# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c5b9b05e-813f-4463-8c3c-224370cfaf61/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 MgIn2O4 / Cm (8) / materials id 685982](https://mdr.nims.go.jp/datasets/2d706c98-5b8d-4f2c-bc2d-8686e67288ab) ## 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: "Cm" number: 8 Hall_symbol: "C -2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.416398820000000, -3.182163420000000, 0.009852790000000 ] # a - [ 5.416398820000000, 3.182163420000000, 0.009852790000000 ] # b - [ 3.694661510000000, 0.000000000000000, 25.595616400000001 ] # c points: - symbol: Mg # 1 coordinates: [ 0.003984200000000, 0.003984200000000, 0.000425530000000 ] mass: 24.305000 - symbol: Mg # 2 coordinates: [ 0.876629340000000, 0.876629340000000, 0.873604320000000 ] mass: 24.305000 - symbol: Mg # 3 coordinates: [ 0.274279330000000, 0.274279330000000, 0.674298710000000 ] mass: 24.305000 - symbol: Mg # 4 coordinates: [ 0.074072070000000, 0.074072070000000, 0.773673720000000 ] mass: 24.305000 - symbol: Mg # 5 coordinates: [ 0.675023030000000, 0.675023030000000, 0.474857880000000 ] mass: 24.305000 - symbol: Mg # 6 coordinates: [ 0.474598900000000, 0.474598900000000, 0.574601760000000 ] mass: 24.305000 - symbol: Mg # 7 coordinates: [ 0.075697210000000, 0.075697210000000, 0.275339110000000 ] mass: 24.305000 - symbol: Mg # 8 coordinates: [ 0.875380780000000, 0.875380780000000, 0.375148170000000 ] mass: 24.305000 - symbol: Mg # 9 coordinates: [ 0.476470940000000, 0.476470940000000, 0.076509830000000 ] mass: 24.305000 - symbol: Mg # 10 coordinates: [ 0.275995260000000, 0.275995260000000, 0.175948160000000 ] mass: 24.305000 - symbol: In # 11 coordinates: [ 0.342673430000000, 0.342673430000000, 0.950949820000000 ] mass: 114.818000 - symbol: In # 12 coordinates: [ 0.673789500000000, 0.673789500000000, 0.977041710000000 ] mass: 114.818000 - symbol: In # 13 coordinates: [ 0.875989260000000, 0.367215220000000, 0.874025550000000 ] mass: 114.818000 - symbol: In # 14 coordinates: [ 0.744603400000000, 0.744603400000000, 0.748669590000000 ] mass: 114.818000 - symbol: In # 15 coordinates: [ 0.367215220000000, 0.875989260000000, 0.874025550000000 ] mass: 114.818000 - symbol: In # 16 coordinates: [ 0.274192240000000, 0.774277220000000, 0.674303010000000 ] mass: 114.818000 - symbol: In # 17 coordinates: [ 0.204467310000000, 0.204467310000000, 0.401233070000000 ] mass: 114.818000 - symbol: In # 18 coordinates: [ 0.145741300000000, 0.145741300000000, 0.548278910000000 ] mass: 114.818000 - symbol: In # 19 coordinates: [ 0.774277220000000, 0.274192240000000, 0.674303010000000 ] mass: 114.818000 - symbol: In # 20 coordinates: [ 0.546527970000000, 0.546527970000000, 0.348776710000000 ] mass: 114.818000 - symbol: In # 21 coordinates: [ 0.402929130000000, 0.402929130000000, 0.800031690000000 ] mass: 114.818000 - symbol: In # 22 coordinates: [ 0.674998520000000, 0.175139920000000, 0.474839570000000 ] mass: 114.818000 - symbol: In # 23 coordinates: [ 0.175139920000000, 0.674998520000000, 0.474839570000000 ] mass: 114.818000 - symbol: In # 24 coordinates: [ 0.803584750000000, 0.803584750000000, 0.600832050000000 ] mass: 114.818000 - symbol: In # 25 coordinates: [ 0.075636750000000, 0.576332930000000, 0.275301710000000 ] mass: 114.818000 - symbol: In # 26 coordinates: [ 0.947578700000000, 0.947578700000000, 0.148648460000000 ] mass: 114.818000 - symbol: In # 27 coordinates: [ 0.576332930000000, 0.075636750000000, 0.275301710000000 ] mass: 114.818000 - symbol: In # 28 coordinates: [ 0.476135470000000, 0.976697910000000, 0.076192630000000 ] mass: 114.818000 - symbol: In # 29 coordinates: [ 0.976697910000000, 0.476135470000000, 0.076192630000000 ] mass: 114.818000 - symbol: In # 30 coordinates: [ 0.605142420000000, 0.605142420000000, 0.202040420000000 ] mass: 114.818000 - symbol: O # 31 coordinates: [ 0.000099410000000, 0.543636210000000, 0.921500130000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.723466990000000, 0.723466990000000, 0.830429340000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.543636210000000, 0.000099410000000, 0.921500130000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.533627430000000, 0.533627430000000, 0.922867140000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.211322340000000, 0.211322340000000, 0.823943210000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.395473100000000, 0.943859520000000, 0.723009740000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.023814260000000, 0.023814260000000, 0.920671660000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.202366890000000, 0.752490250000000, 0.825075800000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.126079210000000, 0.126079210000000, 0.629726840000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.943859520000000, 0.395473100000000, 0.723009740000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.936304680000000, 0.936304680000000, 0.724034500000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.752490250000000, 0.202366890000000, 0.825075800000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.611735790000000, 0.611735790000000, 0.624940470000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.795591920000000, 0.345235300000000, 0.523469170000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.422366580000000, 0.422366580000000, 0.718980290000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.603905930000000, 0.153315630000000, 0.626018360000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.526872630000000, 0.526872630000000, 0.430159570000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.345235300000000, 0.795591920000000, 0.523469170000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.337537850000000, 0.337537850000000, 0.524509150000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.153315630000000, 0.603905930000000, 0.626018360000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.012612840000000, 0.012612840000000, 0.425485180000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.196288150000000, 0.746149870000000, 0.323963310000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.823210640000000, 0.823210640000000, 0.519668850000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.004740980000000, 0.554022460000000, 0.426575260000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.927613520000000, 0.927613520000000, 0.230320660000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.746149870000000, 0.196288150000000, 0.323963310000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.738370830000000, 0.738370830000000, 0.325019630000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.554022460000000, 0.004740980000000, 0.426575260000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.413373780000000, 0.413373780000000, 0.226086090000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.595820310000000, 0.147313790000000, 0.124721870000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.224129950000000, 0.224129950000000, 0.320114990000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.405402420000000, 0.954648120000000, 0.227212370000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.329614030000000, 0.329614030000000, 0.030968440000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.147313790000000, 0.595820310000000, 0.124721870000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.139697140000000, 0.139697140000000, 0.125876320000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.954648120000000, 0.405402420000000, 0.227212370000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.819373750000000, 0.819373750000000, 0.026900240000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.624420860000000, 0.624420860000000, 0.120821430000000 ] mass: 15.999400 - symbol: O # 69 coordinates: [ 0.815708450000000, 0.342602710000000, 0.027574660000000 ] mass: 15.999400 - symbol: O # 70 coordinates: [ 0.342602710000000, 0.815708450000000, 0.027574660000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.092336502517125, -0.157125808453923, -0.013328537062231 ] # a* - [ 0.092336502517125, 0.157125808453923, -0.013328537062231 ] # b* - [ -0.000071088123405, 0.000000000000000, 0.039079451376423 ] # c*unit_cell: lattice: - [ 10.832797640000001, 0.000000000000000, 0.019705580000000 ] # a - [ 0.000000000000000, 6.364326840000000, 0.000000000000000 ] # b - [ 3.694661510000000, 0.000000000000000, 25.595616400000001 ] # c points: - symbol: Mg # 1 coordinates: [ 0.003984200000000, 0.000000000000000, 0.000425530000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 2 coordinates: [ 0.376629340000000, 0.500000000000000, 0.873604320000000 ] mass: 24.305000 reduced_to: 2 - symbol: Mg # 3 coordinates: [ 0.274279330000000, 0.000000000000000, 0.674298710000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 4 coordinates: [ 0.074072070000000, 0.000000000000000, 0.773673720000000 ] mass: 24.305000 reduced_to: 4 - symbol: Mg # 5 coordinates: [ 0.175023030000000, 0.500000000000000, 0.474857880000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 6 coordinates: [ 0.974598900000000, 0.500000000000000, 0.574601760000000 ] mass: 24.305000 reduced_to: 6 - symbol: Mg # 7 coordinates: [ 0.075697210000000, 0.000000000000000, 0.275339110000000 ] mass: 24.305000 reduced_to: 7 - symbol: Mg # 8 coordinates: [ 0.375380780000000, 0.500000000000000, 0.375148170000000 ] mass: 24.305000 reduced_to: 8 - symbol: Mg # 9 coordinates: [ 0.476470940000000, 0.000000000000000, 0.076509830000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 10 coordinates: [ 0.275995260000000, 0.000000000000000, 0.175948160000000 ] mass: 24.305000 reduced_to: 10 - symbol: Mg # 11 coordinates: [ 0.503984200000000, 0.500000000000000, 0.000425530000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 12 coordinates: [ 0.876629340000000, 0.000000000000000, 0.873604320000000 ] mass: 24.305000 reduced_to: 2 - symbol: Mg # 13 coordinates: [ 0.774279330000000, 0.500000000000000, 0.674298710000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 14 coordinates: [ 0.574072070000000, 0.500000000000000, 0.773673720000000 ] mass: 24.305000 reduced_to: 4 - symbol: Mg # 15 coordinates: [ 0.675023030000000, 0.000000000000000, 0.474857880000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 16 coordinates: [ 0.474598900000000, 0.000000000000000, 0.574601760000000 ] mass: 24.305000 reduced_to: 6 - symbol: Mg # 17 coordinates: [ 0.575697210000000, 0.500000000000000, 0.275339110000000 ] mass: 24.305000 reduced_to: 7 - symbol: Mg # 18 coordinates: [ 0.875380780000000, 0.000000000000000, 0.375148170000000 ] mass: 24.305000 reduced_to: 8 - symbol: Mg # 19 coordinates: [ 0.976470940000000, 0.500000000000000, 0.076509830000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 20 coordinates: [ 0.775995260000000, 0.500000000000000, 0.175948160000000 ] mass: 24.305000 reduced_to: 10 - symbol: In # 21 coordinates: [ 0.842673430000000, 0.500000000000000, 0.950949820000000 ] mass: 114.818000 reduced_to: 21 - symbol: In # 22 coordinates: [ 0.173789500000000, 0.500000000000000, 0.977041710000000 ] mass: 114.818000 reduced_to: 22 - symbol: In # 23 coordinates: [ 0.121602240000000, 0.245612980000000, 0.874025550000000 ] mass: 114.818000 reduced_to: 23 - symbol: In # 24 coordinates: [ 0.244603400000000, 0.500000000000000, 0.748669590000000 ] mass: 114.818000 reduced_to: 24 - symbol: In # 25 coordinates: [ 0.121602240000000, 0.754387020000000, 0.874025550000000 ] mass: 114.818000 reduced_to: 25 - symbol: In # 26 coordinates: [ 0.524234730000000, 0.250042490000000, 0.674303010000000 ] mass: 114.818000 reduced_to: 26 - symbol: In # 27 coordinates: [ 0.204467310000000, 0.000000000000000, 0.401233070000000 ] mass: 114.818000 reduced_to: 27 - symbol: In # 28 coordinates: [ 0.145741300000000, 0.000000000000000, 0.548278910000000 ] mass: 114.818000 reduced_to: 28 - symbol: In # 29 coordinates: [ 0.024234730000000, 0.249957510000000, 0.674303010000000 ] mass: 114.818000 reduced_to: 29 - symbol: In # 30 coordinates: [ 0.546527970000000, 0.000000000000000, 0.348776710000000 ] mass: 114.818000 reduced_to: 30 - symbol: In # 31 coordinates: [ 0.902929130000000, 0.500000000000000, 0.800031690000000 ] mass: 114.818000 reduced_to: 31 - symbol: In # 32 coordinates: [ 0.925069220000000, 0.250070700000000, 0.474839570000000 ] mass: 114.818000 reduced_to: 32 - symbol: In # 33 coordinates: [ 0.425069220000000, 0.249929300000000, 0.474839570000000 ] mass: 114.818000 reduced_to: 33 - symbol: In # 34 coordinates: [ 0.303584750000000, 0.500000000000000, 0.600832050000000 ] mass: 114.818000 reduced_to: 34 - symbol: In # 35 coordinates: [ 0.325984840000000, 0.250348090000000, 0.275301710000000 ] mass: 114.818000 reduced_to: 35 - symbol: In # 36 coordinates: [ 0.447578700000000, 0.500000000000000, 0.148648460000000 ] mass: 114.818000 reduced_to: 36 - symbol: In # 37 coordinates: [ 0.325984840000000, 0.749651910000000, 0.275301710000000 ] mass: 114.818000 reduced_to: 37 - symbol: In # 38 coordinates: [ 0.726416690000000, 0.250281220000000, 0.076192630000000 ] mass: 114.818000 reduced_to: 38 - symbol: In # 39 coordinates: [ 0.226416690000000, 0.249718780000000, 0.076192630000000 ] mass: 114.818000 reduced_to: 39 - symbol: In # 40 coordinates: [ 0.605142420000000, 0.000000000000000, 0.202040420000000 ] mass: 114.818000 reduced_to: 40 - symbol: In # 41 coordinates: [ 0.342673430000000, 0.000000000000000, 0.950949820000000 ] mass: 114.818000 reduced_to: 21 - symbol: In # 42 coordinates: [ 0.673789500000000, 0.000000000000000, 0.977041710000000 ] mass: 114.818000 reduced_to: 22 - symbol: In # 43 coordinates: [ 0.621602240000000, 0.745612980000000, 0.874025550000000 ] mass: 114.818000 reduced_to: 23 - symbol: In # 44 coordinates: [ 0.744603400000000, 0.000000000000000, 0.748669590000000 ] mass: 114.818000 reduced_to: 24 - symbol: In # 45 coordinates: [ 0.621602240000000, 0.254387020000000, 0.874025550000000 ] mass: 114.818000 reduced_to: 25 - symbol: In # 46 coordinates: [ 0.024234730000000, 0.750042490000000, 0.674303010000000 ] mass: 114.818000 reduced_to: 26 - symbol: In # 47 coordinates: [ 0.704467310000000, 0.500000000000000, 0.401233070000000 ] mass: 114.818000 reduced_to: 27 - symbol: In # 48 coordinates: [ 0.645741300000000, 0.500000000000000, 0.548278910000000 ] mass: 114.818000 reduced_to: 28 - symbol: In # 49 coordinates: [ 0.524234730000000, 0.749957510000000, 0.674303010000000 ] mass: 114.818000 reduced_to: 29 - symbol: In # 50 coordinates: [ 0.046527970000000, 0.500000000000000, 0.348776710000000 ] mass: 114.818000 reduced_to: 30 - symbol: In # 51 coordinates: [ 0.402929130000000, 0.000000000000000, 0.800031690000000 ] mass: 114.818000 reduced_to: 31 - symbol: In # 52 coordinates: [ 0.425069220000000, 0.750070700000000, 0.474839570000000 ] mass: 114.818000 reduced_to: 32 - symbol: In # 53 coordinates: [ 0.925069220000000, 0.749929300000000, 0.474839570000000 ] mass: 114.818000 reduced_to: 33 - symbol: In # 54 coordinates: [ 0.803584750000000, 0.000000000000000, 0.600832050000000 ] mass: 114.818000 reduced_to: 34 - symbol: In # 55 coordinates: [ 0.825984840000000, 0.750348090000000, 0.275301710000000 ] mass: 114.818000 reduced_to: 35 - symbol: In # 56 coordinates: [ 0.947578700000000, 0.000000000000000, 0.148648460000000 ] mass: 114.818000 reduced_to: 36 - symbol: In # 57 coordinates: [ 0.825984840000000, 0.249651910000000, 0.275301710000000 ] mass: 114.818000 reduced_to: 37 - symbol: In # 58 coordinates: [ 0.226416690000000, 0.750281220000000, 0.076192630000000 ] mass: 114.818000 reduced_to: 38 - symbol: In # 59 coordinates: [ 0.726416690000000, 0.749718780000000, 0.076192630000000 ] mass: 114.818000 reduced_to: 39 - symbol: In # 60 coordinates: [ 0.105142420000000, 0.500000000000000, 0.202040420000000 ] mass: 114.818000 reduced_to: 40 - symbol: O # 61 coordinates: [ 0.271867810000000, 0.271768400000000, 0.921500130000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.223466990000000, 0.500000000000000, 0.830429340000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.771867810000000, 0.228231600000000, 0.921500130000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.033627430000000, 0.500000000000000, 0.922867140000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.711322340000000, 0.500000000000000, 0.823943210000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.169666310000000, 0.774193210000000, 0.723009740000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.023814260000000, 0.000000000000000, 0.920671660000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.977428570000000, 0.775061680000000, 0.825075800000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.126079210000000, 0.000000000000000, 0.629726840000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.169666310000000, 0.225806790000000, 0.723009740000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.436304680000000, 0.500000000000000, 0.724034500000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.977428570000000, 0.224938320000000, 0.825075800000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.111735790000000, 0.500000000000000, 0.624940470000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.070413610000000, 0.274821690000000, 0.523469170000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.922366580000000, 0.500000000000000, 0.718980290000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.878610780000000, 0.274704850000000, 0.626018360000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.526872630000000, 0.000000000000000, 0.430159570000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.570413610000000, 0.225178310000000, 0.523469170000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.337537850000000, 0.000000000000000, 0.524509150000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.378610780000000, 0.225295150000000, 0.626018360000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.012612840000000, 0.000000000000000, 0.425485180000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.471219010000000, 0.274930860000000, 0.323963310000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.323210640000000, 0.500000000000000, 0.519668850000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.279381720000000, 0.274640740000000, 0.426575260000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.427613520000000, 0.500000000000000, 0.230320660000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.971219010000000, 0.225069140000000, 0.323963310000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.238370830000000, 0.500000000000000, 0.325019630000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.279381720000000, 0.725359260000000, 0.426575260000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.413373780000000, 0.000000000000000, 0.226086090000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.371567050000000, 0.775746740000000, 0.124721870000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.224129950000000, 0.000000000000000, 0.320114990000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.680025270000000, 0.274622850000000, 0.227212370000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.329614030000000, 0.000000000000000, 0.030968440000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.371567050000000, 0.224253260000000, 0.124721870000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.139697140000000, 0.000000000000000, 0.125876320000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.180025270000000, 0.225377150000000, 0.227212370000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.819373750000000, 0.000000000000000, 0.026900240000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.624420860000000, 0.000000000000000, 0.120821430000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.579155580000000, 0.763447130000000, 0.027574660000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.579155580000000, 0.236552870000000, 0.027574660000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.771867810000000, 0.771768400000000, 0.921500130000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 102 coordinates: [ 0.723466990000000, 0.000000000000000, 0.830429340000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 103 coordinates: [ 0.271867810000000, 0.728231600000000, 0.921500130000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 104 coordinates: [ 0.533627430000000, 0.000000000000000, 0.922867140000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 105 coordinates: [ 0.211322340000000, 0.000000000000000, 0.823943210000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 106 coordinates: [ 0.669666310000000, 0.274193210000000, 0.723009740000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 107 coordinates: [ 0.523814260000000, 0.500000000000000, 0.920671660000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 108 coordinates: [ 0.477428570000000, 0.275061680000000, 0.825075800000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 109 coordinates: [ 0.626079210000000, 0.500000000000000, 0.629726840000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 110 coordinates: [ 0.669666310000000, 0.725806790000000, 0.723009740000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 111 coordinates: [ 0.936304680000000, 0.000000000000000, 0.724034500000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 112 coordinates: [ 0.477428570000000, 0.724938320000000, 0.825075800000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 113 coordinates: [ 0.611735790000000, 0.000000000000000, 0.624940470000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 114 coordinates: [ 0.570413610000000, 0.774821690000000, 0.523469170000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 115 coordinates: [ 0.422366580000000, 0.000000000000000, 0.718980290000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 116 coordinates: [ 0.378610780000000, 0.774704850000000, 0.626018360000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 117 coordinates: [ 0.026872630000000, 0.500000000000000, 0.430159570000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 118 coordinates: [ 0.070413610000000, 0.725178310000000, 0.523469170000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 119 coordinates: [ 0.837537850000000, 0.500000000000000, 0.524509150000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 120 coordinates: [ 0.878610780000000, 0.725295150000000, 0.626018360000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 121 coordinates: [ 0.512612840000000, 0.500000000000000, 0.425485180000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 122 coordinates: [ 0.971219010000000, 0.774930860000000, 0.323963310000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 123 coordinates: [ 0.823210640000000, 0.000000000000000, 0.519668850000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 124 coordinates: [ 0.779381720000000, 0.774640740000000, 0.426575260000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 125 coordinates: [ 0.927613520000000, 0.000000000000000, 0.230320660000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 126 coordinates: [ 0.471219010000000, 0.725069140000000, 0.323963310000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 127 coordinates: [ 0.738370830000000, 0.000000000000000, 0.325019630000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 128 coordinates: [ 0.779381720000000, 0.225359260000000, 0.426575260000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 129 coordinates: [ 0.913373780000000, 0.500000000000000, 0.226086090000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 130 coordinates: [ 0.871567050000000, 0.275746740000000, 0.124721870000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 131 coordinates: [ 0.724129950000000, 0.500000000000000, 0.320114990000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 132 coordinates: [ 0.180025270000000, 0.774622850000000, 0.227212370000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 133 coordinates: [ 0.829614030000000, 0.500000000000000, 0.030968440000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 134 coordinates: [ 0.871567050000000, 0.724253260000000, 0.124721870000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 135 coordinates: [ 0.639697140000000, 0.500000000000000, 0.125876320000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 136 coordinates: [ 0.680025270000000, 0.725377150000000, 0.227212370000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 137 coordinates: [ 0.319373750000000, 0.500000000000000, 0.026900240000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 138 coordinates: [ 0.124420860000000, 0.500000000000000, 0.120821430000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 139 coordinates: [ 0.079155580000000, 0.263447130000000, 0.027574660000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 140 coordinates: [ 0.079155580000000, 0.736552870000000, 0.027574660000000 ] mass: 15.999400 reduced_to: 100supercell: lattice: - [ 10.832797640000001, 0.000000000000000, 0.019705580000000 ] # a - [ 0.000000000000000, 6.364326840000000, 0.000000000000000 ] # b - [ 3.694661510000000, 0.000000000000000, 25.595616400000001 ] # c points: - symbol: Mg # 1 coordinates: [ 0.003984200000000, 0.000000000000000, 0.000425530000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 2 coordinates: [ 0.376629340000000, 0.500000000000000, 0.873604320000000 ] mass: 24.305000 reduced_to: 2 - symbol: Mg # 3 coordinates: [ 0.274279330000000, 0.000000000000000, 0.674298710000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 4 coordinates: [ 0.074072070000000, 0.000000000000000, 0.773673720000000 ] mass: 24.305000 reduced_to: 4 - symbol: Mg # 5 coordinates: [ 0.175023030000000, 0.500000000000000, 0.474857880000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 6 coordinates: [ 0.974598900000000, 0.500000000000000, 0.574601760000000 ] mass: 24.305000 reduced_to: 6 - symbol: Mg # 7 coordinates: [ 0.075697210000000, 0.000000000000000, 0.275339110000000 ] mass: 24.305000 reduced_to: 7 - symbol: Mg # 8 coordinates: [ 0.375380780000000, 0.500000000000000, 0.375148170000000 ] mass: 24.305000 reduced_to: 8 - symbol: Mg # 9 coordinates: [ 0.476470940000000, 0.000000000000000, 0.076509830000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 10 coordinates: [ 0.275995260000000, 0.000000000000000, 0.175948160000000 ] mass: 24.305000 reduced_to: 10 - symbol: Mg # 11 coordinates: [ 0.503984200000000, 0.500000000000000, 0.000425530000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 12 coordinates: [ 0.876629340000000, 0.000000000000000, 0.873604320000000 ] mass: 24.305000 reduced_to: 2 - symbol: Mg # 13 coordinates: [ 0.774279330000000, 0.500000000000000, 0.674298710000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 14 coordinates: [ 0.574072070000000, 0.500000000000000, 0.773673720000000 ] mass: 24.305000 reduced_to: 4 - symbol: Mg # 15 coordinates: [ 0.675023030000000, 0.000000000000000, 0.474857880000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 16 coordinates: [ 0.474598900000000, 0.000000000000000, 0.574601760000000 ] mass: 24.305000 reduced_to: 6 - symbol: Mg # 17 coordinates: [ 0.575697210000000, 0.500000000000000, 0.275339110000000 ] mass: 24.305000 reduced_to: 7 - symbol: Mg # 18 coordinates: [ 0.875380780000000, 0.000000000000000, 0.375148170000000 ] mass: 24.305000 reduced_to: 8 - symbol: Mg # 19 coordinates: [ 0.976470940000000, 0.500000000000000, 0.076509830000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 20 coordinates: [ 0.775995260000000, 0.500000000000000, 0.175948160000000 ] mass: 24.305000 reduced_to: 10 - symbol: In # 21 coordinates: [ 0.842673430000000, 0.500000000000000, 0.950949820000000 ] mass: 114.818000 reduced_to: 21 - symbol: In # 22 coordinates: [ 0.173789500000000, 0.500000000000000, 0.977041710000000 ] mass: 114.818000 reduced_to: 22 - symbol: In # 23 coordinates: [ 0.121602240000000, 0.245612980000000, 0.874025550000000 ] mass: 114.818000 reduced_to: 23 - symbol: In # 24 coordinates: [ 0.244603400000000, 0.500000000000000, 0.748669590000000 ] mass: 114.818000 reduced_to: 24 - symbol: In # 25 coordinates: [ 0.121602240000000, 0.754387020000000, 0.874025550000000 ] mass: 114.818000 reduced_to: 25 - symbol: In # 26 coordinates: [ 0.524234730000000, 0.250042490000000, 0.674303010000000 ] mass: 114.818000 reduced_to: 26 - symbol: In # 27 coordinates: [ 0.204467310000000, 0.000000000000000, 0.401233070000000 ] mass: 114.818000 reduced_to: 27 - symbol: In # 28 coordinates: [ 0.145741300000000, 0.000000000000000, 0.548278910000000 ] mass: 114.818000 reduced_to: 28 - symbol: In # 29 coordinates: [ 0.024234730000000, 0.249957510000000, 0.674303010000000 ] mass: 114.818000 reduced_to: 29 - symbol: In # 30 coordinates: [ 0.546527970000000, 0.000000000000000, 0.348776710000000 ] mass: 114.818000 reduced_to: 30 - symbol: In # 31 coordinates: [ 0.902929130000000, 0.500000000000000, 0.800031690000000 ] mass: 114.818000 reduced_to: 31 - symbol: In # 32 coordinates: [ 0.925069220000000, 0.250070700000000, 0.474839570000000 ] mass: 114.818000 reduced_to: 32 - symbol: In # 33 coordinates: [ 0.425069220000000, 0.249929300000000, 0.474839570000000 ] mass: 114.818000 reduced_to: 33 - symbol: In # 34 coordinates: [ 0.303584750000000, 0.500000000000000, 0.600832050000000 ] mass: 114.818000 reduced_to: 34 - symbol: In # 35 coordinates: [ 0.325984840000000, 0.250348090000000, 0.275301710000000 ] mass: 114.818000 reduced_to: 35 - symbol: In # 36 coordinates: [ 0.447578700000000, 0.500000000000000, 0.148648460000000 ] mass: 114.818000 reduced_to: 36 - symbol: In # 37 coordinates: [ 0.325984840000000, 0.749651910000000, 0.275301710000000 ] mass: 114.818000 reduced_to: 37 - symbol: In # 38 coordinates: [ 0.726416690000000, 0.250281220000000, 0.076192630000000 ] mass: 114.818000 reduced_to: 38 - symbol: In # 39 coordinates: [ 0.226416690000000, 0.249718780000000, 0.076192630000000 ] mass: 114.818000 reduced_to: 39 - symbol: In # 40 coordinates: [ 0.605142420000000, 0.000000000000000, 0.202040420000000 ] mass: 114.818000 reduced_to: 40 - symbol: In # 41 coordinates: [ 0.342673430000000, 0.000000000000000, 0.950949820000000 ] mass: 114.818000 reduced_to: 21 - symbol: In # 42 coordinates: [ 0.673789500000000, 0.000000000000000, 0.977041710000000 ] mass: 114.818000 reduced_to: 22 - symbol: In # 43 coordinates: [ 0.621602240000000, 0.745612980000000, 0.874025550000000 ] mass: 114.818000 reduced_to: 23 - symbol: In # 44 coordinates: [ 0.744603400000000, 0.000000000000000, 0.748669590000000 ] mass: 114.818000 reduced_to: 24 - symbol: In # 45 coordinates: [ 0.621602240000000, 0.254387020000000, 0.874025550000000 ] mass: 114.818000 reduced_to: 25 - symbol: In # 46 coordinates: [ 0.024234730000000, 0.750042490000000, 0.674303010000000 ] mass: 114.818000 reduced_to: 26 - symbol: In # 47 coordinates: [ 0.704467310000000, 0.500000000000000, 0.401233070000000 ] mass: 114.818000 reduced_to: 27 - symbol: In # 48 coordinates: [ 0.645741300000000, 0.500000000000000, 0.548278910000000 ] mass: 114.818000 reduced_to: 28 - symbol: In # 49 coordinates: [ 0.524234730000000, 0.749957510000000, 0.674303010000000 ] mass: 114.818000 reduced_to: 29 - symbol: In # 50 coordinates: [ 0.046527970000000, 0.500000000000000, 0.348776710000000 ] mass: 114.818000 reduced_to: 30 - symbol: In # 51 coordinates: [ 0.402929130000000, 0.000000000000000, 0.800031690000000 ] mass: 114.818000 reduced_to: 31 - symbol: In # 52 coordinates: [ 0.425069220000000, 0.750070700000000, 0.474839570000000 ] mass: 114.818000 reduced_to: 32 - symbol: In # 53 coordinates: [ 0.925069220000000, 0.749929300000000, 0.474839570000000 ] mass: 114.818000 reduced_to: 33 - symbol: In # 54 coordinates: [ 0.803584750000000, 0.000000000000000, 0.600832050000000 ] mass: 114.818000 reduced_to: 34 - symbol: In # 55 coordinates: [ 0.825984840000000, 0.750348090000000, 0.275301710000000 ] mass: 114.818000 reduced_to: 35 - symbol: In # 56 coordinates: [ 0.947578700000000, 0.000000000000000, 0.148648460000000 ] mass: 114.818000 reduced_to: 36 - symbol: In # 57 coordinates: [ 0.825984840000000, 0.249651910000000, 0.275301710000000 ] mass: 114.818000 reduced_to: 37 - symbol: In # 58 coordinates: [ 0.226416690000000, 0.750281220000000, 0.076192630000000 ] mass: 114.818000 reduced_to: 38 - symbol: In # 59 coordinates: [ 0.726416690000000, 0.749718780000000, 0.076192630000000 ] mass: 114.818000 reduced_to: 39 - symbol: In # 60 coordinates: [ 0.105142420000000, 0.500000000000000, 0.202040420000000 ] mass: 114.818000 reduced_to: 40 - symbol: O # 61 coordinates: [ 0.271867810000000, 0.271768400000000, 0.921500130000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.223466990000000, 0.500000000000000, 0.830429340000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.771867810000000, 0.228231600000000, 0.921500130000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.033627430000000, 0.500000000000000, 0.922867140000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.711322340000000, 0.500000000000000, 0.823943210000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.169666310000000, 0.774193210000000, 0.723009740000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.023814260000000, 0.000000000000000, 0.920671660000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.977428570000000, 0.775061680000000, 0.825075800000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.126079210000000, 0.000000000000000, 0.629726840000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.169666310000000, 0.225806790000000, 0.723009740000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.436304680000000, 0.500000000000000, 0.724034500000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.977428570000000, 0.224938320000000, 0.825075800000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.111735790000000, 0.500000000000000, 0.624940470000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.070413610000000, 0.274821690000000, 0.523469170000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.922366580000000, 0.500000000000000, 0.718980290000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.878610780000000, 0.274704850000000, 0.626018360000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.526872630000000, 0.000000000000000, 0.430159570000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.570413610000000, 0.225178310000000, 0.523469170000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.337537850000000, 0.000000000000000, 0.524509150000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.378610780000000, 0.225295150000000, 0.626018360000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.012612840000000, 0.000000000000000, 0.425485180000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.471219010000000, 0.274930860000000, 0.323963310000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.323210640000000, 0.500000000000000, 0.519668850000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.279381720000000, 0.274640740000000, 0.426575260000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.427613520000000, 0.500000000000000, 0.230320660000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.971219010000000, 0.225069140000000, 0.323963310000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.238370830000000, 0.500000000000000, 0.325019630000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.279381720000000, 0.725359260000000, 0.426575260000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.413373780000000, 0.000000000000000, 0.226086090000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.371567050000000, 0.775746740000000, 0.124721870000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.224129950000000, 0.000000000000000, 0.320114990000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.680025270000000, 0.274622850000000, 0.227212370000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.329614030000000, 0.000000000000000, 0.030968440000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.371567050000000, 0.224253260000000, 0.124721870000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.139697140000000, 0.000000000000000, 0.125876320000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.180025270000000, 0.225377150000000, 0.227212370000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.819373750000000, 0.000000000000000, 0.026900240000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.624420860000000, 0.000000000000000, 0.120821430000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.579155580000000, 0.763447130000000, 0.027574660000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.579155580000000, 0.236552870000000, 0.027574660000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.771867810000000, 0.771768400000000, 0.921500130000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 102 coordinates: [ 0.723466990000000, 0.000000000000000, 0.830429340000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 103 coordinates: [ 0.271867810000000, 0.728231600000000, 0.921500130000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 104 coordinates: [ 0.533627430000000, 0.000000000000000, 0.922867140000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 105 coordinates: [ 0.211322340000000, 0.000000000000000, 0.823943210000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 106 coordinates: [ 0.669666310000000, 0.274193210000000, 0.723009740000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 107 coordinates: [ 0.523814260000000, 0.500000000000000, 0.920671660000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 108 coordinates: [ 0.477428570000000, 0.275061680000000, 0.825075800000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 109 coordinates: [ 0.626079210000000, 0.500000000000000, 0.629726840000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 110 coordinates: [ 0.669666310000000, 0.725806790000000, 0.723009740000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 111 coordinates: [ 0.936304680000000, 0.000000000000000, 0.724034500000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 112 coordinates: [ 0.477428570000000, 0.724938320000000, 0.825075800000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 113 coordinates: [ 0.611735790000000, 0.000000000000000, 0.624940470000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 114 coordinates: [ 0.570413610000000, 0.774821690000000, 0.523469170000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 115 coordinates: [ 0.422366580000000, 0.000000000000000, 0.718980290000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 116 coordinates: [ 0.378610780000000, 0.774704850000000, 0.626018360000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 117 coordinates: [ 0.026872630000000, 0.500000000000000, 0.430159570000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 118 coordinates: [ 0.070413610000000, 0.725178310000000, 0.523469170000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 119 coordinates: [ 0.837537850000000, 0.500000000000000, 0.524509150000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 120 coordinates: [ 0.878610780000000, 0.725295150000000, 0.626018360000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 121 coordinates: [ 0.512612840000000, 0.500000000000000, 0.425485180000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 122 coordinates: [ 0.971219010000000, 0.774930860000000, 0.323963310000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 123 coordinates: [ 0.823210640000000, 0.000000000000000, 0.519668850000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 124 coordinates: [ 0.779381720000000, 0.774640740000000, 0.426575260000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 125 coordinates: [ 0.927613520000000, 0.000000000000000, 0.230320660000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 126 coordinates: [ 0.471219010000000, 0.725069140000000, 0.323963310000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 127 coordinates: [ 0.738370830000000, 0.000000000000000, 0.325019630000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 128 coordinates: [ 0.779381720000000, 0.225359260000000, 0.426575260000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 129 coordinates: [ 0.913373780000000, 0.500000000000000, 0.226086090000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 130 coordinates: [ 0.871567050000000, 0.275746740000000, 0.124721870000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 131 coordinates: [ 0.724129950000000, 0.500000000000000, 0.320114990000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 132 coordinates: [ 0.180025270000000, 0.774622850000000, 0.227212370000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 133 coordinates: [ 0.829614030000000, 0.500000000000000, 0.030968440000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 134 coordinates: [ 0.871567050000000, 0.724253260000000, 0.124721870000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 135 coordinates: [ 0.639697140000000, 0.500000000000000, 0.125876320000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 136 coordinates: [ 0.680025270000000, 0.725377150000000, 0.227212370000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 137 coordinates: [ 0.319373750000000, 0.500000000000000, 0.026900240000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 138 coordinates: [ 0.124420860000000, 0.500000000000000, 0.120821430000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 139 coordinates: [ 0.079155580000000, 0.263447130000000, 0.027574660000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 140 coordinates: [ 0.079155580000000, 0.736552870000000, 0.027574660000000 ] mass: 15.999400 reduced_to: 100displacements:- atom: 1 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0995899400000000, 0.0000000000000000, 0.0008710400000000 ] - [ 0.0018627100000000, 0.0000000000000000, -0.0015796500000000 ] - [ -0.0000054200000000, 0.0000000000000000, -0.0001135000000000 ] - [ -0.0004058000000000, 0.0000000000000000, -0.0000571400000000 ] - [ -0.0000109100000000, 0.0000000000000000, -0.0000306300000000 ] - [ 0.0000104600000000, 0.0000000000000000, -0.0000213000000000 ] - [ -0.0003383700000000, 0.0000000000000000, 0.0003169500000000 ] - [ 0.0000961800000000, 0.0000000000000000, -0.0000516700000000 ] - [ 0.0045412000000000, 0.0000000000000000, -0.0001461600000000 ] - [ 0.0012336700000000, 0.0000000000000000, 0.0009316900000000 ] - [ 0.0037419800000000, 0.0000000000000000, 0.0001896900000000 ] - [ -0.0015504900000000, 0.0000000000000000, 0.0032422200000000 ] - [ -0.0000883500000000, 0.0000000000000000, 0.0000449200000000 ] - [ 0.0003499600000000, 0.0000000000000000, 0.0000990800000000 ] - [ 0.0000056700000000, 0.0000000000000000, -0.0000577000000000 ] - [ 0.0000677500000000, 0.0000000000000000, -0.0000402500000000 ] - [ 0.0003525900000000, 0.0000000000000000, -0.0002573200000000 ] - [ -0.0000738200000000, 0.0000000000000000, -0.0000765500000000 ] - [ -0.0073994100000000, 0.0000000000000000, 0.0032898500000000 ] - [ -0.0000162000000000, 0.0000000000000000, -0.0010195000000000 ] - [ -0.0023583500000000, 0.0000000000000000, 0.0041680300000000 ] - [ 