduced_to: 35 - symbol: As # 36 coordinates: [ 0.654729450000000, 0.875000000000000, 0.692919490000000 ] mass: 74.921600 reduced_to: 35 - symbol: As # 37 coordinates: [ 0.154729450000000, 0.375000000000000, 0.807080510000000 ] mass: 74.921600 reduced_to: 37 - symbol: As # 38 coordinates: [ 0.154729450000000, 0.875000000000000, 0.807080510000000 ] mass: 74.921600 reduced_to: 37 - symbol: As # 39 coordinates: [ 0.845270550000000, 0.125000000000000, 0.192919490000000 ] mass: 74.921600 reduced_to: 39 - symbol: As # 40 coordinates: [ 0.845270550000000, 0.625000000000000, 0.192919490000000 ] mass: 74.921600 reduced_to: 39 - symbol: As # 41 coordinates: [ 0.385155720000000, 0.125000000000000, 0.568214630000000 ] mass: 74.921600 reduced_to: 41 - symbol: As # 42 coordinates: [ 0.385155720000000, 0.625000000000000, 0.568214630000000 ] mass: 74.921600 reduced_to: 41 - symbol: As # 43 coordinates: [ 0.614844280000000, 0.375000000000000, 0.431785370000000 ] mass: 74.921600 reduced_to: 43 - symbol: As # 44 coordinates: [ 0.614844280000000, 0.875000000000000, 0.431785370000000 ] mass: 74.921600 reduced_to: 43 - symbol: As # 45 coordinates: [ 0.114844280000000, 0.375000000000000, 0.068214630000000 ] mass: 74.921600 reduced_to: 45 - symbol: As # 46 coordinates: [ 0.114844280000000, 0.875000000000000, 0.068214630000000 ] mass: 74.921600 reduced_to: 45 - symbol: As # 47 coordinates: [ 0.885155720000000, 0.125000000000000, 0.931785370000000 ] mass: 74.921600 reduced_to: 47 - symbol: As # 48 coordinates: [ 0.885155720000000, 0.625000000000000, 0.931785370000000 ] mass: 74.921600 reduced_to: 47 - symbol: Te # 49 coordinates: [ 0.418290100000000, 0.499378695000000, 0.240866760000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 50 coordinates: [ 0.418290100000000, 0.999378695000000, 0.240866760000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 51 coordinates: [ 0.581709900000000, 0.249378695000000, 0.759133240000000 ] mass: 127.600000 reduced_to: 51 - symbol: Te # 52 coordinates: [ 0.581709900000000, 0.749378695000000, 0.759133240000000 ] mass: 127.600000 reduced_to: 51 - symbol: Te # 53 coordinates: [ 0.081709900000000, 0.000621305000000, 0.740866760000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 54 coordinates: [ 0.081709900000000, 0.500621305000000, 0.740866760000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 55 coordinates: [ 0.918290100000000, 0.250621305000000, 0.259133240000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 56 coordinates: [ 0.918290100000000, 0.750621305000000, 0.259133240000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 57 coordinates: [ 0.581709900000000, 0.000621305000000, 0.759133240000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 58 coordinates: [ 0.581709900000000, 0.500621305000000, 0.759133240000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 59 coordinates: [ 0.418290100000000, 0.250621305000000, 0.240866760000000 ] mass: 127.600000 reduced_to: 59 - symbol: Te # 60 coordinates: [ 0.418290100000000, 0.750621305000000, 0.240866760000000 ] mass: 127.600000 reduced_to: 59 - symbol: Te # 61 coordinates: [ 0.918290100000000, 0.499378695000000, 0.259133240000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 62 coordinates: [ 0.918290100000000, 0.999378695000000, 0.259133240000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 63 coordinates: [ 0.081709900000000, 0.249378695000000, 0.740866760000000 ] mass: 127.600000 reduced_to: 63 - symbol: Te # 64 coordinates: [ 0.081709900000000, 0.749378695000000, 0.740866760000000 ] mass: 127.600000 reduced_to: 63 - symbol: Te # 65 coordinates: [ 0.181186780000000, 0.495496580000000, 0.182088820000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 66 coordinates: [ 0.181186780000000, 0.995496580000000, 0.182088820000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 67 coordinates: [ 0.818813220000000, 0.245496580000000, 0.817911180000000 ] mass: 127.600000 reduced_to: 67 - symbol: Te # 68 coordinates: [ 0.818813220000000, 0.745496580000000, 0.817911180000000 ] mass: 127.600000 reduced_to: 67 - symbol: Te # 69 coordinates: [ 0.318813220000000, 0.004503420000000, 0.682088820000000 ] mass: 127.600000 reduced_to: 69 - symbol: Te # 70 coordinates: [ 0.318813220000000, 0.504503420000000, 0.682088820000000 ] mass: 127.600000 reduced_to: 69 - symbol: Te # 71 coordinates: [ 0.681186780000000, 0.254503420000000, 0.317911180000000 ] mass: 127.600000 reduced_to: 71 - symbol: Te # 72 coordinates: [ 0.681186780000000, 0.754503420000000, 0.317911180000000 ] mass: 127.600000 reduced_to: 71 - symbol: Te # 73 coordinates: [ 0.818813220000000, 0.004503420000000, 0.817911180000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 74 coordinates: [ 0.818813220000000, 0.504503420000000, 0.817911180000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 75 coordinates: [ 0.181186780000000, 0.254503420000000, 0.182088820000000 ] mass: 127.600000 reduced_to: 75 - symbol: Te # 76 coordinates: [ 0.181186780000000, 0.754503420000000, 0.182088820000000 ] mass: 127.600000 reduced_to: 75 - symbol: Te # 77 coordinates: [ 0.681186780000000, 0.495496580000000, 0.317911180000000 ] mass: 127.600000 reduced_to: 77 - symbol: Te # 78 coordinates: [ 0.681186780000000, 0.995496580000000, 0.317911180000000 ] mass: 127.600000 reduced_to: 77 - symbol: Te # 79 coordinates: [ 0.318813220000000, 0.245496580000000, 0.682088820000000 ] mass: 127.600000 reduced_to: 79 - symbol: Te # 80 coordinates: [ 0.318813220000000, 0.745496580000000, 0.682088820000000 ] mass: 127.600000 reduced_to: 79displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0207318500000000, 0.0000000000000000, 0.0006602000000000 ] - [ -0.0006424200000000, 0.0000000000000000, 0.0000294400000000 ] - [ -0.0002224900000000, -0.0005439700000000, -0.0003681800000000 ] - [ -0.0002224900000000, 0.0005439700000000, -0.0003681800000000 ] - [ 0.0005461400000000, 0.0000376300000000, 0.0000456300000000 ] - [ 0.0005461400000000, -0.0000376300000000, 0.0000456300000000 ] - [ 0.0000807800000000, 0.0000000000000000, -0.0001474100000000 ] - [ -0.0000127400000000, 0.0000000000000000, -0.0001523800000000 ] - [ 0.0001816800000000, 0.0000000000000000, 0.0001754100000000 ] - [ -0.0001371600000000, 0.0000000000000000, 0.0001462100000000 ] - [ 0.0003648500000000, 0.0001184600000000, -0.0000581600000000 ] - [ 0.0003648500000000, -0.0001184600000000, -0.0000581600000000 ] - [ 0.0002501400000000, -0.0003085500000000, 0.0001426800000000 ] - [ 0.0002501400000000, 0.0003085500000000, 0.0001426800000000 ] - [ 0.0002023000000000, 0.0000000000000000, -0.0006946500000000 ] - [ -0.0000869000000000, 0.0000000000000000, -0.0002290300000000 ] - [ 0.0031154500000000, 0.0000000000000000, 0.0022688900000000 ] - [ 0.0003215900000000, 0.0000000000000000, 0.0004760900000000 ] - [ -0.0000971400000000, -0.0002824900000000, -0.0003560100000000 ] - [ -0.0000971400000000, 0.0002824900000000, -0.0003560100000000 ] - [ -0.0000299800000000, 0.0000860300000000, 0.0002892900000000 ] - [ -0.0000299800000000, -0.0000860300000000, 0.0002892900000000 ] - [ 0.0005924000000000, 0.0000000000000000, -0.0004491500000000 ] - [ 0.0002606600000000, 0.0000000000000000, -0.0003745800000000 ] - [ -0.0007144100000000, 0.0000000000000000, -0.0004569500000000 ] - [ -0.0004946200000000, 0.0000000000000000, -0.0006029100000000 ] - [ -0.0003826700000000, -0.0000367600000000, 0.0007461500000000 ] - [ -0.0003826700000000, 0.0000367600000000, 0.0007461500000000 ] - [ 0.0004447900000000, -0.0000071000000000, -0.0006422200000000 ] - [ 0.0004447900000000, 0.0000071000000000, -0.0006422200000000 ] - [ 0.0000905600000000, 0.0000000000000000, 0.0007106900000000 ] - [ 0.0000168900000000, 0.0000000000000000, 0.0007150600000000 ] - [ 0.0010674100000000, 0.0000000000000000, 0.0004130200000000 ] - [ 0.0005457400000000, 0.0000000000000000, 0.0003804000000000 ] - [ 0.0002223400000000, 0.0001610200000000, -0.0001923400000000 ] - [ 0.0002223400000000, -0.0001610200000000, -0.0001923400000000 ] - [ -0.0002626000000000, -0.0000424000000000, 0.0003823300000000 ] - [ -0.0002626000000000, 0.0000424000000000, 0.0003823300000000 ] - [ 0.0003493100000000, 0.0000000000000000, -0.0004050600000000 ] - [ 0.0002371600000000, 0.0000000000000000, -0.0003882700000000 ] - [ 0.0065083600000000, 0.0000000000000000, -0.0038785800000000 ] - [ 0.0002506400000000, 0.0000000000000000, -0.0007395400000000 ] - [ -0.0012243800000000, 0.0009740500000000, 0.0014247300000000 ] - [ -0.0012243800000000, -0.0009740500000000, 0.0014247300000000 ] - [ -0.0004791700000000, -0.0001365700000000, -0.0007593100000000 ] - [ -0.0004791700000000, 0.0001365700000000, -0.0007593100000000 ] - [ 0.0003614200000000, 0.0000000000000000, 0.0009389200000000 ] - [ 0.0003968900000000, 0.0000000000000000, 0.0009208700000000 ] - [ 0.0005095100000000, 0.0002106800000000, -0.0004386300000000 ] - [ 0.0025410500000000, 0.0019557300000000, 0.0008309700000000 ] - [ 0.0001523300000000, 0.0003094100000000, 0.0002851200000000 ] - [ -0.0001903700000000, 0.0004941800000000, 0.0002228100000000 ] - [ -0.0006828700000000, -0.0001372400000000, -0.0004373400000000 ] - [ -0.0006345300000000, 0.0000058900000000, -0.0005044700000000 ] - [ 0.0000910900000000, -0.0002798900000000, 0.0003980600000000 ] - [ 0.0002023100000000, -0.0002341800000000, 0.0004083600000000 ] - [ 0.0001523300000000, -0.0003094100000000, 0.0002851200000000 ] - [ -0.0001903700000000, -0.0004941800000000, 0.0002228100000000 ] - [ 0.0025410500000000, -0.0019557300000000, 0.0008309700000000 ] - [ 0.0005095100000000, -0.0002106800000000, -0.0004386300000000 ] - [ 0.0002023100000000, 0.0002341800000000, 0.0004083600000000 ] - [ 0.0000910900000000, 0.0002798900000000, 0.0003980600000000 ] - [ -0.0006828700000000, 0.0001372400000000, -0.0004373400000000 ] - [ -0.0006345300000000, -0.0000058900000000, -0.0005044700000000 ] - [ 0.0000854500000000, 0.0002605500000000, -0.0000781800000000 ] - [ -0.0000473700000000, 0.0000521200000000, -0.0000751900000000 ] - [ -0.0004367600000000, 0.0001314800000000, 0.0000076900000000 ] - [ -0.0003357600000000, 0.0001957600000000, 0.0000742800000000 ] - [ -0.0007547600000000, -0.0007826800000000, 0.0003364000000000 ] - [ -0.0000114900000000, -0.0000721400000000, -0.0001046700000000 ] - [ 0.0042122000000000, 0.0015563300000000, -0.0012340300000000 ] - [ 0.0002905900000000, 0.0002878700000000, -0.0000041500000000 ] - [ -0.0004367600000000, -0.0001314800000000, 0.0000076900000000 ] - [ -0.0003357600000000, -0.0001957600000000, 0.0000742800000000 ] - [ -0.0000473700000000, -0.0000521200000000, -0.0000751900000000 ] - [ 0.0000854500000000, -0.0002605500000000, -0.0000781800000000 ] - [ 0.0002905900000000, -0.0002878700000000, -0.0000041500000000 ] - [ 0.0042122000000000, -0.0015563300000000, -0.0012340300000000 ] - [ -0.0007547600000000, 0.0007826800000000, 0.0003364000000000 ] - [ -0.0000114900000000, 0.0000721400000000, -0.0001046700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0202798400000000, 0.0000000000000000, -0.0004012500000000 ] - [ 0.0001432900000000, 0.0000000000000000, 0.0001654900000000 ] - [ 0.0007238800000000, 0.0005446600000000, 0.0001734100000000 ] - [ 0.0007238800000000, -0.0005446600000000, 0.0001734100000000 ] - [ -0.0000469800000000, -0.0000375000000000, 0.0001493500000000 ] - [ -0.0000469800000000, 0.0000375000000000, 0.0001493500000000 ] - [ -0.0005810300000000, 0.0000000000000000, -0.0000471300000000 ] - [ -0.0004875300000000, 0.0000000000000000, -0.0000422900000000 ] - [ -0.0005058200000000, 0.0000000000000000, 0.0001289300000000 ] - [ -0.0001866400000000, 0.0000000000000000, 0.0001582200000000 ] - [ -0.0000419500000000, -0.0001186100000000, -0.0002473300000000 ] - [ -0.0000419500000000, 0.0001186100000000, -0.0002473300000000 ] - [ 0.0000733400000000, 0.0003085200000000, 0.0001628200000000 ] - [ 0.0000733400000000, -0.0003085200000000, 0.0001628200000000 ] - [ -0.0005254600000000, 0.0000000000000000, 0.0003877000000000 ] - [ -0.0002366300000000, 0.0000000000000000, -0.0000753700000000 ] - [ -0.0026010100000000, 0.0000000000000000, -0.0014803200000000 ] - [ 0.0001615100000000, 0.0000000000000000, 0.0002874700000000 ] - [ -0.0003864300000000, 0.0002828500000000, -0.0004083400000000 ] - [ -0.0003864300000000, -0.0002828500000000, -0.0004083400000000 ] - [ -0.0004536100000000, -0.0000864000000000, 0.0004751600000000 ] - [ -0.0004536100000000, 0.0000864000000000, 0.0004751600000000 ] - [ -0.0001103000000000, 0.0000000000000000, -0.0003140500000000 ] - [ 0.0002223900000000, 0.0000000000000000, -0.0003888600000000 ] - [ 0.0003165700000000, 0.0000000000000000, -0.0008872700000000 ] - [ 0.0000949700000000, 0.0000000000000000, -0.0007420200000000 ] - [ 0.0007830500000000, 0.0000361600000000, 0.0005986400000000 ] - [ 0.0007830500000000, -0.0000361600000000, 0.0005986400000000 ] - [ -0.0000453900000000, 0.0000071100000000, -0.0007027200000000 ] - [ -0.0000453900000000, -0.0000071100000000, -0.0007027200000000 ] - [ -0.0004906000000000, 0.0000000000000000, 0.0006337800000000 ] - [ -0.0004173400000000, 0.0000000000000000, 0.0006296300000000 ] - [ -0.0005189800000000, 0.0000000000000000, 0.0003600500000000 ] - [ 0.0000120800000000, 0.0000000000000000, 0.0004031900000000 ] - [ -0.0007790500000000, -0.0001632600000000, -0.0005868400000000 ] - [ -0.0007790500000000, 0.0001632600000000, -0.0005868400000000 ] - [ -0.0002936100000000, 0.0000422900000000, 0.0004007400000000 ] - [ -0.0002936100000000, -0.0000422900000000, 0.0004007400000000 ] - [ 0.0002048100000000, 0.0000000000000000, -0.0003759100000000 ] - [ 0.0003188900000000, 0.0000000000000000, -0.0003939500000000 ] - [ -0.0058881700000000, 0.0000000000000000, 0.0022962300000000 ] - [ 0.0005291600000000, 0.0000000000000000, -0.0009411800000000 ] - [ 0.0004407700000000, -0.0009742900000000, 0.0002578200000000 ] - [ 0.0004407700000000, 0.0009742900000000, 0.0002578200000000 ] - [ -0.0003013400000000, 0.0001364200000000, -0.0009205200000000 ] - [ -0.0003013400000000, -0.0001364200000000, -0.0009205200000000 ] - [ 0.0004196600000000, 0.0000000000000000, 0.0007406900000000 ] - [ 0.0003829600000000, 0.0000000000000000, 0.0007589300000000 ] - [ 0.0003078400000000, 0.0001535500000000, -0.0004268400000000 ] - [ -0.0017784200000000, -0.0016444000000000, -0.0017405500000000 ] - [ -0.0009666400000000, 0.0000557300000000, 0.0005758800000000 ] - [ -0.0006273400000000, -0.0001297600000000, 0.0006415500000000 ] - [ -0.0001340500000000, -0.0002276500000000, -0.0004282300000000 ] - [ -0.0001825700000000, -0.0003712800000000, -0.0003607800000000 ] - [ 0.0007269800000000, -0.0000856700000000, 0.0004667300000000 ] - [ 0.0006154600000000, -0.0001305000000000, 0.0004569800000000 ] - [ -0.0009666400000000, -0.0000557300000000, 0.0005758800000000 ] - [ -0.0006273400000000, 0.0001297600000000, 0.0006415500000000 ] - [ -0.0017784200000000, 0.0016444000000000, -0.0017405500000000 ] - [ 0.0003078400000000, -0.0001535500000000, -0.0004268400000000 ] - [ 0.0006154600000000, 0.0001305000000000, 0.0004569800000000 ] - [ 0.0007269800000000, 0.0000856700000000, 0.0004667300000000 ] - [ -0.0001340500000000, 0.0002276500000000, -0.0004282300000000 ] - [ -0.0001825700000000, 0.0003712800000000, -0.0003607800000000 ] - [ 0.0002715400000000, 0.0000661100000000, -0.0000725900000000 ] - [ 0.0004033400000000, 0.0002742600000000, -0.0000760000000000 ] - [ 0.0000789400000000, 0.0001940300000000, 0.0001417700000000 ] - [ -0.0000211700000000, 0.0001306700000000, 0.0000762100000000 ] - [ 0.0003971600000000, 0.0004579200000000, -0.0004908600000000 ] - [ -0.0003461800000000, -0.0002550700000000, -0.0000458900000000 ] - [ -0.0037519300000000, -0.0017966400000000, 0.0013461600000000 ] - [ 0.0000660600000000, -0.0006160700000000, 0.0001539300000000 ] - [ 0.0000789400000000, -0.0001940300000000, 0.0001417700000000 ] - [ -0.0000211700000000, -0.0001306700000000, 0.0000762100000000 ] - [ 0.0004033400000000, -0.0002742600000000, -0.0000760000000000 ] - [ 0.0002715400000000, -0.0000661100000000, -0.0000725900000000 ] - [ 0.0000660600000000, 0.0006160700000000, 0.0001539300000000 ] - [ -0.0037519300000000, 0.0017966400000000, 0.0013461600000000 ] - [ 0.0003971600000000, -0.0004579200000000, -0.0004908600000000 ] - [ -0.0003461800000000, 0.0002550700000000, -0.0000458900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002777900000000, -0.0107528000000000, 0.0001268800000000 ] - [ -0.0002505900000000, 0.0003333200000000, 0.0000980900000000 ] - [ -0.0002968600000000, 0.0007702200000000, 0.0001570200000000 ] - [ 0.0007917900000000, 0.0007621800000000, -0.0003497400000000 ] - [ 0.0002881700000000, 0.0000094100000000, 0.0001027300000000 ] - [ 0.0002131100000000, 0.0000096300000000, 0.0000934300000000 ] - [ -0.0002500300000000, -0.0000365400000000, -0.0000981900000000 ] - [ -0.0002499200000000, 0.0000165200000000, -0.0000983600000000 ] - [ -0.0001612700000000, -0.0000081800000000, 0.0001526500000000 ] - [ -0.0001614500000000, 0.0000241600000000, 0.0001524600000000 ] - [ 0.0004254000000000, 0.0000777400000000, -0.0000623300000000 ] - [ -0.0001019200000000, 0.0000783400000000, -0.0002434100000000 ] - [ 0.0000644900000000, 0.0000845700000000, 0.0000823100000000 ] - [ 0.0002587700000000, 0.0000856600000000, 0.0002233900000000 ] - [ -0.0001621200000000, -0.0007905200000000, -0.0001517400000000 ] - [ -0.0001612800000000, 0.0003364000000000, -0.0001530900000000 ] - [ 0.0002371000000000, -0.0010715800000000, 0.0003785200000000 ] - [ 0.0002421000000000, 0.0003110500000000, 0.0003816500000000 ] - [ -0.0003403700000000, 0.0000685100000000, -0.0003241600000000 ] - [ -0.0001431700000000, 0.0000693300000000, -0.0004392400000000 ] - [ 0.0000113500000000, 0.0000648200000000, 0.0002838300000000 ] - [ -0.0004946600000000, 0.0000653900000000, 0.0004790900000000 ] - [ 0.0002422900000000, -0.0000311200000000, -0.0003814600000000 ] - [ 0.0002419800000000, 0.0000248800000000, -0.0003813700000000 ] - [ -0.0002003600000000, -0.0005854800000000, -0.0006724700000000 ] - [ -0.0002006100000000, 0.0001927000000000, -0.0006728100000000 ] - [ 0.0000399500000000, 0.0004486500000000, 0.0005257400000000 ] - [ 0.0003603500000000, 0.0004463400000000, 0.0008166300000000 ] - [ 0.0001995800000000, 0.0000082500000000, -0.0006729500000000 ] - [ 0.0002019400000000, 0.0000085100000000, -0.0006728900000000 ] - [ -0.0002001700000000, -0.0000671400000000, 0.0006726100000000 ] - [ -0.0002001400000000, 0.0000425600000000, 0.0006727500000000 ] - [ 0.0002800400000000, -0.0020508600000000, 0.0003907500000000 ] - [ 0.0002755400000000, 0.0002391800000000, 0.0003918000000000 ] - [ -0.0002688900000000, 0.0007478200000000, -0.0003769500000000 ] - [ -0.0002855700000000, 0.0007467500000000, -0.0004042100000000 ] - [ -0.0002754000000000, 0.0000093500000000, 0.0003910400000000 ] - [ -0.0002713400000000, 0.0000096600000000, 0.0003899700000000 ] - [ 0.0002738700000000, -0.0002623400000000, -0.0003861600000000 ] - [ 0.0002727100000000, 0.0001037300000000, -0.0003889900000000 ] - [ 0.0003969900000000, -0.0005978900000000, -0.0008404200000000 ] - [ 0.0003872200000000, 0.0001007500000000, -0.0008374600000000 ] - [ -0.0002663100000000, 0.0010669300000000, 0.0011029900000000 ] - [ -0.0005051600000000, 0.0010629600000000, 0.0005757300000000 ] - [ -0.0004237800000000, 0.0000297000000000, -0.0008628200000000 ] - [ -0.0003534500000000, 0.0000299900000000, -0.0008104100000000 ] - [ 0.0003878500000000, -0.0003010200000000, 0.0008375900000000 ] - [ 0.0003884900000000, 0.0001908400000000, 0.0008377100000000 ] - [ 0.0005247500000000, -0.0000582400000000, -0.0004665400000000 ] - [ 0.0014042500000000, 0.0028685000000000, 0.0008335800000000 ] - [ -0.0004799100000000, 0.0005386000000000, 0.0009040200000000 ] - [ -0.0006616400000000, -0.0003170800000000, 0.0005736500000000 ] - [ -0.0004040700000000, -0.0001811000000000, -0.0004366300000000 ] - [ -0.0004210700000000, -0.0001785900000000, -0.0004311300000000 ] - [ 0.0003280800000000, -0.0000056400000000, 0.0005099500000000 ] - [ 0.0004328200000000, -0.0003235200000000, 0.0003791400000000 ] - [ -0.0003283000000000, 0.0001566800000000, -0.0000165400000000 ] - [ -0.0001540200000000, -0.0006808800000000, 0.0002909600000000 ] - [ -0.0006401000000000, 0.0025392600000000, -0.0017324700000000 ] - [ 0.0002922300000000, -0.0004225500000000, -0.0003978500000000 ] - [ 0.0003828800000000, 0.0000415300000000, 0.0004852100000000 ] - [ 0.0004885700000000, 0.0003594300000000, 0.0003545000000000 ] - [ -0.0004125900000000, 0.0001832100000000, -0.0004279600000000 ] - [ -0.0003956200000000, 0.0001852900000000, -0.0004335600000000 ] - [ 0.0002077100000000, 0.0001332600000000, -0.0000748400000000 ] - [ 0.0000574100000000, 0.0001679700000000, -0.0000914900000000 ] - [ -0.0003398700000000, 0.0003979200000000, 0.0000682400000000 ] - [ -0.0001078200000000, -0.0000092800000000, 0.0000789100000000 ] - [ -0.0000803500000000, 0.0001914600000000, -0.0002855000000000 ] - [ -0.0001272500000000, -0.0002847800000000, -0.0000464800000000 ] - [ 0.0025584300000000, 0.0015775500000000, -0.0008649600000000 ] - [ 0.0004879200000000, -0.0005721600000000, -0.0000031700000000 ] - [ -0.0000175800000000, 0.0000718600000000, 0.0000827800000000 ] - [ -0.0002499800000000, -0.0003344900000000, 0.0000724100000000 ] - [ 0.0002991200000000, -0.0001572200000000, -0.0000602800000000 ] - [ 0.0001494800000000, -0.0001923400000000, -0.0000769300000000 ] - [ -0.0001332100000000, -0.0002450000000000, 0.0001535300000000 ] - [ -0.0021306300000000, 0.0018681600000000, 0.0009939600000000 ] - [ -0.0002788100000000, 0.0005198000000000, 0.0001348600000000 ] - [ -0.0002292800000000, 0.0000410600000000, -0.0001051000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002981100000000, 0.0000000000000000, -0.0093952700000000 ] - [ -0.0003191900000000, 0.0000000000000000, 0.0000067400000000 ] - [ -0.0000199000000000, 0.0002535200000000, -0.0002767500000000 ] - [ -0.0000199000000000, -0.0002535200000000, -0.0002767500000000 ] - [ 0.0003032700000000, -0.0000047100000000, 0.0001091700000000 ] - [ 0.0003032700000000, 0.0000047100000000, 0.0001091700000000 ] - [ -0.0002010100000000, 0.0000000000000000, -0.0000905800000000 ] - [ -0.0001960400000000, 0.0000000000000000, -0.0001005100000000 ] - [ -0.0001235100000000, 0.0000000000000000, 0.0000820600000000 ] - [ -0.0001537700000000, 0.0000000000000000, 0.0001369800000000 ] - [ 0.0001680100000000, -0.0000618000000000, -0.0002332400000000 ] - [ 0.0001680100000000, 0.0000618000000000, -0.0002332400000000 ] - [ 0.0001997500000000, -0.0000759700000000, 0.0002806000000000 ] - [ 0.0001997500000000, 0.0000759700000000, 0.0002806000000000 ] - [ -0.0008310000000000, 0.0000000000000000, 0.0006876200000000 ] - [ -0.0001321300000000, 0.0000000000000000, -0.0000917500000000 ] - [ 0.0019298500000000, 0.0000000000000000, 0.0005027900000000 ] - [ 0.0003018600000000, 0.0000000000000000, 0.0003260400000000 ] - [ -0.0001576300000000, -0.0001080400000000, -0.0004711200000000 ] - [ -0.0001576300000000, 0.0001080400000000, -0.0004711200000000 ] - [ -0.0002337600000000, -0.0000301200000000, 0.0004656400000000 ] - [ -0.0002337600000000, 0.0000301200000000, 0.0004656400000000 ] - [ 0.0002603200000000, 0.0000000000000000, -0.0003279200000000 ] - [ 0.0002484400000000, 0.0000000000000000, -0.0003655900000000 ] - [ -0.0000832000000000, 0.0000000000000000, 0.0005670200000000 ] - [ -0.0002943400000000, 0.0000000000000000, -0.0006195600000000 ] - [ 0.0000746000000000, -0.0003205200000000, 0.0009986300000000 ] - [ 0.0000746000000000, 0.0003205200000000, 0.0009986300000000 ] - [ 0.0002447800000000, -0.0000113600000000, -0.0006826700000000 ] - [ 0.0002447800000000, 0.0000113600000000, -0.0006826700000000 ] - [ -0.0001702000000000, 0.0000000000000000, 0.0006591900000000 ] - [ -0.0001665600000000, 0.0000000000000000, 0.0006686600000000 ] - [ 0.0011341800000000, 0.0000000000000000, 0.0004009700000000 ] - [ 0.0004040500000000, 0.0000000000000000, 0.0003754900000000 ] - [ -0.0000670500000000, 0.0007238900000000, -0.0010559600000000 ] - [ -0.0000670500000000, -0.0007238900000000, -0.0010559600000000 ] - [ -0.0002971600000000, -0.0000010900000000, 0.0004234600000000 ] - [ -0.0002971600000000, 0.0000010900000000, 0.0004234600000000 ] - [ 0.0002522200000000, 0.0000000000000000, -0.0003537800000000 ] - [ 0.0002911400000000, 0.0000000000000000, -0.0003896000000000 ] - [ -0.0024923200000000, 0.0000000000000000, -0.0005047300000000 ] - [ 0.0003770000000000, 0.0000000000000000, -0.0008699500000000 ] - [ 0.0001300100000000, -0.0002607400000000, 0.0005141600000000 ] - [ 0.0001300100000000, 0.0002607400000000, 0.0005141600000000 ] - [ -0.0003850800000000, -0.0000608100000000, -0.0008186600000000 ] - [ -0.0003850800000000, 0.0000608100000000, -0.0008186600000000 ] - [ 0.0003823300000000, 0.0000000000000000, 0.0009092400000000 ] - [ 0.0003179000000000, 0.0000000000000000, 0.0008615400000000 ] - [ 0.0004038800000000, 0.0002134800000000, -0.0004130800000000 ] - [ 0.0012346900000000, 0.0012992700000000, 0.0007730700000000 ] - [ -0.0005365300000000, 0.0005421200000000, 0.0021718800000000 ] - [ -0.0003468900000000, 0.0004466900000000, 0.0005573700000000 ] - [ -0.0004326200000000, -0.0001838300000000, -0.0004462800000000 ] - [ -0.0004267100000000, -0.0001694200000000, -0.0004590500000000 ] - [ 0.0004196700000000, -0.0001988500000000, 0.0004000800000000 ] - [ 0.0003752000000000, -0.0002132600000000, 0.0004101000000000 ] - [ -0.0005365300000000, -0.0005421200000000, 0.0021718800000000 ] - [ -0.0003468900000000, -0.0004466900000000, 0.0005573700000000 ] - [ 0.0012346900000000, -0.0012992700000000, 0.0007730700000000 ] - [ 0.0004038800000000, -0.0002134800000000, -0.0004130800000000 ] - [ 0.0003752000000000, 0.0002132600000000, 0.0004101000000000 ] - [ 0.0004196700000000, 0.0001988500000000, 0.0004000800000000 ] - [ -0.0004326200000000, 0.0001838300000000, -0.0004462800000000 ] - [ -0.0004267100000000, 0.0001694200000000, -0.0004590500000000 ] - [ 0.0001504900000000, 0.0001880100000000, -0.0000855500000000 ] - [ 0.0000825500000000, 0.0001124400000000, -0.0001112100000000 ] - [ -0.0002792000000000, 0.0001585100000000, 0.0000220300000000 ] - [ -0.0001930000000000, 0.0001956100000000, 0.0000603000000000 ] - [ 0.0000774200000000, -0.0000765500000000, 0.0000548900000000 ] - [ -0.0001322600000000, -0.0001650400000000, -0.0000439100000000 ] - [ -0.0010054200000000, -0.0006156700000000, 0.0011511500000000 ] - [ 0.0001318100000000, -0.0002859800000000, 0.0001674300000000 ] - [ -0.0002792000000000, -0.0001585100000000, 0.0000220300000000 ] - [ -0.0001930000000000, -0.0001956100000000, 0.0000603000000000 ] - [ 0.0000825500000000, -0.0001124400000000, -0.0001112100000000 ] - [ 0.0001504900000000, -0.0001880100000000, -0.0000855500000000 ] - [ 0.0001318100000000, 0.0002859800000000, 0.0001674300000000 ] - [ -0.0010054200000000, 0.0006156700000000, 0.0011511500000000 ] - [ 0.0000774200000000, 0.0000765500000000, 0.0000548900000000 ] - [ -0.0001322600000000, 0.0001650400000000, -0.0000439100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007596600000000, 0.0000000000000000, 0.0094844600000000 ] - [ -0.0001817000000000, 0.0000000000000000, 0.0001935800000000 ] - [ 0.0005200000000000, -0.0002532400000000, 0.0000745200000000 ] - [ 0.0005200000000000, 0.0002532400000000, 0.0000745200000000 ] - [ 0.0001979100000000, 0.0000047000000000, 0.0000917700000000 ] - [ 0.0001979100000000, -0.0000047000000000, 0.0000917700000000 ] - [ -0.0002995700000000, 0.0000000000000000, -0.0001098500000000 ] - [ -0.0003045600000000, 0.0000000000000000, -0.0001001300000000 ] - [ -0.0001971700000000, 0.0000000000000000, 0.0002221900000000 ] - [ -0.0001668600000000, 0.0000000000000000, 0.0001671200000000 ] - [ 0.0001524300000000, 0.0000614400000000, -0.0000713100000000 ] - [ 0.0001524300000000, -0.0000614400000000, -0.0000713100000000 ] - [ 0.0001204700000000, 0.0000753000000000, 0.0000238100000000 ] - [ 0.0001204700000000, -0.0000753000000000, 0.0000238100000000 ] - [ 0.0005198000000000, 0.0000000000000000, -0.0009954900000000 ] - [ -0.0001879900000000, 0.0000000000000000, -0.0002114400000000 ] - [ -0.0014380900000000, 0.0000000000000000, 0.0002502600000000 ] - [ 0.0001854900000000, 0.0000000000000000, 0.0004337900000000 ] - [ -0.0003294300000000, 0.0001074700000000, -0.0002894500000000 ] - [ -0.0003294300000000, -0.0001074700000000, -0.0002894500000000 ] - [ -0.0002535000000000, 0.0000299400000000, 0.0002955000000000 ] - [ -0.0002535000000000, -0.0000299400000000, 0.0002955000000000 ] - [ 0.0002271300000000, 0.0000000000000000, -0.0004320500000000 ] - [ 0.0002384900000000, 0.0000000000000000, -0.0003944900000000 ] - [ -0.0003350000000000, 0.0000000000000000, -0.0019174000000000 ] - [ -0.0001137400000000, 0.0000000000000000, -0.0007287800000000 ] - [ 0.0003331500000000, 0.0003227500000000, 0.0003507000000000 ] - [ 0.0003331500000000, -0.0003227500000000, 0.0003507000000000 ] - [ 0.0001630800000000, 0.0000113100000000, -0.0006659700000000 ] - [ 0.0001630800000000, -0.0000113100000000, -0.0006659700000000 ] - [ -0.0002373100000000, 0.0000000000000000, 0.0006892000000000 ] - [ -0.0002408400000000, 0.0000000000000000, 0.0006798300000000 ] - [ -0.0005651400000000, 0.0000000000000000, 0.0004036000000000 ] - [ 0.0001498100000000, 0.0000000000000000, 0.0004117500000000 ] - [ -0.0004924000000000, -0.0007208400000000, 0.0002577500000000 ] - [ -0.0004924000000000, 0.0007208400000000, 0.0002577500000000 ] - [ -0.0002532200000000, 0.0000009900000000, 0.0003625300000000 ] - [ -0.0002532200000000, -0.0000009900000000, 0.0003625300000000 ] - [ 0.0002979200000000, 0.0000000000000000, -0.0004322600000000 ] - [ 0.0002668700000000, 0.0000000000000000, -0.0004091400000000 ] - [ 0.0032368200000000, 0.0000000000000000, -0.0011867900000000 ] - [ 0.0003989500000000, 0.0000000000000000, -0.0008104400000000 ] - [ -0.0009021700000000, 0.0002576700000000, 0.0011687700000000 ] - [ -0.0009021700000000, -0.0002576700000000, 0.0011687700000000 ] - [ -0.0003922300000000, 0.0000603600000000, -0.0008604900000000 ] - [ -0.0003922300000000, -0.0000603600000000, -0.0008604900000000 ] - [ 0.0003931400000000, 0.0000000000000000, 0.0007709500000000 ] - [ 0.0004556400000000, 0.0000000000000000, 0.0008283600000000 ] - [ 0.0004144500000000, 0.0001517200000000, -0.0004556300000000 ] - [ -0.0004420500000000, -0.0009530600000000, -0.0016489900000000 ] - [ -0.0002673600000000, -0.0001355200000000, -0.0012397600000000 ] - [ -0.0004696700000000, -0.0000791500000000, 0.0003115000000000 ] - [ -0.0003856100000000, -0.0001815900000000, -0.0004224200000000 ] - [ -0.0003915600000000, -0.0001955500000000, -0.0004094100000000 ] - [ 0.0003981100000000, -0.0001669900000000, 0.0004686600000000 ] - [ 0.0004415300000000, -0.0001534300000000, 0.0004583200000000 ] - [ -0.0002673600000000, 0.0001355200000000, -0.0012397600000000 ] - [ -0.0004696700000000, 0.0000791500000000, 0.0003115000000000 ] - [ -0.0004420500000000, 0.0009530600000000, -0.0016489900000000 ] - [ 0.0004144500000000, -0.0001517200000000, -0.0004556300000000 ] - [ 0.0004415300000000, 0.0001534300000000, 0.0004583200000000 ] - [ 0.0003981100000000, 0.0001669900000000, 0.0004686600000000 ] - [ -0.0003856100000000, 0.0001815900000000, -0.0004224200000000 ] - [ -0.0003915600000000, 0.0001955500000000, -0.0004094100000000 ] - [ 0.0002088500000000, 0.0001420900000000, -0.0000644400000000 ] - [ 0.0002760100000000, 0.0002171300000000, -0.0000388700000000 ] - [ -0.0000814900000000, 0.0001714000000000, 0.0001278400000000 ] - [ -0.0001669900000000, 0.0001349200000000, 0.0000894900000000 ] - [ -0.0004384000000000, -0.0002562700000000, -0.0002031300000000 ] - [ -0.0002267900000000, -0.0001649200000000, -0.0001059100000000 ] - [ 0.0013680200000000, 0.0002894400000000, -0.0009932100000000 ] - [ 0.0002276100000000, -0.0000454800000000, -0.0000155900000000 ] - [ -0.0000814900000000, -0.0001714000000000, 0.0001278400000000 ] - [ -0.0001669900000000, -0.0001349200000000, 0.0000894900000000 ] - [ 0.0002760100000000, -0.0002171300000000, -0.0000388700000000 ] - [ 0.0002088500000000, -0.0001420900000000, -0.0000644400000000 ] - [ 0.0002276100000000, 0.0000454800000000, -0.0000155900000000 ] - [ 0.0013680200000000, -0.0002894400000000, -0.0009932100000000 ] - [ -0.0004384000000000, 0.0002562700000000, -0.0002031300000000 ] - [ -0.0002267900000000, 0.0001649200000000, -0.0001059100000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000940200000000, 0.0000000000000000, 0.0001327400000000 ] - [ -0.0002252900000000, 0.0000000000000000, 0.0001022900000000 ] - [ 0.0004532600000000, 0.0002638300000000, -0.0000873300000000 ] - [ 0.0004532600000000, -0.0002638300000000, -0.0000873300000000 ] - [ 0.0003390800000000, -0.0000971700000000, 0.0000558800000000 ] - [ 0.0003390800000000, 0.0000971700000000, 0.0000558800000000 ] - [ 0.0001142800000000, 0.0000000000000000, 0.0005763900000000 ] - [ -0.0001746900000000, 0.0000000000000000, -0.0001235900000000 ] - [ -0.0107638600000000, 0.0000000000000000, 0.0012048900000000 ] - [ -0.0003574000000000, 0.0000000000000000, 0.0001060800000000 ] - [ 0.0003113300000000, -0.0000538700000000, -0.0001587800000000 ] - [ 0.0003113300000000, 0.0000538700000000, -0.0001587800000000 ] - [ -0.0002220500000000, 0.0002700600000000, 0.0002833900000000 ] - [ -0.0002220500000000, -0.0002700600000000, 0.0002833900000000 ] - [ 0.0000337200000000, 0.0000000000000000, -0.0001562600000000 ] - [ -0.0000679700000000, 0.0000000000000000, -0.0001578300000000 ] - [ 0.0004132800000000, 0.0000000000000000, 0.0004029800000000 ] - [ 0.0003298400000000, 0.0000000000000000, 0.0003979300000000 ] - [ -0.0004962500000000, 0.0005888300000000, -0.0006349900000000 ] - [ -0.0004962500000000, -0.0005888300000000, -0.0006349900000000 ] - [ -0.0001024800000000, -0.0000539000000000, 0.0003690700000000 ] - [ -0.0001024800000000, 0.0000539000000000, 0.0003690700000000 ] - [ -0.0009765500000000, 0.0000000000000000, 0.0004806600000000 ] - [ 0.0000559900000000, 0.0000000000000000, -0.0003319200000000 ] - [ 0.0000833200000000, 0.0000000000000000, -0.0006518800000000 ] - [ -0.0002083800000000, 0.0000000000000000, -0.0006989400000000 ] - [ 0.0003906200000000, 0.0001424700000000, 0.0006505900000000 ] - [ 0.0003906200000000, -0.0001424700000000, 0.0006505900000000 ] - [ 0.0003186700000000, -0.0004895500000000, -0.0005092800000000 ] - [ 0.0003186700000000, 0.0004895500000000, -0.0005092800000000 ] - [ 0.0006880600000000, 0.0000000000000000, 0.0003649000000000 ] - [ -0.0001126600000000, 0.0000000000000000, 0.0006741500000000 ] - [ 0.0033251900000000, 0.0000000000000000, -0.0020827400000000 ] - [ 0.0000537700000000, 0.0000000000000000, 0.0003693600000000 ] - [ -0.0002773700000000, 0.0001289100000000, -0.0003973100000000 ] - [ -0.0002773700000000, -0.0001289100000000, -0.0003973100000000 ] - [ -0.0011123000000000, -0.0007589000000000, 0.0007022400000000 ] - [ -0.0011123000000000, 0.0007589000000000, 0.0007022400000000 ] - [ 0.0003312000000000, 0.0000000000000000, -0.0003817100000000 ] - [ 0.0003352900000000, 0.0000000000000000, -0.0003940000000000 ] - [ 0.0015753200000000, 0.0000000000000000, -0.0006842100000000 ] - [ 0.0006786400000000, 0.0000000000000000, -0.0008787000000000 ] - [ -0.0004454300000000, 0.0000207900000000, 0.0007765500000000 ] - [ -0.0004454300000000, -0.0000207900000000, 0.0007765500000000 ] - [ 0.0002131300000000, -0.0000221000000000, -0.0011327500000000 ] - [ 0.0002131300000000, 0.0000221000000000, -0.0011327500000000 ] - [ 0.0003492000000000, 0.0000000000000000, 0.0009482800000000 ] - [ 0.0003101100000000, 0.0000000000000000, 0.0008661100000000 ] - [ 0.0005795800000000, 0.0000381300000000, -0.0004501600000000 ] - [ -0.0001355100000000, 0.0007395700000000, -0.0001160300000000 ] - [ -0.0006861300000000, 0.0000093700000000, 0.0004914700000000 ] - [ -0.0004832300000000, 0.0002254400000000, 0.0004492200000000 ] - [ 0.0020787800000000, 0.0003375400000000, -0.0016221500000000 ] - [ -0.0003446700000000, 0.0000341800000000, -0.0004157000000000 ] - [ 0.0000042300000000, -0.0001207200000000, 0.0002778600000000 ] - [ 0.0002970900000000, -0.0002563400000000, 0.0004106600000000 ] - [ -0.0006861300000000, -0.0000093700000000, 0.0004914700000000 ] - [ -0.0004832300000000, -0.0002254400000000, 0.0004492200000000 ] - [ -0.0001355100000000, -0.0007395700000000, -0.0001160300000000 ] - [ 0.0005795800000000, -0.0000381300000000, -0.0004501600000000 ] - [ 0.0002970900000000, 0.0002563400000000, 0.0004106600000000 ] - [ 0.0000042300000000, 0.0001207200000000, 0.0002778600000000 ] - [ 0.0020787800000000, -0.0003375400000000, -0.0016221500000000 ] - [ -0.0003446700000000, -0.0000341800000000, -0.0004157000000000 ] - [ 0.0003092300000000, 0.0004402900000000, 0.0002415700000000 ] - [ 0.0003807600000000, 0.0001585600000000, -0.0004211500000000 ] - [ -0.0003465600000000, 0.0002138500000000, 0.0000412200000000 ] - [ -0.0002441700000000, 0.0001653400000000, 0.0000689000000000 ] - [ 0.0013513500000000, -0.0013596000000000, 0.0009426300000000 ] - [ -0.0001670700000000, -0.0002181900000000, -0.0000339400000000 ] - [ 0.0000075000000000, -0.0001691700000000, 0.0000688900000000 ] - [ 0.0000864000000000, -0.0001120100000000, 0.0001069700000000 ] - [ -0.0003465600000000, -0.0002138500000000, 0.0000412200000000 ] - [ -0.0002441700000000, -0.0001653400000000, 0.0000689000000000 ] - [ 0.0003807600000000, -0.0001585600000000, -0.0004211500000000 ] - [ 0.0003092300000000, -0.0004402900000000, 0.0002415700000000 ] - [ 0.0000864000000000, 0.0001120100000000, 0.0001069700000000 ] - [ 0.0000075000000000, 0.0001691700000000, 0.0000688900000000 ] - [ 0.0013513500000000, 0.0013596000000000, 0.0009426300000000 ] - [ -0.0001670700000000, 0.0002181900000000, -0.0000339400000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005930800000000, 0.0000000000000000, 0.0000615900000000 ] - [ -0.0002742800000000, 0.0000000000000000, 0.0000917400000000 ] - [ 0.0000461200000000, -0.0002635100000000, -0.0001056000000000 ] - [ 0.0000461200000000, 0.0002635100000000, -0.0001056000000000 ] - [ 0.0001619200000000, 0.0000970800000000, 0.0001376700000000 ] - [ 0.0001619200000000, -0.0000970800000000, 0.0001376700000000 ] - [ -0.0006131100000000, 0.0000000000000000, -0.0007768300000000 ] - [ -0.0003240000000000, 0.0000000000000000, -0.0000702400000000 ] - [ 0.0103159200000000, 0.0000000000000000, -0.0010214600000000 ] - [ 0.0000327100000000, 0.0000000000000000, 0.0001982100000000 ] - [ 0.0000127500000000, 0.0000542800000000, -0.0001452200000000 ] - [ 0.0000127500000000, -0.0000542800000000, -0.0001452200000000 ] - [ 0.0005448000000000, -0.0002696900000000, 0.0000211600000000 ] - [ 0.0005448000000000, 0.0002696900000000, 0.0000211600000000 ] - [ -0.0003576200000000, 0.0000000000000000, -0.0001481900000000 ] - [ -0.0002557400000000, 0.0000000000000000, -0.0001465300000000 ] - [ 0.0000695700000000, 0.0000000000000000, 0.0003609100000000 ] - [ 0.0001532200000000, 0.0000000000000000, 0.0003658800000000 ] - [ 0.0000109400000000, -0.0005871300000000, -0.0001289600000000 ] - [ 0.0000109400000000, 0.0005871300000000, -0.0001289600000000 ] - [ -0.0003804700000000, 0.0000544100000000, 0.0003944700000000 ] - [ -0.0003804700000000, -0.0000544100000000, 0.0003944700000000 ] - [ 0.0014527400000000, 0.0000000000000000, -0.0012549800000000 ] - [ 0.0004263400000000, 0.0000000000000000, -0.0004311600000000 ] - [ -0.0004825800000000, 0.0000000000000000, -0.0006929500000000 ] - [ -0.0001915000000000, 0.0000000000000000, -0.0006454000000000 ] - [ 0.0000093100000000, -0.0001419300000000, 0.0006937000000000 ] - [ 0.0000093100000000, 0.0001419300000000, 0.0006937000000000 ] - [ 0.0000820800000000, 0.0004919700000000, -0.0008349700000000 ] - [ 0.0000820800000000, -0.0004919700000000, -0.0008349700000000 ] - [ -0.0010975200000000, 0.0000000000000000, 0.0009840000000000 ] - [ -0.0002860800000000, 0.0000000000000000, 0.0006703800000000 ] - [ -0.0027008900000000, 0.0000000000000000, 0.0028046700000000 ] - [ 0.0004975400000000, 0.0000000000000000, 0.0004108700000000 ] - [ -0.0002752700000000, -0.0001287100000000, -0.0003843500000000 ] - [ -0.0002752700000000, 0.0001287100000000, -0.0003843500000000 ] - [ 0.0005580500000000, 0.0007598000000000, 0.0000789500000000 ] - [ 0.0005580500000000, -0.0007598000000000, 0.0000789500000000 ] - [ 0.0002179100000000, 0.0000000000000000, -0.0003982700000000 ] - [ 0.0002154000000000, 0.0000000000000000, -0.0003878400000000 ] - [ -0.0007757600000000, 0.0000000000000000, -0.0009810100000000 ] - [ 0.0001041000000000, 0.0000000000000000, -0.0008012500000000 ] - [ -0.0003359400000000, -0.0000204600000000, 0.0009035800000000 ] - [ -0.0003359400000000, 0.0000204600000000, 0.0009035800000000 ] - [ -0.0009900000000000, 0.0000171400000000, -0.0005482700000000 ] - [ -0.0009900000000000, -0.0000171400000000, -0.0005482700000000 ] - [ 0.0004347900000000, 0.0000000000000000, 0.0007293600000000 ] - [ 0.0004739600000000, 0.0000000000000000, 0.0008136700000000 ] - [ 0.0002392700000000, 0.0003259000000000, -0.0004159300000000 ] - [ 0.0009517400000000, -0.0003720700000000, -0.0007470100000000 ] - [ -0.0001316800000000, 0.0003549400000000, 0.0003749500000000 ] - [ -0.0003345900000000, 0.0001393900000000, 0.0004170200000000 ] - [ -0.0029220200000000, -0.0007359600000000, 0.0007936600000000 ] - [ -0.0004729100000000, -0.0003972900000000, -0.0004520700000000 ] - [ 0.0008162700000000, -0.0002451100000000, 0.0005906100000000 ] - [ 0.0005204200000000, -0.0001081000000000, 0.0004556700000000 ] - [ -0.0001316800000000, -0.0003549400000000, 0.0003749500000000 ] - [ -0.0003345900000000, -0.0001393900000000, 0.0004170200000000 ] - [ 0.0009517400000000, 0.0003720700000000, -0.0007470100000000 ] - [ 0.0002392700000000, -0.0003259000000000, -0.0004159300000000 ] - [ 0.0005204200000000, 0.0001081000000000, 0.0004556700000000 ] - [ 0.0008162700000000, 0.0002451100000000, 0.0005906100000000 ] - [ -0.0029220200000000, 0.0007359600000000, 0.0007936600000000 ] - [ -0.0004729100000000, 0.0003972900000000, -0.0004520700000000 ] - [ 0.0000486000000000, -0.0001108500000000, -0.0003913600000000 ] - [ -0.0000301100000000, 0.0001741000000000, 0.0002813700000000 ] - [ -0.0000108100000000, 0.0001132900000000, 0.0001093100000000 ] - [ -0.0001134000000000, 0.0001622300000000, 0.0000814000000000 ] - [ -0.0016560000000000, 0.0009925100000000, -0.0010560500000000 ] - [ -0.0001898100000000, -0.0001099700000000, -0.0001160200000000 ] - [ 0.0003495300000000, -0.0001586800000000, 0.0000812700000000 ] - [ 0.0002702100000000, -0.0002149800000000, 0.0000434300000000 ] - [ -0.0000108100000000, -0.0001132900000000, 0.0001093100000000 ] - [ -0.0001134000000000, -0.0001622300000000, 0.0000814000000000 ] - [ -0.0000301100000000, -0.0001741000000000, 0.0002813700000000 ] - [ 0.0000486000000000, 0.0001108500000000, -0.0003913600000000 ] - [ 0.0002702100000000, 0.0002149800000000, 0.0000434300000000 ] - [ 0.0003495300000000, 0.0001586800000000, 0.0000812700000000 ] - [ -0.0016560000000000, -0.0009925100000000, -0.0010560500000000 ] - [ -0.0001898100000000, 0.0001099700000000, -0.0001160200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002497300000000, -0.0000080000000000, 0.0000975200000000 ] - [ -0.0002495700000000, 0.0000242600000000, 0.0000976000000000 ] - [ 0.0003683300000000, 0.0000779000000000, -0.0001588400000000 ] - [ 0.0001312500000000, 0.0000783500000000, -0.0000355900000000 ] - [ -0.0000586500000000, 0.0000852500000000, 0.0001730800000000 ] - [ 0.0005584700000000, 0.0000852500000000, 0.0000218900000000 ] - [ -0.0002495600000000, -0.0007904200000000, -0.0000961100000000 ] - [ -0.0002498400000000, 0.0003364700000000, -0.0000975500000000 ] - [ -0.0001552600000000, -0.0096966500000000, 0.0001575700000000 ] - [ -0.0001616800000000, 0.0003913300000000, 0.0001523400000000 ] - [ 0.0001074900000000, 0.0000131300000000, -0.0001508500000000 ] - [ 0.0002156200000000, 0.0000131400000000, -0.0001534300000000 ] - [ 0.0004319300000000, 0.0001733100000000, 0.0001339800000000 ] - [ -0.0001078000000000, 0.0001733700000000, 0.0001697700000000 ] - [ -0.0001616000000000, -0.0000347300000000, -0.0001521500000000 ] - [ -0.0001615600000000, 0.0000266700000000, -0.0001521300000000 ] - [ 0.0002418300000000, -0.0000355200000000, 0.0003815500000000 ] - [ 0.0002418500000000, 0.0000265300000000, 0.0003815300000000 ] - [ 0.0004740500000000, 0.0009185800000000, -0.0005468500000000 ] - [ -0.0009496900000000, 0.0009075800000000, -0.0002193400000000 ] - [ -0.0002755600000000, 0.0000109200000000, 0.0003812300000000 ] - [ -0.0002082100000000, 0.0000109800000000, 0.0003819300000000 ] - [ 0.0002414700000000, -0.0015193400000000, -0.0003886700000000 ] - [ 0.0002418800000000, 0.0003470500000000, -0.0003815800000000 ] - [ -0.0002001200000000, -0.0002606200000000, -0.0006724200000000 ] - [ -0.0002001700000000, 0.0000658800000000, -0.0006724400000000 ] - [ 0.0001996200000000, -0.0000027400000000, 0.0006972000000000 ] - [ 0.0002008500000000, -0.0000024900000000, 0.0006478100000000 ] - [ -0.0003843700000000, 0.0006522000000000, -0.0008484000000000 ] - [ 0.0007789600000000, 0.0006455300000000, -0.0004980100000000 ] - [ -0.0001995800000000, -0.0004326800000000, 0.0006723500000000 ] - [ -0.0002001000000000, 0.0002100400000000, 0.0006726700000000 ] - [ 0.0002710700000000, -0.0004145100000000, 0.0003873500000000 ] - [ 0.0002703700000000, 0.0001398600000000, 0.0003833400000000 ] - [ -0.0002859600000000, 0.0000274600000000, -0.0003874300000000 ] - [ -0.0002624700000000, 0.0000277300000000, -0.0003874900000000 ] - [ -0.0001150900000000, 0.0008452700000000, 0.0002325300000000 ] - [ -0.0004306200000000, 0.0008414200000000, 0.0005404100000000 ] - [ 0.0002697000000000, -0.0003802400000000, -0.0003835800000000 ] - [ 0.0002719500000000, 0.0002198400000000, -0.0003856700000000 ] - [ 0.0003853600000000, -0.0018189100000000, -0.0008392900000000 ] - [ 0.0003914400000000, 0.0002630900000000, -0.0008379000000000 ] - [ -0.0003962500000000, 0.0000063800000000, 0.0008394700000000 ] - [ -0.0003842900000000, 0.0000064200000000, 0.0008372900000000 ] - [ -0.0005260100000000, 0.0011048800000000, -0.0004661300000000 ] - [ -0.0002477200000000, 0.0011060300000000, -0.0012142200000000 ] - [ 0.0003903100000000, -0.0001495700000000, 0.0008373500000000 ] - [ 0.0003896500000000, 0.0000968000000000, 0.0008387600000000 ] - [ 0.0003606000000000, -0.0000004300000000, -0.0004836200000000 ] - [ 0.0003763400000000, 0.0005325800000000, -0.0002170000000000 ] - [ -0.0004584900000000, 0.0001759100000000, 0.0004369500000000 ] - [ -0.0004005000000000, 0.0001601400000000, 0.0004415000000000 ] - [ 0.0004641600000000, 0.0007814800000000, -0.0012790600000000 ] - [ -0.0001363900000000, -0.0007453900000000, -0.0001227800000000 ] - [ 0.0007075100000000, 0.0000934200000000, 0.0005023200000000 ] - [ 0.0002708200000000, -0.0003910100000000, 0.0003972800000000 ] - [ -0.0003588500000000, -0.0001894600000000, 0.0004291100000000 ] - [ -0.0004172300000000, -0.0002049600000000, 0.0004246700000000 ] - [ 0.0004435200000000, 0.0001696200000000, -0.0006490900000000 ] - [ 0.0004565500000000, -0.0003659700000000, -0.0003821200000000 ] - [ 0.0005470900000000, -0.0000258600000000, 0.0004687700000000 ] - [ 0.0001107800000000, 0.0004579400000000, 0.0003640400000000 ] - [ -0.0013136400000000, 0.0011713100000000, 0.0004472100000000 ] - [ -0.0006816500000000, -0.0003822900000000, -0.0007450800000000 ] - [ -0.0000716100000000, -0.0004474600000000, -0.0002970200000000 ] - [ 0.0001854500000000, 0.0012001600000000, 0.0017280500000000 ] - [ -0.0001220100000000, 0.0003010300000000, 0.0000173900000000 ] - [ -0.0002223500000000, 0.0000606400000000, 0.0001095700000000 ] - [ -0.0004871600000000, 0.0017952800000000, -0.0008361000000000 ] - [ -0.0002544100000000, -0.0004305500000000, -0.0000598200000000 ] - [ 0.0001962400000000, -0.0001525800000000, 0.0000790500000000 ] - [ 0.0001699300000000, -0.0001802300000000, 0.0000720000000000 ] - [ -0.0002347100000000, -0.0000265900000000, 0.0001331500000000 ] - [ -0.0001344200000000, -0.0002671800000000, 0.0000408600000000 ] - [ 0.0001606000000000, 0.0009057600000000, -0.0019284400000000 ] - [ 0.0004289300000000, -0.0007758100000000, 0.0001486200000000 ] - [ 0.0001875100000000, 0.0001480900000000, 0.0000781900000000 ] - [ 0.0001612700000000, 0.0001756500000000, 0.0000712100000000 ] - [ 0.0001669800000000, 0.0021463900000000, 0.0007101500000000 ] - [ -0.0001028400000000, -0.0001020700000000, -0.0000904200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002263100000000, 0.0000000000000000, 0.0000275300000000 ] - [ -0.0002554000000000, 0.0000000000000000, 0.0000826500000000 ] - [ 0.0003440300000000, 0.0000901200000000, -0.0001783500000000 ] - [ 0.0003440300000000, -0.0000901200000000, -0.0001783500000000 ] - [ 0.0002596600000000, 0.0000703100000000, 0.0002260300000000 ] - [ 0.0002596600000000, -0.0000703100000000, 0.0002260300000000 ] - [ 0.0002874500000000, 0.0000000000000000, 0.0007411400000000 ] - [ -0.0001731800000000, 0.0000000000000000, -0.0000378300000000 ] - [ 0.0009584900000000, 0.0000000000000000, -0.0150815400000000 ] - [ -0.0002077400000000, 0.0000000000000000, 0.0000508100000000 ] - [ 0.0001549800000000, 0.0000013100000000, -0.0001803900000000 ] - [ 0.0001549800000000, -0.0000013100000000, -0.0001803900000000 ] - [ 0.0000313700000000, 0.0000178300000000, 0.0003825100000000 ] - [ 0.0000313700000000, -0.0000178300000000, 0.0003825100000000 ] - [ -0.0001578500000000, 0.0000000000000000, -0.0001278800000000 ] - [ -0.0001562100000000, 0.0000000000000000, -0.0001428700000000 ] - [ 0.0002493000000000, 0.0000000000000000, 0.0003626300000000 ] - [ 0.0002484200000000, 0.0000000000000000, 0.0003745300000000 ] - [ -0.0004456900000000, -0.0001331100000000, -0.0006510200000000 ] - [ -0.0004456900000000, 0.0001331100000000, -0.0006510200000000 ] - [ -0.0002309400000000, -0.0000042600000000, 0.0004005100000000 ] - [ -0.0002309400000000, 0.0000042600000000, 0.0004005100000000 ] - [ 0.0008178300000000, 0.0000000000000000, 0.0044489400000000 ] - [ 0.0002257400000000, 0.0000000000000000, -0.0002839400000000 ] - [ -0.0000890200000000, 0.0000000000000000, -0.0005300600000000 ] - [ -0.0002065000000000, 0.0000000000000000, -0.0006541200000000 ] - [ 0.0001839400000000, -0.0000093800000000, 0.0007168200000000 ] - [ 0.0001839400000000, 0.0000093800000000, 0.0007168200000000 ] - [ 0.0003418800000000, -0.0000892800000000, -0.0009128100000000 ] - [ 0.0003418800000000, 0.0000892800000000, -0.0009128100000000 ] - [ -0.0002983700000000, 0.0000000000000000, 0.0005067700000000 ] - [ -0.0001808700000000, 0.0000000000000000, 0.0006447300000000 ] - [ -0.0018775600000000, 0.0000000000000000, 0.0006565700000000 ] - [ 0.0002485600000000, 0.0000000000000000, 0.0003450700000000 ] - [ -0.0002616400000000, 0.0000398500000000, -0.0003932100000000 ] - [ -0.0002616400000000, -0.0000398500000000, -0.0003932100000000 ] - [ 0.0000318200000000, 0.0009041900000000, 0.0007677300000000 ] - [ 0.0000318200000000, -0.0009041900000000, 0.0007677300000000 ] - [ 0.0002788300000000, 0.0000000000000000, -0.0003482500000000 ] - [ 0.0002685500000000, 0.0000000000000000, -0.0003684100000000 ] - [ 0.0009262700000000, 0.0000000000000000, -0.0014596900000000 ] - [ 0.0004630200000000, 0.0000000000000000, -0.0008887200000000 ] - [ -0.0003924400000000, -0.0000001600000000, 0.0008337400000000 ] - [ -0.0003924400000000, 0.0000001600000000, 0.0008337400000000 ] - [ 0.0002160400000000, -0.0007508300000000, -0.0004148100000000 ] - [ 0.0002160400000000, 0.0007508300000000, -0.0004148100000000 ] - [ 0.0003932700000000, 0.0000000000000000, 0.0008864800000000 ] - [ 0.0004048200000000, 0.0000000000000000, 0.0008540100000000 ] - [ 0.0004512700000000, 0.0001838300000000, -0.0003959200000000 ] - [ 0.0008162100000000, -0.0000203600000000, -0.0002651400000000 ] - [ -0.0004734000000000, 0.0001434700000000, 0.0004377600000000 ] - [ -0.0004196400000000, 0.0001993700000000, 0.0004232600000000 ] - [ -0.0018977000000000, -0.0008615800000000, 0.0008222400000000 ] - [ -0.0004266500000000, -0.0003634200000000, -0.0007491400000000 ] - [ 0.0002703200000000, -0.0001490500000000, 0.0003963600000000 ] - [ 0.0003744400000000, -0.0001950700000000, 0.0004196800000000 ] - [ -0.0004734000000000, -0.0001434700000000, 0.0004377600000000 ] - [ -0.0004196400000000, -0.0001993700000000, 0.0004232600000000 ] - [ 0.0008162100000000, 0.0000203600000000, -0.0002651400000000 ] - [ 0.0004512700000000, -0.0001838300000000, -0.0003959200000000 ] - [ 0.0003744400000000, 0.0001950700000000, 0.0004196800000000 ] - [ 0.0002703200000000, 0.0001490500000000, 0.0003963600000000 ] - [ -0.0018977000000000, 0.0008615800000000, 0.0008222400000000 ] - [ -0.0004266500000000, 0.0003634200000000, -0.0007491400000000 ] - [ 0.0001503900000000, 0.0004110100000000, -0.0002209800000000 ] - [ -0.0001421300000000, 0.0021510700000000, 0.0022837100000000 ] - [ -0.0001430200000000, 0.0001827800000000, 0.0000325700000000 ] - [ -0.0001747300000000, 0.0001782900000000, 0.0000658200000000 ] - [ 0.0002370900000000, -0.0008699000000000, 0.0009652800000000 ] - [ -0.0001761300000000, -0.0002185600000000, -0.0000161000000000 ] - [ 0.0001724900000000, -0.0001596000000000, 0.0000894400000000 ] - [ 0.0001774200000000, -0.0001561900000000, 0.0000851300000000 ] - [ -0.0001430200000000, -0.0001827800000000, 0.0000325700000000 ] - [ -0.0001747300000000, -0.0001782900000000, 0.0000658200000000 ] - [ -0.0001421300000000, -0.0021510700000000, 0.0022837100000000 ] - [ 0.0001503900000000, -0.0004110100000000, -0.0002209800000000 ] - [ 0.0001774200000000, 0.0001561900000000, 0.0000851300000000 ] - [ 0.0001724900000000, 0.0001596000000000, 0.0000894400000000 ] - [ 0.0002370900000000, 0.0008699000000000, 0.0009652800000000 ] - [ -0.0001761300000000, 0.0002185600000000, -0.0000161000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002739700000000, 0.0000000000000000, 0.0001678900000000 ] - [ -0.0002441500000000, 0.0000000000000000, 0.0001127500000000 ] - [ 0.0001561100000000, -0.0000909700000000, -0.0000169500000000 ] - [ 0.0001561100000000, 0.0000909700000000, -0.0000169500000000 ] - [ 0.0002408300000000, -0.0000707400000000, -0.0000306700000000 ] - [ 0.0002408300000000, 0.0000707400000000, -0.0000306700000000 ] - [ -0.0007960600000000, 0.0000000000000000, -0.0009425800000000 ] - [ -0.0003279500000000, 0.0000000000000000, -0.0001582700000000 ] - [ -0.0012663300000000, 0.0000000000000000, 0.0154205700000000 ] - [ -0.0001153300000000, 0.0000000000000000, 0.0002559800000000 ] - [ 0.0001678400000000, -0.0000012600000000, -0.0001265500000000 ] - [ 0.0001678400000000, 0.0000012600000000, -0.0001265500000000 ] - [ 0.0002930100000000, -0.0000178800000000, -0.0000774400000000 ] - [ 0.0002930100000000, 0.0000178800000000, -0.0000774400000000 ] - [ -0.0001651300000000, 0.0000000000000000, -0.0001791100000000 ] - [ -0.0001667100000000, 0.0000000000000000, -0.0001641200000000 ] - [ 0.0002332900000000, 0.0000000000000000, 0.0004010100000000 ] - [ 0.0002342600000000, 0.0000000000000000, 0.0003890700000000 ] - [ -0.0000370000000000, 0.0001314900000000, -0.0001110300000000 ] - [ -0.0000370000000000, -0.0001314900000000, -0.0001110300000000 ] - [ -0.0002518900000000, 0.0000043300000000, 0.0003631500000000 ] - [ -0.0002518900000000, -0.0000043300000000, 0.0003631500000000 ] - [ -0.0003220500000000, 0.0000000000000000, -0.0051563200000000 ] - [ 0.0002574100000000, 0.0000000000000000, -0.0004807000000000 ] - [ -0.0003115900000000, 0.0000000000000000, -0.0008152000000000 ] - [ -0.0001938000000000, 0.0000000000000000, -0.0006907800000000 ] - [ 0.0002166200000000, 0.0000091000000000, 0.0006275900000000 ] - [ 0.0002166200000000, -0.0000091000000000, 0.0006275900000000 ] - [ 0.0000592700000000, 0.0000883300000000, -0.0004312700000000 ] - [ 0.0000592700000000, -0.0000883300000000, -0.0004312700000000 ] - [ -0.0001009100000000, 0.0000000000000000, 0.0008375200000000 ] - [ -0.0002194300000000, 0.0000000000000000, 0.0006998600000000 ] - [ 0.0024643300000000, 0.0000000000000000, 0.0001280000000000 ] - [ 0.0003129800000000, 0.0000000000000000, 0.0004405600000000 ] - [ -0.0002972900000000, -0.0000402200000000, -0.0003925500000000 ] - [ -0.0002972900000000, 0.0000402200000000, -0.0003925500000000 ] - [ -0.0005946500000000, -0.0009037000000000, 0.0000203500000000 ] - [ -0.0005946500000000, 0.0009037000000000, 0.0000203500000000 ] - [ 0.0002781600000000, 0.0000000000000000, -0.0004335400000000 ] - [ 0.0002906200000000, 0.0000000000000000, -0.0004153700000000 ] - [ -0.0001564700000000, 0.0000000000000000, -0.0002334100000000 ] - [ 0.0003159900000000, 0.0000000000000000, -0.0007976000000000 ] - [ -0.0003879800000000, 0.0000002800000000, 0.0008590700000000 ] - [ -0.0003879800000000, -0.0000002800000000, 0.0008590700000000 ] - [ -0.0009895300000000, 0.0007481400000000, -0.0012845700000000 ] - [ -0.0009895300000000, -0.0007481400000000, -0.0012845700000000 ] - [ 0.0003842400000000, 0.0000000000000000, 0.0008009100000000 ] - [ 0.0003740100000000, 0.0000000000000000, 0.0008360500000000 ] - [ 0.0003630200000000, 0.0001822600000000, -0.0004687300000000 ] - [ -0.0000009900000000, 0.0003858300000000, -0.0005989800000000 ] - [ -0.0003407100000000, 0.0002229300000000, 0.0004251500000000 ] - [ -0.0003949300000000, 0.0001668900000000, 0.0004399700000000 ] - [ 0.0010489100000000, 0.0004582800000000, -0.0016528300000000 ] - [ -0.0003891300000000, -0.0000007500000000, -0.0001156500000000 ] - [ 0.0005452700000000, -0.0002167800000000, 0.0004668100000000 ] - [ 0.0004405100000000, -0.0001708200000000, 0.0004434400000000 ] - [ -0.0003407100000000, -0.0002229300000000, 0.0004251500000000 ] - [ -0.0003949300000000, -0.0001668900000000, 0.0004399700000000 ] - [ -0.0000009900000000, -0.0003858300000000, -0.0005989800000000 ] - [ 0.0003630200000000, -0.0001822600000000, -0.0004687300000000 ] - [ 0.0004405100000000, 0.0001708200000000, 0.0004434400000000 ] - [ 0.0005452700000000, 0.0002167800000000, 0.0004668100000000 ] - [ 0.0010489100000000, -0.0004582800000000, -0.0016528300000000 ] - [ -0.0003891300000000, 0.0000007500000000, -0.0001156500000000 ] - [ 0.0002103700000000, -0.0000872300000000, 0.0000699900000000 ] - [ 0.0004913300000000, -0.0019082200000000, -0.0025131900000000 ] - [ -0.0002170100000000, 0.0001423700000000, 0.0001192500000000 ] - [ -0.0001853800000000, 0.0001472100000000, 0.0000859600000000 ] - [ -0.0005757600000000, 0.0005263600000000, -0.0011056700000000 ] - [ -0.0001847300000000, -0.0001089400000000, -0.0001349400000000 ] - [ 0.0001880200000000, -0.0001662700000000, 0.0000622600000000 ] - [ 0.0001831600000000, -0.0001697100000000, 0.0000664300000000 ] - [ -0.0002170100000000, -0.0001423700000000, 0.0001192500000000 ] - [ -0.0001853800000000, -0.0001472100000000, 0.0000859600000000 ] - [ 0.0004913300000000, 0.0019082200000000, -0.0025131900000000 ] - [ 0.0002103700000000, 0.0000872300000000, 0.0000699900000000 ] - [ 0.0001831600000000, 0.0001697100000000, 0.0000664300000000 ] - [ 0.0001880200000000, 0.0001662700000000, 0.0000622600000000 ] - [ -0.0005757600000000, -0.0005263600000000, -0.0011056700000000 ] - [ -0.0001847300000000, 0.0001089400000000, -0.0001349400000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0025930000000000, 0.0000000000000000, 0.0017678000000000 ] - [ -0.0001695500000000, 0.0000000000000000, 0.0001539200000000 ] - [ 0.0003949200000000, -0.0000985600000000, -0.0000093700000000 ] - [ 0.0003949200000000, 0.0000985600000000, -0.0000093700000000 ] - [ 0.0004617800000000, 0.0002532300000000, 0.0000858500000000 ] - [ 0.0004617800000000, -0.0002532300000000, 0.0000858500000000 ] - [ 0.0001018900000000, 0.0000000000000000, -0.0001122600000000 ] - [ -0.0002309200000000, 0.0000000000000000, -0.0001007100000000 ] - [ 0.0000101600000000, 0.0000000000000000, 0.0001597300000000 ] - [ -0.0000734700000000, 0.0000000000000000, 0.0001589400000000 ] - [ -0.0000925600000000, 0.0007130000000000, -0.0003563600000000 ] - [ -0.0000925600000000, -0.0007130000000000, -0.0003563600000000 ] - [ 0.0003011700000000, -0.0000336100000000, 0.0001411600000000 ] - [ 0.0003011700000000, 0.0000336100000000, 0.0001411600000000 ] - [ -0.0013746200000000, 0.0000000000000000, -0.0007258000000000 ] - [ -0.0003472700000000, 0.0000000000000000, -0.0001358600000000 ] - [ -0.0150307100000000, 0.0000000000000000, -0.0069212500000000 ] - [ 0.0000285200000000, 0.0000000000000000, 0.0003344300000000 ] - [ -0.0001301300000000, -0.0000252300000000, -0.0003607700000000 ] - [ -0.0001301300000000, 0.0000252300000000, -0.0003607700000000 ] - [ -0.0005761300000000, 0.0002352000000000, 0.0005387400000000 ] - [ -0.0005761300000000, -0.0002352000000000, 0.0005387400000000 ] - [ 0.0003881900000000, 0.0000000000000000, -0.0004045100000000 ] - [ 0.0003243200000000, 0.0000000000000000, -0.0003979900000000 ] - [ -0.0000111600000000, 0.0000000000000000, -0.0006920800000000 ] - [ -0.0000971500000000, 0.0000000000000000, -0.0006847400000000 ] - [ 0.0002205700000000, -0.0000859500000000, 0.0005056400000000 ] - [ 0.0002205700000000, 0.0000859500000000, 0.0005056400000000 ] - [ 0.0003462700000000, 0.0001158400000000, -0.0006718200000000 ] - [ 0.0003462700000000, -0.0001158400000000, -0.0006718200000000 ] - [ 0.0016156800000000, 0.0000000000000000, 0.0006982000000000 ] - [ -0.0002094200000000, 0.0000000000000000, 0.0006931700000000 ] - [ 0.0003142200000000, 0.0000000000000000, 0.0004061100000000 ] - [ 0.0003113600000000, 0.0000000000000000, 0.0003996600000000 ] - [ -0.0011438800000000, -0.0008394000000000, -0.0002355400000000 ] - [ -0.0011438800000000, 0.0008394000000000, -0.0002355400000000 ] - [ -0.0002755600000000, 0.0001321600000000, 0.0003873000000000 ] - [ -0.0002755600000000, -0.0001321600000000, 0.0003873000000000 ] - [ 0.0001377800000000, 0.0000000000000000, 0.0000229400000000 ] - [ 0.0000705500000000, 0.0000000000000000, -0.0003678900000000 ] - [ 0.0003475600000000, 0.0000000000000000, -0.0008821500000000 ] - [ 0.0003179800000000, 0.0000000000000000, -0.0008674800000000 ] - [ 0.0000426800000000, -0.0002632200000000, 0.0010751700000000 ] - [ 0.0000426800000000, 0.0002632200000000, 0.0010751700000000 ] - [ -0.0004391000000000, 0.0000261800000000, -0.0007854500000000 ] - [ -0.0004391000000000, -0.0000261800000000, -0.0007854500000000 ] - [ 0.0009479400000000, 0.0000000000000000, 0.0011622500000000 ] - [ 0.0006574400000000, 0.0000000000000000, 0.0008868800000000 ] - [ 0.0003038900000000, 0.0002480100000000, -0.0004144900000000 ] - [ 0.0001931500000000, 0.0001798000000000, -0.0004561900000000 ] - [ 0.0026286900000000, -0.0006858400000000, -0.0006584200000000 ] - [ -0.0002898800000000, -0.0000927100000000, 0.0003740400000000 ] - [ -0.0006703000000000, 0.0000068400000000, -0.0004785400000000 ] - [ -0.0004765100000000, -0.0002229300000000, -0.0004371000000000 ] - [ 0.0002027400000000, -0.0004414900000000, 0.0004971800000000 ] - [ 0.0005577000000000, -0.0000548600000000, 0.0004480900000000 ] - [ 0.0026286900000000, 0.0006858400000000, -0.0006584200000000 ] - [ -0.0002898800000000, 0.0000927100000000, 0.0003740400000000 ] - [ 0.0001931500000000, -0.0001798000000000, -0.0004561900000000 ] - [ 0.0003038900000000, -0.0002480100000000, -0.0004144900000000 ] - [ 0.0005577000000000, 0.0000548600000000, 0.0004480900000000 ] - [ 0.0002027400000000, 0.0004414900000000, 0.0004971800000000 ] - [ -0.0006703000000000, -0.0000068400000000, -0.0004785400000000 ] - [ -0.0004765100000000, 0.0002229300000000, -0.0004371000000000 ] - [ 0.0001001800000000, 0.0001124100000000, -0.0001069100000000 ] - [ 0.0000413800000000, 0.0001778900000000, -0.0000699200000000 ] - [ 0.0028689300000000, 0.0032156900000000, 0.0025225600000000 ] - [ -0.0001753900000000, 0.0002137400000000, 0.0000253800000000 ] - [ -0.0003457100000000, -0.0002012600000000, -0.0000631300000000 ] - [ -0.0002521500000000, -0.0001682000000000, -0.0000716000000000 ] - [ 0.0005553100000000, -0.0012560400000000, 0.0013608200000000 ] - [ 0.0003367700000000, -0.0003873800000000, -0.0000619800000000 ] - [ 0.0028689300000000, -0.0032156900000000, 0.0025225600000000 ] - [ -0.0001753900000000, -0.0002137400000000, 0.0000253800000000 ] - [ 0.0000413800000000, -0.0001778900000000, -0.0000699200000000 ] - [ 0.0001001800000000, -0.0001124100000000, -0.0001069100000000 ] - [ 0.0003367700000000, 0.0003873800000000, -0.0000619800000000 ] - [ 0.0005553100000000, 0.0012560400000000, 0.0013608200000000 ] - [ -0.0003457100000000, 0.0002012600000000, -0.0000631300000000 ] - [ -0.0002521500000000, 0.0001682000000000, -0.0000716000000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0031231400000000, 0.0000000000000000, -0.0015965700000000 ] - [ -0.0003293300000000, 0.0000000000000000, 0.0000411200000000 ] - [ 0.0001052200000000, 0.0000986500000000, -0.0001850000000000 ] - [ 0.0001052200000000, -0.0000986500000000, -0.0001850000000000 ] - [ 0.0000377400000000, -0.0002527600000000, 0.0001092900000000 ] - [ 0.0000377400000000, 0.0002527600000000, 0.0001092900000000 ] - [ -0.0006004300000000, 0.0000000000000000, -0.0000830900000000 ] - [ -0.0002689200000000, 0.0000000000000000, -0.0000944600000000 ] - [ -0.0003331400000000, 0.0000000000000000, 0.0001447100000000 ] - [ -0.0002494800000000, 0.0000000000000000, 0.0001455700000000 ] - [ 0.0004139800000000, -0.0007107300000000, 0.0000512700000000 ] - [ 0.0004139800000000, 0.0007107300000000, 0.0000512700000000 ] - [ 0.0000225300000000, 0.0000337100000000, 0.0001630400000000 ] - [ 0.0000225300000000, -0.0000337100000000, 0.0001630400000000 ] - [ 0.0010550600000000, 0.0000000000000000, 0.0004130700000000 ] - [ 0.0000235300000000, 0.0000000000000000, -0.0001686200000000 ] - [ 0.0155575000000000, 0.0000000000000000, 0.0074831800000000 ] - [ 0.0004551000000000, 0.0000000000000000, 0.0004278800000000 ] - [ -0.0003534900000000, 0.0000253700000000, -0.0004019300000000 ] - [ -0.0003534900000000, -0.0000253700000000, -0.0004019300000000 ] - [ 0.0000914500000000, -0.0002348900000000, 0.0002241700000000 ] - [ 0.0000914500000000, 0.0002348900000000, 0.0002241700000000 ] - [ 0.0000960500000000, 0.0000000000000000, -0.0003585200000000 ] - [ 0.0001599200000000, 0.0000000000000000, -0.0003650300000000 ] - [ -0.0003884800000000, 0.0000000000000000, -0.0006533900000000 ] - [ -0.0003029400000000, 0.0000000000000000, -0.0006605700000000 ] - [ 0.0001802900000000, 0.0000855300000000, 0.0008386500000000 ] - [ 0.0001802900000000, -0.0000855300000000, 0.0008386500000000 ] - [ 0.0000546000000000, -0.0001154600000000, -0.0006732800000000 ] - [ 0.0000546000000000, 0.0001154600000000, -0.0006732800000000 ] - [ -0.0019949300000000, 0.0000000000000000, 0.0006469200000000 ] - [ -0.0001913600000000, 0.0000000000000000, 0.0006516400000000 ] - [ 0.0002349700000000, 0.0000000000000000, 0.0003697700000000 ] - [ 0.0002441800000000, 0.0000000000000000, 0.0003811400000000 ] - [ 0.0005949700000000, 0.0008380700000000, -0.0005439400000000 ] - [ 0.0005949700000000, -0.0008380700000000, -0.0005439400000000 ] - [ -0.0002772400000000, -0.0001315400000000, 0.0003911800000000 ] - [ -0.0002772400000000, 0.0001315400000000, 0.0003911800000000 ] - [ 0.0004102900000000, 0.0000000000000000, -0.0008001100000000 ] - [ 0.0004827600000000, 0.0000000000000000, -0.0004105500000000 ] - [ 0.0004358800000000, 0.0000000000000000, -0.0007947200000000 ] - [ 0.0004616100000000, 0.0000000000000000, -0.0008109000000000 ] - [ -0.0008239000000000, 0.0002612300000000, 0.0005982400000000 ] - [ -0.0008239000000000, -0.0002612300000000, 0.0005982400000000 ] - [ -0.0003443700000000, -0.0000259500000000, -0.0008911400000000 ] - [ -0.0003443700000000, 0.0000259500000000, -0.0008911400000000 ] - [ -0.0001639400000000, 0.0000000000000000, 0.0005115300000000 ] - [ 0.0001258400000000, 0.0000000000000000, 0.0007884700000000 ] - [ 0.0005131100000000, 0.0001168200000000, -0.0004514200000000 ] - [ 0.0006252000000000, 0.0001859900000000, -0.0004090000000000 ] - [ -0.0035180800000000, 0.0011086200000000, 0.0015671800000000 ] - [ -0.0005277700000000, 0.0004553200000000, 0.0004924800000000 ] - [ -0.0001474700000000, -0.0003706300000000, -0.0003877600000000 ] - [ -0.0003406500000000, -0.0001423000000000, -0.0004291600000000 ] - [ 0.0006141800000000, 0.0000754200000000, 0.0003737600000000 ] - [ 0.0002604000000000, -0.0003093100000000, 0.0004178500000000 ] - [ -0.0035180800000000, -0.0011086200000000, 0.0015671800000000 ] - [ -0.0005277700000000, -0.0004553200000000, 0.0004924800000000 ] - [ 0.0006252000000000, -0.0001859900000000, -0.0004090000000000 ] - [ 0.0005131100000000, -0.0001168200000000, -0.0004514200000000 ] - [ 0.0002604000000000, 0.0003093100000000, 0.0004178500000000 ] - [ 0.0006141800000000, -0.0000754200000000, 0.0003737600000000 ] - [ -0.0001474700000000, 0.0003706300000000, -0.0003877600000000 ] - [ -0.0003406500000000, 0.0001423000000000, -0.0004291600000000 ] - [ 0.0002572400000000, 0.0002150900000000, -0.0000434200000000 ] - [ 0.0003160400000000, 0.0001501800000000, -0.0000802100000000 ] - [ -0.0031831900000000, -0.0028237700000000, -0.0023091700000000 ] - [ -0.0001822000000000, 0.0001147800000000, 0.0001244700000000 ] - [ -0.0000123900000000, -0.0001268500000000, -0.0000870000000000 ] - [ -0.0001057200000000, -0.0001597400000000, -0.0000785900000000 ] - [ -0.0001905400000000, 0.0009189800000000, -0.0011971400000000 ] - [ 0.0000217400000000, 0.0000569500000000, 0.0002123400000000 ] - [ -0.0031831900000000, 0.0028237700000000, -0.0023091700000000 ] - [ -0.0001822000000000, -0.0001147800000000, 0.0001244700000000 ] - [ 0.0003160400000000, -0.0001501800000000, -0.0000802100000000 ] - [ 0.0002572400000000, -0.0002150900000000, -0.0000434200000000 ] - [ 0.0000217400000000, -0.0000569500000000, 0.0002123400000000 ] - [ -0.0001905400000000, -0.0009189800000000, -0.0011971400000000 ] - [ -0.0000123900000000, 0.0001268500000000, -0.0000870000000000 ] - [ -0.0001057200000000, 0.0001597400000000, -0.0000785900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002451300000000, -0.0010715100000000, 0.0000998200000000 ] - [ -0.0002498300000000, 0.0003110300000000, 0.0000973300000000 ] - [ -0.0000328200000000, 0.0000687300000000, -0.0002051600000000 ] - [ 0.0005324700000000, 0.0000691300000000, 0.0000102000000000 ] - [ 0.0003356700000000, 0.0000647200000000, 0.0001275400000000 ] - [ 0.0001633600000000, 0.0000655100000000, 0.0000676200000000 ] - [ -0.0002501100000000, -0.0000310900000000, -0.0000977100000000 ] - [ -0.0002500400000000, 0.0000248900000000, -0.0000977400000000 ] - [ -0.0001615700000000, -0.0000356400000000, 0.0001524200000000 ] - [ -0.0001615800000000, 0.0000263600000000, 0.0001524200000000 ] - [ 0.0007528900000000, 0.0009181000000000, -0.0002860200000000 ] - [ -0.0004230700000000, 0.0009079100000000, -0.0000214400000000 ] - [ 0.0001072100000000, 0.0000107100000000, 0.0001566600000000 ] - [ 0.0002155500000000, 0.0000109600000000, 0.0001481700000000 ] - [ -0.0001598400000000, -0.0015194500000000, -0.0001595400000000 ] - [ -0.0001609900000000, 0.0003470200000000, -0.0001524700000000 ] - [ 0.0002421600000000, -0.0190657300000000, 0.0004192600000000 ] - [ 0.0002421200000000, 0.0003434100000000, 0.0003813600000000 ] - [ -0.0002670700000000, 0.0000065900000000, -0.0003832100000000 ] - [ -0.0002164600000000, 0.0000066900000000, -0.0003800400000000 ] - [ -0.0000064500000000, 0.0001476200000000, 0.0003189100000000 ] - [ -0.0004765100000000, 0.0001485600000000, 0.0004428100000000 ] - [ 0.0002416300000000, -0.0000338200000000, -0.0003816400000000 ] - [ 0.0002416300000000, 0.0000250000000000, -0.0003816200000000 ] - [ -0.0002003400000000, -0.0003697200000000, -0.0006726400000000 ] - [ -0.0002008600000000, 0.0002109000000000, -0.0006724600000000 ] - [ -0.0000042500000000, 0.0001741900000000, 0.0007664800000000 ] - [ 0.0004056500000000, 0.0001750700000000, 0.0005785100000000 ] - [ 0.0002083600000000, 0.0000080700000000, -0.0006830500000000 ] - [ 0.0001922600000000, 0.0000081600000000, -0.0006622700000000 ] - [ -0.0002025400000000, -0.0004021000000000, 0.0006726100000000 ] - [ -0.0002003200000000, 0.0000613400000000, 0.0006724900000000 ] - [ 0.0002788700000000, -0.0002977400000000, 0.0003905200000000 ] - [ 0.0002785900000000, 0.0001993600000000, 0.0003911000000000 ] - [ -0.0004823700000000, 0.0011709200000000, -0.0003603900000000 ] - [ -0.0000762000000000, 0.0011630600000000, -0.0004189600000000 ] - [ -0.0002872300000000, 0.0000203700000000, 0.0003915800000000 ] - [ -0.0002700900000000, 0.0000206100000000, 0.0003916600000000 ] - [ 0.0002773100000000, -0.0003292500000000, -0.0003915500000000 ] - [ 0.0002763900000000, 0.0001459400000000, -0.0003907100000000 ] - [ 0.0003881100000000, -0.0001350600000000, -0.0008412400000000 ] - [ 0.0003889800000000, 0.0000885000000000, -0.0008401900000000 ] - [ -0.0005450300000000, 0.0010218500000000, 0.0008117700000000 ] - [ -0.0002340500000000, 0.0010210700000000, 0.0008631700000000 ] - [ -0.0003927300000000, 0.0000054000000000, -0.0008401400000000 ] - [ -0.0003853300000000, 0.0000055400000000, -0.0008395100000000 ] - [ 0.0003870000000000, -0.0020414500000000, 0.0008377300000000 ] - [ 0.0003918600000000, 0.0002302100000000, 0.0008416200000000 ] - [ 0.0005358900000000, -0.0000025800000000, -0.0004636500000000 ] - [ 0.0002071100000000, 0.0004331900000000, -0.0003854400000000 ] - [ -0.0017912200000000, 0.0013342800000000, 0.0011904200000000 ] - [ -0.0007066100000000, -0.0002052100000000, 0.0005281900000000 ] - [ -0.0003657900000000, -0.0001803800000000, -0.0004340400000000 ] - [ -0.0004189100000000, -0.0002029000000000, -0.0004265400000000 ] - [ 0.0002778000000000, 0.0001964400000000, 0.0008298400000000 ] - [ 0.0004410900000000, -0.0003628000000000, 0.0003623800000000 ] - [ 0.0009269000000000, 0.0009449700000000, -0.0003013000000000 ] - [ -0.0001080400000000, -0.0005683400000000, 0.0003376100000000 ] - [ 0.0006094800000000, 0.0000680800000000, -0.0004805700000000 ] - [ 0.0002809100000000, -0.0003677900000000, -0.0004022400000000 ] - [ 0.0003754000000000, 0.0000022200000000, 0.0005036700000000 ] - [ 0.0005384700000000, 0.0005619600000000, 0.0000373200000000 ] - [ -0.0004504500000000, 0.0001849000000000, -0.0004319000000000 ] - [ -0.0003974500000000, 0.0001621300000000, -0.0004398100000000 ] - [ 0.0001824500000000, 0.0001465700000000, -0.0000790400000000 ] - [ 0.0001717600000000, 0.0001746100000000, -0.0000754000000000 ] - [ 0.0026555300000000, 0.0043349500000000, 0.0029324500000000 ] - [ -0.0001175100000000, -0.0000680300000000, 0.0000826700000000 ] - [ -0.0002400900000000, -0.0000381100000000, -0.0001385100000000 ] - [ -0.0001382600000000, -0.0002588000000000, -0.0000400800000000 ] - [ -0.0009339500000000, 0.0034422600000000, -0.0047363800000000 ] - [ 0.0003949000000000, -0.0006296400000000, -0.0000895700000000 ] - [ -0.0029390900000000, 0.0039641500000000, -0.0027117400000000 ] - [ -0.0002403300000000, -0.0003951600000000, 0.0000678100000000 ] - [ 0.0001856300000000, -0.0001517600000000, -0.0000755800000000 ] - [ 0.0001750800000000, -0.0001799900000000, -0.0000718600000000 ] - [ -0.0000371900000000, -0.0003010300000000, 0.0002417500000000 ] - [ 0.0012574200000000, 0.0037053800000000, 0.0047689500000000 ] - [ -0.0001173100000000, 0.0002882900000000, -0.0000124200000000 ] - [ -0.0002189100000000, 0.0000671700000000, -0.0001110700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0016212900000000, 0.0000000000000000, 0.0002281100000000 ] - [ -0.0001552800000000, 0.0000000000000000, 0.0000449300000000 ] - [ 0.0002759100000000, 0.0000573800000000, -0.0001893100000000 ] - [ 0.0002759100000000, -0.0000573800000000, -0.0001893100000000 ] - [ 0.0003423900000000, 0.0000975600000000, 0.0001837600000000 ] - [ 0.0003423900000000, -0.0000975600000000, 0.0001837600000000 ] - [ -0.0001816400000000, 0.0000000000000000, -0.0000465500000000 ] - [ -0.0002568300000000, 0.0000000000000000, -0.0000844300000000 ] - [ -0.0001406400000000, 0.0000000000000000, 0.0001330500000000 ] - [ -0.0001456900000000, 0.0000000000000000, 0.0001449600000000 ] - [ -0.0000913500000000, -0.0001641800000000, -0.0004218800000000 ] - [ -0.0000913500000000, 0.0001641800000000, -0.0004218800000000 ] - [ 0.0001747200000000, 0.0000003500000000, 0.0001708500000000 ] - [ 0.0001747200000000, -0.0000003500000000, 0.0001708500000000 ] - [ -0.0010365100000000, 0.0000000000000000, 0.0046795000000000 ] - [ -0.0002113400000000, 0.0000000000000000, -0.0000544600000000 ] - [ -0.0069370800000000, 0.0000000000000000, -0.0229840800000000 ] - [ 0.0001949500000000, 0.0000000000000000, 0.0002603400000000 ] - [ -0.0002209700000000, -0.0000015900000000, -0.0003931900000000 ] - [ -0.0002209700000000, 0.0000015900000000, -0.0003931900000000 ] - [ -0.0003991100000000, 0.0000619700000000, 0.0006221100000000 ] - [ -0.0003991100000000, -0.0000619700000000, 0.0006221100000000 ] - [ 0.0002648800000000, 0.0000000000000000, -0.0003693900000000 ] - [ 0.0002582900000000, 0.0000000000000000, -0.0003779400000000 ] - [ -0.0002316000000000, 0.0000000000000000, -0.0006001100000000 ] - [ -0.0001809200000000, 0.0000000000000000, -0.0006464900000000 ] - [ 0.0002885500000000, -0.0000137400000000, 0.0008338800000000 ] - [ 0.0002885500000000, 0.0000137400000000, 0.0008338800000000 ] - [ 0.0002106900000000, 0.0000117400000000, -0.0007029200000000 ] - [ 0.0002106900000000, -0.0000117400000000, -0.0007029200000000 ] - [ -0.0003061900000000, 0.0000000000000000, 0.0004029100000000 ] - [ -0.0002116400000000, 0.0000000000000000, 0.0006589700000000 ] - [ 0.0002847700000000, 0.0000000000000000, 0.0003703300000000 ] - [ 0.0002678900000000, 0.0000000000000000, 0.0003734200000000 ] - [ -0.0000470300000000, 0.0005313700000000, -0.0006765100000000 ] - [ -0.0000470300000000, -0.0005313700000000, -0.0006765100000000 ] - [ -0.0002619700000000, 0.0000494500000000, 0.0003940700000000 ] - [ -0.0002619700000000, -0.0000494500000000, 0.0003940700000000 ] - [ -0.0001672500000000, 0.0000000000000000, -0.0002293000000000 ] - [ 0.0002187300000000, 0.0000000000000000, -0.0003464400000000 ] - [ 0.0003875000000000, 0.0000000000000000, -0.0008728900000000 ] - [ 0.0003954800000000, 0.0000000000000000, -0.0008565400000000 ] - [ -0.0000476400000000, -0.0006218400000000, -0.0000098300000000 ] - [ -0.0000476400000000, 0.0006218400000000, -0.0000098300000000 ] - [ -0.0003978500000000, 0.0000066200000000, -0.0008267000000000 ] - [ -0.0003978500000000, -0.0000066200000000, -0.0008267000000000 ] - [ 0.0012438800000000, 0.0000000000000000, 0.0014083800000000 ] - [ 0.0005031500000000, 0.0000000000000000, 0.0008841200000000 ] - [ 0.0003618300000000, 0.0002041400000000, -0.0004232300000000 ] - [ 0.0003009100000000, 0.0001761500000000, -0.0004389800000000 ] - [ -0.0016124200000000, 0.0006155600000000, 0.0016948900000000 ] - [ -0.0003874200000000, 0.0002879300000000, 0.0006142700000000 ] - [ -0.0005008800000000, -0.0001372400000000, -0.0004433200000000 ] - [ -0.0004246500000000, -0.0002077100000000, -0.0004263800000000 ] - [ 0.0006099700000000, -0.0002539500000000, 0.0001290600000000 ] - [ 0.0004717700000000, -0.0001638600000000, 0.0004046600000000 ] - [ -0.0016124200000000, -0.0006155600000000, 0.0016948900000000 ] - [ -0.0003874200000000, -0.0002879300000000, 0.0006142700000000 ] - [ 0.0003009100000000, -0.0001761500000000, -0.0004389800000000 ] - [ 0.0003618300000000, -0.0002041400000000, -0.0004232300000000 ] - [ 0.0004717700000000, 0.0001638600000000, 0.0004046600000000 ] - [ 0.0006099700000000, 0.0002539500000000, 0.0001290600000000 ] - [ -0.0005008800000000, 0.0001372400000000, -0.0004433200000000 ] - [ -0.0004246500000000, 0.0002077100000000, -0.0004263800000000 ] - [ 0.0001662700000000, 0.0001515800000000, -0.0000874300000000 ] - [ 0.0001586900000000, 0.0001626200000000, -0.0000838900000000 ] - [ 0.0021535400000000, 0.0031572700000000, 0.0025754500000000 ] - [ -0.0001715400000000, 0.0002175300000000, 0.0000232400000000 ] - [ -0.0001762100000000, -0.0001903100000000, -0.0000416700000000 ] - [ -0.0001862500000000, -0.0001802700000000, -0.0000656900000000 ] - [ 0.0014597400000000, -0.0048770100000000, 0.0063099100000000 ] - [ 0.0002112100000000, -0.0004598700000000, 0.0002145800000000 ] - [ 0.0021535400000000, -0.0031572700000000, 0.0025754500000000 ] - [ -0.0001715400000000, -0.0002175300000000, 0.0000232400000000 ] - [ 0.0001586900000000, -0.0001626200000000, -0.0000838900000000 ] - [ 0.0001662700000000, -0.0001515800000000, -0.0000874300000000 ] - [ 0.0002112100000000, 0.0004598700000000, 0.0002145800000000 ] - [ 0.0014597400000000, 0.0048770100000000, 0.0063099100000000 ] - [ -0.0001762100000000, 0.0001903100000000, -0.0000416700000000 ] - [ -0.0001862500000000, 0.0001802700000000, -0.0000656900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0021279000000000, 0.0000000000000000, -0.0000270600000000 ] - [ -0.0003439900000000, 0.0000000000000000, 0.0001500200000000 ] - [ 0.0002235000000000, -0.0000576900000000, -0.0000047600000000 ] - [ 0.0002235000000000, 0.0000576900000000, -0.0000047600000000 ] - [ 0.0001565100000000, -0.0000977500000000, 0.0000109600000000 ] - [ 0.0001565100000000, 0.0000977500000000, 0.0000109600000000 ] - [ -0.0003166700000000, 0.0000000000000000, -0.0001478400000000 ] - [ -0.0002425200000000, 0.0000000000000000, -0.0001104900000000 ] - [ -0.0001830400000000, 0.0000000000000000, 0.0001707500000000 ] - [ -0.0001780800000000, 0.0000000000000000, 0.0001587600000000 ] - [ 0.0004147100000000, 0.0001632500000000, 0.0001193500000000 ] - [ 0.0004147100000000, -0.0001632500000000, 0.0001193500000000 ] - [ 0.0001495700000000, -0.0000003500000000, 0.0001328000000000 ] - [ 0.0001495700000000, 0.0000003500000000, 0.0001328000000000 ] - [ 0.0006989300000000, 0.0000000000000000, -0.0049244100000000 ] - [ -0.0001124000000000, 0.0000000000000000, -0.0002499200000000 ] - [ 0.0074670200000000, 0.0000000000000000, 0.0238876800000000 ] - [ 0.0002886700000000, 0.0000000000000000, 0.0005027300000000 ] - [ -0.0002623600000000, 0.0000015900000000, -0.0003698200000000 ] - [ -0.0002623600000000, -0.0000015900000000, -0.0003698200000000 ] - [ -0.0000849500000000, -0.0000619000000000, 0.0001399200000000 ] - [ -0.0000849500000000, 0.0000619000000000, 0.0001399200000000 ] - [ 0.0002189300000000, 0.0000000000000000, -0.0003938200000000 ] - [ 0.0002254500000000, 0.0000000000000000, -0.0003851800000000 ] - [ -0.0001680000000000, 0.0000000000000000, -0.0007452000000000 ] - [ -0.0002190400000000, 0.0000000000000000, -0.0006985100000000 ] - [ 0.0001124000000000, 0.0000133500000000, 0.0005099700000000 ] - [ 0.0001124000000000, -0.0000133500000000, 0.0005099700000000 ] - [ 0.0001897200000000, -0.0000115000000000, -0.0006417000000000 ] - [ 0.0001897200000000, 0.0000115000000000, -0.0006417000000000 ] - [ -0.0000977800000000, 0.0000000000000000, 0.0009415700000000 ] - [ -0.0001885000000000, 0.0000000000000000, 0.0006856000000000 ] - [ 0.0002606100000000, 0.0000000000000000, 0.0004074200000000 ] - [ 0.0002795100000000, 0.0000000000000000, 0.0004046100000000 ] - [ -0.0004980400000000, -0.0005362900000000, -0.0000976800000000 ] - [ -0.0004980400000000, 0.0005362900000000, -0.0000976800000000 ] - [ -0.0002841800000000, -0.0000493000000000, 0.0003828700000000 ] - [ -0.0002841800000000, 0.0000493000000000, 0.0003828700000000 ] - [ 0.0007171400000000, 0.0000000000000000, -0.0005453500000000 ] - [ 0.0003242900000000, 0.0000000000000000, -0.0004286300000000 ] - [ 0.0003969000000000, 0.0000000000000000, -0.0008106300000000 ] - [ 0.0003866600000000, 0.0000000000000000, -0.0008257200000000 ] - [ -0.0007373700000000, 0.0006225900000000, 0.0016834000000000 ] - [ -0.0007373700000000, -0.0006225900000000, 0.0016834000000000 ] - [ -0.0003876300000000, -0.0000065400000000, -0.0008524400000000 ] - [ -0.0003876300000000, 0.0000065400000000, -0.0008524400000000 ] - [ -0.0004680800000000, 0.0000000000000000, 0.0002668500000000 ] - [ 0.0002818200000000, 0.0000000000000000, 0.0007957800000000 ] - [ 0.0004559900000000, 0.0001611500000000, -0.0004436400000000 ] - [ 0.0005172600000000, 0.0001894700000000, -0.0004276700000000 ] - [ 0.0007788000000000, -0.0002369600000000, -0.0008246100000000 ] - [ -0.0004307200000000, 0.0000766900000000, 0.0002502400000000 ] - [ -0.0003170800000000, -0.0002275400000000, -0.0004237600000000 ] - [ -0.0003928900000000, -0.0001578000000000, -0.0004407900000000 ] - [ 0.0002061900000000, -0.0001123100000000, 0.0007398700000000 ] - [ 0.0003461600000000, -0.0002011600000000, 0.0004623000000000 ] - [ 0.0007788000000000, 0.0002369600000000, -0.0008246100000000 ] - [ -0.0004307200000000, -0.0000766900000000, 0.0002502400000000 ] - [ 0.0005172600000000, -0.0001894700000000, -0.0004276700000000 ] - [ 0.0004559900000000, -0.0001611500000000, -0.0004436400000000 ] - [ 0.0003461600000000, 0.0002011600000000, 0.0004623000000000 ] - [ 0.0002061900000000, 0.0001123100000000, 0.0007398700000000 ] - [ -0.0003170800000000, 0.0002275400000000, -0.0004237600000000 ] - [ -0.0003928900000000, 0.0001578000000000, -0.0004407900000000 ] - [ 0.0001915200000000, 0.0001784900000000, -0.0000616100000000 ] - [ 0.0001989600000000, 0.0001676100000000, -0.0000651100000000 ] - [ -0.0024515600000000, -0.0027695200000000, -0.0023933800000000 ] - [ -0.0001859600000000, 0.0001124700000000, 0.0001257600000000 ] - [ -0.0001814500000000, -0.0001392900000000, -0.0001077100000000 ] - [ -0.0001713300000000, -0.0001495100000000, -0.0000834800000000 ] - [ -0.0011522800000000, 0.0046943100000000, -0.0062941000000000 ] - [ 0.0001465400000000, 0.0001289300000000, -0.0000646600000000 ] - [ -0.0024515600000000, 0.0027695200000000, -0.0023933800000000 ] - [ -0.0001859600000000, -0.0001124700000000, 0.0001257600000000 ] - [ 0.0001989600000000, -0.0001676100000000, -0.0000651100000000 ] - [ 0.0001915200000000, -0.0001784900000000, -0.0000616100000000 ] - [ 0.0001465400000000, -0.0001289300000000, -0.0000646600000000 ] - [ -0.0011522800000000, -0.0046943100000000, -0.0062941000000000 ] - [ -0.0001814500000000, 0.0001392900000000, -0.0001077100000000 ] - [ -0.0001713300000000, 0.0001495100000000, -0.0000834800000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007671000000000, 0.0000000000000000, 0.0002267300000000 ] - [ -0.0005450600000000, 0.0000000000000000, 0.0000102800000000 ] - [ -0.0003342300000000, -0.0001609300000000, -0.0002303900000000 ] - [ -0.0003342300000000, 0.0001609300000000, -0.0002303900000000 ] - [ 0.0004948800000000, -0.0000010800000000, 0.0000600500000000 ] - [ 0.0004948800000000, 0.0000010800000000, 0.0000600500000000 ] - [ 0.0000405500000000, 0.0000000000000000, -0.0001347700000000 ] - [ -0.0000326000000000, 0.0000000000000000, -0.0001382900000000 ] - [ 