0.0033160800000000, 0.0000000000000000, -0.0058448200000000 ] - [ -0.0023769400000000, 0.0000301700000000, -0.0033136400000000 ] - [ -0.0001142200000000, 0.0000000000000000, -0.0006290300000000 ] - [ -0.0023769400000000, -0.0000301700000000, -0.0033136400000000 ] - [ 0.0001317000000000, 0.0000649300000000, -0.0000675800000000 ] - [ -0.0000106400000000, 0.0000000000000000, 0.0000759200000000 ] - [ -0.0000445500000000, 0.0000000000000000, -0.0000297500000000 ] - [ -0.0002000500000000, -0.0000939900000000, -0.0000563000000000 ] - [ 0.0001871100000000, 0.0000000000000000, -0.0002316600000000 ] - [ -0.0011074900000000, 0.0000000000000000, 0.0004954600000000 ] - [ -0.0000192800000000, -0.0000418100000000, -0.0000496100000000 ] - [ 0.0000643200000000, 0.0000420100000000, -0.0000651600000000 ] - [ -0.0000625600000000, 0.0000000000000000, -0.0000629900000000 ] - [ 0.0006592200000000, -0.0001334700000000, 0.0001512800000000 ] - [ 0.0027180200000000, 0.0000000000000000, -0.0002021600000000 ] - [ 0.0006592200000000, 0.0001334700000000, 0.0001512800000000 ] - [ 0.0049629700000000, -0.0068268100000000, -0.0078399500000000 ] - [ 0.0069012400000000, 0.0029981500000000, 0.0067600100000000 ] - [ 0.0005528400000000, 0.0000000000000000, -0.0022043100000000 ] - [ 0.0108717400000000, 0.0000000000000000, -0.0050207500000000 ] - [ 0.0125808200000000, 0.0000000000000000, 0.0056971800000000 ] - [ 0.0025248600000000, -0.0002777400000000, 0.0012754000000000 ] - [ -0.0001708100000000, 0.0000000000000000, 0.0006083000000000 ] - [ 0.0025248600000000, 0.0002777400000000, 0.0012754000000000 ] - [ -0.0002000500000000, 0.0000939900000000, -0.0000563000000000 ] - [ -0.0000038500000000, 0.0000000000000000, -0.0001381500000000 ] - [ -0.0000281100000000, 0.0000000000000000, -0.0000080600000000 ] - [ 0.0001317000000000, -0.0000649300000000, -0.0000675800000000 ] - [ -0.0000959200000000, 0.0000000000000000, 0.0000235800000000 ] - [ 0.0003541900000000, 0.0000000000000000, -0.0006704600000000 ] - [ 0.0000643200000000, -0.0000420100000000, -0.0000651600000000 ] - [ -0.0000192800000000, 0.0000418100000000, -0.0000496100000000 ] - [ -0.0000800100000000, 0.0000000000000000, 0.0000089000000000 ] - [ -0.0002938800000000, 0.0000210100000000, -0.0003263800000000 ] - [ -0.0055102000000000, 0.0000000000000000, 0.0001334700000000 ] - [ -0.0002938800000000, -0.0000210100000000, -0.0003263800000000 ] - [ 0.0069012400000000, -0.0029981500000000, 0.0067600100000000 ] - [ 0.0049629700000000, 0.0068268100000000, -0.0078399500000000 ] - [ -0.0007695400000000, 0.0000000000000000, 0.0019361500000000 ] - [ -0.0012062000000000, -0.0006450300000000, 0.0031878400000000 ] - [ 0.0002159900000000, 0.0000000000000000, 0.0014206800000000 ] - [ -0.0016373000000000, 0.0011908900000000, -0.0034945000000000 ] - [ 0.0042789600000000, 0.0000000000000000, 0.0016218500000000 ] - [ -0.0003565300000000, 0.0000000000000000, -0.0009240400000000 ] - [ 0.0000818300000000, -0.0000891200000000, 0.0002500400000000 ] - [ 0.0109115200000000, 0.0000000000000000, 0.0025688600000000 ] - [ 0.0006877500000000, 0.0000747900000000, 0.0000398700000000 ] - [ -0.0001067900000000, 0.0000000000000000, 0.0001577100000000 ] - [ 0.0000818300000000, 0.0000891200000000, 0.0002500400000000 ] - [ -0.0002507700000000, 0.0000000000000000, 0.0001906800000000 ] - [ 0.0006877500000000, -0.0000747900000000, 0.0000398700000000 ] - [ -0.0000061000000000, 0.0000000000000000, 0.0000093300000000 ] - [ 0.0000136200000000, -0.0000708900000000, -0.0000373800000000 ] - [ 0.0000975700000000, 0.0000000000000000, -0.0001257300000000 ] - [ 0.0000293000000000, 0.0001183400000000, 0.0000169200000000 ] - [ 0.0000438400000000, 0.0000000000000000, 0.0000778300000000 ] - [ -0.0000112600000000, 0.0000660500000000, -0.0000333200000000 ] - [ -0.0000357300000000, 0.0000000000000000, 0.0000661200000000 ] - [ -0.0000095500000000, -0.0001167600000000, 0.0000724500000000 ] - [ -0.0000491100000000, 0.0000000000000000, 0.0000172900000000 ] - [ -0.0001567900000000, 0.0000333100000000, 0.0000337100000000 ] - [ -0.0000986800000000, 0.0000000000000000, -0.0000375500000000 ] - [ 0.0000019700000000, -0.0000090800000000, 0.0000923700000000 ] - [ -0.0003542700000000, 0.0000000000000000, -0.0001063200000000 ] - [ 0.0001393100000000, 0.0000039100000000, -0.0000241200000000 ] - [ -0.0000494500000000, 0.0000000000000000, -0.0000969500000000 ] - [ 0.0000019700000000, 0.0000090800000000, 0.0000923700000000 ] - [ -0.0008998600000000, 0.0000000000000000, 0.0003056700000000 ] - [ -0.0021412800000000, 0.0002640800000000, -0.0008508300000000 ] - [ -0.0000862100000000, 0.0000000000000000, -0.0001411600000000 ] - [ 0.0002878500000000, 0.0002353000000000, 0.0006844400000000 ] - [ -0.0053031200000000, 0.0000000000000000, -0.0011016000000000 ] - [ -0.0021412800000000, -0.0002640800000000, -0.0008508300000000 ] - [ 0.0004497600000000, 0.0000000000000000, -0.0035383600000000 ] - [ -0.0001931900000000, 0.0000783800000000, -0.0008306500000000 ] - [ 0.0368053200000000, 0.0000000000000000, -0.0092625100000000 ] - [ -0.0025932000000000, 0.0000000000000000, 0.0042501100000000 ] - [ -0.0051945900000000, -0.0017733600000000, -0.0000956300000000 ] - [ -0.0051945900000000, 0.0017733600000000, -0.0000956300000000 ] - [ -0.0016373000000000, -0.0011908900000000, -0.0034945000000000 ] - [ -0.0004068900000000, 0.0000000000000000, -0.0009195000000000 ] - [ -0.0012062000000000, 0.0006450300000000, 0.0031878400000000 ] - [ -0.0036282400000000, 0.0000000000000000, 0.0000039200000000 ] - [ 0.0005941700000000, 0.0000000000000000, 0.0001309300000000 ] - [ -0.0002169600000000, 0.0000330200000000, -0.0001043300000000 ] - [ -0.0020696000000000, 0.0000000000000000, -0.0003618200000000 ] - [ -0.0008878700000000, 0.0000172800000000, 0.0002185300000000 ] - [ -0.0001896400000000, 0.0000000000000000, 0.0000846800000000 ] - [ -0.0002169600000000, -0.0000330200000000, -0.0001043300000000 ] - [ 0.0001542200000000, 0.0000000000000000, -0.0000672500000000 ] - [ -0.0008878700000000, -0.0000172800000000, 0.0002185300000000 ] - [ -0.0000780200000000, 0.0000000000000000, -0.0000318700000000 ] - [ -0.0000112600000000, -0.0000660500000000, -0.0000333200000000 ] - [ -0.0001158300000000, 0.0000000000000000, 0.0000462000000000 ] - [ -0.0000095500000000, 0.0001167600000000, 0.0000724500000000 ] - [ 0.0000962800000000, 0.0000000000000000, 0.0000245500000000 ] - [ 0.0000136200000000, 0.0000708900000000, -0.0000373800000000 ] - [ -0.0000093800000000, 0.0000000000000000, 0.0000555800000000 ] - [ 0.0000293000000000, -0.0001183400000000, 0.0000169200000000 ] - [ -0.0001292600000000, 0.0000000000000000, 0.0000693400000000 ] - [ 0.0001393100000000, -0.0000039100000000, -0.0000241200000000 ] - [ -0.0000768500000000, 0.0000000000000000, -0.0000462600000000 ] - [ 0.0000665400000000, 0.0000112600000000, 0.0001576200000000 ] - [ 0.0007336800000000, 0.0000000000000000, 0.0001191500000000 ] - [ -0.0001567900000000, -0.0000333100000000, 0.0000337100000000 ] - [ 0.0000639700000000, 0.0000000000000000, 0.0002081500000000 ] - [ 0.0000665400000000, -0.0000112600000000, 0.0001576200000000 ] - [ 0.0009342700000000, 0.0000000000000000, 0.0000845800000000 ] - [ 0.0034892400000000, 0.0009822800000000, 0.0020325400000000 ] - [ 0.0000972700000000, 0.0000000000000000, 0.0002653400000000 ] - [ -0.0001931900000000, -0.0000783800000000, -0.0008306500000000 ] - [ 0.0022606500000000, 0.0000000000000000, 0.0006053800000000 ] - [ 0.0034892400000000, -0.0009822800000000, 0.0020325400000000 ] - [ -0.0009246100000000, 0.0000000000000000, 0.0012152800000000 ] - [ 0.0002878500000000, -0.0002353000000000, 0.0006844400000000 ] - [ -0.0042007700000000, 0.0000000000000000, -0.0004915700000000 ] - [ -0.0000283200000000, 0.0000000000000000, -0.0038621500000000 ] - [ 0.0151542800000000, 0.0115293200000000, 0.0041546200000000 ] - [ 0.0151542800000000, -0.0115293200000000, 0.0041546200000000 ]- atom: 1 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.1025708900000000, 0.0000000000000000, -0.0027512100000000 ] - [ -0.0020125000000000, 0.0000000000000000, 0.0015333400000000 ] - [ -0.0001070500000000, 0.0000000000000000, 0.0000942500000000 ] - [ 0.0001999800000000, 0.0000000000000000, 0.0001588400000000 ] - [ -0.0000022000000000, 0.0000000000000000, -0.0000007100000000 ] - [ 0.0000604300000000, 0.0000000000000000, 0.0000201500000000 ] - [ 0.0003785400000000, 0.0000000000000000, -0.0002756300000000 ] - [ -0.0000927700000000, 0.0000000000000000, -0.0000085700000000 ] - [ -0.0045785800000000, 0.0000000000000000, 0.0000830100000000 ] - [ -0.0009925500000000, 0.0000000000000000, -0.0009753600000000 ] - [ -0.0036813700000000, 0.0000000000000000, -0.0003421100000000 ] - [ 0.0014264800000000, 0.0000000000000000, -0.0032981900000000 ] - [ -0.0000210000000000, 0.0000000000000000, -0.0000652100000000 ] - [ -0.0005560600000000, 0.0000000000000000, -0.0000065300000000 ] - [ -0.0000175000000000, 0.0000000000000000, 0.0000267000000000 ] - [ 0.0000026800000000, 0.0000000000000000, 0.0000384700000000 ] - [ -0.0003129900000000, 0.0000000000000000, 0.0002983600000000 ] - [ 0.0000776800000000, 0.0000000000000000, 0.0000146500000000 ] - [ 0.0073773100000000, 0.0000000000000000, -0.0033891500000000 ] - [ 0.0002605500000000, 0.0000000000000000, 0.0009742900000000 ] - [ 0.0025384500000000, 0.0000000000000000, -0.0042186400000000 ] - [ -0.0032168100000000, 0.0000000000000000, 0.0058562800000000 ] - [ 0.0023725500000000, -0.0003411800000000, 0.0033141500000000 ] - [ -0.0001948300000000, 0.0000000000000000, 0.0007592600000000 ] - [ 0.0023725500000000, 0.0003411800000000, 0.0033141500000000 ] - [ -0.0002058800000000, 0.0001128800000000, 0.0000468800000000 ] - [ 0.0000010800000000, 0.0000000000000000, -0.0000364400000000 ] - [ -0.0000411300000000, 0.0000000000000000, 0.0000861600000000 ] - [ 0.0001269400000000, -0.0000827400000000, 0.0000373900000000 ] - [ -0.0000772100000000, 0.0000000000000000, 0.0001145600000000 ] - [ 0.0007649900000000, 0.0000000000000000, -0.0004877000000000 ] - [ 0.0000620100000000, -0.0000421000000000, 0.0000267500000000 ] - [ -0.0000221800000000, 0.0000425100000000, 0.0000424000000000 ] - [ -0.0000721500000000, 0.0000000000000000, 0.0001150800000000 ] - [ -0.0003899800000000, 0.0001065400000000, -0.0001837000000000 ] - [ -0.0027955200000000, 0.0000000000000000, 0.0001958700000000 ] - [ -0.0003899800000000, -0.0001065400000000, -0.0001837000000000 ] - [ -0.0049433700000000, 0.0068759100000000, 0.0077944500000000 ] - [ -0.0068630800000000, -0.0029724400000000, -0.0068085500000000 ] - [ -0.0004674900000000, 0.0000000000000000, 0.0021785000000000 ] - [ -0.0106505400000000, 0.0000000000000000, 0.0049238500000000 ] - [ -0.0125342200000000, 0.0000000000000000, -0.0057233300000000 ] - [ -0.0024970200000000, -0.0000139700000000, -0.0013090400000000 ] - [ -0.0001327300000000, 0.0000000000000000, -0.0004842500000000 ] - [ -0.0024970200000000, 0.0000139700000000, -0.0013090400000000 ] - [ 0.0001269400000000, 0.0000827400000000, 0.0000373900000000 ] - [ -0.0000048200000000, 0.0000000000000000, 0.0001782000000000 ] - [ -0.0000567400000000, 0.0000000000000000, 0.0000639300000000 ] - [ -0.0002058800000000, -0.0001128800000000, 0.0000468800000000 ] - [ 0.0002054600000000, 0.0000000000000000, -0.0001419900000000 ] - [ -0.0007179100000000, 0.0000000000000000, 0.0006752100000000 ] - [ -0.0000221800000000, -0.0000425100000000, 0.0000424000000000 ] - [ 0.0000620100000000, 0.0000421000000000, 0.0000267500000000 ] - [ -0.0000548000000000, 0.0000000000000000, 0.0000442400000000 ] - [ 0.0005658500000000, -0.0000481700000000, 0.0002934500000000 ] - [ 0.0054397700000000, 0.0000000000000000, -0.0001692100000000 ] - [ 0.0005658500000000, 0.0000481700000000, 0.0002934500000000 ] - [ -0.0068630800000000, 0.0029724400000000, -0.0068085500000000 ] - [ -0.0049433700000000, -0.0068759100000000, 0.0077944500000000 ] - [ 0.0008544400000000, 0.0000000000000000, -0.0019720500000000 ] - [ 0.0011711300000000, 0.0009086200000000, -0.0031943600000000 ] - [ -0.0003993700000000, 0.0000000000000000, -0.0011313600000000 ] - [ 0.0016016200000000, -0.0014840400000000, 0.0034957800000000 ] - [ -0.0043409600000000, 0.0000000000000000, -0.0016563600000000 ] - [ 0.0001795300000000, 0.0000000000000000, 0.0008453200000000 ] - [ -0.0002048300000000, 0.0000685100000000, -0.0001616700000000 ] - [ -0.0107599500000000, 0.0000000000000000, -0.0026478800000000 ] - [ -0.0008201200000000, -0.0000684500000000, -0.0000801000000000 ] - [ -0.0001937000000000, 0.0000000000000000, -0.0000011100000000 ] - [ -0.0002048300000000, -0.0000685100000000, -0.0001616700000000 ] - [ 0.0001636900000000, 0.0000000000000000, -0.0001656000000000 ] - [ -0.0008201200000000, 0.0000684500000000, -0.0000801000000000 ] - [ -0.0000649900000000, 0.0000000000000000, -0.0000769800000000 ] - [ -0.0000279200000000, -0.0000576700000000, -0.0000933500000000 ] - [ -0.0001573200000000, 0.0000000000000000, 0.0000077000000000 ] - [ -0.0000183000000000, 0.0001066500000000, 0.0000147800000000 ] - [ 0.0000867700000000, 0.0000000000000000, -0.0000538500000000 ] - [ -0.0000032500000000, 0.0000615600000000, -0.0000973900000000 ] - [ -0.0000030700000000, 0.0000000000000000, -0.0000080600000000 ] - [ 0.0000220900000000, -0.0001086200000000, -0.0000401200000000 ] - [ -0.0001200800000000, 0.0000000000000000, 0.0000137600000000 ] - [ 0.0001076000000000, -0.0000096600000000, -0.0000995800000000 ] - [ -0.0000689800000000, 0.0000000000000000, -0.0001214400000000 ] - [ 0.0000626200000000, 0.0000061800000000, 0.0001085700000000 ] - [ 0.0006211500000000, 0.0000000000000000, 0.0000461300000000 ] - [ -0.0001890800000000, -0.0000278100000000, -0.0000412700000000 ] - [ 0.0000693100000000, 0.0000000000000000, 0.0001826400000000 ] - [ 0.0000626200000000, -0.0000061800000000, 0.0001085700000000 ] - [ 0.0009881900000000, 0.0000000000000000, -0.0002933900000000 ] - [ 0.0021841700000000, -0.0002267900000000, 0.0008521300000000 ] - [ 0.0001318100000000, 0.0000000000000000, 0.0001809900000000 ] - [ -0.0000765600000000, -0.0001304300000000, -0.0007345100000000 ] - [ 0.0052410300000000, 0.0000000000000000, 0.0013344400000000 ] - [ 0.0021841700000000, 0.0002267900000000, 0.0008521300000000 ] - [ -0.0001197800000000, 0.0000000000000000, 0.0034637700000000 ] - [ 0.0004073700000000, -0.0001843000000000, 0.0007829100000000 ] - [ -0.0396440100000000, 0.0000000000000000, 0.0106057200000000 ] - [ 0.0026321500000000, 0.0000000000000000, -0.0042589500000000 ] - [ 0.0052917400000000, 0.0018289100000000, 0.0001500300000000 ] - [ 0.0052917400000000, -0.0018289100000000, 0.0001500300000000 ] - [ 0.0016016200000000, 0.0014840400000000, 0.0034957800000000 ] - [ 0.0002114700000000, 0.0000000000000000, 0.0012123500000000 ] - [ 0.0011711300000000, -0.0009086200000000, -0.0031943600000000 ] - [ 0.0035635000000000, 0.0000000000000000, -0.0000210000000000 ] - [ -0.0007493600000000, 0.0000000000000000, -0.0002290900000000 ] - [ 0.0000935700000000, -0.0000554000000000, 0.0001964600000000 ] - [ 0.0022086600000000, 0.0000000000000000, 0.0001181700000000 ] - [ 0.0007706600000000, -0.0000018800000000, -0.0002408100000000 ] - [ -0.0001106100000000, 0.0000000000000000, 0.0000735700000000 ] - [ 0.0000935700000000, 0.0000554000000000, 0.0001964600000000 ] - [ -0.0002465700000000, 0.0000000000000000, 0.0000904000000000 ] - [ 0.0007706600000000, 0.0000018800000000, -0.0002408100000000 ] - [ 0.0000074000000000, 0.0000000000000000, -0.0000342000000000 ] - [ -0.0000032500000000, -0.0000615600000000, -0.0000973900000000 ] - [ 0.0000600700000000, 0.0000000000000000, -0.0001605700000000 ] - [ 0.0000220900000000, 0.0001086200000000, -0.0000401200000000 ] - [ 0.0000348400000000, 0.0000000000000000, 0.0000003100000000 ] - [ -0.0000279200000000, 0.0000576700000000, -0.0000933500000000 ] - [ -0.0000290900000000, 0.0000000000000000, 0.0000031200000000 ] - [ -0.0000183000000000, -0.0001066500000000, 0.0000147800000000 ] - [ -0.0000405200000000, 0.0000000000000000, -0.0000386500000000 ] - [ -0.0001890800000000, 0.0000278100000000, -0.0000412700000000 ] - [ -0.0000904400000000, 0.0000000000000000, -0.0001123600000000 ] - [ -0.0000013900000000, -0.0000145800000000, 0.0000429900000000 ] - [ -0.0004691600000000, 0.0000000000000000, -0.0001759900000000 ] - [ 0.0001076000000000, 0.0000096600000000, -0.0000995800000000 ] - [ -0.0000456700000000, 0.0000000000000000, -0.0001230500000000 ] - [ -0.0000013900000000, 0.0000145800000000, 0.0000429900000000 ] - [ -0.0008489100000000, 0.0000000000000000, -0.0000705400000000 ] - [ -0.0034620200000000, -0.0009518500000000, -0.0020279000000000 ] - [ -0.0000525700000000, 0.0000000000000000, -0.0002262900000000 ] - [ 0.0004073700000000, 0.0001843000000000, 0.0007829100000000 ] - [ -0.0022999000000000, 0.0000000000000000, -0.0003484400000000 ] - [ -0.0034620200000000, 0.0009518500000000, -0.0020279000000000 ] - [ 0.0012470300000000, 0.0000000000000000, -0.0012920800000000 ] - [ -0.0000765600000000, 0.0001304300000000, -0.0007345100000000 ] - [ 0.0041946800000000, 0.0000000000000000, 0.0007199800000000 ] - [ 0.0000772300000000, 0.0000000000000000, 0.0038762000000000 ] - [ -0.0149303300000000, -0.0110191600000000, -0.0038938800000000 ] - [ -0.0149303300000000, 0.0110191600000000, -0.0038938800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011641400000000, -0.0908772400000000, -0.0009598300000000 ] - [ -0.0000807800000000, 0.0009227400000000, -0.0000143300000000 ] - [ -0.0000599100000000, 0.0000100100000000, -0.0000097700000000 ] - [ -0.0000992900000000, 0.0001305600000000, 0.0000448200000000 ] - [ -0.0000076800000000, 0.0000010200000000, -0.0000160600000000 ] - [ 0.0000353000000000, 0.0000024000000000, -0.0000024700000000 ] - [ 0.0000228600000000, 0.0000429200000000, 0.0000198200000000 ] - [ 0.0000014300000000, 0.0000059900000000, -0.0000286900000000 ] - [ -0.0000255200000000, 0.0001875600000000, -0.0000360400000000 ] - [ 0.0001211900000000, 0.0000620500000000, -0.0000217800000000 ] - [ 0.0000307500000000, -0.0003652400000000, -0.0000772000000000 ] - [ -0.0000728900000000, -0.0004105200000000, -0.0000084100000000 ] - [ -0.0000589000000000, 0.0000051300000000, -0.0000096300000000 ] - [ -0.0001003700000000, 0.0000667400000000, 0.0000427800000000 ] - [ -0.0000065900000000, 0.0000008200000000, -0.0000150100000000 ] - [ 0.0000350300000000, 0.0000013000000000, -0.0000027500000000 ] - [ 0.0000216000000000, 0.0000506900000000, 0.0000197200000000 ] - [ 0.0000020800000000, 0.0000048000000000, -0.0000293200000000 ] - [ -0.0000026700000000, 0.0102036800000000, -0.0000045200000000 ] - [ 0.0001220500000000, 0.0006857500000000, -0.0000197500000000 ] - [ 0.0000114800000000, 0.0076087500000000, -0.0000494400000000 ] - [ 0.0001480200000000, 0.0186528600000000, 0.0000134600000000 ] - [ -0.0005020000000000, 0.0002105500000000, -0.0035237400000000 ] - [ -0.0001578200000000, -0.0000254600000000, 0.0000592200000000 ] - [ 0.0005478100000000, 0.0005704100000000, 0.0034673500000000 ] - [ -0.0000379600000000, 0.0000904200000000, -0.0000156300000000 ] - [ 0.0000006000000000, -0.0000043400000000, 0.0000214700000000 ] - [ -0.0000459000000000, -0.0000006200000000, 0.0000257800000000 ] - [ -0.0000239700000000, -0.0000905300000000, 0.0000084500000000 ] - [ 0.0000507200000000, -0.0000145500000000, -0.0000636600000000 ] - [ -0.0001685200000000, -0.0003243000000000, 0.0000016600000000 ] - [ 0.0000218300000000, -0.0000417100000000, -0.0000127900000000 ] - [ 0.0000226300000000, 0.0000411900000000, -0.0000114300000000 ] - [ -0.0000624400000000, -0.0000031600000000, 0.0000313700000000 ] - [ 0.0000911100000000, -0.0000185100000000, -0.0000421900000000 ] - [ -0.0000442200000000, 0.0000179900000000, -0.0000068500000000 ] - [ 0.0001787200000000, 0.0000111000000000, 0.0000059200000000 ] - [ -0.0031946600000000, 0.0003292800000000, 0.0007471900000000 ] - [ 0.0068349200000000, 0.0002325600000000, 0.0049498600000000 ] - [ 0.0000464200000000, -0.0001810500000000, -0.0000130300000000 ] - [ 0.0000448500000000, -0.0030244000000000, -0.0000106200000000 ] - [ 0.0001003800000000, -0.0006771600000000, 0.0000100300000000 ] - [ 0.0002951300000000, -0.0001312200000000, 0.0002212800000000 ] - [ -0.0001569500000000, 0.0000306700000000, 0.0000602400000000 ] - [ -0.0002624200000000, 0.0001746400000000, -0.0002534500000000 ] - [ -0.0000456800000000, 0.0000896300000000, -0.0000296200000000 ] - [ 0.0000009200000000, -0.0000020100000000, 0.0000217300000000 ] - [ -0.0000457700000000, 0.0000003800000000, 0.0000259400000000 ] - [ -0.0000317100000000, -0.0000898600000000, -0.0000058700000000 ] - [ 0.0000509700000000, -0.0000116100000000, -0.0000637900000000 ] - [ -0.0001711800000000, -0.0002441900000000, 0.0000037900000000 ] - [ 0.0000209800000000, -0.0000416200000000, -0.0000128300000000 ] - [ 0.0000232700000000, 0.0000412500000000, -0.0000112400000000 ] - [ -0.0000624000000000, -0.0000057500000000, 0.0000310300000000 ] - [ 0.0000860600000000, -0.0000163600000000, -0.0000849000000000 ] - [ -0.0000393300000000, -0.0023305400000000, -0.0000162800000000 ] - [ 0.0001854700000000, 0.0000131500000000, 0.0000497400000000 ] - [ -0.0067857500000000, 0.0002399700000000, -0.0050300200000000 ] - [ 0.0032170100000000, 0.0003628300000000, -0.0008086600000000 ] - [ 0.0000486200000000, -0.0002704600000000, -0.0000137800000000 ] - [ -0.0012796300000000, 0.0001625200000000, 0.0023382200000000 ] - [ -0.0001023800000000, -0.0002749600000000, 0.0001503400000000 ] - [ 0.0009047400000000, -0.0003784100000000, 0.0004475500000000 ] - [ -0.0000385600000000, -0.0039015800000000, 0.0000166000000000 ] - [ -0.0000840700000000, -0.0001257300000000, -0.0000356000000000 ] - [ -0.0000746000000000, -0.0000216200000000, 0.0000711200000000 ] - [ 0.0000842400000000, 0.0097329000000000, -0.0000415000000000 ] - [ 0.0003664600000000, 0.0002399000000000, 0.0005500900000000 ] - [ -0.0001518600000000, -0.0000008200000000, 0.0000814100000000 ] - [ -0.0000514400000000, 0.0000070500000000, 0.0000188400000000 ] - [ -0.0000453300000000, -0.0000091800000000, 0.0000117600000000 ] - [ -0.0004771700000000, 0.0002442200000000, -0.0005732600000000 ] - [ -0.0000339000000000, 0.0000008700000000, -0.0000302400000000 ] - [ -0.0000097700000000, -0.0000642000000000, -0.0000667000000000 ] - [ -0.0000233900000000, 0.0000596900000000, -0.0000543600000000 ] - [ 0.0000123500000000, 0.0001118500000000, 0.0000248200000000 ] - [ 0.0000641000000000, 0.0000007400000000, 0.0000152900000000 ] - [ -0.0000093600000000, 0.0000638100000000, -0.0000678500000000 ] - [ -0.0000177000000000, -0.0000001000000000, 0.0000268900000000 ] - [ 0.0000104400000000, -0.0001105400000000, 0.0000152100000000 ] - [ -0.0000856500000000, -0.0000002800000000, 0.0000183100000000 ] - [ -0.0000193500000000, 0.0000131500000000, -0.0000438400000000 ] - [ -0.0000805900000000, -0.0000001400000000, -0.0000810500000000 ] - [ 0.0000358900000000, -0.0000009700000000, 0.0001008200000000 ] - [ 0.0001327800000000, 0.0000058200000000, -0.0000287200000000 ] - [ -0.0000291800000000, -0.0000128300000000, -0.0000233800000000 ] - [ 0.0000121800000000, 0.0000180200000000, 0.0000419500000000 ] - [ 0.0000367200000000, -0.0000003700000000, 0.0001045700000000 ] - [ 0.0000403500000000, -0.0000057000000000, 0.0000101400000000 ] - [ -0.0000296000000000, 0.0000263700000000, -0.0000630500000000 ] - [ 0.0000243900000000, -0.0000252500000000, 0.0000191800000000 ] - [ 0.0001852300000000, 0.0000546500000000, -0.0001676400000000 ] - [ -0.0000176600000000, 0.0030483000000000, 0.0001255500000000 ] - [ 0.0000699900000000, -0.0000131200000000, 0.0000673500000000 ] - [ 0.0001647000000000, 0.0028970900000000, -0.0000400300000000 ] - [ 0.0002008700000000, -0.0001042400000000, 0.0001151600000000 ] - [ 0.0000891200000000, 0.0082393500000000, 0.0000780800000000 ] - [ 0.0000145800000000, -0.0001010500000000, -0.0000026400000000 ] - [ 0.0005637100000000, 0.0001460900000000, 0.0002432800000000 ] - [ -0.0004621800000000, 0.0000992300000000, -0.0001867100000000 ] - [ -0.0009487200000000, -0.0001208200000000, -0.0004604100000000 ] - [ -0.0000994100000000, 0.0001978300000000, 0.0001467400000000 ] - [ 0.0012224300000000, -0.0001218000000000, -0.0023459400000000 ] - [ -0.0000258400000000, 0.0002395400000000, -0.0000133500000000 ] - [ -0.0000775600000000, -0.0000732600000000, -0.0000431000000000 ] - [ -0.0000784000000000, -0.0000125300000000, 0.0000519800000000 ] - [ 0.0000758200000000, -0.0002980200000000, -0.0001274800000000 ] - [ -0.0002007900000000, -0.0000058400000000, 0.0001594000000000 ] - [ -0.0001515200000000, 0.0000004800000000, 0.0000816700000000 ] - [ -0.0000470100000000, 0.0000148000000000, 0.0000386500000000 ] - [ -0.0000452300000000, -0.0000516200000000, 0.0000112900000000 ] - [ 0.0000940900000000, -0.0000136000000000, -0.0001775900000000 ] - [ -0.0000336800000000, -0.0000003900000000, -0.0000300700000000 ] - [ -0.0000098400000000, -0.0000639200000000, -0.0000669900000000 ] - [ -0.0000228700000000, 0.0000119700000000, -0.0000543900000000 ] - [ 0.0000083200000000, 0.0001107300000000, 0.0000214900000000 ] - [ 0.0000642500000000, 0.0000003500000000, 0.0000160500000000 ] - [ -0.0000092500000000, 0.0000637000000000, -0.0000679200000000 ] - [ -0.0000170600000000, -0.0000008500000000, 0.0000269100000000 ] - [ 0.0000066500000000, -0.0001094900000000, 0.0000117800000000 ] - [ -0.0000869300000000, -0.0000010400000000, 0.0000182900000000 ] - [ -0.0000246700000000, 0.0000141300000000, -0.0000445700000000 ] - [ -0.0000801600000000, 0.0000007400000000, -0.0000809500000000 ] - [ 0.0000370200000000, 0.0000001500000000, 0.0001017200000000 ] - [ 0.0001313700000000, 0.0000730700000000, -0.0000291200000000 ] - [ -0.0000334600000000, -0.0000129800000000, -0.0000236900000000 ] - [ 0.0000117000000000, 0.0000133200000000, 0.0000414700000000 ] - [ 0.0000371700000000, -0.0000006400000000, 0.0001037300000000 ] - [ 0.0000391000000000, -0.0000786100000000, 0.0000100800000000 ] - [ 0.0013539300000000, -0.0002395000000000, -0.0014897700000000 ] - [ 0.0000243800000000, -0.0000162600000000, 0.0000175400000000 ] - [ 0.0000212000000000, 0.0000117000000000, -0.0001560400000000 ] - [ 0.0000169900000000, -0.0040993600000000, 0.0001062500000000 ] - [ -0.0013126600000000, -0.0002890200000000, 0.0014811000000000 ] - [ 0.0001699400000000, -0.0001956200000000, -0.0000421200000000 ] - [ 0.0000375800000000, -0.0000613500000000, 0.0001236900000000 ] - [ -0.0000034100000000, -0.0044978500000000, 0.0001073300000000 ] - [ 0.0000168600000000, -0.0036091700000000, 0.0000016800000000 ] - [ 0.0090256200000000, 0.0265084800000000, 0.0088752600000000 ] - [ -0.0078781900000000, 0.0247926100000000, -0.0080338300000000 ]- atom: 1 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0126018900000000, 0.0000000000000000, -0.0908490100000000 ] - [ -0.0008231100000000, 0.0000000000000000, -0.0004513000000000 ] - [ -0.0001995300000000, 0.0000000000000000, 0.0010212900000000 ] - [ -0.0000191400000000, 0.0000000000000000, 0.0021325600000000 ] - [ 0.0000077300000000, 0.0000000000000000, 0.0009050800000000 ] - [ 0.0000974700000000, 0.0000000000000000, 0.0010845700000000 ] - [ 0.0001990800000000, 0.0000000000000000, 0.0010780400000000 ] - [ 0.0000569300000000, 0.0000000000000000, 0.0009914600000000 ] - [ 0.0004146900000000, 0.0000000000000000, -0.0009179200000000 ] - [ 0.0013290900000000, 0.0000000000000000, 0.0011569100000000 ] - [ 0.0008331500000000, 0.0000000000000000, -0.0032117500000000 ] - [ 0.0062047200000000, 0.0000000000000000, 0.0040512100000000 ] - [ 0.0002236800000000, 0.0000000000000000, 0.0008268700000000 ] - [ 0.0000014000000000, 0.0000000000000000, 0.0005545600000000 ] - [ 0.0000021500000000, 0.0000000000000000, 0.0008928100000000 ] - [ 0.0000472200000000, 0.0000000000000000, 0.0010281000000000 ] - [ -0.0000871700000000, 0.0000000000000000, 0.0008505000000000 ] - [ 0.0000218900000000, 0.0000000000000000, 0.0010728300000000 ] - [ -0.0011082000000000, 0.0000000000000000, 0.0012244400000000 ] - [ -0.0009175400000000, 0.0000000000000000, 0.0015873400000000 ] - [ 0.0035968600000000, 0.0000000000000000, -0.0061708700000000 ] - [ -0.0000590500000000, 0.0000000000000000, -0.0141976200000000 ] - [ -0.0054238000000000, -0.0083483000000000, 0.0070283000000000 ] - [ -0.0007853300000000, 0.0000000000000000, 0.0015938800000000 ] - [ -0.0054238000000000, 0.0083483000000000, 0.0070283000000000 ] - [ -0.0001233400000000, -0.0000410600000000, 0.0012286600000000 ] - [ -0.0000157300000000, 0.0000000000000000, 0.0015215100000000 ] - [ -0.0001030200000000, 0.0000000000000000, 0.0015830900000000 ] - [ 0.0000238400000000, 0.0000926900000000, 0.0016638600000000 ] - [ -0.0000900400000000, 0.0000000000000000, 0.0014075900000000 ] - [ 0.0015544700000000, 0.0000000000000000, 0.0013021800000000 ] - [ 0.0000678900000000, -0.0001193600000000, 0.0014411600000000 ] - [ 0.0000411100000000, 0.0001092700000000, 0.0014017700000000 ] - [ -0.0002175800000000, 0.0000000000000000, 0.0015650800000000 ] - [ 0.0004037100000000, -0.0000694400000000, 0.0012541800000000 ] - [ 0.0002326300000000, 0.0000000000000000, 0.0005604500000000 ] - [ 0.0004037100000000, 0.0000694400000000, 0.0012541800000000 ] - [ -0.0042602400000000, 0.0016421800000000, -0.0012218400000000 ] - [ 0.0061425300000000, 0.0025047700000000, 0.0013356400000000 ] - [ -0.0004718700000000, 0.0000000000000000, 0.0007554700000000 ] - [ -0.0031337200000000, 0.0000000000000000, -0.0069217600000000 ] - [ 0.0020602900000000, 0.0000000000000000, -0.0076280900000000 ] - [ 0.0009165900000000, -0.0004762000000000, -0.0011359900000000 ] - [ 0.0003494300000000, 0.0000000000000000, 0.0008955600000000 ] - [ 0.0009165900000000, 0.0004762000000000, -0.0011359900000000 ] - [ 0.0000238400000000, -0.0000926900000000, 0.0016638600000000 ] - [ -0.0000729100000000, 0.0000000000000000, 0.0015448300000000 ] - [ -0.0000817700000000, 0.0000000000000000, 0.0014666200000000 ] - [ -0.0001233400000000, 0.0000410600000000, 0.0012286600000000 ] - [ 0.0000933200000000, 0.0000000000000000, 0.0015034300000000 ] - [ -0.0022775500000000, 0.0000000000000000, 0.0008001800000000 ] - [ 0.0000411100000000, -0.0001092700000000, 0.0014017700000000 ] - [ 0.0000678900000000, 0.0001193600000000, 0.0014411600000000 ] - [ -0.0000005600000000, 0.0000000000000000, 0.0015113900000000 ] - [ -0.0000905600000000, -0.0001867900000000, 0.0016615600000000 ] - [ -0.0007437300000000, 0.0000000000000000, 0.0087932400000000 ] - [ -0.0000905600000000, 0.0001867900000000, 0.0016615600000000 ] - [ 0.0061425300000000, -0.0025047700000000, 0.0013356400000000 ] - [ -0.0042602400000000, -0.0016421800000000, -0.0012218400000000 ] - [ 0.0003774000000000, 0.0000000000000000, 0.0016926300000000 ] - [ 0.0031996900000000, 0.0020760800000000, 0.0040341100000000 ] - [ 0.0006590900000000, 0.0000000000000000, -0.0001369400000000 ] - [ -0.0032232700000000, 0.0003752100000000, 0.0021065500000000 ] - [ 0.0014774200000000, 0.0000000000000000, 0.0044011100000000 ] - [ -0.0010546100000000, 0.0000000000000000, 0.0001746500000000 ] - [ -0.0000478600000000, -0.0000208700000000, -0.0010755600000000 ] - [ 0.0045505600000000, 0.0000000000000000, 0.0335832100000000 ] - [ -0.0020132800000000, -0.0017392800000000, -0.0030078900000000 ] - [ -0.0000907800000000, 0.0000000000000000, -0.0012421800000000 ] - [ -0.0000478600000000, 0.0000208700000000, -0.0010755600000000 ] - [ 0.0003159000000000, 0.0000000000000000, -0.0006555800000000 ] - [ -0.0020132800000000, 0.0017392800000000, -0.0030078900000000 ] - [ 0.0001751400000000, 0.0000000000000000, -0.0010372100000000 ] - [ -0.0001371000000000, 0.0000335300000000, -0.0009645400000000 ] - [ -0.0002531300000000, 0.0000000000000000, -0.0018192800000000 ] - [ -0.0002100300000000, -0.0000190900000000, -0.0009056000000000 ] - [ 0.0001322500000000, 0.0000000000000000, -0.0012115600000000 ] - [ -0.0001090100000000, -0.0000217700000000, -0.0009146400000000 ] - [ 0.0001642300000000, 0.0000000000000000, -0.0008802300000000 ] - [ -0.0000244600000000, -0.0000125600000000, -0.0008329300000000 ] - [ 0.0000650500000000, 0.0000000000000000, -0.0009058500000000 ] - [ -0.0000894700000000, 0.0000874800000000, -0.0008327100000000 ] - [ -0.0000077900000000, 0.0000000000000000, -0.0013244900000000 ] - [ -0.0000844400000000, -0.0000971400000000, -0.0007629300000000 ] - [ 0.0001057700000000, 0.0000000000000000, -0.0008351300000000 ] - [ -0.0001984200000000, -0.0001369600000000, -0.0010147500000000 ] - [ 0.0000727400000000, 0.0000000000000000, -0.0008439400000000 ] - [ -0.0000844400000000, 0.0000971400000000, -0.0007629300000000 ] - [ 0.0000361300000000, 0.0000000000000000, -0.0005792600000000 ] - [ -0.0007686100000000, 0.0001215400000000, -0.0000243700000000 ] - [ 0.0000039200000000, 0.0000000000000000, -0.0012037800000000 ] - [ 0.0004120200000000, 0.0000371800000000, -0.0008274400000000 ] - [ -0.0023584400000000, 0.0000000000000000, 0.0035230800000000 ] - [ -0.0007686100000000, -0.0001215400000000, -0.0000243700000000 ] - [ -0.0023574100000000, 0.0000000000000000, -0.0022091300000000 ] - [ -0.0003098200000000, -0.0000533500000000, -0.0010381400000000 ] - [ -0.0045421900000000, 0.0000000000000000, 0.0132898600000000 ] - [ 0.0005227500000000, 0.0000000000000000, 0.0004799300000000 ] - [ 0.0006466400000000, 0.0005353300000000, 0.0019699300000000 ] - [ 0.0006466400000000, -0.0005353300000000, 0.0019699300000000 ] - [ -0.0032232700000000, -0.0003752100000000, 0.0021065500000000 ] - [ -0.0008901700000000, 0.0000000000000000, 0.0001418800000000 ] - [ 0.0031996900000000, -0.0020760800000000, 0.0040341100000000 ] - [ -0.0004641600000000, 0.0000000000000000, 0.0020220200000000 ] - [ 0.0033787200000000, 0.0000000000000000, -0.0036531700000000 ] - [ -0.0002297200000000, 0.0000502700000000, -0.0005043000000000 ] - [ -0.0001570400000000, 0.0000000000000000, 0.0018496600000000 ] - [ 0.0004543200000000, 0.0001397200000000, 0.0002388200000000 ] - [ -0.0001093300000000, 0.0000000000000000, -0.0010362400000000 ] - [ -0.0002297200000000, -0.0000502700000000, -0.0005043000000000 ] - [ -0.0002400900000000, 0.0000000000000000, -0.0010346300000000 ] - [ 0.0004543200000000, -0.0001397200000000, 0.0002388200000000 ] - [ 0.0001382400000000, 0.0000000000000000, -0.0008712400000000 ] - [ -0.0001090100000000, 0.0000217700000000, -0.0009146400000000 ] - [ 0.0003891100000000, 0.0000000000000000, -0.0012809100000000 ] - [ -0.0000244600000000, 0.0000125600000000, -0.0008329300000000 ] - [ 0.0001004900000000, 0.0000000000000000, -0.0012698500000000 ] - [ -0.0001371000000000, -0.0000335300000000, -0.0009645400000000 ] - [ 0.0001205100000000, 0.0000000000000000, -0.0008801900000000 ] - [ -0.0002100300000000, 0.0000190900000000, -0.0009056000000000 ] - [ 0.0000971200000000, 0.0000000000000000, -0.0008713900000000 ] - [ -0.0001984200000000, 0.0001369600000000, -0.0010147500000000 ] - [ -0.0000374200000000, 0.0000000000000000, -0.0013387900000000 ] - [ -0.0000720400000000, -0.0000968100000000, -0.0007839300000000 ] - [ 0.0002504400000000, 0.0000000000000000, -0.0021418400000000 ] - [ -0.0000894700000000, -0.0000874800000000, -0.0008327100000000 ] - [ 0.0002913300000000, 0.0000000000000000, -0.0009348000000000 ] - [ -0.0000720400000000, 0.0000968100000000, -0.0007839300000000 ] - [ 0.0001634300000000, 0.0000000000000000, -0.0011993400000000 ] - [ 0.0020398400000000, -0.0012405300000000, -0.0015829600000000 ] - [ 0.0001537800000000, 0.0000000000000000, -0.0012285700000000 ] - [ -0.0003098200000000, 0.0000533500000000, -0.0010381400000000 ] - [ 0.0013531200000000, 0.0000000000000000, 0.0043905800000000 ] - [ 0.0020398400000000, 0.0012405300000000, -0.0015829600000000 ] - [ 0.0009098300000000, 0.0000000000000000, 0.0003140000000000 ] - [ 0.0004120200000000, -0.0000371800000000, -0.0008274400000000 ] - [ -0.0035104200000000, 0.0000000000000000, 0.0020350400000000 ] - [ -0.0006633800000000, 0.0000000000000000, -0.0010516700000000 ] - [ 0.0066748600000000, 0.0113067100000000, 0.0164983900000000 ] - [ 0.0066748600000000, -0.0113067100000000, 0.0164983900000000 ]- atom: 1 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0123676200000000, 0.0000000000000000, 0.0936947500000000 ] - [ 0.0006714000000000, 0.0000000000000000, 0.0004187000000000 ] - [ 0.0000818400000000, 0.0000000000000000, -0.0010362000000000 ] - [ -0.0001794500000000, 0.0000000000000000, -0.0020416500000000 ] - [ -0.0000223700000000, 0.0000000000000000, -0.0009317600000000 ] - [ -0.0000272500000000, 0.0000000000000000, -0.0010886700000000 ] - [ -0.0001522900000000, 0.0000000000000000, -0.0010350600000000 ] - [ -0.0000539800000000, 0.0000000000000000, -0.0010488500000000 ] - [ -0.0004573600000000, 0.0000000000000000, 0.0008336800000000 ] - [ -0.0010712800000000, 0.0000000000000000, -0.0011933400000000 ] - [ -0.0007726500000000, 0.0000000000000000, 0.0030678200000000 ] - [ -0.0063733200000000, 0.0000000000000000, -0.0041375300000000 ] - [ -0.0003410400000000, 0.0000000000000000, -0.0008416700000000 ] - [ -0.0002003800000000, 0.0000000000000000, -0.0004636500000000 ] - [ -0.0000168200000000, 0.0000000000000000, -0.0009194200000000 ] - [ 0.0000227200000000, 0.0000000000000000, -0.0010321700000000 ] - [ 0.0001291200000000, 0.0000000000000000, -0.0008092900000000 ] - [ -0.0000190800000000, 0.0000000000000000, -0.0011292900000000 ] - [ 0.0010826800000000, 0.0000000000000000, -0.0013407100000000 ] - [ 0.0011497400000000, 0.0000000000000000, -0.0016170500000000 ] - [ -0.0034810200000000, 0.0000000000000000, 0.0061818100000000 ] - [ 0.0002074000000000, 0.0000000000000000, 0.0142565800000000 ] - [ 0.0054806000000000, 0.0080713000000000, -0.0071219200000000 ] - [ 0.0004705400000000, 0.0000000000000000, -0.0014697500000000 ] - [ 0.0054806000000000, -0.0080713000000000, -0.0071219200000000 ] - [ 0.0000528000000000, 0.0002205400000000, -0.0012451500000000 ] - [ 0.0000185100000000, 0.0000000000000000, -0.0014733000000000 ] - [ 0.0000102200000000, 0.0000000000000000, -0.0015279900000000 ] - [ -0.0000946200000000, -0.0002720500000000, -0.0016802800000000 ] - [ 0.0001903900000000, 0.0000000000000000, -0.0015301900000000 ] - [ -0.0018909800000000, 0.0000000000000000, -0.0012918800000000 ] - [ -0.0000230300000000, 0.0000366600000000, -0.0014592800000000 ] - [ 0.0000035400000000, -0.0000267000000000, -0.0014202300000000 ] - [ 0.0000947100000000, 0.0000000000000000, -0.0014976700000000 ] - [ -0.0001309900000000, 0.0000413300000000, -0.0012888300000000 ] - [ -0.0003180900000000, 0.0000000000000000, -0.0005792400000000 ] - [ -0.0001309900000000, -0.0000413300000000, -0.0012888300000000 ] - [ 0.0042894400000000, -0.0016277300000000, 0.0010880000000000 ] - [ -0.0060664500000000, -0.0024837300000000, -0.0014601900000000 ] - [ 0.0005623300000000, 0.0000000000000000, -0.0007811600000000 ] - [ 0.0032322100000000, 0.0000000000000000, 0.0069215000000000 ] - [ -0.0018927100000000, 0.0000000000000000, 0.0076649900000000 ] - [ -0.0008865100000000, 0.0001777800000000, 0.0011112000000000 ] - [ -0.0006641600000000, 0.0000000000000000, -0.0007709800000000 ] - [ -0.0008865100000000, -0.0001777800000000, 0.0011112000000000 ] - [ -0.0000946200000000, 0.0002720500000000, -0.0016802800000000 ] - [ 0.0000749200000000, 0.0000000000000000, -0.0014959400000000 ] - [ -0.0000112900000000, 0.0000000000000000, -0.0014116700000000 ] - [ 0.0000528000000000, -0.0002205400000000, -0.0012451500000000 ] - [ 0.0000095600000000, 0.0000000000000000, -0.0016256600000000 ] - [ 0.0019415600000000, 0.0000000000000000, -0.0007869400000000 ] - [ 0.0000035400000000, 0.0000267000000000, -0.0014202300000000 ] - [ -0.0000230300000000, -0.0000366600000000, -0.0014592800000000 ] - [ -0.0001222900000000, 0.0000000000000000, -0.0014442700000000 ] - [ 0.0003596700000000, 0.0001566900000000, -0.0016909300000000 ] - [ 0.0006529300000000, 0.0000000000000000, -0.0086968000000000 ] - [ 0.0003596700000000, -0.0001566900000000, -0.0016909300000000 ] - [ -0.0060664500000000, 0.0024837300000000, -0.0014601900000000 ] - [ 0.0042894400000000, 0.0016277300000000, 0.0010880000000000 ] - [ -0.0002754600000000, 0.0000000000000000, -0.0017177800000000 ] - [ -0.0032652700000000, -0.0018139000000000, -0.0040559900000000 ] - [ -0.0008628800000000, 0.0000000000000000, 0.0004267100000000 ] - [ 0.0031941500000000, -0.0006520400000000, -0.0021195400000000 ] - [ -0.0015417200000000, 0.0000000000000000, -0.0044305300000000 ] - [ 0.0009042100000000, 0.0000000000000000, -0.0002480300000000 ] - [ -0.0000776100000000, -0.0000030100000000, 0.0011663400000000 ] - [ -0.0044850400000000, 0.0000000000000000, -0.0368922600000000 ] - [ 0.0018945500000000, 0.0017288200000000, 0.0029850300000000 ] - [ -0.0002138400000000, 0.0000000000000000, 0.0014003400000000 ] - [ -0.0000776100000000, 0.0000030100000000, 0.0011663400000000 ] - [ -0.0004084700000000, 0.0000000000000000, 0.0006774300000000 ] - [ 0.0018945500000000, -0.0017288200000000, 0.0029850300000000 ] - [ -0.0002336100000000, 0.0000000000000000, 0.0009770100000000 ] - [ 0.0001184300000000, -0.0001614900000000, 0.0008304400000000 ] - [ 0.0002103400000000, 0.0000000000000000, 0.0017194900000000 ] - [ 0.0002264500000000, 0.0002362700000000, 0.0009400700000000 ] - [ -0.0000063600000000, 0.0000000000000000, 0.0012373300000000 ] - [ 0.0000905200000000, 0.0001499600000000, 0.0007806500000000 ] - [ -0.0002021600000000, 0.0000000000000000, 0.0009334300000000 ] - [ 0.0000410300000000, -0.0002046500000000, 0.0008676600000000 ] - [ -0.0002309800000000, 0.0000000000000000, 0.0009446400000000 ] - [ 0.0000366900000000, -0.0000649200000000, 0.0007661500000000 ] - [ -0.0001489200000000, 0.0000000000000000, 0.0011692600000000 ] - [ 0.0001566200000000, 0.0000933700000000, 0.0009691300000000 ] - [ 0.0001538200000000, 0.0000000000000000, 0.0007755600000000 ] - [ 0.0001439700000000, 0.0001137900000000, 0.0009463300000000 ] - [ -0.0000540300000000, 0.0000000000000000, 0.0009262100000000 ] - [ 0.0001566200000000, -0.0000933700000000, 0.0009691300000000 ] - [ 0.0000500200000000, 0.0000000000000000, 0.0006042500000000 ] - [ 0.0008015400000000, -0.0000883600000000, 0.0000354000000000 ] - [ 0.0000483800000000, 0.0000000000000000, 0.0012445900000000 ] - [ -0.0001870200000000, 0.0000729600000000, 0.0007847900000000 ] - [ 0.0023284200000000, 0.0000000000000000, -0.0032622100000000 ] - [ 0.0008015400000000, 0.0000883600000000, 0.0000354000000000 ] - [ 0.0026386400000000, 0.0000000000000000, 0.0021190000000000 ] - [ 0.0005281400000000, -0.0000589200000000, 0.0009960300000000 ] - [ 0.0045741900000000, 0.0000000000000000, -0.0131605400000000 ] - [ -0.0004840500000000, 0.0000000000000000, -0.0004742000000000 ] - [ -0.0005593700000000, -0.0004937700000000, -0.0019110000000000 ] - [ -0.0005593700000000, 0.0004937700000000, -0.0019110000000000 ] - [ 0.0031941500000000, 0.0006520400000000, -0.0021195400000000 ] - [ 0.0006898100000000, 0.0000000000000000, 0.0001483900000000 ] - [ -0.0032652700000000, 0.0018139000000000, -0.0040559900000000 ] - [ 0.0004125400000000, 0.0000000000000000, -0.0020472300000000 ] - [ -0.0035212300000000, 0.0000000000000000, 0.0035772100000000 ] - [ 0.0001042000000000, -0.0000743000000000, 0.0005948300000000 ] - [ 0.0003077300000000, 0.0000000000000000, -0.0020910600000000 ] - [ -0.0005688500000000, -0.0001434200000000, -0.0002629500000000 ] - [ -0.0001952500000000, 0.0000000000000000, 0.0011942700000000 ] - [ 0.0001042000000000, 0.0000743000000000, 0.0005948300000000 ] - [ 0.0001477900000000, 0.0000000000000000, 0.0010565600000000 ] - [ -0.0005688500000000, 0.0001434200000000, -0.0002629500000000 ] - [ -0.0001967700000000, 0.0000000000000000, 0.0008109300000000 ] - [ 0.0000905200000000, -0.0001499600000000, 0.0007806500000000 ] - [ -0.0004313500000000, 0.0000000000000000, 0.0011819500000000 ] - [ 0.0000410300000000, 0.0002046500000000, 0.0008676600000000 ] - [ 0.0000248500000000, 0.0000000000000000, 0.0012951200000000 ] - [ 0.0001184300000000, 0.0001614900000000, 0.0008304400000000 ] - [ -0.0001584800000000, 0.0000000000000000, 0.0009334000000000 ] - [ 0.0002264500000000, -0.0002362700000000, 0.0009400700000000 ] - [ -0.0002626200000000, 0.0000000000000000, 0.0009105200000000 ] - [ 0.0001439700000000, -0.0001137900000000, 0.0009463300000000 ] - [ -0.0001192400000000, 0.0000000000000000, 0.0011835100000000 ] - [ 0.0001443600000000, 0.0000928800000000, 0.0009897700000000 ] - [ 0.0000091200000000, 0.0000000000000000, 0.0020654300000000 ] - [ 0.0000366900000000, 0.0000649200000000, 0.0007661500000000 ] - [ -0.0002702800000000, 0.0000000000000000, 0.0010154200000000 ] - [ 0.0001443600000000, -0.0000928800000000, 0.0009897700000000 ] - [ -0.0000796500000000, 0.0000000000000000, 0.0012190500000000 ] - [ -0.0019784100000000, 0.0012520800000000, 0.0015802400000000 ] - [ -0.0001002500000000, 0.0000000000000000, 0.0012682600000000 ] - [ 0.0005281400000000, 0.0000589200000000, 0.0009960300000000 ] - [ -0.0013998200000000, 0.0000000000000000, -0.0041259600000000 ] - [ -0.0019784100000000, -0.0012520800000000, 0.0015802400000000 ] - [ -0.0005784400000000, 0.0000000000000000, -0.0003841600000000 ] - [ -0.0001870200000000, -0.0000729600000000, 0.0007847900000000 ] - [ 0.0035156600000000, 0.0000000000000000, -0.0018052400000000 ] - [ 0.0006982100000000, 0.0000000000000000, 0.0010659800000000 ] - [ -0.0064062600000000, -0.0109389700000000, -0.0164318100000000 ] - [ -0.0064062600000000, 0.0109389700000000, -0.0164318100000000 ]- atom: 2 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0019701500000000, 0.0000000000000000, -0.0011096400000000 ] - [ -0.1160844500000000, 0.0000000000000000, 0.0166735700000000 ] - [ -0.0017943800000000, 0.0000000000000000, 0.0005305400000000 ] - [ 0.0011135000000000, 0.0000000000000000, 0.0006918600000000 ] - [ -0.0000570300000000, 0.0000000000000000, -0.0000541000000000 ] - [ 0.0002571900000000, 0.0000000000000000, -0.0000529300000000 ] - [ 0.0000574200000000, 0.0000000000000000, -0.0001190100000000 ] - [ -0.0000307200000000, 0.0000000000000000, -0.0001303000000000 ] - [ -0.0015353700000000, 0.0000000000000000, 0.0004581600000000 ] - [ -0.0000510300000000, 0.0000000000000000, -0.0002747300000000 ] - [ -0.0014638200000000, 0.0000000000000000, 0.0065061000000000 ] - [ 0.0034458300000000, 0.0000000000000000, -0.0005706400000000 ] - [ 0.0007193700000000, 0.0000000000000000, -0.0007174700000000 ] - [ 0.0027710800000000, 0.0000000000000000, -0.0092573700000000 ] - [ 0.0000122500000000, 0.0000000000000000, -0.0001524700000000 ] - [ -0.0001722300000000, 0.0000000000000000, -0.0002484200000000 ] - [ -0.0000325600000000, 0.0000000000000000, -0.0000187300000000 ] - [ 0.0000282200000000, 0.0000000000000000, -0.0001374600000000 ] - [ 0.0009541300000000, 0.0000000000000000, -0.0007116200000000 ] - [ 0.0003145600000000, 0.0000000000000000, -0.0000279400000000 ] - [ 0.0064350600000000, 0.0000000000000000, 0.0003368200000000 ] - [ 0.0040063200000000, 0.0000000000000000, -0.0114774500000000 ] - [ 0.0148515100000000, 0.0110087300000000, -0.0011772200000000 ] - [ -0.0023935900000000, 0.0000000000000000, 0.0100214400000000 ] - [ 0.0148515100000000, -0.0110087300000000, -0.0011772200000000 ] - [ -0.0006320100000000, 0.0010497800000000, -0.0013250300000000 ] - [ -0.0000071000000000, 0.0000000000000000, -0.0001139200000000 ] - [ -0.0000928000000000, 0.0000000000000000, 0.0002906400000000 ] - [ 0.0014094300000000, -0.0001823500000000, 0.0006384600000000 ] - [ 0.0000375000000000, 0.0000000000000000, -0.0001950000000000 ] - [ 0.0063181300000000, 0.0000000000000000, -0.0002154400000000 ] - [ 0.0001333500000000, -0.0000223200000000, -0.0001436600000000 ] - [ -0.0000696700000000, 0.0000113500000000, -0.0001610600000000 ] - [ -0.0006130500000000, 0.0000000000000000, 0.0002360000000000 ] - [ 0.0000419200000000, 0.0000118600000000, -0.0001778800000000 ] - [ -0.0006781600000000, 0.0000000000000000, 0.0000962700000000 ] - [ 0.0000419200000000, -0.0000118600000000, -0.0001778800000000 ] - [ 0.0010808400000000, 0.0001725500000000, 0.0008086100000000 ] - [ -0.0005113000000000, -0.0004016700000000, -0.0014336900000000 ] - [ -0.0000208700000000, 0.0000000000000000, 0.0002400200000000 ] - [ -0.0108826000000000, 0.0000000000000000, 0.0002310200000000 ] - [ 0.0018351200000000, 0.0000000000000000, 0.0021626100000000 ] - [ 0.0188122600000000, 0.0141774800000000, -0.0016471400000000 ] - [ 0.0024764600000000, 0.0000000000000000, -0.0020972800000000 ] - [ 0.0188122600000000, -0.0141774800000000, -0.0016471400000000 ] - [ 0.0014094300000000, 0.0001823500000000, 0.0006384600000000 ] - [ 0.0000165500000000, 0.0000000000000000, -0.0001278500000000 ] - [ 0.0000158300000000, 0.0000000000000000, -0.0003664100000000 ] - [ -0.0006320100000000, -0.0010497800000000, -0.0013250300000000 ] - [ 0.0000748200000000, 0.0000000000000000, -0.0002132500000000 ] - [ -0.0113589000000000, 0.0000000000000000, -0.0005357400000000 ] - [ -0.0000696700000000, -0.0000113500000000, -0.0001610600000000 ] - [ 0.0001333500000000, 0.0000223200000000, -0.0001436600000000 ] - [ 0.0004510900000000, 0.0000000000000000, -0.0003893000000000 ] - [ 0.0002392300000000, -0.0000061000000000, -0.0001404600000000 ] - [ 0.0005438100000000, 0.0000000000000000, -0.0003818800000000 ] - [ 0.0002392300000000, 0.0000061000000000, -0.0001404600000000 ] - [ -0.0005113000000000, 0.0004016700000000, -0.0014336900000000 ] - [ 0.0010808400000000, -0.0001725500000000, 0.0008086100000000 ] - [ 0.0001277500000000, 0.0000000000000000, -0.0004653700000000 ] - [ 0.0108050700000000, 0.0032165400000000, -0.0021536000000000 ] - [ 0.0122283000000000, 0.0000000000000000, 0.0031441400000000 ] - [ -0.0040229800000000, 0.0005413300000000, -0.0010824600000000 ] - [ -0.0047974700000000, 0.0000000000000000, 0.0023122600000000 ] - [ -0.0055184400000000, 0.0000000000000000, 0.0029796000000000 ] - [ -0.0008342100000000, 0.0013544500000000, -0.0023155400000000 ] - [ -0.0024909800000000, 0.0000000000000000, 0.0000657600000000 ] - [ -0.0039322900000000, 0.0004921500000000, -0.0007903100000000 ] - [ -0.0003513100000000, 0.0000000000000000, -0.0006692700000000 ] - [ -0.0008342100000000, -0.0013544500000000, -0.0023155400000000 ] - [ 0.0030826400000000, 0.0000000000000000, -0.0001024200000000 ] - [ -0.0039322900000000, -0.0004921500000000, -0.0007903100000000 ] - [ -0.0001355500000000, 0.0000000000000000, -0.0004165100000000 ] - [ -0.0000903000000000, -0.0000305400000000, -0.0001100700000000 ] - [ -0.0013654000000000, 0.0000000000000000, 0.0001707100000000 ] - [ -0.0004138600000000, 0.0000881300000000, 0.0001463900000000 ] - [ 0.0000822200000000, 0.0000000000000000, 0.0001485400000000 ] - [ 0.0000667500000000, 0.0000861300000000, 0.0001207200000000 ] - [ 0.0001113100000000, 0.0000000000000000, 0.0000522000000000 ] - [ 0.0005956600000000, -0.0003334500000000, 0.0002513500000000 ] - [ -0.0001266800000000, 0.0000000000000000, 0.0000966300000000 ] - [ 0.0000106400000000, -0.0000024400000000, 0.0000446000000000 ] - [ 0.0000041700000000, 0.0000000000000000, 0.0000449500000000 ] - [ 0.0000702900000000, 0.0000123000000000, 0.0001798500000000 ] - [ 0.0002185800000000, 0.0000000000000000, 0.0000943000000000 ] - [ -0.0000398700000000, -0.0000041800000000, 0.0000589600000000 ] - [ 0.0000136900000000, 0.0000000000000000, 0.0001436100000000 ] - [ 0.0000702900000000, -0.0000123000000000, 0.0001798500000000 ] - [ 0.0001822500000000, 0.0000000000000000, 0.0000511300000000 ] - [ 0.0005930800000000, -0.0001191000000000, 0.0002631600000000 ] - [ 0.0000437600000000, 0.0000000000000000, 0.0001620300000000 ] - [ 0.0000438700000000, 0.0000266200000000, -0.0000669800000000 ] - [ 0.0017440300000000, 0.0000000000000000, 0.0025236900000000 ] - [ 0.0005930800000000, 0.0001191000000000, 0.0002631600000000 ] - [ 0.0000382700000000, 0.0000000000000000, 0.0005600700000000 ] - [ 0.0001800500000000, -0.0000847200000000, 0.0001788800000000 ] - [ -0.0013365400000000, 0.0000000000000000, -0.0002981600000000 ] - [ -0.0000434000000000, 0.0000000000000000, -0.0006973500000000 ] - [ -0.0003541000000000, -0.0007415000000000, -0.0020838200000000 ] - [ -0.0003541000000000, 0.0007415000000000, -0.0020838200000000 ] - [ -0.0040229800000000, -0.0005413300000000, -0.0010824600000000 ] - [ -0.0026915600000000, 0.0000000000000000, 0.0010537700000000 ] - [ 0.0108050700000000, -0.0032165400000000, -0.0021536000000000 ] - [ 0.0028592000000000, 0.0000000000000000, -0.0032009500000000 ] - [ 0.0033729900000000, 0.0000000000000000, -0.0026658000000000 ] - [ -0.0005361700000000, -0.0001036400000000, 0.0017127100000000 ] - [ 0.0096778200000000, 0.0000000000000000, 0.0032177600000000 ] - [ 0.0123002100000000, -0.0031823300000000, -0.0031287000000000 ] - [ -0.0000023000000000, 0.0000000000000000, 0.0005383800000000 ] - [ -0.0005361700000000, 0.0001036400000000, 0.0017127100000000 ] - [ -0.0016954400000000, 0.0000000000000000, 0.0001471800000000 ] - [ 0.0123002100000000, 0.0031823300000000, -0.0031287000000000 ] - [ -0.0001675700000000, 0.0000000000000000, 0.0006130300000000 ] - [ 0.0000667500000000, -0.0000861300000000, 0.0001207200000000 ] - [ 0.0016963800000000, 0.0000000000000000, 0.0031747400000000 ] - [ 0.0005956600000000, 0.0003334500000000, 0.0002513500000000 ] - [ 0.0000328100000000, 0.0000000000000000, 0.0001021700000000 ] - [ -0.0000903000000000, 0.0000305400000000, -0.0001100700000000 ] - [ -0.0001406400000000, 0.0000000000000000, 0.0001600300000000 ] - [ -0.0004138600000000, -0.0000881300000000, 0.0001463900000000 ] - [ -0.0000761900000000, 0.0000000000000000, 0.0001196500000000 ] - [ -0.0000398700000000, 0.0000041800000000, 0.0000589600000000 ] - [ -0.0001744700000000, 0.0000000000000000, 0.0001290800000000 ] - [ 0.0000278600000000, 0.0000077400000000, 0.0001984400000000 ] - [ 0.0000316400000000, 0.0000000000000000, 0.0001355700000000 ] - [ 0.0000106400000000, 0.0000024400000000, 0.0000446000000000 ] - [ -0.0000283800000000, 0.0000000000000000, 0.0001135300000000 ] - [ 0.0000278600000000, -0.0000077400000000, 0.0001984400000000 ] - [ -0.0001011600000000, 0.0000000000000000, 0.0001399500000000 ] - [ -0.0004592800000000, 0.0000246300000000, 0.0000405800000000 ] - [ -0.0000011100000000, 0.0000000000000000, 0.0001120600000000 ] - [ 0.0001800500000000, 0.0000847200000000, 0.0001788800000000 ] - [ -0.0012773300000000, 0.0000000000000000, -0.0000249900000000 ] - [ -0.0004592800000000, -0.0000246300000000, 0.0000405800000000 ] - [ 0.0001430200000000, 0.0000000000000000, -0.0004574600000000 ] - [ 0.0000438700000000, -0.0000266200000000, -0.0000669800000000 ] - [ 0.0026344200000000, 0.0000000000000000, 0.0005938100000000 ] - [ 0.0000642900000000, 0.0000000000000000, 0.0006019800000000 ] - [ -0.0005926500000000, -0.0000436600000000, 0.0016535500000000 ] - [ -0.0005926500000000, 0.0000436600000000, 0.0016535500000000 ]- atom: 2 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0018976300000000, 0.0000000000000000, 0.0009568100000000 ] - [ 0.1160085000000000, 0.0000000000000000, -0.0166376600000000 ] - [ 0.0016803500000000, 0.0000000000000000, -0.0005496300000000 ] - [ -0.0013128500000000, 0.0000000000000000, -0.0006102300000000 ] - [ 0.0000412900000000, 0.0000000000000000, 0.0000241500000000 ] - [ -0.0001873800000000, 0.0000000000000000, 0.0000449800000000 ] - [ -0.0000134900000000, 0.0000000000000000, 0.0001561200000000 ] - [ 0.0000337200000000, 0.0000000000000000, 0.0000690200000000 ] - [ 0.0014847400000000, 0.0000000000000000, -0.0005332100000000 ] - [ 0.0002951600000000, 0.0000000000000000, 0.0002305100000000 ] - [ 0.0015310800000000, 0.0000000000000000, -0.0066533100000000 ] - [ -0.0035999100000000, 0.0000000000000000, 0.0005370100000000 ] - [ -0.0008392500000000, 0.0000000000000000, 0.0006985600000000 ] - [ -0.0029885600000000, 0.0000000000000000, 0.0092831400000000 ] - [ -0.0000267000000000, 0.0000000000000000, 0.0001223300000000 ] - [ 0.0002423300000000, 0.0000000000000000, 0.0002411500000000 ] - [ 0.0000759800000000, 0.0000000000000000, 0.0000560600000000 ] - [ -0.0000254000000000, 0.0000000000000000, 0.0000764600000000 ] - [ -0.0009990100000000, 0.0000000000000000, 0.0006363300000000 ] - [ -0.0000700300000000, 0.0000000000000000, -0.0000153200000000 ] - [ -0.0063322100000000, 0.0000000000000000, -0.0003586900000000 ] - [ -0.0038141400000000, 0.0000000000000000, 0.0115349900000000 ] - [ -0.0149605700000000, -0.0114589700000000, 0.0011661600000000 ] - [ 0.0020791300000000, 0.0000000000000000, -0.0099171000000000 ] - [ -0.0149605700000000, 0.0114589700000000, 0.0011661600000000 ] - [ 0.0005609500000000, -0.0008720100000000, 0.0013081500000000 ] - [ 0.0000082200000000, 0.0000000000000000, 0.0001561500000000 ] - [ 0.0000022200000000, 0.0000000000000000, -0.0002394500000000 ] - [ -0.0014803800000000, 0.0000017700000000, -0.0006620900000000 ] - [ 0.0000658000000000, 0.0000000000000000, 0.0000687800000000 ] - [ -0.0066385400000000, 0.0000000000000000, 0.0002153000000000 ] - [ -0.0000886600000000, -0.0000600400000000, 0.0001206000000000 ] - [ 0.0001148100000000, 0.0000711000000000, 0.0001383000000000 ] - [ 0.0004902500000000, 0.0000000000000000, -0.0001745600000000 ] - [ 0.0002295200000000, -0.0000396300000000, 0.0001400800000000 ] - [ 0.0005939200000000, 0.0000000000000000, -0.0001100100000000 ] - [ 0.0002295200000000, 0.0000396300000000, 0.0001400800000000 ] - [ -0.0010307800000000, -0.0001469900000000, -0.0008904000000000 ] - [ 0.0005620900000000, 0.0003760000000000, 0.0013453500000000 ] - [ 0.0001157900000000, 0.0000000000000000, -0.0002617500000000 ] - [ 0.0109668500000000, 0.0000000000000000, -0.0002854000000000 ] - [ -0.0016715500000000, 0.0000000000000000, -0.0021596300000000 ] - [ -0.0185814600000000, -0.0142742100000000, 0.0016146200000000 ] - [ -0.0028025100000000, 0.0000000000000000, 0.0022191600000000 ] - [ -0.0185814600000000, 0.0142742100000000, 0.0016146200000000 ] - [ -0.0014803800000000, -0.0000017700000000, -0.0006620900000000 ] - [ -0.0000152000000000, 0.0000000000000000, 0.0001706200000000 ] - [ -0.0001070100000000, 0.0000000000000000, 0.0004186400000000 ] - [ 0.0005609500000000, 0.0008720100000000, 0.0013081500000000 ] - [ 0.0000287400000000, 0.0000000000000000, 0.0000866500000000 ] - [ 0.0110597800000000, 0.0000000000000000, 0.0005687900000000 ] - [ 0.0001148100000000, -0.0000711000000000, 0.0001383000000000 ] - [ -0.0000886600000000, 0.0000600400000000, 0.0001206000000000 ] - [ -0.0005771400000000, 0.0000000000000000, 0.0004512900000000 ] - [ 0.0000325500000000, -0.0000218200000000, 0.0001028600000000 ] - [ -0.0006247800000000, 0.0000000000000000, 0.0003681200000000 ] - [ 0.0000325500000000, 0.0000218200000000, 0.0001028600000000 ] - [ 0.0005620900000000, -0.0003760000000000, 0.0013453500000000 ] - [ -0.0010307800000000, 0.0001469900000000, -0.0008904000000000 ] - [ -0.0000322400000000, 0.0000000000000000, 0.0004421300000000 ] - [ -0.0109586200000000, -0.0031373400000000, 0.0023105900000000 ] - [ -0.0135560000000000, 0.0000000000000000, -0.0035939300000000 ] - [ 0.0039703500000000, -0.0008195200000000, 0.0010598000000000 ] - [ 0.0047501300000000, 0.0000000000000000, -0.0023513400000000 ] - [ 0.0053473000000000, 0.0000000000000000, -0.0030456100000000 ] - [ 0.0007102600000000, -0.0013737000000000, 0.0024087700000000 ] - [ 0.0026217600000000, 0.0000000000000000, -0.0003149600000000 ] - [ 0.0038180900000000, -0.0004897600000000, 0.0007714800000000 ] - [ 0.0000490000000000, 0.0000000000000000, 0.0008282800000000 ] - [ 0.0007102600000000, 0.0013737000000000, 0.0024087700000000 ] - [ -0.0031816100000000, 0.0000000000000000, 0.0001232800000000 ] - [ 0.0038180900000000, 0.0004897600000000, 0.0007714800000000 ] - [ 0.0000738300000000, 0.0000000000000000, 0.0003559900000000 ] - [ 0.0000731200000000, -0.0000943300000000, -0.0000236100000000 ] - [ 0.0013205600000000, 0.0000000000000000, -0.0002655900000000 ] - [ 0.0004316000000000, 0.0001342100000000, -0.0001123500000000 ] - [ 0.0000453200000000, 0.0000000000000000, -0.0001220400000000 ] - [ -0.0000843900000000, 0.0000382700000000, -0.0002553500000000 ] - [ -0.0001484800000000, 0.0000000000000000, 0.0000020200000000 ] - [ -0.0005807100000000, 0.0001119900000000, -0.0002188300000000 ] - [ -0.0000404100000000, 0.0000000000000000, -0.0000596000000000 ] - [ -0.0000633600000000, 0.0000274300000000, -0.0001122800000000 ] - [ -0.0001623600000000, 0.0000000000000000, -0.0002028700000000 ] - [ 0.0000013600000000, -0.0000125400000000, 0.0000247900000000 ] - [ 0.0000417900000000, 0.0000000000000000, -0.0001554700000000 ] - [ -0.0000131200000000, -0.0000210100000000, -0.0001266400000000 ] - [ 0.0000078600000000, 0.0000000000000000, -0.0000619300000000 ] - [ 0.0000013600000000, 0.0000125400000000, 0.0000247900000000 ] - [ -0.0000963100000000, 0.0000000000000000, -0.0000307700000000 ] - [ -0.0005547000000000, 0.0001527900000000, -0.0002609100000000 ] - [ 0.0000076000000000, 0.0000000000000000, -0.0001230000000000 ] - [ 0.0001766000000000, 0.0000858200000000, 0.0000232100000000 ] - [ -0.0017766500000000, 0.0000000000000000, -0.0022670500000000 ] - [ -0.0005547000000000, -0.0001527900000000, -0.0002609100000000 ] - [ 0.0002862100000000, 0.0000000000000000, -0.0006399100000000 ] - [ 0.0000402900000000, -0.0000276100000000, -0.0002221300000000 ] - [ 0.0013121800000000, 0.0000000000000000, 0.0005180500000000 ] - [ 0.0000836000000000, 0.0000000000000000, 0.0006770000000000 ] - [ 0.0004540000000000, 0.0007937400000000, 0.0021377800000000 ] - [ 0.0004540000000000, -0.0007937400000000, 0.0021377800000000 ] - [ 0.0039703500000000, 0.0008195200000000, 0.0010598000000000 ] - [ 0.0025082000000000, 0.0000000000000000, -0.0007534200000000 ] - [ -0.0109586200000000, 0.0031373400000000, 0.0023105900000000 ] - [ -0.0029031300000000, 0.0000000000000000, 0.0031798000000000 ] - [ -0.0035376000000000, 0.0000000000000000, 0.0025874600000000 ] - [ 0.0004182300000000, 0.0000860200000000, -0.0016259100000000 ] - [ -0.0085359900000000, 0.0000000000000000, -0.0027604100000000 ] - [ -0.0123241300000000, 0.0029901800000000, 0.0029281400000000 ] - [ -0.0002995300000000, 0.0000000000000000, -0.0003808700000000 ] - [ 0.0004182300000000, -0.0000860200000000, -0.0016259100000000 ] - [ 0.0016066700000000, 0.0000000000000000, -0.0001226800000000 ] - [ -0.0123241300000000, -0.0029901800000000, 0.0029281400000000 ] - [ 0.0001075500000000, 0.0000000000000000, -0.0006762000000000 ] - [ -0.0000843900000000, -0.0000382700000000, -0.0002553500000000 ] - [ -0.0017451500000000, 0.0000000000000000, -0.0032847500000000 ] - [ -0.0005807100000000, -0.0001119900000000, -0.0002188300000000 ] - [ 0.0000944600000000, 0.0000000000000000, -0.0000752700000000 ] - [ 0.0000731200000000, 0.0000943300000000, -0.0000236100000000 ] - [ 0.0001048200000000, 0.0000000000000000, -0.0001060000000000 ] - [ 0.0004316000000000, -0.0001342100000000, -0.0001123500000000 ] - [ -0.0000911100000000, 0.0000000000000000, -0.0000822500000000 ] - [ -0.0000131200000000, 0.0000210100000000, -0.0001266400000000 ] - [ 0.0000167500000000, 0.0000000000000000, -0.0002870000000000 ] - [ 0.0000443000000000, -0.0000079500000000, 0.0000064500000000 ] - [ 0.0002283800000000, 0.0000000000000000, -0.0001969500000000 ] - [ -0.0000633600000000, -0.0000274300000000, -0.0001122800000000 ] - [ 0.0000494600000000, 0.0000000000000000, -0.0000316800000000 ] - [ 0.0000443000000000, 0.0000079500000000, 0.0000064500000000 ] - [ 0.0001867200000000, 0.0000000000000000, -0.0001198200000000 ] - [ 0.0004951000000000, 0.0000094900000000, -0.0000398700000000 ] - [ 0.0000531000000000, 0.0000000000000000, -0.0000740900000000 ] - [ 0.0000402900000000, 0.0000276100000000, -0.0002221300000000 ] - [ 0.0012415500000000, 0.0000000000000000, 0.0002707500000000 ] - [ 0.0004951000000000, -0.0000094900000000, -0.0000398700000000 ] - [ 0.0001828900000000, 0.0000000000000000, 0.0003755300000000 ] - [ 0.0001766000000000, -0.0000858200000000, 0.0000232100000000 ] - [ -0.0026543400000000, 0.0000000000000000, -0.0003662900000000 ] - [ -0.0000251800000000, 0.0000000000000000, -0.0006194400000000 ] - [ 0.0006865600000000, 0.0000969400000000, -0.0015938700000000 ] - [ 0.0006865600000000, -0.0000969400000000, -0.0015938700000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000346200000000, 0.0009184300000000, -0.0000777200000000 ] - [ -0.0001676200000000, -0.0819088400000000, 0.0001044100000000 ] - [ -0.0000588100000000, -0.0000831700000000, -0.0000092000000000 ] - [ -0.0001041300000000, -0.0002017900000000, 0.0000374400000000 ] - [ -0.0000073100000000, -0.0000039000000000, -0.0000150000000000 ] - [ 0.0000351900000000, -0.0000317700000000, -0.0000034000000000 ] - [ 0.0000222800000000, -0.0000057700000000, 0.0000187400000000 ] - [ 0.0000015600000000, -0.0000022300000000, -0.0000301800000000 ] - [ -0.0000246200000000, -0.0000959500000000, -0.0000371100000000 ] - [ 0.0001223800000000, -0.0000390500000000, -0.0000211300000000 ] - [ 0.0000315500000000, -0.0004148100000000, -0.0000839700000000 ] - [ -0.0000771300000000, -0.0001809000000000, -0.0000180300000000 ] - [ -0.0000589800000000, -0.0003829800000000, -0.0000089800000000 ] - [ -0.0001109400000000, -0.0067145100000000, 0.0000571400000000 ] - [ -0.0000072100000000, -0.0000042700000000, -0.0000146100000000 ] - [ 0.0000351300000000, -0.0000333500000000, -0.0000036800000000 ] - [ 0.0000220800000000, -0.0000049000000000, 0.0000187700000000 ] - [ 0.0000015700000000, -0.0000014100000000, -0.0000301600000000 ] - [ -0.0000243900000000, -0.0005478100000000, -0.0000372900000000 ] - [ 0.0001225400000000, -0.0000451500000000, -0.0000212400000000 ] - [ 0.0000559600000000, 0.0002439200000000, -0.0000156200000000 ] - [ 0.0000950300000000, -0.0100129200000000, -0.0000195100000000 ] - [ 0.0118149200000000, 0.0022384600000000, 0.0027633100000000 ] - [ -0.0001552800000000, -0.0007481400000000, 0.0000725700000000 ] - [ -0.0118512400000000, 0.0025022200000000, -0.0027879200000000 ] - [ 0.0003394100000000, 0.0000915600000000, 0.0006404500000000 ] - [ 0.0000002800000000, 0.0000015500000000, 0.0000215500000000 ] - [ -0.0000449700000000, 0.0000051300000000, 0.0000268800000000 ] - [ -0.0001123700000000, -0.0000854500000000, -0.0000428200000000 ] - [ 0.0000520300000000, 0.0000017000000000, -0.0000623100000000 ] - [ -0.0001674800000000, 0.0003111900000000, 0.0000022700000000 ] - [ 0.0000256700000000, -0.0000413600000000, -0.0000074600000000 ] - [ 0.0000187500000000, 0.0000409200000000, -0.0000154800000000 ] - [ -0.0000621000000000, 0.0000770000000000, 0.0000314800000000 ] - [ 0.0001410300000000, -0.0000142200000000, -0.0000125100000000 ] - [ -0.0000408100000000, 0.0000840800000000, -0.0000057300000000 ] - [ 0.0001308700000000, 0.0000139000000000, -0.0000240200000000 ] - [ 0.0001246200000000, 0.0000137100000000, -0.0000084200000000 ] - [ -0.0004808000000000, -0.0000238800000000, -0.0006422200000000 ] - [ 0.0000472600000000, 0.0000085700000000, -0.0000107200000000 ] - [ 0.0000319800000000, 0.0160107500000000, 0.0000409800000000 ] - [ 0.0000896700000000, -0.0002874700000000, 0.0000022100000000 ] - [ 0.0147108600000000, 0.0026285700000000, 0.0031214700000000 ] - [ -0.0001607000000000, 0.0013554900000000, 0.0000611600000000 ] - [ -0.0145833400000000, 0.0029742900000000, -0.0031549100000000 ] - [ 0.0000435100000000, 0.0000941300000000, 0.0000227500000000 ] - [ 0.0000006000000000, 0.0000012900000000, 0.0000218100000000 ] - [ -0.0000446100000000, 0.0000116900000000, 0.0000270600000000 ] - [ -0.0004095800000000, -0.0000882000000000, -0.0006599800000000 ] - [ 0.0000520600000000, 0.0000014800000000, -0.0000624800000000 ] - [ -0.0001419800000000, 0.0181329500000000, -0.0000624000000000 ] - [ 0.0000266900000000, -0.0000413800000000, -0.0000060600000000 ] - [ 0.0000195300000000, 0.0000410500000000, -0.0000142700000000 ] - [ -0.0000624400000000, 0.0000996800000000, 0.0000314000000000 ] - [ 0.0001402400000000, -0.0000141500000000, -0.0000131000000000 ] - [ -0.0000407300000000, 0.0001471600000000, -0.0000058600000000 ] - [ 0.0001318200000000, 0.0000139000000000, -0.0000234100000000 ] - [ 0.0005315400000000, 0.0000024400000000, 0.0005578900000000 ] - [ -0.0000729000000000, -0.0000128200000000, -0.0000753600000000 ] - [ 0.0000469500000000, 0.0000177400000000, -0.0000109300000000 ] - [ 0.0003999700000000, 0.0104685800000000, -0.0025118500000000 ] - [ -0.0000507500000000, 0.0079528300000000, 0.0001756600000000 ] - [ -0.0002137400000000, -0.0000227200000000, 0.0000296200000000 ] - [ -0.0000223100000000, 0.0020604300000000, -0.0000071200000000 ] - [ -0.0000789900000000, 0.0023189400000000, -0.0000406500000000 ] - [ -0.0001210400000000, 0.0001283100000000, -0.0001274500000000 ] - [ 0.0000704300000000, -0.0022280900000000, -0.0001241900000000 ] - [ -0.0002564100000000, 0.0000870600000000, 0.0000114200000000 ] - [ -0.0001505300000000, 0.0000172000000000, 0.0000793200000000 ] - [ -0.0000051500000000, 0.0001381500000000, 0.0002147600000000 ] - [ -0.0000410500000000, 0.0012768300000000, 0.0000105100000000 ] - [ 0.0001430500000000, 0.0000777300000000, -0.0000328200000000 ] - [ -0.0000305900000000, -0.0000100000000000, -0.0000314200000000 ] - [ -0.0000056200000000, -0.0000597200000000, -0.0000752500000000 ] - [ -0.0000219700000000, 0.0000267600000000, -0.0000491200000000 ] - [ 0.0000730500000000, 0.0001121100000000, -0.0000612600000000 ] - [ 0.0000645100000000, 0.0000003800000000, 0.0000138500000000 ] - [ -0.0000097600000000, 0.0000615000000000, -0.0000586800000000 ] - [ -0.0000162500000000, 0.0000094400000000, 0.0000265700000000 ] - [ 0.0000598300000000, -0.0001337500000000, 0.0001171600000000 ] - [ -0.0000846300000000, -0.0000010400000000, 0.0000176800000000 ] - [ -0.0000265700000000, 0.0000135000000000, -0.0000326600000000 ] - [ -0.0000792300000000, -0.0000110600000000, -0.0000803100000000 ] - [ 0.0000361200000000, 0.0000013200000000, 0.0001011000000000 ] - [ 0.0001307000000000, -0.0000111900000000, -0.0000311500000000 ] - [ -0.0000262600000000, -0.0000148900000000, -0.0000364400000000 ] - [ 0.0000123100000000, -0.0000015700000000, 0.0000402800000000 ] - [ 0.0000364100000000, -0.0000026000000000, 0.0001025900000000 ] - [ 0.0000414600000000, 0.0000100900000000, 0.0000090500000000 ] - [ 0.0000656700000000, 0.0000020700000000, 0.0001024800000000 ] - [ 0.0000251400000000, 0.0000014100000000, 0.0000172000000000 ] - [ 0.0001056700000000, 0.0000585400000000, -0.0000109800000000 ] - [ -0.0000140700000000, -0.0012233700000000, 0.0001271200000000 ] - [ -0.0000275800000000, -0.0000346600000000, -0.0001025800000000 ] - [ 0.0001633400000000, -0.0001402600000000, -0.0000404700000000 ] - [ 0.0001096500000000, -0.0000563700000000, -0.0000359200000000 ] - [ -0.0000104800000000, -0.0000440200000000, 0.0001109700000000 ] - [ 0.0000188300000000, 0.0000126500000000, -0.0000116500000000 ] - [ 0.0000471100000000, 0.0000675200000000, 0.0001655500000000 ] - [ 0.0000500200000000, 0.0000111300000000, -0.0001092300000000 ] - [ 0.0001638000000000, 0.0002614600000000, -0.0000427300000000 ] - [ -0.0000958400000000, -0.0023665600000000, 0.0001521500000000 ] - [ -0.0008113700000000, 0.0107796900000000, 0.0029901600000000 ] - [ -0.0000445900000000, -0.0033025000000000, -0.0000161500000000 ] - [ -0.0000616400000000, -0.0034470600000000, -0.0000340400000000 ] - [ 0.0006495700000000, 0.0000421800000000, -0.0012086500000000 ] - [ 0.0000371400000000, 0.0095268700000000, -0.0001468400000000 ] - [ -0.0018534700000000, 0.0103733100000000, 0.0049450000000000 ] - [ -0.0001501300000000, 0.0001063600000000, 0.0000791200000000 ] - [ -0.0007724700000000, 0.0000558000000000, 0.0012963100000000 ] - [ -0.0000441500000000, -0.0000264400000000, 0.0000115800000000 ] - [ 0.0021439100000000, 0.0110229800000000, -0.0055460700000000 ] - [ -0.0000304700000000, -0.0000899800000000, -0.0000315200000000 ] - [ -0.0000082200000000, -0.0000580000000000, -0.0000772300000000 ] - [ -0.0000259300000000, -0.0013266400000000, -0.0000513400000000 ] - [ -0.0000432300000000, 0.0000900500000000, -0.0000848400000000 ] - [ 0.0000643800000000, 0.0000002300000000, 0.0000137100000000 ] - [ -0.0000126500000000, 0.0000602100000000, -0.0000605400000000 ] - [ -0.0000162800000000, 0.0000042900000000, 0.0000266700000000 ] - [ -0.0000561500000000, -0.0001121400000000, 0.0000938600000000 ] - [ -0.0000845600000000, -0.0000012100000000, 0.0000179400000000 ] - [ -0.0000268600000000, 0.0000137300000000, -0.0000330900000000 ] - [ -0.0000791400000000, -0.0000050500000000, -0.0000802400000000 ] - [ 0.0000366800000000, 0.0000011400000000, 0.0001016700000000 ] - [ 0.0001308600000000, -0.0000065500000000, -0.0000310700000000 ] - [ -0.0000266800000000, -0.0000148100000000, -0.0000369100000000 ] - [ 0.0000121900000000, -0.0000014100000000, 0.0000402800000000 ] - [ 0.0000362100000000, -0.0000020200000000, 0.0001022400000000 ] - [ 0.0000416200000000, 0.0000062000000000, 0.0000088400000000 ] - [ -0.0000727500000000, 0.0000232300000000, 0.0001060700000000 ] - [ 0.0000256800000000, 0.0000006600000000, 0.0000170500000000 ] - [ 0.0001115300000000, 0.0000607200000000, -0.0000086600000000 ] - [ -0.0000173600000000, 0.0000563300000000, 0.0001258200000000 ] - [ 0.0001106500000000, -0.0000140900000000, -0.0001062000000000 ] - [ 0.0001631800000000, -0.0000076800000000, -0.0000405200000000 ] - [ 0.0001157200000000, -0.0000581700000000, -0.0000337400000000 ] - [ -0.0000140500000000, 0.0013820100000000, 0.0001094600000000 ] - [ 0.0000187100000000, 0.0001573600000000, -0.0000115700000000 ] - [ -0.0006998900000000, -0.0000303400000000, 0.0016562700000000 ] - [ 0.0007980700000000, -0.0000857100000000, -0.0016005500000000 ]- atom: 2 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0012248300000000, 0.0000000000000000, -0.0004466700000000 ] - [ -0.0000403100000000, 0.0000000000000000, -0.0792591900000000 ] - [ 0.0003534700000000, 0.0000000000000000, 0.0009417300000000 ] - [ 0.0007071600000000, 0.0000000000000000, -0.0007469100000000 ] - [ 0.0000454800000000, 0.0000000000000000, 0.0008287800000000 ] - [ 0.0001083900000000, 0.0000000000000000, 0.0008562700000000 ] - [ -0.0000190000000000, 0.0000000000000000, 0.0008981300000000 ] - [ 0.0000484200000000, 0.0000000000000000, 0.0009655400000000 ] - [ 0.0005895700000000, 0.0000000000000000, 0.0007631100000000 ] - [ 0.0001160800000000, 0.0000000000000000, 0.0011043200000000 ] - [ 0.0030803100000000, 0.0000000000000000, 0.0045026500000000 ] - [ -0.0001119400000000, 0.0000000000000000, -0.0038849800000000 ] - [ -0.0005503500000000, 0.0000000000000000, 0.0005401500000000 ] - [ -0.0092280500000000, 0.0000000000000000, 0.0072263300000000 ] - [ -0.0000415700000000, 0.0000000000000000, 0.0008492800000000 ] - [ -0.0000137900000000, 0.0000000000000000, 0.0011284600000000 ] - [ 0.0000724000000000, 0.0000000000000000, 0.0008568100000000 ] - [ 0.0000260000000000, 0.0000000000000000, 0.0009437200000000 ] - [ -0.0006691700000000, 0.0000000000000000, 0.0007184400000000 ] - [ 0.0001401700000000, 0.0000000000000000, 0.0008367400000000 ] - [ 0.0014053300000000, 0.0000000000000000, -0.0011456900000000 ] - [ -0.0119544800000000, 0.0000000000000000, 0.0097678400000000 ] - [ 0.0003932200000000, 0.0043164000000000, -0.0135105300000000 ] - [ 0.0042973400000000, 0.0000000000000000, 0.0073082600000000 ] - [ 0.0003932200000000, -0.0043164000000000, -0.0135105300000000 ] - [ -0.0009192100000000, 0.0005548100000000, 0.0022037600000000 ] - [ -0.0000264700000000, 0.0000000000000000, 0.0014421300000000 ] - [ 0.0000327800000000, 0.0000000000000000, 0.0013781000000000 ] - [ 0.0006850400000000, -0.0001836000000000, 0.0007662700000000 ] - [ 0.0000344200000000, 0.0000000000000000, 0.0013603100000000 ] - [ 0.0012348400000000, 0.0000000000000000, -0.0015593200000000 ] - [ 0.0000436200000000, -0.0000888900000000, 0.0012848700000000 ] - [ 0.0000641300000000, 0.0001133900000000, 0.0013797800000000 ] - [ 0.0003001200000000, 0.0000000000000000, 0.0016460000000000 ] - [ 0.0001980100000000, -0.0000838200000000, 0.0013742300000000 ] - [ 0.0004098200000000, 0.0000000000000000, 0.0015526200000000 ] - [ 0.0001980100000000, 0.0000838200000000, 0.0013742300000000 ] - [ 0.0004137200000000, 0.0000475300000000, 0.0006635600000000 ] - [ -0.0005763200000000, -0.0005366300000000, 0.0022630600000000 ] - [ 0.0001100300000000, 0.0000000000000000, 0.0012694400000000 ] - [ 0.0035959900000000, 0.0000000000000000, 0.0016146100000000 ] - [ 0.0010322600000000, 0.0000000000000000, -0.0007614300000000 ] - [ 0.0005873400000000, 0.0053731200000000, -0.0145660000000000 ] - [ -0.0018287900000000, 0.0000000000000000, -0.0003170900000000 ] - [ 0.0005873400000000, -0.0053731200000000, -0.0145660000000000 ] - [ 0.0006850400000000, 0.0001836000000000, 0.0007662700000000 ] - [ -0.0000689300000000, 0.0000000000000000, 0.0014258800000000 ] - [ -0.0001816400000000, 0.0000000000000000, 0.0015893300000000 ] - [ -0.0009192100000000, -0.0005548100000000, 0.0022037600000000 ] - [ -0.0000011000000000, 0.0000000000000000, 0.0013570000000000 ] - [ 0.0036541900000000, 0.0000000000000000, 0.0017761400000000 ] - [ 0.0000641300000000, -0.0001133900000000, 0.0013797800000000 ] - [ 0.0000436200000000, 0.0000888900000000, 0.0012848700000000 ] - [ -0.0004021900000000, 0.0000000000000000, 0.0013115500000000 ] - [ 0.0001374900000000, -0.0000599600000000, 0.0012877000000000 ] - [ -0.0004275300000000, 0.0000000000000000, 0.0013661100000000 ] - [ 0.0001374900000000, 0.0000599600000000, 0.0012877000000000 ] - [ -0.0005763200000000, 0.0005366300000000, 0.0022630600000000 ] - [ 0.0004137200000000, -0.0000475300000000, 0.0006635600000000 ] - [ -0.0000909800000000, 0.0000000000000000, 0.0016119300000000 ] - [ 0.0010213900000000, -0.0045781500000000, 0.0128548800000000 ] - [ 0.0027658600000000, 0.0000000000000000, 0.0151255200000000 ] - [ -0.0016103000000000, 0.0007867400000000, 0.0016303300000000 ] - [ 0.0013127500000000, 0.0000000000000000, 0.0041910900000000 ] - [ 0.0008408600000000, 0.0000000000000000, 0.0040805200000000 ] - [ -0.0011323600000000, 0.0008010100000000, -0.0008052500000000 ] - [ 0.0022528800000000, 0.0000000000000000, 0.0029219500000000 ] - [ -0.0015690300000000, 0.0007637800000000, 0.0017618100000000 ] - [ -0.0003498100000000, 0.0000000000000000, -0.0010317600000000 ] - [ -0.0011323600000000, -0.0008010100000000, -0.0008052500000000 ] - [ 0.0005456800000000, 0.0000000000000000, -0.0032588900000000 ] - [ -0.0015690300000000, -0.0007637800000000, 0.0017618100000000 ] - [ -0.0002210500000000, 0.0000000000000000, -0.0006877500000000 ] - [ -0.0001348700000000, 0.0000190400000000, -0.0008350600000000 ] - [ -0.0002414300000000, 0.0000000000000000, 0.0003678700000000 ] - [ 0.0000835100000000, 0.0000788500000000, -0.0005454300000000 ] - [ 0.0001171300000000, 0.0000000000000000, -0.0011834900000000 ] - [ -0.0000833400000000, -0.0000267800000000, -0.0009357500000000 ] - [ 0.0000693000000000, 0.0000000000000000, -0.0008720100000000 ] - [ -0.0003276000000000, -0.0000602100000000, -0.0011444900000000 ] - [ 0.0000684300000000, 0.0000000000000000, -0.0008213700000000 ] - [ -0.0001494600000000, 0.0000995500000000, -0.0008603200000000 ] - [ -0.0000881000000000, 0.0000000000000000, -0.0013206000000000 ] - [ -0.0000998600000000, -0.0001012000000000, -0.0007366400000000 ] - [ 0.0001242800000000, 0.0000000000000000, -0.0012533500000000 ] - [ -0.0001084800000000, -0.0000912300000000, -0.0008420700000000 ] - [ 0.0001600200000000, 0.0000000000000000, -0.0008265900000000 ] - [ -0.0000998600000000, 0.0001012000000000, -0.0007366400000000 ] - [ 0.0001190300000000, 0.0000000000000000, -0.0008807900000000 ] - [ -0.0003882000000000, 0.0000605000000000, -0.0011248300000000 ] - [ 0.0000680200000000, 0.0000000000000000, -0.0011694800000000 ] - [ -0.0000062000000000, -0.0000379700000000, -0.0007822200000000 ] - [ -0.0004955100000000, 0.0000000000000000, -0.0015773100000000 ] - [ -0.0003882000000000, -0.0000605000000000, -0.0011248300000000 ] - [ 0.0005412000000000, 0.0000000000000000, -0.0010318500000000 ] - [ 0.0000023500000000, 0.0000627600000000, -0.0009190600000000 ] - [ -0.0000688900000000, 0.0000000000000000, 0.0001790800000000 ] - [ -0.0001206100000000, 0.0000000000000000, -0.0009709000000000 ] - [ -0.0008713800000000, -0.0005947200000000, -0.0006252200000000 ] - [ -0.0008713800000000, 0.0005947200000000, -0.0006252200000000 ] - [ -0.0016103000000000, -0.0007867400000000, 0.0016303300000000 ] - [ 0.0022790400000000, 0.0000000000000000, 0.0031444000000000 ] - [ 0.0010213900000000, 0.0045781500000000, 0.0128548800000000 ] - [ -0.0022820200000000, 0.0000000000000000, 0.0044611300000000 ] - [ -0.0027941200000000, 0.0000000000000000, 0.0043197100000000 ] - [ 0.0011168400000000, -0.0001661100000000, -0.0004674600000000 ] - [ 0.0020194100000000, 0.0000000000000000, 0.0168557700000000 ] - [ 0.0001084200000000, 0.0054919100000000, 0.0155614000000000 ] - [ 0.0002816800000000, 0.0000000000000000, -0.0013499400000000 ] - [ 0.0011168400000000, 0.0001661100000000, -0.0004674600000000 ] - [ -0.0001697100000000, 0.0000000000000000, 0.0001543300000000 ] - [ 0.0001084200000000, -0.0054919100000000, 0.0155614000000000 ] - [ 0.0003962200000000, 0.0000000000000000, -0.0009721500000000 ] - [ -0.0000833400000000, 0.0000267800000000, -0.0009357500000000 ] - [ -0.0003732500000000, 0.0000000000000000, -0.0019498400000000 ] - [ -0.0003276000000000, 0.0000602100000000, -0.0011444900000000 ] - [ 0.0001193200000000, 0.0000000000000000, -0.0011458000000000 ] - [ -0.0001348700000000, -0.0000190400000000, -0.0008350600000000 ] - [ 0.0002050600000000, 0.0000000000000000, -0.0007975900000000 ] - [ 0.0000835100000000, -0.0000788500000000, -0.0005454300000000 ] - [ 0.0000731100000000, 0.0000000000000000, -0.0008551300000000 ] - [ -0.0001084800000000, 0.0000912300000000, -0.0008420700000000 ] - [ 0.0000077400000000, 0.0000000000000000, -0.0011620000000000 ] - [ -0.0000557800000000, -0.0000877700000000, -0.0007084300000000 ] - [ 0.0002366800000000, 0.0000000000000000, -0.0011371300000000 ] - [ -0.0001494600000000, -0.0000995500000000, -0.0008603200000000 ] - [ 0.0001626500000000, 0.0000000000000000, -0.0007894000000000 ] - [ -0.0000557800000000, 0.0000877700000000, -0.0007084300000000 ] - [ 0.0002971700000000, 0.0000000000000000, -0.0008448400000000 ] - [ 0.0001732000000000, 0.0000536400000000, -0.0005928600000000 ] - [ 0.0000791000000000, 0.0000000000000000, -0.0011261700000000 ] - [ 0.0000023500000000, -0.0000627600000000, -0.0009190600000000 ] - [ -0.0000282500000000, 0.0000000000000000, 0.0003855300000000 ] - [ 0.0001732000000000, -0.0000536400000000, -0.0005928600000000 ] - [ 0.0000546000000000, 0.0000000000000000, -0.0006292200000000 ] - [ -0.0000062000000000, 0.0000379700000000, -0.0007822200000000 ] - [ 0.0007435100000000, 0.0000000000000000, -0.0031425600000000 ] - [ 0.0004136200000000, 0.0000000000000000, -0.0015623000000000 ] - [ 0.0011866300000000, 0.0002509700000000, -0.0007565900000000 ] - [ 0.0011866300000000, -0.0002509700000000, -0.0007565900000000 ]- atom: 2 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0012982400000000, 0.0000000000000000, 0.0002805800000000 ] - [ -0.0001661300000000, 0.0000000000000000, 0.0792534200000000 ] - [ -0.0004665300000000, 0.0000000000000000, -0.0009568300000000 ] - [ -0.0009121500000000, 0.0000000000000000, 0.0008457700000000 ] - [ -0.0000584000000000, 0.0000000000000000, -0.0008581400000000 ] - [ -0.0000350400000000, 0.0000000000000000, -0.0008566600000000 ] - [ 0.0000587800000000, 0.0000000000000000, -0.0008552100000000 ] - [ -0.0000422800000000, 0.0000000000000000, -0.0010249700000000 ] - [ -0.0006413800000000, 0.0000000000000000, -0.0008443600000000 ] - [ 0.0001265700000000, 0.0000000000000000, -0.0011514800000000 ] - [ -0.0029530400000000, 0.0000000000000000, -0.0046257000000000 ] - [ -0.0000405700000000, 0.0000000000000000, 0.0038531300000000 ] - [ 0.0004408500000000, 0.0000000000000000, -0.0005548900000000 ] - [ 0.0091488700000000, 0.0000000000000000, -0.0071965000000000 ] - [ 0.0000324200000000, 0.0000000000000000, -0.0008802200000000 ] - [ 0.0000862200000000, 0.0000000000000000, -0.0011302000000000 ] - [ -0.0000308000000000, 0.0000000000000000, -0.0008153300000000 ] - [ -0.0000209800000000, 0.0000000000000000, -0.0010025300000000 ] - [ 0.0006149900000000, 0.0000000000000000, -0.0007987900000000 ] - [ 0.0001030300000000, 0.0000000000000000, -0.0008845800000000 ] - [ -0.0012734000000000, 0.0000000000000000, 0.0011029800000000 ] - [ 0.0119671300000000, 0.0000000000000000, -0.0097303400000000 ] - [ -0.0003096700000000, -0.0045809400000000, 0.0135126500000000 ] - [ -0.0046931300000000, 0.0000000000000000, -0.0072308100000000 ] - [ -0.0003096700000000, 0.0045809400000000, 0.0135126500000000 ] - [ 0.0008552900000000, -0.0003923200000000, -0.0022264700000000 ] - [ 0.0000203200000000, 0.0000000000000000, -0.0014005700000000 ] - [ -0.0001192800000000, 0.0000000000000000, -0.0013203100000000 ] - [ -0.0007590400000000, 0.0000061900000000, -0.0007827000000000 ] - [ 0.0000745000000000, 0.0000000000000000, -0.0014786600000000 ] - [ -0.0015782700000000, 0.0000000000000000, 0.0015760500000000 ] - [ 0.0000004500000000, 0.0000043100000000, -0.0013073600000000 ] - [ -0.0000207200000000, -0.0000280600000000, -0.0014025300000000 ] - [ -0.0004375700000000, 0.0000000000000000, -0.0015945400000000 ] - [ 0.0000753400000000, 0.0000583000000000, -0.0014060100000000 ] - [ -0.0004832500000000, 0.0000000000000000, -0.0015621400000000 ] - [ 0.0000753400000000, -0.0000583000000000, -0.0014060100000000 ] - [ -0.0003601200000000, -0.0000095500000000, -0.0007554500000000 ] - [ 0.0006219200000000, 0.0004859900000000, -0.0023495000000000 ] - [ -0.0000188100000000, 0.0000000000000000, -0.0012959500000000 ] - [ -0.0034957600000000, 0.0000000000000000, -0.0016619600000000 ] - [ -0.0008747100000000, 0.0000000000000000, 0.0007212400000000 ] - [ -0.0006118000000000, -0.0056940000000000, 0.0145258100000000 ] - [ 0.0015160900000000, 0.0000000000000000, 0.0004610000000000 ] - [ -0.0006118000000000, 0.0056940000000000, 0.0145258100000000 ] - [ -0.0007590400000000, -0.0000061900000000, -0.0007827000000000 ] - [ 0.0000624900000000, 0.0000000000000000, -0.0013849100000000 ] - [ 0.0000970600000000, 0.0000000000000000, -0.0015343400000000 ] - [ 0.0008552900000000, 0.0003923200000000, -0.0022264700000000 ] - [ 0.0001101600000000, 0.0000000000000000, -0.0014748200000000 ] - [ -0.0039651700000000, 0.0000000000000000, -0.0017515700000000 ] - [ -0.0000207200000000, 0.0000280600000000, -0.0014025300000000 ] - [ 0.0000004500000000, -0.0000043100000000, -0.0013073600000000 ] - [ 0.0002704000000000, 0.0000000000000000, -0.0012559200000000 ] - [ 0.0001345400000000, 0.0000338400000000, -0.0013194800000000 ] - [ 0.0003492300000000, 0.0000000000000000, -0.0013788100000000 ] - [ 0.0001345400000000, -0.0000338400000000, -0.0013194800000000 ] - [ 0.0006219200000000, -0.0004859900000000, -0.0023495000000000 ] - [ -0.0003601200000000, 0.0000095500000000, -0.0007554500000000 ] - [ 0.0001811000000000, 0.0000000000000000, -0.0016357200000000 ] - [ -0.0012501900000000, 0.0045645500000000, -0.0126541800000000 ] - [ -0.0035783600000000, 0.0000000000000000, -0.0152328500000000 ] - [ 0.0015638200000000, -0.0010680100000000, -0.0016480500000000 ] - [ -0.0013668700000000, 0.0000000000000000, -0.0042177500000000 ] - [ -0.0010167000000000, 0.0000000000000000, -0.0041643100000000 ] - [ 0.0010148300000000, -0.0008246000000000, 0.0008910600000000 ] - [ -0.0021174000000000, 0.0000000000000000, -0.0031677600000000 ] - [ 0.0014516700000000, -0.0007481300000000, -0.0017904100000000 ] - [ 0.0000515300000000, 0.0000000000000000, 0.0011844000000000 ] - [ 0.0010148300000000, 0.0008246000000000, 0.0008910600000000 ] - [ -0.0006379600000000, 0.0000000000000000, 0.0033199300000000 ] - [ 0.0014516700000000, 0.0007481300000000, -0.0017904100000000 ] - [ 0.0001537400000000, 0.0000000000000000, 0.0006191200000000 ] - [ 0.0001231400000000, -0.0001526500000000, 0.0007044900000000 ] - [ 0.0001858600000000, 0.0000000000000000, -0.0004909100000000 ] - [ -0.0000727900000000, 0.0001384600000000, 0.0005747000000000 ] - [ 0.0000129300000000, 0.0000000000000000, 0.0012046900000000 ] - [ 0.0000710400000000, 0.0001609300000000, 0.0008059700000000 ] - [ -0.0001091100000000, 0.0000000000000000, 0.0009294300000000 ] - [ 0.0003421100000000, -0.0001589800000000, 0.0011783500000000 ] - [ -0.0002336800000000, 0.0000000000000000, 0.0008526400000000 ] - [ 0.0001021400000000, -0.0000808500000000, 0.0007954000000000 ] - [ -0.0000767100000000, 0.0000000000000000, 0.0011621700000000 ] - [ 0.0001658600000000, 0.0000928900000000, 0.0009368600000000 ] - [ 0.0001414700000000, 0.0000000000000000, 0.0011975500000000 ] - [ 0.0000606700000000, 0.0000718400000000, 0.0007769000000000 ] - [ -0.0001420000000000, 0.0000000000000000, 0.0009111900000000 ] - [ 0.0001658600000000, -0.0000928900000000, 0.0009368600000000 ] - [ -0.0000274800000000, 0.0000000000000000, 0.0008947800000000 ] - [ 0.0004287400000000, -0.0000353800000000, 0.0011317900000000 ] - [ -0.0000196400000000, 0.0000000000000000, 0.0012107000000000 ] - [ 0.0002198200000000, 0.0001373000000000, 0.0007332700000000 ] - [ 0.0004688900000000, 0.0000000000000000, 0.0018582900000000 ] - [ 0.0004287400000000, 0.0000353800000000, 0.0011317900000000 ] - [ -0.0002147600000000, 0.0000000000000000, 0.0009589200000000 ] - [ 0.0002108900000000, -0.0001592200000000, 0.0008692500000000 ] - [ 0.0000263300000000, 0.0000000000000000, 0.0000605300000000 ] - [ 0.0001649800000000, 0.0000000000000000, 0.0009627500000000 ] - [ 0.0009787000000000, 0.0006548900000000, 0.0006924700000000 ] - [ 0.0009787000000000, -0.0006548900000000, 0.0006924700000000 ] - [ 0.0015638200000000, 0.0010680100000000, -0.0016480500000000 ] - [ -0.0024685900000000, 0.0000000000000000, -0.0028659400000000 ] - [ -0.0012501900000000, -0.0045645500000000, -0.0126541800000000 ] - [ 0.0022257100000000, 0.0000000000000000, -0.0044824200000000 ] - [ 0.0026212700000000, 0.0000000000000000, -0.0044115400000000 ] - [ -0.0012405600000000, 0.0001439400000000, 0.0005505900000000 ] - [ -0.0012097400000000, 0.0000000000000000, -0.0166214100000000 ] - [ 0.0000006800000000, -0.0058309600000000, -0.0158608000000000 ] - [ -0.0005851900000000, 0.0000000000000000, 0.0015079700000000 ] - [ -0.0012405600000000, -0.0001439400000000, 0.0005505900000000 ] - [ 0.0000802300000000, 0.0000000000000000, -0.0001322300000000 ] - [ 0.0000006800000000, 0.0058309600000000, -0.0158608000000000 ] - [ -0.0004619700000000, 0.0000000000000000, 0.0009031900000000 ] - [ 0.0000710400000000, -0.0001609300000000, 0.0008059700000000 ] - [ 0.0003109500000000, 0.0000000000000000, 0.0018142100000000 ] - [ 0.0003421100000000, 0.0001589800000000, 0.0011783500000000 ] - [ 0.0000116500000000, 0.0000000000000000, 0.0011681100000000 ] - [ 0.0001231400000000, 0.0001526500000000, 0.0007044900000000 ] - [ -0.0002455200000000, 0.0000000000000000, 0.0008553500000000 ] - [ -0.0000727900000000, -0.0001384600000000, 0.0005747000000000 ] - [ -0.0002407800000000, 0.0000000000000000, 0.0008862200000000 ] - [ 0.0000606700000000, -0.0000718400000000, 0.0007769000000000 ] - [ -0.0001713800000000, 0.0000000000000000, 0.0010063700000000 ] - [ 0.0001222000000000, 0.0000816800000000, 0.0009088900000000 ] - [ 0.0000286800000000, 0.0000000000000000, 0.0010823000000000 ] - [ 0.0001021400000000, 0.0000808500000000, 0.0007954000000000 ] - [ -0.0001458300000000, 0.0000000000000000, 0.0008733700000000 ] - [ 0.0001222000000000, -0.0000816800000000, 0.0009088900000000 ] - [ -0.0002028900000000, 0.0000000000000000, 0.0008587600000000 ] - [ -0.0001304800000000, -0.0000267700000000, 0.0006028400000000 ] - [ -0.0000317400000000, 0.0000000000000000, 0.0011652700000000 ] - [ 0.0002108900000000, 0.0001592200000000, 0.0008692500000000 ] - [ -0.0000031500000000, 0.0000000000000000, -0.0001162700000000 ] - [ -0.0001304800000000, 0.0000267700000000, 0.0006028400000000 ] - [ 0.0002699500000000, 0.0000000000000000, 0.0005570600000000 ] - [ 0.0002198200000000, -0.0001373000000000, 0.0007332700000000 ] - [ -0.0007666200000000, 0.0000000000000000, 0.0033479500000000 ] - [ -0.0003645200000000, 0.0000000000000000, 0.0015502700000000 ] - [ -0.0010721600000000, -0.0001842800000000, 0.0008284400000000 ] - [ -0.0010721600000000, 0.0001842800000000, 0.0008284400000000 ]- atom: 3 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0000774600000000, 0.0000000000000000, -0.0002244500000000 ] - [ -0.0018155300000000, 0.0000000000000000, 0.0006470300000000 ] - [ -0.1228562600000000, 0.0000000000000000, 0.0069561300000000 ] - [ 0.0029292400000000, 0.0000000000000000, -0.0089696200000000 ] - [ -0.0016969300000000, 0.0000000000000000, 0.0006038800000000 ] - [ 0.0013084600000000, 0.0000000000000000, 0.0006713600000000 ] - [ -0.0000245400000000, 0.0000000000000000, 0.0000711500000000 ] - [ -0.0002007200000000, 0.0000000000000000, -0.0001633500000000 ] - [ -0.0000646900000000, 0.0000000000000000, 0.0000070300000000 ] - [ 0.0000963600000000, 0.0000000000000000, -0.0000147200000000 ] - [ -0.0000079300000000, 0.0000000000000000, 0.0002151800000000 ] - [ 0.0007040200000000, 0.0000000000000000, -0.0006324400000000 ] - [ 0.0032904200000000, 0.0000000000000000, -0.0007038400000000 ] - [ 0.0011839000000000, 0.0000000000000000, 0.0007102300000000 ] - [ 0.0007496000000000, 0.0000000000000000, -0.0006169400000000 ] - [ 0.0029870200000000, 0.0000000000000000, -0.0090058300000000 ] - [ 0.0000403800000000, 0.0000000000000000, -0.0000258800000000 ] - [ 0.0002264200000000, 0.0000000000000000, 0.0000218300000000 ] - [ -0.0000024100000000, 0.0000000000000000, -0.0000737200000000 ] - [ 0.0001494400000000, 0.0000000000000000, -0.0000228000000000 ] - [ 0.0005467100000000, 0.0000000000000000, -0.0002334700000000 ] - [ -0.0001955600000000, 0.0000000000000000, -0.0001946600000000 ] - [ -0.0005703100000000, 0.0007668400000000, -0.0011309900000000 ] - [ -0.0113509200000000, 0.0000000000000000, -0.0003579800000000 ] - [ -0.0005703100000000, -0.0007668400000000, -0.0011309900000000 ] - [ 0.0167025200000000, 0.0123616000000000, -0.0014601500000000 ] - [ -0.0005366400000000, 0.0000000000000000, 0.0003765300000000 ] - [ -0.0021695800000000, 0.0000000000000000, 0.0099219300000000 ] - [ 0.0165021500000000, -0.0121736300000000, -0.0014689200000000 ] - [ 0.0001034700000000, 0.0000000000000000, -0.0002979600000000 ] - [ 0.0024329500000000, 0.0000000000000000, -0.0020276300000000 ] - [ 0.0014630600000000, 0.0000316800000000, 0.0007460200000000 ] - [ -0.0005806200000000, -0.0008941400000000, -0.0011527200000000 ] - [ -0.0112495900000000, 0.0000000000000000, -0.0004032300000000 ] - [ 0.0000495500000000, 0.0000079300000000, -0.0000226300000000 ] - [ -0.0000575100000000, 0.0000000000000000, 0.0000098900000000 ] - [ 0.0000495500000000, -0.0000079300000000, -0.0000226300000000 ] - [ 0.0001165600000000, 0.0000284300000000, -0.0000213300000000 ] - [ -0.0000477700000000, -0.0000212100000000, -0.0000522200000000 ] - [ 0.0000587700000000, 0.0000000000000000, -0.0000093300000000 ] - [ -0.0004602000000000, 0.0000000000000000, 0.0003093400000000 ] - [ 0.0003902900000000, 0.0000000000000000, 0.0001197400000000 ] - [ 0.0014647000000000, -0.0000185800000000, 0.0007506100000000 ] - [ 0.0059389000000000, 0.0000000000000000, -0.0001117800000000 ] - [ 0.0014647000000000, 0.0000185800000000, 0.0007506100000000 ] - [ 0.0165021500000000, 0.0121736300000000, -0.0014689200000000 ] - [ 0.0004897500000000, 0.0000000000000000, -0.0002470400000000 ] - [ 0.0024901000000000, 0.0000000000000000, -0.0020070800000000 ] - [ 0.0167025200000000, -0.0123616000000000, -0.0014601500000000 ] - [ 0.0000042000000000, 0.0000000000000000, 0.0003402800000000 ] - [ -0.0023358300000000, 0.0000000000000000, 0.0099272200000000 ] - [ -0.0005806200000000, 0.0008941400000000, -0.0011527200000000 ] - [ 0.0014630600000000, -0.0000316800000000, 0.0007460200000000 ] - [ 0.0060597200000000, 0.0000000000000000, -0.0001609700000000 ] - [ 0.0002471100000000, -0.0000017200000000, -0.0000083800000000 ] - [ -0.0000264000000000, 0.0000000000000000, 0.0000002800000000 ] - [ 0.0002471100000000, 0.0000017200000000, -0.0000083800000000 ] - [ -0.0000477700000000, 0.0000212100000000, -0.0000522200000000 ] - [ 0.0001165600000000, -0.0000284300000000, -0.0000213300000000 ] - [ 0.0000367100000000, 0.0000000000000000, 0.0000094300000000 ] - [ 0.0005293700000000, -0.0000769700000000, 0.0001205600000000 ] - [ 0.0015657400000000, 0.0000000000000000, 0.0031594100000000 ] - [ -0.0004482700000000, -0.0001750300000000, 0.0000367000000000 ] - [ -0.0001153800000000, 0.0000000000000000, 0.0005651600000000 ] - [ -0.0017221000000000, 0.0000000000000000, 0.0000659600000000 ] - [ 0.0113856800000000, 0.0018726100000000, -0.0020673500000000 ] - [ 0.0002583500000000, 0.0000000000000000, 0.0001563700000000 ] - [ -0.0005518600000000, 0.0001033300000000, 0.0015555900000000 ] - [ 0.0146526700000000, 0.0000000000000000, 0.0052877900000000 ] - [ 0.0113856800000000, -0.0018726100000000, -0.0020673500000000 ] - [ 0.0031510200000000, 0.0000000000000000, -0.0026620200000000 ] - [ -0.0005518600000000, -0.0001033300000000, 0.0015555900000000 ] - [ 0.0031483000000000, 0.0000000000000000, -0.0026401400000000 ] - [ -0.0008288600000000, 0.0013154300000000, -0.0024798800000000 ] - [ -0.0025660900000000, 0.0000000000000000, 0.0008267900000000 ] - [ -0.0037751400000000, 0.0006439600000000, -0.0006337800000000 ] - [ 0.0002235000000000, 0.0000000000000000, 0.0003383800000000 ] - [ -0.0004767500000000, 0.0001678300000000, 0.0015021700000000 ] - [ 0.0031248900000000, 0.0000000000000000, -0.0002044200000000 ] - [ 0.0118788300000000, 0.0025934300000000, -0.0027631600000000 ] - [ -0.0001772300000000, 0.0000000000000000, -0.0004513600000000 ] - [ 0.0000373400000000, -0.0000007400000000, 0.0000629700000000 ] - [ 0.0016252700000000, 0.0000000000000000, 0.0029517000000000 ] - [ 0.0005968500000000, 0.0002106300000000, 0.0002388800000000 ] - [ 0.0001531500000000, 0.0000000000000000, -0.0000220500000000 ] - [ -0.0001190400000000, -0.0000538400000000, -0.0001616400000000 ] - [ 0.0001523700000000, 0.0000000000000000, -0.0000255300000000 ] - [ 0.0005968500000000, -0.0002106300000000, 0.0002388800000000 ] - [ 0.0000665400000000, 0.0000000000000000, 0.0000184200000000 ] - [ 0.0000401400000000, 0.0000131200000000, -0.0000087100000000 ] - [ 0.0001119200000000, 0.0000000000000000, 0.0000123500000000 ] - [ 0.0000921200000000, 0.0000553900000000, -0.0000137200000000 ] - [ 0.0000633900000000, 0.0000000000000000, 0.0001138100000000 ] - [ 0.0000401400000000, -0.0000131200000000, -0.0000087100000000 ] - [ 0.0001806600000000, 0.0000000000000000, -0.0000347600000000 ] - [ 0.0001305800000000, -0.0000588400000000, -0.0000345200000000 ] - [ -0.0000942900000000, 0.0000000000000000, 0.0001297400000000 ] - [ 0.0000044000000000, 0.0000000000000000, -0.0000388400000000 ] - [ -0.0000214300000000, 0.0000091600000000, -0.0000883300000000 ] - [ -0.0000214300000000, -0.0000091600000000, -0.0000883300000000 ] - [ -0.0004482700000000, 0.0001750300000000, 0.0000367000000000 ] - [ -0.0013800400000000, 0.0000000000000000, 0.0002287200000000 ] - [ 0.0005293700000000, 0.0000769700000000, 0.0001205600000000 ] - [ -0.0001532200000000, 0.0000000000000000, -0.0005274400000000 ] - [ 0.0031385200000000, 0.0000000000000000, -0.0002971100000000 ] - [ -0.0038437900000000, -0.0005456500000000, -0.0006156200000000 ] - [ -0.0001666800000000, 0.0000000000000000, -0.0009388800000000 ] - [ -0.0008684900000000, -0.0014054600000000, -0.0024584800000000 ] - [ -0.0026940800000000, 0.0000000000000000, 0.0009872900000000 ] - [ -0.0038437900000000, 0.0005456500000000, -0.0006156200000000 ] - [ -0.0050167800000000, 0.0000000000000000, 0.0026011800000000 ] - [ -0.0008684900000000, 0.0014054600000000, -0.0024584800000000 ] - [ -0.0050238900000000, 0.0000000000000000, 0.0025452700000000 ] - [ -0.0004767500000000, -0.0001678300000000, 0.0015021700000000 ] - [ 0.0157950100000000, 0.0000000000000000, 0.0059829900000000 ] - [ 0.0118788300000000, -0.0025934300000000, -0.0027631600000000 ] - [ -0.0001341600000000, 0.0000000000000000, -0.0008367800000000 ] - [ -0.0008288600000000, -0.0013154300000000, -0.0024798800000000 ] - [ -0.0016370100000000, 0.0000000000000000, 0.0001194900000000 ] - [ -0.0037751400000000, -0.0006439600000000, -0.0006337800000000 ] - [ -0.0001947300000000, 0.0000000000000000, 0.0005598900000000 ] - [ -0.0001190400000000, 0.0000538400000000, -0.0001616400000000 ] - [ -0.0013633900000000, 0.0000000000000000, 0.0000267000000000 ] - [ -0.0003859500000000, -0.0000316700000000, 0.0001528600000000 ] - [ 0.0001059200000000, 0.0000000000000000, -0.0000681200000000 ] - [ 0.0000373400000000, 0.0000007400000000, 0.0000629700000000 ] - [ -0.0000912400000000, 0.0000000000000000, 0.0000829500000000 ] - [ -0.0003859500000000, 0.0000316700000000, 0.0001528600000000 ] - [ 0.0000175300000000, 0.0000000000000000, -0.0000041200000000 ] - [ -0.0000020200000000, 0.0000158700000000, 0.0000028500000000 ] - [ -0.0000607700000000, 0.0000000000000000, 0.0001013900000000 ] - [ 0.0001305800000000, 0.0000588400000000, -0.0000345200000000 ] - [ -0.0001015800000000, 0.0000000000000000, 0.0001887800000000 ] - [ -0.0000020200000000, -0.0000158700000000, 0.0000028500000000 ] - [ 0.0001405400000000, 0.0000000000000000, -0.0000564900000000 ] - [ 0.0000921200000000, -0.0000553900000000, -0.0000137200000000 ] - [ 0.0000989000000000, 0.0000000000000000, 0.0000676600000000 ] - [ 0.0000373200000000, 0.0000000000000000, 0.0000009400000000 ] - [ 0.0001006300000000, 0.0000231800000000, 0.0001109500000000 ] - [ 0.0001006300000000, -0.0000231800000000, 0.0001109500000000 ]- atom: 3 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0000122400000000, 0.0000000000000000, 0.0000689900000000 ] - [ 0.0016572100000000, 0.0000000000000000, -0.0006798300000000 ] - [ 0.1227870200000000, 0.0000000000000000, -0.0069180600000000 ] - [ -0.0031117300000000, 0.0000000000000000, 0.0091207800000000 ] - [ 0.0016847200000000, 0.0000000000000000, -0.0006348400000000 ] - [ -0.0012385000000000, 0.0000000000000000, -0.0006845800000000 ] - [ 0.0000680100000000, 0.0000000000000000, -0.0000335800000000 ] - [ 0.0002036000000000, 0.0000000000000000, 0.0001031400000000 ] - [ 0.0000147000000000, 0.0000000000000000, -0.0000831900000000 ] - [ 0.0001480100000000, 0.0000000000000000, -0.0000288800000000 ] - [ 0.0000727200000000, 0.0000000000000000, -0.0003702000000000 ] - [ -0.0008569000000000, 0.0000000000000000, 0.0005988800000000 ] - [ -0.0034074200000000, 0.0000000000000000, 0.0006860200000000 ] - [ -0.0013823000000000, 0.0000000000000000, -0.0006161100000000 ] - [ -0.0007666600000000, 0.0000000000000000, 0.0005866300000000 ] - [ -0.0029336400000000, 0.0000000000000000, 0.0089367600000000 ] - [ 0.0000028100000000, 0.0000000000000000, 0.0000636800000000 ] - [ -0.0002240900000000, 0.0000000000000000, -0.0000831100000000 ] - [ -0.0000482700000000, 0.0000000000000000, -0.0000020000000000 ] - [ 0.0000948400000000, 0.0000000000000000, -0.0000208200000000 ] - [ -0.0004270100000000, 0.0000000000000000, 0.0002005300000000 ] - [ 0.0003588100000000, 0.0000000000000000, 0.0001842800000000 ] - [ 0.0006068200000000, -0.0010646900000000, 0.0011019100000000 ] - [ 0.0110028000000000, 0.0000000000000000, 0.0004571600000000 ] - [ 0.0006068200000000, 0.0010646900000000, 0.0011019100000000 ] - [ -0.0166082100000000, -0.0120069100000000, 0.0014299200000000 ] - [ 0.0005389600000000, 0.0000000000000000, -0.0003339800000000 ] - [ 0.0020756000000000, 0.0000000000000000, -0.0098822000000000 ] - [ -0.0167376800000000, 0.0121677600000000, 0.0014589600000000 ] - [ -0.0000006800000000, 0.0000000000000000, 0.0001723800000000 ] - [ -0.0027598000000000, 0.0000000000000000, 0.0020372800000000 ] - [ -0.0014183700000000, -0.0001130700000000, -0.0007715700000000 ] - [ 0.0006249000000000, 0.0009780200000000, 0.0011336900000000 ] - [ 0.0111605300000000, 0.0000000000000000, 0.0004899300000000 ] - [ 0.0002220100000000, -0.0000356900000000, -0.0000145600000000 ] - [ -0.0000254300000000, 0.0000000000000000, -0.0000232000000000 ] - [ 0.0002220100000000, 0.0000356900000000, -0.0000145600000000 ] - [ -0.0000659700000000, -0.0000014900000000, -0.0000636700000000 ] - [ 0.0000981100000000, -0.0000056400000000, -0.0000330300000000 ] - [ 0.0000365100000000, 0.0000000000000000, -0.0000120500000000 ] - [ 0.0005771800000000, 0.0000000000000000, -0.0003420800000000 ] - [ -0.0002266400000000, 0.0000000000000000, -0.0001288500000000 ] - [ -0.0014284600000000, -0.0002813900000000, -0.0007734400000000 ] - [ -0.0062673400000000, 0.0000000000000000, 0.0002462500000000 ] - [ -0.0014284600000000, 0.0002813900000000, -0.0007734400000000 ] - [ -0.0167376800000000, -0.0121677600000000, 0.0014589600000000 ] - [ -0.0004898600000000, 0.0000000000000000, 0.0002902600000000 ] - [ -0.0025933800000000, 0.0000000000000000, 0.0020591900000000 ] - [ -0.0166082100000000, 0.0120069100000000, 0.0014299200000000 ] - [ 0.0000990300000000, 0.0000000000000000, -0.0004671400000000 ] - [ 0.0019995400000000, 0.0000000000000000, -0.0099051200000000 ] - [ 0.0006249000000000, -0.0009780200000000, 0.0011336900000000 ] - [ -0.0014183700000000, 0.0001130700000000, -0.0007715700000000 ] - [ -0.0061682900000000, 0.0000000000000000, 0.0002125800000000 ] - [ 0.0000242900000000, -0.0000259800000000, -0.0000288900000000 ] - [ -0.0000563700000000, 0.0000000000000000, -0.0000135600000000 ] - [ 0.0000242900000000, 0.0000259800000000, -0.0000288900000000 ] - [ 0.0000981100000000, 0.0000056400000000, -0.0000330300000000 ] - [ -0.0000659700000000, 0.0000014900000000, -0.0000636700000000 ] - [ 0.0000584500000000, 0.0000000000000000, -0.0000309900000000 ] - [ -0.0005789400000000, 0.0003544500000000, -0.0001337800000000 ] - [ -0.0017578500000000, 0.0000000000000000, -0.0028605400000000 ] - [ 0.0003963700000000, -0.0001030700000000, -0.0000515000000000 ] - [ 0.0000610400000000, 0.0000000000000000, -0.0005866100000000 ] - [ 0.0015672000000000, 0.0000000000000000, -0.0001450100000000 ] - [ -0.0116224100000000, -0.0020823300000000, 0.0023312000000000 ] - [ -0.0001150200000000, 0.0000000000000000, -0.0003951200000000 ] - [ 0.0004310600000000, -0.0000988400000000, -0.0015767400000000 ] - [ -0.0161414000000000, 0.0000000000000000, -0.0059739400000000 ] - [ -0.0116224100000000, 0.0020823300000000, 0.0023312000000000 ] - [ -0.0032305700000000, 0.0000000000000000, 0.0026867000000000 ] - [ 0.0004310600000000, 0.0000988400000000, -0.0015767400000000 ] - [ -0.0032204900000000, 0.0000000000000000, 0.0025753300000000 ] - [ 0.0008107700000000, -0.0014377500000000, 0.0023478400000000 ] - [ 0.0025090400000000, 0.0000000000000000, -0.0009376100000000 ] - [ 0.0037919000000000, -0.0004210600000000, 0.0006734500000000 ] - [ -0.0000963000000000, 0.0000000000000000, -0.0003123500000000 ] - [ 0.0004642900000000, -0.0000463300000000, -0.0016398800000000 ] - [ -0.0031688300000000, 0.0000000000000000, 0.0002566200000000 ] - [ -0.0117495700000000, -0.0026121800000000, 0.0026122900000000 ] - [ 0.0000092400000000, 0.0000000000000000, 0.0004896800000000 ] - [ -0.0000905300000000, 0.0000263900000000, -0.0001313200000000 ] - [ -0.0017868300000000, 0.0000000000000000, -0.0031180300000000 ] - [ -0.0005264300000000, -0.0002107500000000, -0.0000353200000000 ] - [ 0.0001064500000000, 0.0000000000000000, -0.0000397200000000 ] - [ 0.0000656700000000, 0.0000282000000000, 0.0000937700000000 ] - [ -0.0001311800000000, 0.0000000000000000, 0.0001065300000000 ] - [ -0.0005264300000000, 0.0002107500000000, -0.0000353200000000 ] - [ 0.0000191900000000, 0.0000000000000000, 0.0000018400000000 ] - [ -0.0000034000000000, 0.0000208900000000, 0.0000094700000000 ] - [ -0.0000604300000000, 0.0000000000000000, 0.0000258200000000 ] - [ 0.0001282100000000, 0.0000572100000000, -0.0000299800000000 ] - [ -0.0001001500000000, 0.0000000000000000, 0.0001368600000000 ] - [ -0.0000034000000000, -0.0000208900000000, 0.0000094700000000 ] - [ 0.0001441600000000, 0.0000000000000000, -0.0000468500000000 ] - [ 0.0000894200000000, -0.0000537000000000, -0.0000092200000000 ] - [ 0.0000704300000000, 0.0000000000000000, 0.0000928000000000 ] - [ 0.0000358400000000, 0.0000000000000000, 0.0000206500000000 ] - [ 0.0001211600000000, 0.0000418100000000, 0.0001435300000000 ] - [ 0.0001211600000000, -0.0000418100000000, 0.0001435300000000 ] - [ 0.0003963700000000, 0.0001030700000000, -0.0000515000000000 ] - [ 0.0011851900000000, 0.0000000000000000, 0.0000564100000000 ] - [ -0.0005789400000000, -0.0003544500000000, -0.0001337800000000 ] - [ 0.0001004400000000, 0.0000000000000000, 0.0005035800000000 ] - [ -0.0032837800000000, 0.0000000000000000, 0.0002212000000000 ] - [ 0.0037188400000000, 0.0005271400000000, 0.0006985800000000 ] - [ 0.0003105200000000, 0.0000000000000000, 0.0006985900000000 ] - [ 0.0007532500000000, 0.0014089300000000, 0.0024317500000000 ] - [ 0.0024048200000000, 0.0000000000000000, -0.0008193800000000 ] - [ 0.0037188400000000, -0.0005271400000000, 0.0006985800000000 ] - [ 0.0049412100000000, 0.0000000000000000, -0.0025900200000000 ] - [ 0.0007532500000000, -0.0014089300000000, 0.0024317500000000 ] - [ 0.0049475600000000, 0.0000000000000000, -0.0025967900000000 ] - [ 0.0004642900000000, 0.0000463300000000, -0.0016398800000000 ] - [ -0.0146656900000000, 0.0000000000000000, -0.0052451500000000 ] - [ -0.0117495700000000, 0.0026121800000000, 0.0026122900000000 ] - [ 0.0002609700000000, 0.0000000000000000, 0.0008648400000000 ] - [ 0.0008107700000000, 0.0014377500000000, 0.0023478400000000 ] - [ 0.0016026000000000, 0.0000000000000000, -0.0000639300000000 ] - [ 0.0037919000000000, 0.0004210600000000, 0.0006734500000000 ] - [ 0.0000282000000000, 0.0000000000000000, -0.0005234200000000 ] - [ 0.0000656700000000, -0.0000282000000000, 0.0000937700000000 ] - [ 0.0012047600000000, 0.0000000000000000, -0.0001792100000000 ] - [ 0.0004591800000000, 0.0000322700000000, 0.0000525300000000 ] - [ 0.0001537300000000, 0.0000000000000000, 0.0000065500000000 ] - [ -0.0000905300000000, -0.0000263900000000, -0.0001313200000000 ] - [ 0.0001126700000000, 0.0000000000000000, -0.0000016400000000 ] - [ 0.0004591800000000, -0.0000322700000000, 0.0000525300000000 ] - [ 0.0000684300000000, 0.0000000000000000, 0.0000243400000000 ] - [ 0.0000386800000000, 0.0000183100000000, -0.0000020800000000 ] - [ 0.0001130000000000, 0.0000000000000000, -0.0000634500000000 ] - [ 0.0000894200000000, 0.0000537000000000, -0.0000092200000000 ] - [ 0.0000644700000000, 0.0000000000000000, 0.0000618100000000 ] - [ 0.0000386800000000, -0.0000183100000000, -0.0000020800000000 ] - [ 0.0001842800000000, 0.0000000000000000, -0.0000251400000000 ] - [ 0.0001282100000000, -0.0000572100000000, -0.0000299800000000 ] - [ -0.0001223900000000, 0.0000000000000000, 0.0001550100000000 ] - [ 0.0000027600000000, 0.0000000000000000, -0.0000187600000000 ] - [ -0.0000008700000000, 0.0000278500000000, -0.0000553200000000 ] - [ -0.0000008700000000, -0.0000278500000000, -0.0000553200000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000328100000000, 0.0000054900000000, -0.0000769400000000 ] - [ -0.0000761400000000, -0.0000829900000000, -0.0000160900000000 ] - [ -0.0000806000000000, -0.0776186400000000, 0.0000302400000000 ] - [ -0.0000872900000000, -0.0066868500000000, 0.0000305300000000 ] - [ -0.0000078000000000, -0.0000893900000000, -0.0000161300000000 ] - [ 0.0000295400000000, -0.0002067200000000, -0.0000098300000000 ] - [ 0.0000224000000000, -0.0000039700000000, 0.0000194000000000 ] - [ 0.0000017000000000, -0.0000332100000000, -0.0000302500000000 ] - [ -0.0000236700000000, -0.0000061200000000, -0.0000376400000000 ] - [ 0.0001220900000000, -0.0000025100000000, -0.0000213900000000 ] - [ 0.0000329400000000, 0.0000010000000000, -0.0000768600000000 ] - [ -0.0000762600000000, -0.0003828000000000, -0.0000163300000000 ] - [ -0.0000592800000000, -0.0001758600000000, -0.0000092000000000 ] - [ -0.0000933100000000, -0.0002067900000000, 0.0000491900000000 ] - [ -0.0000071200000000, -0.0003806900000000, -0.0000155700000000 ] - [ 0.0000239800000000, -0.0066626100000000, 0.0000082100000000 ] - [ 0.0000222900000000, -0.0000045000000000, 0.0000193900000000 ] - [ 0.0000018600000000, -0.0000318400000000, -0.0000303400000000 ] - [ -0.0000237300000000, -0.0000060300000000, -0.0000375500000000 ] - [ 0.0001222600000000, -0.0000015100000000, -0.0000214200000000 ] - [ 0.0000631200000000, 0.0000836200000000, -0.0000167000000000 ] - [ 0.0000798100000000, -0.0000464200000000, -0.0000027800000000 ] - [ 0.0003893100000000, -0.0001591900000000, 0.0006406100000000 ] - [ -0.0001811900000000, 0.0178942100000000, 0.0001285600000000 ] - [ -0.0003570100000000, 0.0001437700000000, -0.0006651600000000 ] - [ 0.0133484000000000, 0.0026175500000000, 0.0030638900000000 ] - [ -0.0000024600000000, 0.0000762300000000, 0.0000192600000000 ] - [ -0.0000423300000000, -0.0006527700000000, 0.0000387800000000 ] - [ -0.0133740500000000, 0.0024238100000000, -0.0030878000000000 ] - [ 0.0000544000000000, 0.0000118600000000, -0.0000607000000000 ] - [ -0.0001692500000000, 0.0013760300000000, 0.0000046900000000 ] - [ 0.0001075000000000, -0.0000359200000000, 0.0000245500000000 ] - [ -0.0003503200000000, 0.0000435700000000, -0.0006535000000000 ] - [ -0.0000382800000000, 0.0181579600000000, -0.0000379500000000 ] - [ 0.0001396900000000, -0.0000147900000000, -0.0000129300000000 ] - [ -0.0000364400000000, 0.0000017800000000, -0.0000056400000000 ] - [ 0.0001317100000000, 0.0000144000000000, -0.0000229000000000 ] - [ 0.0000285500000000, 0.0000116100000000, -0.0000377900000000 ] - [ 0.0000195000000000, -0.0000123700000000, -0.0000460400000000 ] - [ 0.0000438000000000, 0.0000014600000000, -0.0000152800000000 ] - [ 0.0000630300000000, 0.0000649300000000, -0.0000166300000000 ] - [ 0.0000798200000000, -0.0000479800000000, -0.0000032500000000 ] - [ 0.0000970500000000, -0.0001461300000000, 0.0000215400000000 ] - [ -0.0001572600000000, 0.0002895000000000, 0.0000636500000000 ] - [ -0.0000656100000000, 0.0001560400000000, -0.0000459800000000 ] - [ 0.0132187600000000, 0.0026459700000000, 0.0030720800000000 ] - [ -0.0000025700000000, 0.0000996900000000, 0.0000194000000000 ] - [ -0.0000458200000000, 0.0013433500000000, 0.0000283100000000 ] - [ -0.0133308500000000, 0.0024759900000000, -0.0030884400000000 ] - [ 0.0000544900000000, 0.0000059400000000, -0.0000613200000000 ] - [ -0.0001734300000000, -0.0006717100000000, -0.0000066600000000 ] - [ 0.0003958400000000, -0.0000379600000000, 0.0006284100000000 ] - [ -0.0000612000000000, 0.0000463400000000, -0.0000485600000000 ] - [ -0.0000620700000000, 0.0002931100000000, 0.0000275800000000 ] - [ 0.0001391500000000, -0.0000146900000000, -0.0000142800000000 ] - [ -0.0000365800000000, 0.0000016700000000, -0.0000055500000000 ] - [ 0.0001327600000000, 0.0000144200000000, -0.0000219200000000 ] - [ 0.0000288200000000, 0.0000115200000000, -0.0000374500000000 ] - [ 0.0000198600000000, -0.0000121600000000, -0.0000453300000000 ] - [ 0.0000433900000000, 0.0000014100000000, -0.0000150300000000 ] - [ 0.0000194600000000, 0.0001164600000000, 0.0001017700000000 ] - [ -0.0001004900000000, -0.0012871200000000, 0.0001401100000000 ] - [ 0.0000377700000000, -0.0001182100000000, -0.0000821500000000 ] - [ -0.0000330200000000, -0.0000761900000000, -0.0000076600000000 ] - [ -0.0000735000000000, -0.0000238700000000, -0.0000375700000000 ] - [ 0.0003573600000000, 0.0079240600000000, -0.0027219900000000 ] - [ 0.0000773900000000, 0.0001215200000000, -0.0001179800000000 ] - [ -0.0007761300000000, 0.0000514700000000, 0.0012454100000000 ] - [ -0.0000948800000000, 0.0079193700000000, 0.0001185200000000 ] - [ -0.0008371300000000, 0.0085222500000000, 0.0032940300000000 ] - [ -0.0000613300000000, -0.0038171200000000, 0.0000043800000000 ] - [ 0.0006675000000000, 0.0000550200000000, -0.0012707100000000 ] - [ -0.0000137600000000, -0.0037897300000000, -0.0000260600000000 ] - [ -0.0000867900000000, 0.0000869900000000, -0.0002620800000000 ] - [ -0.0000224900000000, -0.0022671800000000, -0.0000540900000000 ] - [ -0.0001808200000000, 0.0001980700000000, 0.0000566000000000 ] - [ 0.0000640800000000, 0.0001067500000000, 0.0000152400000000 ] - [ -0.0007126300000000, 0.0001066500000000, 0.0011782700000000 ] - [ -0.0000121900000000, 0.0012312600000000, 0.0000255800000000 ] - [ 0.0013238800000000, 0.0093367600000000, -0.0040119000000000 ] - [ -0.0000865900000000, -0.0000130500000000, 0.0000186000000000 ] - [ -0.0000279800000000, 0.0000178100000000, -0.0000452500000000 ] - [ -0.0000829100000000, -0.0013058200000000, -0.0000813300000000 ] - [ -0.0000112600000000, -0.0000178000000000, 0.0000026300000000 ] - [ 0.0001309900000000, 0.0000004700000000, -0.0000297700000000 ] - [ -0.0000316900000000, -0.0000162100000000, -0.0000284100000000 ] - [ 0.0000134900000000, 0.0000092500000000, 0.0000398200000000 ] - [ 0.0000877000000000, -0.0000256800000000, 0.0002026600000000 ] - [ 0.0000384100000000, -0.0000011000000000, 0.0000098600000000 ] - [ 0.0000195300000000, 0.0000195000000000, 0.0000005500000000 ] - [ 0.0000249300000000, -0.0000107900000000, 0.0000151500000000 ] - [ 0.0001135800000000, 0.0000614800000000, -0.0000213000000000 ] - [ -0.0000155300000000, -0.0000096100000000, 0.0001248600000000 ] - [ 0.0000199800000000, -0.0000205400000000, -0.0000030500000000 ] - [ 0.0001614600000000, -0.0000012100000000, -0.0000403300000000 ] - [ 0.0001130400000000, -0.0000631000000000, -0.0000200700000000 ] - [ -0.0000096700000000, 0.0000054900000000, 0.0001119500000000 ] - [ 0.0000165200000000, 0.0000008200000000, -0.0000117500000000 ] - [ 0.0000439200000000, 0.0000260200000000, 0.0000417000000000 ] - [ 0.0000520000000000, -0.0000286700000000, 0.0000185600000000 ] - [ -0.0000890000000000, 0.0001431900000000, 0.0000799400000000 ] - [ -0.0001037300000000, 0.0000253000000000, 0.0001389800000000 ] - [ -0.0000710900000000, -0.0001441000000000, -0.0001037700000000 ] - [ -0.0000327100000000, -0.0000112400000000, -0.0000075900000000 ] - [ -0.0000772000000000, 0.0012494100000000, -0.0000369900000000 ] - [ 0.0001274700000000, 0.0000758700000000, 0.0000095500000000 ] - [ 0.0000779600000000, 0.0000260900000000, -0.0001179900000000 ] - [ 0.0000220700000000, 0.0001493300000000, 0.0001865500000000 ] - [ -0.0001502800000000, -0.0022950400000000, 0.0000852100000000 ] - [ -0.0002560800000000, 0.0000887000000000, 0.0000749900000000 ] - [ -0.0000415600000000, 0.0023226200000000, 0.0000109300000000 ] - [ -0.0001289000000000, 0.0001478600000000, -0.0002105800000000 ] - [ -0.0000339300000000, 0.0023761200000000, -0.0000320200000000 ] - [ 0.0006913800000000, -0.0000095800000000, -0.0013172700000000 ] - [ -0.0000778200000000, 0.0078957800000000, -0.0000874800000000 ] - [ -0.0009268800000000, 0.0089547700000000, 0.0035336800000000 ] - [ 0.0000639000000000, 0.0000222500000000, 0.0000155300000000 ] - [ 0.0000629000000000, 0.0001982400000000, 0.0001226400000000 ] - [ -0.0000158300000000, -0.0000247200000000, 0.0000264900000000 ] - [ 0.0001998100000000, -0.0000312300000000, -0.0000204900000000 ] - [ -0.0000866900000000, -0.0000899600000000, 0.0000186700000000 ] - [ -0.0000251100000000, 0.0000169700000000, -0.0000435500000000 ] - [ -0.0000790300000000, 0.0000246700000000, -0.0000804200000000 ] - [ 0.0001026500000000, 0.0000035000000000, 0.0000251200000000 ] - [ 0.0001312000000000, 0.0000003800000000, -0.0000294400000000 ] - [ -0.0000292000000000, -0.0000145300000000, -0.0000263200000000 ] - [ 0.0000135700000000, 0.0000044000000000, 0.0000397600000000 ] - [ -0.0000261500000000, -0.0000036200000000, 0.0001807400000000 ] - [ 0.0000387100000000, -0.0000010500000000, 0.0000098100000000 ] - [ 0.0000192500000000, 0.0000197500000000, 0.0000001100000000 ] - [ 0.0000255300000000, -0.0000051500000000, 0.0000153400000000 ] - [ 0.0001128800000000, 0.0000619400000000, -0.0000214600000000 ] - [ -0.0000153700000000, -0.0000044500000000, 0.0001245900000000 ] - [ 0.0000199500000000, -0.0000205700000000, -0.0000026200000000 ] - [ 0.0001613800000000, -0.0000015200000000, -0.0000402700000000 ] - [ 0.0001131500000000, -0.0000625000000000, -0.0000207200000000 ] - [ -0.0000099900000000, 0.0000085200000000, 0.0001121900000000 ] - [ 0.0000162200000000, 0.0000006300000000, -0.0000119800000000 ] - [ 0.0000464400000000, 0.0000270600000000, 0.0000414100000000 ] - [ 0.0000492200000000, -0.0000276500000000, 0.0000187800000000 ]- atom: 3 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0000645200000000, 0.0000000000000000, 0.0009452400000000 ] - [ 0.0002071300000000, 0.0000000000000000, 0.0009488400000000 ] - [ -0.0105882900000000, 0.0000000000000000, -0.0809198000000000 ] - [ -0.0092540900000000, 0.0000000000000000, 0.0070721600000000 ] - [ 0.0003740600000000, 0.0000000000000000, 0.0009349400000000 ] - [ 0.0007712400000000, 0.0000000000000000, -0.0008445000000000 ] - [ 0.0000729400000000, 0.0000000000000000, 0.0008688000000000 ] - [ -0.0000479400000000, 0.0000000000000000, 0.0010990200000000 ] - [ 0.0000396700000000, 0.0000000000000000, 0.0008187100000000 ] - [ 0.0001620200000000, 0.0000000000000000, 0.0009913400000000 ] - [ 0.0000815200000000, 0.0000000000000000, 0.0007896400000000 ] - [ -0.0006693900000000, 0.0000000000000000, 0.0005419100000000 ] - [ -0.0002594700000000, 0.0000000000000000, -0.0038977800000000 ] - [ 0.0006403100000000, 0.0000000000000000, -0.0008046900000000 ] - [ -0.0004911800000000, 0.0000000000000000, 0.0005459200000000 ] - [ -0.0088859900000000, 0.0000000000000000, 0.0069007800000000 ] - [ -0.0000140200000000, 0.0000000000000000, 0.0008899400000000 ] - [ 0.0000722500000000, 0.0000000000000000, 0.0008333800000000 ] - [ -0.0000574300000000, 0.0000000000000000, 0.0008508100000000 ] - [ 0.0001456500000000, 0.0000000000000000, 0.0009646800000000 ] - [ -0.0002604900000000, 0.0000000000000000, 0.0012607600000000 ] - [ 0.0000379200000000, 0.0000000000000000, 0.0017231500000000 ] - [ -0.0007626200000000, 0.0004529300000000, 0.0021938800000000 ] - [ 0.0037505100000000, 0.0000000000000000, 0.0015960200000000 ] - [ -0.0007626200000000, -0.0004529300000000, 0.0021938800000000 ] - [ 0.0004273400000000, 0.0051826200000000, -0.0140687700000000 ] - [ 0.0003610000000000, 0.0000000000000000, 0.0016526400000000 ] - [ 0.0042536400000000, 0.0000000000000000, 0.0073777300000000 ] - [ 0.0004997200000000, -0.0052090500000000, -0.0140576400000000 ] - [ -0.0000877700000000, 0.0000000000000000, 0.0015019100000000 ] - [ -0.0018330700000000, 0.0000000000000000, -0.0003078800000000 ] - [ 0.0007435900000000, 0.0000465800000000, 0.0007866000000000 ] - [ -0.0008434600000000, -0.0004359700000000, 0.0021835200000000 ] - [ 0.0038135400000000, 0.0000000000000000, 0.0015055600000000 ] - [ 0.0001772800000000, -0.0000865000000000, 0.0013824300000000 ] - [ -0.0000569700000000, 0.0000000000000000, 0.0014480200000000 ] - [ 0.0001772800000000, 0.0000865000000000, 0.0013824300000000 ] - [ 0.0000454900000000, -0.0000467300000000, 0.0012748600000000 ] - [ 0.0000734400000000, 0.0000452800000000, 0.0013801300000000 ] - [ -0.0000121700000000, 0.0000000000000000, 0.0014069800000000 ] - [ 0.0004023600000000, 0.0000000000000000, 0.0015458600000000 ] - [ 0.0001787400000000, 0.0000000000000000, 0.0013409300000000 ] - [ 0.0008012900000000, 0.0000562100000000, 0.0008067900000000 ] - [ 0.0011527100000000, 0.0000000000000000, -0.0014533700000000 ] - [ 0.0008012900000000, -0.0000562100000000, 0.0008067900000000 ] - [ 0.0004997200000000, 0.0052090500000000, -0.0140576400000000 ] - [ -0.0003236200000000, 0.0000000000000000, 0.0013183700000000 ] - [ -0.0016642200000000, 0.0000000000000000, -0.0003001100000000 ] - [ 0.0004273400000000, -0.0051826200000000, -0.0140687700000000 ] - [ 0.0001214400000000, 0.0000000000000000, 0.0012955600000000 ] - [ 0.0042586400000000, 0.0000000000000000, 0.0075066000000000 ] - [ -0.0008434600000000, 0.0004359700000000, 0.0021835200000000 ] - [ 0.0007435900000000, -0.0000465800000000, 0.0007866000000000 ] - [ 0.0012476800000000, 0.0000000000000000, -0.0015034900000000 ] - [ 0.0001574500000000, -0.0000624300000000, 0.0012882600000000 ] - [ -0.0001029300000000, 0.0000000000000000, 0.0014358600000000 ] - [ 0.0001574500000000, 0.0000624300000000, 0.0012882600000000 ] - [ 0.0000734400000000, -0.0000452800000000, 0.0013801300000000 ] - [ 0.0000454900000000, 0.0000467300000000, 0.0012748600000000 ] - [ 0.0000252200000000, 0.0000000000000000, 0.0014252800000000 ] - [ -0.0003202300000000, 0.0001192900000000, -0.0012411400000000 ] - [ -0.0004356300000000, 0.0000000000000000, -0.0016873800000000 ] - [ 0.0000683800000000, -0.0001155100000000, -0.0006421700000000 ] - [ 0.0003380100000000, 0.0000000000000000, -0.0010336800000000 ] - [ -0.0002258100000000, 0.0000000000000000, 0.0001028400000000 ] - [ 0.0008007500000000, -0.0037117200000000, 0.0142184500000000 ] - [ 0.0004969000000000, 0.0000000000000000, -0.0013202100000000 ] - [ 0.0011037900000000, 0.0001852300000000, -0.0005157300000000 ] - [ 0.0052037600000000, 0.0000000000000000, 0.0169221800000000 ] - [ 0.0008007500000000, 0.0037117200000000, 0.0142184500000000 ] - [ -0.0026352900000000, 0.0000000000000000, 0.0048590300000000 ] - [ 0.0011037900000000, -0.0001852300000000, -0.0005157300000000 ] - [ -0.0026039600000000, 0.0000000000000000, 0.0047594100000000 ] - [ -0.0010803200000000, 0.0007975600000000, -0.0009364900000000 ] - [ 0.0022196800000000, 0.0000000000000000, 0.0029178400000000 ] - [ -0.0014806700000000, 0.0009455100000000, 0.0018050000000000 ] - [ 0.0004900900000000, 0.0000000000000000, -0.0014174800000000 ] - [ 0.0011248300000000, 0.0002165300000000, -0.0005865200000000 ] - [ 0.0006233600000000, 0.0000000000000000, -0.0032384900000000 ] - [ 0.0006676900000000, -0.0041838100000000, 0.0144670000000000 ] - [ -0.0002583800000000, 0.0000000000000000, -0.0006469600000000 ] - [ -0.0001080200000000, 0.0001123900000000, -0.0009127100000000 ] - [ -0.0004213100000000, 0.0000000000000000, -0.0019048000000000 ] - [ -0.0002887600000000, -0.0000474900000000, -0.0010563500000000 ] - [ 0.0001822200000000, 0.0000000000000000, -0.0012353300000000 ] - [ -0.0001582600000000, -0.0001043500000000, -0.0008138700000000 ] - [ 0.0001053000000000, 0.0000000000000000, -0.0008667300000000 ] - [ -0.0002887600000000, 0.0000474900000000, -0.0010563500000000 ] - [ 0.0001967400000000, 0.0000000000000000, -0.0008662600000000 ] - [ -0.0001079400000000, 0.0001107400000000, -0.0008444600000000 ] - [ 0.0000245900000000, 0.0000000000000000, -0.0012263300000000 ] - [ 0.0000237100000000, -0.0000229800000000, -0.0008344000000000 ] - [ -0.0000340900000000, 0.0000000000000000, -0.0010584800000000 ] - [ -0.0001079400000000, -0.0001107400000000, -0.0008444600000000 ] - [ 0.0003172000000000, 0.0000000000000000, -0.0009177800000000 ] - [ -0.0000176100000000, 0.0000338600000000, -0.0008629200000000 ] - [ 0.0000901400000000, 0.0000000000000000, -0.0007554800000000 ] - [ 0.0000708900000000, 0.0000000000000000, -0.0011675200000000 ] - [ -0.0000529100000000, 0.0000161600000000, -0.0007912100000000 ] - [ -0.0000529100000000, -0.0000161600000000, -0.0007912100000000 ] - [ 0.0000683800000000, 0.0001155100000000, -0.0006421700000000 ] - [ -0.0002883700000000, 0.0000000000000000, 0.0005028500000000 ] - [ -0.0003202300000000, -0.0001192900000000, -0.0012411400000000 ] - [ -0.0002519800000000, 0.0000000000000000, -0.0007590000000000 ] - [ 0.0005405800000000, 0.0000000000000000, -0.0033191100000000 ] - [ -0.0015469500000000, -0.0008320000000000, 0.0018282600000000 ] - [ -0.0001691700000000, 0.0000000000000000, -0.0010269700000000 ] - [ -0.0011206100000000, -0.0008596100000000, -0.0008877500000000 ] - [ 0.0021143000000000, 0.0000000000000000, 0.0030264500000000 ] - [ -0.0015469500000000, 0.0008320000000000, 0.0018282600000000 ] - [ 0.0010715500000000, 0.0000000000000000, 0.0037532900000000 ] - [ -0.0011206100000000, 0.0008596100000000, -0.0008877500000000 ] - [ 0.0011096100000000, 0.0000000000000000, 0.0037078200000000 ] - [ 0.0011248300000000, -0.0002165300000000, -0.0005865200000000 ] - [ 0.0059467800000000, 0.0000000000000000, 0.0171871700000000 ] - [ 0.0006676900000000, 0.0041838100000000, 0.0144670000000000 ] - [ -0.0001360700000000, 0.0000000000000000, -0.0011061100000000 ] - [ -0.0010803200000000, -0.0007975600000000, -0.0009364900000000 ] - [ -0.0001507300000000, 0.0000000000000000, 0.0001610400000000 ] - [ -0.0014806700000000, -0.0009455100000000, 0.0018050000000000 ] - [ 0.0003370600000000, 0.0000000000000000, -0.0009157400000000 ] - [ -0.0001582600000000, 0.0001043500000000, -0.0008138700000000 ] - [ -0.0002672900000000, 0.0000000000000000, 0.0003034900000000 ] - [ 0.0001109600000000, -0.0000302900000000, -0.0004669100000000 ] - [ 0.0001843900000000, 0.0000000000000000, -0.0011967200000000 ] - [ -0.0001080200000000, -0.0001123900000000, -0.0009127100000000 ] - [ 0.0002377900000000, 0.0000000000000000, -0.0007942400000000 ] - [ 0.0001109600000000, 0.0000302900000000, -0.0004669100000000 ] - [ 0.0001917200000000, 0.0000000000000000, -0.0008319600000000 ] - [ -0.0000624500000000, 0.0001049100000000, -0.0008172500000000 ] - [ 0.0001162400000000, 0.0000000000000000, -0.0010735100000000 ] - [ -0.0000176100000000, -0.0000338600000000, -0.0008629200000000 ] - [ 0.0000701000000000, 0.0000000000000000, -0.0009354900000000 ] - [ -0.0000624500000000, -0.0001049100000000, -0.0008172500000000 ] - [ 0.0003125000000000, 0.0000000000000000, -0.0008800700000000 ] - [ 0.0000237100000000, 0.0000229800000000, -0.0008344000000000 ] - [ -0.0000323400000000, 0.0000000000000000, -0.0008591000000000 ] - [ 0.0000722500000000, 0.0000000000000000, -0.0012187100000000 ] - [ 0.0000000700000000, 0.0000170500000000, -0.0009036400000000 ] - [ 0.0000000700000000, -0.0000170500000000, -0.0009036400000000 ]- atom: 3 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0001299200000000, 0.0000000000000000, -0.0010971700000000 ] - [ -0.0003610600000000, 0.0000000000000000, -0.0009825100000000 ] - [ 0.0104733300000000, 0.0000000000000000, 0.0807253400000000 ] - [ 0.0089343900000000, 0.0000000000000000, -0.0069214300000000 ] - [ -0.0003899300000000, 