0.0001221900000000, 0.0000000000000000, 0.0002636200000000 ] - [ -0.0001698600000000, 0.0000000000000000, 0.0001460200000000 ] - [ 0.0003518500000000, -0.0000004800000000, -0.0001686700000000 ] - [ 0.0003518500000000, 0.0000004800000000, -0.0001686700000000 ] - [ 0.0002800100000000, -0.0005809400000000, 0.0000111200000000 ] - [ 0.0002800100000000, 0.0005809400000000, 0.0000111200000000 ] - [ 0.0007362700000000, 0.0000000000000000, -0.0000531700000000 ] - [ -0.0000747400000000, 0.0000000000000000, -0.0001718200000000 ] - [ 0.0004300300000000, 0.0000000000000000, 0.0003494900000000 ] - [ 0.0003442300000000, 0.0000000000000000, 0.0004004600000000 ] - [ -0.0002211000000000, -0.0002056100000000, -0.0002934400000000 ] - [ -0.0002211000000000, 0.0002056100000000, -0.0002934400000000 ] - [ -0.0000957100000000, 0.0000082500000000, 0.0003709300000000 ] - [ -0.0000957100000000, -0.0000082500000000, 0.0003709300000000 ] - [ 0.0020363400000000, 0.0000000000000000, -0.0002789400000000 ] - [ 0.0002323100000000, 0.0000000000000000, -0.0003701900000000 ] - [ -0.0071372000000000, 0.0000000000000000, -0.0012386300000000 ] - [ -0.0004764400000000, 0.0000000000000000, -0.0006124900000000 ] - [ -0.0000579100000000, 0.0002714800000000, 0.0009307700000000 ] - [ -0.0000579100000000, -0.0002714800000000, 0.0009307700000000 ] - [ 0.0004093700000000, -0.0000395200000000, -0.0006464100000000 ] - [ 0.0004093700000000, 0.0000395200000000, -0.0006464100000000 ] - [ 0.0000174500000000, 0.0000000000000000, 0.0006890700000000 ] - [ -0.0000034400000000, 0.0000000000000000, 0.0006963900000000 ] - [ 0.0006596900000000, 0.0000000000000000, -0.0001876600000000 ] - [ 0.0004451500000000, 0.0000000000000000, 0.0004045000000000 ] - [ 0.0000902400000000, 0.0008687500000000, -0.0000407300000000 ] - [ 0.0000902400000000, -0.0008687500000000, -0.0000407300000000 ] - [ -0.0002597300000000, -0.0001144300000000, 0.0003804900000000 ] - [ -0.0002597300000000, 0.0001144300000000, 0.0003804900000000 ] - [ 0.0002684600000000, 0.0000000000000000, -0.0003813500000000 ] - [ 0.0002648700000000, 0.0000000000000000, -0.0003819800000000 ] - [ 0.0004527400000000, 0.0000000000000000, 0.0020024000000000 ] - [ 0.0002493800000000, 0.0000000000000000, -0.0006960100000000 ] - [ -0.0006195000000000, 0.0000305000000000, 0.0005138500000000 ] - [ -0.0006195000000000, -0.0000305000000000, 0.0005138500000000 ] - [ -0.0004234600000000, -0.0001914300000000, -0.0007484300000000 ] - [ -0.0004234600000000, 0.0001914300000000, -0.0007484300000000 ] - [ 0.0003363200000000, 0.0000000000000000, 0.0009199600000000 ] - [ 0.0003106100000000, 0.0000000000000000, 0.0009036500000000 ] - [ 0.0005521000000000, 0.0001702800000000, -0.0004770300000000 ] - [ 0.0012369900000000, 0.0005247400000000, -0.0011217800000000 ] - [ 0.0002899600000000, 0.0001215700000000, -0.0000087800000000 ] - [ -0.0001647200000000, 0.0004743000000000, 0.0003841700000000 ] - [ -0.0006587800000000, -0.0002288400000000, -0.0004274300000000 ] - [ -0.0005837200000000, -0.0000146000000000, -0.0004984900000000 ] - [ 0.0001999500000000, -0.0002598700000000, 0.0003960700000000 ] - [ 0.0002206500000000, -0.0002675100000000, 0.0003953900000000 ] - [ 0.0002899600000000, -0.0001215700000000, -0.0000087800000000 ] - [ -0.0001647200000000, -0.0004743000000000, 0.0003841700000000 ] - [ 0.0012369900000000, -0.0005247400000000, -0.0011217800000000 ] - [ 0.0005521000000000, -0.0001702800000000, -0.0004770300000000 ] - [ 0.0002206500000000, 0.0002675100000000, 0.0003953900000000 ] - [ 0.0001999500000000, 0.0002598700000000, 0.0003960700000000 ] - [ -0.0006587800000000, 0.0002288400000000, -0.0004274300000000 ] - [ -0.0005837200000000, 0.0000146000000000, -0.0004984900000000 ] - [ 0.0001175600000000, 0.0002818600000000, -0.0000742400000000 ] - [ -0.0001212900000000, -0.0000813600000000, -0.0000334800000000 ] - [ -0.0003827700000000, 0.0001871900000000, 0.0000539700000000 ] - [ -0.0002975400000000, 0.0002110900000000, 0.0000605300000000 ] - [ 0.0007620900000000, 0.0001682900000000, -0.0002430700000000 ] - [ 0.0000239000000000, -0.0000768600000000, -0.0001262500000000 ] - [ 0.0001222500000000, -0.0002339600000000, 0.0000390700000000 ] - [ 0.0001986300000000, 0.0000527800000000, 0.0003585900000000 ] - [ -0.0003827700000000, -0.0001871900000000, 0.0000539700000000 ] - [ -0.0002975400000000, -0.0002110900000000, 0.0000605300000000 ] - [ -0.0001212900000000, 0.0000813600000000, -0.0000334800000000 ] - [ 0.0001175600000000, -0.0002818600000000, -0.0000742400000000 ] - [ 0.0001986300000000, -0.0000527800000000, 0.0003585900000000 ] - [ 0.0001222500000000, 0.0002339600000000, 0.0000390700000000 ] - [ 0.0007620900000000, -0.0001682900000000, -0.0002430700000000 ] - [ 0.0000239000000000, 0.0000768600000000, -0.0001262500000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002638400000000, 0.0000000000000000, -0.0000319300000000 ] - [ 0.0000444100000000, 0.0000000000000000, 0.0001839500000000 ] - [ 0.0008322000000000, 0.0001594700000000, 0.0000354000000000 ] - [ 0.0008322000000000, -0.0001594700000000, 0.0000354000000000 ] - [ 0.0000054000000000, 0.0000012600000000, 0.0001346600000000 ] - [ 0.0000054000000000, -0.0000012600000000, 0.0001346600000000 ] - [ -0.0005404500000000, 0.0000000000000000, -0.0000602300000000 ] - [ -0.0004669400000000, 0.0000000000000000, -0.0000566700000000 ] - [ -0.0004437300000000, 0.0000000000000000, 0.0000412700000000 ] - [ -0.0001531000000000, 0.0000000000000000, 0.0001589800000000 ] - [ -0.0000288200000000, 0.0000007900000000, -0.0001361900000000 ] - [ -0.0000288200000000, -0.0000007900000000, -0.0001361900000000 ] - [ 0.0000440500000000, 0.0005823500000000, 0.0002941000000000 ] - [ 0.0000440500000000, -0.0005823500000000, 0.0002941000000000 ] - [ -0.0010493400000000, 0.0000000000000000, -0.0002506400000000 ] - [ -0.0002481700000000, 0.0000000000000000, -0.0001332500000000 ] - [ 0.0000536900000000, 0.0000000000000000, 0.0004133200000000 ] - [ 0.0001394400000000, 0.0000000000000000, 0.0003626700000000 ] - [ -0.0002615700000000, 0.0002043600000000, -0.0004694200000000 ] - [ -0.0002615700000000, -0.0002043600000000, -0.0004694200000000 ] - [ -0.0003875700000000, -0.0000079200000000, 0.0003920800000000 ] - [ -0.0003875700000000, 0.0000079200000000, 0.0003920800000000 ] - [ -0.0015732100000000, 0.0000000000000000, -0.0004872300000000 ] - [ 0.0002513000000000, 0.0000000000000000, -0.0003931600000000 ] - [ 0.0067123900000000, 0.0000000000000000, -0.0000056000000000 ] - [ 0.0000752000000000, 0.0000000000000000, -0.0007320300000000 ] - [ 0.0004563000000000, -0.0002706800000000, 0.0004144600000000 ] - [ 0.0004563000000000, 0.0002706800000000, 0.0004144600000000 ] - [ -0.0000086300000000, 0.0000396700000000, -0.0006982800000000 ] - [ -0.0000086300000000, -0.0000396700000000, -0.0006982800000000 ] - [ -0.0004175500000000, 0.0000000000000000, 0.0006556400000000 ] - [ -0.0003969600000000, 0.0000000000000000, 0.0006482600000000 ] - [ -0.0000944600000000, 0.0000000000000000, 0.0009796300000000 ] - [ 0.0001111600000000, 0.0000000000000000, 0.0003788900000000 ] - [ -0.0006348000000000, -0.0008693900000000, -0.0007432000000000 ] - [ -0.0006348000000000, 0.0008693900000000, -0.0007432000000000 ] - [ -0.0002939600000000, 0.0001144400000000, 0.0004028600000000 ] - [ -0.0002939600000000, -0.0001144400000000, 0.0004028600000000 ] - [ 0.0002873700000000, 0.0000000000000000, -0.0004026400000000 ] - [ 0.0002900200000000, 0.0000000000000000, -0.0004003000000000 ] - [ 0.0003370400000000, 0.0000000000000000, -0.0036940700000000 ] - [ 0.0005276600000000, 0.0000000000000000, -0.0009834200000000 ] - [ -0.0001614300000000, -0.0000297500000000, 0.0011659200000000 ] - [ -0.0001614300000000, 0.0000297500000000, 0.0011659200000000 ] - [ -0.0003573000000000, 0.0001919300000000, -0.0009319700000000 ] - [ -0.0003573000000000, -0.0001919300000000, -0.0009319700000000 ] - [ 0.0004448500000000, 0.0000000000000000, 0.0007607300000000 ] - [ 0.0004705300000000, 0.0000000000000000, 0.0007778700000000 ] - [ 0.0002654100000000, 0.0001944600000000, -0.0003892000000000 ] - [ -0.0004143200000000, -0.0001549800000000, 0.0002516800000000 ] - [ -0.0010824600000000, 0.0002767400000000, 0.0008575700000000 ] - [ -0.0006529700000000, -0.0001073000000000, 0.0004817400000000 ] - [ -0.0001590600000000, -0.0001354500000000, -0.0004382800000000 ] - [ -0.0002341100000000, -0.0003503500000000, -0.0003675900000000 ] - [ 0.0006164600000000, -0.0001055400000000, 0.0004695300000000 ] - [ 0.0005963200000000, -0.0000975200000000, 0.0004703500000000 ] - [ -0.0010824600000000, -0.0002767400000000, 0.0008575700000000 ] - [ -0.0006529700000000, 0.0001073000000000, 0.0004817400000000 ] - [ -0.0004143200000000, 0.0001549800000000, 0.0002516800000000 ] - [ 0.0002654100000000, -0.0001944600000000, -0.0003892000000000 ] - [ 0.0005963200000000, 0.0000975200000000, 0.0004703500000000 ] - [ 0.0006164600000000, 0.0001055400000000, 0.0004695300000000 ] - [ -0.0001590600000000, 0.0001354500000000, -0.0004382800000000 ] - [ -0.0002341100000000, 0.0003503500000000, -0.0003675900000000 ] - [ 0.0002389500000000, 0.0000447800000000, -0.0000766600000000 ] - [ 0.0004795000000000, 0.0004096500000000, -0.0001184500000000 ] - [ 0.0000244700000000, 0.0001398400000000, 0.0000965600000000 ] - [ -0.0000606000000000, 0.0001158900000000, 0.0000900200000000 ] - [ -0.0011463700000000, -0.0005175600000000, 0.0000684800000000 ] - [ -0.0003810400000000, -0.0002501900000000, -0.0000243000000000 ] - [ 0.0002347700000000, -0.0000945200000000, 0.0001105400000000 ] - [ 0.0001586900000000, -0.0003794700000000, -0.0002074300000000 ] - [ 0.0000244700000000, -0.0001398400000000, 0.0000965600000000 ] - [ -0.0000606000000000, -0.0001158900000000, 0.0000900200000000 ] - [ 0.0004795000000000, -0.0004096500000000, -0.0001184500000000 ] - [ 0.0002389500000000, -0.0000447800000000, -0.0000766600000000 ] - [ 0.0001586900000000, 0.0003794700000000, -0.0002074300000000 ] - [ 0.0002347700000000, 0.0000945200000000, 0.0001105400000000 ] - [ -0.0011463700000000, 0.0005175600000000, 0.0000684800000000 ] - [ -0.0003810400000000, 0.0002501900000000, -0.0000243000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002508400000000, -0.0005854800000000, 0.0000964400000000 ] - [ -0.0002498100000000, 0.0001927100000000, 0.0000970500000000 ] - [ 0.0002130500000000, 0.0004487300000000, -0.0004214600000000 ] - [ 0.0002859500000000, 0.0004462600000000, 0.0002218700000000 ] - [ 0.0002427500000000, 0.0000084600000000, 0.0001084400000000 ] - [ 0.0002568900000000, 0.0000083700000000, 0.0000857600000000 ] - [ -0.0002496800000000, -0.0000671100000000, -0.0000972600000000 ] - [ -0.0002497700000000, 0.0000425400000000, -0.0000972300000000 ] - [ -0.0001618700000000, -0.0002607800000000, 0.0001518600000000 ] - [ -0.0001620900000000, 0.0000658000000000, 0.0001520000000000 ] - [ 0.0003040800000000, -0.0000026300000000, -0.0001613500000000 ] - [ 0.0000196900000000, -0.0000028200000000, -0.0001428500000000 ] - [ -0.0003320700000000, 0.0006518700000000, 0.0002418500000000 ] - [ 0.0006495100000000, 0.0006456500000000, 0.0000641300000000 ] - [ -0.0001627800000000, -0.0004327700000000, -0.0001517800000000 ] - [ -0.0001618900000000, 0.0002099600000000, -0.0001521300000000 ] - [ 0.0002420200000000, -0.0003696800000000, 0.0003813400000000 ] - [ 0.0002416800000000, 0.0002109000000000, 0.0003815700000000 ] - [ -0.0003271000000000, 0.0001741800000000, -0.0003950800000000 ] - [ -0.0001555500000000, 0.0001750200000000, -0.0003679400000000 ] - [ -0.0001259100000000, 0.0000081900000000, 0.0003699600000000 ] - [ -0.0003572100000000, 0.0000080300000000, 0.0003932000000000 ] - [ 0.0002436700000000, -0.0004021300000000, -0.0003811600000000 ] - [ 0.0002415100000000, 0.0000613300000000, -0.0003816000000000 ] - [ -0.0001918700000000, -0.0071850100000000, -0.0007268900000000 ] - [ -0.0002000900000000, 0.0001751000000000, -0.0006723200000000 ] - [ 0.0004732000000000, 0.0005660800000000, 0.0010020300000000 ] - [ -0.0000689900000000, 0.0005609700000000, 0.0003459100000000 ] - [ 0.0001604800000000, 0.0000164200000000, -0.0006747800000000 ] - [ 0.0002396200000000, 0.0000164200000000, -0.0006696200000000 ] - [ -0.0001999800000000, -0.0000582600000000, 0.0006722000000000 ] - [ -0.0002000600000000, 0.0000424000000000, 0.0006722000000000 ] - [ 0.0002728400000000, -0.0024191700000000, 0.0003809400000000 ] - [ 0.0002758000000000, 0.0002223300000000, 0.0003890600000000 ] - [ -0.0005150400000000, 0.0009651500000000, -0.0001675000000000 ] - [ -0.0000296300000000, 0.0009655500000000, -0.0006114700000000 ] - [ -0.0003316000000000, 0.0000611100000000, 0.0004068500000000 ] - [ -0.0002134900000000, 0.0000612300000000, 0.0003685200000000 ] - [ 0.0002727800000000, -0.0000881300000000, -0.0003869200000000 ] - [ 0.0002730000000000, 0.0000647700000000, -0.0003896400000000 ] - [ 0.0003989200000000, -0.0023568700000000, -0.0008279400000000 ] - [ 0.0003928700000000, 0.0001690800000000, -0.0008383900000000 ] - [ -0.0003929400000000, 0.0000772700000000, 0.0005199900000000 ] - [ -0.0003906200000000, 0.0000766000000000, 0.0011597300000000 ] - [ -0.0003856000000000, 0.0000836000000000, -0.0008562500000000 ] - [ -0.0004019500000000, 0.0000838000000000, -0.0008210600000000 ] - [ 0.0003933500000000, -0.0001867500000000, 0.0008380600000000 ] - [ 0.0003933400000000, 0.0001393400000000, 0.0008393900000000 ] - [ 0.0004846200000000, -0.0000558400000000, -0.0004618500000000 ] - [ 0.0000857000000000, 0.0035177500000000, -0.0024353600000000 ] - [ -0.0003063700000000, -0.0001764700000000, 0.0003616800000000 ] - [ -0.0006259900000000, -0.0001915500000000, 0.0004824100000000 ] - [ -0.0004911600000000, -0.0001768500000000, -0.0004167800000000 ] - [ -0.0003766700000000, -0.0002245100000000, -0.0004153100000000 ] - [ 0.0004081900000000, -0.0000922800000000, 0.0004697900000000 ] - [ 0.0004062000000000, -0.0002679900000000, 0.0003962000000000 ] - [ -0.0004988400000000, -0.0005569100000000, 0.0004989000000000 ] - [ -0.0001931600000000, -0.0005574200000000, 0.0003849000000000 ] - [ 0.0007212400000000, 0.0031940300000000, 0.0016448900000000 ] - [ 0.0003331200000000, -0.0004205400000000, -0.0004049400000000 ] - [ 0.0004118500000000, 0.0000975700000000, 0.0004706900000000 ] - [ 0.0004093400000000, 0.0002734800000000, 0.0003967900000000 ] - [ -0.0003268300000000, 0.0001886400000000, -0.0004502400000000 ] - [ -0.0004413100000000, 0.0001408100000000, -0.0004517300000000 ] - [ 0.0002124900000000, 0.0000946300000000, -0.0000778000000000 ] - [ 0.0000071800000000, 0.0001240900000000, -0.0000759100000000 ] - [ -0.0002917700000000, 0.0002962700000000, 0.0000480300000000 ] - [ -0.0001505200000000, 0.0000420200000000, 0.0000914300000000 ] - [ 0.0001630000000000, 0.0013567700000000, -0.0006479900000000 ] - [ -0.0001788100000000, -0.0003798700000000, -0.0000142800000000 ] - [ -0.0000149200000000, -0.0001128600000000, 0.0001109800000000 ] - [ 0.0003024700000000, -0.0004175500000000, -0.0001531600000000 ] - [ -0.0000656600000000, -0.0000328900000000, 0.0001014700000000 ] - [ -0.0002066800000000, -0.0002870500000000, 0.0000581300000000 ] - [ 0.0003500900000000, -0.0002051700000000, -0.0000741400000000 ] - [ 0.0001448100000000, -0.0002349800000000, -0.0000721000000000 ] - [ 0.0000541700000000, -0.0000884300000000, 0.0003023700000000 ] - [ 0.0003718000000000, 0.0002165400000000, 0.0000389300000000 ] - [ -0.0005381100000000, 0.0017000500000000, 0.0004816100000000 ] - [ -0.0001780400000000, -0.0000510900000000, -0.0001353400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000319600000000, 0.0000000000000000, 0.0013435100000000 ] - [ -0.0001809300000000, 0.0000000000000000, 0.0001550200000000 ] - [ 0.0003240200000000, -0.0001448900000000, 0.0002230700000000 ] - [ 0.0003240200000000, 0.0001448900000000, 0.0002230700000000 ] - [ 0.0002200500000000, 0.0000000200000000, 0.0000921200000000 ] - [ 0.0002200500000000, -0.0000000200000000, 0.0000921200000000 ] - [ -0.0002891800000000, 0.0000000000000000, -0.0001154200000000 ] - [ -0.0002931700000000, 0.0000000000000000, -0.0001059500000000 ] - [ -0.0001398600000000, 0.0000000000000000, 0.0002959000000000 ] - [ -0.0001868500000000, 0.0000000000000000, 0.0001718100000000 ] - [ 0.0001384700000000, 0.0000245800000000, -0.0001090300000000 ] - [ 0.0001384700000000, -0.0000245800000000, -0.0001090300000000 ] - [ -0.0000021500000000, 0.0001747200000000, -0.0000876200000000 ] - [ -0.0000021500000000, -0.0001747200000000, -0.0000876200000000 ] - [ 0.0001484700000000, 0.0000000000000000, -0.0003196000000000 ] - [ -0.0001622400000000, 0.0000000000000000, -0.0001812600000000 ] - [ 0.0002221400000000, 0.0000000000000000, 0.0004541900000000 ] - [ 0.0002293000000000, 0.0000000000000000, 0.0004074800000000 ] - [ -0.0004078400000000, 0.0000935400000000, -0.0002194300000000 ] - [ -0.0004078400000000, -0.0000935400000000, -0.0002194300000000 ] - [ -0.0002424600000000, 0.0000104600000000, 0.0003508600000000 ] - [ -0.0002424600000000, -0.0000104600000000, 0.0003508600000000 ] - [ 0.0002181700000000, 0.0000000000000000, -0.0006506300000000 ] - [ 0.0002209800000000, 0.0000000000000000, -0.0003951100000000 ] - [ -0.0007483400000000, 0.0000000000000000, -0.0159027300000000 ] - [ -0.0001410000000000, 0.0000000000000000, -0.0007334300000000 ] - [ 0.0004589400000000, 0.0003281700000000, 0.0005567100000000 ] - [ 0.0004589400000000, -0.0003281700000000, 0.0005567100000000 ] - [ 0.0001749000000000, 0.0000024500000000, -0.0006576200000000 ] - [ 0.0001749000000000, -0.0000024500000000, -0.0006576200000000 ] - [ -0.0002177200000000, 0.0000000000000000, 0.0006819800000000 ] - [ -0.0002253200000000, 0.0000000000000000, 0.0006792200000000 ] - [ -0.0025762400000000, 0.0000000000000000, 0.0009459300000000 ] - [ 0.0001098800000000, 0.0000000000000000, 0.0004408900000000 ] - [ 0.0000527300000000, -0.0002206000000000, -0.0001641700000000 ] - [ 0.0000527300000000, 0.0002206000000000, -0.0001641700000000 ] - [ -0.0002391700000000, -0.0000459600000000, 0.0003473600000000 ] - [ -0.0002391700000000, 0.0000459600000000, 0.0003473600000000 ] - [ 0.0002959200000000, 0.0000000000000000, -0.0004108000000000 ] - [ 0.0002873400000000, 0.0000000000000000, -0.0004110300000000 ] - [ 0.0032266500000000, 0.0000000000000000, 0.0057128600000000 ] - [ 0.0003669000000000, 0.0000000000000000, -0.0007460000000000 ] - [ -0.0005131700000000, 0.0000353800000000, 0.0009510400000000 ] - [ -0.0005131700000000, -0.0000353800000000, 0.0009510400000000 ] - [ -0.0003989700000000, 0.0000528100000000, -0.0008730800000000 ] - [ -0.0003989700000000, -0.0000528100000000, -0.0008730800000000 ] - [ 0.0003900600000000, 0.0000000000000000, 0.0008197200000000 ] - [ 0.0004319100000000, 0.0000000000000000, 0.0008380300000000 ] - [ 0.0004749300000000, 0.0001031900000000, -0.0004608400000000 ] - [ 0.0005246400000000, -0.0025508200000000, 0.0026572000000000 ] - [ -0.0011077100000000, 0.0000536200000000, 0.0005045100000000 ] - [ -0.0005120200000000, 0.0000933500000000, 0.0004542600000000 ] - [ -0.0004299000000000, -0.0002085700000000, -0.0003984800000000 ] - [ -0.0004050600000000, -0.0001680700000000, -0.0004143300000000 ] - [ 0.0004164600000000, -0.0001733100000000, 0.0004443400000000 ] - [ 0.0004252700000000, -0.0001658600000000, 0.0004494900000000 ] - [ -0.0011077100000000, -0.0000536200000000, 0.0005045100000000 ] - [ -0.0005120200000000, -0.0000933500000000, 0.0004542600000000 ] - [ 0.0005246400000000, 0.0025508200000000, 0.0026572000000000 ] - [ 0.0004749300000000, -0.0001031900000000, -0.0004608400000000 ] - [ 0.0004252700000000, 0.0001658600000000, 0.0004494900000000 ] - [ 0.0004164600000000, 0.0001733100000000, 0.0004443400000000 ] - [ -0.0004299000000000, 0.0002085700000000, -0.0003984800000000 ] - [ -0.0004050600000000, 0.0001680700000000, -0.0004143300000000 ] - [ 0.0002210300000000, 0.0001624200000000, -0.0000620900000000 ] - [ 0.0003424100000000, 0.0002242400000000, -0.0000552000000000 ] - [ -0.0001437000000000, 0.0001576300000000, 0.0000889900000000 ] - [ -0.0001864700000000, 0.0001329600000000, 0.0000873000000000 ] - [ 0.0003210000000000, 0.0005652900000000, 0.0000011000000000 ] - [ -0.0001634300000000, -0.0001416700000000, -0.0001494500000000 ] - [ 0.0000359700000000, -0.0002960100000000, -0.0000780200000000 ] - [ 0.0001437500000000, -0.0001335600000000, 0.0000337300000000 ] - [ -0.0001437000000000, -0.0001576300000000, 0.0000889900000000 ] - [ -0.0001864700000000, -0.0001329600000000, 0.0000873000000000 ] - [ 0.0003424100000000, -0.0002242400000000, -0.0000552000000000 ] - [ 0.0002210300000000, -0.0001624200000000, -0.0000620900000000 ] - [ 0.0001437500000000, 0.0001335600000000, 0.0000337300000000 ] - [ 0.0000359700000000, 0.0002960100000000, -0.0000780200000000 ] - [ 0.0003210000000000, -0.0005652900000000, 0.0000011000000000 ] - [ -0.0001634300000000, 0.0001416700000000, -0.0001494500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004617900000000, 0.0000000000000000, -0.0011453200000000 ] - [ -0.0003196500000000, 0.0000000000000000, 0.0000410100000000 ] - [ 0.0001760000000000, 0.0001460500000000, -0.0004197800000000 ] - [ 0.0001760000000000, -0.0001460500000000, -0.0004197800000000 ] - [ 0.0002800800000000, -0.0000000400000000, 0.0001038400000000 ] - [ 0.0002800800000000, 0.0000000400000000, 0.0001038400000000 ] - [ -0.0002117300000000, 0.0000000000000000, -0.0000805000000000 ] - [ -0.0002073900000000, 0.0000000000000000, -0.0000899300000000 ] - [ -0.0001823500000000, 0.0000000000000000, 0.0000103300000000 ] - [ -0.0001347400000000, 0.0000000000000000, 0.0001344900000000 ] - [ 0.0001829100000000, -0.0000246400000000, -0.0001970500000000 ] - [ 0.0001829100000000, 0.0000246400000000, -0.0001970500000000 ] - [ 0.0003248900000000, -0.0001757600000000, 0.0003934600000000 ] - [ 0.0003248900000000, 0.0001757600000000, 0.0003934600000000 ] - [ -0.0004717300000000, 0.0000000000000000, 0.0000124500000000 ] - [ -0.0001598200000000, 0.0000000000000000, -0.0001248500000000 ] - [ 0.0002614100000000, 0.0000000000000000, 0.0003096700000000 ] - [ 0.0002540100000000, 0.0000000000000000, 0.0003561700000000 ] - [ -0.0000752100000000, -0.0000943800000000, -0.0005436900000000 ] - [ -0.0000752100000000, 0.0000943800000000, -0.0005436900000000 ] - [ -0.0002415800000000, -0.0000103600000000, 0.0004128200000000 ] - [ -0.0002415800000000, 0.0000103600000000, 0.0004128200000000 ] - [ 0.0002697300000000, 0.0000000000000000, -0.0001123800000000 ] - [ 0.0002627200000000, 0.0000000000000000, -0.0003686500000000 ] - [ 0.0004858100000000, 0.0000000000000000, 0.0145271000000000 ] - [ -0.0002605800000000, 0.0000000000000000, -0.0006114400000000 ] - [ -0.0000576200000000, -0.0003279400000000, 0.0007867600000000 ] - [ -0.0000576200000000, 0.0003279400000000, 0.0007867600000000 ] - [ 0.0002267400000000, -0.0000025000000000, -0.0006872400000000 ] - [ 0.0002267400000000, 0.0000025000000000, -0.0006872400000000 ] - [ -0.0001841800000000, 0.0000000000000000, 0.0006625000000000 ] - [ -0.0001768900000000, 0.0000000000000000, 0.0006657000000000 ] - [ 0.0031165500000000, 0.0000000000000000, -0.0001451800000000 ] - [ 0.0004435500000000, 0.0000000000000000, 0.0003326900000000 ] - [ -0.0006062900000000, 0.0002168000000000, -0.0006122100000000 ] - [ -0.0006062900000000, -0.0002168000000000, -0.0006122100000000 ] - [ -0.0003066500000000, 0.0000459600000000, 0.0004208800000000 ] - [ -0.0003066500000000, -0.0000459600000000, 0.0004208800000000 ] - [ 0.0002545600000000, 0.0000000000000000, -0.0003621600000000 ] - [ 0.0002640900000000, 0.0000000000000000, -0.0003639400000000 ] - [ -0.0025463100000000, 0.0000000000000000, -0.0075645300000000 ] - [ 0.0004037400000000, 0.0000000000000000, -0.0009262400000000 ] - [ -0.0002564500000000, -0.0000338400000000, 0.0007189900000000 ] - [ -0.0002564500000000, 0.0000338400000000, 0.0007189900000000 ] - [ -0.0003716900000000, -0.0000530300000000, -0.0007927000000000 ] - [ -0.0003716900000000, 0.0000530300000000, -0.0007927000000000 ] - [ 0.0003831400000000, 0.0000000000000000, 0.0008483100000000 ] - [ 0.0003406900000000, 0.0000000000000000, 0.0008319600000000 ] - [ 0.0003410600000000, 0.0002607400000000, -0.0004040600000000 ] - [ 0.0002745900000000, 0.0028195100000000, -0.0034065100000000 ] - [ 0.0002977600000000, 0.0003196200000000, 0.0003644300000000 ] - [ -0.0003051100000000, 0.0002707000000000, 0.0004113300000000 ] - [ -0.0003867400000000, -0.0001547500000000, -0.0004672600000000 ] - [ -0.0004113600000000, -0.0001955000000000, -0.0004513400000000 ] - [ 0.0004001900000000, -0.0001904700000000, 0.0004214100000000 ] - [ 0.0003914800000000, -0.0001976000000000, 0.0004161400000000 ] - [ 0.0002977600000000, -0.0003196200000000, 0.0003644300000000 ] - [ -0.0003051100000000, -0.0002707000000000, 0.0004113300000000 ] - [ 0.0002745900000000, -0.0028195100000000, -0.0034065100000000 ] - [ 0.0003410600000000, -0.0002607400000000, -0.0004040600000000 ] - [ 0.0003914800000000, 0.0001976000000000, 0.0004161400000000 ] - [ 0.0004001900000000, 0.0001904700000000, 0.0004214100000000 ] - [ -0.0003867400000000, 0.0001547500000000, -0.0004672600000000 ] - [ -0.0004113600000000, 0.0001955000000000, -0.0004513400000000 ] - [ 0.0001369600000000, 0.0001595000000000, -0.0000900200000000 ] - [ 0.0000149700000000, 0.0000972600000000, -0.0000971600000000 ] - [ -0.0002151100000000, 0.0001659300000000, 0.0000624600000000 ] - [ -0.0001716800000000, 0.0001893200000000, 0.0000644000000000 ] - [ -0.0006939100000000, -0.0008968000000000, -0.0001693900000000 ] - [ -0.0001952800000000, -0.0001805400000000, -0.0000024600000000 ] - [ 0.0003213800000000, -0.0000284200000000, 0.0002286100000000 ] - [ 0.0002142500000000, -0.0001897300000000, 0.0001167200000000 ] - [ -0.0002151100000000, -0.0001659300000000, 0.0000624600000000 ] - [ -0.0001716800000000, -0.0001893200000000, 0.0000644000000000 ] - [ 0.0000149700000000, -0.0000972600000000, -0.0000971600000000 ] - [ 0.0001369600000000, -0.0001595000000000, -0.0000900200000000 ] - [ 0.0002142500000000, 0.0001897300000000, 0.0001167200000000 ] - [ 0.0003213800000000, 0.0000284200000000, 0.0002286100000000 ] - [ -0.0006939100000000, 0.0008968000000000, -0.0001693900000000 ] - [ -0.0001952800000000, 0.0001805400000000, -0.0000024600000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005569400000000, 0.0000000000000000, 0.0009459700000000 ] - [ 0.0000245700000000, 0.0000000000000000, 0.0002236500000000 ] - [ 0.0007545500000000, 0.0000089300000000, 0.0001167300000000 ] - [ 0.0007545500000000, -0.0000089300000000, 0.0001167300000000 ] - [ 0.0002673800000000, -0.0000018600000000, 0.0001183600000000 ] - [ 0.0002673800000000, 0.0000018600000000, 0.0001183600000000 ] - [ -0.0001735900000000, 0.0000000000000000, -0.0000748100000000 ] - [ -0.0002844400000000, 0.0000000000000000, -0.0001067200000000 ] - [ 0.0028264800000000, 0.0000000000000000, -0.0019819600000000 ] - [ -0.0003758700000000, 0.0000000000000000, 0.0001272800000000 ] - [ 0.0001614200000000, -0.0000130200000000, -0.0001445100000000 ] - [ 0.0001614200000000, 0.0000130200000000, -0.0001445100000000 ] - [ -0.0006705900000000, 0.0001593100000000, -0.0001562100000000 ] - [ -0.0006705900000000, -0.0001593100000000, -0.0001562100000000 ] - [ -0.0000982900000000, 0.0000000000000000, -0.0001589900000000 ] - [ -0.0000942700000000, 0.0000000000000000, -0.0001501100000000 ] - [ 0.0002856500000000, 0.0000000000000000, 0.0003963100000000 ] - [ 0.0002811300000000, 0.0000000000000000, 0.0003794300000000 ] - [ -0.0011042100000000, -0.0002051200000000, -0.0001589800000000 ] - [ -0.0011042100000000, 0.0002051200000000, -0.0001589800000000 ] - [ -0.0002368100000000, -0.0000091100000000, 0.0003729900000000 ] - [ -0.0002368100000000, 0.0000091100000000, 0.0003729900000000 ] - [ 0.0001125000000000, 0.0000000000000000, 0.0000550300000000 ] - [ 0.0000405200000000, 0.0000000000000000, -0.0003343300000000 ] - [ 0.0001761300000000, 0.0000000000000000, -0.0035293700000000 ] - [ -0.0000280600000000, 0.0000000000000000, -0.0008464900000000 ] - [ 0.0005620300000000, -0.0002430300000000, 0.0010093500000000 ] - [ 0.0005620300000000, 0.0002430300000000, 0.0010093500000000 ] - [ 0.0002196400000000, -0.0000580700000000, -0.0007108400000000 ] - [ 0.0002196400000000, 0.0000580700000000, -0.0007108400000000 ] - [ -0.0002041400000000, 0.0000000000000000, 0.0006558300000000 ] - [ -0.0002078200000000, 0.0000000000000000, 0.0006632500000000 ] - [ -0.0830388300000000, 0.0000000000000000, -0.0051097200000000 ] - [ -0.0011685300000000, 0.0000000000000000, 0.0004969600000000 ] - [ 0.0000420700000000, -0.0000613400000000, -0.0002425500000000 ] - [ 0.0000420700000000, 0.0000613400000000, -0.0002425500000000 ] - [ -0.0002830800000000, -0.0001208000000000, 0.0004619900000000 ] - [ -0.0002830800000000, 0.0001208000000000, 0.0004619900000000 ] - [ 0.0002922900000000, 0.0000000000000000, -0.0003829300000000 ] - [ 0.0002947200000000, 0.0000000000000000, -0.0003882500000000 ] - [ 0.0225960800000000, 0.0000000000000000, 0.0307637500000000 ] - [ 0.0007780500000000, 0.0000000000000000, -0.0005204400000000 ] - [ -0.0004241100000000, -0.0000772000000000, 0.0008918800000000 ] - [ -0.0004241100000000, 0.0000772000000000, 0.0008918800000000 ] - [ -0.0005130300000000, -0.0007701900000000, -0.0005857600000000 ] - [ -0.0005130300000000, 0.0007701900000000, -0.0005857600000000 ] - [ 0.0003854600000000, 0.0000000000000000, 0.0008294200000000 ] - [ 0.0004533800000000, 0.0000000000000000, 0.0008485700000000 ] - [ 0.0013314000000000, 0.0001634100000000, -0.0005504200000000 ] - [ 0.0299458800000000, -0.0298663900000000, -0.0079755300000000 ] - [ -0.0004980800000000, 0.0003084500000000, 0.0002406600000000 ] - [ -0.0006456400000000, 0.0000241500000000, 0.0004247400000000 ] - [ -0.0003606700000000, -0.0003039200000000, -0.0003975300000000 ] - [ -0.0002654000000000, -0.0001366300000000, -0.0005646900000000 ] - [ 0.0003915200000000, -0.0001769500000000, 0.0004358900000000 ] - [ 0.0004205900000000, -0.0001883300000000, 0.0004328300000000 ] - [ -0.0004980800000000, -0.0003084500000000, 0.0002406600000000 ] - [ -0.0006456400000000, -0.0000241500000000, 0.0004247400000000 ] - [ 0.0299458800000000, 0.0298663900000000, -0.0079755300000000 ] - [ 0.0013314000000000, -0.0001634100000000, -0.0005504200000000 ] - [ 0.0004205900000000, 0.0001883300000000, 0.0004328300000000 ] - [ 0.0003915200000000, 0.0001769500000000, 0.0004358900000000 ] - [ -0.0003606700000000, 0.0003039200000000, -0.0003975300000000 ] - [ -0.0002654000000000, 0.0001366300000000, -0.0005646900000000 ] - [ 0.0004967100000000, 0.0002570000000000, -0.0000856400000000 ] - [ 0.0000254500000000, -0.0010319900000000, -0.0007600600000000 ] - [ -0.0001703600000000, 0.0001792700000000, 0.0000700000000000 ] - [ -0.0002055800000000, 0.0001472800000000, 0.0000728000000000 ] - [ -0.0011539400000000, 0.0002801100000000, -0.0036960700000000 ] - [ -0.0001389800000000, -0.0001227700000000, -0.0002608800000000 ] - [ 0.0001709300000000, -0.0001806300000000, 0.0001886900000000 ] - [ 0.0001658900000000, -0.0002430300000000, 0.0000520900000000 ] - [ -0.0001703600000000, -0.0001792700000000, 0.0000700000000000 ] - [ -0.0002055800000000, -0.0001472800000000, 0.0000728000000000 ] - [ 0.0000254500000000, 0.0010319900000000, -0.0007600600000000 ] - [ 0.0004967100000000, -0.0002570000000000, -0.0000856400000000 ] - [ 0.0001658900000000, 0.0002430300000000, 0.0000520900000000 ] - [ 0.0001709300000000, 0.0001806300000000, 0.0001886900000000 ] - [ -0.0011539400000000, -0.0002801100000000, -0.0036960700000000 ] - [ -0.0001389800000000, 0.0001227700000000, -0.0002608800000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010408200000000, 0.0000000000000000, -0.0007445900000000 ] - [ -0.0005228500000000, 0.0000000000000000, -0.0000300400000000 ] - [ -0.0002519800000000, -0.0000075100000000, -0.0003157000000000 ] - [ -0.0002519800000000, 0.0000075100000000, -0.0003157000000000 ] - [ 0.0002297700000000, 0.0000019300000000, 0.0000749800000000 ] - [ 0.0002297700000000, -0.0000019300000000, 0.0000749800000000 ] - [ -0.0003292100000000, 0.0000000000000000, -0.0001227600000000 ] - [ -0.0002168000000000, 0.0000000000000000, -0.0000902900000000 ] - [ -0.0032136100000000, 0.0000000000000000, 0.0023430500000000 ] - [ 0.0000554700000000, 0.0000000000000000, 0.0001757400000000 ] - [ 0.0001606300000000, 0.0000131800000000, -0.0001625000000000 ] - [ 0.0001606300000000, -0.0000131800000000, -0.0001625000000000 ] - [ 0.0009966700000000, -0.0001579600000000, 0.0004557500000000 ] - [ 0.0009966700000000, 0.0001579600000000, 0.0004557500000000 ] - [ -0.0002258900000000, 0.0000000000000000, -0.0001478000000000 ] - [ -0.0002298100000000, 0.0000000000000000, -0.0001566400000000 ] - [ 0.0001982900000000, 0.0000000000000000, 0.0003641000000000 ] - [ 0.0002013400000000, 0.0000000000000000, 0.0003812800000000 ] - [ 0.0006244400000000, 0.0002010500000000, -0.0006034900000000 ] - [ 0.0006244400000000, -0.0002010500000000, -0.0006034900000000 ] - [ -0.0002479600000000, 0.0000093000000000, 0.0003881600000000 ] - [ -0.0002479600000000, -0.0000093000000000, 0.0003881600000000 ] - [ 0.0003765400000000, 0.0000000000000000, -0.0008210900000000 ] - [ 0.0004447800000000, 0.0000000000000000, -0.0004317000000000 ] - [ -0.0005848100000000, 0.0000000000000000, 0.0021754900000000 ] - [ -0.0003711900000000, 0.0000000000000000, -0.0005012500000000 ] - [ -0.0001651300000000, 0.0002414300000000, 0.0003377800000000 ] - [ -0.0001651300000000, -0.0002414300000000, 0.0003377800000000 ] - [ 0.0001787300000000, 0.0000588700000000, -0.0006364000000000 ] - [ 0.0001787300000000, -0.0000588700000000, -0.0006364000000000 ] - [ -0.0001978100000000, 0.0000000000000000, 0.0006878100000000 ] - [ -0.0001940500000000, 0.0000000000000000, 0.0006802500000000 ] - [ 0.0830306200000000, 0.0000000000000000, 0.0061631400000000 ] - [ 0.0017161800000000, 0.0000000000000000, 0.0002846500000000 ] - [ -0.0006010300000000, 0.0000623300000000, -0.0005382200000000 ] - [ -0.0006010300000000, -0.0000623300000000, -0.0005382200000000 ] - [ -0.0002728200000000, 0.0001198800000000, 0.0003151300000000 ] - [ -0.0002728200000000, -0.0001198800000000, 0.0003151300000000 ] - [ 0.0002679500000000, 0.0000000000000000, -0.0003980600000000 ] - [ 0.0002672900000000, 0.0000000000000000, -0.0003973900000000 ] - [ -0.0219211700000000, 0.0000000000000000, -0.0322319800000000 ] - [ -0.0000030700000000, 0.0000000000000000, -0.0011633100000000 ] - [ -0.0003527300000000, 0.0000763100000000, 0.0007853800000000 ] - [ -0.0003527300000000, -0.0000763100000000, 0.0007853800000000 ] - [ -0.0002651000000000, 0.0007884600000000, -0.0011017000000000 ] - [ -0.0002651000000000, -0.0007884600000000, -0.0011017000000000 ] - [ 0.0003926000000000, 0.0000000000000000, 0.0008479200000000 ] - [ 0.0003254200000000, 0.0000000000000000, 0.0008291500000000 ] - [ -0.0005094900000000, 0.0001865400000000, -0.0003173000000000 ] - [ -0.0287849700000000, 0.0294743300000000, 0.0069138900000000 ] - [ -0.0003224100000000, 0.0000512900000000, 0.0006195100000000 ] - [ -0.0001721800000000, 0.0003381600000000, 0.0004378800000000 ] - [ -0.0004562000000000, -0.0000586100000000, -0.0004700100000000 ] - [ -0.0005533600000000, -0.0002265300000000, -0.0003019600000000 ] - [ 0.0004291100000000, -0.0001851300000000, 0.0004283000000000 ] - [ 0.0003998600000000, -0.0001739500000000, 0.0004314400000000 ] - [ -0.0003224100000000, -0.0000512900000000, 0.0006195100000000 ] - [ -0.0001721800000000, -0.0003381600000000, 0.0004378800000000 ] - [ -0.0287849700000000, -0.0294743300000000, 0.0069138900000000 ] - [ -0.0005094900000000, -0.0001865400000000, -0.0003173000000000 ] - [ 0.0003998600000000, 0.0001739500000000, 0.0004314400000000 ] - [ 0.0004291100000000, 0.0001851300000000, 0.0004283000000000 ] - [ -0.0004562000000000, 0.0000586100000000, -0.0004700100000000 ] - [ -0.0005533600000000, 0.0002265300000000, -0.0003019600000000 ] - [ -0.0001422300000000, 0.0000675500000000, -0.0000678900000000 ] - [ 0.0003415200000000, 0.0013872400000000, 0.0006206200000000 ] - [ -0.0001850800000000, 0.0001480500000000, 0.0000784900000000 ] - [ -0.0001501300000000, 0.0001802300000000, 0.0000754300000000 ] - [ 0.0007997700000000, -0.0006171600000000, 0.0035394400000000 ] - [ -0.0002194900000000, -0.0002063700000000, 0.0001089700000000 ] - [ 0.0001860200000000, -0.0001497300000000, -0.0000400000000000 ] - [ 0.0001930800000000, -0.0000862200000000, 0.0000962000000000 ] - [ -0.0001850800000000, -0.0001480500000000, 0.0000784900000000 ] - [ -0.0001501300000000, -0.0001802300000000, 0.0000754300000000 ] - [ 0.0003415200000000, -0.0013872400000000, 0.0006206200000000 ] - [ -0.0001422300000000, -0.0000675500000000, -0.0000678900000000 ] - [ 0.0001930800000000, 0.0000862200000000, 0.0000962000000000 ] - [ 0.0001860200000000, 0.0001497300000000, -0.0000400000000000 ] - [ 0.0007997700000000, 0.0006171600000000, 0.0035394400000000 ] - [ -0.0002194900000000, 0.0002063700000000, 0.0001089700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002480800000000, -0.0020497700000000, 0.0001030400000000 ] - [ -0.0002505200000000, 0.0002407300000000, 0.0000963500000000 ] - [ 0.0004134300000000, 0.0007515900000000, 0.0006261400000000 ] - [ 0.0000893800000000, 0.0007439500000000, -0.0008191000000000 ] - [ 0.0002076100000000, 0.0000111700000000, 0.0000977400000000 ] - [ 0.0002923700000000, 0.0000104800000000, 0.0000957200000000 ] - [ -0.0002501000000000, -0.0002621600000000, -0.0000979400000000 ] - [ -0.0002493600000000, 0.0001041100000000, -0.0000976000000000 ] - [ -0.0001533600000000, -0.0004136400000000, 0.0001472900000000 ] - [ -0.0001610900000000, 0.0001412400000000, 0.0001517900000000 ] - [ 0.0002908700000000, 0.0000281200000000, -0.0001123900000000 ] - [ 0.0000334200000000, 0.0000273900000000, -0.0001924300000000 ] - [ -0.0005970700000000, 0.0008488400000000, -0.0007544300000000 ] - [ 0.0009217600000000, 0.0008396400000000, 0.0010534500000000 ] - [ -0.0001607500000000, -0.0003801800000000, -0.0001530300000000 ] - [ -0.0001619600000000, 0.0002201400000000, -0.0001527100000000 ] - [ 0.0002427500000000, -0.0002967300000000, 0.0003813800000000 ] - [ 0.0002416000000000, 0.0002005400000000, 0.0003813200000000 ] - [ -0.0010839400000000, 0.0011742400000000, 0.0001540200000000 ] - [ 0.0005932300000000, 0.0011602500000000, -0.0009135800000000 ] - [ -0.0001097200000000, 0.0000220000000000, 0.0003316200000000 ] - [ -0.0003733200000000, 0.0000213700000000, 0.0004304500000000 ] - [ 0.0002431100000000, -0.0003289000000000, -0.0003815000000000 ] - [ 0.0002421900000000, 0.0001462700000000, -0.0003821600000000 ] - [ -0.0002083500000000, -0.0024181100000000, -0.0006727800000000 ] - [ -0.0002005600000000, 0.0002234700000000, -0.0006718700000000 ] - [ 0.0010660100000000, 0.0009681500000000, 0.0004549400000000 ] - [ -0.0006723100000000, 0.0009633300000000, 0.0008927000000000 ] - [ 0.0000855300000000, 0.0000631800000000, -0.0006266400000000 ] - [ 0.0003144000000000, 0.0000620900000000, -0.0007184400000000 ] - [ -0.0001998400000000, -0.0000879500000000, 0.0006719700000000 ] - [ -0.0001997000000000, 0.0000650800000000, 0.0006718900000000 ] - [ -0.0007897000000000, -0.0839426500000000, 0.0008933400000000 ] - [ 0.0002791200000000, 0.0012552100000000, 0.0003847700000000 ] - [ -0.0003358200000000, 0.0003321700000000, -0.0002674600000000 ] - [ -0.0002129700000000, 0.0003283600000000, -0.0005083100000000 ] - [ -0.0003953800000000, 0.0000788700000000, 0.0003779300000000 ] - [ -0.0001551900000000, 0.0000771000000000, 0.0003989500000000 ] - [ 0.0002724200000000, -0.0001932400000000, -0.0003848000000000 ] - [ 0.0002737200000000, 0.0001298500000000, -0.0003864600000000 ] - [ 0.0003948700000000, -0.0001171800000000, -0.0009111800000000 ] - [ 0.0003887200000000, 0.0001658900000000, -0.0008428300000000 ] - [ -0.0003072300000000, 0.0002241600000000, 0.0007993200000000 ] - [ -0.0004762300000000, 0.0002222500000000, 0.0008790600000000 ] - [ -0.0004489400000000, 0.0006648300000000, -0.0012311000000000 ] - [ -0.0003461700000000, 0.0006606600000000, -0.0004515900000000 ] - [ 0.0003915000000000, -0.0001647000000000, 0.0008375000000000 ] - [ 0.0003918000000000, 0.0001257800000000, 0.0008384800000000 ] - [ 0.0013736000000000, -0.0006696900000000, -0.0007567800000000 ] - [ -0.0240264100000000, 0.0378246700000000, 0.0077420900000000 ] - [ -0.0007901800000000, 0.0001242600000000, 0.0006032200000000 ] - [ -0.0004001400000000, -0.0001045600000000, 0.0003719300000000 ] - [ -0.0004782900000000, -0.0001418800000000, -0.0004969100000000 ] - [ -0.0003846600000000, -0.0002216100000000, -0.0004234600000000 ] - [ 0.0004506500000000, -0.0000268000000000, 0.0004907700000000 ] - [ 0.0003878700000000, -0.0003049000000000, 0.0003903900000000 ] - [ -0.0000314300000000, -0.0002375600000000, 0.0002617300000000 ] - [ -0.0004160200000000, -0.0004718200000000, 0.0004915900000000 ] - [ 0.0259341500000000, 0.0387387800000000, -0.0090400100000000 ] - [ -0.0005710700000000, -0.0010252700000000, -0.0001047000000000 ] - [ 0.0004292600000000, 0.0000608500000000, 0.0004754200000000 ] - [ 0.0003665300000000, 0.0003391400000000, 0.0003749200000000 ] - [ -0.0003386600000000, 0.0002220100000000, -0.0003703400000000 ] - [ -0.0004334600000000, 0.0001435700000000, -0.0004445300000000 ] - [ 0.0002437700000000, -0.0000698900000000, -0.0000371500000000 ] - [ -0.0012643000000000, -0.0004988800000000, -0.0006129800000000 ] - [ -0.0002467200000000, 0.0002989300000000, 0.0000498300000000 ] - [ -0.0001372000000000, 0.0000542700000000, 0.0000861900000000 ] - [ -0.0001380500000000, 0.0028430900000000, -0.0030830400000000 ] - [ -0.0001497900000000, -0.0004729300000000, 0.0000414100000000 ] - [ -0.0002881300000000, -0.0001818400000000, -0.0001174900000000 ] - [ 0.0004035700000000, -0.0004343700000000, -0.0000023500000000 ] - [ -0.0001113300000000, -0.0000299600000000, 0.0000989700000000 ] - [ -0.0002207300000000, -0.0002750900000000, 0.0000625600000000 ] - [ 0.0016352700000000, -0.0008162000000000, 0.0004635700000000 ] - [ 0.0001157700000000, -0.0003949000000000, -0.0001116800000000 ] - [ -0.0000451900000000, -0.0001068900000000, 0.0001522500000000 ] - [ 0.0006418900000000, 0.0001508100000000, 0.0002648300000000 ] - [ -0.0002243500000000, 0.0031787300000000, 0.0029495000000000 ] - [ -0.0002083400000000, -0.0001414100000000, -0.0001905600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002198500000000, 0.0000000000000000, 0.0000772300000000 ] - [ -0.0002575900000000, 0.0000000000000000, 0.0000727000000000 ] - [ 0.0004477900000000, 0.0000150600000000, -0.0007477300000000 ] - [ 0.0004477900000000, -0.0000150600000000, -0.0007477300000000 ] - [ 0.0002547300000000, 0.0000020400000000, 0.0001215600000000 ] - [ 0.0002547300000000, -0.0000020400000000, 0.0001215600000000 ] - [ -0.0002344100000000, 0.0000000000000000, -0.0000526800000000 ] - [ -0.0002502100000000, 0.0000000000000000, -0.0000762600000000 ] - [ -0.0026116000000000, 0.0000000000000000, 0.0004200400000000 ] - [ -0.0001813600000000, 0.0000000000000000, 0.0001107000000000 ] - [ 0.0001517900000000, -0.0000013800000000, -0.0001629800000000 ] - [ 0.0001517900000000, 0.0000013800000000, -0.0001629800000000 ] - [ -0.0001491800000000, 0.0001569000000000, 0.0005380600000000 ] - [ -0.0001491800000000, -0.0001569000000000, 0.0005380600000000 ] - [ -0.0001697900000000, 0.0000000000000000, -0.0001172700000000 ] - [ -0.0001575000000000, 0.0000000000000000, -0.0001366700000000 ] - [ 0.0002579700000000, 0.0000000000000000, 0.0003627100000000 ] - [ 0.0002505300000000, 0.0000000000000000, 0.0003676400000000 ] - [ -0.0000836100000000, 0.0000283500000000, -0.0006792800000000 ] - [ -0.0000836100000000, -0.0000283500000000, -0.0006792800000000 ] - [ -0.0002402300000000, 0.0000001400000000, 0.0003875800000000 ] - [ -0.0002402300000000, -0.0000001400000000, 0.0003875800000000 ] - [ -0.0001723800000000, 0.0000000000000000, -0.0002209000000000 ] - [ 0.0002207700000000, 0.0000000000000000, -0.0003444500000000 ] - [ -0.0007761700000000, 0.0000000000000000, -0.0001342900000000 ] - [ -0.0001869300000000, 0.0000000000000000, -0.0006236300000000 ] - [ 0.0005467100000000, 0.0002206700000000, 0.0009025800000000 ] - [ 0.0005467100000000, -0.0002206700000000, 0.0009025800000000 ] - [ 0.0002094900000000, -0.0000180500000000, -0.0007130100000000 ] - [ 0.0002094900000000, 0.0000180500000000, -0.0007130100000000 ] - [ -0.0002110500000000, 0.0000000000000000, 0.0006508800000000 ] - [ -0.0002089000000000, 0.0000000000000000, 0.0006486700000000 ] - [ -0.0058456200000000, 0.0000000000000000, -0.0691788200000000 ] - [ 0.0003808800000000, 0.0000000000000000, -0.0001791700000000 ] - [ -0.0001260700000000, 0.0001198600000000, -0.0003227300000000 ] - [ -0.0001260700000000, -0.0001198600000000, -0.0003227300000000 ] - [ -0.0003471600000000, 0.0000102100000000, 0.0005876700000000 ] - [ -0.0003471600000000, -0.0000102100000000, 0.0005876700000000 ] - [ 0.0002625400000000, 0.0000000000000000, -0.0003716700000000 ] - [ 0.0002706600000000, 0.0000000000000000, -0.0003661200000000 ] - [ 0.0348063400000000, 0.0000000000000000, 0.0559614800000000 ] - [ 0.0007050400000000, 0.0000000000000000, -0.0008830100000000 ] - [ -0.0003931300000000, 0.0000319300000000, 0.0008630700000000 ] - [ -0.0003931300000000, -0.0000319300000000, 0.0008630700000000 ] - [ -0.0004354600000000, -0.0004606700000000, -0.0009583400000000 ] - [ -0.0004354600000000, 0.0004606700000000, -0.0009583400000000 ] - [ 0.0003931400000000, 0.0000000000000000, 0.0008445300000000 ] - [ 0.0004033100000000, 0.0000000000000000, 0.0008364300000000 ] - [ 0.0002087000000000, 0.0001770100000000, -0.0002980700000000 ] - [ -0.0089963400000000, 0.0114451900000000, 0.0078871200000000 ] - [ -0.0005897700000000, 0.0001670600000000, 0.0005962700000000 ] - [ -0.0004414000000000, 0.0002100500000000, 0.0004604800000000 ] - [ -0.0003294800000000, -0.0002105300000000, -0.0004197200000000 ] - [ -0.0002974100000000, -0.0001876800000000, -0.0005546200000000 ] - [ 0.0004020300000000, -0.0001788000000000, 0.0004272300000000 ] - [ 0.0004191900000000, -0.0001846200000000, 0.0004219300000000 ] - [ -0.0005897700000000, -0.0001670600000000, 0.0005962700000000 ] - [ -0.0004414000000000, -0.0002100500000000, 0.0004604800000000 ] - [ -0.0089963400000000, -0.0114451900000000, 0.0078871200000000 ] - [ 0.0002087000000000, -0.0001770100000000, -0.0002980700000000 ] - [ 0.0004191900000000, 0.0001846200000000, 0.0004219300000000 ] - [ 0.0004020300000000, 0.0001788000000000, 0.0004272300000000 ] - [ -0.0003294800000000, 0.0002105300000000, -0.0004197200000000 ] - [ -0.0002974100000000, 0.0001876800000000, -0.0005546200000000 ] - [ 0.0002913000000000, 0.0001039300000000, -0.0000953000000000 ] - [ -0.0002014300000000, -0.0005522700000000, -0.0001399100000000 ] - [ -0.0001847300000000, 0.0001678900000000, 0.0000617000000000 ] - [ -0.0001774800000000, 0.0001611700000000, 0.0000691800000000 ] - [ -0.0032470100000000, -0.0016738500000000, -0.0023186100000000 ] - [ -0.0003431700000000, -0.0001900000000000, 0.0001109300000000 ] - [ 0.0001967600000000, -0.0001463800000000, 0.0000787400000000 ] - [ 0.0002206600000000, -0.0001819500000000, 0.0000621700000000 ] - [ -0.0001847300000000, -0.0001678900000000, 0.0000617000000000 ] - [ -0.0001774800000000, -0.0001611700000000, 0.0000691800000000 ] - [ -0.0002014300000000, 0.0005522700000000, -0.0001399100000000 ] - [ 0.0002913000000000, -0.0001039300000000, -0.0000953000000000 ] - [ 0.0002206600000000, 0.0001819500000000, 0.0000621700000000 ] - [ 0.0001967600000000, 0.0001463800000000, 0.0000787400000000 ] - [ -0.0032470100000000, 0.0016738500000000, -0.0023186100000000 ] - [ -0.0003431700000000, 0.0001900000000000, 0.0001109300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002797800000000, 0.0000000000000000, 0.0001103000000000 ] - [ -0.0002421100000000, 0.0000000000000000, 0.0001230100000000 ] - [ 0.0000599800000000, -0.0000111500000000, 0.0005450800000000 ] - [ 0.0000599800000000, 0.0000111500000000, 0.0005450800000000 ] - [ 0.0002426300000000, -0.0000021700000000, 0.0000751600000000 ] - [ 0.0002426300000000, 0.0000021700000000, 0.0000751600000000 ] - [ -0.0002684700000000, 0.0000000000000000, -0.0001432300000000 ] - [ -0.0002521400000000, 0.0000000000000000, -0.0001195500000000 ] - [ 0.0022736300000000, 0.0000000000000000, -0.0001232700000000 ] - [ -0.0001377600000000, 0.0000000000000000, 0.0001934500000000 ] - [ 0.0001680600000000, 0.0000012200000000, -0.0001429400000000 ] - [ 0.0001680600000000, -0.0000012200000000, -0.0001429400000000 ] - [ 0.0004756200000000, -0.0001520300000000, -0.0002213900000000 ] - [ 0.0004756200000000, 0.0001520300000000, -0.0002213900000000 ] - [ -0.0001546800000000, 0.0000000000000000, -0.0001871900000000 ] - [ -0.0001659600000000, 0.0000000000000000, -0.0001683400000000 ] - [ 0.0002253800000000, 0.0000000000000000, 0.0003990400000000 ] - [ 0.0002316400000000, 0.0000000000000000, 0.0003947500000000 ] - [ -0.0003949200000000, -0.0000305000000000, -0.0000942000000000 ] - [ -0.0003949200000000, 0.0000305000000000, -0.0000942000000000 ] - [ -0.0002454800000000, -0.0000002900000000, 0.0003759800000000 ] - [ -0.0002454800000000, 0.0000002900000000, 0.0003759800000000 ] - [ 0.0006550500000000, 0.0000000000000000, -0.0005305600000000 ] - [ 0.0002648100000000, 0.0000000000000000, -0.0004189000000000 ] - [ 0.0003915200000000, 0.0000000000000000, -0.0012145700000000 ] - [ -0.0002126900000000, 0.0000000000000000, -0.0007206000000000 ] - [ -0.0001512600000000, -0.0002245800000000, 0.0004476400000000 ] - [ -0.0001512600000000, 0.0002245800000000, 0.0004476400000000 ] - [ 0.0001895100000000, 0.0000184200000000, -0.0006332800000000 ] - [ 0.0001895100000000, -0.0000184200000000, -0.0006332800000000 ] - [ -0.0001926300000000, 0.0000000000000000, 0.0006939700000000 ] - [ -0.0001949000000000, 0.0000000000000000, 0.0006960100000000 ] - [ 0.0054380800000000, 0.0000000000000000, 0.0675792000000000 ] - [ 0.0001693400000000, 0.0000000000000000, 0.0009467600000000 ] - [ -0.0004211200000000, -0.0001199800000000, -0.0004500000000000 ] - [ -0.0004211200000000, 0.0001199800000000, -0.0004500000000000 ] - [ -0.0001997000000000, -0.0000101500000000, 0.0001842400000000 ] - [ -0.0001997000000000, 0.0000101500000000, 0.0001842400000000 ] - [ 0.0002807500000000, 0.0000000000000000, -0.0003928900000000 ] - [ 0.0002769900000000, 0.0000000000000000, -0.0004050700000000 ] - [ -0.0331632800000000, 0.0000000000000000, -0.0554772600000000 ] - [ 0.0000723800000000, 0.0000000000000000, -0.0008011300000000 ] - [ -0.0003819100000000, -0.0000332700000000, 0.0008143700000000 ] - [ -0.0003819100000000, 0.0000332700000000, 0.0008143700000000 ] - [ -0.0003381600000000, 0.0004588100000000, -0.0007122200000000 ] - [ -0.0003381600000000, -0.0004588100000000, -0.0007122200000000 ] - [ 0.0003888700000000, 0.0000000000000000, 0.0008306100000000 ] - [ 0.0003737400000000, 0.0000000000000000, 0.0008406900000000 ] - [ 0.0006019800000000, 0.0001849200000000, -0.0005666200000000 ] - [ 0.0098359700000000, -0.0111078000000000, -0.0086394900000000 ] - [ -0.0002294300000000, 0.0001979300000000, 0.0002687100000000 ] - [ -0.0003759800000000, 0.0001540500000000, 0.0004044500000000 ] - [ -0.0004833900000000, -0.0001547000000000, -0.0004484100000000 ] - [ -0.0005166400000000, -0.0001820700000000, -0.0003108200000000 ] - [ 0.0004173200000000, -0.0001854900000000, 0.0004393100000000 ] - [ 0.0004000100000000, -0.0001796100000000, 0.0004446900000000 ] - [ -0.0002294300000000, -0.0001979300000000, 0.0002687100000000 ] - [ -0.0003759800000000, -0.0001540500000000, 0.0004044500000000 ] - [ 0.0098359700000000, 0.0111078000000000, -0.0086394900000000 ] - [ 0.0006019800000000, -0.0001849200000000, -0.0005666200000000 ] - [ 0.0004000100000000, 0.0001796100000000, 0.0004446900000000 ] - [ 0.0004173200000000, 0.0001854900000000, 0.0004393100000000 ] - [ -0.0004833900000000, 0.0001547000000000, -0.0004484100000000 ] - [ -0.0005166400000000, 0.0001820700000000, -0.0003108200000000 ] - [ 0.0000650500000000, 0.0002204000000000, -0.0000561100000000 ] - [ 0.0005507200000000, 0.0008714800000000, -0.0000203000000000 ] - [ -0.0001710300000000, 0.0001588200000000, 0.0000881900000000 ] - [ -0.0001782000000000, 0.0001654500000000, 0.0000807300000000 ] - [ 0.0029083900000000, 0.0013505200000000, 0.0021691500000000 ] - [ -0.0000190800000000, -0.0001399200000000, -0.0002547600000000 ] - [ 0.0001636100000000, -0.0001804300000000, 0.0000726400000000 ] - [ 0.0001385600000000, -0.0001469200000000, 0.0000875700000000 ] - [ -0.0001710300000000, -0.0001588200000000, 0.0000881900000000 ] - [ -0.0001782000000000, -0.0001654500000000, 0.0000807300000000 ] - [ 0.0005507200000000, -0.0008714800000000, -0.0000203000000000 ] - [ 0.0000650500000000, -0.0002204000000000, -0.0000561100000000 ] - [ 0.0001385600000000, 0.0001469200000000, 0.0000875700000000 ] - [ 0.0001636100000000, 0.0001804300000000, 0.0000726400000000 ] - [ 0.0029083900000000, -0.0013505200000000, 0.0021691500000000 ] - [ -0.0000190800000000, 0.0001399200000000, -0.0002547600000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0060275400000000, 0.0000000000000000, -0.0028097700000000 ] - [ -0.0003891400000000, 0.0000000000000000, 0.0000872700000000 ] - [ -0.0005824100000000, 0.0001183000000000, 0.0004155200000000 ] - [ -0.0005824100000000, -0.0001183000000000, 0.0004155200000000 ] - [ 0.0001623100000000, -0.0000358000000000, 0.0000949800000000 ] - [ 0.0001623100000000, 0.0000358000000000, 0.0000949800000000 ] - [ -0.0002772800000000, 0.0000000000000000, -0.0000929800000000 ] - [ -0.0002417700000000, 0.0000000000000000, -0.0000316500000000 ] - [ 0.0010019800000000, 0.0000000000000000, 0.0006903200000000 ] - [ 0.0001253900000000, 0.0000000000000000, 0.0002265000000000 ] - [ 0.0001094900000000, -0.0000056000000000, -0.0001510200000000 ] - [ 0.0001094900000000, 0.0000056000000000, -0.0001510200000000 ] - [ 0.0007627200000000, -0.0001383500000000, -0.0004530400000000 ] - [ 0.0007627200000000, 0.0001383500000000, -0.0004530400000000 ] - [ -0.0002040700000000, 0.0000000000000000, -0.0001496800000000 ] - [ -0.0002430400000000, 0.0000000000000000, -0.0001648100000000 ] - [ 0.0001993100000000, 0.0000000000000000, 0.0003764300000000 ] - [ 0.0001701300000000, 0.0000000000000000, 0.0003863600000000 ] - [ 0.0001925000000000, -0.0001531500000000, -0.0000345500000000 ] - [ 0.0001925000000000, 0.0001531500000000, -0.0000345500000000 ] - [ -0.0002861800000000, -0.0000037200000000, 0.0003873100000000 ] - [ -0.0002861800000000, 0.0000037200000000, 0.0003873100000000 ] - [ 0.0007982400000000, 0.0000000000000000, -0.0012335500000000 ] - [ 0.0005073200000000, 0.0000000000000000, -0.0004890500000000 ] - [ -0.0001510000000000, 0.0000000000000000, 0.0022186000000000 ] - [ -0.0003387300000000, 0.0000000000000000, -0.0006863500000000 ] - [ -0.0000278300000000, -0.0000003800000000, 0.0005461100000000 ] - [ -0.0000278300000000, 0.0000003800000000, 0.0005461100000000 ] - [ 0.0001687300000000, 0.0000077300000000, -0.0006548500000000 ] - [ 0.0001687300000000, -0.0000077300000000, -0.0006548500000000 ] - [ -0.0002535800000000, 0.0000000000000000, 0.0006714800000000 ] - [ -0.0002781500000000, 0.0000000000000000, 0.0006269300000000 ] - [ 0.0225761000000000, 0.0000000000000000, 0.0342778000000000 ] - [ 0.0006612900000000, 0.0000000000000000, 0.0007059200000000 ] - [ -0.0003136300000000, 0.0000869200000000, -0.0003935100000000 ] - [ -0.0003136300000000, -0.0000869200000000, -0.0003935100000000 ] - [ -0.0003923100000000, -0.0000563100000000, 0.0004323600000000 ] - [ -0.0003923100000000, 0.0000563100000000, 0.0004323600000000 ] - [ 0.0002658900000000, 0.0000000000000000, -0.0003898700000000 ] - [ 0.0003337900000000, 0.0000000000000000, -0.0004019600000000 ] - [ -0.0811157900000000, 0.0000000000000000, -0.0040263400000000 ] - [ -0.0008926400000000, 0.0000000000000000, -0.0004254900000000 ] - [ -0.0003224900000000, 0.0000261700000000, 0.0008353800000000 ] - [ -0.0003224900000000, -0.0000261700000000, 0.0008353800000000 ] - [ 0.0002861300000000, -0.0001728400000000, -0.0009175200000000 ] - [ 0.0002861300000000, 0.0001728400000000, -0.0009175200000000 ] - [ 0.0004156200000000, 0.0000000000000000, 0.0008226200000000 ] - [ 0.0003972700000000, 0.0000000000000000, 0.0007979200000000 ] - [ 0.0004070700000000, 0.0002330100000000, -0.0006719900000000 ] - [ 0.0005332800000000, -0.0007017000000000, -0.0038763700000000 ] - [ -0.0003798800000000, 0.0000171700000000, 0.0002421600000000 ] - [ -0.0002236400000000, 0.0002150600000000, 0.0004081400000000 ] - [ -0.0004298000000000, -0.0003692100000000, -0.0004273000000000 ] - [ -0.0002162100000000, -0.0006170800000000, -0.0004184200000000 ] - [ 0.0004533200000000, -0.0001488000000000, 0.0004484600000000 ] - [ 0.0004581400000000, -0.0001580000000000, 0.0004516200000000 ] - [ -0.0003798800000000, -0.0000171700000000, 0.0002421600000000 ] - [ -0.0002236400000000, -0.0002150600000000, 0.0004081400000000 ] - [ 0.0005332800000000, 0.0007017000000000, -0.0038763700000000 ] - [ 0.0004070700000000, -0.0002330100000000, -0.0006719900000000 ] - [ 0.0004581400000000, 0.0001580000000000, 0.0004516200000000 ] - [ 0.0004533200000000, 0.0001488000000000, 0.0004484600000000 ] - [ -0.0004298000000000, 0.0003692100000000, -0.0004273000000000 ] - [ -0.0002162100000000, 0.0006170800000000, -0.0004184200000000 ] - [ -0.0001488800000000, 0.0000254100000000, -0.0000909500000000 ] - [ -0.0004105400000000, -0.0001344700000000, -0.0000635200000000 ] - [ -0.0001467400000000, 0.0001618000000000, 0.0000835400000000 ] - [ -0.0001116500000000, 0.0001492500000000, 0.0000827600000000 ] - [ 0.0251775600000000, 0.0254156700000000, -0.0114788100000000 ] - [ 0.0003492000000000, 0.0000775200000000, -0.0004405700000000 ] - [ 0.0001622700000000, -0.0002127100000000, 0.0000621100000000 ] - [ 0.0002221400000000, -0.0001392800000000, 0.0000886400000000 ] - [ -0.0001467400000000, -0.0001618000000000, 0.0000835400000000 ] - [ -0.0001116500000000, -0.0001492500000000, 0.0000827600000000 ] - [ -0.0004105400000000, 0.0001344700000000, -0.0000635200000000 ] - [ -0.0001488800000000, -0.0000254100000000, -0.0000909500000000 ] - [ 0.0002221400000000, 0.0001392800000000, 0.0000886400000000 ] - [ 0.0001622700000000, 0.0002127100000000, 0.0000621100000000 ] - [ 0.0251775600000000, -0.0254156700000000, -0.0114788100000000 ] - [ 0.0003492000000000, -0.0000775200000000, -0.0004405700000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0063759400000000, 0.0000000000000000, 0.0029126400000000 ] - [ -0.0001175900000000, 0.0000000000000000, 0.0001084800000000 ] - [ 0.0010756700000000, -0.0001195400000000, -0.0006121400000000 ] - [ 0.0010756700000000, 0.0001195400000000, -0.0006121400000000 ] - [ 0.0003328800000000, 0.0000364300000000, 0.0001006300000000 ] - [ 0.0003328800000000, -0.0000364300000000, 0.0001006300000000 ] - [ -0.0002266800000000, 0.0000000000000000, -0.0001020600000000 ] - [ -0.0002623500000000, 0.0000000000000000, -0.0001633600000000 ] - [ -0.0013554100000000, 0.0000000000000000, -0.0003894400000000 ] - [ -0.0004563000000000, 0.0000000000000000, 0.0000796900000000 ] - [ 0.0002102000000000, 0.0000059800000000, -0.0001520000000000 ] - [ 0.0002102000000000, -0.0000059800000000, -0.0001520000000000 ] - [ -0.0004494300000000, 0.0001392800000000, 0.0007578300000000 ] - [ -0.0004494300000000, -0.0001392800000000, 0.0007578300000000 ] - [ -0.0001236600000000, 0.0000000000000000, -0.0001529400000000 ] - [ -0.0000853500000000, 0.0000000000000000, -0.0001383100000000 ] - [ 0.0002803400000000, 0.0000000000000000, 0.0003877100000000 ] - [ 0.0003089100000000, 0.0000000000000000, 0.0003780600000000 ] - [ -0.0006825200000000, 0.0001557100000000, -0.0007269000000000 ] - [ -0.0006825200000000, -0.0001557100000000, -0.0007269000000000 ] - [ -0.0002016600000000, 0.0000041500000000, 0.0003767900000000 ] - [ -0.0002016600000000, -0.0000041500000000, 0.0003767900000000 ] - [ -0.0003207600000000, 0.0000000000000000, 0.0004754300000000 ] - [ -0.0000306700000000, 0.0000000000000000, -0.0002724300000000 ] - [ -0.0002755100000000, 0.0000000000000000, -0.0035578700000000 ] - [ -0.0000679700000000, 0.0000000000000000, -0.0006565300000000 ] - [ 0.0004215200000000, 0.0000018200000000, 0.0008016200000000 ] - [ 0.0004215200000000, -0.0000018200000000, 0.0008016200000000 ] - [ 0.0002271700000000, -0.0000072400000000, -0.0006873200000000 ] - [ 0.0002271700000000, 0.0000072400000000, -0.0006873200000000 ] - [ -0.0001503000000000, 0.0000000000000000, 0.0006751300000000 ] - [ -0.0001249000000000, 0.0000000000000000, 0.0007203300000000 ] - [ -0.0219331200000000, 0.0000000000000000, -0.0336786700000000 ] - [ -0.0001110100000000, 0.0000000000000000, 0.0000781600000000 ] - [ -0.0002476500000000, -0.0000813300000000, -0.0003900500000000 ] - [ -0.0002476500000000, 0.0000813300000000, -0.0003900500000000 ] - [ -0.0001513500000000, 0.0000465800000000, 0.0003418700000000 ] - [ -0.0001513500000000, -0.0000465800000000, 0.0003418700000000 ] - [ 0.0002825400000000, 0.0000000000000000, -0.0003898000000000 ] - [ 0.0002157700000000, 0.0000000000000000, -0.0003800500000000 ] - [ 0.0824264800000000, 0.0000000000000000, 0.0019115300000000 ] - [ 0.0016731100000000, 0.0000000000000000, -0.0012533300000000 ] - [ -0.0004623900000000, -0.0000245800000000, 0.0008460200000000 ] - [ -0.0004623900000000, 0.0000245800000000, 0.0008460200000000 ] - [ -0.0010692100000000, 0.0001784500000000, -0.0007590100000000 ] - [ -0.0010692100000000, -0.0001784500000000, -0.0007590100000000 ] - [ 0.0003619700000000, 0.0000000000000000, 0.0008589200000000 ] - [ 0.0003775900000000, 0.0000000000000000, 0.0008829400000000 ] - [ 0.0004064100000000, 0.0001270500000000, -0.0001930200000000 ] - [ 0.0002909100000000, 0.0010348500000000, 0.0030223700000000 ] - [ -0.0004502000000000, 0.0003394800000000, 0.0006245200000000 ] - [ -0.0005985300000000, 0.0001519500000000, 0.0004588800000000 ] - [ -0.0003921200000000, 0.0000128400000000, -0.0004403300000000 ] - [ -0.0006150600000000, 0.0002654500000000, -0.0004475700000000 ] - [ 0.0003579900000000, -0.0002168600000000, 0.0004189100000000 ] - [ 0.0003533100000000, -0.0002071000000000, 0.0004152700000000 ] - [ -0.0004502000000000, -0.0003394800000000, 0.0006245200000000 ] - [ -0.0005985300000000, -0.0001519500000000, 0.0004588800000000 ] - [ 0.0002909100000000, -0.0010348500000000, 0.0030223700000000 ] - [ 0.0004064100000000, -0.0001270500000000, -0.0001930200000000 ] - [ 0.0003533100000000, 0.0002071000000000, 0.0004152700000000 ] - [ 0.0003579900000000, 0.0002168600000000, 0.0004189100000000 ] - [ -0.0003921200000000, -0.0000128400000000, -0.0004403300000000 ] - [ -0.0006150600000000, -0.0002654500000000, -0.0004475700000000 ] - [ 0.0004996400000000, 0.0003037300000000, -0.0000574900000000 ] - [ 0.0007677200000000, 0.0004789900000000, -0.0000780100000000 ] - [ -0.0002172100000000, 0.0001669800000000, 0.0000676300000000 ] - [ -0.0002517400000000, 0.0001793800000000, 0.0000687000000000 ] - [ -0.0257138900000000, -0.0263157300000000, 0.0116297800000000 ] - [ -0.0007119000000000, -0.0004120400000000, 0.0002927400000000 ] - [ 0.0001874200000000, -0.0001172400000000, 0.0000895600000000 ] - [ 0.0001294500000000, -0.0001878800000000, 0.0000635700000000 ] - [ -0.0002172100000000, -0.0001669800000000, 0.0000676300000000 ] - [ -0.0002517400000000, -0.0001793800000000, 0.0000687000000000 ] - [ 0.0007677200000000, -0.0004789900000000, -0.0000780100000000 ] - [ 0.0004996400000000, -0.0003037300000000, -0.0000574900000000 ] - [ 0.0001294500000000, 0.0001878800000000, 0.0000635700000000 ] - [ 0.0001874200000000, 0.0001172400000000, 0.0000895600000000 ] - [ -0.0257138900000000, 0.0263157300000000, 0.0116297800000000 ] - [ -0.0007119000000000, 0.0004120400000000, 0.0002927400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002650300000000, -0.0005976300000000, 0.0001067700000000 ] - [ -0.0002508400000000, 0.0001015100000000, 0.0000976100000000 ] - [ 0.0012257100000000, 0.0010701800000000, -0.0003552200000000 ] - [ -0.0007222900000000, 0.0010607500000000, 0.0001630100000000 ] - [ 0.0001128600000000, 0.0000309100000000, 0.0001580800000000 ] - [ 0.0003858200000000, 0.0000300600000000, 0.0000371300000000 ] - [ -0.0002508000000000, -0.0003003100000000, -0.0000970000000000 ] - [ -0.0002502000000000, 0.0001911800000000, -0.0000974400000000 ] - [ -0.0001634300000000, -0.0018185400000000, 0.0001483100000000 ] - [ -0.0001624000000000, 0.0002639100000000, 0.0001528500000000 ] - [ 0.0001817800000000, 0.0000071800000000, -0.0001519700000000 ] - [ 0.0001405400000000, 0.0000067400000000, -0.0001516100000000 ] - [ 0.0001386800000000, 0.0011090400000000, 0.0008979800000000 ] - [ 0.0001777700000000, 0.0011031800000000, -0.0006010600000000 ] - [ -0.0001617300000000, -0.0001490700000000, -0.0001518400000000 ] - [ -0.0001620700000000, 0.0000971600000000, -0.0001519100000000 ] - [ 0.0002414500000000, -0.0001342100000000, 0.0003819600000000 ] - [ 0.0002412000000000, 0.0000888400000000, 0.0003819500000000 ] - [ -0.0005074200000000, 0.0010258100000000, -0.0010021200000000 ] - [ 0.0000167500000000, 0.0010183700000000, 0.0002423700000000 ] - [ -0.0002161600000000, 0.0000063300000000, 0.0003752400000000 ] - [ -0.0002682900000000, 0.0000060000000000, 0.0003883900000000 ] - [ 0.0002393500000000, -0.0020408600000000, -0.0003782900000000 ] - [ 0.0002412400000000, 0.0002309000000000, -0.0003818100000000 ] - [ -0.0002053800000000, -0.0023562500000000, -0.0006867200000000 ] - [ -0.0002015200000000, 0.0001698000000000, -0.0006726500000000 ] - [ 0.0002298500000000, 0.0000784500000000, 0.0007074400000000 ] - [ 0.0001693500000000, 0.0000767500000000, 0.0006382600000000 ] - [ 0.0000077600000000, 0.0000849200000000, -0.0007251000000000 ] - [ 0.0003911700000000, 0.0000840200000000, -0.0006194100000000 ] - [ -0.0002005000000000, -0.0001862200000000, 0.0006729000000000 ] - [ -0.0002001000000000, 0.0001402400000000, 0.0006731100000000 ] - [ 0.0002529400000000, -0.0001176600000000, 0.0004380900000000 ] - [ 0.0002732700000000, 0.0001652800000000, 0.0003901900000000 ] - [ -0.0003537300000000, 0.0002241400000000, -0.0003566600000000 ] - [ -0.0002004100000000, 0.0002227300000000, -0.0004222200000000 ] - [ -0.0010556200000000, 0.0006640000000000, 0.0008492000000000 ] - [ 0.0005037700000000, 0.0006601900000000, -0.0000702900000000 ] - [ 0.0002767600000000, -0.0001644300000000, -0.0003894000000000 ] - [ 0.0002742200000000, 0.0001260500000000, -0.0003884300000000 ] - [ 0.0014010800000000, -0.0827979800000000, -0.0016081100000000 ] - [ 0.0003846500000000, 0.0009827000000000, -0.0008380000000000 ] - [ -0.0003664300000000, 0.0000321300000000, 0.0007926800000000 ] - [ -0.0004171400000000, 0.0000312400000000, 0.0008853900000000 ] - [ -0.0005700800000000, 0.0003446800000000, -0.0009085300000000 ] - [ -0.0002188300000000, 0.0003399800000000, -0.0007681500000000 ] - [ 0.0003917800000000, -0.0001277300000000, 0.0008391900000000 ] - [ 0.0003902800000000, 0.0001047600000000, 0.0008384200000000 ] - [ 0.0003178900000000, -0.0001795800000000, -0.0006788200000000 ] - [ -0.0005321800000000, 0.0038785500000000, 0.0020088300000000 ] - [ -0.0008686600000000, 0.0001016600000000, 0.0003903500000000 ] - [ -0.0003747800000000, 0.0000301700000000, 0.0004913500000000 ] - [ -0.0009823000000000, -0.0002042600000000, -0.0003450700000000 ] - [ -0.0000047000000000, -0.0005977800000000, -0.0003332400000000 ] - [ 0.0005015700000000, -0.0000393400000000, 0.0004683000000000 ] - [ 0.0003392900000000, -0.0003058600000000, 0.0004044900000000 ] - [ 0.0000476500000000, -0.0002661200000000, 0.0004767800000000 ] - [ -0.0004446000000000, -0.0003371100000000, 0.0003744700000000 ] - [ 0.0013647200000000, 0.0035174200000000, -0.0028698800000000 ] - [ 0.0005005700000000, -0.0005421500000000, -0.0001870800000000 ] - [ 0.0004761000000000, 0.0000596600000000, 0.0004617200000000 ] - [ 0.0003137000000000, 0.0003266800000000, 0.0003975600000000 ] - [ 0.0001656400000000, 0.0001545600000000, -0.0005207300000000 ] - [ -0.0008196200000000, -0.0002363900000000, -0.0005317200000000 ] - [ 0.0003423300000000, -0.0000767000000000, -0.0000806800000000 ] - [ -0.0004458600000000, 0.0001091700000000, 0.0000836400000000 ] - [ -0.0001979000000000, 0.0002720400000000, 0.0000375000000000 ] - [ -0.0001904900000000, 0.0000755700000000, 0.0000990800000000 ] - [ 0.0237668600000000, 0.0371706600000000, -0.0145740300000000 ] - [ -0.0006728200000000, -0.0010200300000000, 0.0002824000000000 ] - [ 0.0000636100000000, -0.0001321600000000, 0.0000926800000000 ] - [ 0.0002434100000000, -0.0002412200000000, 0.0000246600000000 ] - [ -0.0001613700000000, -0.0000555500000000, 0.0001131500000000 ] - [ -0.0001689400000000, -0.0002523000000000, 0.0000517000000000 ] - [ 0.0008090200000000, -0.0002261500000000, -0.0002310000000000 ] - [ 0.0000138400000000, -0.0004037400000000, -0.0000679700000000 ] - [ 0.0001120200000000, 0.0000856700000000, 0.0001265000000000 ] - [ 0.0002910000000000, 0.0001965700000000, 0.0000579900000000 ] - [ -0.0250486900000000, 0.0386376600000000, 0.0151345300000000 ] - [ 0.0003240500000000, -0.0006888400000000, -0.0004400200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0033320400000000, 0.0000000000000000, 0.0004525800000000 ] - [ -0.0001527900000000, 0.0000000000000000, 0.0000720500000000 ] - [ 0.0008341500000000, 0.0002650400000000, -0.0004292900000000 ] - [ 0.0008341500000000, -0.0002650400000000, -0.0004292900000000 ] - [ 0.0001729500000000, 0.0000258600000000, 0.0001215000000000 ] - [ 0.0001729500000000, -0.0000258600000000, 0.0001215000000000 ] - [ -0.0003506400000000, 0.0000000000000000, -0.0000336300000000 ] - [ -0.0003329800000000, 0.0000000000000000, -0.0000899400000000 ] - [ -0.0000120600000000, 0.0000000000000000, -0.0004642400000000 ] - [ -0.0001982600000000, 0.0000000000000000, 0.0001023800000000 ] - [ 0.0000967500000000, 0.0000011300000000, -0.0001585000000000 ] - [ 0.0000967500000000, -0.0000011300000000, -0.0001585000000000 ] - [ 0.0004466700000000, -0.0003727200000000, 0.0005770100000000 ] - [ 0.0004466700000000, 0.0003727200000000, 0.0005770100000000 ] - [ -0.0002684700000000, 0.0000000000000000, -0.0001059800000000 ] - [ -0.0001852500000000, 0.0000000000000000, -0.0001387600000000 ] - [ 0.0002000900000000, 0.0000000000000000, 0.0003496000000000 ] - [ 0.0002142000000000, 0.0000000000000000, 0.0003642400000000 ] - [ -0.0000079700000000, -0.0000248900000000, -0.0012254700000000 ] - [ -0.0000079700000000, 0.0000248900000000, -0.0012254700000000 ] - [ -0.0002949300000000, 0.0000001200000000, 0.0003933900000000 ] - [ -0.0002949300000000, -0.0000001200000000, 0.0003933900000000 ] - [ -0.0000786100000000, 0.0000000000000000, 0.0001881800000000 ] - [ 0.0001916400000000, 0.0000000000000000, -0.0003360800000000 ] - [ 0.0026800000000000, 0.0000000000000000, 0.0060573400000000 ] - [ -0.0000577800000000, 0.0000000000000000, -0.0005795100000000 ] - [ -0.0001222200000000, -0.0003168600000000, 0.0007826900000000 ] - [ -0.0001222200000000, 0.0003168600000000, 0.0007826900000000 ] - [ 0.0001102100000000, 0.0000167800000000, -0.0007101000000000 ] - [ 0.0001102100000000, -0.0000167800000000, -0.0007101000000000 ] - [ -0.0002811300000000, 0.0000000000000000, 0.0006544200000000 ] - [ -0.0002636500000000, 0.0000000000000000, 0.0006726500000000 ] - [ 0.0313468000000000, 0.0000000000000000, 0.0550251600000000 ] - [ 0.0005963500000000, 0.0000000000000000, 0.0003492400000000 ] - [ -0.0002230000000000, -0.0000387500000000, -0.0003626500000000 ] - [ -0.0002230000000000, 0.0000387500000000, -0.0003626500000000 ] - [ -0.0005310200000000, 0.0003880600000000, 0.0002643300000000 ] - [ -0.0005310200000000, -0.0003880600000000, 0.0002643300000000 ] - [ 0.0002846000000000, 0.0000000000000000, -0.0003812700000000 ] - [ 0.0002659300000000, 0.0000000000000000, -0.0003889800000000 ] - [ -0.0019091200000000, 0.0000000000000000, -0.0882022200000000 ] - [ 0.0007946400000000, 0.0000000000000000, -0.0017667300000000 ] - [ -0.0003888700000000, -0.0000458200000000, 0.0008618000000000 ] - [ -0.0003888700000000, 0.0000458200000000, 0.0008618000000000 ] - [ -0.0003047700000000, 0.0000703400000000, -0.0010985400000000 ] - [ -0.0003047700000000, -0.0000703400000000, -0.0010985400000000 ] - [ 0.0004023700000000, 0.0000000000000000, 0.0008204800000000 ] - [ 0.0004262800000000, 0.0000000000000000, 0.0008595900000000 ] - [ 0.0000131200000000, 0.0004183700000000, -0.0000763200000000 ] - [ -0.0016340000000000, 0.0012986100000000, -0.0023955400000000 ] - [ -0.0005900700000000, 0.0002182800000000, 0.0001368500000000 ] - [ -0.0004659900000000, 0.0001137100000000, 0.0003924300000000 ] - [ -0.0002197000000000, 0.0000096300000000, -0.0004813000000000 ] - [ -0.0003465800000000, -0.0002194600000000, -0.0003948700000000 ] - [ 0.0004717700000000, -0.0001535900000000, 0.0004455600000000 ] - [ 0.0004673800000000, -0.0001486400000000, 0.0004428200000000 ] - [ -0.0005900700000000, -0.0002182800000000, 0.0001368500000000 ] - [ -0.0004659900000000, -0.0001137100000000, 0.0003924300000000 ] - [ -0.0016340000000000, -0.0012986100000000, -0.0023955400000000 ] - [ 0.0000131200000000, -0.0004183700000000, -0.0000763200000000 ] - [ 0.0004673800000000, 0.0001486400000000, 0.0004428200000000 ] - [ 0.0004717700000000, 0.0001535900000000, 0.0004455600000000 ] - [ -0.0002197000000000, -0.0000096300000000, -0.0004813000000000 ] - [ -0.0003465800000000, 0.0002194600000000, -0.0003948700000000 ] - [ 0.0001656400000000, 0.0001262100000000, -0.0000006800000000 ] - [ 0.0002195100000000, 0.0004269900000000, 0.0004518800000000 ] - [ -0.0001328000000000, 0.0001654900000000, 0.0000702900000000 ] - [ -0.0001475800000000, 0.0001445700000000, 0.0000754600000000 ] - [ -0.0124542000000000, -0.0173034700000000, 0.0151485700000000 ] - [ -0.0005891900000000, -0.0003968800000000, 0.0002256500000000 ] - [ 0.0002488500000000, -0.0001425700000000, 0.0001293700000000 ] - [ 0.0002158400000000, -0.0002117100000000, 0.0000733700000000 ] - [ -0.0001328000000000, -0.0001654900000000, 0.0000702900000000 ] - [ -0.0001475800000000, -0.0001445700000000, 0.0000754600000000 ] - [ 0.0002195100000000, -0.0004269900000000, 0.0004518800000000 ] - [ 0.0001656400000000, -0.0001262100000000, -0.0000006800000000 ] - [ 0.0002158400000000, 0.0002117100000000, 0.0000733700000000 ] - [ 0.0002488500000000, 0.0001425700000000, 0.0001293700000000 ] - [ -0.0124542000000000, 0.0173034700000000, 0.0151485700000000 ] - [ -0.0005891900000000, 0.0003968800000000, 0.0002256500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0028442600000000, 0.0000000000000000, -0.0002437800000000 ] - [ -0.0003502500000000, 0.0000000000000000, 0.0001257200000000 ] - [ -0.0003379100000000, -0.0002626800000000, 0.0002385500000000 ] - [ -0.0003379100000000, 0.0002626800000000, 0.0002385500000000 ] - [ 0.0003286000000000, -0.0000256000000000, 0.0000751200000000 ] - [ 0.0003286000000000, 0.0000256000000000, 0.0000751200000000 ] - [ -0.0001495400000000, 0.0000000000000000, -0.0001653600000000 ] - [ -0.0001677500000000, 0.0000000000000000, -0.0001085100000000 ] - [ -0.0003115300000000, 0.0000000000000000, 0.0007734100000000 ] - [ -0.0001254800000000, 0.0000000000000000, 0.0002030300000000 ] - [ 0.0002245100000000, -0.0000008000000000, -0.0001458800000000 ] - [ 0.0002245100000000, 0.0000008000000000, -0.0001458800000000 ] - [ -0.0001364300000000, 0.0003758000000000, -0.0002818500000000 ] - [ -0.0001364300000000, -0.0003758000000000, -0.0002818500000000 ] - [ -0.0000514000000000, 0.0000000000000000, -0.0001993300000000 ] - [ -0.0001357900000000, 0.0000000000000000, -0.0001664600000000 ] - [ 0.0002854100000000, 0.0000000000000000, 0.0004137600000000 ] - [ 0.0002704300000000, 0.0000000000000000, 0.0003990900000000 ] - [ -0.0004846600000000, 0.0000277800000000, 0.0004679200000000 ] - [ -0.0004846600000000, -0.0000277800000000, 0.0004679200000000 ] - [ -0.0001898400000000, 0.0000001600000000, 0.0003689500000000 ] - [ -0.0001898400000000, -0.0000001600000000, 0.0003689500000000 ] - [ 0.0005680300000000, 0.0000000000000000, -0.0009531800000000 ] - [ 0.0002904400000000, 0.0000000000000000, -0.0004269400000000 ] - [ -0.0030176200000000, 0.0000000000000000, -0.0072260700000000 ] - [ -0.0003471500000000, 0.0000000000000000, -0.0007677800000000 ] - [ 0.0005267300000000, 0.0003220300000000, 0.0005611500000000 ] - [ 0.0005267300000000, -0.0003220300000000, 0.0005611500000000 ] - [ 0.0002916500000000, -0.0000166800000000, -0.0006352700000000 ] - [ 0.0002916500000000, 0.0000166800000000, -0.0006352700000000 ] - [ -0.0001201900000000, 0.0000000000000000, 0.0006923700000000 ] - [ -0.0001372800000000, 0.0000000000000000, 0.0006745600000000 ] - [ -0.0316625000000000, 0.0000000000000000, -0.0564164200000000 ] - [ -0.0000485600000000, 0.0000000000000000, 0.0004291100000000 ] - [ -0.0003298300000000, 0.0000405200000000, -0.0004124400000000 ] - [ -0.0003298300000000, -0.0000405200000000, -0.0004124400000000 ] - [ -0.0000153000000000, -0.0003913000000000, 0.0005073400000000 ] - [ -0.0000153000000000, 0.0003913000000000, 0.0005073400000000 ] - [ 0.0002651400000000, 0.0000000000000000, -0.0003927900000000 ] - [ 0.0002853400000000, 0.0000000000000000, -0.0003867000000000 ] - [ 0.0040410700000000, 0.0000000000000000, 0.0885695000000000 ] - [ -0.0000271600000000, 0.0000000000000000, 0.0000945500000000 ] - [ -0.0003854800000000, 0.0000469800000000, 0.0008166800000000 ] - [ -0.0003854800000000, -0.0000469800000000, 0.0008166800000000 ] - [ -0.0004729700000000, -0.0000700400000000, -0.0005785800000000 ] - [ -0.0004729700000000, 0.0000700400000000, -0.0005785800000000 ] - [ 0.0003704800000000, 0.0000000000000000, 0.0008588900000000 ] - [ 0.0003465800000000, 0.0000000000000000, 0.0008203400000000 ] - [ 0.0008093900000000, -0.0000619300000000, -0.0007969200000000 ] - [ 0.0024349800000000, -0.0009554300000000, 0.0014959700000000 ] - [ -0.0002343400000000, 0.0001435400000000, 0.0007291500000000 ] - [ -0.0003530900000000, 0.0002507000000000, 0.0004751000000000 ] - [ -0.0006017900000000, -0.0003719200000000, -0.0003855100000000 ] - [ -0.0004779600000000, -0.0001377900000000, -0.0004730200000000 ] - [ 0.0003426000000000, -0.0002099600000000, 0.0004217800000000 ] - [ 0.0003477400000000, -0.0002149000000000, 0.0004242100000000 ] - [ -0.0002343400000000, -0.0001435400000000, 0.0007291500000000 ] - [ -0.0003530900000000, -0.0002507000000000, 0.0004751000000000 ] - [ 0.0024349800000000, 0.0009554300000000, 0.0014959700000000 ] - [ 0.0008093900000000, 0.0000619300000000, -0.0007969200000000 ] - [ 0.0003477400000000, 0.0002149000000000, 0.0004242100000000 ] - [ 0.0003426000000000, 0.0002099600000000, 0.0004217800000000 ] - [ -0.0006017900000000, 0.0003719200000000, -0.0003855100000000 ] - [ -0.0004779600000000, 0.0001377900000000, -0.0004730200000000 ] - [ 0.0001911800000000, 0.0002010000000000, -0.0001482100000000 ] - [ 0.0001389700000000, -0.0001000000000000, -0.0006004700000000 ] - [ -0.0002269200000000, 0.0001610400000000, 0.0000790300000000 ] - [ -0.0002119900000000, 0.0001821100000000, 0.0000741000000000 ] - [ 0.0118881400000000, 0.0166911300000000, -0.0152952100000000 ] - [ 0.0002341100000000, 0.0000699700000000, -0.0003774800000000 ] - [ 0.0001043500000000, -0.0001854800000000, 0.0000190200000000 ] - [ 0.0001380400000000, -0.0001130100000000, 0.0000762700000000 ] - [ -0.0002269200000000, -0.0001610400000000, 0.0000790300000000 ] - [ -0.0002119900000000, -0.0001821100000000, 0.0000741000000000 ] - [ 0.0001389700000000, 0.0001000000000000, -0.0006004700000000 ] - [ 0.0001911800000000, -0.0002010000000000, -0.0001482100000000 ] - [ 0.0001380400000000, 0.0001130100000000, 0.0000762700000000 ] - [ 0.0001043500000000, 0.0001854800000000, 0.0000190200000000 ] - [ 0.0118881400000000, -0.0166911300000000, -0.0152952100000000 ] - [ 0.0002341100000000, -0.0000699700000000, -0.0003774800000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001485000000000, 0.0001163500000000, 0.0000923100000000 ] - [ 0.0019386700000000, 0.0010536700000000, 0.0009603100000000 ] - [ 0.0008137400000000, 0.0000736300000000, -0.0002337200000000 ] - [ 0.0004695800000000, 0.0002550900000000, -0.0000348300000000 ] - [ -0.0000254100000000, 0.0000050100000000, 0.0001207400000000 ] - [ 0.0000233300000000, -0.0000120500000000, 0.0001149100000000 ] - [ -0.0004561700000000, -0.0000249600000000, -0.0000645700000000 ] - [ -0.0005692300000000, 0.0000799000000000, -0.0001079000000000 ] - [ 0.0000086100000000, -0.0000480700000000, 0.0001948400000000 ] - [ -0.0007052100000000, -0.0000327800000000, 0.0005583000000000 ] - [ -0.0001157800000000, 0.0000500900000000, -0.0002166200000000 ] - [ 0.0000869600000000, -0.0000093000000000, -0.0001632700000000 ] - [ 0.0026506400000000, 0.0008703200000000, 0.0016032300000000 ] - [ 0.0002243100000000, 0.0002734400000000, 0.0001688200000000 ] - [ -0.0002741600000000, 0.0001380500000000, -0.0001170500000000 ] - [ -0.0005690000000000, -0.0002991200000000, -0.0000129600000000 ] - [ 0.0001376500000000, 0.0001276500000000, 0.0003344600000000 ] - [ 0.0000244500000000, -0.0002016100000000, 0.0002731800000000 ] - [ 0.0027925500000000, 0.0013249300000000, -0.0015527100000000 ] - [ -0.0001248200000000, 0.0002994800000000, -0.0003599600000000 ] - [ -0.0005045100000000, 0.0000421400000000, 0.0004741100000000 ] - [ -0.0003087900000000, -0.0000106200000000, 0.0003979900000000 ] - [ 0.0003898000000000, -0.0000332800000000, -0.0004443200000000 ] - [ 0.0000347000000000, 0.0001303200000000, -0.0005827900000000 ] - [ -0.0000559100000000, 0.0000753000000000, -0.0006059700000000 ] - [ 0.0006264300000000, -0.0003211800000000, -0.0005435500000000 ] - [ 0.0008936700000000, -0.0001093500000000, -0.0000397000000000 ] - [ 0.0004445900000000, 0.0002166400000000, 0.0005683100000000 ] - [ -0.0000510500000000, -0.0000821600000000, -0.0006505100000000 ] - [ 0.0000256300000000, 0.0000323800000000, -0.0006753800000000 ] - [ -0.0003882600000000, 0.0000023100000000, 0.0006549700000000 ] - [ -0.0004085000000000, 0.0000003500000000, 0.0006637400000000 ] - [ 0.0011824600000000, 0.0009715500000000, 0.0001946600000000 ] - [ 0.0294926800000000, -0.0246333300000000, -0.0089253900000000 ] - [ -0.0003660200000000, 0.0003801100000000, -0.0005671100000000 ] - [ -0.0005167000000000, -0.0000067800000000, -0.0004214100000000 ] - [ -0.0002287300000000, -0.0000708700000000, 0.0003110300000000 ] - [ -0.0001344500000000, 0.0000236600000000, 0.0002793900000000 ] - [ 0.0002791100000000, 0.0000215900000000, -0.0003991200000000 ] - [ 0.0002488500000000, -0.0000418400000000, -0.0003796300000000 ] - [ 0.0003854900000000, -0.0000910600000000, -0.0012386100000000 ] - [ 0.0005145900000000, -0.0009468000000000, -0.0028596800000000 ] - [ -0.0003590500000000, 0.0004587200000000, 0.0006587600000000 ] - [ -0.0002044600000000, -0.0000353700000000, 0.0007806200000000 ] - [ -0.0004165500000000, -0.0005733700000000, -0.0010290200000000 ] - [ -0.0001948200000000, 0.0004086800000000, -0.0009040400000000 ] - [ 0.0004389200000000, 0.0000691700000000, 0.0007788300000000 ] - [ 0.0004327600000000, -0.0000934700000000, 0.0007744200000000 ] - [ -0.0318166400000000, 0.0247394600000000, 0.0086747000000000 ] - [ 0.0007394100000000, -0.0009312400000000, -0.0005168500000000 ] - [ -0.0004145800000000, -0.0001019700000000, 0.0004142100000000 ] - [ -0.0004151400000000, 0.0003171000000000, 0.0005644200000000 ] - [ -0.0003681200000000, -0.0003414900000000, -0.0002571700000000 ] - [ -0.0002039800000000, -0.0001327300000000, -0.0004279800000000 ] - [ 0.0006047000000000, -0.0001351900000000, 0.0004422500000000 ] - [ 0.0006093500000000, -0.0000767400000000, 0.0004754600000000 ] - [ -0.0003865700000000, -0.0002519900000000, 0.0004616200000000 ] - [ 0.0000287300000000, -0.0004394200000000, 0.0004971200000000 ] - [ -0.0024893600000000, -0.0010987300000000, 0.0002792300000000 ] - [ -0.0049868300000000, -0.0014388600000000, 0.0011760400000000 ] - [ 0.0007351500000000, 0.0001518700000000, 0.0004347300000000 ] - [ 0.0005870400000000, 0.0000695300000000, 0.0004824800000000 ] - [ -0.0002919000000000, 0.0003914000000000, -0.0002786900000000 ] - [ -0.0002923300000000, 0.0001177500000000, -0.0004424200000000 ] - [ 0.0014548500000000, 0.0004315900000000, 0.0001263900000000 ] - [ 0.0001087700000000, 0.0000081300000000, -0.0001110500000000 ] - [ -0.0000199100000000, 0.0000845300000000, 0.0000826500000000 ] - [ -0.0000673100000000, 0.0002121800000000, 0.0000812500000000 ] - [ -0.0003549800000000, -0.0003477600000000, 0.0001822100000000 ] - [ -0.0005226200000000, -0.0003002900000000, -0.0005654300000000 ] - [ 0.0004479300000000, -0.0005237800000000, 0.0000126000000000 ] - [ 0.0001950600000000, 0.0000224000000000, 0.0000536500000000 ] - [ -0.0000798200000000, -0.0001998300000000, 0.0000821000000000 ] - [ 0.0000418700000000, -0.0000740400000000, 0.0000993900000000 ] - [ 0.0001858600000000, 0.0001942900000000, -0.0000296200000000 ] - [ 0.0001787000000000, -0.0008128400000000, 0.0001499900000000 ] - [ 0.0008794300000000, -0.0001852900000000, 0.0003700900000000 ] - [ 0.0001125500000000, 0.0001379000000000, 0.0000940900000000 ] - [ -0.0006075300000000, 0.0003570700000000, -0.0000114200000000 ] - [ -0.0010258900000000, 0.0003337900000000, -0.0004241300000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003499700000000, -0.0001166000000000, 0.0001038000000000 ] - [ -0.0023808300000000, -0.0009906300000000, -0.0007167500000000 ] - [ -0.0003060800000000, -0.0000777200000000, 0.0000362600000000 ] - [ 0.0000325900000000, -0.0002531600000000, -0.0001579500000000 ] - [ 0.0005242100000000, -0.0000050400000000, 0.0000742900000000 ] - [ 0.0004754500000000, 0.0000120300000000, 0.0000800000000000 ] - [ -0.0000445400000000, 0.0000248200000000, -0.0001297500000000 ] - [ 0.0000680900000000, -0.0000803700000000, -0.0000863400000000 ] - [ -0.0003311500000000, 0.0000476100000000, 0.0001084100000000 ] - [ 0.0003800900000000, 0.0000346200000000, -0.0002556200000000 ] - [ 0.0004383800000000, -0.0000500200000000, -0.0000877000000000 ] - [ 0.0002361600000000, 0.0000092500000000, -0.0001409400000000 ] - [ -0.0023492400000000, -0.0009076300000000, -0.0013399600000000 ] - [ 0.0000971000000000, -0.0002707500000000, 0.0001348300000000 ] - [ -0.0000496800000000, -0.0001375600000000, -0.0001869300000000 ] - [ 0.0002429800000000, 0.0002978000000000, -0.0002901400000000 ] - [ 0.0003451800000000, -0.0001271800000000, 0.0004285500000000 ] - [ 0.0004579100000000, 0.0002010700000000, 0.0004896200000000 ] - [ -0.0033541000000000, -0.0013933300000000, 0.0008391100000000 ] - [ -0.0003624300000000, -0.0002998600000000, -0.0004027900000000 ] - [ 0.0000200500000000, -0.0000420000000000, 0.0002893100000000 ] - [ -0.0001750300000000, 0.0000103600000000, 0.0003654700000000 ] - [ 0.0000932700000000, 0.0000330600000000, -0.0003186200000000 ] - [ 0.0004454000000000, -0.0001305100000000, -0.0001789000000000 ] - [ -0.0003440600000000, -0.0000755700000000, -0.0007397200000000 ] - [ -0.0010270300000000, 0.0003140700000000, -0.0007945400000000 ] - [ -0.0004787800000000, 0.0000823400000000, 0.0013666500000000 ] - [ -0.0000439000000000, -0.0002155500000000, 0.0007762800000000 ] - [ 0.0004496400000000, 0.0000823200000000, -0.0006943900000000 ] - [ 0.0003732300000000, -0.0000322900000000, -0.0006691400000000 ] - [ -0.0000127100000000, -0.0000023900000000, 0.0006894700000000 ] - [ 0.0000076500000000, -0.0000004400000000, 0.0006806600000000 ] - [ -0.0006521900000000, -0.0009721800000000, 0.0005863800000000 ] - [ -0.0292333800000000, 0.0253179800000000, 0.0099076600000000 ] - [ -0.0001809400000000, -0.0003797300000000, -0.0002085200000000 ] - [ -0.0000297400000000, 0.0000076400000000, -0.0003557500000000 ] - [ -0.0003163200000000, 0.0000693800000000, 0.0004664400000000 ] - [ -0.0004112500000000, -0.0000240900000000, 0.0004993100000000 ] - [ 0.0002735300000000, -0.0000206500000000, -0.0003831800000000 ] - [ 0.0003000300000000, 0.0000420700000000, -0.0003994500000000 ] - [ 0.0003956700000000, 0.0000907500000000, -0.0004383100000000 ] - [ 0.0002813100000000, 0.0009509500000000, 0.0012122100000000 ] - [ -0.0004241400000000, -0.0004570100000000, 0.0010128500000000 ] - [ -0.0005764200000000, 0.0000348700000000, 0.0008926100000000 ] - [ -0.0003734500000000, 0.0005749600000000, -0.0006453900000000 ] - [ -0.0005884400000000, -0.0004057400000000, -0.0007706500000000 ] - [ 0.0003447100000000, -0.0000690600000000, 0.0008947700000000 ] - [ 0.0003482300000000, 0.0000931300000000, 0.0009021400000000 ] - [ 0.0329585000000000, -0.0249802500000000, -0.0097997800000000 ] - [ 0.0000907900000000, 0.0012796500000000, -0.0003537400000000 ] - [ -0.0004032600000000, 0.0004650300000000, 0.0004506200000000 ] - [ -0.0004039100000000, 0.0000470300000000, 0.0003021800000000 ] - [ -0.0004489300000000, -0.0000236500000000, -0.0006095500000000 ] - [ -0.0006124200000000, -0.0002318600000000, -0.0004385800000000 ] - [ 0.0002132500000000, -0.0002295700000000, 0.0004241500000000 ] - [ 0.0002083000000000, -0.0002873900000000, 0.0003910800000000 ] - [ -0.0004322700000000, -0.0001124700000000, 0.0004047000000000 ] - [ -0.0008476000000000, 0.0000769800000000, 0.0003697000000000 ] - [ 0.0032898700000000, 0.0007690900000000, -0.0011394000000000 ] - [ 0.0058149900000000, 0.0010598100000000, -0.0020503300000000 ] - [ 0.0000822500000000, 0.0002129500000000, 0.0004315100000000 ] - [ 0.0002306700000000, 0.0002947400000000, 0.0003840900000000 ] - [ -0.0005252100000000, -0.0000259300000000, -0.0005874700000000 ] - [ -0.0005247600000000, 0.0002466100000000, -0.0004242000000000 ] - [ -0.0011125900000000, -0.0001092500000000, -0.0002793900000000 ] - [ 0.0002490600000000, 0.0003185700000000, -0.0000388500000000 ] - [ -0.0003375800000000, 0.0002432000000000, 0.0000671400000000 ] - [ -0.0002903100000000, 0.0001152900000000, 0.0000689500000000 ] - [ -0.0000031800000000, 0.0000169300000000, -0.0003294700000000 ] - [ 0.0001727100000000, -0.0000278100000000, 0.0004118700000000 ] - [ -0.0000889200000000, 0.0001926500000000, 0.0001372400000000 ] - [ 0.0001621700000000, -0.0003506100000000, 0.0000962900000000 ] - [ -0.0002778700000000, -0.0001282700000000, 0.0000678600000000 ] - [ -0.0003993900000000, -0.0002530900000000, 0.0000507200000000 ] - [ 0.0001738300000000, -0.0005204000000000, -0.0001204500000000 ] - [ 0.0001845200000000, 0.0004798800000000, -0.0002971400000000 ] - [ -0.0005204000000000, 0.0005133500000000, -0.0002202500000000 ] - [ 0.0002441500000000, 0.0001904600000000, 0.0000560700000000 ] - [ 0.0002479200000000, -0.0000261400000000, -0.0001367500000000 ] - [ 0.0006705600000000, -0.0000095600000000, 0.0002655400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002215200000000, -0.0002403800000000, 0.0001279100000000 ] - [ 0.0015785500000000, 0.0027213300000000, 0.0012431600000000 ] - [ 0.0001261900000000, 0.0003394000000000, -0.0004226200000000 ] - [ -0.0000625300000000, -0.0004981500000000, -0.0003604500000000 ] - [ 0.0002957800000000, 0.0000005000000000, 0.0000984000000000 ] - [ 0.0004392400000000, 0.0000039100000000, 0.0000839200000000 ] - [ -0.0001978700000000, -0.0001405900000000, -0.0001269000000000 ] - [ -0.0001526800000000, 0.0001769500000000, -0.0001129300000000 ] - [ -0.0003045700000000, -0.0001833200000000, 0.0001529400000000 ] - [ 0.0003956600000000, 0.0003522500000000, -0.0000510200000000 ] - [ 0.0003346400000000, -0.0000068700000000, -0.0001126500000000 ] - [ 0.0001176400000000, -0.0000215900000000, -0.0001694200000000 ] - [ 0.0006838400000000, 0.0009633400000000, 0.0007951000000000 ] - [ 0.0003783000000000, -0.0005631000000000, 0.0003345500000000 ] - [ -0.0000880700000000, -0.0002083600000000, -0.0001646600000000 ] - [ -0.0002226100000000, 0.0002764700000000, -0.0001188000000000 ] - [ 0.0003076200000000, -0.0001845300000000, 0.0004031400000000 ] - [ 0.0002385500000000, 0.0002507700000000, 0.0003755900000000 ] - [ 0.0006338300000000, 0.0011272600000000, -0.0007958000000000 ] - [ 0.0000342500000000, -0.0003868300000000, -0.0004873300000000 ] - [ -0.0000534300000000, 0.0000016500000000, 0.0003359200000000 ] - [ -0.0002818400000000, -0.0000199000000000, 0.0004065600000000 ] - [ 0.0001147300000000, -0.0001806600000000, -0.0003628800000000 ] - [ 0.0004997400000000, 0.0003807200000000, -0.0004531900000000 ] - [ -0.0002132600000000, -0.0002376100000000, -0.0007504400000000 ] - [ 0.0001434900000000, 0.0033769800000000, -0.0033963100000000 ] - [ 0.0002856400000000, -0.0003744400000000, 0.0008015600000000 ] - [ -0.0000925600000000, -0.0003732000000000, 0.0007615700000000 ] - [ 0.0001534800000000, 0.0000056700000000, -0.0006449900000000 ] - [ 0.0003680900000000, -0.0000413300000000, -0.0006860900000000 ] - [ -0.0001156900000000, -0.0000854600000000, 0.0006879100000000 ] - [ -0.0001230200000000, 0.0000898900000000, 0.0006811400000000 ] - [ 0.0002604700000000, -0.0008553000000000, 0.0003882300000000 ] - [ -0.0299366900000000, 0.0389311000000000, 0.0118977500000000 ] - [ -0.0004041100000000, -0.0000595800000000, -0.0003716100000000 ] - [ -0.0001191900000000, -0.0002883400000000, -0.0004170000000000 ] - [ -0.0003992800000000, 0.0000381500000000, 0.0004168100000000 ] - [ -0.0002307700000000, -0.0000409500000000, 0.0003907300000000 ] - [ 0.0002830400000000, -0.0001238700000000, -0.0003900500000000 ] - [ 0.0002724800000000, 0.0001564600000000, -0.0003856500000000 ] - [ 0.0004417900000000, -0.0003617600000000, -0.0006015500000000 ] - [ -0.0004998800000000, 0.0037217500000000, 0.0002969900000000 ] - [ -0.0002293500000000, -0.0000853400000000, 0.0008022400000000 ] - [ -0.0004209800000000, -0.0001526200000000, 0.0009082900000000 ] - [ -0.0005798700000000, -0.0000273200000000, -0.0010294200000000 ] - [ -0.0008323100000000, -0.0004174200000000, -0.0007973900000000 ] - [ 0.0003688600000000, -0.0001237200000000, 0.0008710300000000 ] - [ 0.0003572600000000, 0.0001424900000000, 0.0008659000000000 ] - [ 0.0258299000000000, -0.0579023300000000, -0.0130572900000000 ] - [ -0.0007002300000000, 0.0017663300000000, 0.0000276200000000 ] - [ -0.0005426200000000, 0.0005064200000000, 0.0006018400000000 ] - [ -0.0001257100000000, 0.0005050600000000, 0.0004211900000000 ] - [ -0.0005678200000000, 0.0001112200000000, -0.0005674500000000 ] - [ -0.0003590000000000, -0.0003225200000000, -0.0003429700000000 ] - [ 0.0003614600000000, -0.0000972100000000, 0.0004592100000000 ] - [ 0.0003035600000000, -0.0003482000000000, 0.0003770200000000 ] - [ -0.0004777200000000, 0.0000719100000000, 0.0004669900000000 ] - [ -0.0006688700000000, -0.0007443200000000, 0.0007509000000000 ] - [ 0.0013529900000000, 0.0015510900000000, -0.0007382800000000 ] - [ 0.0016442000000000, 0.0067823100000000, -0.0005790200000000 ] - [ 0.0003776900000000, 0.0000795300000000, 0.0004677600000000 ] - [ 0.0002959900000000, 0.0003420900000000, 0.0003828800000000 ] - [ -0.0003444100000000, 0.0001331000000000, -0.0004543600000000 ] - [ -0.0006176100000000, 0.0001328100000000, -0.0004155600000000 ] - [ 0.0008183700000000, -0.0001303600000000, 0.0000056600000000 ] - [ 0.0002462100000000, 0.0003557800000000, -0.0000348200000000 ] - [ -0.0002792800000000, 0.0002679000000000, 0.0000520000000000 ] - [ -0.0001796400000000, 0.0000623200000000, 0.0000855900000000 ] - [ 0.0000700200000000, 0.0002529600000000, -0.0004215400000000 ] - [ -0.0000869300000000, -0.0017108400000000, -0.0000192700000000 ] - [ -0.0001955800000000, 0.0000812500000000, 0.0000671400000000 ] - [ 0.0004928100000000, -0.0000381300000000, 0.0001184200000000 ] - [ -0.0002127000000000, -0.0000527200000000, 0.0000884000000000 ] - [ -0.0002747000000000, -0.0002911600000000, 0.0000387700000000 ] - [ 0.0004512500000000, 0.0000270300000000, -0.0000373700000000 ] - [ -0.0000712800000000, 0.0003988700000000, -0.0002490000000000 ] - [ -0.0001734400000000, -0.0000469000000000, -0.0001008300000000 ] - [ 0.0002678900000000, 0.0003641200000000, -0.0000070700000000 ] - [ -0.0000669100000000, 0.0006538800000000, -0.0000386700000000 ] - [ 0.0001010600000000, 0.0004642100000000, 0.0017338400000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002787100000000, 0.0002402500000000, 0.0000667900000000 ] - [ -0.0020210100000000, -0.0026861500000000, -0.0010078700000000 ] - [ 0.0003803200000000, -0.0003568700000000, 0.0002539400000000 ] - [ 0.0005605300000000, 0.0004991200000000, 0.0001633800000000 ] - [ 0.0002036500000000, -0.0000006500000000, 0.0000960800000000 ] - [ 0.0000602900000000, -0.0000037000000000, 0.0001105200000000 ] - [ -0.0003012200000000, 0.0001403700000000, -0.0000677300000000 ] - [ -0.0003466500000000, -0.0001764400000000, -0.0000817500000000 ] - [ -0.0000175400000000, 0.0001832500000000, 0.0001515700000000 ] - [ -0.0007161800000000, -0.0003502100000000, 0.0003538700000000 ] - [ -0.0000106700000000, 0.0000062600000000, -0.0001916300000000 ] - [ 0.0002063100000000, 0.0000219800000000, -0.0001350800000000 ] - [ -0.0003893800000000, -0.0009893400000000, -0.0005254000000000 ] - [ -0.0000516100000000, 0.0005641800000000, -0.0000292200000000 ] - [ -0.0002359600000000, 0.0002086400000000, -0.0001401200000000 ] - [ -0.0000986600000000, -0.0002755600000000, -0.0001868500000000 ] - [ 0.0001753300000000, 0.0001847400000000, 0.0003603200000000 ] - [ 0.0002450400000000, -0.0002504400000000, 0.0003883200000000 ] - [ -0.0011593600000000, -0.0011515900000000, 0.0000554300000000 ] - [ -0.0005139300000000, 0.0003868400000000, -0.0002776000000000 ] - [ -0.0004300300000000, -0.0000022900000000, 0.0004270000000000 ] - [ -0.0002011400000000, 0.0000200700000000, 0.0003568800000000 ] - [ 0.0003696600000000, 0.0001805300000000, -0.0004007800000000 ] - [ -0.0000177200000000, -0.0003781800000000, -0.0003112500000000 ] - [ -0.0001879000000000, 0.0002374900000000, -0.0005941100000000 ] - [ -0.0005367200000000, -0.0033363500000000, 0.0019753100000000 ] - [ 0.0001296800000000, 0.0003590100000000, 0.0005349200000000 ] - [ 0.0004900900000000, 0.0003759000000000, 0.0005838700000000 ] - [ 0.0002467400000000, -0.0000061100000000, -0.0006993300000000 ] - [ 0.0000322500000000, 0.0000414500000000, -0.0006582900000000 ] - [ -0.0002844800000000, 0.0000853300000000, 0.0006568000000000 ] - [ -0.0002766700000000, -0.0000897100000000, 0.0006635500000000 ] - [ 0.0002814000000000, 0.0008397100000000, 0.0003966900000000 ] - [ 0.0294098800000000, -0.0376313400000000, -0.0106604200000000 ] - [ -0.0001465100000000, 0.0000552600000000, -0.0004019700000000 ] - [ -0.0004336200000000, 0.0002915800000000, -0.0003623500000000 ] - [ -0.0001516600000000, -0.0000402000000000, 0.0003614400000000 ] - [ -0.0003175700000000, 0.0000403300000000, 0.0003858700000000 ] - [ 0.0002665700000000, 0.0001247100000000, -0.0003864200000000 ] - [ 0.0002782500000000, -0.0001552500000000, -0.0003933100000000 ] - [ 0.0003346700000000, 0.0003608600000000, -0.0010802600000000 ] - [ 0.0012386100000000, -0.0036744800000000, -0.0019558800000000 ] - [ -0.0005518800000000, 0.0000814900000000, 0.0008784400000000 ] - [ -0.0003578200000000, 0.0001540800000000, 0.0007709400000000 ] - [ -0.0001980900000000, 0.0000234200000000, -0.0006488700000000 ] - [ 0.0000515100000000, 0.0004176500000000, -0.0008813500000000 ] - [ 0.0004148600000000, 0.0001236400000000, 0.0008066000000000 ] - [ 0.0004250400000000, -0.0001423200000000, 0.0008106800000000 ] - [ -0.0239020900000000, 0.0568030500000000, 0.0117058500000000 ] - [ 0.0015112900000000, -0.0014029300000000, -0.0008896100000000 ] - [ -0.0002731700000000, -0.0001416600000000, 0.0002611000000000 ] - [ -0.0006933800000000, -0.0001426700000000, 0.0004450000000000 ] - [ -0.0002503900000000, -0.0004759300000000, -0.0002991200000000 ] - [ -0.0004586000000000, -0.0000415900000000, -0.0005233100000000 ] - [ 0.0004563400000000, -0.0002674700000000, 0.0004067300000000 ] - [ 0.0005140600000000, -0.0000166200000000, 0.0004889700000000 ] - [ -0.0003387500000000, -0.0004379700000000, 0.0003983100000000 ] - [ -0.0001532600000000, 0.0003881600000000, 0.0001124100000000 ] - [ -0.0005143000000000, -0.0019019400000000, -0.0001364600000000 ] - [ -0.0008535300000000, -0.0070397400000000, -0.0002710000000000 ] - [ 0.0004395300000000, 0.0002849400000000, 0.0003984500000000 ] - [ 0.0005214300000000, 0.0000227500000000, 0.0004829200000000 ] - [ -0.0004738900000000, 0.0002320200000000, -0.0004116700000000 ] - [ -0.0002007900000000, 0.0002317800000000, -0.0004508300000000 ] - [ -0.0004558000000000, 0.0004637800000000, -0.0001531600000000 ] - [ 0.0001103300000000, -0.0000266400000000, -0.0001143500000000 ] - [ -0.0000781400000000, 0.0000603100000000, 0.0000981200000000 ] - [ -0.0001782100000000, 0.0002657600000000, 0.0000644000000000 ] - [ -0.0004282400000000, -0.0005805300000000, 0.0002734500000000 ] - [ -0.0002619800000000, 0.0013788600000000, -0.0001314100000000 ] - [ 0.0005549200000000, -0.0004087400000000, 0.0000841600000000 ] - [ -0.0001368900000000, -0.0002916200000000, 0.0000306700000000 ] - [ -0.0001448500000000, -0.0002753500000000, 0.0000617600000000 ] - [ -0.0000833200000000, -0.0000372100000000, 0.0001111700000000 ] - [ -0.0000954200000000, -0.0003535800000000, -0.0001135800000000 ] - [ 0.0004280400000000, -0.0007286200000000, 0.0000998000000000 ] - [ 0.0005262300000000, 0.0003794300000000, 0.0002488800000000 ] - [ 0.0000901300000000, -0.0000369700000000, 0.0001575600000000 ] - [ -0.0002903000000000, -0.0003250000000000, -0.0001102100000000 ] - [ -0.0004550100000000, -0.0001290400000000, -0.0018563700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002563900000000, -0.0000347400000000, 0.0001216800000000 ] - [ 0.0010474600000000, 0.0012930500000000, 0.0013137900000000 ] - [ 0.0001109400000000, -0.0004835000000000, 0.0016371200000000 ] - [ 0.0000403800000000, -0.0001401600000000, 0.0000243700000000 ] - [ 0.0002546000000000, 0.0000044700000000, 0.0000872800000000 ] - [ 0.0003222900000000, -0.0000016300000000, 0.0000746200000000 ] - [ -0.0002258800000000, -0.0000532100000000, -0.0001232900000000 ] - [ -0.0002160100000000, 0.0000781700000000, -0.0001350700000000 ] - [ -0.0001761400000000, -0.0000510800000000, 0.0001901300000000 ] - [ 0.0001541300000000, 0.0002167500000000, 0.0003227400000000 ] - [ 0.0002190400000000, -0.0000039900000000, -0.0001467100000000 ] - [ 0.0001761500000000, -0.0000088500000000, -0.0001626500000000 ] - [ 0.0013496100000000, 0.0008432100000000, 0.0013776400000000 ] - [ 0.0001404500000000, -0.0003103700000000, -0.0001646600000000 ] - [ -0.0001371500000000, -0.0000354000000000, -0.0001662800000000 ] - [ -0.0000033900000000, 0.0000692100000000, -0.0001893100000000 ] - [ 0.0002603600000000, -0.0000305900000000, 0.0003925800000000 ] - [ 0.0002183200000000, 0.0000480300000000, 0.0003758600000000 ] - [ -0.0013641800000000, -0.0007529900000000, 0.0008800700000000 ] - [ -0.0003023800000000, -0.0000941700000000, -0.0001969600000000 ] - [ -0.0001964800000000, 0.0000008700000000, 0.0003709300000000 ] - [ -0.0002377400000000, -0.0000066000000000, 0.0003891800000000 ] - [ 0.0002272500000000, -0.0000705900000000, -0.0004109800000000 ] - [ 0.0001821200000000, 0.0003960200000000, -0.0006867900000000 ] - [ -0.0002462800000000, -0.0000275200000000, -0.0007014100000000 ] - [ -0.0008789500000000, -0.0019878500000000, 0.0023010100000000 ] - [ -0.0002314800000000, 0.0000664600000000, 0.0007488800000000 ] - [ 0.0001532200000000, -0.0000482300000000, 0.0006948700000000 ] - [ 0.0001963500000000, -0.0000165900000000, -0.0006387400000000 ] - [ 0.0002668900000000, -0.0000183100000000, -0.0006541800000000 ] - [ -0.0001643500000000, -0.0000380700000000, 0.0006891100000000 ] - [ -0.0001647700000000, 0.0000363400000000, 0.0006846200000000 ] - [ 0.0001580700000000, -0.0003238800000000, 0.0005223300000000 ] - [ -0.0071616600000000, 0.0083848800000000, 0.0086019500000000 ] - [ -0.0004679400000000, -0.0001703500000000, -0.0002256400000000 ] - [ -0.0002827000000000, 0.0000604300000000, -0.0003601200000000 ] - [ -0.0003104300000000, 0.0000632600000000, 0.0004032900000000 ] - [ -0.0001413500000000, -0.0000115600000000, 0.0002654500000000 ] - [ 0.0002806500000000, -0.0000416600000000, -0.0004002400000000 ] - [ 0.0002640700000000, 0.0000589700000000, -0.0003906000000000 ] - [ 0.0001511500000000, -0.0002474600000000, -0.0004812000000000 ] - [ -0.0030576900000000, 0.0024430800000000, -0.0027820400000000 ] - [ -0.0005829000000000, 0.0000436000000000, 0.0005469400000000 ] - [ -0.0004149500000000, -0.0000575100000000, 0.0008000900000000 ] - [ -0.0003952000000000, -0.0000890100000000, -0.0008882400000000 ] - [ -0.0004078500000000, -0.0000986000000000, -0.0008039500000000 ] - [ 0.0003724800000000, -0.0000285200000000, 0.0008526800000000 ] - [ 0.0003811400000000, 0.0000352000000000, 0.0008563600000000 ] - [ 0.0096648600000000, -0.0122103600000000, -0.0193208100000000 ] - [ 0.0003289600000000, 0.0006341700000000, -0.0002558200000000 ] - [ -0.0002749300000000, 0.0001959700000000, 0.0005381100000000 ] - [ -0.0004250200000000, 0.0000131900000000, 0.0005388800000000 ] - [ -0.0005838700000000, -0.0000490100000000, -0.0004228100000000 ] - [ -0.0004123300000000, -0.0002733300000000, -0.0004228600000000 ] - [ 0.0003962800000000, -0.0001583800000000, 0.0004344800000000 ] - [ 0.0003644900000000, -0.0002395900000000, 0.0004178300000000 ] - [ -0.0003780900000000, -0.0001496600000000, 0.0004361600000000 ] - [ -0.0003442000000000, 0.0001347900000000, 0.0009533600000000 ] - [ 0.0011080200000000, 0.0001234500000000, -0.0016803200000000 ] - [ 0.0020165900000000, -0.0000456300000000, -0.0018400900000000 ] - [ 0.0004047300000000, 0.0001488600000000, 0.0004489900000000 ] - [ 0.0003559200000000, 0.0002348500000000, 0.0004228700000000 ] - [ -0.0003981800000000, 0.0002009300000000, -0.0004041900000000 ] - [ -0.0005614700000000, 0.0001623300000000, -0.0004045800000000 ] - [ 0.0005989100000000, 0.0001843300000000, -0.0002490800000000 ] - [ 0.0001775900000000, 0.0002640100000000, -0.0000430300000000 ] - [ -0.0002027100000000, 0.0002015200000000, 0.0000670900000000 ] - [ -0.0002005200000000, 0.0001335000000000, 0.0000830400000000 ] - [ 0.0000129700000000, 0.0001234400000000, -0.0001802200000000 ] - [ -0.0007432100000000, -0.0001728600000000, 0.0026269000000000 ] - [ 0.0001596600000000, -0.0001000900000000, 0.0001594700000000 ] - [ 0.0002972100000000, -0.0001074400000000, 0.0000473700000000 ] - [ -0.0001991700000000, -0.0001450200000000, 0.0000830900000000 ] - [ -0.0001994900000000, -0.0001973100000000, 0.0000595700000000 ] - [ 0.0002297800000000, -0.0001073900000000, -0.0002020200000000 ] - [ 0.0000150600000000, -0.0001515600000000, 0.0000304100000000 ] - [ 0.0000745500000000, 0.0001393300000000, -0.0000404400000000 ] - [ 0.0001850300000000, 0.0001876000000000, 0.0000889500000000 ] - [ -0.0001713100000000, 0.0002450600000000, 0.0000091800000000 ] - [ -0.0001989800000000, 0.0019212700000000, 0.0032039900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002445100000000, 0.0000346900000000, 0.0000744900000000 ] - [ -0.0015235200000000, -0.0012725900000000, -0.0011123600000000 ] - [ 0.0004019500000000, 0.0004376800000000, -0.0017707300000000 ] - [ 0.0004587500000000, 0.0001411500000000, -0.0002172500000000 ] - [ 0.0002456500000000, -0.0000043600000000, 0.0001084000000000 ] - [ 0.0001784200000000, 0.0000015600000000, 0.0001207300000000 ] - [ -0.0002741100000000, 0.0000530600000000, -0.0000723300000000 ] - [ -0.0002845800000000, -0.0000778500000000, -0.0000612700000000 ] - [ -0.0001442800000000, 0.0000506700000000, 0.0001152300000000 ] - [ -0.0004779000000000, -0.0002160000000000, -0.0000138500000000 ] - [ 0.0001028700000000, 0.0000038800000000, -0.0001583400000000 ] - [ 0.0001458500000000, 0.0000089900000000, -0.0001424000000000 ] - [ -0.0010643300000000, -0.0008833200000000, -0.0011007300000000 ] - [ 0.0001791500000000, 0.0003112200000000, 0.0004655300000000 ] - [ -0.0001846300000000, 0.0000355800000000, -0.0001389300000000 ] - [ -0.0003179100000000, -0.0000694300000000, -0.0001160800000000 ] - [ 0.0002234000000000, 0.0000308000000000, 0.0003706000000000 ] - [ 0.0002661400000000, -0.0000479800000000, 0.0003873500000000 ] - [ 0.0008612000000000, 0.0007376800000000, -0.0016399300000000 ] - [ -0.0001837800000000, 0.0000950000000000, -0.0005618300000000 ] - [ -0.0002876800000000, -0.0000009800000000, 0.0003921500000000 ] - [ -0.0002458600000000, 0.0000065000000000, 0.0003741000000000 ] - [ 0.0002572800000000, 0.0000704300000000, -0.0003522000000000 ] - [ 0.0003050100000000, -0.0003956400000000, -0.0000764200000000 ] - [ -0.0001560200000000, 0.0000273400000000, -0.0006439300000000 ] - [ 0.0004957300000000, 0.0020938500000000, -0.0037623700000000 ] - [ 0.0006329200000000, -0.0000700700000000, 0.0006065400000000 ] - [ 0.0002492100000000, 0.0000504100000000, 0.0006496400000000 ] - [ 0.0002050300000000, 0.0000163800000000, -0.0007058200000000 ] - [ 0.0001348700000000, 0.0000183000000000, -0.0006903300000000 ] - [ -0.0002372300000000, 0.0000378500000000, 0.0006559600000000 ] - [ -0.0002365500000000, -0.0000362400000000, 0.0006610500000000 ] - [ 0.0003910600000000, 0.0003282000000000, 0.0002562900000000 ] - [ 0.0077267700000000, -0.0083908200000000, -0.0079293000000000 ] - [ -0.0000856500000000, 0.0001708200000000, -0.0005560000000000 ] - [ -0.0002674900000000, -0.0000593900000000, -0.0004180100000000 ] - [ -0.0002421500000000, -0.0000635200000000, 0.0003772200000000 ] - [ -0.0004031000000000, 0.0000099000000000, 0.0005082000000000 ] - [ 0.0002763700000000, 0.0000424700000000, -0.0003793300000000 ] - [ 0.0002784900000000, -0.0000579900000000, -0.0003847900000000 ] - [ 0.0006306900000000, 0.0002459200000000, -0.0011994700000000 ] - [ 0.0038380700000000, -0.0024367300000000, 0.0011128600000000 ] - [ -0.0001987200000000, -0.0000429200000000, 0.0011359200000000 ] - [ -0.0003643800000000, 0.0000581300000000, 0.0008801500000000 ] - [ -0.0003825000000000, 0.0000872900000000, -0.0007919800000000 ] - [ -0.0003766500000000, 0.0001006600000000, -0.0008773100000000 ] - [ 0.0004064900000000, 0.0000284000000000, 0.0008307500000000 ] - [ 0.0004074500000000, -0.0000354100000000, 0.0008263400000000 ] - [ -0.0088077000000000, 0.0125460800000000, 0.0185335000000000 ] - [ 0.0004946800000000, -0.0002850400000000, -0.0006146500000000 ] - [ -0.0005398800000000, 0.0001703700000000, 0.0003258200000000 ] - [ -0.0003915000000000, 0.0003520700000000, 0.0003267600000000 ] - [ -0.0002338700000000, -0.0003157600000000, -0.0004419400000000 ] - [ -0.0004036200000000, -0.0000923300000000, -0.0004425700000000 ] - [ 0.0004179100000000, -0.0002088800000000, 0.0004307300000000 ] - [ 0.0004511200000000, -0.0001262000000000, 0.0004480200000000 ] - [ -0.0004377500000000, -0.0002167000000000, 0.0004298300000000 ] - [ -0.0004747700000000, -0.0005018400000000, -0.0000868700000000 ] - [ -0.0003084700000000, -0.0004772000000000, 0.0008201700000000 ] - [ -0.0012072100000000, -0.0003523300000000, 0.0009847200000000 ] - [ 0.0004107300000000, 0.0002168200000000, 0.0004168700000000 ] - [ 0.0004580000000000, 0.0001324800000000, 0.0004421600000000 ] - [ -0.0004179300000000, 0.0001650500000000, -0.0004604200000000 ] - [ -0.0002553900000000, 0.0002030000000000, -0.0004610600000000 ] - [ -0.0002372800000000, 0.0001405800000000, 0.0001001400000000 ] - [ 0.0001810900000000, 0.0000608100000000, -0.0001078600000000 ] - [ -0.0001559000000000, 0.0001236000000000, 0.0000842900000000 ] - [ -0.0001582600000000, 0.0001919900000000, 0.0000682400000000 ] - [ -0.0003703300000000, -0.0004500400000000, 0.0000316000000000 ] - [ 0.0003667100000000, -0.0001496800000000, -0.0027551700000000 ] - [ 0.0001985300000000, -0.0002253200000000, -0.0000084000000000 ] - [ 0.0000607500000000, -0.0002192400000000, 0.0001028900000000 ] - [ -0.0001595200000000, -0.0001801500000000, 0.0000683700000000 ] - [ -0.0001591700000000, -0.0001280800000000, 0.0000916400000000 ] - [ 0.0001279300000000, -0.0002162700000000, 0.0000515700000000 ] - [ 0.0003438100000000, -0.0001778600000000, -0.0001784300000000 ] - [ 0.0002838300000000, 0.0001882500000000, 0.0001921600000000 ] - [ 0.0001733700000000, 0.0001380300000000, 0.0000622200000000 ] - [ -0.0001874900000000, 0.0000828200000000, -0.0001593300000000 ] - [ -0.0001777300000000, -0.0015625800000000, -0.0033312000000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003426200000000, 0.0000295200000000, 0.0000669900000000 ] - [ -0.0004744500000000, -0.0001211800000000, -0.0000005900000000 ] - [ -0.0000078900000000, 0.0001610000000000, -0.0001950600000000 ] - [ 0.0000933400000000, -0.0000703600000000, -0.0001088300000000 ] - [ -0.0003243000000000, 0.0000984600000000, -0.0001613700000000 ] - [ 0.0004173800000000, 0.0000512400000000, 0.0000484400000000 ] - [ -0.0001392200000000, -0.0003095100000000, -0.0000485400000000 ] - [ 0.0036769900000000, -0.0022974800000000, 0.0010673400000000 ] - [ -0.0000301600000000, -0.0002502800000000, 0.0001240400000000 ] - [ 0.0000509600000000, 0.0000087700000000, -0.0001697400000000 ] - [ -0.0000052800000000, -0.0000562400000000, -0.0001170200000000 ] - [ 0.0000960900000000, 0.0000445600000000, -0.0001485800000000 ] - [ 0.0016914800000000, -0.0003524800000000, -0.0002727500000000 ] - [ 0.0001740700000000, -0.0000753200000000, 0.0001493200000000 ] - [ -0.0002532000000000, 0.0000088700000000, -0.0001505800000000 ] - [ -0.0003331600000000, -0.0000176500000000, -0.0001458300000000 ] - [ 0.0001631800000000, 0.0000032600000000, 0.0003701000000000 ] - [ 0.0001033700000000, -0.0000073900000000, 0.0003613600000000 ] - [ 0.0028076300000000, -0.0028346700000000, 0.0019565200000000 ] - [ -0.0002380600000000, -0.0000602800000000, -0.0003741000000000 ] - [ -0.0004087200000000, -0.0000609800000000, 0.0003795200000000 ] - [ -0.0003144500000000, 0.0000407300000000, 0.0003891300000000 ] - [ 0.0004005100000000, -0.0002164600000000, -0.0004157400000000 ] - [ 0.0006118100000000, 0.0010939100000000, -0.0016833500000000 ] - [ -0.0002613300000000, 0.0000336600000000, -0.0006291300000000 ] - [ -0.0005001700000000, -0.0001720500000000, -0.0005075800000000 ] - [ -0.0000041900000000, 0.0001128700000000, 0.0007082900000000 ] - [ 0.0000827300000000, -0.0000277600000000, 0.0006649900000000 ] - [ 0.0011412600000000, 0.0003359200000000, -0.0011679100000000 ] - [ 0.0004019200000000, -0.0000001900000000, -0.0006879700000000 ] - [ -0.0001817700000000, -0.0001237500000000, 0.0007073700000000 ] - [ -0.0002567300000000, 0.0001937700000000, 0.0008144400000000 ] - [ 0.0005890600000000, 0.0000651500000000, 0.0005061700000000 ] - [ 0.0001151300000000, -0.0014571000000000, 0.0000168800000000 ] - [ -0.0002756600000000, 0.0000677600000000, -0.0004026400000000 ] - [ -0.0003083900000000, -0.0000420700000000, -0.0003943500000000 ] - [ -0.0012511000000000, 0.0000462700000000, 0.0034626400000000 ] - [ -0.0002402700000000, 0.0000286500000000, 0.0005573300000000 ] - [ 0.0002615300000000, -0.0002227500000000, -0.0004362500000000 ] - [ 0.0002666200000000, 0.0004639600000000, -0.0004117800000000 ] - [ 0.0000669600000000, 0.0001654900000000, -0.0008569200000000 ] - [ -0.0002009100000000, -0.0006298500000000, -0.0008059900000000 ] - [ -0.0003635800000000, 0.0000182700000000, 0.0008932000000000 ] - [ -0.0003277400000000, 0.0000094400000000, 0.0008775400000000 ] - [ 0.0249801500000000, 0.0241447800000000, 0.0111935600000000 ] - [ 0.0001271900000000, -0.0004979800000000, -0.0004337500000000 ] - [ 0.0004364100000000, -0.0000653400000000, 0.0008068500000000 ] - [ 0.0003787900000000, 0.0001137500000000, 0.0007740500000000 ] - [ 0.0017000200000000, 0.0008180600000000, -0.0000144400000000 ] - [ 0.0003399800000000, 0.0002481300000000, -0.0004365800000000 ] - [ -0.0002978900000000, 0.0001828400000000, 0.0004138200000000 ] - [ -0.0002509500000000, 0.0002826300000000, 0.0004114500000000 ] - [ -0.0005850500000000, 0.0000672100000000, -0.0006259600000000 ] - [ -0.0007542300000000, -0.0000930100000000, 0.0001154500000000 ] - [ 0.0006783300000000, 0.0001929000000000, 0.0004539600000000 ] - [ 0.0004270000000000, -0.0004967900000000, 0.0003168300000000 ] - [ -0.0003103900000000, -0.0002162500000000, 0.0004148400000000 ] - [ -0.0001890800000000, -0.0002775800000000, 0.0004146900000000 ] - [ 0.0004164700000000, -0.0004541200000000, -0.0003835000000000 ] - [ 0.0004072000000000, 0.0000712100000000, -0.0006002700000000 ] - [ 0.0011084600000000, -0.0001657000000000, 0.0005392600000000 ] - [ 0.0003439900000000, 0.0002711500000000, 0.0004286200000000 ] - [ -0.0012574600000000, -0.0000967500000000, -0.0004222300000000 ] - [ -0.0008373300000000, 0.0000697900000000, -0.0004426900000000 ] - [ -0.0287931100000000, -0.0194898400000000, -0.0147931300000000 ] - [ 0.0003803100000000, 0.0008118600000000, 0.0000081800000000 ] - [ -0.0001021900000000, 0.0002363700000000, 0.0000640600000000 ] - [ -0.0001022800000000, 0.0000269800000000, 0.0001651100000000 ] - [ -0.0001845000000000, -0.0001992000000000, -0.0000462300000000 ] - [ 0.0004158300000000, 0.0004520200000000, -0.0002504500000000 ] - [ 0.0002996300000000, -0.0001992800000000, 0.0000501700000000 ] - [ 0.0002663900000000, -0.0001735800000000, 0.0000698900000000 ] - [ -0.0001681300000000, -0.0000948100000000, 0.0001202200000000 ] - [ -0.0000008000000000, -0.0002005100000000, 0.0001019200000000 ] - [ -0.0041804300000000, 0.0000005300000000, -0.0014019400000000 ] - [ -0.0015243600000000, 0.0005048700000000, -0.0008808100000000 ] - [ 0.0004212700000000, 0.0001563500000000, 0.0000882700000000 ] - [ 0.0002371900000000, 0.0001823900000000, 0.0000629900000000 ] - [ 0.0000022700000000, -0.0001858000000000, -0.0000516300000000 ] - [ 0.0000026000000000, 0.0003969500000000, -0.0000595700000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001561700000000, -0.0000293700000000, 0.0001271000000000 ] - [ -0.0000229900000000, 0.0001205400000000, 0.0001947200000000 ] - [ 0.0005075000000000, -0.0001613600000000, 0.0000005200000000 ] - [ 0.0004062700000000, 0.0000711400000000, -0.0000853700000000 ] - [ 0.0008252700000000, -0.0001004300000000, 0.0003564100000000 ] - [ 0.0000817600000000, -0.0000512300000000, 0.0001459600000000 ] - [ -0.0003619500000000, 0.0003122700000000, -0.0001463200000000 ] - [ -0.0042848000000000, 0.0023910900000000, -0.0013085100000000 ] - [ -0.0002930200000000, 0.0002505000000000, 0.0001811000000000 ] - [ -0.0003633500000000, -0.0000163500000000, 0.0004614100000000 ] - [ 0.0003305300000000, 0.0000564400000000, -0.0001883700000000 ] - [ 0.0002292900000000, -0.0000445700000000, -0.0001564600000000 ] - [ -0.0013146900000000, 0.0003013200000000, 0.0005373800000000 ] - [ 0.0001531600000000, 0.0000767400000000, 0.0001544500000000 ] - [ -0.0000713600000000, -0.0000086100000000, -0.0001543100000000 ] - [ 0.0000084100000000, 0.0000175000000000, -0.0001590000000000 ] - [ 0.0003193300000000, -0.0000031400000000, 0.0003939000000000 ] - [ 0.0003792500000000, 0.0000072100000000, 0.0004026400000000 ] - [ -0.0032430400000000, 0.0027601600000000, -0.0026488500000000 ] - [ -0.0002426100000000, 0.0000619300000000, -0.0003887200000000 ] - [ -0.0000733300000000, 0.0000611500000000, 0.0003849000000000 ] - [ -0.0001677100000000, -0.0000406700000000, 0.0003750700000000 ] - [ 0.0000841700000000, 0.0002167900000000, -0.0003505100000000 ] - [ -0.0001355000000000, -0.0010976800000000, 0.0009276700000000 ] - [ -0.0001380000000000, -0.0000333000000000, -0.0007142100000000 ] - [ 0.0001006600000000, 0.0001712400000000, -0.0008349200000000 ] - [ 0.0004039000000000, -0.0001127500000000, 0.0006354100000000 ] - [ 0.0003170400000000, 0.0000283600000000, 0.0006782100000000 ] - [ -0.0007685300000000, -0.0003647600000000, -0.0001532600000000 ] - [ -0.0000032800000000, 0.0000007400000000, -0.0006553800000000 ] - [ -0.0002178800000000, 0.0001238300000000, 0.0006357600000000 ] - [ -0.0001436400000000, -0.0001937500000000, 0.0005290300000000 ] - [ -0.0000397100000000, -0.0000638900000000, 0.0002692400000000 ] - [ 0.0004346700000000, 0.0014431900000000, 0.0007538900000000 ] - [ -0.0002788700000000, -0.0000673200000000, -0.0003757800000000 ] - [ -0.0002433200000000, 0.0000431700000000, -0.0003848200000000 ] - [ 0.0007156200000000, -0.0000405600000000, -0.0027065800000000 ] - [ -0.0003114800000000, -0.0000301900000000, 0.0002227600000000 ] - [ 0.0002897200000000, 0.0002238800000000, -0.0003380300000000 ] - [ 0.0002829800000000, -0.0004663100000000, -0.0003637100000000 ] - [ 0.0007159400000000, -0.0001639700000000, -0.0008273100000000 ] - [ 0.0009763200000000, 0.0006256000000000, -0.0008780600000000 ] - [ -0.0004195200000000, -0.0000180600000000, 0.0007940700000000 ] - [ -0.0004537000000000, -0.0000093800000000, 0.0008093000000000 ] - [ -0.0259003500000000, -0.0246630600000000, -0.0131434500000000 ] - [ -0.0009207400000000, 0.0004991200000000, -0.0012531600000000 ] - [ 0.0003472100000000, 0.0000655000000000, 0.0008777600000000 ] - [ 0.0004069100000000, -0.0001143200000000, 0.0009106300000000 ] - [ -0.0008698900000000, -0.0004554900000000, -0.0008488900000000 ] - [ 0.0004775700000000, 0.0001141200000000, -0.0004306100000000 ] - [ -0.0005179000000000, 0.0001833100000000, 0.0004524600000000 ] - [ -0.0005660000000000, 0.0000820600000000, 0.0004551500000000 ] - [ -0.0002308600000000, -0.0004315800000000, -0.0002402800000000 ] - [ -0.0000565400000000, -0.0002689000000000, -0.0009914400000000 ] - [ 0.0001387300000000, -0.0005592200000000, 0.0004122900000000 ] - [ 0.0003920400000000, 0.0001320800000000, 0.0005509500000000 ] - [ -0.0005062000000000, -0.0001488600000000, 0.0004517700000000 ] - [ -0.0006272800000000, -0.0000879800000000, 0.0004518800000000 ] - [ 0.0004014300000000, 0.0000904800000000, -0.0004829800000000 ] - [ 0.0004109300000000, -0.0004290900000000, -0.0002692600000000 ] - [ -0.0002936600000000, 0.0005349400000000, 0.0003271100000000 ] - [ 0.0004730700000000, 0.0000945900000000, 0.0004376000000000 ] - [ 0.0004413700000000, 0.0004604200000000, -0.0004407800000000 ] - [ 0.0000206100000000, 0.0002942800000000, -0.0004239600000000 ] - [ 0.0292701800000000, 0.0204100300000000, 0.0149221200000000 ] - [ -0.0000165200000000, -0.0004811800000000, -0.0001556000000000 ] - [ -0.0002564900000000, 0.0000899500000000, 0.0000867100000000 ] - [ -0.0002563600000000, 0.0002997600000000, -0.0000147700000000 ] - [ -0.0001762400000000, -0.0001297900000000, -0.0001034600000000 ] - [ -0.0007729200000000, -0.0007779700000000, 0.0001000400000000 ] - [ 0.0000606700000000, -0.0001283500000000, 0.0000998900000000 ] - [ 0.0000935400000000, -0.0001537300000000, 0.0000800200000000 ] - [ -0.0001905100000000, -0.0002318200000000, 0.0000304800000000 ] - [ -0.0003581200000000, -0.0001259900000000, 0.0000485100000000 ] - [ 0.0045516100000000, -0.0003168100000000, 0.0012636900000000 ] - [ 0.0018785700000000, -0.0008526800000000, 0.0007265500000000 ] - [ -0.0000610700000000, 0.0001710500000000, 0.0000619500000000 ] - [ 0.0001227300000000, 0.0001445500000000, 0.0000872100000000 ] - [ -0.0003614100000000, 0.0005130200000000, -0.0000982100000000 ] - [ -0.0003614500000000, -0.0000695900000000, -0.0000903600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001526700000000, -0.0000291800000000, 0.0001196500000000 ] - [ -0.0003610000000000, 0.0000064700000000, 0.0000442700000000 ] - [ 0.0002819500000000, 0.0002344700000000, -0.0000892700000000 ] - [ 0.0002181200000000, -0.0001721100000000, -0.0001259600000000 ] - [ -0.0003687800000000, 0.0003550300000000, 0.0000070600000000 ] - [ 0.0003425400000000, -0.0001217000000000, 0.0000959900000000 ] - [ -0.0007009400000000, -0.0004089000000000, -0.0002153200000000 ] - [ -0.0019566500000000, 0.0017404400000000, -0.0005585800000000 ] - [ 0.0001124300000000, -0.0006121100000000, 0.0003982000000000 ] - [ -0.0001675100000000, 0.0010712400000000, 0.0022114500000000 ] - [ 0.0001121300000000, 0.0001376500000000, -0.0001712100000000 ] - [ 0.0001613800000000, -0.0001024200000000, -0.0001671900000000 ] - [ -0.0009942400000000, 0.0019594500000000, 0.0008348400000000 ] - [ 0.0001072400000000, -0.0002664100000000, 0.0002064800000000 ] - [ -0.0002135100000000, -0.0000170900000000, -0.0001459500000000 ] - [ -0.0001567300000000, 0.0000129300000000, -0.0001480700000000 ] - [ 0.0001895000000000, -0.0000172300000000, 0.0003674900000000 ] - [ 0.0002548500000000, 0.0000102200000000, 0.0003792700000000 ] - [ -0.0032253900000000, 0.0041318400000000, -0.0033105800000000 ] - [ -0.0002906200000000, -0.0002315400000000, -0.0004341600000000 ] - [ -0.0002780800000000, 0.0001250700000000, 0.0004068200000000 ] - [ -0.0002450200000000, -0.0000963200000000, 0.0003969600000000 ] - [ 0.0004625400000000, -0.0004657700000000, -0.0006742100000000 ] - [ 0.0013438300000000, 0.0036062900000000, -0.0052269300000000 ] - [ -0.0000816900000000, -0.0000704000000000, -0.0006701700000000 ] - [ -0.0004455500000000, -0.0000394700000000, -0.0006083500000000 ] - [ 0.0001763400000000, 0.0001310200000000, 0.0006759700000000 ] - [ 0.0001520200000000, -0.0001227300000000, 0.0007008200000000 ] - [ 0.0005317700000000, 0.0015208600000000, -0.0013954100000000 ] - [ 0.0002865600000000, -0.0002152700000000, -0.0006915700000000 ] - [ -0.0004152900000000, -0.0002534400000000, 0.0006997700000000 ] - [ -0.0001295300000000, 0.0000524500000000, 0.0005385200000000 ] - [ 0.0003692600000000, -0.0002347200000000, 0.0003302100000000 ] - [ -0.0009422100000000, -0.0006558500000000, -0.0003276100000000 ] - [ -0.0002922000000000, 0.0001325300000000, -0.0003940200000000 ] - [ -0.0002581400000000, -0.0001103100000000, -0.0003860400000000 ] - [ 0.0001698700000000, 0.0029981500000000, 0.0018911300000000 ] - [ -0.0002323900000000, -0.0003076100000000, 0.0004131800000000 ] - [ 0.0003527100000000, -0.0002707500000000, -0.0004053000000000 ] - [ 0.0002907200000000, -0.0000153400000000, -0.0003721000000000 ] - [ 0.0002510800000000, -0.0002424100000000, -0.0008744700000000 ] - [ 0.0000820000000000, -0.0000552700000000, -0.0005707000000000 ] - [ -0.0003863600000000, 0.0001078700000000, 0.0008355800000000 ] - [ -0.0003755400000000, -0.0000879700000000, 0.0008557100000000 ] - [ 0.0250212800000000, 0.0373391100000000, 0.0158035400000000 ] - [ -0.0001444300000000, -0.0008508100000000, -0.0006036200000000 ] - [ 0.0003657900000000, -0.0000783300000000, 0.0007876100000000 ] - [ 0.0004378600000000, 0.0000325000000000, 0.0008585300000000 ] - [ 0.0006740600000000, -0.0001180900000000, -0.0004113400000000 ] - [ 0.0002542800000000, 0.0003747000000000, -0.0003305800000000 ] - [ -0.0004574300000000, 0.0000809900000000, 0.0004618100000000 ] - [ -0.0003298700000000, 0.0002863300000000, 0.0003934200000000 ] - [ -0.0005922400000000, 0.0002339700000000, -0.0007201700000000 ] - [ -0.0005435900000000, -0.0017271600000000, -0.0004196700000000 ] - [ 0.0007675900000000, 0.0000629100000000, 0.0004954400000000 ] - [ 0.0002224100000000, -0.0000562900000000, 0.0004880500000000 ] - [ -0.0004455100000000, -0.0000714000000000, 0.0004497000000000 ] - [ -0.0003199100000000, -0.0003094500000000, 0.0003977100000000 ] - [ 0.0000516800000000, 0.0000092500000000, -0.0004867400000000 ] - [ 0.0010610800000000, 0.0003852400000000, -0.0004460000000000 ] - [ 0.0000612100000000, -0.0000322300000000, 0.0004574500000000 ] - [ 0.0003829400000000, 0.0003832100000000, 0.0004076300000000 ] - [ -0.0005816200000000, 0.0004768800000000, 0.0013007800000000 ] - [ -0.0006014900000000, 0.0006721000000000, -0.0003514400000000 ] - [ -0.0193270300000000, -0.0619110700000000, -0.0135576900000000 ] - [ 0.0008216500000000, 0.0014683000000000, 0.0004370800000000 ] - [ -0.0000409900000000, 0.0001860200000000, 0.0000588000000000 ] - [ -0.0002507000000000, 0.0001855100000000, 0.0000522200000000 ] - [ -0.0002115100000000, 0.0001239900000000, -0.0000931800000000 ] - [ 0.0004360100000000, -0.0007102500000000, 0.0002244500000000 ] - [ 0.0002127000000000, -0.0002409500000000, 0.0000556700000000 ] - [ 0.0001873500000000, -0.0001045700000000, 0.0000947700000000 ] - [ -0.0001090200000000, -0.0000291600000000, 0.0001284000000000 ] - [ -0.0002149200000000, -0.0003003200000000, 0.0000218600000000 ] - [ 0.0000036700000000, 0.0082153200000000, 0.0002825100000000 ] - [ -0.0004989600000000, 0.0017223600000000, -0.0005909900000000 ] - [ 0.0001700600000000, 0.0000677300000000, 0.0001041600000000 ] - [ 0.0001963900000000, 0.0002590300000000, 0.0000569000000000 ] - [ -0.0004117000000000, 0.0004326500000000, -0.0000979700000000 ] - [ 0.0001741200000000, 0.0004303500000000, -0.0001553200000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003465400000000, 0.0000286900000000, 0.0000749800000000 ] - [ -0.0001379600000000, -0.0000049500000000, 0.0001505700000000 ] - [ 0.0002179900000000, -0.0002351700000000, -0.0001044000000000 ] - [ 0.0002811600000000, 0.0001718300000000, -0.0000687500000000 ] - [ 0.0008706800000000, -0.0003568000000000, 0.0001885300000000 ] - [ 0.0001581900000000, 0.0001216500000000, 0.0000983100000000 ] - [ 0.0002046900000000, 0.0004086000000000, 0.0000219700000000 ] - [ 0.0013960000000000, -0.0017045300000000, 0.0003436500000000 ] - [ -0.0004382900000000, 0.0006102200000000, -0.0000958000000000 ] - [ -0.0001519300000000, -0.0010367600000000, -0.0018461700000000 ] - [ 0.0002121500000000, -0.0001380800000000, -0.0001331700000000 ] - [ 0.0001629100000000, 0.0001024500000000, -0.0001374500000000 ] - [ 0.0013567600000000, -0.0019819800000000, -0.0005592300000000 ] - [ 0.0002159100000000, 0.0002663100000000, 0.0000983100000000 ] - [ -0.0001100600000000, 0.0000167800000000, -0.0001586900000000 ] - [ -0.0001669000000000, -0.0000125700000000, -0.0001566400000000 ] - [ 0.0002938500000000, 0.0000169900000000, 0.0003960500000000 ] - [ 0.0002284300000000, -0.0000099300000000, 0.0003843300000000 ] - [ 0.0028140800000000, -0.0041670000000000, 0.0026159200000000 ] - [ -0.0001928100000000, 0.0002313800000000, -0.0003296200000000 ] - [ -0.0002047200000000, -0.0001254300000000, 0.0003564700000000 ] - [ -0.0002378400000000, 0.0000963800000000, 0.0003665900000000 ] - [ 0.0000198900000000, 0.0004634800000000, -0.0000868400000000 ] - [ -0.0008317300000000, -0.0035425700000000, 0.0043446200000000 ] - [ -0.0003181300000000, 0.0000696200000000, -0.0006750100000000 ] - [ 0.0000453900000000, 0.0000408300000000, -0.0007367700000000 ] - [ 0.0002242100000000, -0.0001317900000000, 0.0006683000000000 ] - [ 0.0002474300000000, 0.0001221100000000, 0.0006442500000000 ] - [ -0.0001533300000000, -0.0015364500000000, 0.0000648500000000 ] - [ 0.0001138400000000, 0.0002154500000000, -0.0006531600000000 ] - [ 0.0000163500000000, 0.0002532600000000, 0.0006447700000000 ] - [ -0.0002698300000000, -0.0000513000000000, 0.0008061300000000 ] - [ 0.0001831100000000, 0.0002310600000000, 0.0004512900000000 ] - [ 0.0014820900000000, 0.0006622300000000, 0.0011006600000000 ] - [ -0.0002619400000000, -0.0001320500000000, -0.0003862800000000 ] - [ -0.0002930200000000, 0.0001110700000000, -0.0003914500000000 ] - [ -0.0007331100000000, -0.0030238700000000, -0.0011291000000000 ] - [ -0.0003184000000000, 0.0003070600000000, 0.0003654800000000 ] - [ 0.0001975700000000, 0.0002710400000000, -0.0003733600000000 ] - [ 0.0002630400000000, 0.0000181500000000, -0.0004082100000000 ] - [ 0.0005302000000000, 0.0002399300000000, -0.0008032400000000 ] - [ 0.0006960700000000, 0.0000627300000000, -0.0011019300000000 ] - [ -0.0003925600000000, -0.0001084500000000, 0.0008403800000000 ] - [ -0.0004031200000000, 0.0000878200000000, 0.0008200500000000 ] - [ -0.0267189000000000, -0.0384684800000000, -0.0182006700000000 ] - [ -0.0006348000000000, 0.0008578500000000, -0.0010719500000000 ] - [ 0.0004143100000000, 0.0000780900000000, 0.0008892800000000 ] - [ 0.0003419400000000, -0.0000321100000000, 0.0008184600000000 ] - [ 0.0001319300000000, 0.0004757200000000, -0.0004564300000000 ] - [ 0.0005638000000000, -0.0000078700000000, -0.0005346900000000 ] - [ -0.0003608900000000, 0.0002837900000000, 0.0004037400000000 ] - [ -0.0004881200000000, 0.0000778800000000, 0.0004720100000000 ] - [ -0.0002264700000000, -0.0005994900000000, -0.0001479200000000 ] - [ -0.0002695700000000, 0.0013622900000000, -0.0004434200000000 ] - [ 0.0000500800000000, -0.0004273500000000, 0.0003704600000000 ] - [ 0.0005943800000000, -0.0003094700000000, 0.0003774000000000 ] - [ -0.0003728200000000, -0.0002931000000000, 0.0004158500000000 ] - [ -0.0004990300000000, -0.0000548700000000, 0.0004678700000000 ] - [ 0.0007650200000000, -0.0003712000000000, -0.0003794100000000 ] - [ -0.0002325900000000, -0.0007421700000000, -0.0004209200000000 ] - [ 0.0007587500000000, 0.0003942200000000, 0.0004087400000000 ] - [ 0.0004346300000000, -0.0000181800000000, 0.0004577100000000 ] - [ -0.0002373500000000, -0.0001160800000000, -0.0021829300000000 ] - [ -0.0002176300000000, -0.0003070500000000, -0.0005144700000000 ] - [ 0.0205854700000000, 0.0634788900000000, 0.0142119400000000 ] - [ -0.0004691100000000, -0.0011403700000000, -0.0005920600000000 ] - [ -0.0003159200000000, 0.0001415000000000, 0.0000916800000000 ] - [ -0.0001061100000000, 0.0001410200000000, 0.0000988100000000 ] - [ -0.0001443000000000, -0.0004506200000000, -0.0000576700000000 ] - [ -0.0007957400000000, 0.0003720800000000, -0.0003723300000000 ] - [ 0.0001439600000000, -0.0000863900000000, 0.0000947100000000 ] - [ 0.0001696500000000, -0.0002234400000000, 0.0000556200000000 ] - [ -0.0002479100000000, -0.0002980500000000, 0.0000222600000000 ] - [ -0.0001419500000000, -0.0000272100000000, 0.0001286600000000 ] - [ 0.0003222000000000, -0.0086892400000000, -0.0004554700000000 ] - [ 0.0008604800000000, -0.0020504900000000, 0.0004464200000000 ] - [ 0.0001863200000000, 0.0002601200000000, 0.0000457900000000 ] - [ 0.0001607000000000, 0.0000687700000000, 0.0000934000000000 ] - [ 0.0000529300000000, -0.0001019100000000, -0.0000553400000000 ] - [ -0.0005271100000000, -0.0001045000000000, 0.0000036800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002524600000000, 0.0000014000000000, 0.0000864700000000 ] - [ -0.0002500200000000, -0.0000148500000000, 0.0000621100000000 ] - [ 0.0001830200000000, 0.0000074300000000, -0.0001503100000000 ] - [ 0.0002493100000000, -0.0000031700000000, -0.0001119700000000 ] - [ -0.0001649900000000, 0.0002110300000000, 0.0002249200000000 ] - [ 0.0002796800000000, -0.0000292600000000, 0.0001284700000000 ] - [ -0.0001732000000000, -0.0000791200000000, -0.0000062000000000 ] - [ 0.0010374400000000, -0.0009278200000000, 0.0009796000000000 ] - [ 0.0001555000000000, -0.0002251800000000, 0.0000068200000000 ] - [ -0.0005097800000000, 0.0018665200000000, 0.0025824100000000 ] - [ 0.0001274100000000, 0.0000578300000000, -0.0001945500000000 ] - [ 0.0001550200000000, -0.0000346100000000, -0.0001615000000000 ] - [ -0.0008239700000000, 0.0007635100000000, 0.0011815800000000 ] - [ 0.0001211100000000, -0.0000162300000000, 0.0002113500000000 ] - [ -0.0001932200000000, -0.0000046800000000, -0.0001412300000000 ] - [ -0.0001554300000000, 0.0000039400000000, -0.0001370300000000 ] - [ 0.0002109700000000, -0.0000044500000000, 0.0003691900000000 ] - [ 0.0002464900000000, 0.0000001500000000, 0.0003717200000000 ] - [ 0.0022063500000000, -0.0028521700000000, 0.0021191600000000 ] - [ -0.0002908900000000, -0.0000076000000000, -0.0004323500000000 ] - [ -0.0002538300000000, 0.0000628000000000, 0.0004141200000000 ] - [ -0.0002456700000000, -0.0000357400000000, 0.0003909000000000 ] - [ 0.0003795200000000, -0.0001658700000000, -0.0002433900000000 ] - [ -0.0010143600000000, -0.0046815400000000, 0.0058576700000000 ] - [ -0.0001978200000000, -0.0000025800000000, -0.0006573200000000 ] - [ -0.0001572000000000, -0.0000003300000000, -0.0006503300000000 ] - [ 0.0001790800000000, 0.0000267000000000, 0.0006841300000000 ] - [ 0.0001853500000000, -0.0000173800000000, 0.0006840600000000 ] - [ 0.0003443100000000, 0.0005565900000000, -0.0005764300000000 ] - [ 0.0002510800000000, -0.0000605300000000, -0.0007449900000000 ] - [ -0.0004824400000000, -0.0002280400000000, 0.0006300200000000 ] - [ -0.0001640800000000, 0.0000357600000000, 0.0005185000000000 ] - [ 0.0002679800000000, 0.0000361900000000, 0.0003726400000000 ] - [ -0.0004159800000000, -0.0005376300000000, 0.0003336100000000 ] - [ -0.0002798100000000, 0.0000255300000000, -0.0004015200000000 ] - [ -0.0002795700000000, -0.0000118100000000, -0.0003985400000000 ] - [ 0.0033279300000000, 0.0030060900000000, -0.0018481400000000 ] - [ -0.0000906000000000, -0.0001165300000000, 0.0005749100000000 ] - [ 0.0002951600000000, -0.0000770000000000, -0.0004001500000000 ] - [ 0.0001609900000000, -0.0001904400000000, -0.0003862800000000 ] - [ 0.0003727900000000, -0.0000068300000000, -0.0007696700000000 ] - [ 0.0004033400000000, 0.0001570600000000, -0.0003180000000000 ] - [ -0.0003843400000000, 0.0000380400000000, 0.0008375700000000 ] - [ -0.0003884600000000, -0.0000245300000000, 0.0008410100000000 ] - [ 0.0110916000000000, 0.0147275900000000, 0.0143850900000000 ] - [ -0.0000236100000000, -0.0003634100000000, -0.0005403400000000 ] - [ 0.0003809300000000, -0.0000509300000000, 0.0008383400000000 ] - [ 0.0004076000000000, 0.0000176100000000, 0.0008956600000000 ] - [ 0.0006100700000000, 0.0002595400000000, -0.0006095800000000 ] - [ 0.0003723800000000, 0.0002229000000000, -0.0004005600000000 ] - [ -0.0004020300000000, 0.0001722100000000, 0.0004404100000000 ] - [ -0.0004001300000000, 0.0002066300000000, 0.0004241600000000 ] - [ -0.0006646800000000, 0.0001662600000000, -0.0005405500000000 ] - [ 0.0000740000000000, -0.0002403600000000, 0.0022462300000000 ] - [ 0.0004722700000000, -0.0001905500000000, 0.0005168500000000 ] - [ 0.0004302100000000, -0.0001394500000000, 0.0004049600000000 ] - [ -0.0004014900000000, -0.0001694700000000, 0.0004402400000000 ] - [ -0.0003838200000000, -0.0002195200000000, 0.0004172400000000 ] - [ 0.0004534300000000, -0.0002205500000000, -0.0005599200000000 ] - [ 0.0006368100000000, -0.0000034700000000, -0.0003293700000000 ] - [ 0.0001140300000000, 0.0003579400000000, 0.0003164000000000 ] - [ 0.0003902200000000, 0.0002652100000000, 0.0004462800000000 ] - [ -0.0000689400000000, 0.0019681200000000, 0.0028265900000000 ] - [ -0.0004714600000000, 0.0002176300000000, -0.0003487300000000 ] - [ -0.0146412700000000, -0.0136501000000000, -0.0304524600000000 ] - [ 0.0002624100000000, 0.0006834100000000, 0.0001920100000000 ] - [ -0.0000887800000000, 0.0001874000000000, 0.0000394400000000 ] - [ -0.0001897100000000, 0.0001798000000000, 0.0000397100000000 ] - [ -0.0002075000000000, -0.0001453600000000, -0.0000866100000000 ] - [ -0.0000055800000000, -0.0004600000000000, 0.0003616800000000 ] - [ 0.0002037900000000, -0.0001833900000000, 0.0000785600000000 ] - [ 0.0001843300000000, -0.0001437900000000, 0.0000840000000000 ] - [ -0.0001338400000000, -0.0001106700000000, 0.0000751400000000 ] - [ -0.0001515700000000, -0.0002169200000000, 0.0000382200000000 ] - [ -0.0011528700000000, -0.0005187700000000, -0.0022442600000000 ] - [ -0.0006287400000000, 0.0003511100000000, -0.0015341000000000 ] - [ 0.0001657800000000, 0.0001344100000000, 0.0000945700000000 ] - [ 0.0001910400000000, 0.0001821800000000, 0.0000776500000000 ] - [ -0.0001940400000000, 0.0000842900000000, 0.0001167500000000 ] - [ -0.0002025400000000, 0.0001418100000000, 0.0001173100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002467900000000, -0.0000016000000000, 0.0001090800000000 ] - [ -0.0002507100000000, 0.0000158500000000, 0.0001327500000000 ] - [ 0.0003162800000000, -0.0000071200000000, -0.0000447400000000 ] - [ 0.0002502700000000, 0.0000021300000000, -0.0000838100000000 ] - [ 0.0006604300000000, -0.0002101800000000, -0.0000325900000000 ] - [ 0.0002200500000000, 0.0000294200000000, 0.0000664000000000 ] - [ -0.0003300700000000, 0.0000763200000000, -0.0001897600000000 ] - [ -0.0015410100000000, 0.0009296500000000, -0.0011639400000000 ] - [ -0.0004795600000000, 0.0002224100000000, 0.0003016400000000 ] - [ 0.0001909000000000, -0.0017917700000000, -0.0022114500000000 ] - [ 0.0001972700000000, -0.0000577200000000, -0.0001105300000000 ] - [ 0.0001691500000000, 0.0000345800000000, -0.0001440500000000 ] - [ 0.0011757200000000, -0.0007823700000000, -0.0008866500000000 ] - [ 0.0002045900000000, 0.0000152800000000, 0.0000942600000000 ] - [ -0.0001316400000000, 0.0000045000000000, -0.0001641700000000 ] - [ -0.0001696600000000, -0.0000036700000000, -0.0001684200000000 ] - [ 0.0002716300000000, 0.0000042900000000, 0.0003951100000000 ] - [ 0.0002357600000000, 0.0000000900000000, 0.0003926000000000 ] - [ -0.0026238600000000, 0.0027918600000000, -0.0028507000000000 ] - [ -0.0001905000000000, 0.0000067600000000, -0.0003309900000000 ] - [ -0.0002293000000000, -0.0000627500000000, 0.0003500800000000 ] - [ -0.0002373300000000, 0.0000357000000000, 0.0003734900000000 ] - [ 0.0001048200000000, 0.0001641000000000, -0.0005242400000000 ] - [ 0.0015424200000000, 0.0048252400000000, -0.0067477800000000 ] - [ -0.0002025100000000, 0.0000022900000000, -0.0006857500000000 ] - [ -0.0002427100000000, 0.0000014400000000, -0.0006930800000000 ] - [ 0.0002208200000000, -0.0000262900000000, 0.0006594000000000 ] - [ 0.0002143500000000, 0.0000161900000000, 0.0006600000000000 ] - [ 0.0000321400000000, -0.0005733700000000, -0.0007475700000000 ] - [ 0.0001489600000000, 0.0000603000000000, -0.0005975500000000 ] - [ 0.0000833100000000, 0.0002281200000000, 0.0007136000000000 ] - [ -0.0002347400000000, -0.0000364500000000, 0.0008242900000000 ] - [ 0.0002804800000000, -0.0000369200000000, 0.0003939500000000 ] - [ 0.0009586100000000, 0.0005401300000000, 0.0004436000000000 ] - [ -0.0002693600000000, -0.0000242900000000, -0.0003725300000000 ] - [ -0.0002718100000000, 0.0000118200000000, -0.0003724200000000 ] - [ -0.0039074100000000, -0.0030269500000000, 0.0026301200000000 ] - [ -0.0004579200000000, 0.0001166400000000, 0.0001964900000000 ] - [ 0.0002485600000000, 0.0000770100000000, -0.0003671300000000 ] - [ 0.0003895800000000, 0.0001914500000000, -0.0003858500000000 ] - [ 0.0004135700000000, 0.0000068000000000, -0.0009133200000000 ] - [ 0.0003922400000000, -0.0001583400000000, -0.0013671200000000 ] - [ -0.0003972500000000, -0.0000378800000000, 0.0008417200000000 ] - [ -0.0004020300000000, 0.0000239100000000, 0.0008397000000000 ] - [ -0.0120168900000000, -0.0149725900000000, -0.0160570700000000 ] - [ -0.0007597400000000, 0.0003585200000000, -0.0011424700000000 ] - [ 0.0004079800000000, 0.0000505000000000, 0.0008417500000000 ] - [ 0.0003777000000000, -0.0000173500000000, 0.0007840900000000 ] - [ 0.0002034500000000, 0.0001001100000000, -0.0002598900000000 ] - [ 0.0004430400000000, 0.0001434900000000, -0.0004644400000000 ] - [ -0.0004147200000000, 0.0001934700000000, 0.0004251200000000 ] - [ -0.0004144700000000, 0.0001612300000000, 0.0004407200000000 ] - [ -0.0001512900000000, -0.0005306100000000, -0.0003275000000000 ] - [ -0.0009020500000000, -0.0001302200000000, -0.0031341500000000 ] - [ 0.0003461300000000, -0.0001749500000000, 0.0003478700000000 ] - [ 0.0003859600000000, -0.0002283400000000, 0.0004596700000000 ] - [ -0.0004143100000000, -0.0001971100000000, 0.0004249800000000 ] - [ -0.0004323400000000, -0.0001471800000000, 0.0004482000000000 ] - [ 0.0003609800000000, -0.0001451600000000, -0.0003056100000000 ] - [ 0.0001891800000000, -0.0003521200000000, -0.0005373100000000 ] - [ 0.0007029300000000, 0.0000092200000000, 0.0005479800000000 ] - [ 0.0004265600000000, 0.0001016000000000, 0.0004187000000000 ] - [ -0.0007570000000000, -0.0016205800000000, -0.0037069600000000 ] - [ -0.0003445800000000, 0.0001473500000000, -0.0005157600000000 ] - [ 0.0150754200000000, 0.0141107600000000, 0.0303519500000000 ] - [ 0.0000988500000000, -0.0003495700000000, -0.0003366800000000 ] - [ -0.0002691900000000, 0.0001369700000000, 0.0001119100000000 ] - [ -0.0001681800000000, 0.0001442600000000, 0.0001115300000000 ] - [ -0.0001522700000000, -0.0001795000000000, -0.0000631300000000 ] - [ -0.0003568100000000, 0.0001400400000000, -0.0005111500000000 ] - [ 0.0001539500000000, -0.0001405300000000, 0.0000727400000000 ] - [ 0.0001755300000000, -0.0001815600000000, 0.0000667200000000 ] - [ -0.0002241700000000, -0.0002131800000000, 0.0000762200000000 ] - [ -0.0002061500000000, -0.0001074000000000, 0.0001131100000000 ] - [ 0.0015130800000000, 0.0002214500000000, 0.0020847100000000 ] - [ 0.0009795500000000, -0.0006836600000000, 0.0013758400000000 ] - [ 0.0001920500000000, 0.0001890000000000, 0.0000567500000000 ] - [ 0.0001685500000000, 0.0001440800000000, 0.0000726600000000 ] - [ -0.0001652700000000, 0.0002418600000000, -0.0002664200000000 ] - [ -0.0001572000000000, 0.0001810600000000, -0.0002668700000000 ]