0.0000000000000000, -0.0009618200000000 ] - [ -0.0007040900000000, 0.0000000000000000, 0.0008425800000000 ] - [ -0.0000292000000000, 0.0000000000000000, -0.0008298600000000 ] - [ 0.0000517600000000, 0.0000000000000000, -0.0011588600000000 ] - [ -0.0000895600000000, 0.0000000000000000, -0.0008931400000000 ] - [ 0.0000827000000000, 0.0000000000000000, -0.0010325200000000 ] - [ -0.0000152700000000, 0.0000000000000000, -0.0009436400000000 ] - [ 0.0005124900000000, 0.0000000000000000, -0.0005770700000000 ] - [ 0.0001424300000000, 0.0000000000000000, 0.0038812100000000 ] - [ -0.0008353000000000, 0.0000000000000000, 0.0008898200000000 ] - [ 0.0004787100000000, 0.0000000000000000, -0.0005715500000000 ] - [ 0.0090763200000000, 0.0000000000000000, -0.0069679800000000 ] - [ 0.0000580600000000, 0.0000000000000000, -0.0008510900000000 ] - [ -0.0000695600000000, 0.0000000000000000, -0.0008919200000000 ] - [ 0.0000068600000000, 0.0000000000000000, -0.0009249200000000 ] - [ 0.0000990000000000, 0.0000000000000000, -0.0010062000000000 ] - [ 0.0003775900000000, 0.0000000000000000, -0.0012927800000000 ] - [ 0.0001249100000000, 0.0000000000000000, -0.0017315600000000 ] - [ 0.0007915000000000, -0.0007377200000000, -0.0022142100000000 ] - [ -0.0040985800000000, 0.0000000000000000, -0.0014827700000000 ] - [ 0.0007915000000000, 0.0007377200000000, -0.0022142100000000 ] - [ -0.0005500200000000, -0.0050313200000000, 0.0140283900000000 ] - [ -0.0003635400000000, 0.0000000000000000, -0.0016104500000000 ] - [ -0.0044327300000000, 0.0000000000000000, -0.0073780700000000 ] - [ -0.0005186600000000, 0.0050017100000000, 0.0140598000000000 ] - [ 0.0001921000000000, 0.0000000000000000, -0.0016276100000000 ] - [ 0.0015005300000000, 0.0000000000000000, 0.0003084000000000 ] - [ -0.0007006300000000, -0.0001293300000000, -0.0008052600000000 ] - [ 0.0008968100000000, 0.0005329000000000, -0.0022086700000000 ] - [ -0.0039025600000000, 0.0000000000000000, -0.0014281300000000 ] - [ 0.0000943200000000, 0.0000584800000000, -0.0014183700000000 ] - [ -0.0000251000000000, 0.0000000000000000, -0.0014600600000000 ] - [ 0.0000943200000000, -0.0000584800000000, -0.0014183700000000 ] - [ 0.0000055700000000, 0.0000742100000000, -0.0013588500000000 ] - [ -0.0000221700000000, -0.0000727500000000, -0.0014634800000000 ] - [ 0.0001071800000000, 0.0000000000000000, -0.0014274300000000 ] - [ -0.0002811600000000, 0.0000000000000000, -0.0015751000000000 ] - [ -0.0000148400000000, 0.0000000000000000, -0.0013510600000000 ] - [ -0.0007627400000000, -0.0003552700000000, -0.0008336800000000 ] - [ -0.0014705900000000, 0.0000000000000000, 0.0015734700000000 ] - [ -0.0007627400000000, 0.0003552700000000, -0.0008336800000000 ] - [ -0.0005186600000000, -0.0050017100000000, 0.0140598000000000 ] - [ 0.0003256400000000, 0.0000000000000000, -0.0012728400000000 ] - [ 0.0015671100000000, 0.0000000000000000, 0.0003642000000000 ] - [ -0.0005500200000000, 0.0050313200000000, 0.0140283900000000 ] - [ -0.0000184000000000, 0.0000000000000000, -0.0014188600000000 ] - [ -0.0045078900000000, 0.0000000000000000, -0.0074403500000000 ] - [ 0.0008968100000000, -0.0005329000000000, -0.0022086700000000 ] - [ -0.0007006300000000, 0.0001293300000000, -0.0008052600000000 ] - [ -0.0013677500000000, 0.0000000000000000, 0.0015720000000000 ] - [ 0.0001143900000000, 0.0000344000000000, -0.0013235100000000 ] - [ 0.0000203300000000, 0.0000000000000000, -0.0014476400000000 ] - [ 0.0001143900000000, -0.0000344000000000, -0.0013235100000000 ] - [ -0.0000221700000000, 0.0000727500000000, -0.0014634800000000 ] - [ 0.0000055700000000, -0.0000742100000000, -0.0013588500000000 ] - [ 0.0000691500000000, 0.0000000000000000, -0.0014456300000000 ] - [ 0.0002681400000000, 0.0001536800000000, 0.0012270700000000 ] - [ 0.0002441800000000, 0.0000000000000000, 0.0019955400000000 ] - [ -0.0001183400000000, -0.0001598500000000, 0.0006312700000000 ] - [ -0.0003912200000000, 0.0000000000000000, 0.0010129900000000 ] - [ 0.0000677600000000, 0.0000000000000000, -0.0001765400000000 ] - [ -0.0011192700000000, 0.0033974800000000, -0.0138797800000000 ] - [ -0.0003490400000000, 0.0000000000000000, 0.0010771800000000 ] - [ -0.0012147600000000, -0.0001749800000000, 0.0005011100000000 ] - [ -0.0062446400000000, 0.0000000000000000, -0.0172294800000000 ] - [ -0.0011192700000000, -0.0033974800000000, -0.0138797800000000 ] - [ 0.0025452900000000, 0.0000000000000000, -0.0048302800000000 ] - [ -0.0012147600000000, 0.0001749800000000, 0.0005011100000000 ] - [ 0.0025418800000000, 0.0000000000000000, -0.0048259000000000 ] - [ 0.0010668100000000, -0.0009191300000000, 0.0007990100000000 ] - [ -0.0022697100000000, 0.0000000000000000, -0.0030179800000000 ] - [ 0.0014970400000000, -0.0007194000000000, -0.0017711500000000 ] - [ -0.0003660000000000, 0.0000000000000000, 0.0014496400000000 ] - [ -0.0011456300000000, -0.0000988000000000, 0.0004459400000000 ] - [ -0.0006633300000000, 0.0000000000000000, 0.0033307500000000 ] - [ -0.0004467900000000, 0.0042682000000000, -0.0146806100000000 ] - [ 0.0000916500000000, 0.0000000000000000, 0.0006834400000000 ] - [ 0.0000555700000000, -0.0000860900000000, 0.0008468400000000 ] - [ 0.0002569500000000, 0.0000000000000000, 0.0017315200000000 ] - [ 0.0003621300000000, 0.0000466100000000, 0.0012641500000000 ] - [ 0.0000796800000000, 0.0000000000000000, 0.0011756600000000 ] - [ 0.0001060300000000, 0.0000776700000000, 0.0007472700000000 ] - [ -0.0000827100000000, 0.0000000000000000, 0.0009511800000000 ] - [ 0.0003621300000000, -0.0000466100000000, 0.0012641500000000 ] - [ -0.0001124100000000, 0.0000000000000000, 0.0008862500000000 ] - [ 0.0001457200000000, -0.0000740000000000, 0.0008479100000000 ] - [ 0.0000260600000000, 0.0000000000000000, 0.0012658300000000 ] - [ 0.0001960100000000, 0.0001376800000000, 0.0007916900000000 ] - [ -0.0000014100000000, 0.0000000000000000, 0.0013104000000000 ] - [ 0.0001457200000000, 0.0000740000000000, 0.0008479100000000 ] - [ 0.0000094000000000, 0.0000000000000000, 0.0008403600000000 ] - [ 0.0002373600000000, -0.0001486800000000, 0.0008202300000000 ] - [ -0.0001114700000000, 0.0000000000000000, 0.0009795400000000 ] - [ -0.0000333300000000, 0.0000000000000000, 0.0011492800000000 ] - [ 0.0001503700000000, 0.0000352600000000, 0.0008496800000000 ] - [ 0.0001503700000000, -0.0000352600000000, 0.0008496800000000 ] - [ -0.0001183400000000, 0.0001598500000000, 0.0006312700000000 ] - [ 0.0000916100000000, 0.0000000000000000, -0.0002059900000000 ] - [ 0.0002681400000000, -0.0001536800000000, 0.0012270700000000 ] - [ 0.0001961900000000, 0.0000000000000000, 0.0007382500000000 ] - [ -0.0006921200000000, 0.0000000000000000, 0.0032070300000000 ] - [ 0.0014224200000000, 0.0008158900000000, -0.0017368900000000 ] - [ 0.0003115400000000, 0.0000000000000000, 0.0007885200000000 ] - [ 0.0010025000000000, 0.0008657800000000, 0.0008700500000000 ] - [ -0.0024105500000000, 0.0000000000000000, -0.0028672200000000 ] - [ 0.0014224200000000, -0.0008158900000000, -0.0017368900000000 ] - [ -0.0011584600000000, 0.0000000000000000, -0.0037309600000000 ] - [ 0.0010025000000000, -0.0008657800000000, 0.0008700500000000 ] - [ -0.0011736900000000, 0.0000000000000000, -0.0037683600000000 ] - [ -0.0011456300000000, 0.0000988000000000, 0.0004459400000000 ] - [ -0.0052577000000000, 0.0000000000000000, -0.0168202200000000 ] - [ -0.0004467900000000, -0.0042682000000000, -0.0146806100000000 ] - [ 0.0002651000000000, 0.0000000000000000, 0.0011330600000000 ] - [ 0.0010668100000000, 0.0009191300000000, 0.0007990100000000 ] - [ 0.0001174800000000, 0.0000000000000000, -0.0001078000000000 ] - [ 0.0014970400000000, 0.0007194000000000, -0.0017711500000000 ] - [ -0.0005064800000000, 0.0000000000000000, 0.0009527300000000 ] - [ 0.0001060300000000, -0.0000776700000000, 0.0007472700000000 ] - [ 0.0001085500000000, 0.0000000000000000, -0.0004651200000000 ] - [ -0.0000394700000000, 0.0000316400000000, 0.0006715500000000 ] - [ 0.0000778000000000, 0.0000000000000000, 0.0011370200000000 ] - [ 0.0000555700000000, 0.0000860900000000, 0.0008468400000000 ] - [ -0.0002165400000000, 0.0000000000000000, 0.0008785000000000 ] - [ -0.0000394700000000, -0.0000316400000000, 0.0006715500000000 ] - [ -0.0001068900000000, 0.0000000000000000, 0.0008516100000000 ] - [ 0.0001004700000000, -0.0000681400000000, 0.0008207100000000 ] - [ -0.0000657600000000, 0.0000000000000000, 0.0011118000000000 ] - [ 0.0002373600000000, 0.0001486800000000, 0.0008202300000000 ] - [ -0.0001050300000000, 0.0000000000000000, 0.0011881300000000 ] - [ 0.0001004700000000, 0.0000681400000000, 0.0008207100000000 ] - [ 0.0000137700000000, 0.0000000000000000, 0.0008029500000000 ] - [ 0.0001960100000000, -0.0001376800000000, 0.0007916900000000 ] - [ 0.0000098700000000, 0.0000000000000000, 0.0010825400000000 ] - [ -0.0000346100000000, 0.0000000000000000, 0.0012003700000000 ] - [ 0.0000977700000000, 0.0000343200000000, 0.0009611600000000 ] - [ 0.0000977700000000, -0.0000343200000000, 0.0009611600000000 ]- atom: 4 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0002690300000000, 0.0000000000000000, 0.0000511000000000 ] - [ 0.0011335400000000, 0.0000000000000000, 0.0006299700000000 ] - [ 0.0029558000000000, 0.0000000000000000, -0.0096618000000000 ] - [ -0.0819566800000000, 0.0000000000000000, -0.0066657800000000 ] - [ -0.0002106500000000, 0.0000000000000000, -0.0000326400000000 ] - [ -0.0011123100000000, 0.0000000000000000, 0.0006043800000000 ] - [ -0.0000072200000000, 0.0000000000000000, 0.0000690600000000 ] - [ 0.0000032500000000, 0.0000000000000000, -0.0000282300000000 ] - [ 0.0002279300000000, 0.0000000000000000, -0.0000363500000000 ] - [ 0.0001173300000000, 0.0000000000000000, 0.0000620300000000 ] - [ 0.0004872300000000, 0.0000000000000000, -0.0000395400000000 ] - [ 0.0028090900000000, 0.0000000000000000, -0.0096595500000000 ] - [ 0.0012249700000000, 0.0000000000000000, 0.0005475000000000 ] - [ 0.0022378700000000, 0.0000000000000000, -0.0006973400000000 ] - [ 0.0002188500000000, 0.0000000000000000, 0.0000261700000000 ] - [ 0.0005150000000000, 0.0000000000000000, -0.0005116600000000 ] - [ 0.0000530200000000, 0.0000000000000000, 0.0000421300000000 ] - [ -0.0000085600000000, 0.0000000000000000, 0.0000544900000000 ] - [ -0.0002566900000000, 0.0000000000000000, -0.0000091500000000 ] - [ 0.0001165400000000, 0.0000000000000000, -0.0000192900000000 ] - [ -0.0000610400000000, 0.0000000000000000, -0.0014812200000000 ] - [ -0.0014597900000000, 0.0000000000000000, 0.0008199800000000 ] - [ -0.0095380300000000, 0.0068729800000000, 0.0070622400000000 ] - [ 0.0034129100000000, 0.0000000000000000, 0.0002962100000000 ] - [ -0.0095380300000000, -0.0068729800000000, 0.0070622400000000 ] - [ 0.0031137300000000, 0.0007202100000000, -0.0009507100000000 ] - [ -0.0001124400000000, 0.0000000000000000, 0.0000708700000000 ] - [ -0.0005040100000000, 0.0000000000000000, 0.0001399500000000 ] - [ -0.0095950400000000, -0.0073743700000000, 0.0071703100000000 ] - [ 0.0000924400000000, 0.0000000000000000, -0.0000427800000000 ] - [ 0.0033671400000000, 0.0000000000000000, 0.0002382000000000 ] - [ -0.0001528800000000, -0.0000715600000000, 0.0003236000000000 ] - [ 0.0001296800000000, -0.0000488200000000, -0.0001854700000000 ] - [ -0.0000538200000000, 0.0000000000000000, -0.0016609400000000 ] - [ 0.0001395000000000, -0.0000157500000000, 0.0000404100000000 ] - [ 0.0001132600000000, 0.0000000000000000, 0.0000634700000000 ] - [ 0.0001395000000000, 0.0000157500000000, 0.0000404100000000 ] - [ 0.0000793500000000, 0.0000498900000000, -0.0002344100000000 ] - [ -0.0001068900000000, -0.0000486200000000, 0.0003021100000000 ] - [ 0.0000883100000000, 0.0000000000000000, -0.0000063700000000 ] - [ 0.0016514000000000, 0.0000000000000000, 0.0015460900000000 ] - [ 0.0006949900000000, 0.0000000000000000, -0.0006865100000000 ] - [ 0.0030097700000000, 0.0004942900000000, -0.0008932700000000 ] - [ 0.0119382900000000, 0.0000000000000000, -0.0001966000000000 ] - [ 0.0030097700000000, -0.0004942900000000, -0.0008932700000000 ] - [ -0.0095950400000000, 0.0073743700000000, 0.0071703100000000 ] - [ 0.0001354200000000, 0.0000000000000000, 0.0000963000000000 ] - [ 0.0006135900000000, 0.0000000000000000, 0.0001178900000000 ] - [ 0.0031137300000000, -0.0007202100000000, -0.0009507100000000 ] - [ 0.0000107000000000, 0.0000000000000000, 0.0000417700000000 ] - [ 0.0119835100000000, 0.0000000000000000, -0.0000512400000000 ] - [ 0.0001296800000000, 0.0000488200000000, -0.0001854700000000 ] - [ -0.0001528800000000, 0.0000715600000000, 0.0003236000000000 ] - [ 0.0017437700000000, 0.0000000000000000, 0.0018426300000000 ] - [ 0.0001317300000000, -0.0000148500000000, 0.0000408800000000 ] - [ -0.0001668800000000, 0.0000000000000000, 0.0000484200000000 ] - [ 0.0001317300000000, 0.0000148500000000, 0.0000408800000000 ] - [ -0.0001068900000000, 0.0000486200000000, 0.0003021100000000 ] - [ 0.0000793500000000, -0.0000498900000000, -0.0002344100000000 ] - [ 0.0000068800000000, 0.0000000000000000, 0.0001089900000000 ] - [ -0.0006617400000000, -0.0006881400000000, -0.0022065600000000 ] - [ 0.0019629400000000, 0.0000000000000000, -0.0021634300000000 ] - [ -0.0004540700000000, -0.0000763600000000, 0.0011956300000000 ] - [ 0.0020996400000000, 0.0000000000000000, 0.0017196600000000 ] - [ -0.0028690400000000, 0.0000000000000000, 0.0007431900000000 ] - [ 0.0126130100000000, -0.0038234600000000, -0.0016855400000000 ] - [ 0.0032678500000000, 0.0000000000000000, -0.0001183100000000 ] - [ 0.0121367100000000, 0.0029165100000000, -0.0010480400000000 ] - [ 0.0027794900000000, 0.0000000000000000, 0.0001323900000000 ] - [ 0.0126130100000000, 0.0038234600000000, -0.0016855400000000 ] - [ -0.0028204100000000, 0.0000000000000000, 0.0007790100000000 ] - [ 0.0121367100000000, -0.0029165100000000, -0.0010480400000000 ] - [ 0.0019508800000000, 0.0000000000000000, 0.0016269900000000 ] - [ 0.0003411800000000, -0.0000404500000000, -0.0001205600000000 ] - [ 0.0020338900000000, 0.0000000000000000, -0.0023483200000000 ] - [ -0.0007440000000000, 0.0008926700000000, -0.0021628200000000 ] - [ 0.0000166900000000, 0.0000000000000000, 0.0000185900000000 ] - [ -0.0002713500000000, 0.0000381400000000, 0.0000242000000000 ] - [ 0.0001587300000000, 0.0000000000000000, 0.0001789200000000 ] - [ -0.0004717000000000, -0.0002353300000000, 0.0011808200000000 ] - [ 0.0000169700000000, 0.0000000000000000, -0.0000803800000000 ] - [ -0.0000409200000000, 0.0000155200000000, -0.0000511200000000 ] - [ -0.0000301400000000, 0.0000000000000000, 0.0004154800000000 ] - [ 0.0001107600000000, 0.0000241000000000, 0.0001404100000000 ] - [ 0.0001112000000000, 0.0000000000000000, -0.0000920000000000 ] - [ -0.0000197500000000, -0.0000158700000000, -0.0000860400000000 ] - [ 0.0000389200000000, 0.0000000000000000, 0.0000046500000000 ] - [ 0.0001107600000000, -0.0000241000000000, 0.0001404100000000 ] - [ 0.0000211300000000, 0.0000000000000000, -0.0000275500000000 ] - [ -0.0000894400000000, 0.0000269800000000, -0.0001163300000000 ] - [ 0.0000447100000000, 0.0000000000000000, -0.0000185000000000 ] - [ 0.0001005100000000, 0.0000534900000000, -0.0000357200000000 ] - [ -0.0001808400000000, 0.0000000000000000, -0.0003597600000000 ] - [ -0.0000894400000000, -0.0000269800000000, -0.0001163300000000 ] - [ 0.0002465200000000, 0.0000000000000000, -0.0001418900000000 ] - [ 0.0001130800000000, -0.0000488300000000, -0.0000769500000000 ] - [ 0.0001628000000000, 0.0000000000000000, 0.0003144200000000 ] - [ -0.0000229800000000, 0.0000000000000000, 0.0000336200000000 ] - [ -0.0001985500000000, -0.0000029000000000, 0.0001686800000000 ] - [ -0.0001985500000000, 0.0000029000000000, 0.0001686800000000 ] - [ -0.0004540700000000, 0.0000763600000000, 0.0011956300000000 ] - [ -0.0036112600000000, 0.0000000000000000, 0.0025948300000000 ] - [ -0.0006617400000000, 0.0006881400000000, -0.0022065600000000 ] - [ -0.0015634200000000, 0.0000000000000000, 0.0002936500000000 ] - [ 0.0172578200000000, 0.0000000000000000, 0.0028432300000000 ] - [ -0.0032591600000000, 0.0011683500000000, -0.0004357700000000 ] - [ -0.0009561200000000, 0.0000000000000000, -0.0002430000000000 ] - [ -0.0032086900000000, -0.0011958300000000, -0.0005261600000000 ] - [ -0.0011907100000000, 0.0000000000000000, -0.0000475700000000 ] - [ -0.0032591600000000, -0.0011683500000000, -0.0004357700000000 ] - [ 0.0174337900000000, 0.0000000000000000, 0.0028731800000000 ] - [ -0.0032086900000000, 0.0011958300000000, -0.0005261600000000 ] - [ -0.0015997500000000, 0.0000000000000000, 0.0003588200000000 ] - [ -0.0002713500000000, -0.0000381400000000, 0.0000242000000000 ] - [ -0.0037139700000000, 0.0000000000000000, 0.0024593500000000 ] - [ -0.0004717000000000, 0.0002353300000000, 0.0011808200000000 ] - [ 0.0001341400000000, 0.0000000000000000, -0.0000975200000000 ] - [ 0.0003411800000000, 0.0000404500000000, -0.0001205600000000 ] - [ -0.0001566400000000, 0.0000000000000000, -0.0004419600000000 ] - [ -0.0007440000000000, -0.0008926700000000, -0.0021628200000000 ] - [ -0.0001700800000000, 0.0000000000000000, 0.0000722300000000 ] - [ -0.0000197500000000, 0.0000158700000000, -0.0000860400000000 ] - [ -0.0002074000000000, 0.0000000000000000, -0.0006713900000000 ] - [ -0.0000596300000000, -0.0000259700000000, -0.0000208400000000 ] - [ 0.0001501800000000, 0.0000000000000000, -0.0000724000000000 ] - [ -0.0000409200000000, -0.0000155200000000, -0.0000511200000000 ] - [ -0.0000064800000000, 0.0000000000000000, -0.0000005000000000 ] - [ -0.0000596300000000, 0.0000259700000000, -0.0000208400000000 ] - [ 0.0000800600000000, 0.0000000000000000, -0.0000285800000000 ] - [ 0.0001065900000000, 0.0000010000000000, 0.0000323700000000 ] - [ 0.0000112800000000, 0.0000000000000000, -0.0000417800000000 ] - [ 0.0001130800000000, 0.0000488300000000, -0.0000769500000000 ] - [ 0.0000762700000000, 0.0000000000000000, 0.0005286300000000 ] - [ 0.0001065900000000, -0.0000010000000000, 0.0000323700000000 ] - [ 0.0000879500000000, 0.0000000000000000, 0.0000179900000000 ] - [ 0.0001005100000000, -0.0000534900000000, -0.0000357200000000 ] - [ -0.0001792600000000, 0.0000000000000000, -0.0004302200000000 ] - [ 0.0000891300000000, 0.0000000000000000, -0.0001544200000000 ] - [ 0.0003820500000000, -0.0000153800000000, -0.0000753300000000 ] - [ 0.0003820500000000, 0.0000153800000000, -0.0000753300000000 ]- atom: 4 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0003354300000000, 0.0000000000000000, -0.0002059700000000 ] - [ -0.0012908500000000, 0.0000000000000000, -0.0006577100000000 ] - [ -0.0030865100000000, 0.0000000000000000, 0.0095607000000000 ] - [ 0.0818312200000000, 0.0000000000000000, 0.0068148400000000 ] - [ 0.0001957000000000, 0.0000000000000000, 0.0000024000000000 ] - [ 0.0011851000000000, 0.0000000000000000, -0.0006111000000000 ] - [ 0.0000510500000000, 0.0000000000000000, -0.0000312900000000 ] - [ -0.0000003700000000, 0.0000000000000000, -0.0000319900000000 ] - [ -0.0002776600000000, 0.0000000000000000, -0.0000395400000000 ] - [ 0.0001268000000000, 0.0000000000000000, -0.0001051600000000 ] - [ -0.0004211500000000, 0.0000000000000000, -0.0001141900000000 ] - [ -0.0029501200000000, 0.0000000000000000, 0.0097070300000000 ] - [ -0.0013407900000000, 0.0000000000000000, -0.0005703000000000 ] - [ -0.0024361600000000, 0.0000000000000000, 0.0007850500000000 ] - [ -0.0002328700000000, 0.0000000000000000, -0.0000565400000000 ] - [ -0.0004468600000000, 0.0000000000000000, 0.0005030000000000 ] - [ -0.0000083700000000, 0.0000000000000000, -0.0000034600000000 ] - [ 0.0000117100000000, 0.0000000000000000, -0.0001149300000000 ] - [ 0.0002071600000000, 0.0000000000000000, -0.0000671900000000 ] - [ 0.0001278800000000, 0.0000000000000000, -0.0000240700000000 ] - [ 0.0001845000000000, 0.0000000000000000, 0.0014391100000000 ] - [ 0.0016204400000000, 0.0000000000000000, -0.0008310100000000 ] - [ 0.0095195900000000, -0.0071762100000000, -0.0071017500000000 ] - [ -0.0037595100000000, 0.0000000000000000, -0.0002091800000000 ] - [ 0.0095195900000000, 0.0071762100000000, -0.0071017500000000 ] - [ -0.0031841000000000, -0.0005260600000000, 0.0009190700000000 ] - [ 0.0001128400000000, 0.0000000000000000, -0.0000282000000000 ] - [ 0.0004128500000000, 0.0000000000000000, -0.0000865900000000 ] - [ 0.0095804800000000, 0.0071919100000000, -0.0071784800000000 ] - [ 0.0000113200000000, 0.0000000000000000, -0.0000825100000000 ] - [ -0.0036734400000000, 0.0000000000000000, -0.0001901600000000 ] - [ 0.0001986700000000, -0.0000106900000000, -0.0003466400000000 ] - [ -0.0000846200000000, 0.0001307900000000, 0.0001634400000000 ] - [ -0.0000764500000000, 0.0000000000000000, 0.0017321900000000 ] - [ 0.0001320100000000, -0.0000122500000000, -0.0000769900000000 ] - [ -0.0001945800000000, 0.0000000000000000, -0.0000768800000000 ] - [ 0.0001320100000000, 0.0000122500000000, -0.0000769900000000 ] - [ -0.0000285100000000, -0.0000232600000000, 0.0001495100000000 ] - [ 0.0001565600000000, 0.0000222200000000, -0.0003868800000000 ] - [ 0.0000068500000000, 0.0000000000000000, -0.0000157500000000 ] - [ -0.0015370500000000, 0.0000000000000000, -0.0015817100000000 ] - [ -0.0005288400000000, 0.0000000000000000, 0.0006772900000000 ] - [ -0.0029722500000000, -0.0008062100000000, 0.0008789700000000 ] - [ -0.0123450700000000, 0.0000000000000000, 0.0002636600000000 ] - [ -0.0029722500000000, 0.0008062100000000, 0.0008789700000000 ] - [ 0.0095804800000000, -0.0071919100000000, -0.0071784800000000 ] - [ -0.0001344300000000, 0.0000000000000000, -0.0000533500000000 ] - [ -0.0007041600000000, 0.0000000000000000, -0.0000677400000000 ] - [ -0.0031841000000000, 0.0005260600000000, 0.0009190700000000 ] - [ 0.0000930400000000, 0.0000000000000000, -0.0001669700000000 ] - [ -0.0122291800000000, 0.0000000000000000, 0.0001210200000000 ] - [ -0.0000846200000000, -0.0001307900000000, 0.0001634400000000 ] - [ 0.0001986700000000, 0.0000106900000000, -0.0003466400000000 ] - [ -0.0018637400000000, 0.0000000000000000, -0.0017793200000000 ] - [ 0.0001400800000000, -0.0000129900000000, -0.0000775600000000 ] - [ 0.0000852900000000, 0.0000000000000000, -0.0000620900000000 ] - [ 0.0001400800000000, 0.0000129900000000, -0.0000775600000000 ] - [ 0.0001565600000000, -0.0000222200000000, -0.0003868800000000 ] - [ -0.0000285100000000, 0.0000232600000000, 0.0001495100000000 ] - [ 0.0000875800000000, 0.0000000000000000, -0.0001315100000000 ] - [ 0.0006106000000000, 0.0009592200000000, 0.0021932800000000 ] - [ -0.0021538400000000, 0.0000000000000000, 0.0024542600000000 ] - [ 0.0003957600000000, -0.0001986700000000, -0.0012060900000000 ] - [ -0.0021528700000000, 0.0000000000000000, -0.0017357300000000 ] - [ 0.0027004000000000, 0.0000000000000000, -0.0008210300000000 ] - [ -0.0126577100000000, 0.0036388900000000, 0.0016262400000000 ] - [ -0.0031130100000000, 0.0000000000000000, -0.0001227100000000 ] - [ -0.0123359900000000, -0.0030711100000000, 0.0011644700000000 ] - [ -0.0030916400000000, 0.0000000000000000, 0.0000265200000000 ] - [ -0.0126577100000000, -0.0036388900000000, 0.0016262400000000 ] - [ 0.0027467200000000, 0.0000000000000000, -0.0007571400000000 ] - [ -0.0123359900000000, 0.0030711100000000, 0.0011644700000000 ] - [ -0.0020134400000000, 0.0000000000000000, -0.0016938200000000 ] - [ -0.0003600200000000, -0.0000856000000000, -0.0000150800000000 ] - [ -0.0020862800000000, 0.0000000000000000, 0.0022460300000000 ] - [ 0.0007611100000000, -0.0006719200000000, 0.0021984800000000 ] - [ 0.0001091900000000, 0.0000000000000000, 0.0000066500000000 ] - [ 0.0002539200000000, 0.0000881200000000, -0.0001584600000000 ] - [ -0.0001962500000000, 0.0000000000000000, -0.0001265800000000 ] - [ 0.0004964300000000, 0.0000111200000000, -0.0011474600000000 ] - [ -0.0001825000000000, 0.0000000000000000, 0.0001184000000000 ] - [ -0.0000124800000000, 0.0000081200000000, -0.0000166600000000 ] - [ -0.0001257400000000, 0.0000000000000000, -0.0005718700000000 ] - [ -0.0000383600000000, -0.0000259800000000, 0.0000643400000000 ] - [ 0.0001479900000000, 0.0000000000000000, 0.0000278100000000 ] - [ -0.0000333200000000, -0.0000075000000000, 0.0000180800000000 ] - [ -0.0000196600000000, 0.0000000000000000, 0.0000760800000000 ] - [ -0.0000383600000000, 0.0000259800000000, 0.0000643400000000 ] - [ 0.0000663700000000, 0.0000000000000000, 0.0000485100000000 ] - [ 0.0001279800000000, 0.0000043500000000, 0.0001179700000000 ] - [ 0.0000084800000000, 0.0000000000000000, 0.0000585800000000 ] - [ 0.0001207300000000, 0.0000575400000000, -0.0000078800000000 ] - [ 0.0001446300000000, 0.0000000000000000, 0.0006055100000000 ] - [ 0.0001279800000000, -0.0000043500000000, 0.0001179700000000 ] - [ 0.0000749500000000, 0.0000000000000000, 0.0000612200000000 ] - [ 0.0001075600000000, -0.0000621100000000, 0.0000335400000000 ] - [ -0.0001849900000000, 0.0000000000000000, -0.0000914700000000 ] - [ 0.0000630000000000, 0.0000000000000000, -0.0000489700000000 ] - [ 0.0002969900000000, 0.0000529900000000, -0.0001134700000000 ] - [ 0.0002969900000000, -0.0000529900000000, -0.0001134700000000 ] - [ 0.0003957600000000, 0.0001986700000000, -0.0012060900000000 ] - [ 0.0034364600000000, 0.0000000000000000, -0.0023293000000000 ] - [ 0.0006106000000000, -0.0009592200000000, 0.0021932800000000 ] - [ 0.0015087800000000, 0.0000000000000000, -0.0003222800000000 ] - [ -0.0163760800000000, 0.0000000000000000, -0.0021346600000000 ] - [ 0.0031315700000000, -0.0011920700000000, 0.0005292500000000 ] - [ 0.0011014600000000, 0.0000000000000000, 0.0000013700000000 ] - [ 0.0030968200000000, 0.0011923300000000, 0.0004967300000000 ] - [ 0.0008878900000000, 0.0000000000000000, 0.0002073200000000 ] - [ 0.0031315700000000, 0.0011920700000000, 0.0005292500000000 ] - [ -0.0186082500000000, 0.0000000000000000, -0.0036711800000000 ] - [ 0.0030968200000000, -0.0011923300000000, 0.0004967300000000 ] - [ 0.0015376000000000, 0.0000000000000000, -0.0004134800000000 ] - [ 0.0002539200000000, -0.0000881200000000, -0.0001584600000000 ] - [ 0.0036430600000000, 0.0000000000000000, -0.0025355200000000 ] - [ 0.0004964300000000, -0.0000111200000000, -0.0011474600000000 ] - [ -0.0000089200000000, 0.0000000000000000, 0.0001221800000000 ] - [ -0.0003600200000000, 0.0000856000000000, -0.0000150800000000 ] - [ 0.0001180300000000, 0.0000000000000000, 0.0004950700000000 ] - [ 0.0007611100000000, 0.0006719200000000, 0.0021984800000000 ] - [ 0.0000049100000000, 0.0000000000000000, -0.0000338700000000 ] - [ -0.0000333200000000, 0.0000075000000000, 0.0000180800000000 ] - [ 0.0000503000000000, 0.0000000000000000, 0.0005166200000000 ] - [ 0.0001322200000000, 0.0000239300000000, 0.0002259800000000 ] - [ 0.0001089500000000, 0.0000000000000000, 0.0000083700000000 ] - [ -0.0000124800000000, -0.0000081200000000, -0.0000166600000000 ] - [ 0.0000256300000000, 0.0000000000000000, 0.0000813200000000 ] - [ 0.0001322200000000, -0.0000239300000000, 0.0002259800000000 ] - [ 0.0000076400000000, 0.0000000000000000, 0.0000494800000000 ] - [ -0.0000681800000000, 0.0000303900000000, -0.0000304600000000 ] - [ 0.0000422100000000, 0.0000000000000000, 0.0000817900000000 ] - [ 0.0001075600000000, 0.0000621100000000, 0.0000335400000000 ] - [ -0.0001136400000000, 0.0000000000000000, -0.0002815600000000 ] - [ -0.0000681800000000, -0.0000303900000000, -0.0000304600000000 ] - [ 0.0002330500000000, 0.0000000000000000, -0.0000986700000000 ] - [ 0.0001207300000000, -0.0000575400000000, -0.0000078800000000 ] - [ 0.0001577600000000, 0.0000000000000000, 0.0006528200000000 ] - [ -0.0000490500000000, 0.0000000000000000, 0.0001395000000000 ] - [ -0.0002824900000000, 0.0000651400000000, 0.0001317700000000 ] - [ -0.0002824900000000, -0.0000651400000000, 0.0001317700000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000318700000000, 0.0001266700000000, -0.0000756900000000 ] - [ -0.0000686700000000, -0.0002013700000000, -0.0000141700000000 ] - [ -0.0000669400000000, -0.0066867200000000, 0.0000064600000000 ] - [ -0.0001404500000000, -0.0795914400000000, 0.0000820700000000 ] - [ -0.0000070700000000, -0.0000326200000000, -0.0000153000000000 ] - [ 0.0000348300000000, -0.0000892300000000, -0.0000043600000000 ] - [ 0.0000221700000000, -0.0000022700000000, 0.0000186200000000 ] - [ 0.0000016600000000, -0.0000038800000000, -0.0000303100000000 ] - [ -0.0000233900000000, -0.0000490900000000, -0.0000375900000000 ] - [ 0.0001223400000000, -0.0000058800000000, -0.0000213300000000 ] - [ 0.0000325300000000, 0.0000626200000000, -0.0000767800000000 ] - [ -0.0000677500000000, -0.0067141400000000, -0.0000331400000000 ] - [ -0.0000661700000000, -0.0002065200000000, -0.0000123200000000 ] - [ -0.0000990400000000, -0.0001723700000000, 0.0000437300000000 ] - [ -0.0000072900000000, -0.0000314700000000, -0.0000148700000000 ] - [ 0.0000352100000000, -0.0003771000000000, -0.0000033900000000 ] - [ 0.0000220100000000, -0.0000012700000000, 0.0000188000000000 ] - [ 0.0000015800000000, -0.0000042100000000, -0.0000302800000000 ] - [ -0.0000237300000000, -0.0000328900000000, -0.0000373300000000 ] - [ 0.0001223100000000, -0.0000045500000000, -0.0000214700000000 ] - [ 0.0000583800000000, 0.0011058100000000, -0.0000196100000000 ] - [ 0.0000820700000000, -0.0001316600000000, -0.0000027500000000 ] - [ 0.0072775100000000, 0.0021229000000000, 0.0116376600000000 ] - [ -0.0001015700000000, 0.0183005800000000, 0.0000150100000000 ] - [ -0.0072174400000000, 0.0024647600000000, -0.0115838300000000 ] - [ 0.0007319800000000, 0.0000978300000000, 0.0001532300000000 ] - [ 0.0000007000000000, 0.0000086500000000, 0.0000215100000000 ] - [ -0.0000448100000000, 0.0001738500000000, 0.0000251800000000 ] - [ -0.0074043800000000, 0.0024738600000000, -0.0116810000000000 ] - [ 0.0000518900000000, 0.0000018000000000, -0.0000625200000000 ] - [ -0.0002239900000000, 0.0182055200000000, 0.0000519000000000 ] - [ 0.0000549400000000, -0.0000390300000000, 0.0000120400000000 ] - [ -0.0000077800000000, 0.0000418400000000, -0.0000506300000000 ] - [ -0.0000609900000000, 0.0013386100000000, 0.0000349000000000 ] - [ 0.0001372800000000, -0.0000139900000000, -0.0000169200000000 ] - [ -0.0000407100000000, 0.0000152700000000, -0.0000065900000000 ] - [ 0.0001345300000000, 0.0000141900000000, -0.0000200800000000 ] - [ 0.0000683700000000, 0.0000120500000000, -0.0000024800000000 ] - [ -0.0000077200000000, -0.0000128300000000, -0.0000626000000000 ] - [ 0.0000475200000000, 0.0000026100000000, -0.0000111700000000 ] - [ 0.0000601400000000, 0.0001020800000000, -0.0000185000000000 ] - [ 0.0000813600000000, -0.0005725500000000, -0.0000044700000000 ] - [ 0.0007281700000000, -0.0001338400000000, 0.0001198400000000 ] - [ -0.0001466200000000, -0.0006042000000000, 0.0000582800000000 ] - [ -0.0006932100000000, 0.0001653100000000, -0.0001467200000000 ] - [ 0.0073087800000000, 0.0026932300000000, 0.0115775900000000 ] - [ 0.0000006100000000, 0.0000103300000000, 0.0000216800000000 ] - [ -0.0000456800000000, 0.0000907600000000, 0.0000264700000000 ] - [ -0.0008011600000000, -0.0000812300000000, -0.0001717900000000 ] - [ 0.0000519500000000, 0.0000028600000000, -0.0000627500000000 ] - [ -0.0001796300000000, -0.0006078500000000, 0.0000080000000000 ] - [ 0.0000533400000000, -0.0000404500000000, 0.0000283700000000 ] - [ -0.0000100400000000, 0.0000432200000000, -0.0000350200000000 ] - [ -0.0000626100000000, 0.0001286000000000, 0.0000334300000000 ] - [ 0.0001373000000000, -0.0000139300000000, -0.0000169500000000 ] - [ -0.0000408000000000, 0.0000100800000000, -0.0000064300000000 ] - [ 0.0001344600000000, 0.0000141300000000, -0.0000200900000000 ] - [ 0.0000583100000000, 0.0000130200000000, -0.0000212000000000 ] - [ -0.0000181800000000, -0.0000138200000000, -0.0000819200000000 ] - [ 0.0000474200000000, 0.0000029000000000, -0.0000110900000000 ] - [ 0.0000421600000000, 0.0002101700000000, 0.0002857600000000 ] - [ -0.0001089200000000, -0.0038012900000000, 0.0001308800000000 ] - [ 0.0008811100000000, 0.0000551000000000, -0.0010984000000000 ] - [ -0.0000232100000000, -0.0020418300000000, -0.0000114900000000 ] - [ -0.0000755400000000, -0.0012581400000000, -0.0000418200000000 ] - [ -0.0033954000000000, 0.0094072100000000, 0.0025770000000000 ] - [ 0.0000692200000000, 0.0026477500000000, -0.0001218800000000 ] - [ 0.0025718700000000, 0.0082418400000000, -0.0015455100000000 ] - [ -0.0001486400000000, 0.0023913800000000, 0.0000821000000000 ] - [ 0.0036456100000000, 0.0100535000000000, -0.0030336800000000 ] - [ -0.0000446200000000, -0.0012976700000000, 0.0000134900000000 ] - [ -0.0030302500000000, 0.0088235800000000, 0.0020225500000000 ] - [ -0.0000343400000000, -0.0023094400000000, -0.0000298700000000 ] - [ -0.0000603900000000, -0.0000380100000000, -0.0001672700000000 ] - [ -0.0000117300000000, -0.0038227100000000, -0.0000353300000000 ] - [ -0.0000596500000000, 0.0001714400000000, -0.0002752800000000 ] - [ 0.0000631200000000, 0.0000093200000000, 0.0000125200000000 ] - [ -0.0000571700000000, 0.0000647500000000, 0.0000205800000000 ] - [ -0.0000190400000000, 0.0000449300000000, 0.0000262800000000 ] - [ -0.0009229000000000, -0.0000670600000000, 0.0010887600000000 ] - [ -0.0000827800000000, -0.0000130700000000, 0.0000191200000000 ] - [ -0.0000267500000000, 0.0000119300000000, -0.0000341500000000 ] - [ -0.0000785800000000, -0.0000436700000000, -0.0000778000000000 ] - [ 0.0000383400000000, -0.0000014500000000, 0.0000951300000000 ] - [ 0.0001298000000000, -0.0000009400000000, -0.0000318800000000 ] - [ -0.0000261600000000, -0.0000117900000000, -0.0000328300000000 ] - [ 0.0000102700000000, 0.0000005100000000, 0.0000407500000000 ] - [ 0.0000340400000000, 0.0000000500000000, 0.0001098900000000 ] - [ 0.0000434500000000, 0.0000007500000000, 0.0000104200000000 ] - [ 0.0000125400000000, 0.0000162400000000, 0.0000122700000000 ] - [ 0.0000265600000000, -0.0000003600000000, 0.0000196300000000 ] - [ 0.0001105700000000, 0.0000559800000000, -0.0000197800000000 ] - [ -0.0000186400000000, -0.0000144300000000, 0.0001237500000000 ] - [ 0.0000257100000000, -0.0000159800000000, -0.0000105400000000 ] - [ 0.0001612700000000, -0.0000124600000000, -0.0000403100000000 ] - [ 0.0001104500000000, -0.0000557500000000, -0.0000239800000000 ] - [ -0.0000100700000000, 0.0000637700000000, 0.0001118400000000 ] - [ 0.0000198000000000, 0.0000142400000000, -0.0000086900000000 ] - [ -0.0000066500000000, 0.0000114500000000, 0.0001553400000000 ] - [ 0.0001052000000000, -0.0000385700000000, -0.0000981500000000 ] - [ -0.0009312300000000, 0.0003288400000000, 0.0010891000000000 ] - [ -0.0000983400000000, 0.0011769500000000, 0.0001471400000000 ] - [ -0.0000956400000000, -0.0000673800000000, -0.0002973000000000 ] - [ -0.0000292100000000, 0.0000764800000000, -0.0000098800000000 ] - [ -0.0001283700000000, 0.0079186100000000, -0.0000779400000000 ] - [ -0.0001607600000000, 0.0001175900000000, 0.0000431500000000 ] - [ 0.0000725500000000, -0.0000594200000000, -0.0001186100000000 ] - [ 0.0000374300000000, 0.0001301300000000, -0.0000146400000000 ] - [ -0.0001513200000000, -0.0000689200000000, 0.0000781900000000 ] - [ 0.0000346000000000, 0.0001321300000000, 0.0000450500000000 ] - [ 0.0000119600000000, 0.0079295900000000, 0.0000516400000000 ] - [ -0.0001507000000000, 0.0001251500000000, -0.0000093000000000 ] - [ -0.0000284300000000, 0.0000864900000000, -0.0000314200000000 ] - [ 0.0000394300000000, -0.0000612500000000, -0.0001559000000000 ] - [ -0.0000226100000000, 0.0012177600000000, -0.0000520600000000 ] - [ 0.0009393100000000, 0.0001551800000000, -0.0010568000000000 ] - [ 0.0000630200000000, 0.0000165200000000, 0.0000126800000000 ] - [ 0.0000426400000000, 0.0000881000000000, 0.0000333000000000 ] - [ -0.0000183300000000, 0.0000279300000000, 0.0000264000000000 ] - [ 0.0000790300000000, -0.0000551200000000, 0.0003096400000000 ] - [ -0.0000826600000000, -0.0000081500000000, 0.0000190400000000 ] - [ -0.0000266300000000, 0.0000122000000000, -0.0000349200000000 ] - [ -0.0000779200000000, -0.0000207100000000, -0.0000773900000000 ] - [ 0.0000397000000000, -0.0000012500000000, 0.0000946800000000 ] - [ 0.0001298600000000, -0.0000004900000000, -0.0000318100000000 ] - [ -0.0000265400000000, -0.0000119100000000, -0.0000335000000000 ] - [ 0.0000100700000000, 0.0000005900000000, 0.0000405200000000 ] - [ 0.0000331100000000, 0.0000004800000000, 0.0001103900000000 ] - [ 0.0000434600000000, 0.0000002400000000, 0.0000103500000000 ] - [ 0.0000168700000000, 0.0000160500000000, 0.0000093800000000 ] - [ 0.0000266400000000, -0.0000007400000000, 0.0000196700000000 ] - [ 0.0001104500000000, 0.0000559600000000, -0.0000193100000000 ] - [ -0.0000180400000000, -0.0000377500000000, 0.0001241000000000 ] - [ 0.0000217100000000, -0.0000162200000000, -0.0000075700000000 ] - [ 0.0001612700000000, -0.0000133300000000, -0.0000401300000000 ] - [ 0.0001104700000000, -0.0000558700000000, -0.0000234700000000 ] - [ -0.0000106000000000, 0.0000253100000000, 0.0001116600000000 ] - [ 0.0000197400000000, 0.0000135600000000, -0.0000088900000000 ] - [ 0.0000812900000000, 0.0000257900000000, 0.0001170500000000 ] - [ 0.0000173300000000, -0.0000239400000000, -0.0000610400000000 ]- atom: 4 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0001242100000000, 0.0000000000000000, 0.0020480800000000 ] - [ 0.0007414300000000, 0.0000000000000000, -0.0008178700000000 ] - [ -0.0085422700000000, 0.0000000000000000, 0.0068813000000000 ] - [ -0.0182265000000000, 0.0000000000000000, -0.1260633600000000 ] - [ -0.0001644400000000, 0.0000000000000000, 0.0011157100000000 ] - [ 0.0004621800000000, 0.0000000000000000, 0.0013720100000000 ] - [ 0.0000304000000000, 0.0000000000000000, 0.0010149000000000 ] - [ 0.0000006800000000, 0.0000000000000000, 0.0011049200000000 ] - [ 0.0000723000000000, 0.0000000000000000, 0.0008426000000000 ] - [ 0.0001917400000000, 0.0000000000000000, 0.0011241400000000 ] - [ 0.0001472000000000, 0.0000000000000000, 0.0004272800000000 ] - [ -0.0089095700000000, 0.0000000000000000, 0.0071604700000000 ] - [ 0.0007801800000000, 0.0000000000000000, -0.0008694200000000 ] - [ -0.0004884600000000, 0.0000000000000000, -0.0052720300000000 ] - [ 0.0000810800000000, 0.0000000000000000, 0.0008356300000000 ] - [ -0.0003934700000000, 0.0000000000000000, 0.0007524600000000 ] - [ 0.0000311100000000, 0.0000000000000000, 0.0009883300000000 ] - [ 0.0000802200000000, 0.0000000000000000, 0.0010991200000000 ] - [ -0.0001521400000000, 0.0000000000000000, 0.0010894100000000 ] - [ 0.0001268800000000, 0.0000000000000000, 0.0011183200000000 ] - [ -0.0013758100000000, 0.0000000000000000, 0.0022832700000000 ] - [ 0.0007089600000000, 0.0000000000000000, 0.0021781000000000 ] - [ 0.0061780200000000, 0.0116377700000000, 0.0134667000000000 ] - [ -0.0046881800000000, 0.0000000000000000, -0.0136920700000000 ] - [ 0.0061780200000000, -0.0116377700000000, 0.0134667000000000 ] - [ -0.0005728300000000, 0.0010165900000000, -0.0011201100000000 ] - [ -0.0000850700000000, 0.0000000000000000, 0.0017264600000000 ] - [ -0.0002649200000000, 0.0000000000000000, 0.0032093400000000 ] - [ 0.0060157300000000, -0.0114912700000000, 0.0130300100000000 ] - [ -0.0000034500000000, 0.0000000000000000, 0.0015278800000000 ] - [ -0.0048109400000000, 0.0000000000000000, -0.0137579900000000 ] - [ 0.0003567800000000, -0.0000888900000000, 0.0016064700000000 ] - [ -0.0001720200000000, 0.0000200200000000, 0.0014928100000000 ] - [ -0.0015349200000000, 0.0000000000000000, 0.0024254800000000 ] - [ 0.0001723900000000, -0.0000873200000000, 0.0015254500000000 ] - [ -0.0000373900000000, 0.0000000000000000, 0.0016060400000000 ] - [ 0.0001723900000000, 0.0000873200000000, 0.0015254500000000 ] - [ -0.0001242000000000, -0.0000173900000000, 0.0014592400000000 ] - [ 0.0003024200000000, 0.0000012100000000, 0.0016205300000000 ] - [ -0.0000037400000000, 0.0000000000000000, 0.0015823200000000 ] - [ 0.0016905600000000, 0.0000000000000000, 0.0017463300000000 ] - [ -0.0005288600000000, 0.0000000000000000, 0.0012017200000000 ] - [ -0.0004500500000000, 0.0008074600000000, -0.0010401600000000 ] - [ 0.0066261400000000, 0.0000000000000000, -0.0086925000000000 ] - [ -0.0004500500000000, -0.0008074600000000, -0.0010401600000000 ] - [ 0.0060157300000000, 0.0114912700000000, 0.0130300100000000 ] - [ -0.0000095100000000, 0.0000000000000000, 0.0015909900000000 ] - [ 0.0001095400000000, 0.0000000000000000, 0.0008760000000000 ] - [ -0.0005728300000000, -0.0010165900000000, -0.0011201100000000 ] - [ 0.0000113000000000, 0.0000000000000000, 0.0016205600000000 ] - [ 0.0067697100000000, 0.0000000000000000, -0.0087436500000000 ] - [ -0.0001720200000000, -0.0000200200000000, 0.0014928100000000 ] - [ 0.0003567800000000, 0.0000888900000000, 0.0016064700000000 ] - [ 0.0016101500000000, 0.0000000000000000, 0.0018310300000000 ] - [ 0.0001751500000000, -0.0000861300000000, 0.0015214800000000 ] - [ -0.0001340700000000, 0.0000000000000000, 0.0017101700000000 ] - [ 0.0001751500000000, 0.0000861300000000, 0.0015214800000000 ] - [ 0.0003024200000000, -0.0000012100000000, 0.0016205300000000 ] - [ -0.0001242000000000, 0.0000173900000000, 0.0014592400000000 ] - [ 0.0000046600000000, 0.0000000000000000, 0.0016759700000000 ] - [ -0.0013070500000000, -0.0006363300000000, -0.0012488800000000 ] - [ -0.0021362200000000, 0.0000000000000000, 0.0068621800000000 ] - [ 0.0014314100000000, 0.0000775800000000, -0.0006431400000000 ] - [ -0.0003655500000000, 0.0000000000000000, -0.0018856500000000 ] - [ 0.0028774900000000, 0.0000000000000000, 0.0019582200000000 ] - [ -0.0012063500000000, 0.0034919100000000, 0.0146436900000000 ] - [ 0.0004297400000000, 0.0000000000000000, -0.0037082700000000 ] - [ -0.0009291300000000, -0.0028334700000000, 0.0141636700000000 ] - [ 0.0002365300000000, 0.0000000000000000, -0.0038204300000000 ] - [ -0.0012063500000000, -0.0034919100000000, 0.0146436900000000 ] - [ 0.0029031700000000, 0.0000000000000000, 0.0019998000000000 ] - [ -0.0009291300000000, 0.0028334700000000, 0.0141636700000000 ] - [ -0.0002071700000000, 0.0000000000000000, -0.0017555100000000 ] - [ -0.0003464800000000, 0.0001936100000000, -0.0014119000000000 ] - [ -0.0019958200000000, 0.0000000000000000, 0.0067577800000000 ] - [ -0.0013257000000000, 0.0008296800000000, -0.0011545800000000 ] - [ 0.0001834700000000, 0.0000000000000000, -0.0012805100000000 ] - [ 0.0000300700000000, 0.0000202400000000, -0.0007204500000000 ] - [ 0.0006399400000000, 0.0000000000000000, -0.0011702000000000 ] - [ 0.0014534600000000, -0.0002647000000000, -0.0005165500000000 ] - [ 0.0000365600000000, 0.0000000000000000, -0.0010201700000000 ] - [ -0.0001353800000000, 0.0001122200000000, -0.0009638600000000 ] - [ 0.0001852000000000, 0.0000000000000000, -0.0013577500000000 ] - [ -0.0000310400000000, -0.0000872900000000, -0.0008750900000000 ] - [ 0.0001848600000000, 0.0000000000000000, -0.0013664600000000 ] - [ -0.0001675000000000, -0.0001218700000000, -0.0009946500000000 ] - [ 0.0001989900000000, 0.0000000000000000, -0.0009564800000000 ] - [ -0.0000310400000000, 0.0000872900000000, -0.0008750900000000 ] - [ 0.0002091600000000, 0.0000000000000000, -0.0009609100000000 ] - [ -0.0001489600000000, 0.0001101900000000, -0.0009326100000000 ] - [ 0.0000873800000000, 0.0000000000000000, -0.0013404400000000 ] - [ 0.0000017700000000, -0.0000387500000000, -0.0009509200000000 ] - [ -0.0002083700000000, 0.0000000000000000, -0.0009964800000000 ] - [ -0.0001489600000000, -0.0001101900000000, -0.0009326100000000 ] - [ 0.0002922900000000, 0.0000000000000000, -0.0010830200000000 ] - [ -0.0000268100000000, 0.0000490700000000, -0.0009843300000000 ] - [ 0.0004020900000000, 0.0000000000000000, -0.0010574000000000 ] - [ 0.0001204700000000, 0.0000000000000000, -0.0012992900000000 ] - [ 0.0000922400000000, 0.0000395300000000, -0.0007138600000000 ] - [ 0.0000922400000000, -0.0000395300000000, -0.0007138600000000 ] - [ 0.0014314100000000, -0.0000775800000000, -0.0006431400000000 ] - [ 0.0008581800000000, 0.0000000000000000, 0.0047785800000000 ] - [ -0.0013070500000000, 0.0006363300000000, -0.0012488800000000 ] - [ -0.0004468000000000, 0.0000000000000000, 0.0003261100000000 ] - [ 0.0067971600000000, 0.0000000000000000, 0.0141585500000000 ] - [ -0.0016869400000000, 0.0008684300000000, 0.0021055500000000 ] - [ -0.0000092600000000, 0.0000000000000000, 0.0000030700000000 ] - [ -0.0016858100000000, -0.0008720900000000, 0.0020680400000000 ] - [ -0.0002242400000000, 0.0000000000000000, 0.0000543200000000 ] - [ -0.0016869400000000, -0.0008684300000000, 0.0021055500000000 ] - [ 0.0069413600000000, 0.0000000000000000, 0.0142746500000000 ] - [ -0.0016858100000000, 0.0008720900000000, 0.0020680400000000 ] - [ -0.0004790600000000, 0.0000000000000000, 0.0003148500000000 ] - [ 0.0000300700000000, -0.0000202400000000, -0.0007204500000000 ] - [ 0.0009149300000000, 0.0000000000000000, 0.0047094200000000 ] - [ 0.0014534600000000, 0.0002647000000000, -0.0005165500000000 ] - [ 0.0000625100000000, 0.0000000000000000, -0.0014541000000000 ] - [ -0.0003464800000000, -0.0001936100000000, -0.0014119000000000 ] - [ -0.0002141500000000, 0.0000000000000000, -0.0008829200000000 ] - [ -0.0013257000000000, -0.0008296800000000, -0.0011545800000000 ] - [ 0.0001300300000000, 0.0000000000000000, -0.0009036900000000 ] - [ -0.0001675000000000, 0.0001218700000000, -0.0009946500000000 ] - [ -0.0002704300000000, 0.0000000000000000, -0.0012517300000000 ] - [ -0.0001340900000000, -0.0000966900000000, -0.0008093700000000 ] - [ 0.0001922600000000, 0.0000000000000000, -0.0013964800000000 ] - [ -0.0001353800000000, -0.0001122200000000, -0.0009638600000000 ] - [ 0.0001815000000000, 0.0000000000000000, -0.0009260600000000 ] - [ -0.0001340900000000, 0.0000966900000000, -0.0008093700000000 ] - [ 0.0002285000000000, 0.0000000000000000, -0.0009847300000000 ] - [ -0.0000441300000000, 0.0001128600000000, -0.0009719800000000 ] - [ 0.0000799700000000, 0.0000000000000000, -0.0013006300000000 ] - [ -0.0000268100000000, -0.0000490700000000, -0.0009843300000000 ] - [ 0.0002283300000000, 0.0000000000000000, -0.0011212000000000 ] - [ -0.0000441300000000, -0.0001128600000000, -0.0009719800000000 ] - [ 0.0003635900000000, 0.0000000000000000, -0.0009684100000000 ] - [ 0.0000017700000000, 0.0000387500000000, -0.0009509200000000 ] - [ -0.0002893900000000, 0.0000000000000000, -0.0009510500000000 ] - [ 0.0000441300000000, 0.0000000000000000, -0.0014726400000000 ] - [ -0.0001958600000000, -0.0000520100000000, -0.0013424000000000 ] - [ -0.0001958600000000, 0.0000520100000000, -0.0013424000000000 ]- atom: 4 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0001914500000000, 0.0000000000000000, -0.0021921200000000 ] - [ -0.0008954500000000, 0.0000000000000000, 0.0007866200000000 ] - [ 0.0085252600000000, 0.0000000000000000, -0.0069500900000000 ] - [ 0.0180294600000000, 0.0000000000000000, 0.1259280500000000 ] - [ 0.0001508200000000, 0.0000000000000000, -0.0011452200000000 ] - [ -0.0003924200000000, 0.0000000000000000, -0.0013756800000000 ] - [ 0.0000136600000000, 0.0000000000000000, -0.0009751300000000 ] - [ 0.0000027700000000, 0.0000000000000000, -0.0011634800000000 ] - [ -0.0001251400000000, 0.0000000000000000, -0.0009183000000000 ] - [ 0.0000526000000000, 0.0000000000000000, -0.0011658300000000 ] - [ -0.0000783000000000, 0.0000000000000000, -0.0005847900000000 ] - [ 0.0086459100000000, 0.0000000000000000, -0.0071342000000000 ] - [ -0.0009021100000000, 0.0000000000000000, 0.0008553200000000 ] - [ 0.0002896400000000, 0.0000000000000000, 0.0053602200000000 ] - [ -0.0000952400000000, 0.0000000000000000, -0.0008626000000000 ] - [ 0.0004648800000000, 0.0000000000000000, -0.0007549200000000 ] - [ 0.0000124300000000, 0.0000000000000000, -0.0009486600000000 ] - [ -0.0000775800000000, 0.0000000000000000, -0.0011579100000000 ] - [ 0.0000980900000000, 0.0000000000000000, -0.0011634800000000 ] - [ 0.0001173500000000, 0.0000000000000000, -0.0011604300000000 ] - [ 0.0014898800000000, 0.0000000000000000, -0.0023250000000000 ] - [ -0.0005421500000000, 0.0000000000000000, -0.0021912700000000 ] - [ -0.0060675400000000, -0.0117702300000000, -0.0133436600000000 ] - [ 0.0043492500000000, 0.0000000000000000, 0.0138062000000000 ] - [ -0.0060675400000000, 0.0117702300000000, -0.0133436600000000 ] - [ 0.0005007100000000, -0.0008359200000000, 0.0011060400000000 ] - [ 0.0000862600000000, 0.0000000000000000, -0.0016826500000000 ] - [ 0.0001751100000000, 0.0000000000000000, -0.0031711000000000 ] - [ -0.0061577900000000, 0.0114759100000000, -0.0131893200000000 ] - [ 0.0001069000000000, 0.0000000000000000, -0.0016520300000000 ] - [ 0.0044974400000000, 0.0000000000000000, 0.0137820100000000 ] - [ -0.0003137800000000, 0.0000062200000000, -0.0016282500000000 ] - [ 0.0002188800000000, 0.0000632100000000, -0.0015127400000000 ] - [ 0.0014129800000000, 0.0000000000000000, -0.0023508900000000 ] - [ 0.0000995900000000, 0.0000595200000000, -0.0015604800000000 ] - [ -0.0000441100000000, 0.0000000000000000, -0.0016185900000000 ] - [ 0.0000995900000000, -0.0000595200000000, -0.0015604800000000 ] - [ 0.0001746800000000, 0.0000461100000000, -0.0015431100000000 ] - [ -0.0002498600000000, -0.0000294000000000, -0.0017034400000000 ] - [ 0.0000995300000000, 0.0000000000000000, -0.0016021700000000 ] - [ -0.0015690100000000, 0.0000000000000000, -0.0017841900000000 ] - [ 0.0006927600000000, 0.0000000000000000, -0.0012188000000000 ] - [ 0.0004908000000000, -0.0011057200000000, 0.0010125800000000 ] - [ -0.0069294000000000, 0.0000000000000000, 0.0088198700000000 ] - [ 0.0004908000000000, 0.0011057200000000, 0.0010125800000000 ] - [ -0.0061577900000000, -0.0114759100000000, -0.0131893200000000 ] - [ 0.0000104800000000, 0.0000000000000000, -0.0015460600000000 ] - [ -0.0002016600000000, 0.0000000000000000, -0.0008193700000000 ] - [ 0.0005007100000000, 0.0008359200000000, 0.0011060400000000 ] - [ 0.0000921200000000, 0.0000000000000000, -0.0017449200000000 ] - [ -0.0071171600000000, 0.0000000000000000, 0.0087543000000000 ] - [ 0.0002188800000000, -0.0000632100000000, -0.0015127400000000 ] - [ -0.0003137800000000, -0.0000062200000000, -0.0016282500000000 ] - [ -0.0017380200000000, 0.0000000000000000, -0.0017615200000000 ] - [ 0.0000964400000000, 0.0000582800000000, -0.0015563000000000 ] - [ 0.0000516400000000, 0.0000000000000000, -0.0017223500000000 ] - [ 0.0000964400000000, -0.0000582800000000, -0.0015563000000000 ] - [ -0.0002498600000000, 0.0000294000000000, -0.0017034400000000 ] - [ 0.0001746800000000, -0.0000461100000000, -0.0015431100000000 ] - [ 0.0000904800000000, 0.0000000000000000, -0.0016957100000000 ] - [ 0.0012490600000000, 0.0009133100000000, 0.0012378700000000 ] - [ 0.0019398400000000, 0.0000000000000000, -0.0065634900000000 ] - [ -0.0014818400000000, -0.0003557700000000, 0.0006364000000000 ] - [ 0.0003222400000000, 0.0000000000000000, 0.0018706600000000 ] - [ -0.0030388500000000, 0.0000000000000000, -0.0020315100000000 ] - [ 0.0013123300000000, -0.0038764400000000, -0.0148496900000000 ] - [ -0.0002874200000000, 0.0000000000000000, 0.0034499200000000 ] - [ 0.0005965300000000, 0.0024935100000000, -0.0138870300000000 ] - [ -0.0005363600000000, 0.0000000000000000, 0.0040005300000000 ] - [ 0.0013123300000000, 0.0038764400000000, -0.0148496900000000 ] - [ -0.0029879200000000, 0.0000000000000000, -0.0019771700000000 ] - [ 0.0005965300000000, -0.0024935100000000, -0.0138870300000000 ] - [ 0.0001355100000000, 0.0000000000000000, 0.0016872600000000 ] - [ 0.0003304400000000, -0.0003202200000000, 0.0012815600000000 ] - [ 0.0019501900000000, 0.0000000000000000, -0.0068658500000000 ] - [ 0.0013495300000000, -0.0006035400000000, 0.0011880500000000 ] - [ -0.0000567900000000, 0.0000000000000000, 0.0013085700000000 ] - [ -0.0000479000000000, 0.0001038400000000, 0.0005861100000000 ] - [ -0.0006806500000000, 0.0000000000000000, 0.0012274900000000 ] - [ -0.0014365600000000, 0.0000379300000000, 0.0005459300000000 ] - [ -0.0002028700000000, 0.0000000000000000, 0.0010594600000000 ] - [ 0.0000823100000000, -0.0000864000000000, 0.0008979000000000 ] - [ -0.0003441600000000, 0.0000000000000000, 0.0011991000000000 ] - [ 0.0001026100000000, 0.0000873500000000, 0.0010816400000000 ] - [ 0.0000758300000000, 0.0000000000000000, 0.0013071100000000 ] - [ 0.0001149700000000, 0.0000964100000000, 0.0009286800000000 ] - [ -0.0001783400000000, 0.0000000000000000, 0.0010399300000000 ] - [ 0.0001026100000000, -0.0000873500000000, 0.0010816400000000 ] - [ -0.0001234900000000, 0.0000000000000000, 0.0009828800000000 ] - [ 0.0001866300000000, -0.0000745800000000, 0.0009364200000000 ] - [ -0.0000354700000000, 0.0000000000000000, 0.0013815800000000 ] - [ 0.0002194000000000, 0.0001524600000000, 0.0009090500000000 ] - [ 0.0001717500000000, 0.0000000000000000, 0.0012468200000000 ] - [ 0.0001866300000000, 0.0000745800000000, 0.0009364200000000 ] - [ 0.0000323900000000, 0.0000000000000000, 0.0010048000000000 ] - [ 0.0002469600000000, -0.0001620700000000, 0.0009424200000000 ] - [ -0.0004222200000000, 0.0000000000000000, 0.0012800400000000 ] - [ -0.0000804800000000, 0.0000000000000000, 0.0012853700000000 ] - [ 0.0000068200000000, 0.0000115900000000, 0.0007721200000000 ] - [ 0.0000068200000000, -0.0000115900000000, 0.0007721200000000 ] - [ -0.0014818400000000, 0.0003557700000000, 0.0006364000000000 ] - [ -0.0010552100000000, 0.0000000000000000, -0.0044857500000000 ] - [ 0.0012490600000000, -0.0009133100000000, 0.0012378700000000 ] - [ 0.0003912000000000, 0.0000000000000000, -0.0003457300000000 ] - [ -0.0061311400000000, 0.0000000000000000, -0.0136676000000000 ] - [ 0.0015632600000000, -0.0008853400000000, -0.0020154600000000 ] - [ 0.0001525500000000, 0.0000000000000000, -0.0002405100000000 ] - [ 0.0015719700000000, 0.0008790900000000, -0.0020884100000000 ] - [ -0.0000763600000000, 0.0000000000000000, 0.0001014600000000 ] - [ 0.0015632600000000, 0.0008853400000000, -0.0020154600000000 ] - [ -0.0078760300000000, 0.0000000000000000, -0.0148148700000000 ] - [ 0.0015719700000000, -0.0008790900000000, -0.0020884100000000 ] - [ 0.0004194000000000, 0.0000000000000000, -0.0003781700000000 ] - [ -0.0000479000000000, -0.0001038400000000, 0.0005861100000000 ] - [ -0.0009590600000000, 0.0000000000000000, -0.0048113700000000 ] - [ -0.0014365600000000, -0.0000379300000000, 0.0005459300000000 ] - [ 0.0000647600000000, 0.0000000000000000, 0.0014830500000000 ] - [ 0.0003304400000000, 0.0003202200000000, 0.0012815600000000 ] - [ 0.0001789900000000, 0.0000000000000000, 0.0009374600000000 ] - [ 0.0013495300000000, 0.0006035400000000, 0.0011880500000000 ] - [ -0.0002974000000000, 0.0000000000000000, 0.0009424600000000 ] - [ 0.0001149700000000, -0.0000964100000000, 0.0009286800000000 ] - [ 0.0001138600000000, 0.0000000000000000, 0.0010944800000000 ] - [ 0.0002069200000000, 0.0000972800000000, 0.0010158600000000 ] - [ 0.0000686300000000, 0.0000000000000000, 0.0013370900000000 ] - [ 0.0000823100000000, 0.0000864000000000, 0.0008979000000000 ] - [ -0.0001607400000000, 0.0000000000000000, 0.0010094600000000 ] - [ 0.0002069200000000, -0.0000972800000000, 0.0010158600000000 ] - [ -0.0001418000000000, 0.0000000000000000, 0.0010064000000000 ] - [ 0.0000824700000000, -0.0000773300000000, 0.0009756400000000 ] - [ -0.0000277400000000, 0.0000000000000000, 0.0013408500000000 ] - [ 0.0002469600000000, 0.0001620700000000, 0.0009424200000000 ] - [ -0.0002628400000000, 0.0000000000000000, 0.0013725600000000 ] - [ 0.0000824700000000, 0.0000773300000000, 0.0009756400000000 ] - [ -0.0000386200000000, 0.0000000000000000, 0.0008909100000000 ] - [ 0.0002194000000000, -0.0001524600000000, 0.0009090500000000 ] - [ 0.0002646800000000, 0.0000000000000000, 0.0011751600000000 ] - [ -0.0000047200000000, 0.0000000000000000, 0.0014586100000000 ] - [ 0.0002936600000000, 0.0001012500000000, 0.0013973000000000 ] - [ 0.0002936600000000, -0.0001012500000000, 0.0013973000000000 ]- atom: 5 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0000292200000000, 0.0000000000000000, -0.0000651600000000 ] - [ -0.0001222800000000, 0.0000000000000000, 0.0000436500000000 ] - [ -0.0017409300000000, 0.0000000000000000, 0.0006216200000000 ] - [ -0.0003081200000000, 0.0000000000000000, -0.0000681000000000 ] - [ -0.1221794900000000, 0.0000000000000000, 0.0077254300000000 ] - [ 0.0029960000000000, 0.0000000000000000, -0.0088931700000000 ] - [ -0.0016733100000000, 0.0000000000000000, 0.0006469600000000 ] - [ 0.0029551200000000, 0.0000000000000000, -0.0090215200000000 ] - [ -0.0000066000000000, 0.0000000000000000, -0.0000795600000000 ] - [ -0.0000800100000000, 0.0000000000000000, -0.0001550100000000 ] - [ 0.0000451300000000, 0.0000000000000000, -0.0000725800000000 ] - [ -0.0000552700000000, 0.0000000000000000, -0.0000568400000000 ] - [ 0.0007073100000000, 0.0000000000000000, -0.0006048300000000 ] - [ 0.0001234800000000, 0.0000000000000000, 0.0001152300000000 ] - [ 0.0033463700000000, 0.0000000000000000, -0.0007116400000000 ] - [ 0.0013158400000000, 0.0000000000000000, 0.0006761000000000 ] - [ 0.0007753500000000, 0.0000000000000000, -0.0005743900000000 ] - [ 0.0012826700000000, 0.0000000000000000, 0.0006444800000000 ] - [ -0.0000736400000000, 0.0000000000000000, 0.0000211900000000 ] - [ 0.0003464600000000, 0.0000000000000000, 0.0000316500000000 ] - [ 0.0000930800000000, 0.0000000000000000, -0.0000062800000000 ] - [ 0.0000312900000000, 0.0000000000000000, -0.0000101500000000 ] - [ -0.0000648000000000, -0.0001137400000000, 0.0000026000000000 ] - [ -0.0006870100000000, 0.0000000000000000, 0.0004392800000000 ] - [ -0.0000648000000000, 0.0001137400000000, 0.0000026000000000 ] - [ 0.0014147900000000, 0.0001580500000000, 0.0007639500000000 ] - [ -0.0111822800000000, 0.0000000000000000, -0.0004190800000000 ] - [ -0.0112900800000000, 0.0000000000000000, -0.0003395100000000 ] - [ -0.0006472200000000, -0.0010249400000000, -0.0011541600000000 ] - [ 0.0025877700000000, 0.0000000000000000, -0.0020879300000000 ] - [ -0.0001251800000000, 0.0000000000000000, -0.0002212500000000 ] - [ 0.0165917300000000, 0.0120627200000000, -0.0014657800000000 ] - [ 0.0167231100000000, -0.0121904700000000, -0.0014713700000000 ] - [ -0.0022241000000000, 0.0000000000000000, 0.0099078700000000 ] - [ -0.0004655700000000, 0.0009237700000000, -0.0011448700000000 ] - [ 0.0000158400000000, 0.0000000000000000, -0.0002327300000000 ] - [ -0.0004655700000000, -0.0009237700000000, -0.0011448700000000 ] - [ 0.0001350300000000, 0.0000379900000000, -0.0000291900000000 ] - [ -0.0000548000000000, -0.0000459000000000, -0.0000432000000000 ] - [ 0.0005317600000000, 0.0000000000000000, -0.0002774000000000 ] - [ 0.0000680300000000, 0.0000000000000000, 0.0000061600000000 ] - [ 0.0001107600000000, 0.0000000000000000, -0.0000243300000000 ] - [ 0.0001317000000000, -0.0001199300000000, 0.0000164700000000 ] - [ 0.0003414700000000, 0.0000000000000000, -0.0001886700000000 ] - [ 0.0001317000000000, 0.0001199300000000, 0.0000164700000000 ] - [ -0.0006472200000000, 0.0010249400000000, -0.0011541600000000 ] - [ 0.0061078800000000, 0.0000000000000000, -0.0001716700000000 ] - [ 0.0060812300000000, 0.0000000000000000, -0.0001546200000000 ] - [ 0.0014147900000000, -0.0001580500000000, 0.0007639500000000 ] - [ -0.0020734600000000, 0.0000000000000000, 0.0098346500000000 ] - [ -0.0002269600000000, 0.0000000000000000, 0.0004213700000000 ] - [ 0.0167231100000000, 0.0121904700000000, -0.0014713700000000 ] - [ 0.0165917300000000, -0.0120627200000000, -0.0014657800000000 ] - [ 0.0024915800000000, 0.0000000000000000, -0.0020195300000000 ] - [ 0.0015790000000000, 0.0000600400000000, 0.0007519200000000 ] - [ -0.0000844200000000, 0.0000000000000000, 0.0004075000000000 ] - [ 0.0015790000000000, -0.0000600400000000, 0.0007519200000000 ] - [ -0.0000548000000000, 0.0000459000000000, -0.0000432000000000 ] - [ 0.0001350300000000, -0.0000379900000000, -0.0000291900000000 ] - [ -0.0004973300000000, 0.0000000000000000, 0.0003527300000000 ] - [ -0.0000029400000000, 0.0001477600000000, -0.0000357200000000 ] - [ -0.0000095500000000, 0.0000000000000000, 0.0001214100000000 ] - [ -0.0000421300000000, -0.0001523800000000, -0.0000121800000000 ] - [ 0.0000008900000000, 0.0000000000000000, -0.0000126900000000 ] - [ -0.0002053600000000, 0.0000000000000000, -0.0000065300000000 ] - [ 0.0005047300000000, -0.0002284900000000, 0.0001796600000000 ] - [ 0.0000910600000000, 0.0000000000000000, -0.0001228500000000 ] - [ 0.0000038900000000, 0.0000283800000000, 0.0000794900000000 ] - [ 0.0015579300000000, 0.0000000000000000, 0.0031160300000000 ] - [ 0.0005047300000000, 0.0002284900000000, 0.0001796600000000 ] - [ -0.0001341400000000, 0.0000000000000000, -0.0004662500000000 ] - [ 0.0000038900000000, -0.0000283800000000, 0.0000794900000000 ] - [ 0.0031239200000000, 0.0000000000000000, -0.0002883100000000 ] - [ 0.0115723300000000, 0.0021032200000000, -0.0024300800000000 ] - [ 0.0001290600000000, 0.0000000000000000, 0.0002458100000000 ] - [ -0.0004685500000000, 0.0002201000000000, 0.0015818000000000 ] - [ -0.0024758100000000, 0.0000000000000000, 0.0009289300000000 ] - [ -0.0037784200000000, 0.0006082200000000, -0.0007076400000000 ] - [ 0.0031512200000000, 0.0000000000000000, -0.0025918400000000 ] - [ -0.0008290700000000, 0.0012879000000000, -0.0024231700000000 ] - [ 0.0030936100000000, 0.0000000000000000, -0.0026078700000000 ] - [ -0.0004843900000000, -0.0000994700000000, 0.0015353500000000 ] - [ 0.0152873900000000, 0.0000000000000000, 0.0056176000000000 ] - [ 0.0118860400000000, -0.0026821400000000, -0.0026769600000000 ] - [ 0.0002950500000000, 0.0000000000000000, 0.0002974300000000 ] - [ -0.0008457600000000, -0.0013943800000000, -0.0024549100000000 ] - [ 0.0031564000000000, 0.0000000000000000, -0.0001977000000000 ] - [ 0.0118860400000000, 0.0026821400000000, -0.0026769600000000 ] - [ -0.0000638800000000, 0.0000000000000000, 0.0005389900000000 ] - [ 0.0000842300000000, 0.0000029800000000, 0.0000984800000000 ] - [ 0.0017258100000000, 0.0000000000000000, 0.0030423700000000 ] - [ -0.0003204200000000, 0.0000131700000000, 0.0000178000000000 ] - [ 0.0000114900000000, 0.0000000000000000, 0.0001516000000000 ] - [ 0.0000842300000000, -0.0000029800000000, 0.0000984800000000 ] - [ 0.0003119000000000, 0.0000000000000000, -0.0001059900000000 ] - [ 0.0006640700000000, -0.0002555200000000, 0.0001018500000000 ] - [ -0.0000674500000000, 0.0000000000000000, 0.0001064000000000 ] - [ -0.0000603900000000, 0.0000000000000000, 0.0000709100000000 ] - [ 0.0000453900000000, 0.0000386800000000, 0.0000432700000000 ] - [ 0.0000453900000000, -0.0000386800000000, 0.0000432700000000 ] - [ -0.0000421300000000, 0.0001523800000000, -0.0000121800000000 ] - [ -0.0001817900000000, 0.0000000000000000, 0.0002140800000000 ] - [ -0.0000029400000000, -0.0001477600000000, -0.0000357200000000 ] - [ -0.0000476900000000, 0.0000000000000000, -0.0000375700000000 ] - [ 0.0000433900000000, 0.0000000000000000, -0.0001178500000000 ] - [ -0.0004826400000000, 0.0000174400000000, 0.0000906400000000 ] - [ 0.0000398700000000, 0.0000000000000000, -0.0001685800000000 ] - [ -0.0001518900000000, -0.0000271300000000, -0.0001495500000000 ] - [ -0.0014335600000000, 0.0000000000000000, 0.0001706400000000 ] - [ -0.0004826400000000, -0.0000174400000000, 0.0000906400000000 ] - [ -0.0001590700000000, 0.0000000000000000, 0.0005539200000000 ] - [ -0.0001518900000000, 0.0000271300000000, -0.0001495500000000 ] - [ -0.0016652800000000, 0.0000000000000000, 0.0000594600000000 ] - [ -0.0037784200000000, -0.0006082200000000, -0.0007076400000000 ] - [ -0.0002329200000000, 0.0000000000000000, -0.0009334600000000 ] - [ -0.0008290700000000, -0.0012879000000000, -0.0024231700000000 ] - [ 0.0146012400000000, 0.0000000000000000, 0.0050416600000000 ] - [ 0.0115723300000000, -0.0021032200000000, -0.0024300800000000 ] - [ -0.0049853200000000, 0.0000000000000000, 0.0025959900000000 ] - [ -0.0004685500000000, -0.0002201000000000, 0.0015818000000000 ] - [ -0.0050726700000000, 0.0000000000000000, 0.0025800200000000 ] - [ -0.0008457600000000, 0.0013943800000000, -0.0024549100000000 ] - [ -0.0026379100000000, 0.0000000000000000, 0.0008224900000000 ] - [ -0.0037528900000000, 0.0005307100000000, -0.0005480000000000 ] - [ -0.0000614100000000, 0.0000000000000000, -0.0008797100000000 ] - [ -0.0004843900000000, 0.0000994700000000, 0.0015353500000000 ] - [ -0.0016150300000000, 0.0000000000000000, 0.0001368400000000 ] - [ -0.0037528900000000, -0.0005307100000000, -0.0005480000000000 ] - [ -0.0000465800000000, 0.0000000000000000, -0.0004705000000000 ] - [ -0.0000734300000000, 0.0000578800000000, -0.0001261200000000 ] - [ -0.0012642300000000, 0.0000000000000000, 0.0001182800000000 ] - [ 0.0006640700000000, 0.0002555200000000, 0.0001018500000000 ] - [ -0.0000317600000000, 0.0000000000000000, 0.0001052700000000 ] - [ -0.0000734300000000, -0.0000578800000000, -0.0001261200000000 ] - [ 0.0000689200000000, 0.0000000000000000, 0.0000035200000000 ] - [ -0.0003204200000000, -0.0000131700000000, 0.0000178000000000 ] - [ -0.0000129300000000, 0.0000000000000000, 0.0001318100000000 ] - [ 0.0001117100000000, 0.0000000000000000, -0.0000193500000000 ] - [ 0.0000842100000000, 0.0000441900000000, 0.0000174200000000 ] - [ 0.0000842100000000, -0.0000441900000000, 0.0000174200000000 ]- atom: 5 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0000404600000000, 0.0000000000000000, -0.0000947100000000 ] - [ -0.0000263500000000, 0.0000000000000000, -0.0000771800000000 ] - [ 0.0016311500000000, 0.0000000000000000, -0.0006402600000000 ] - [ 0.0001038200000000, 0.0000000000000000, 0.0001714900000000 ] - [ 0.1221665900000000, 0.0000000000000000, -0.0077521300000000 ] - [ -0.0029048100000000, 0.0000000000000000, 0.0089565700000000 ] - [ 0.0017156600000000, 0.0000000000000000, -0.0006066700000000 ] - [ -0.0029631800000000, 0.0000000000000000, 0.0088996000000000 ] - [ -0.0000436700000000, 0.0000000000000000, 0.0000037100000000 ] - [ 0.0003251800000000, 0.0000000000000000, 0.0001067400000000 ] - [ 0.0000251200000000, 0.0000000000000000, -0.0000867500000000 ] - [ -0.0000956900000000, 0.0000000000000000, 0.0000238600000000 ] - [ -0.0008151500000000, 0.0000000000000000, 0.0005897800000000 ] - [ -0.0003247500000000, 0.0000000000000000, -0.0000141000000000 ] - [ -0.0033550300000000, 0.0000000000000000, 0.0006797900000000 ] - [ -0.0012435900000000, 0.0000000000000000, -0.0006695500000000 ] - [ -0.0007361200000000, 0.0000000000000000, 0.0006147300000000 ] - [ -0.0012774200000000, 0.0000000000000000, -0.0007116700000000 ] - [ 0.0000234800000000, 0.0000000000000000, -0.0000975200000000 ] - [ -0.0001035200000000, 0.0000000000000000, -0.0000798400000000 ] - [ 0.0000465900000000, 0.0000000000000000, -0.0000298700000000 ] - [ 0.0001205300000000, 0.0000000000000000, -0.0000250300000000 ] - [ 0.0001026900000000, -0.0001711800000000, -0.0000177500000000 ] - [ 0.0003818900000000, 0.0000000000000000, -0.0003024900000000 ] - [ 0.0001026900000000, 0.0001711800000000, -0.0000177500000000 ] - [ -0.0014872000000000, 0.0000175900000000, -0.0007786400000000 ] - [ 0.0112108400000000, 0.0000000000000000, 0.0004844300000000 ] - [ 0.0111704900000000, 0.0000000000000000, 0.0003715600000000 ] - [ 0.0005738400000000, 0.0008481700000000, 0.0011320600000000 ] - [ -0.0024905800000000, 0.0000000000000000, 0.0019712300000000 ] - [ -0.0002223100000000, 0.0000000000000000, 0.0002320000000000 ] - [ -0.0167136600000000, -0.0123222100000000, 0.0014529400000000 ] - [ -0.0165146400000000, 0.0121014800000000, 0.0014383100000000 ] - [ 0.0020917800000000, 0.0000000000000000, -0.0098424900000000 ] - [ 0.0007387300000000, -0.0009511900000000, 0.0011158200000000 ] - [ -0.0000931900000000, 0.0000000000000000, 0.0002206900000000 ] - [ 0.0007387300000000, 0.0009511900000000, 0.0011158200000000 ] - [ -0.0000827200000000, -0.0000000900000000, -0.0000611000000000 ] - [ 0.0001081900000000, 0.0000069100000000, -0.0000471600000000 ] - [ -0.0004442800000000, 0.0000000000000000, 0.0002512600000000 ] - [ 0.0000721300000000, 0.0000000000000000, -0.0000428700000000 ] - [ 0.0000397500000000, 0.0000000000000000, -0.0000116700000000 ] - [ -0.0000931900000000, -0.0001650500000000, -0.0000316400000000 ] - [ -0.0006451600000000, 0.0000000000000000, 0.0003220400000000 ] - [ -0.0000931900000000, 0.0001650500000000, -0.0000316400000000 ] - [ 0.0005738400000000, -0.0008481700000000, 0.0011320600000000 ] - [ -0.0061003400000000, 0.0000000000000000, 0.0002013600000000 ] - [ -0.0061812800000000, 0.0000000000000000, 0.0002223700000000 ] - [ -0.0014872000000000, -0.0000175900000000, -0.0007786400000000 ] - [ 0.0021801700000000, 0.0000000000000000, -0.0099646200000000 ] - [ -0.0001207800000000, 0.0000000000000000, -0.0004097100000000 ] - [ -0.0165146400000000, -0.0121014800000000, 0.0014383100000000 ] - [ -0.0167136600000000, 0.0123222100000000, 0.0014529400000000 ] - [ -0.0026129600000000, 0.0000000000000000, 0.0020732700000000 ] - [ -0.0013067100000000, -0.0000860800000000, -0.0007862800000000 ] - [ 0.0000079000000000, 0.0000000000000000, -0.0004207100000000 ] - [ -0.0013067100000000, 0.0000860800000000, -0.0007862800000000 ] - [ 0.0001081900000000, -0.0000069100000000, -0.0000471600000000 ] - [ -0.0000827200000000, 0.0000000900000000, -0.0000611000000000 ] - [ 0.0005885500000000, 0.0000000000000000, -0.0003789900000000 ] - [ -0.0000455900000000, 0.0001411000000000, 0.0000141800000000 ] - [ -0.0001839600000000, 0.0000000000000000, 0.0001588300000000 ] - [ -0.0000051400000000, -0.0001351000000000, -0.0000083500000000 ] - [ -0.0000522400000000, 0.0000000000000000, -0.0000127700000000 ] - [ 0.0000274200000000, 0.0000000000000000, -0.0000771100000000 ] - [ -0.0006223200000000, 0.0001989000000000, -0.0000863800000000 ] - [ 0.0000467400000000, 0.0000000000000000, -0.0001228100000000 ] - [ -0.0001205200000000, -0.0000130300000000, -0.0001053600000000 ] - [ -0.0018539600000000, 0.0000000000000000, -0.0029576000000000 ] - [ -0.0006223200000000, -0.0001989000000000, -0.0000863800000000 ] - [ 0.0000429400000000, 0.0000000000000000, 0.0004910200000000 ] - [ -0.0001205200000000, 0.0000130300000000, -0.0001053600000000 ] - [ -0.0031862300000000, 0.0000000000000000, 0.0002215600000000 ] - [ -0.0116945700000000, -0.0024348700000000, 0.0024791300000000 ] - [ -0.0001845700000000, 0.0000000000000000, -0.0003651900000000 ] - [ 0.0004736800000000, -0.0000000900000000, -0.0015487600000000 ] - [ 0.0026202200000000, 0.0000000000000000, -0.0008982400000000 ] - [ 0.0037669700000000, -0.0004741900000000, 0.0005712200000000 ] - [ -0.0031820900000000, 0.0000000000000000, 0.0026517700000000 ] - [ 0.0008412600000000, -0.0015107000000000, 0.0024515700000000 ] - [ -0.0032676800000000, 0.0000000000000000, 0.0026360200000000 ] - [ 0.0004436300000000, 0.0001212500000000, -0.0016028100000000 ] - [ -0.0142943300000000, 0.0000000000000000, -0.0049507300000000 ] - [ -0.0117085300000000, 0.0024684600000000, 0.0026903600000000 ] - [ -0.0000291400000000, 0.0000000000000000, -0.0003521200000000 ] - [ 0.0007990300000000, 0.0013729100000000, 0.0023923100000000 ] - [ -0.0031464200000000, 0.0000000000000000, 0.0002807200000000 ] - [ -0.0117085300000000, -0.0024684600000000, 0.0026903600000000 ] - [ 0.0001552400000000, 0.0000000000000000, -0.0005262800000000 ] - [ -0.0000443200000000, 0.0000287900000000, -0.0000912800000000 ] - [ -0.0016812300000000, 0.0000000000000000, -0.0030083600000000 ] - [ 0.0005352500000000, 0.0000878800000000, -0.0000675500000000 ] - [ -0.0000392700000000, 0.0000000000000000, 0.0001216300000000 ] - [ -0.0000443200000000, -0.0000287900000000, -0.0000912800000000 ] - [ 0.0000173500000000, 0.0000000000000000, 0.0000318100000000 ] - [ -0.0004524200000000, 0.0001563900000000, -0.0001533000000000 ] - [ 0.0000192200000000, 0.0000000000000000, 0.0001330700000000 ] - [ 0.0001063100000000, 0.0000000000000000, -0.0000848200000000 ] - [ 0.0000684700000000, 0.0000254500000000, 0.0000227000000000 ] - [ 0.0000684700000000, -0.0000254500000000, 0.0000227000000000 ] - [ -0.0000051400000000, 0.0001351000000000, -0.0000083500000000 ] - [ -0.0000115700000000, 0.0000000000000000, 0.0000714000000000 ] - [ -0.0000455900000000, -0.0001411000000000, 0.0000141800000000 ] - [ -0.0000015000000000, 0.0000000000000000, 0.0000110700000000 ] - [ -0.0002203800000000, 0.0000000000000000, 0.0000342300000000 ] - [ 0.0003606600000000, -0.0000408300000000, -0.0000004400000000 ] - [ 0.0000988300000000, 0.0000000000000000, -0.0000776000000000 ] - [ 0.0000353300000000, 0.0000425400000000, 0.0001226200000000 ] - [ 0.0011364400000000, 0.0000000000000000, -0.0000231900000000 ] - [ 0.0003606600000000, 0.0000408300000000, -0.0000004400000000 ] - [ 0.0000700000000000, 0.0000000000000000, -0.0005280000000000 ] - [ 0.0000353300000000, -0.0000425400000000, 0.0001226200000000 ] - [ 0.0015976300000000, 0.0000000000000000, -0.0001291500000000 ] - [ 0.0037669700000000, 0.0004741900000000, 0.0005712200000000 ] - [ 0.0001779000000000, 0.0000000000000000, 0.0008121900000000 ] - [ 0.0008412600000000, 0.0015107000000000, 0.0024515700000000 ] - [ -0.0156429700000000, 0.0000000000000000, -0.0058568900000000 ] - [ -0.0116945700000000, 0.0024348700000000, 0.0024791300000000 ] - [ 0.0049605500000000, 0.0000000000000000, -0.0025493600000000 ] - [ 0.0004736800000000, 0.0000000900000000, -0.0015487600000000 ] - [ 0.0048877000000000, 0.0000000000000000, -0.0025388100000000 ] - [ 0.0007990300000000, -0.0013729100000000, 0.0023923100000000 ] - [ 0.0024610800000000, 0.0000000000000000, -0.0009884300000000 ] - [ 0.0038201100000000, -0.0005356200000000, 0.0007540300000000 ] - [ 0.0003263100000000, 0.0000000000000000, 0.0008259600000000 ] - [ 0.0004436300000000, -0.0001212500000000, -0.0016028100000000 ] - [ 0.0016338200000000, 0.0000000000000000, -0.0000514000000000 ] - [ 0.0038201100000000, 0.0005356200000000, 0.0007540300000000 ] - [ 0.0001371800000000, 0.0000000000000000, 0.0004862200000000 ] - [ 0.0001134000000000, -0.0000271600000000, 0.0001341200000000 ] - [ 0.0013110200000000, 0.0000000000000000, -0.0000749300000000 ] - [ -0.0004524200000000, -0.0001563900000000, -0.0001533000000000 ] - [ 0.0000029100000000, 0.0000000000000000, 0.0001659800000000 ] - [ 0.0001134000000000, 0.0000271600000000, 0.0001341200000000 ] - [ 0.0002622000000000, 0.0000000000000000, -0.0000782100000000 ] - [ 0.0005352500000000, -0.0000878800000000, -0.0000675500000000 ] - [ -0.0000352000000000, 0.0000000000000000, 0.0001077100000000 ] - [ -0.0000656200000000, 0.0000000000000000, 0.0000066100000000 ] - [ 0.0000290000000000, 0.0000198900000000, 0.0000487400000000 ] - [ 0.0000290000000000, -0.0000198900000000, 0.0000487400000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000377700000000, -0.0000035100000000, -0.0000814900000000 ] - [ -0.0000760200000000, -0.0000032200000000, -0.0000166400000000 ] - [ -0.0000523800000000, -0.0000890100000000, -0.0000083600000000 ] - [ -0.0001037200000000, -0.0000326000000000, 0.0000550000000000 ] - [ -0.0000464100000000, -0.0786047600000000, -0.0000286200000000 ] - [ 0.0000498600000000, -0.0066514900000000, -0.0000087100000000 ] - [ 0.0000170700000000, -0.0000898700000000, 0.0000233400000000 ] - [ -0.0000058000000000, -0.0066618600000000, -0.0000179500000000 ] - [ -0.0000300100000000, -0.0000048700000000, -0.0000420900000000 ] - [ 0.0001214400000000, -0.0000332500000000, -0.0000257600000000 ] - [ 0.0000378200000000, -0.0000039900000000, -0.0000809600000000 ] - [ -0.0000756400000000, -0.0000038200000000, -0.0000160500000000 ] - [ -0.0000517200000000, -0.0003805800000000, -0.0000076600000000 ] - [ -0.0001039600000000, -0.0000316800000000, 0.0000537400000000 ] - [ -0.0000027900000000, -0.0001760100000000, -0.0000155700000000 ] - [ 0.0000426000000000, -0.0002089600000000, 0.0000094200000000 ] - [ 0.0000193300000000, -0.0003805100000000, 0.0000231200000000 ] - [ -0.0000029300000000, -0.0002069200000000, -0.0000366900000000 ] - [ -0.0000302500000000, -0.0000044800000000, -0.0000422700000000 ] - [ 0.0001211700000000, -0.0000325500000000, -0.0000252500000000 ] - [ 0.0000810500000000, 0.0000010800000000, -0.0000206800000000 ] - [ 0.0000687700000000, -0.0000022800000000, -0.0000359600000000 ] - [ 0.0000239800000000, -0.0001352900000000, 0.0000015200000000 ] - [ -0.0001481500000000, 0.0000751000000000, 0.0000692000000000 ] - [ 0.0000160300000000, 0.0001346900000000, -0.0000057800000000 ] - [ 0.0000491900000000, 0.0000937900000000, 0.0000298700000000 ] - [ 0.0000180300000000, 0.0180982600000000, -0.0000480100000000 ] - [ -0.0000647800000000, 0.0181964100000000, 0.0000989200000000 ] - [ -0.0004100900000000, -0.0000860000000000, -0.0006631800000000 ] - [ 0.0000556200000000, 0.0013417200000000, -0.0000535800000000 ] - [ -0.0001824300000000, 0.0000121000000000, 0.0000060600000000 ] - [ 0.0133051800000000, 0.0025254300000000, 0.0030747000000000 ] - [ -0.0132500000000000, 0.0026061700000000, -0.0030887000000000 ] - [ -0.0000739900000000, -0.0006532900000000, 0.0000115700000000 ] - [ 0.0005103400000000, -0.0000089600000000, 0.0006260700000000 ] - [ -0.0000336500000000, 0.0000117800000000, -0.0000040200000000 ] - [ -0.0002352900000000, 0.0000141900000000, -0.0006523900000000 ] - [ 0.0000307000000000, 0.0000272100000000, -0.0000425800000000 ] - [ 0.0000243400000000, -0.0000281900000000, -0.0000510200000000 ] - [ 0.0000398100000000, 0.0001006700000000, -0.0000169300000000 ] - [ 0.0000820500000000, 0.0000007800000000, -0.0000206200000000 ] - [ 0.0000688600000000, -0.0000018600000000, -0.0000363000000000 ] - [ 0.0000238200000000, -0.0001352200000000, 0.0000005600000000 ] - [ -0.0001476400000000, 0.0000993900000000, 0.0000683400000000 ] - [ 0.0000175900000000, 0.0001346800000000, -0.0000044700000000 ] - [ 0.0003376500000000, 0.0000902000000000, 0.0006473800000000 ] - [ -0.0000062500000000, 0.0002932300000000, 0.0000166000000000 ] - [ -0.0000393700000000, 0.0002919900000000, 0.0000338500000000 ] - [ -0.0001224600000000, -0.0000832600000000, -0.0000449900000000 ] - [ 0.0000602000000000, -0.0006468700000000, -0.0000430000000000 ] - [ -0.0001825300000000, 0.0000063600000000, 0.0000055400000000 ] - [ 0.0133781500000000, 0.0024786800000000, 0.0030617500000000 ] - [ -0.0133474100000000, 0.0025701000000000, -0.0030924300000000 ] - [ -0.0000684700000000, 0.0013554400000000, 0.0000230700000000 ] - [ 0.0002225500000000, -0.0000075600000000, 0.0000249200000000 ] - [ -0.0000337400000000, 0.0000059700000000, -0.0000040800000000 ] - [ 0.0000527000000000, 0.0000179600000000, -0.0000497800000000 ] - [ 0.0000319200000000, 0.0000276300000000, -0.0000414200000000 ] - [ 0.0000249000000000, -0.0000276600000000, -0.0000497200000000 ] - [ 0.0000401900000000, 0.0000766000000000, -0.0000169400000000 ] - [ -0.0000176500000000, 0.0001499900000000, -0.0000155100000000 ] - [ -0.0000875600000000, -0.0000106500000000, 0.0001454900000000 ] - [ -0.0000177500000000, -0.0001513500000000, -0.0000185300000000 ] - [ -0.0000256900000000, -0.0000009400000000, -0.0000138700000000 ] - [ -0.0001002700000000, 0.0000043300000000, -0.0000506200000000 ] - [ -0.0000097200000000, -0.0000292600000000, 0.0001459400000000 ] - [ 0.0000632600000000, 0.0000005900000000, -0.0001253600000000 ] - [ -0.0000619100000000, 0.0000204000000000, -0.0000042400000000 ] - [ -0.0001411200000000, -0.0012979700000000, 0.0000781600000000 ] - [ -0.0001086600000000, -0.0000147500000000, -0.0000560900000000 ] - [ -0.0000370800000000, -0.0000137300000000, 0.0000148000000000 ] - [ -0.0000607100000000, -0.0000172600000000, -0.0000251200000000 ] - [ -0.0000459100000000, 0.0012276800000000, -0.0000373400000000 ] - [ 0.0006263900000000, 0.0082411800000000, -0.0031596400000000 ] - [ -0.0000363800000000, 0.0001085400000000, -0.0000691400000000 ] - [ -0.0007019900000000, 0.0001635000000000, 0.0012616000000000 ] - [ 0.0000710300000000, -0.0022927200000000, 0.0000171700000000 ] - [ -0.0001945600000000, 0.0001462000000000, -0.0000286000000000 ] - [ -0.0000330200000000, -0.0038095200000000, 0.0000280700000000 ] - [ -0.0000734400000000, 0.0000271500000000, -0.0001822100000000 ] - [ -0.0000667200000000, -0.0038029600000000, 0.0000172300000000 ] - [ 0.0006802200000000, 0.0000604900000000, -0.0012769900000000 ] - [ -0.0001440000000000, 0.0079224100000000, -0.0001213700000000 ] - [ -0.0008896500000000, 0.0087963300000000, 0.0035751000000000 ] - [ 0.0001366100000000, 0.0001056600000000, -0.0000235600000000 ] - [ 0.0000549000000000, 0.0001289800000000, 0.0001624800000000 ] - [ 0.0000150200000000, 0.0012278700000000, 0.0000444900000000 ] - [ 0.0013236300000000, 0.0094101000000000, -0.0038922700000000 ] - [ 0.0000454900000000, -0.0000903900000000, 0.0000036400000000 ] - [ 0.0000239700000000, 0.0000161300000000, -0.0000012800000000 ] - [ 0.0000176100000000, -0.0013066200000000, 0.0000199900000000 ] - [ 0.0001679600000000, 0.0000468900000000, -0.0001054700000000 ] - [ -0.0000085100000000, 0.0000002400000000, 0.0001454700000000 ] - [ 0.0000230200000000, -0.0000128900000000, 0.0000182700000000 ] - [ 0.0001664100000000, 0.0000094300000000, -0.0000329100000000 ] - [ 0.0001526900000000, -0.0000678900000000, 0.0000722200000000 ] - [ -0.0000310200000000, -0.0000006000000000, 0.0001264000000000 ] - [ 0.0000249500000000, -0.0000050800000000, -0.0000042100000000 ] - [ 0.0000607900000000, 0.0000357700000000, 0.0000364000000000 ] - [ 0.0000595500000000, -0.0000360100000000, 0.0000374800000000 ] - [ -0.0000179700000000, 0.0001502200000000, -0.0000160300000000 ] - [ -0.0000883800000000, -0.0000052300000000, 0.0001434400000000 ] - [ -0.0000180700000000, -0.0001510900000000, -0.0000189900000000 ] - [ -0.0000258300000000, -0.0000008900000000, -0.0000137900000000 ] - [ -0.0000989800000000, 0.0000091200000000, -0.0000504200000000 ] - [ -0.0001227200000000, -0.0000101500000000, 0.0001243600000000 ] - [ 0.0000634800000000, 0.0000003600000000, -0.0001255400000000 ] - [ -0.0000648700000000, 0.0000180900000000, -0.0000061700000000 ] - [ -0.0001446800000000, 0.0000250200000000, 0.0000772500000000 ] - [ 0.0000049100000000, 0.0000084100000000, -0.0000339200000000 ] - [ -0.0000399900000000, -0.0000910800000000, 0.0000155800000000 ] - [ -0.0000578700000000, -0.0000172800000000, -0.0000237000000000 ] - [ -0.0000400700000000, -0.0000239200000000, -0.0000376000000000 ] - [ 0.0001878200000000, 0.0000200500000000, -0.0000980700000000 ] - [ -0.0000357000000000, 0.0000229800000000, -0.0000683000000000 ] - [ 0.0000842400000000, 0.0002661200000000, 0.0002137100000000 ] - [ 0.0001264400000000, 0.0079386600000000, 0.0000517500000000 ] - [ -0.0009935900000000, 0.0089595900000000, 0.0035301600000000 ] - [ -0.0000143600000000, 0.0023495700000000, 0.0000347900000000 ] - [ 0.0007081600000000, -0.0000673400000000, -0.0012324900000000 ] - [ -0.0000909100000000, 0.0023712000000000, 0.0000098800000000 ] - [ -0.0000975600000000, 0.0001588300000000, -0.0002261400000000 ] - [ -0.0000888300000000, -0.0022699500000000, -0.0000866100000000 ] - [ -0.0001599400000000, 0.0000837100000000, 0.0001373800000000 ] - [ 0.0001363500000000, 0.0000222100000000, -0.0000234000000000 ] - [ -0.0007193600000000, 0.0000382400000000, 0.0012158000000000 ] - [ 0.0000093600000000, -0.0000241300000000, 0.0000448600000000 ] - [ 0.0002205400000000, 0.0000823900000000, 0.0000606600000000 ] - [ 0.0000458200000000, -0.0000135700000000, 0.0000036100000000 ] - [ 0.0000263600000000, 0.0000153000000000, 0.0000003500000000 ] - [ 0.0000192900000000, 0.0000243000000000, 0.0000183600000000 ] - [ 0.0000536500000000, 0.0000236600000000, -0.0001275400000000 ] - [ -0.0000089700000000, -0.0000002500000000, 0.0001459500000000 ] - [ 0.0000198900000000, -0.0000144200000000, 0.0000163900000000 ] - [ 0.0001664300000000, 0.0000041800000000, -0.0000331200000000 ] - [ 0.0000381400000000, -0.0000468200000000, 0.0000504900000000 ] - [ -0.0000307000000000, -0.0000010800000000, 0.0001264000000000 ] - [ 0.0000257100000000, -0.0000110300000000, -0.0000035200000000 ] - [ 0.0000602200000000, 0.0000355700000000, 0.0000364100000000 ] - [ 0.0000595700000000, -0.0000360400000000, 0.0000378800000000 ]- atom: 5 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0000152600000000, 0.0000000000000000, 0.0008443100000000 ] - [ -0.0001230800000000, 0.0000000000000000, 0.0008378900000000 ] - [ 0.0003116500000000, 0.0000000000000000, 0.0009393600000000 ] - [ -0.0001478000000000, 0.0000000000000000, 0.0011578200000000 ] - [ -0.0096515200000000, 0.0000000000000000, -0.0806623400000000 ] - [ -0.0089792100000000, 0.0000000000000000, 0.0069302300000000 ] - [ 0.0004016200000000, 0.0000000000000000, 0.0009674700000000 ] - [ -0.0089121300000000, 0.0000000000000000, 0.0068624500000000 ] - [ -0.0000533200000000, 0.0000000000000000, 0.0008451300000000 ] - [ 0.0000706400000000, 0.0000000000000000, 0.0011151100000000 ] - [ -0.0000093600000000, 0.0000000000000000, 0.0008347800000000 ] - [ -0.0002111500000000, 0.0000000000000000, 0.0008597100000000 ] - [ -0.0005475800000000, 0.0000000000000000, 0.0005479500000000 ] - [ -0.0000274200000000, 0.0000000000000000, 0.0008937900000000 ] - [ -0.0002080600000000, 0.0000000000000000, -0.0039009800000000 ] - [ 0.0007722600000000, 0.0000000000000000, -0.0008535500000000 ] - [ -0.0004590000000000, 0.0000000000000000, 0.0005777500000000 ] - [ 0.0007340200000000, 0.0000000000000000, -0.0008782300000000 ] - [ 0.0000369300000000, 0.0000000000000000, 0.0008215600000000 ] - [ 0.0001927200000000, 0.0000000000000000, 0.0008493300000000 ] - [ 0.0000022600000000, 0.0000000000000000, 0.0013558100000000 ] - [ 0.0001512000000000, 0.0000000000000000, 0.0015435000000000 ] - [ 0.0001330200000000, -0.0001035100000000, 0.0013950000000000 ] - [ 0.0002007900000000, 0.0000000000000000, 0.0017053100000000 ] - [ 0.0001330200000000, 0.0001035100000000, 0.0013950000000000 ] - [ 0.0006962900000000, 0.0001836500000000, 0.0007841400000000 ] - [ 0.0038725100000000, 0.0000000000000000, 0.0015035000000000 ] - [ 0.0038511300000000, 0.0000000000000000, 0.0014067100000000 ] - [ -0.0008997700000000, -0.0005808900000000, 0.0021886800000000 ] - [ -0.0015595800000000, 0.0000000000000000, -0.0003842300000000 ] - [ -0.0003108800000000, 0.0000000000000000, 0.0015822600000000 ] - [ 0.0005563100000000, 0.0050825800000000, -0.0140554700000000 ] - [ 0.0004777900000000, -0.0050490400000000, -0.0140524600000000 ] - [ 0.0043003800000000, 0.0000000000000000, 0.0074865000000000 ] - [ -0.0007309400000000, 0.0004607100000000, 0.0021712200000000 ] - [ -0.0001782900000000, 0.0000000000000000, 0.0015805800000000 ] - [ -0.0007309400000000, -0.0004607100000000, 0.0021712200000000 ] - [ 0.0000524500000000, -0.0000342400000000, 0.0012791000000000 ] - [ 0.0000677300000000, 0.0000591600000000, 0.0013718000000000 ] - [ -0.0002763800000000, 0.0000000000000000, 0.0012868300000000 ] - [ 0.0000365000000000, 0.0000000000000000, 0.0013698700000000 ] - [ 0.0001271200000000, 0.0000000000000000, 0.0014984600000000 ] - [ 0.0001135900000000, -0.0000822900000000, 0.0013010800000000 ] - [ -0.0004800900000000, 0.0000000000000000, 0.0013719700000000 ] - [ 0.0001135900000000, 0.0000822900000000, 0.0013010800000000 ] - [ -0.0008997700000000, 0.0005808900000000, 0.0021886800000000 ] - [ 0.0013172700000000, 0.0000000000000000, -0.0015122100000000 ] - [ 0.0012778800000000, 0.0000000000000000, -0.0015313000000000 ] - [ 0.0006962900000000, -0.0001836500000000, 0.0007841400000000 ] - [ 0.0043295400000000, 0.0000000000000000, 0.0073020800000000 ] - [ -0.0000974600000000, 0.0000000000000000, 0.0013756400000000 ] - [ 0.0004777900000000, 0.0050490400000000, -0.0140524600000000 ] - [ 0.0005563100000000, -0.0050825800000000, -0.0140554700000000 ] - [ -0.0016942000000000, 0.0000000000000000, -0.0002977600000000 ] - [ 0.0008585900000000, 0.0000727300000000, 0.0007808200000000 ] - [ 0.0000306000000000, 0.0000000000000000, 0.0013750900000000 ] - [ 0.0008585900000000, -0.0000727300000000, 0.0007808200000000 ] - [ 0.0000677300000000, -0.0000591600000000, 0.0013718000000000 ] - [ 0.0000524500000000, 0.0000342400000000, 0.0012791000000000 ] - [ 0.0004087900000000, 0.0000000000000000, 0.0016216300000000 ] - [ -0.0001343300000000, 0.0001679600000000, -0.0009173100000000 ] - [ -0.0001012700000000, 0.0000000000000000, -0.0011238000000000 ] - [ -0.0000954400000000, -0.0001588300000000, -0.0008883800000000 ] - [ 0.0000695500000000, 0.0000000000000000, -0.0009766400000000 ] - [ 0.0001300700000000, 0.0000000000000000, -0.0008720000000000 ] - [ -0.0003880200000000, 0.0000407200000000, -0.0011170200000000 ] - [ 0.0000950100000000, 0.0000000000000000, -0.0010971000000000 ] - [ -0.0001226000000000, -0.0000743300000000, -0.0008888100000000 ] - [ -0.0004896900000000, 0.0000000000000000, -0.0017453800000000 ] - [ -0.0003880200000000, -0.0000407200000000, -0.0011170200000000 ] - [ -0.0002186600000000, 0.0000000000000000, -0.0006554600000000 ] - [ -0.0001226000000000, 0.0000743300000000, -0.0008888100000000 ] - [ 0.0006173900000000, 0.0000000000000000, -0.0032932300000000 ] - [ 0.0006472700000000, -0.0040703100000000, 0.0143678900000000 ] - [ 0.0004042300000000, 0.0000000000000000, -0.0014718300000000 ] - [ 0.0011456600000000, 0.0002713800000000, -0.0004990600000000 ] - [ 0.0023200200000000, 0.0000000000000000, 0.0029480400000000 ] - [ -0.0014928500000000, 0.0008864000000000, 0.0017236400000000 ] - [ -0.0025800300000000, 0.0000000000000000, 0.0048657200000000 ] - [ -0.0010685400000000, 0.0007580800000000, -0.0008611600000000 ] - [ -0.0026434000000000, 0.0000000000000000, 0.0048338900000000 ] - [ 0.0011042800000000, -0.0001431100000000, -0.0005523400000000 ] - [ 0.0055152100000000, 0.0000000000000000, 0.0169363300000000 ] - [ 0.0006895400000000, 0.0040372700000000, 0.0145310500000000 ] - [ 0.0005546600000000, 0.0000000000000000, -0.0014672200000000 ] - [ -0.0010978100000000, -0.0008780300000000, -0.0009109500000000 ] - [ 0.0006602800000000, 0.0000000000000000, -0.0032251900000000 ] - [ 0.0006895400000000, -0.0040372700000000, 0.0145310500000000 ] - [ 0.0004623100000000, 0.0000000000000000, -0.0009262900000000 ] - [ -0.0000578000000000, 0.0001168400000000, -0.0008850800000000 ] - [ -0.0003151000000000, 0.0000000000000000, -0.0017970400000000 ] - [ 0.0001864700000000, 0.0000284700000000, -0.0005937400000000 ] - [ 0.0000234700000000, 0.0000000000000000, -0.0010249200000000 ] - [ -0.0000578000000000, -0.0001168400000000, -0.0008850800000000 ] - [ 0.0002536300000000, 0.0000000000000000, -0.0009513400000000 ] - [ -0.0002118700000000, -0.0000117400000000, -0.0011808900000000 ] - [ 0.0000273300000000, 0.0000000000000000, -0.0007723300000000 ] - [ 0.0001114700000000, 0.0000000000000000, -0.0011104400000000 ] - [ -0.0000094200000000, 0.0000250800000000, -0.0008297000000000 ] - [ -0.0000094200000000, -0.0000250800000000, -0.0008297000000000 ] - [ -0.0000954400000000, 0.0001588300000000, -0.0008883800000000 ] - [ -0.0000126500000000, 0.0000000000000000, -0.0009704500000000 ] - [ -0.0001343300000000, -0.0001679600000000, -0.0009173100000000 ] - [ 0.0000666900000000, 0.0000000000000000, -0.0009379600000000 ] - [ -0.0000054700000000, 0.0000000000000000, -0.0009441000000000 ] - [ 0.0000118100000000, 0.0000237200000000, -0.0005259400000000 ] - [ 0.0000975300000000, 0.0000000000000000, -0.0010625400000000 ] - [ -0.0001743100000000, -0.0000672700000000, -0.0007908100000000 ] - [ -0.0003405000000000, 0.0000000000000000, 0.0004685800000000 ] - [ 0.0000118100000000, -0.0000237200000000, -0.0005259400000000 ] - [ 0.0003780600000000, 0.0000000000000000, -0.0009250900000000 ] - [ -0.0001743100000000, 0.0000672700000000, -0.0007908100000000 ] - [ -0.0001708400000000, 0.0000000000000000, 0.0001052400000000 ] - [ -0.0014928500000000, -0.0008864000000000, 0.0017236400000000 ] - [ -0.0002261700000000, 0.0000000000000000, -0.0011624100000000 ] - [ -0.0010685400000000, -0.0007580800000000, -0.0008611600000000 ] - [ 0.0052061300000000, 0.0000000000000000, 0.0167234700000000 ] - [ 0.0006472700000000, 0.0040703100000000, 0.0143678900000000 ] - [ 0.0011218700000000, 0.0000000000000000, 0.0037726200000000 ] - [ 0.0011456600000000, -0.0002713800000000, -0.0004990600000000 ] - [ 0.0010601600000000, 0.0000000000000000, 0.0037521800000000 ] - [ -0.0010978100000000, 0.0008780300000000, -0.0009109500000000 ] - [ 0.0021626800000000, 0.0000000000000000, 0.0028682300000000 ] - [ -0.0014555700000000, 0.0008324900000000, 0.0018940100000000 ] - [ -0.0000681000000000, 0.0000000000000000, -0.0011569700000000 ] - [ 0.0011042800000000, 0.0001431100000000, -0.0005523400000000 ] - [ -0.0001257500000000, 0.0000000000000000, 0.0001733100000000 ] - [ -0.0014555700000000, -0.0008324900000000, 0.0018940100000000 ] - [ -0.0001351600000000, 0.0000000000000000, -0.0006588300000000 ] - [ -0.0001094100000000, 0.0001079000000000, -0.0007868000000000 ] - [ -0.0001640100000000, 0.0000000000000000, 0.0004013200000000 ] - [ -0.0002118700000000, 0.0000117400000000, -0.0011808900000000 ] - [ 0.0000226100000000, 0.0000000000000000, -0.0009870600000000 ] - [ -0.0001094100000000, -0.0001079000000000, -0.0007868000000000 ] - [ 0.0003844400000000, 0.0000000000000000, -0.0008804600000000 ] - [ 0.0001864700000000, -0.0000284700000000, -0.0005937400000000 ] - [ 0.0000270400000000, 0.0000000000000000, -0.0008099000000000 ] - [ 0.0000196600000000, 0.0000000000000000, -0.0012613700000000 ] - [ -0.0000467600000000, 0.0000170800000000, -0.0008581800000000 ] - [ -0.0000467600000000, -0.0000170800000000, -0.0008581800000000 ]- atom: 5 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0000483300000000, 0.0000000000000000, -0.0009963600000000 ] - [ -0.0000255700000000, 0.0000000000000000, -0.0008742000000000 ] - [ -0.0004280700000000, 0.0000000000000000, -0.0009586300000000 ] - [ -0.0000508300000000, 0.0000000000000000, -0.0010691500000000 ] - [ 0.0096190500000000, 0.0000000000000000, 0.0805688200000000 ] - [ 0.0089303200000000, 0.0000000000000000, -0.0068763800000000 ] - [ -0.0003581500000000, 0.0000000000000000, -0.0009278300000000 ] - [ 0.0090353400000000, 0.0000000000000000, -0.0069836900000000 ] - [ 0.0000087000000000, 0.0000000000000000, -0.0009190500000000 ] - [ 0.0001749500000000, 0.0000000000000000, -0.0011578200000000 ] - [ 0.0000732700000000, 0.0000000000000000, -0.0009868400000000 ] - [ 0.0000608500000000, 0.0000000000000000, -0.0008951200000000 ] - [ 0.0004285200000000, 0.0000000000000000, -0.0005679900000000 ] - [ -0.0001702200000000, 0.0000000000000000, -0.0008063700000000 ] - [ 0.0001939000000000, 0.0000000000000000, 0.0038715000000000 ] - [ -0.0006985800000000, 0.0000000000000000, 0.0008430500000000 ] - [ 0.0005051000000000, 0.0000000000000000, -0.0005375000000000 ] - [ -0.0007339300000000, 0.0000000000000000, 0.0008215500000000 ] - [ -0.0000822600000000, 0.0000000000000000, -0.0008950900000000 ] - [ 0.0000519700000000, 0.0000000000000000, -0.0008907100000000 ] - [ 0.0001163200000000, 0.0000000000000000, -0.0013866900000000 ] - [ 0.0000120400000000, 0.0000000000000000, -0.0015476400000000 ] - [ -0.0000981200000000, -0.0001978500000000, -0.0014209600000000 ] - [ -0.0005101500000000, 0.0000000000000000, -0.0015805000000000 ] - [ -0.0000981200000000, 0.0001978500000000, -0.0014209600000000 ] - [ -0.0007645300000000, -0.0000040800000000, -0.0008063100000000 ] - [ -0.0038380700000000, 0.0000000000000000, -0.0014478900000000 ] - [ -0.0039752300000000, 0.0000000000000000, -0.0013663800000000 ] - [ 0.0008215100000000, 0.0003869300000000, -0.0022041100000000 ] - [ 0.0016590300000000, 0.0000000000000000, 0.0002713600000000 ] - [ -0.0000277300000000, 0.0000000000000000, -0.0015706700000000 ] - [ -0.0004589900000000, -0.0051372700000000, 0.0140548600000000 ] - [ -0.0004845300000000, 0.0051594200000000, 0.0140084900000000 ] - [ -0.0043381800000000, 0.0000000000000000, -0.0073704400000000 ] - [ 0.0010110000000000, -0.0005034200000000, -0.0022117700000000 ] - [ 0.0000983000000000, 0.0000000000000000, -0.0015946100000000 ] - [ 0.0010110000000000, 0.0005034200000000, -0.0022117700000000 ] - [ -0.0000029800000000, 0.0000584300000000, -0.0013619600000000 ] - [ -0.0000182400000000, -0.0000837000000000, -0.0014553400000000 ] - [ 0.0003710000000000, 0.0000000000000000, -0.0013096900000000 ] - [ 0.0000828100000000, 0.0000000000000000, -0.0014010500000000 ] - [ 0.0000360700000000, 0.0000000000000000, -0.0015025900000000 ] - [ -0.0000787400000000, -0.0002186200000000, -0.0013275000000000 ] - [ 0.0001667000000000, 0.0000000000000000, -0.0012503800000000 ] - [ -0.0000787400000000, 0.0002186200000000, -0.0013275000000000 ] - [ 0.0008215100000000, -0.0003869300000000, -0.0022041100000000 ] - [ -0.0013132700000000, 0.0000000000000000, 0.0015598900000000 ] - [ -0.0013710200000000, 0.0000000000000000, 0.0015801200000000 ] - [ -0.0007645300000000, 0.0000040800000000, -0.0008063100000000 ] - [ -0.0043122200000000, 0.0000000000000000, -0.0074805600000000 ] - [ -0.0002396300000000, 0.0000000000000000, -0.0013665200000000 ] - [ -0.0004845300000000, -0.0051594200000000, 0.0140084900000000 ] - [ -0.0004589900000000, 0.0051372700000000, 0.0140548600000000 ] - [ 0.0015746800000000, 0.0000000000000000, 0.0003487100000000 ] - [ -0.0005884100000000, -0.0001012900000000, -0.0008150000000000 ] - [ -0.0001120600000000, 0.0000000000000000, -0.0013865200000000 ] - [ -0.0005884100000000, 0.0001012900000000, -0.0008150000000000 ] - [ -0.0000182400000000, 0.0000837000000000, -0.0014553400000000 ] - [ -0.0000029800000000, -0.0000584300000000, -0.0013619600000000 ] - [ -0.0003189800000000, 0.0000000000000000, -0.0016476400000000 ] - [ 0.0000829800000000, 0.0001033200000000, 0.0009082200000000 ] - [ -0.0000992100000000, 0.0000000000000000, 0.0014110500000000 ] - [ 0.0000444200000000, -0.0001122700000000, 0.0008793700000000 ] - [ -0.0001252000000000, 0.0000000000000000, 0.0009557900000000 ] - [ -0.0002823100000000, 0.0000000000000000, 0.0007939800000000 ] - [ 0.0002618000000000, -0.0000646600000000, 0.0012046900000000 ] - [ 0.0000510400000000, 0.0000000000000000, 0.0008595500000000 ] - [ 0.0000087700000000, 0.0000750300000000, 0.0008638300000000 ] - [ 0.0001923700000000, 0.0000000000000000, 0.0019191300000000 ] - [ 0.0002618000000000, 0.0000646600000000, 0.0012046900000000 ] - [ 0.0001261000000000, 0.0000000000000000, 0.0006783300000000 ] - [ 0.0000087700000000, -0.0000750300000000, 0.0008638300000000 ] - [ -0.0006717100000000, 0.0000000000000000, 0.0031960800000000 ] - [ -0.0008640100000000, 0.0036444100000000, -0.0142537300000000 ] - [ -0.0004441600000000, 0.0000000000000000, 0.0013680200000000 ] - [ -0.0011258800000000, -0.0000459200000000, 0.0005401300000000 ] - [ -0.0021876200000000, 0.0000000000000000, -0.0029228800000000 ] - [ 0.0014751400000000, -0.0007629100000000, -0.0018573800000000 ] - [ 0.0025433100000000, 0.0000000000000000, -0.0048069800000000 ] - [ 0.0010812000000000, -0.0009798900000000, 0.0008993000000000 ] - [ 0.0024772000000000, 0.0000000000000000, -0.0048017800000000 ] - [ -0.0011602400000000, 0.0001734000000000, 0.0004770200000000 ] - [ -0.0049481900000000, 0.0000000000000000, -0.0166269200000000 ] - [ -0.0004133700000000, -0.0043453400000000, -0.0145740400000000 ] - [ -0.0002972700000000, 0.0000000000000000, 0.0014094300000000 ] - [ 0.0010492300000000, 0.0008519400000000, 0.0008386200000000 ] - [ -0.0006440800000000, 0.0000000000000000, 0.0033437200000000 ] - [ -0.0004133700000000, 0.0043453400000000, -0.0145740400000000 ] - [ -0.0003777600000000, 0.0000000000000000, 0.0009442200000000 ] - [ 0.0000954200000000, -0.0000822900000000, 0.0008874000000000 ] - [ 0.0003613100000000, 0.0000000000000000, 0.0018194200000000 ] - [ 0.0000337400000000, 0.0000849500000000, 0.0005487300000000 ] - [ -0.0000598000000000, 0.0000000000000000, 0.0012770100000000 ] - [ 0.0000954200000000, 0.0000822900000000, 0.0008874000000000 ] - [ 0.0000723000000000, 0.0000000000000000, 0.0008725300000000 ] - [ 0.0004341700000000, -0.0000993100000000, 0.0011393800000000 ] - [ -0.0000484600000000, 0.0000000000000000, 0.0009972300000000 ] - [ -0.0000739500000000, 0.0000000000000000, 0.0010903100000000 ] - [ 0.0001085600000000, 0.0000259500000000, 0.0008884700000000 ] - [ 0.0001085600000000, -0.0000259500000000, 0.0008884700000000 ] - [ 0.0000444200000000, 0.0001122700000000, 0.0008793700000000 ] - [ -0.0001873200000000, 0.0000000000000000, 0.0012586100000000 ] - [ 0.0000829800000000, -0.0001033200000000, 0.0009082200000000 ] - [ -0.0001224000000000, 0.0000000000000000, 0.0009172200000000 ] - [ -0.0001480200000000, 0.0000000000000000, 0.0008658600000000 ] - [ -0.0001357800000000, -0.0000452600000000, 0.0006168700000000 ] - [ 0.0000487100000000, 0.0000000000000000, 0.0008252000000000 ] - [ 0.0000602100000000, 0.0000680900000000, 0.0007665600000000 ] - [ 0.0000380800000000, 0.0000000000000000, -0.0003065700000000 ] - [ -0.0001357800000000, 0.0000452600000000, 0.0006168700000000 ] - [ -0.0004680000000000, 0.0000000000000000, 0.0009478600000000 ] - [ 0.0000602100000000, -0.0000680900000000, 0.0007665600000000 ] - [ 0.0001095800000000, 0.0000000000000000, -0.0001646100000000 ] - [ 0.0014751400000000, 0.0007629100000000, -0.0018573800000000 ] - [ 0.0001807400000000, 0.0000000000000000, 0.0010633300000000 ] - [ 0.0010812000000000, 0.0009798900000000, 0.0008993000000000 ] - [ -0.0058115400000000, 0.0000000000000000, -0.0171652000000000 ] - [ -0.0008640100000000, -0.0036444100000000, -0.0142537300000000 ] - [ -0.0011558800000000, 0.0000000000000000, -0.0037199300000000 ] - [ -0.0011258800000000, 0.0000459200000000, 0.0005401300000000 ] - [ -0.0012287600000000, 0.0000000000000000, -0.0037136500000000 ] - [ 0.0010492300000000, -0.0008519400000000, 0.0008386200000000 ] - [ -0.0023245200000000, 0.0000000000000000, -0.0030239700000000 ] - [ 0.0015283400000000, -0.0008314900000000, -0.0016898200000000 ] - [ 0.0003315700000000, 0.0000000000000000, 0.0010944500000000 ] - [ -0.0011602400000000, -0.0001734000000000, 0.0004770200000000 ] - [ 0.0001485500000000, 0.0000000000000000, -0.0000935500000000 ] - [ 0.0015283400000000, 0.0008314900000000, -0.0016898200000000 ] - [ 0.0002224900000000, 0.0000000000000000, 0.0006766000000000 ] - [ 0.0001472700000000, -0.0000731000000000, 0.0007884500000000 ] - [ 0.0002161000000000, 0.0000000000000000, -0.0003672100000000 ] - [ 0.0004341700000000, 0.0000993100000000, 0.0011393800000000 ] - [ -0.0000589300000000, 0.0000000000000000, 0.0012386300000000 ] - [ 0.0001472700000000, 0.0000731000000000, 0.0007884500000000 ] - [ -0.0000597500000000, 0.0000000000000000, 0.0008013900000000 ] - [ 0.0000337400000000, -0.0000849500000000, 0.0005487300000000 ] - [ -0.0000483700000000, 0.0000000000000000, 0.0010349500000000 ] - [ 0.0000183900000000, 0.0000000000000000, 0.0012422200000000 ] - [ 0.0001462000000000, 0.0000340100000000, 0.0009168400000000 ] - [ 0.0001462000000000, -0.0000340100000000, 0.0009168400000000 ]- atom: 6 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0000034500000000, 0.0000000000000000, -0.0000078700000000 ] - [ 0.0001462300000000, 0.0000000000000000, 0.0000232800000000 ] - [ 0.0012125000000000, 0.0000000000000000, 0.0005531300000000 ] - [ -0.0012491100000000, 0.0000000000000000, 0.0006422100000000 ] - [ 0.0029349700000000, 0.0000000000000000, -0.0095170100000000 ] - [ -0.0811315200000000, 0.0000000000000000, -0.0069342100000000 ] - [ -0.0001810700000000, 0.0000000000000000, 0.0000007000000000 ] - [ 0.0004825600000000, 0.0000000000000000, -0.0005390700000000 ] - [ 0.0000088800000000, 0.0000000000000000, -0.0000153700000000 ] - [ 0.0001232600000000, 0.0000000000000000, -0.0000200000000000 ] - [ 0.0000611000000000, 0.0000000000000000, -0.0000667300000000 ] - [ -0.0002838100000000, 0.0000000000000000, -0.0000364800000000 ] - [ 0.0029078000000000, 0.0000000000000000, -0.0094571100000000 ] - [ 0.0003828600000000, 0.0000000000000000, -0.0004589200000000 ] - [ 0.0012726700000000, 0.0000000000000000, 0.0005385000000000 ] - [ 0.0023798600000000, 0.0000000000000000, -0.0007508300000000 ] - [ 0.0002485800000000, 0.0000000000000000, 0.0000594800000000 ] - [ -0.0011512400000000, 0.0000000000000000, 0.0005752900000000 ] - [ -0.0000530500000000, 0.0000000000000000, 0.0000117700000000 ] - [ 0.0001120900000000, 0.0000000000000000, 0.0000620900000000 ] - [ -0.0000478400000000, 0.0000000000000000, 0.0000313900000000 ] - [ 0.0000680000000000, 0.0000000000000000, 0.0001236300000000 ] - [ -0.0001568400000000, -0.0001770900000000, 0.0003175100000000 ] - [ 0.0016252900000000, 0.0000000000000000, 0.0018561700000000 ] - [ -0.0001568400000000, 0.0001770900000000, 0.0003175100000000 ] - [ 0.0031059500000000, 0.0007002100000000, -0.0009369600000000 ] - [ 0.0000100500000000, 0.0000000000000000, -0.0016724700000000 ] - [ 0.0035129700000000, 0.0000000000000000, 0.0001937700000000 ] - [ -0.0096392000000000, -0.0073338600000000, 0.0071048000000000 ] - [ 0.0007128300000000, 0.0000000000000000, 0.0000296900000000 ] - [ -0.0006407300000000, 0.0000000000000000, 0.0001188500000000 ] - [ -0.0095281500000000, 0.0071802600000000, 0.0070839000000000 ] - [ 0.0031668200000000, -0.0005864000000000, -0.0009519500000000 ] - [ 0.0120646100000000, 0.0000000000000000, -0.0000508500000000 ] - [ 0.0002421300000000, 0.0000751900000000, -0.0001937300000000 ] - [ 0.0000056300000000, 0.0000000000000000, 0.0000149400000000 ] - [ 0.0002421300000000, -0.0000751900000000, -0.0001937300000000 ] - [ 0.0000219500000000, 0.0000051900000000, 0.0000140100000000 ] - [ 0.0000238400000000, -0.0000128600000000, 0.0000184900000000 ] - [ 0.0001797200000000, 0.0000000000000000, 0.0000566600000000 ] - [ 0.0001917700000000, 0.0000000000000000, 0.0000514200000000 ] - [ 0.0000795200000000, 0.0000000000000000, 0.0000047400000000 ] - [ 0.0001224400000000, -0.0000587300000000, -0.0001834300000000 ] - [ -0.0001351800000000, 0.0000000000000000, -0.0016290000000000 ] - [ 0.0001224400000000, 0.0000587300000000, -0.0001834300000000 ] - [ -0.0096392000000000, 0.0073338600000000, 0.0071048000000000 ] - [ 0.0017979300000000, 0.0000000000000000, 0.0018240300000000 ] - [ 0.0119963500000000, 0.0000000000000000, -0.0001131300000000 ] - [ 0.0031059500000000, -0.0007002100000000, -0.0009369600000000 ] - [ -0.0004036100000000, 0.0000000000000000, 0.0000526000000000 ] - [ 0.0004966600000000, 0.0000000000000000, 0.0000976000000000 ] - [ 0.0031668200000000, 0.0005864000000000, -0.0009519500000000 ] - [ -0.0095281500000000, -0.0071802600000000, 0.0070839000000000 ] - [ 0.0034884900000000, 0.0000000000000000, 0.0002339000000000 ] - [ -0.0000405000000000, -0.0000456100000000, 0.0003149800000000 ] - [ -0.0000789900000000, 0.0000000000000000, 0.0000974400000000 ] - [ -0.0000405000000000, 0.0000456100000000, 0.0003149800000000 ] - [ 0.0000238400000000, 0.0000128600000000, 0.0000184900000000 ] - [ 0.0000219500000000, -0.0000051900000000, 0.0000140100000000 ] - [ -0.0000702900000000, 0.0000000000000000, 0.0000328600000000 ] - [ -0.0001160800000000, 0.0001517500000000, -0.0001294700000000 ] - [ -0.0002231800000000, 0.0000000000000000, -0.0004519000000000 ] - [ 0.0000498500000000, -0.0001049000000000, 0.0000352400000000 ] - [ 0.0000637700000000, 0.0000000000000000, -0.0001116300000000 ] - [ 0.0001082200000000, 0.0000000000000000, 0.0001134700000000 ] - [ -0.0008195400000000, -0.0007875700000000, -0.0021446800000000 ] - [ 0.0001512800000000, 0.0000000000000000, -0.0002117900000000 ] - [ 0.0003009000000000, -0.0000240500000000, -0.0000582800000000 ] - [ 0.0018959500000000, 0.0000000000000000, -0.0022400100000000 ] - [ -0.0008195400000000, 0.0007875700000000, -0.0021446800000000 ] - [ -0.0016101600000000, 0.0000000000000000, 0.0003933200000000 ] - [ 0.0003009000000000, 0.0000240500000000, -0.0000582800000000 ] - [ 0.0173256400000000, 0.0000000000000000, 0.0028758700000000 ] - [ 0.0124846300000000, -0.0035710100000000, -0.0015517000000000 ] - [ 0.0029249600000000, 0.0000000000000000, -0.0000122400000000 ] - [ 0.0122781000000000, 0.0031296700000000, -0.0010886900000000 ] - [ -0.0009747400000000, 0.0000000000000000, -0.0001079600000000 ] - [ -0.0032009800000000, -0.0011169300000000, -0.0005391700000000 ] - [ -0.0027870600000000, 0.0000000000000000, 0.0007802300000000 ] - [ -0.0031660200000000, 0.0010633900000000, -0.0004580100000000 ] - [ 0.0018962000000000, 0.0000000000000000, 0.0016880100000000 ] - [ -0.0002909300000000, 0.0000416400000000, 0.0000557200000000 ] - [ -0.0037552400000000, 0.0000000000000000, 0.0024252000000000 ] - [ -0.0004456500000000, 0.0001259900000000, 0.0012671600000000 ] - [ 0.0000850300000000, 0.0000000000000000, -0.0000240300000000 ] - [ 0.0003221200000000, -0.0000399200000000, -0.0000880000000000 ] - [ 0.0001920500000000, 0.0000000000000000, 0.0001919100000000 ] - [ -0.0004456500000000, -0.0001259900000000, 0.0012671600000000 ] - [ -0.0000508000000000, 0.0000000000000000, 0.0000631900000000 ] - [ 0.0000050900000000, 0.0000224400000000, -0.0000191600000000 ] - [ 0.0000716300000000, 0.0000000000000000, 0.0005094500000000 ] - [ 0.0000172000000000, 0.0000379500000000, -0.0001436700000000 ] - [ -0.0000339500000000, 0.0000000000000000, 0.0000687700000000 ] - [ 0.0000050900000000, -0.0000224400000000, -0.0000191600000000 ] - [ 0.0001901700000000, 0.0000000000000000, -0.0000757900000000 ] - [ 0.0001883100000000, -0.0000888900000000, 0.0000174300000000 ] - [ 0.0000106800000000, 0.0000000000000000, 0.0000803300000000 ] - [ -0.0000003900000000, 0.0000000000000000, -0.0000719800000000 ] - [ 0.0000344400000000, 0.0000253600000000, 0.0000121300000000 ] - [ 0.0000344400000000, -0.0000253600000000, 0.0000121300000000 ] - [ 0.0000498500000000, 0.0001049000000000, 0.0000352400000000 ] - [ -0.0000588900000000, 0.0000000000000000, 0.0006284600000000 ] - [ -0.0001160800000000, -0.0001517500000000, -0.0001294700000000 ] - [ -0.0001215200000000, 0.0000000000000000, 0.0000455500000000 ] - [ -0.0002186100000000, 0.0000000000000000, -0.0005069100000000 ] - [ -0.0005487400000000, -0.0001238700000000, 0.0012020600000000 ] - [ 0.0000297400000000, 0.0000000000000000, -0.0001085300000000 ] - [ -0.0003191600000000, -0.0000284600000000, 0.0000749900000000 ] - [ -0.0037815300000000, 0.0000000000000000, 0.0025777600000000 ] - [ -0.0005487400000000, 0.0001238700000000, 0.0012020600000000 ] - [ 0.0019235000000000, 0.0000000000000000, 0.0016831700000000 ] - [ -0.0003191600000000, 0.0000284600000000, 0.0000749900000000 ] - [ -0.0028107300000000, 0.0000000000000000, 0.0007232900000000 ] - [ -0.0032009800000000, 0.0011169300000000, -0.0005391700000000 ] - [ -0.0010575200000000, 0.0000000000000000, -0.0001750500000000 ] - [ -0.0031660200000000, -0.0010633900000000, -0.0004580100000000 ] - [ 0.0029951500000000, 0.0000000000000000, 0.0000578800000000 ] - [ 0.0124846300000000, 0.0035710100000000, -0.0015517000000000 ] - [ 0.0170416400000000, 0.0000000000000000, 0.0026189000000000 ] - [ 0.0122781000000000, -0.0031296700000000, -0.0010886900000000 ] - [ -0.0016576200000000, 0.0000000000000000, 0.0004046900000000 ] - [ 0.0003221200000000, 0.0000399200000000, -0.0000880000000000 ] - [ 0.0019619000000000, 0.0000000000000000, -0.0023827800000000 ] - [ -0.0007142400000000, 0.0007906300000000, -0.0020813800000000 ] - [ 0.0002028800000000, 0.0000000000000000, -0.0001391400000000 ] - [ -0.0002909300000000, -0.0000416400000000, 0.0000557200000000 ] - [ -0.0001236300000000, 0.0000000000000000, -0.0004282400000000 ] - [ -0.0007142400000000, -0.0007906300000000, -0.0020813800000000 ] - [ 0.0001382500000000, 0.0000000000000000, -0.0000894000000000 ] - [ 0.0000273500000000, 0.0000246500000000, -0.0000521000000000 ] - [ -0.0001040000000000, 0.0000000000000000, -0.0005782800000000 ] - [ 0.0001883100000000, 0.0000888900000000, 0.0000174300000000 ] - [ 0.0000060000000000, 0.0000000000000000, 0.0000866900000000 ] - [ 0.0000273500000000, -0.0000246500000000, -0.0000521000000000 ] - [ 0.0001435700000000, 0.0000000000000000, -0.0000807200000000 ] - [ 0.0000172000000000, -0.0000379500000000, -0.0001436700000000 ] - [ -0.0000289200000000, 0.0000000000000000, 0.0000649000000000 ] - [ 0.0000368000000000, 0.0000000000000000, -0.0000514700000000 ] - [ 0.0000565900000000, 0.0000287700000000, -0.0000231700000000 ] - [ 0.0000565900000000, -0.0000287700000000, -0.0000231700000000 ]- atom: 6 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0000621800000000, 0.0000000000000000, -0.0001465200000000 ] - [ -0.0003002600000000, 0.0000000000000000, -0.0000557000000000 ] - [ -0.0013326100000000, 0.0000000000000000, -0.0005661300000000 ] - [ 0.0010485500000000, 0.0000000000000000, -0.0005560800000000 ] - [ -0.0029629300000000, 0.0000000000000000, 0.0094049600000000 ] - [ 0.0812228900000000, 0.0000000000000000, 0.0069837000000000 ] - [ 0.0002255200000000, 0.0000000000000000, 0.0000381900000000 ] - [ -0.0004811300000000, 0.0000000000000000, 0.0004779200000000 ] - [ -0.0000567700000000, 0.0000000000000000, -0.0000606200000000 ] - [ 0.0001208400000000, 0.0000000000000000, -0.0000228400000000 ] - [ 0.0000046000000000, 0.0000000000000000, -0.0000877500000000 ] - [ 0.0001298700000000, 0.0000000000000000, 0.0000029400000000 ] - [ -0.0030125200000000, 0.0000000000000000, 0.0095208400000000 ] - [ -0.0005788900000000, 0.0000000000000000, 0.0005459000000000 ] - [ -0.0012846900000000, 0.0000000000000000, -0.0005740100000000 ] - [ -0.0023094900000000, 0.0000000000000000, 0.0007430600000000 ] - [ -0.0002042100000000, 0.0000000000000000, -0.0000212300000000 ] - [ 0.0011568500000000, 0.0000000000000000, -0.0006354700000000 ] - [ 0.0000050100000000, 0.0000000000000000, -0.0000876600000000 ] - [ 0.0001325700000000, 0.0000000000000000, -0.0001052200000000 ] - [ 0.0001708000000000, 0.0000000000000000, -0.0000659400000000 ] - [ 0.0000933500000000, 0.0000000000000000, -0.0001315900000000 ] - [ 0.0001906200000000, -0.0001228300000000, -0.0003419200000000 ] - [ -0.0019405300000000, 0.0000000000000000, -0.0017327500000000 ] - [ 0.0001906200000000, 0.0001228300000000, -0.0003419200000000 ] - [ -0.0031744000000000, -0.0005335600000000, 0.0009289100000000 ] - [ -0.0000180400000000, 0.0000000000000000, 0.0017226200000000 ] - [ -0.0036346900000000, 0.0000000000000000, -0.0001771800000000 ] - [ 0.0095149500000000, 0.0071555700000000, -0.0071368100000000 ] - [ -0.0006068600000000, 0.0000000000000000, -0.0001550700000000 ] - [ 0.0002982900000000, 0.0000000000000000, -0.0001105800000000 ] - [ 0.0096296700000000, -0.0072586100000000, -0.0070949400000000 ] - [ -0.0031219600000000, 0.0006547700000000, 0.0009167200000000 ] - [ -0.0120987400000000, 0.0000000000000000, 0.0001703000000000 ] - [ 0.0000281400000000, -0.0001044200000000, 0.0001568800000000 ] - [ -0.0000831200000000, 0.0000000000000000, -0.0000276600000000 ] - [ 0.0000281400000000, 0.0001044200000000, 0.0001568800000000 ] - [ 0.0000268300000000, 0.0000189200000000, -0.0000985900000000 ] - [ 0.0000246900000000, -0.0000109600000000, -0.0001030100000000 ] - [ -0.0000876300000000, 0.0000000000000000, -0.0000834600000000 ] - [ -0.0000689000000000, 0.0000000000000000, -0.0000860000000000 ] - [ 0.0000821500000000, 0.0000000000000000, -0.0000134100000000 ] - [ -0.0000869000000000, -0.0002407800000000, 0.0001587500000000 ] - [ -0.0001699400000000, 0.0000000000000000, 0.0017439200000000 ] - [ -0.0000869000000000, 0.0002407800000000, 0.0001587500000000 ] - [ 0.0095149500000000, -0.0071555700000000, -0.0071368100000000 ] - [ -0.0017948000000000, 0.0000000000000000, -0.0017813100000000 ] - [ -0.0121770400000000, 0.0000000000000000, 0.0001078800000000 ] - [ -0.0031744000000000, 0.0005335600000000, 0.0009289100000000 ] - [ 0.0005092000000000, 0.0000000000000000, -0.0001754800000000 ] - [ -0.0008391100000000, 0.0000000000000000, -0.0000866600000000 ] - [ -0.0031219600000000, -0.0006547700000000, 0.0009167200000000 ] - [ 0.0096296700000000, 0.0072586100000000, -0.0070949400000000 ] - [ -0.0035818200000000, 0.0000000000000000, -0.0001353300000000 ] - [ 0.0003131200000000, 0.0000170900000000, -0.0003515000000000 ] - [ 0.0000013000000000, 0.0000000000000000, -0.0001097900000000 ] - [ 0.0003131200000000, -0.0000170900000000, -0.0003515000000000 ] - [ 0.0000246900000000, 0.0000109600000000, -0.0001030100000000 ] - [ 0.0000268300000000, -0.0000189200000000, -0.0000985900000000 ] - [ 0.0001617000000000, 0.0000000000000000, -0.0000592700000000 ] - [ 0.0000663900000000, 0.0001145000000000, 0.0001223400000000 ] - [ 0.0000216100000000, 0.0000000000000000, 0.0007347300000000 ] - [ -0.0000994500000000, -0.0001619000000000, -0.0000423500000000 ] - [ -0.0001258800000000, 0.0000000000000000, 0.0000938700000000 ] - [ -0.0002585100000000, 0.0000000000000000, -0.0001897600000000 ] - [ 0.0006928400000000, 0.0007686900000000, 0.0022302800000000 ] - [ -0.0000006900000000, 0.0000000000000000, -0.0000260700000000 ] - [ -0.0004113300000000, 0.0000216400000000, 0.0000342000000000 ] - [ -0.0021889000000000, 0.0000000000000000, 0.0024028400000000 ] - [ 0.0006928400000000, -0.0007686900000000, 0.0022302800000000 ] - [ 0.0015236500000000, 0.0000000000000000, -0.0003798500000000 ] - [ -0.0004113300000000, -0.0000216400000000, 0.0000342000000000 ] - [ -0.0163580900000000, 0.0000000000000000, -0.0021555400000000 ] - [ -0.0124246200000000, 0.0032951400000000, 0.0012708700000000 ] - [ -0.0029611800000000, 0.0000000000000000, -0.0000883100000000 ] - [ -0.0123409400000000, -0.0030565500000000, 0.0012601500000000 ] - [ 0.0011036000000000, 0.0000000000000000, 0.0001395000000000 ] - [ 0.0031775700000000, 0.0012396600000000, 0.0004061500000000 ] - [ 0.0027730000000000, 0.0000000000000000, -0.0007265600000000 ] - [ 0.0031861800000000, -0.0012831000000000, 0.0004874900000000 ] - [ -0.0020705800000000, 0.0000000000000000, -0.0016570200000000 ] - [ 0.0002363300000000, -0.0000117800000000, -0.0001253700000000 ] - [ 0.0035688400000000, 0.0000000000000000, -0.0025628200000000 ] - [ 0.0005281800000000, -0.0001168000000000, -0.0010624100000000 ] - [ 0.0001772400000000, 0.0000000000000000, -0.0000367600000000 ] - [ -0.0003777500000000, 0.0000097700000000, 0.0000167600000000 ] - [ -0.0001666400000000, 0.0000000000000000, -0.0001115300000000 ] - [ 0.0005281800000000, 0.0001168000000000, -0.0010624100000000 ] - [ 0.0001308900000000, 0.0000000000000000, -0.0000430600000000 ] - [ 0.0000338900000000, 0.0000142500000000, 0.0000192600000000 ] - [ -0.0000205300000000, 0.0000000000000000, -0.0004765900000000 ] - [ 0.0002074500000000, 0.0000820100000000, 0.0001015500000000 ] - [ 0.0000018200000000, 0.0000000000000000, 0.0001804900000000 ] - [ 0.0000338900000000, -0.0000142500000000, 0.0000192600000000 ] - [ 0.0001319800000000, 0.0000000000000000, -0.0000042600000000 ] - [ 0.0000360700000000, -0.0000315000000000, -0.0000594700000000 ] - [ -0.0000318900000000, 0.0000000000000000, 0.0001439400000000 ] - [ 0.0000369900000000, 0.0000000000000000, 0.0000520500000000 ] - [ 0.0000632100000000, 0.0000277000000000, 0.0000468000000000 ] - [ 0.0000632100000000, -0.0000277000000000, 0.0000468000000000 ] - [ -0.0000994500000000, 0.0001619000000000, -0.0000423500000000 ] - [ -0.0001437400000000, 0.0000000000000000, -0.0003437300000000 ] - [ 0.0000663900000000, -0.0001145000000000, 0.0001223400000000 ] - [ 0.0000591200000000, 0.0000000000000000, -0.0000635900000000 ] - [ 0.0000696000000000, 0.0000000000000000, 0.0004301500000000 ] - [ 0.0004144700000000, 0.0001093000000000, -0.0011139800000000 ] - [ 0.0001207000000000, 0.0000000000000000, -0.0001296300000000 ] - [ 0.0002073500000000, 0.0000262200000000, -0.0001008300000000 ] - [ 0.0035066200000000, 0.0000000000000000, -0.0024407400000000 ] - [ 0.0004144700000000, -0.0001093000000000, -0.0011139800000000 ] - [ -0.0020099300000000, 0.0000000000000000, -0.0016576800000000 ] - [ 0.0002073500000000, -0.0000262200000000, -0.0001008300000000 ] - [ 0.0027317700000000, 0.0000000000000000, -0.0007864100000000 ] - [ 0.0031775700000000, -0.0012396600000000, 0.0004061500000000 ] - [ 0.0010122600000000, 0.0000000000000000, 0.0000737900000000 ] - [ 0.0031861800000000, 0.0012831000000000, 0.0004874900000000 ] - [ -0.0028748800000000, 0.0000000000000000, -0.0000264700000000 ] - [ -0.0124246200000000, -0.0032951400000000, 0.0012708700000000 ] - [ -0.0181303800000000, 0.0000000000000000, -0.0033753400000000 ] - [ -0.0123409400000000, 0.0030565500000000, 0.0012601500000000 ] - [ 0.0014835000000000, 0.0000000000000000, -0.0003611100000000 ] - [ -0.0003777500000000, -0.0000097700000000, 0.0000167600000000 ] - [ -0.0021296600000000, 0.0000000000000000, 0.0022190200000000 ] - [ 0.0007894600000000, -0.0007855600000000, 0.0022886100000000 ] - [ 0.0000592400000000, 0.0000000000000000, 0.0000782100000000 ] - [ 0.0002363300000000, 0.0000117800000000, -0.0001253700000000 ] - [ 0.0001478800000000, 0.0000000000000000, 0.0005091700000000 ] - [ 0.0007894600000000, 0.0007855600000000, 0.0022886100000000 ] - [ -0.0000579900000000, 0.0000000000000000, 0.0001092300000000 ] - [ 0.0000119900000000, 0.0000123300000000, 0.0000518900000000 ] - [ 0.0001543600000000, 0.0000000000000000, 0.0006128100000000 ] - [ 0.0000360700000000, 0.0000315000000000, -0.0000594700000000 ] - [ -0.0000378400000000, 0.0000000000000000, 0.0001628200000000 ] - [ 0.0000119900000000, -0.0000123300000000, 0.0000518900000000 ] - [ 0.0001784500000000, 0.0000000000000000, 0.0000008400000000 ] - [ 0.0002074500000000, -0.0000820100000000, 0.0001015500000000 ] - [ 0.0000073800000000, 0.0000000000000000, 0.0001595700000000 ] - [ -0.0000003500000000, 0.0000000000000000, 0.0000312800000000 ] - [ 0.0000410500000000, 0.0000243600000000, 0.0000820800000000 ] - [ 0.0000410500000000, -0.0000243600000000, 0.0000820800000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000315900000000, -0.0000016800000000, -0.0000758200000000 ] - [ -0.0000735500000000, -0.0000314700000000, -0.0000177100000000 ] - [ -0.0000521500000000, -0.0002066200000000, -0.0000060700000000 ] - [ -0.0000982500000000, -0.0000895000000000, 0.0000446700000000 ] - [ -0.0000151900000000, -0.0066517200000000, -0.0000009100000000 ] - [ 0.0000347500000000, -0.0788326900000000, 0.0000057700000000 ] - [ 0.0000227700000000, -0.0000331700000000, 0.0000189200000000 ] - [ 0.0000015500000000, -0.0003804400000000, -0.0000297800000000 ] - [ -0.0000216300000000, -0.0000021200000000, -0.0000368500000000 ] - [ 0.0001220900000000, -0.0000041500000000, -0.0000211300000000 ] - [ 0.0000316300000000, -0.0000029600000000, -0.0000757900000000 ] - [ -0.0000740800000000, -0.0000332800000000, -0.0000172100000000 ] - [ -0.0000515600000000, -0.0066626500000000, -0.0000243200000000 ] - [ -0.0000988100000000, -0.0003773900000000, 0.0000435000000000 ] - [ -0.0000145200000000, -0.0002088000000000, -0.0000192400000000 ] - [ 0.0000348600000000, -0.0001722900000000, -0.0000035100000000 ] - [ 0.0000222600000000, -0.0000321900000000, 0.0000191300000000 ] - [ 0.0000015100000000, -0.0000920500000000, -0.0000311800000000 ] - [ -0.0000216800000000, -0.0000032400000000, -0.0000367700000000 ] - [ 0.0001223300000000, -0.0000047300000000, -0.0000211500000000 ] - [ 0.0000627900000000, 0.0000069300000000, -0.0000155500000000 ] - [ 0.0000792400000000, -0.0000066200000000, 0.0000012300000000 ] - [ 0.0000473200000000, -0.0001520600000000, 0.0000100800000000 ] - [ -0.0001548400000000, 0.0001301700000000, 0.0000584300000000 ] - [ -0.0000182200000000, 0.0001542200000000, -0.0000361800000000 ] - [ 0.0007322700000000, 0.0000967400000000, 0.0001509200000000 ] - [ -0.0000020200000000, 0.0013365300000000, 0.0000227600000000 ] - [ 0.0000115000000000, 0.0181656500000000, -0.0000190900000000 ] - [ -0.0073403900000000, 0.0024696200000000, -0.0114828500000000 ] - [ 0.0000539900000000, 0.0000906200000000, -0.0000601300000000 ] - [ -0.0001734000000000, 0.0001743200000000, 0.0000050400000000 ] - [ 0.0073027000000000, 0.0025035100000000, 0.0114292900000000 ] - [ -0.0007433500000000, 0.0000491300000000, -0.0001756400000000 ] - [ -0.0000748800000000, -0.0005959700000000, 0.0000327500000000 ] - [ 0.0001665600000000, -0.0000145200000000, 0.0000220000000000 ] - [ -0.0000369300000000, 0.0000012900000000, -0.0000053600000000 ] - [ 0.0001043400000000, 0.0000155700000000, -0.0000585400000000 ] - [ 0.0000243900000000, 0.0000097700000000, -0.0000402400000000 ] - [ 0.0000220100000000, -0.0000103300000000, -0.0000427800000000 ] - [ 0.0000435100000000, 0.0000103900000000, -0.0000156300000000 ] - [ 0.0000630600000000, 0.0000081400000000, -0.0000155300000000 ] - [ 0.0000792300000000, -0.0000050500000000, 0.0000007600000000 ] - [ 0.0000451900000000, -0.0001532300000000, 0.0000261100000000 ] - [ -0.0001563200000000, 0.0013222800000000, 0.0000568300000000 ] - [ -0.0000161600000000, 0.0001525100000000, -0.0000526700000000 ] - [ 0.0072970800000000, 0.0026119200000000, 0.0115443400000000 ] - [ -0.0000027100000000, 0.0001323800000000, 0.0000219000000000 ] - [ -0.0000324500000000, -0.0005801100000000, 0.0000249000000000 ] - [ -0.0008023400000000, -0.0000841400000000, -0.0001721300000000 ] - [ 0.0000551200000000, 0.0001738400000000, -0.0000621400000000 ] - [ -0.0001723100000000, 0.0000924900000000, 0.0000033200000000 ] - [ 0.0007894600000000, -0.0000341800000000, 0.0001529800000000 ] - [ -0.0072808200000000, 0.0025456800000000, -0.0115343300000000 ] - [ -0.0001191700000000, 0.0181893200000000, 0.0000768200000000 ] - [ 0.0001684800000000, -0.0000130000000000, 0.0000053500000000 ] - [ -0.0000370200000000, 0.0000025200000000, -0.0000052200000000 ] - [ 0.0001030400000000, 0.0000165300000000, -0.0000429000000000 ] - [ 0.0000243300000000, 0.0000097500000000, -0.0000403800000000 ] - [ 0.0000218400000000, -0.0000103100000000, -0.0000429300000000 ] - [ 0.0000429500000000, 0.0000084000000000, -0.0000156100000000 ] - [ -0.0000287100000000, 0.0001294900000000, 0.0000096900000000 ] - [ -0.0001051000000000, -0.0000219100000000, 0.0001377000000000 ] - [ -0.0000231500000000, -0.0001291000000000, -0.0000080100000000 ] - [ -0.0000343300000000, -0.0000118200000000, -0.0000063500000000 ] - [ -0.0000721100000000, 0.0000450900000000, -0.0000374500000000 ] - [ 0.0000098500000000, 0.0000506700000000, 0.0003397300000000 ] - [ 0.0000774600000000, 0.0000195100000000, -0.0001169200000000 ] - [ -0.0000013100000000, 0.0000226600000000, 0.0000906900000000 ] - [ -0.0001609800000000, -0.0038022700000000, 0.0000660800000000 ] - [ -0.0001396800000000, 0.0000642200000000, -0.0002532700000000 ] - [ -0.0000465500000000, 0.0000850700000000, 0.0000099300000000 ] - [ -0.0001068200000000, 0.0000301700000000, -0.0001168300000000 ] - [ -0.0000826400000000, 0.0079661100000000, -0.0000699700000000 ] - [ -0.0030549400000000, 0.0088096500000000, 0.0020024600000000 ] - [ -0.0000242500000000, 0.0023936300000000, -0.0000497700000000 ] - [ 0.0027324900000000, 0.0084722100000000, -0.0016420700000000 ] - [ 0.0000645100000000, -0.0000700600000000, 0.0000146400000000 ] - [ 0.0000857700000000, 0.0001814300000000, -0.0000694000000000 ] - [ -0.0000146200000000, -0.0012841400000000, 0.0000291800000000 ] - [ -0.0000865700000000, 0.0000093600000000, 0.0000157400000000 ] - [ -0.0000918000000000, -0.0023060700000000, 0.0000186300000000 ] - [ 0.0000200000000000, 0.0000185500000000, -0.0001250200000000 ] - [ -0.0000804800000000, 0.0012101800000000, -0.0000840400000000 ] - [ 0.0009735700000000, 0.0000512500000000, -0.0009770600000000 ] - [ 0.0001315400000000, 0.0000088800000000, -0.0000301100000000 ] - [ 0.0000236500000000, 0.0000084400000000, 0.0000652700000000 ] - [ 0.0000133600000000, 0.0000449100000000, 0.0000401600000000 ] - [ -0.0008978400000000, 0.0000392000000000, 0.0011810300000000 ] - [ 0.0000378900000000, -0.0000083700000000, 0.0000093000000000 ] - [ 0.0000198700000000, 0.0000205700000000, -0.0000020000000000 ] - [ 0.0000241700000000, -0.0000443200000000, 0.0000148100000000 ] - [ 0.0001168700000000, 0.0000628900000000, -0.0000290400000000 ] - [ -0.0000157600000000, -0.0000009300000000, 0.0001247200000000 ] - [ 0.0000197500000000, -0.0000211800000000, -0.0000006500000000 ] - [ 0.0001612000000000, 0.0000002800000000, -0.0000397600000000 ] - [ 0.0001106900000000, -0.0000652100000000, -0.0000131900000000 ] - [ -0.0000082000000000, -0.0000002600000000, 0.0001123800000000 ] - [ 0.0000152100000000, -0.0000009900000000, -0.0000131700000000 ] - [ 0.0000468900000000, 0.0000266000000000, 0.0000327600000000 ] - [ 0.0000468800000000, -0.0000276400000000, 0.0000293900000000 ] - [ -0.0000270500000000, 0.0001292700000000, 0.0000090700000000 ] - [ -0.0001043300000000, -0.0000441600000000, 0.0001380900000000 ] - [ -0.0000220100000000, -0.0001282300000000, -0.0000083700000000 ] - [ -0.0000342100000000, -0.0000071900000000, -0.0000060300000000 ] - [ -0.0000727600000000, 0.0000283200000000, -0.0000373000000000 ] - [ -0.0009897700000000, 0.0000297100000000, 0.0011199100000000 ] - [ 0.0000777300000000, 0.0000104000000000, -0.0001167200000000 ] - [ -0.0001041500000000, -0.0000019200000000, 0.0000776200000000 ] - [ -0.0001503100000000, 0.0012052500000000, 0.0000829600000000 ] - [ 0.0008624800000000, 0.0000471800000000, -0.0010312700000000 ] - [ -0.0000408300000000, -0.0022975200000000, 0.0000082700000000 ] - [ -0.0000039200000000, 0.0000047700000000, -0.0001028900000000 ] - [ -0.0000303200000000, -0.0012704500000000, -0.0000333700000000 ] - [ -0.0001102400000000, 0.0000696700000000, -0.0000707700000000 ] - [ -0.0000212800000000, -0.0000701700000000, -0.0000464900000000 ] - [ 0.0001063000000000, 0.0002380900000000, 0.0000197200000000 ] - [ 0.0000672700000000, 0.0023811100000000, 0.0000189000000000 ] - [ 0.0033921800000000, 0.0095287400000000, -0.0026678300000000 ] - [ 0.0000409400000000, 0.0079198700000000, 0.0000664200000000 ] - [ -0.0030600200000000, 0.0088373400000000, 0.0021847700000000 ] - [ -0.0000857200000000, 0.0000865000000000, 0.0000177300000000 ] - [ -0.0000798200000000, 0.0000420600000000, -0.0001364400000000 ] - [ -0.0000691200000000, -0.0038204700000000, -0.0000671300000000 ] - [ -0.0000342600000000, 0.0000657400000000, -0.0001934700000000 ] - [ 0.0001316700000000, 0.0000161700000000, -0.0000297600000000 ] - [ -0.0000770700000000, -0.0000155800000000, 0.0000526800000000 ] - [ 0.0000139000000000, 0.0000280000000000, 0.0000401400000000 ] - [ 0.0001134900000000, 0.0000510700000000, 0.0003998500000000 ] - [ 0.0000382200000000, -0.0000135100000000, 0.0000091600000000 ] - [ 0.0000195500000000, 0.0000209600000000, -0.0000023800000000 ] - [ 0.0000254400000000, -0.0000214700000000, 0.0000153900000000 ] - [ 0.0001150800000000, 0.0000632600000000, -0.0000280600000000 ] - [ -0.0000155200000000, -0.0000005300000000, 0.0001247500000000 ] - [ 0.0000201400000000, -0.0000211100000000, -0.0000000400000000 ] - [ 0.0001612700000000, 0.0000002800000000, -0.0000399400000000 ] - [ 0.0001102600000000, -0.0000645000000000, -0.0000130800000000 ] - [ -0.0000084700000000, 0.0000003000000000, 0.0001125200000000 ] - [ 0.0000148600000000, -0.0000006900000000, -0.0000133500000000 ] - [ 0.0000469900000000, 0.0000267100000000, 0.0000333100000000 ] - [ 0.0000466300000000, -0.0000275600000000, 0.0000286800000000 ]- atom: 6 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0000016700000000, 0.0000000000000000, 0.0010219400000000 ] - [ -0.0000937600000000, 0.0000000000000000, 0.0008470600000000 ] - [ 0.0007983500000000, 0.0000000000000000, -0.0008708200000000 ] - [ 0.0003358500000000, 0.0000000000000000, 0.0014164400000000 ] - [ -0.0083874300000000, 0.0000000000000000, 0.0067871800000000 ] - [ -0.0182050600000000, 0.0000000000000000, -0.1244708100000000 ] - [ -0.0001325600000000, 0.0000000000000000, 0.0011608800000000 ] - [ -0.0004309900000000, 0.0000000000000000, 0.0007393800000000 ] - [ -0.0000064200000000, 0.0000000000000000, 0.0009571400000000 ] - [ 0.0001188400000000, 0.0000000000000000, 0.0011349900000000 ] - [ -0.0000081800000000, 0.0000000000000000, 0.0009594500000000 ] - [ -0.0003505900000000, 0.0000000000000000, 0.0011398100000000 ] - [ -0.0085772100000000, 0.0000000000000000, 0.0068772300000000 ] - [ -0.0005348900000000, 0.0000000000000000, 0.0007972100000000 ] - [ 0.0008362500000000, 0.0000000000000000, -0.0008772000000000 ] - [ -0.0003583900000000, 0.0000000000000000, -0.0053779900000000 ] - [ 0.0001114900000000, 0.0000000000000000, 0.0008796100000000 ] - [ 0.0004314300000000, 0.0000000000000000, 0.0013617500000000 ] - [ -0.0000012400000000, 0.0000000000000000, 0.0009805900000000 ] - [ 0.0001997200000000, 0.0000000000000000, 0.0011296000000000 ] - [ -0.0000242600000000, 0.0000000000000000, 0.0016470000000000 ] - [ 0.0002021100000000, 0.0000000000000000, 0.0017614100000000 ] - [ 0.0004362700000000, -0.0000555700000000, 0.0016351000000000 ] - [ 0.0015240900000000, 0.0000000000000000, 0.0018909100000000 ] - [ 0.0004362700000000, 0.0000555700000000, 0.0016351000000000 ] - [ -0.0005844700000000, 0.0010199300000000, -0.0011461900000000 ] - [ -0.0014810500000000, 0.0000000000000000, 0.0024480100000000 ] - [ -0.0046869700000000, 0.0000000000000000, -0.0136652000000000 ] - [ 0.0060680400000000, -0.0115840900000000, 0.0130908000000000 ] - [ 0.0002052600000000, 0.0000000000000000, 0.0007994400000000 ] - [ -0.0003944900000000, 0.0000000000000000, 0.0032294400000000 ] - [ 0.0060098000000000, 0.0112363700000000, 0.0129274400000000 ] - [ -0.0005236700000000, -0.0008897100000000, -0.0011289000000000 ] - [ 0.0068213600000000, 0.0000000000000000, -0.0087703500000000 ] - [ -0.0000616000000000, 0.0000023600000000, 0.0015025000000000 ] - [ -0.0000957200000000, 0.0000000000000000, 0.0016299600000000 ] - [ -0.0000616000000000, -0.0000023600000000, 0.0015025000000000 ] - [ 0.0000692400000000, -0.0000599300000000, 0.0015341500000000 ] - [ 0.0000627800000000, 0.0000611200000000, 0.0015350300000000 ] - [ 0.0000375600000000, 0.0000000000000000, 0.0015792200000000 ] - [ 0.0000495500000000, 0.0000000000000000, 0.0015299300000000 ] - [ 0.0000946000000000, 0.0000000000000000, 0.0017596600000000 ] - [ -0.0000922400000000, -0.0000021000000000, 0.0015202800000000 ] - [ -0.0016427500000000, 0.0000000000000000, 0.0025043100000000 ] - [ -0.0000922400000000, 0.0000021000000000, 0.0015202800000000 ] - [ 0.0060680400000000, 0.0115840900000000, 0.0130908000000000 ] - [ 0.0016809600000000, 0.0000000000000000, 0.0018414600000000 ] - [ 0.0068365400000000, 0.0000000000000000, -0.0087131800000000 ] - [ -0.0005844700000000, -0.0010199300000000, -0.0011461900000000 ] - [ -0.0001686700000000, 0.0000000000000000, 0.0031254600000000 ] - [ -0.0000108100000000, 0.0000000000000000, 0.0008774800000000 ] - [ -0.0005236700000000, 0.0008897100000000, -0.0011289000000000 ] - [ 0.0060098000000000, -0.0112363700000000, 0.0129274400000000 ] - [ -0.0046824600000000, 0.0000000000000000, -0.0137738900000000 ] - [ 0.0004687600000000, -0.0000649900000000, 0.0016170400000000 ] - [ -0.0000791400000000, 0.0000000000000000, 0.0017217000000000 ] - [ 0.0004687600000000, 0.0000649900000000, 0.0016170400000000 ] - [ 0.0000627800000000, -0.0000611200000000, 0.0015350300000000 ] - [ 0.0000692400000000, 0.0000599300000000, 0.0015341500000000 ] - [ -0.0000381500000000, 0.0000000000000000, 0.0017139100000000 ] - [ -0.0001766400000000, 0.0001643800000000, -0.0010079600000000 ] - [ -0.0002965100000000, 0.0000000000000000, -0.0010663900000000 ] - [ -0.0000729400000000, -0.0001518300000000, -0.0010759200000000 ] - [ 0.0000191800000000, 0.0000000000000000, -0.0011686500000000 ] - [ 0.0005745500000000, 0.0000000000000000, -0.0012495900000000 ] - [ -0.0014128400000000, -0.0007288200000000, -0.0011530500000000 ] - [ 0.0000328200000000, 0.0000000000000000, -0.0013380100000000 ] - [ -0.0003792200000000, -0.0002356600000000, -0.0013736300000000 ] - [ -0.0021494500000000, 0.0000000000000000, 0.0069747500000000 ] - [ -0.0014128400000000, 0.0007288200000000, -0.0011530500000000 ] - [ -0.0005012000000000, 0.0000000000000000, 0.0003623100000000 ] - [ -0.0003792200000000, 0.0002356600000000, -0.0013736300000000 ] - [ 0.0068711800000000, 0.0000000000000000, 0.0141700200000000 ] - [ -0.0009767400000000, 0.0031252500000000, 0.0141893700000000 ] - [ 0.0003805600000000, 0.0000000000000000, -0.0039520100000000 ] - [ -0.0009354800000000, -0.0029788300000000, 0.0142620900000000 ] - [ -0.0000125500000000, 0.0000000000000000, -0.0000135600000000 ] - [ -0.0016355000000000, -0.0008097400000000, 0.0020196700000000 ] - [ 0.0029265700000000, 0.0000000000000000, 0.0020545500000000 ] - [ -0.0016092400000000, 0.0007508200000000, 0.0021112200000000 ] - [ -0.0002787000000000, 0.0000000000000000, -0.0017355100000000 ] - [ 0.0000122000000000, 0.0000533600000000, -0.0006988000000000 ] - [ 0.0008755900000000, 0.0000000000000000, 0.0047064100000000 ] - [ 0.0014967800000000, 0.0001563700000000, -0.0004477400000000 ] - [ 0.0002493000000000, 0.0000000000000000, -0.0013471300000000 ] - [ -0.0003661200000000, -0.0002665100000000, -0.0013923500000000 ] - [ 0.0006688500000000, 0.0000000000000000, -0.0011702400000000 ] - [ 0.0014967800000000, -0.0001563700000000, -0.0004477400000000 ] - [ 0.0002579000000000, 0.0000000000000000, -0.0009249600000000 ] - [ -0.0000851500000000, 0.0001139200000000, -0.0009474600000000 ] - [ 0.0002924600000000, 0.0000000000000000, -0.0012731800000000 ] - [ -0.0000598100000000, -0.0000413300000000, -0.0009455700000000 ] - [ 0.0000247100000000, 0.0000000000000000, -0.0011617600000000 ] - [ -0.0000851500000000, -0.0001139200000000, -0.0009474600000000 ] - [ 0.0003451200000000, 0.0000000000000000, -0.0010523300000000 ] - [ 0.0000439800000000, 0.0000314000000000, -0.0010107800000000 ] - [ 0.0000375200000000, 0.0000000000000000, -0.0009463300000000 ] - [ 0.0000760800000000, 0.0000000000000000, -0.0013522100000000 ] - [ -0.0000256400000000, 0.0000199000000000, -0.0009678100000000 ] - [ -0.0000256400000000, -0.0000199000000000, -0.0009678100000000 ] - [ -0.0000729400000000, 0.0001518300000000, -0.0010759200000000 ] - [ 0.0001590100000000, 0.0000000000000000, -0.0011714000000000 ] - [ -0.0001766400000000, -0.0001643800000000, -0.0010079600000000 ] - [ 0.0001244400000000, 0.0000000000000000, -0.0010402900000000 ] - [ -0.0003001900000000, 0.0000000000000000, -0.0009537600000000 ] - [ 0.0014000200000000, -0.0001648200000000, -0.0005006100000000 ] - [ 0.0001688000000000, 0.0000000000000000, -0.0011756800000000 ] - [ -0.0000019200000000, -0.0000194400000000, -0.0006698000000000 ] - [ 0.0008141700000000, 0.0000000000000000, 0.0048877000000000 ] - [ 0.0014000200000000, 0.0001648200000000, -0.0005006100000000 ] - [ -0.0002309300000000, 0.0000000000000000, -0.0017551100000000 ] - [ -0.0000019200000000, 0.0000194400000000, -0.0006698000000000 ] - [ 0.0028939000000000, 0.0000000000000000, 0.0020076000000000 ] - [ -0.0016355000000000, 0.0008097400000000, 0.0020196700000000 ] - [ -0.0000998600000000, 0.0000000000000000, -0.0000523200000000 ] - [ -0.0016092400000000, -0.0007508200000000, 0.0021112200000000 ] - [ 0.0004644500000000, 0.0000000000000000, -0.0038949700000000 ] - [ -0.0009767400000000, -0.0031252500000000, 0.0141893700000000 ] - [ 0.0067281800000000, 0.0000000000000000, 0.0140677000000000 ] - [ -0.0009354800000000, 0.0029788300000000, 0.0142620900000000 ] - [ -0.0005300700000000, 0.0000000000000000, 0.0003647400000000 ] - [ -0.0003661200000000, 0.0002665100000000, -0.0013923500000000 ] - [ -0.0020692900000000, 0.0000000000000000, 0.0067721500000000 ] - [ -0.0013042700000000, 0.0007235300000000, -0.0010873000000000 ] - [ 0.0001289300000000, 0.0000000000000000, -0.0015203300000000 ] - [ 0.0000122000000000, -0.0000533600000000, -0.0006988000000000 ] - [ -0.0001873900000000, 0.0000000000000000, -0.0008825100000000 ] - [ -0.0013042700000000, -0.0007235300000000, -0.0010873000000000 ] - [ 0.0001626300000000, 0.0000000000000000, -0.0010408100000000 ] - [ -0.0001200700000000, 0.0001240700000000, -0.0009782400000000 ] - [ -0.0001646900000000, 0.0000000000000000, -0.0011653600000000 ] - [ 0.0000439800000000, -0.0000314000000000, -0.0010107800000000 ] - [ 0.0000282200000000, 0.0000000000000000, -0.0011954300000000 ] - [ -0.0001200700000000, -0.0001240700000000, -0.0009782400000000 ] - [ 0.0003272300000000, 0.0000000000000000, -0.0010234100000000 ] - [ -0.0000598100000000, 0.0000413300000000, -0.0009455700000000 ] - [ 0.0000292200000000, 0.0000000000000000, -0.0009206000000000 ] - [ 0.0000840600000000, 0.0000000000000000, -0.0013895600000000 ] - [ -0.0000539400000000, 0.0000160300000000, -0.0009948800000000 ] - [ -0.0000539400000000, -0.0000160300000000, -0.0009948800000000 ]- atom: 6 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0000631100000000, 0.0000000000000000, -0.0011759600000000 ] - [ -0.0000601900000000, 0.0000000000000000, -0.0008799600000000 ] - [ -0.0009107600000000, 0.0000000000000000, 0.0008516000000000 ] - [ -0.0005336800000000, 0.0000000000000000, -0.0013277300000000 ] - [ 0.0084710800000000, 0.0000000000000000, -0.0068679300000000 ] - [ 0.0183076800000000, 0.0000000000000000, 0.1243290300000000 ] - [ 0.0001774300000000, 0.0000000000000000, -0.0011220700000000 ] - [ 0.0004351700000000, 0.0000000000000000, -0.0007953800000000 ] - [ -0.0000414900000000, 0.0000000000000000, -0.0010324100000000 ] - [ 0.0001254600000000, 0.0000000000000000, -0.0011771600000000 ] - [ 0.0000729800000000, 0.0000000000000000, -0.0011140500000000 ] - [ 0.0001947800000000, 0.0000000000000000, -0.0011719000000000 ] - [ 0.0083616500000000, 0.0000000000000000, -0.0068423100000000 ] - [ 0.0003352500000000, 0.0000000000000000, -0.0007108600000000 ] - [ -0.0008555200000000, 0.0000000000000000, 0.0008508900000000 ] - [ 0.0004282600000000, 0.0000000000000000, 0.0053713300000000 ] - [ -0.0000686700000000, 0.0000000000000000, -0.0008394800000000 ] - [ -0.0004296400000000, 0.0000000000000000, -0.0014200700000000 ] - [ -0.0000465100000000, 0.0000000000000000, -0.0010554600000000 ] - [ 0.0000441500000000, 0.0000000000000000, -0.0011719700000000 ] - [ 0.0001410200000000, 0.0000000000000000, -0.0016792600000000 ] - [ -0.0000375900000000, 0.0000000000000000, -0.0017713200000000 ] - [ -0.0003971500000000, -0.0002425300000000, -0.0016588600000000 ] - [ -0.0018341000000000, 0.0000000000000000, -0.0017711300000000 ] - [ -0.0003971500000000, 0.0002425300000000, -0.0016588600000000 ] - [ 0.0005158000000000, -0.0008412000000000, 0.0011227300000000 ] - [ 0.0014850000000000, 0.0000000000000000, -0.0023921400000000 ] - [ 0.0045694400000000, 0.0000000000000000, 0.0137040400000000 ] - [ -0.0060677000000000, 0.0112420100000000, -0.0129709500000000 ] - [ -0.0001038400000000, 0.0000000000000000, -0.0009212900000000 ] - [ 0.0000559500000000, 0.0000000000000000, -0.0032032500000000 ] - [ -0.0060350800000000, -0.0114806200000000, -0.0130874500000000 ] - [ 0.0005665300000000, 0.0009713200000000, 0.0011121100000000 ] - [ -0.0069544300000000, 0.0000000000000000, 0.0088331200000000 ] - [ 0.0003337800000000, -0.0000315600000000, -0.0015380800000000 ] - [ 0.0000129200000000, 0.0000000000000000, -0.0016426300000000 ] - [ 0.0003337800000000, 0.0000315600000000, -0.0015380800000000 ] - [ -0.0000192300000000, 0.0000863900000000, -0.0016179900000000 ] - [ -0.0000123500000000, -0.0000875600000000, -0.0016189700000000 ] - [ 0.0000584300000000, 0.0000000000000000, -0.0015990000000000 ] - [ 0.0000675400000000, 0.0000000000000000, -0.0015629900000000 ] - [ 0.0000690300000000, 0.0000000000000000, -0.0017694100000000 ] - [ 0.0001283000000000, -0.0002951300000000, -0.0015448000000000 ] - [ 0.0013271600000000, 0.0000000000000000, -0.0023892700000000 ] - [ 0.0001283000000000, 0.0002951300000000, -0.0015448000000000 ] - [ -0.0060677000000000, -0.0112420100000000, -0.0129709500000000 ] - [ -0.0016827000000000, 0.0000000000000000, -0.0017902300000000 ] - [ -0.0069191800000000, 0.0000000000000000, 0.0087657200000000 ] - [ 0.0005158000000000, 0.0008412000000000, 0.0011227300000000 ] - [ 0.0002723200000000, 0.0000000000000000, -0.0032650100000000 ] - [ -0.0003254800000000, 0.0000000000000000, -0.0008688300000000 ] - [ 0.0005665300000000, -0.0009713200000000, 0.0011121100000000 ] - [ -0.0060350800000000, 0.0114806200000000, -0.0130874500000000 ] - [ 0.0045844100000000, 0.0000000000000000, 0.0138500700000000 ] - [ -0.0001990200000000, 0.0000373400000000, -0.0016527100000000 ] - [ -0.0000040500000000, 0.0000000000000000, -0.0017348900000000 ] - [ -0.0001990200000000, -0.0000373400000000, -0.0016527100000000 ] - [ -0.0000123500000000, 0.0000875600000000, -0.0016189700000000 ] - [ -0.0000192300000000, -0.0000863900000000, -0.0016179900000000 ] - [ 0.0001344700000000, 0.0000000000000000, -0.0017345900000000 ] - [ 0.0001250300000000, 0.0001064500000000, 0.0009988600000000 ] - [ 0.0000948600000000, 0.0000000000000000, 0.0013556100000000 ] - [ 0.0000220400000000, -0.0001190500000000, 0.0010663100000000 ] - [ -0.0000762700000000, 0.0000000000000000, 0.0011476600000000 ] - [ -0.0007214300000000, 0.0000000000000000, 0.0011719900000000 ] - [ 0.0012812100000000, 0.0007086900000000, 0.0012454000000000 ] - [ 0.0001134200000000, 0.0000000000000000, 0.0010990100000000 ] - [ 0.0002633700000000, 0.0002321500000000, 0.0013480300000000 ] - [ 0.0018459700000000, 0.0000000000000000, -0.0068109100000000 ] - [ 0.0012812100000000, -0.0007086900000000, 0.0012454000000000 ] - [ 0.0004065700000000, 0.0000000000000000, -0.0003374300000000 ] - [ 0.0002633700000000, -0.0002321500000000, 0.0013480300000000 ] - [ -0.0061101200000000, 0.0000000000000000, -0.0136644000000000 ] - [ 0.0011854600000000, -0.0036109800000000, -0.0146234200000000 ] - [ -0.0004263100000000, 0.0000000000000000, 0.0038347700000000 ] - [ 0.0007323000000000, 0.0028494800000000, -0.0139281000000000 ] - [ 0.0001401400000000, 0.0000000000000000, 0.0000358700000000 ] - [ 0.0016178800000000, 0.0009341400000000, -0.0021546500000000 ] - [ -0.0029588200000000, 0.0000000000000000, -0.0020017300000000 ] - [ 0.0016252800000000, -0.0009729500000000, -0.0020755100000000 ] - [ 0.0001033100000000, 0.0000000000000000, 0.0017661800000000 ] - [ -0.0000655600000000, -0.0000293500000000, 0.0006302300000000 ] - [ -0.0010319800000000, 0.0000000000000000, -0.0048622300000000 ] - [ -0.0014244800000000, -0.0001557000000000, 0.0006473700000000 ] - [ 0.0000103600000000, 0.0000000000000000, 0.0012845200000000 ] - [ 0.0003145600000000, 0.0002449800000000, 0.0013275800000000 ] - [ -0.0006532800000000, 0.0000000000000000, 0.0012543900000000 ] - [ -0.0014244800000000, 0.0001557000000000, 0.0006473700000000 ] - [ -0.0001710300000000, 0.0000000000000000, 0.0009459300000000 ] - [ 0.0001230700000000, -0.0000816200000000, 0.0009503800000000 ] - [ -0.0002410100000000, 0.0000000000000000, 0.0013123100000000 ] - [ 0.0002807300000000, 0.0001525700000000, 0.0009030300000000 ] - [ -0.0000615700000000, 0.0000000000000000, 0.0014106100000000 ] - [ 0.0001230700000000, 0.0000816200000000, 0.0009503800000000 ] - [ -0.0000228000000000, 0.0000000000000000, 0.0009731500000000 ] - [ 0.0001760700000000, -0.0001422800000000, 0.0009685300000000 ] - [ -0.0000598300000000, 0.0000000000000000, 0.0011706100000000 ] - [ -0.0000365700000000, 0.0000000000000000, 0.0013372800000000 ] - [ 0.0001253100000000, 0.0000302800000000, 0.0010249700000000 ] - [ 0.0001253100000000, -0.0000302800000000, 0.0010249700000000 ] - [ 0.0000220400000000, 0.0001190500000000, 0.0010663100000000 ] - [ -0.0003584200000000, 0.0000000000000000, 0.0014616600000000 ] - [ 0.0001250300000000, -0.0001064500000000, 0.0009988600000000 ] - [ -0.0001812000000000, 0.0000000000000000, 0.0010201800000000 ] - [ 0.0001478800000000, 0.0000000000000000, 0.0008788200000000 ] - [ -0.0015250100000000, 0.0001451100000000, 0.0005970200000000 ] - [ -0.0000216000000000, 0.0000000000000000, 0.0009374000000000 ] - [ -0.0001123100000000, 0.0000186000000000, 0.0006478900000000 ] - [ -0.0011187900000000, 0.0000000000000000, -0.0047295300000000 ] - [ -0.0015250100000000, -0.0001451100000000, 0.0005970200000000 ] - [ 0.0001483500000000, 0.0000000000000000, 0.0017852300000000 ] - [ -0.0001123100000000, -0.0000186000000000, 0.0006478900000000 ] - [ -0.0029588600000000, 0.0000000000000000, -0.0020673400000000 ] - [ 0.0016178800000000, -0.0009341400000000, -0.0021546500000000 ] - [ 0.0000545700000000, 0.0000000000000000, -0.0000428000000000 ] - [ 0.0016252800000000, 0.0009729500000000, -0.0020755100000000 ] - [ -0.0003362400000000, 0.0000000000000000, 0.0039403500000000 ] - [ 0.0011854600000000, 0.0036109800000000, -0.0146234200000000 ] - [ -0.0076087000000000, 0.0000000000000000, -0.0145863700000000 ] - [ 0.0007323000000000, -0.0028494800000000, -0.0139281000000000 ] - [ 0.0003662200000000, 0.0000000000000000, -0.0003287900000000 ] - [ 0.0003145600000000, -0.0002449800000000, 0.0013275800000000 ] - [ 0.0019113300000000, 0.0000000000000000, -0.0069337800000000 ] - [ 0.0013833600000000, -0.0007231800000000, 0.0012910900000000 ] - [ 0.0001316700000000, 0.0000000000000000, 0.0014587800000000 ] - [ -0.0000655600000000, 0.0000293500000000, 0.0006302300000000 ] - [ 0.0002082300000000, 0.0000000000000000, 0.0009639400000000 ] - [ 0.0013833600000000, 0.0007231800000000, 0.0012910900000000 ] - [ -0.0000750600000000, 0.0000000000000000, 0.0010625000000000 ] - [ 0.0001582300000000, -0.0000918000000000, 0.0009813200000000 ] - [ 0.0002184000000000, 0.0000000000000000, 0.0012054300000000 ] - [ 0.0001760700000000, 0.0001422800000000, 0.0009685300000000 ] - [ -0.0000647600000000, 0.0000000000000000, 0.0014443200000000 ] - [ 0.0001582300000000, 0.0000918000000000, 0.0009813200000000 ] - [ -0.0000048800000000, 0.0000000000000000, 0.0009441900000000 ] - [ 0.0002807300000000, -0.0001525700000000, 0.0009030300000000 ] - [ -0.0000518200000000, 0.0000000000000000, 0.0011450700000000 ] - [ -0.0000446300000000, 0.0000000000000000, 0.0013749900000000 ] - [ 0.0001534800000000, 0.0000341100000000, 0.0010519500000000 ] - [ 0.0001534800000000, -0.0000341100000000, 0.0010519500000000 ]- atom: 7 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0003260800000000, 0.0000000000000000, 0.0001550700000000 ] - [ -0.0000400800000000, 0.0000000000000000, -0.0000581500000000 ] - [ -0.0001061400000000, 0.0000000000000000, 0.0000510400000000 ] - [ -0.0001276600000000, 0.0000000000000000, 0.0000580400000000 ] - [ -0.0017007200000000, 0.0000000000000000, 0.0006143900000000 ] - [ -0.0001677900000000, 0.0000000000000000, -0.0001287700000000 ] - [ -0.1214358100000000, 0.0000000000000000, 0.0089159200000000 ] - [ 0.0012820500000000, 0.0000000000000000, 0.0006419500000000 ] - [ 0.0007680400000000, 0.0000000000000000, -0.0006618100000000 ] - [ 0.0031421500000000, 0.0000000000000000, -0.0091129000000000 ] - [ 0.0003639800000000, 0.0000000000000000, -0.0002315600000000 ] - [ -0.0001297800000000, 0.0000000000000000, 0.0000453400000000 ] - [ -0.0000405700000000, 0.0000000000000000, -0.0000463700000000 ] - [ -0.0000680700000000, 0.0000000000000000, 0.0000494400000000 ] - [ 0.0007512900000000, 0.0000000000000000, -0.0006103200000000 ] - [ 0.0002617500000000, 0.0000000000000000, 0.0000567100000000 ] - [ 0.0033697200000000, 0.0000000000000000, -0.0006755600000000 ] - [ 0.0029433100000000, 0.0000000000000000, -0.0089120700000000 ] - [ -0.0017534600000000, 0.0000000000000000, 0.0006200500000000 ] - [ 0.0013935600000000, 0.0000000000000000, 0.0006402700000000 ] - [ -0.0000032900000000, 0.0000000000000000, 0.0003927000000000 ] - [ -0.0002204700000000, 0.0000000000000000, -0.0002756400000000 ] - [ -0.0000758900000000, -0.0001347100000000, -0.0000187400000000 ] - [ -0.0001667100000000, 0.0000000000000000, 0.0000918300000000 ] - [ -0.0000758900000000, 0.0001347100000000, -0.0000187400000000 ] - [ 0.0000795700000000, 0.0001022400000000, 0.0000116900000000 ] - [ -0.0021558600000000, 0.0000000000000000, 0.0099081600000000 ] - [ -0.0005878500000000, 0.0000000000000000, 0.0004033500000000 ] - [ -0.0001221700000000, -0.0001123300000000, -0.0000017800000000 ] - [ 0.0061798000000000, 0.0000000000000000, -0.0002491400000000 ] - [ -0.0001914500000000, 0.0000000000000000, 0.0000360800000000 ] - [ -0.0005851900000000, 0.0008990800000000, -0.0011529000000000 ] - [ 0.0014759300000000, -0.0000289300000000, 0.0007586000000000 ] - [ -0.0001136300000000, 0.0000000000000000, 0.0004460300000000 ] - [ 0.0167658200000000, 0.0121540100000000, -0.0014793600000000 ] - [ 0.0024980600000000, 0.0000000000000000, -0.0020537100000000 ] - [ 0.0167658200000000, -0.0121540100000000, -0.0014793600000000 ] - [ 0.0014140100000000, 0.0000765800000000, 0.0007058300000000 ] - [ -0.0005218500000000, -0.0009594300000000, -0.0011563300000000 ] - [ 0.0061796900000000, 0.0000000000000000, -0.0002261100000000 ] - [ 0.0001400900000000, 0.0000000000000000, -0.0002501400000000 ] - [ 0.0004190300000000, 0.0000000000000000, 0.0001449200000000 ] - [ 0.0001259500000000, -0.0001458900000000, 0.0000201800000000 ] - [ -0.0001436800000000, 0.0000000000000000, 0.0000790400000000 ] - [ 0.0001259500000000, 0.0001458900000000, 0.0000201800000000 ] - [ -0.0001221700000000, 0.0001123300000000, -0.0000017800000000 ] - [ 0.0025567900000000, 0.0000000000000000, -0.0020262700000000 ] - [ 0.0004519000000000, 0.0000000000000000, -0.0002327200000000 ] - [ 0.0000795700000000, -0.0001022400000000, 0.0000116900000000 ] - [ -0.0111872200000000, 0.0000000000000000, -0.0004217400000000 ] - [ -0.0001555600000000, 0.0000000000000000, 0.0000173100000000 ] - [ 0.0014759300000000, 0.0000289300000000, 0.0007586000000000 ] - [ -0.0005851900000000, -0.0008990800000000, -0.0011529000000000 ] - [ -0.0000133500000000, 0.0000000000000000, -0.0001948400000000 ] - [ 0.0167702800000000, 0.0121437800000000, -0.0014724900000000 ] - [ -0.0022115400000000, 0.0000000000000000, 0.0098524000000000 ] - [ 0.0167702800000000, -0.0121437800000000, -0.0014724900000000 ] - [ -0.0005218500000000, 0.0009594300000000, -0.0011563300000000 ] - [ 0.0014140100000000, -0.0000765800000000, 0.0007058300000000 ] - [ -0.0111662900000000, 0.0000000000000000, -0.0004260500000000 ] - [ 0.0000303300000000, 0.0001281200000000, 0.0001042100000000 ] - [ -0.0000778400000000, 0.0000000000000000, 0.0001447600000000 ] - [ -0.0001094100000000, -0.0001682500000000, -0.0001447300000000 ] - [ 0.0001382400000000, 0.0000000000000000, -0.0000654200000000 ] - [ -0.0000951600000000, 0.0000000000000000, -0.0000624700000000 ] - [ -0.0000428500000000, -0.0000115800000000, 0.0000251100000000 ] - [ 0.0001661800000000, 0.0000000000000000, -0.0001347100000000 ] - [ -0.0000308800000000, 0.0000005200000000, -0.0000303500000000 ] - [ -0.0000638900000000, 0.0000000000000000, 0.0000632500000000 ] - [ -0.0000428500000000, 0.0000115800000000, 0.0000251100000000 ] - [ -0.0000695500000000, 0.0000000000000000, -0.0000109200000000 ] - [ -0.0000308800000000, -0.0000005200000000, -0.0000303500000000 ] - [ 0.0001156800000000, 0.0000000000000000, -0.0001053400000000 ] - [ 0.0005516000000000, -0.0002665900000000, 0.0000616000000000 ] - [ 0.0000028400000000, 0.0000000000000000, -0.0000484100000000 ] - [ 0.0000721300000000, 0.0001246200000000, 0.0001070500000000 ] - [ -0.0012236200000000, 0.0000000000000000, 0.0001136300000000 ] - [ -0.0004356100000000, 0.0000272200000000, -0.0000246100000000 ] - [ -0.0001071200000000, 0.0000000000000000, -0.0004540000000000 ] - [ -0.0000859600000000, -0.0000680200000000, -0.0001185700000000 ] - [ 0.0030771900000000, 0.0000000000000000, -0.0002387000000000 ] - [ -0.0038004400000000, -0.0005202000000000, -0.0006748500000000 ] - [ -0.0002784900000000, 0.0000000000000000, -0.0009441800000000 ] - [ -0.0007949000000000, -0.0013942400000000, -0.0023397400000000 ] - [ -0.0024224300000000, 0.0000000000000000, 0.0009030100000000 ] - [ 0.0115718700000000, -0.0022364500000000, -0.0024545000000000 ] - [ 0.0031788900000000, 0.0000000000000000, -0.0025853700000000 ] - [ -0.0007949000000000, 0.0013942400000000, -0.0023397400000000 ] - [ -0.0049615000000000, 0.0000000000000000, 0.0025733800000000 ] - [ -0.0004560800000000, -0.0000982200000000, 0.0015665800000000 ] - [ 0.0151806500000000, 0.0000000000000000, 0.0055437800000000 ] - [ -0.0036682800000000, 0.0006003300000000, -0.0006529500000000 ] - [ 0.0001022300000000, 0.0000000000000000, 0.0004476400000000 ] - [ -0.0004560800000000, 0.0000982200000000, 0.0015665800000000 ] - [ 0.0033062800000000, 0.0000000000000000, -0.0002832900000000 ] - [ 0.0120451300000000, 0.0027470100000000, -0.0029397300000000 ] - [ -0.0002464000000000, 0.0000000000000000, -0.0003784900000000 ] - [ -0.0012674300000000, 0.0000000000000000, 0.0001128500000000 ] - [ -0.0003668000000000, -0.0000096000000000, 0.0000901200000000 ] - [ -0.0003668000000000, 0.0000096000000000, 0.0000901200000000 ] - [ -0.0001094100000000, 0.0001682500000000, -0.0001447300000000 ] - [ -0.0001240800000000, 0.0000000000000000, 0.0000948700000000 ] - [ 0.0000303300000000, -0.0001281200000000, 0.0001042100000000 ] - [ -0.0001525800000000, 0.0000000000000000, 0.0000194900000000 ] - [ -0.0000502500000000, 0.0000000000000000, -0.0000359900000000 ] - [ -0.0000836600000000, -0.0000071200000000, 0.0000442300000000 ] - [ -0.0000161000000000, 0.0000000000000000, -0.0000795800000000 ] - [ -0.0000815500000000, -0.0000044900000000, -0.0000151800000000 ] - [ -0.0002381500000000, 0.0000000000000000, 0.0001538700000000 ] - [ -0.0000836600000000, 0.0000071200000000, 0.0000442300000000 ] - [ -0.0000194500000000, 0.0000000000000000, 0.0000102400000000 ] - [ -0.0000815500000000, 0.0000044900000000, -0.0000151800000000 ] - [ -0.0001315300000000, 0.0000000000000000, 0.0000048400000000 ] - [ -0.0004356100000000, -0.0000272200000000, -0.0000246100000000 ] - [ -0.0000461500000000, 0.0000000000000000, -0.0000925500000000 ] - [ -0.0000859600000000, 0.0000680200000000, -0.0001185700000000 ] - [ 0.0017746200000000, 0.0000000000000000, 0.0030540300000000 ] - [ 0.0005516000000000, 0.0002665900000000, 0.0000616000000000 ] - [ -0.0001265600000000, 0.0000000000000000, 0.0005636700000000 ] - [ 0.0000721300000000, -0.0001246200000000, 0.0001070500000000 ] - [ -0.0017153700000000, 0.0000000000000000, 0.0001158600000000 ] - [ 0.0115718700000000, 0.0022364500000000, -0.0024545000000000 ] - [ 0.0000821400000000, 0.0000000000000000, 0.0002342500000000 ] - [ -0.0004314600000000, 0.0001151000000000, 0.0016695500000000 ] - [ 0.0139542500000000, 0.0000000000000000, 0.0044780600000000 ] - [ -0.0038004400000000, 0.0005202000000000, -0.0006748500000000 ] - [ -0.0049412700000000, 0.0000000000000000, 0.0025994800000000 ] - [ -0.0004314600000000, -0.0001151000000000, 0.0016695500000000 ] - [ 0.0032356000000000, 0.0000000000000000, -0.0026015100000000 ] - [ -0.0008007900000000, 0.0014229400000000, -0.0024144000000000 ] - [ -0.0025251900000000, 0.0000000000000000, 0.0009237400000000 ] - [ 0.0120451300000000, -0.0027470100000000, -0.0029397300000000 ] - [ -0.0001696100000000, 0.0000000000000000, -0.0007159000000000 ] - [ -0.0008007900000000, -0.0014229400000000, -0.0024144000000000 ] - [ -0.0014618400000000, 0.0000000000000000, 0.0000749400000000 ] - [ -0.0036682800000000, -0.0006003300000000, -0.0006529500000000 ] - [ -0.0000051900000000, 0.0000000000000000, 0.0006836300000000 ] - [ 0.0017293300000000, 0.0000000000000000, 0.0029889500000000 ] - [ 0.0005934000000000, 0.0002479400000000, 0.0001806400000000 ] - [ 0.0005934000000000, -0.0002479400000000, 0.0001806400000000 ]- atom: 7 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0003931000000000, 0.0000000000000000, -0.0003092100000000 ] - [ -0.0001142900000000, 0.0000000000000000, 0.0000254700000000 ] - [ -0.0000127400000000, 0.0000000000000000, -0.0000686700000000 ] - [ -0.0000704500000000, 0.0000000000000000, 0.0000282700000000 ] - [ 0.0016831200000000, 0.0000000000000000, -0.0006446800000000 ] - [ 0.0002384500000000, 0.0000000000000000, 0.0001215400000000 ] - [ 0.1214575200000000, 0.0000000000000000, -0.0088724800000000 ] - [ -0.0012787100000000, 0.0000000000000000, -0.0006952700000000 ] - [ -0.0008188100000000, 0.0000000000000000, 0.0005852500000000 ] - [ -0.0029144000000000, 0.0000000000000000, 0.0090076600000000 ] - [ -0.0002988700000000, 0.0000000000000000, 0.0000774400000000 ] - [ -0.0000245100000000, 0.0000000000000000, -0.0000786600000000 ] - [ -0.0000769600000000, 0.0000000000000000, 0.0000284000000000 ] - [ -0.0001306900000000, 0.0000000000000000, 0.0000361000000000 ] - [ -0.0007623800000000, 0.0000000000000000, 0.0005808200000000 ] - [ -0.0001909300000000, 0.0000000000000000, -0.0000636500000000 ] - [ -0.0033254100000000, 0.0000000000000000, 0.0007138100000000 ] - [ -0.0029231300000000, 0.0000000000000000, 0.0089126300000000 ] - [ 0.0017083500000000, 0.0000000000000000, -0.0006962200000000 ] - [ -0.0011487800000000, 0.0000000000000000, -0.0006896900000000 ] - [ 0.0001263800000000, 0.0000000000000000, -0.0004258500000000 ] - [ 0.0003825000000000, 0.0000000000000000, 0.0002686500000000 ] - [ 0.0001102100000000, -0.0001657900000000, -0.0000068100000000 ] - [ -0.0001439300000000, 0.0000000000000000, 0.0000336100000000 ] - [ 0.0001102100000000, 0.0001657900000000, -0.0000068100000000 ] - [ -0.0001483600000000, 0.0000784300000000, -0.0000312200000000 ] - [ 0.0021553400000000, 0.0000000000000000, -0.0098549300000000 ] - [ 0.0004981400000000, 0.0000000000000000, -0.0003480200000000 ] - [ 0.0000529000000000, -0.0000685200000000, -0.0000179000000000 ] - [ -0.0060887300000000, 0.0000000000000000, 0.0001370100000000 ] - [ -0.0001515700000000, 0.0000000000000000, -0.0000272600000000 ] - [ 0.0006311700000000, -0.0009799600000000, 0.0011265800000000 ] - [ -0.0014304900000000, 0.0001127200000000, -0.0007787500000000 ] - [ -0.0000146000000000, 0.0000000000000000, -0.0003852000000000 ] - [ -0.0163320500000000, -0.0120098300000000, 0.0014324700000000 ] - [ -0.0025865600000000, 0.0000000000000000, 0.0020416800000000 ] - [ -0.0163320500000000, 0.0120098300000000, 0.0014324700000000 ] - [ -0.0013642300000000, -0.0000498300000000, -0.0007927900000000 ] - [ 0.0005707000000000, 0.0009356200000000, 0.0010753800000000 ] - [ -0.0060728900000000, 0.0000000000000000, 0.0001887900000000 ] - [ -0.0000176400000000, 0.0000000000000000, 0.0002180400000000 ] - [ -0.0002577400000000, 0.0000000000000000, -0.0001547300000000 ] - [ -0.0000908300000000, -0.0001539400000000, -0.0000454900000000 ] - [ -0.0001659200000000, 0.0000000000000000, 0.0000461300000000 ] - [ -0.0000908300000000, 0.0001539400000000, -0.0000454900000000 ] - [ 0.0000529000000000, 0.0000685200000000, -0.0000179000000000 ] - [ -0.0025468100000000, 0.0000000000000000, 0.0020671700000000 ] - [ -0.0005379300000000, 0.0000000000000000, 0.0002875500000000 ] - [ -0.0001483600000000, -0.0000784300000000, -0.0000312200000000 ] - [ 0.0112587200000000, 0.0000000000000000, 0.0002742200000000 ] - [ -0.0001873800000000, 0.0000000000000000, -0.0000084400000000 ] - [ -0.0014304900000000, -0.0001127200000000, -0.0007787500000000 ] - [ 0.0006311700000000, 0.0009799600000000, 0.0011265800000000 ] - [ -0.0001137500000000, 0.0000000000000000, 0.0002545900000000 ] - [ -0.0166639100000000, -0.0123480800000000, 0.0014461700000000 ] - [ 0.0021319500000000, 0.0000000000000000, -0.0098773600000000 ] - [ -0.0166639100000000, 0.0123480800000000, 0.0014461700000000 ] - [ 0.0005707000000000, -0.0009356200000000, 0.0010753800000000 ] - [ -0.0013642300000000, 0.0000498300000000, -0.0007927900000000 ] - [ 0.0112921500000000, 0.0000000000000000, 0.0004240400000000 ] - [ -0.0000795600000000, 0.0001381500000000, -0.0001113800000000 ] - [ -0.0001237100000000, 0.0000000000000000, 0.0001397000000000 ] - [ 0.0000602800000000, -0.0000985900000000, 0.0001379000000000 ] - [ -0.0002006100000000, 0.0000000000000000, 0.0000472600000000 ] - [ -0.0000540000000000, 0.0000000000000000, -0.0000144500000000 ] - [ -0.0000828300000000, -0.0000077300000000, 0.0000634000000000 ] - [ -0.0000176400000000, 0.0000000000000000, -0.0001031500000000 ] - [ -0.0000812300000000, -0.0000024600000000, 0.0000051000000000 ] - [ -0.0002380300000000, 0.0000000000000000, 0.0000966000000000 ] - [ -0.0000828300000000, 0.0000077300000000, 0.0000634000000000 ] - [ -0.0000204200000000, 0.0000000000000000, 0.0000316100000000 ] - [ -0.0000812300000000, 0.0000024600000000, 0.0000051000000000 ] - [ -0.0001753600000000, 0.0000000000000000, 0.0000433900000000 ] - [ -0.0005700900000000, 0.0001461500000000, -0.0001968900000000 ] - [ -0.0000467500000000, 0.0000000000000000, -0.0000487500000000 ] - [ -0.0000549600000000, 0.0000983200000000, -0.0000732000000000 ] - [ 0.0013529300000000, 0.0000000000000000, -0.0000911200000000 ] - [ 0.0004145500000000, 0.0000933400000000, -0.0001127100000000 ] - [ 0.0000748700000000, 0.0000000000000000, 0.0005058200000000 ] - [ 0.0001033600000000, -0.0001546100000000, 0.0001524400000000 ] - [ -0.0032398000000000, 0.0000000000000000, 0.0002758200000000 ] - [ 0.0037455300000000, 0.0005503300000000, 0.0005989100000000 ] - [ 0.0001196700000000, 0.0000000000000000, 0.0007829600000000 ] - [ 0.0008690100000000, 0.0014019300000000, 0.0025423000000000 ] - [ 0.0026986700000000, 0.0000000000000000, -0.0009551500000000 ] - [ -0.0117362600000000, 0.0024014300000000, 0.0025635500000000 ] - [ -0.0031430400000000, 0.0000000000000000, 0.0026702900000000 ] - [ 0.0008690100000000, -0.0014019300000000, 0.0025423000000000 ] - [ 0.0050265800000000, 0.0000000000000000, -0.0025435700000000 ] - [ 0.0005014500000000, 0.0001382700000000, -0.0015689100000000 ] - [ -0.0139788300000000, 0.0000000000000000, -0.0046920200000000 ] - [ 0.0038924500000000, -0.0004799600000000, 0.0006164200000000 ] - [ -0.0001347500000000, 0.0000000000000000, -0.0001999300000000 ] - [ 0.0005014500000000, -0.0001382700000000, -0.0015689100000000 ] - [ -0.0029906400000000, 0.0000000000000000, 0.0002029600000000 ] - [ -0.0117105700000000, -0.0026643300000000, 0.0027131900000000 ] - [ 0.0002262500000000, 0.0000000000000000, 0.0006035100000000 ] - [ 0.0013020200000000, 0.0000000000000000, -0.0001276900000000 ] - [ 0.0004651400000000, 0.0000623100000000, -0.0000304800000000 ] - [ 0.0004651400000000, -0.0000623100000000, -0.0000304800000000 ] - [ 0.0000602800000000, 0.0000985900000000, 0.0001379000000000 ] - [ -0.0000770300000000, 0.0000000000000000, 0.0001901000000000 ] - [ -0.0000795600000000, -0.0001381500000000, -0.0001113800000000 ] - [ 0.0000909900000000, 0.0000000000000000, -0.0000374600000000 ] - [ -0.0000988700000000, 0.0000000000000000, -0.0000410200000000 ] - [ -0.0000419400000000, -0.0000115000000000, 0.0000441300000000 ] - [ 0.0001652500000000, 0.0000000000000000, -0.0001581900000000 ] - [ -0.0000305900000000, 0.0000026100000000, -0.0000101500000000 ] - [ -0.0000637100000000, 0.0000000000000000, 0.0000059200000000 ] - [ -0.0000419400000000, 0.0000115000000000, 0.0000441300000000 ] - [ -0.0000707700000000, 0.0000000000000000, 0.0000106400000000 ] - [ -0.0000305900000000, -0.0000026100000000, -0.0000101500000000 ] - [ 0.0000708400000000, 0.0000000000000000, -0.0000666200000000 ] - [ 0.0004145500000000, -0.0000933400000000, -0.0001127100000000 ] - [ 0.0000021300000000, 0.0000000000000000, -0.0000050500000000 ] - [ 0.0001033600000000, 0.0001546100000000, 0.0001524400000000 ] - [ -0.0016420000000000, 0.0000000000000000, -0.0030175700000000 ] - [ -0.0005700900000000, -0.0001461500000000, -0.0001968900000000 ] - [ 0.0000926200000000, 0.0000000000000000, -0.0005094200000000 ] - [ -0.0000549600000000, -0.0000983200000000, -0.0000732000000000 ] - [ 0.0015434500000000, 0.0000000000000000, -0.0000813400000000 ] - [ -0.0117362600000000, -0.0024014300000000, 0.0025635500000000 ] - [ -0.0002406200000000, 0.0000000000000000, -0.0003929700000000 ] - [ 0.0004998100000000, -0.0001089300000000, -0.0014615900000000 ] - [ -0.0148302100000000, 0.0000000000000000, -0.0053538700000000 ] - [ 0.0037455300000000, -0.0005503300000000, 0.0005989100000000 ] - [ 0.0049810700000000, 0.0000000000000000, -0.0025283000000000 ] - [ 0.0004998100000000, 0.0001089300000000, -0.0014615900000000 ] - [ -0.0031659600000000, 0.0000000000000000, 0.0026172700000000 ] - [ 0.0008400900000000, -0.0013832800000000, 0.0024173700000000 ] - [ 0.0025625600000000, 0.0000000000000000, -0.0008989100000000 ] - [ -0.0117105700000000, 0.0026643300000000, 0.0027131900000000 ] - [ 0.0001367300000000, 0.0000000000000000, 0.0009657700000000 ] - [ 0.0008400900000000, 0.0013832800000000, 0.0024173700000000 ] - [ 0.0017865800000000, 0.0000000000000000, -0.0001515400000000 ] - [ 0.0038924500000000, 0.0004799600000000, 0.0006164200000000 ] - [ -0.0000142800000000, 0.0000000000000000, -0.0004609400000000 ] - [ -0.0016983400000000, 0.0000000000000000, -0.0030178000000000 ] - [ -0.0004972900000000, -0.0001958000000000, -0.0001227500000000 ] - [ -0.0004972900000000, 0.0001958000000000, -0.0001227500000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000328000000000, 0.0000388100000000, -0.0000781300000000 ] - [ -0.0000780800000000, -0.0000055800000000, -0.0000163400000000 ] - [ -0.0000588900000000, -0.0000039700000000, -0.0000092800000000 ] - [ -0.0000994900000000, -0.0000026200000000, 0.0000441800000000 ] - [ -0.0000070900000000, -0.0000902300000000, -0.0000150100000000 ] - [ 0.0000351500000000, -0.0000334300000000, -0.0000035400000000 ] - [ 0.0000242600000000, -0.0792993600000000, 0.0000659400000000 ] - [ 0.0000070300000000, -0.0002094100000000, -0.0000239800000000 ] - [ -0.0000245800000000, -0.0003754900000000, -0.0000386900000000 ] - [ 0.0001100800000000, -0.0066976100000000, -0.0000094400000000 ] - [ 0.0000328100000000, 0.0000461700000000, -0.0000784000000000 ] - [ -0.0000781400000000, -0.0000048900000000, -0.0000165900000000 ] - [ -0.0000584900000000, -0.0000046800000000, -0.0000092500000000 ] - [ -0.0000994900000000, -0.0000016400000000, 0.0000440500000000 ] - [ -0.0000069000000000, -0.0003806400000000, -0.0000149300000000 ] - [ 0.0000349200000000, -0.0000321800000000, -0.0000038300000000 ] - [ 0.0000215600000000, -0.0001759600000000, 0.0000193300000000 ] - [ 0.0000127800000000, -0.0066491100000000, -0.0000422200000000 ] - [ -0.0000246600000000, -0.0000902700000000, -0.0000388100000000 ] - [ 0.0001162500000000, -0.0002083300000000, -0.0000282200000000 ] - [ 0.0000583800000000, 0.0000089800000000, -0.0000177700000000 ] - [ 0.0000819300000000, -0.0000593600000000, -0.0000064900000000 ] - [ 0.0000239100000000, -0.0001493400000000, -0.0000083300000000 ] - [ -0.0001559300000000, 0.0000010100000000, 0.0000630100000000 ] - [ 0.0000142600000000, 0.0001478200000000, -0.0000164300000000 ] - [ -0.0000320900000000, 0.0000893100000000, -0.0000068400000000 ] - [ -0.0000001200000000, -0.0006567700000000, 0.0000112200000000 ] - [ -0.0000453100000000, 0.0000758000000000, 0.0000260000000000 ] - [ -0.0000393200000000, -0.0000904100000000, -0.0000151200000000 ] - [ 0.0000485700000000, 0.0002927000000000, -0.0000606800000000 ] - [ -0.0001695300000000, 0.0000012800000000, 0.0000050800000000 ] - [ 0.0003965700000000, -0.0000393500000000, 0.0006420600000000 ] - [ -0.0000641700000000, 0.0000464000000000, -0.0000487800000000 ] - [ -0.0000627800000000, 0.0000058500000000, 0.0000305100000000 ] - [ 0.0134379200000000, 0.0024965800000000, 0.0030503800000000 ] - [ -0.0000447300000000, 0.0013197300000000, -0.0000073700000000 ] - [ -0.0130822400000000, 0.0025640000000000, -0.0030910800000000 ] - [ 0.0001073700000000, 0.0000182500000000, -0.0000080200000000 ] - [ -0.0003481800000000, -0.0000112800000000, -0.0006906700000000 ] - [ 0.0000508600000000, 0.0002921600000000, -0.0000130200000000 ] - [ 0.0000580700000000, 0.0000152400000000, -0.0000177300000000 ] - [ 0.0000819500000000, -0.0000503300000000, -0.0000066000000000 ] - [ 0.0000233100000000, -0.0001491300000000, -0.0000095500000000 ] - [ -0.0001558700000000, 0.0000008800000000, 0.0000629400000000 ] - [ 0.0000148900000000, 0.0001480400000000, -0.0000151900000000 ] - [ -0.0000313500000000, 0.0000892900000000, -0.0000056800000000 ] - [ 0.0000042200000000, 0.0013556600000000, 0.0000220500000000 ] - [ -0.0000453500000000, 0.0001014800000000, 0.0000259700000000 ] - [ -0.0000385400000000, -0.0000903400000000, -0.0000139100000000 ] - [ 0.0000252000000000, 0.0181929500000000, 0.0000044000000000 ] - [ -0.0001695300000000, 0.0000012500000000, 0.0000050100000000 ] - [ 0.0001076100000000, -0.0000364100000000, 0.0000262900000000 ] - [ -0.0003518800000000, 0.0000441300000000, -0.0006644500000000 ] - [ -0.0000625800000000, 0.0000116300000000, 0.0000304400000000 ] - [ 0.0134835100000000, 0.0025693200000000, 0.0030695800000000 ] - [ -0.0000405900000000, -0.0006200800000000, 0.0000032500000000 ] - [ -0.0132973700000000, 0.0025557300000000, -0.0031014100000000 ] - [ 0.0003979500000000, 0.0000158100000000, 0.0006044300000000 ] - [ -0.0000565600000000, -0.0000082800000000, -0.0000779800000000 ] - [ 0.0000748600000000, 0.0182198100000000, -0.0000784300000000 ] - [ -0.0000242500000000, 0.0001342300000000, -0.0000177400000000 ] - [ -0.0001007800000000, 0.0000006000000000, 0.0001426400000000 ] - [ -0.0000308600000000, -0.0001373700000000, 0.0000061500000000 ] - [ -0.0000289700000000, 0.0000087000000000, -0.0000109900000000 ] - [ -0.0000755000000000, -0.0000018600000000, -0.0000386100000000 ] - [ -0.0000623100000000, -0.0000125700000000, 0.0000465100000000 ] - [ 0.0000738500000000, -0.0000086000000000, -0.0001201100000000 ] - [ -0.0000565700000000, -0.0000012100000000, -0.0000134600000000 ] - [ -0.0001520700000000, -0.0000111800000000, 0.0000779000000000 ] - [ -0.0000626800000000, 0.0000106900000000, 0.0000425100000000 ] - [ -0.0000468300000000, -0.0000014700000000, 0.0000106400000000 ] - [ -0.0000570900000000, -0.0000002900000000, -0.0000113800000000 ] - [ -0.0000298800000000, 0.0000087200000000, -0.0000311100000000 ] - [ 0.0000400300000000, -0.0000849600000000, 0.0000336000000000 ] - [ -0.0000220400000000, 0.0000001500000000, -0.0000503200000000 ] - [ 0.0000079700000000, 0.0001113400000000, 0.0000273000000000 ] - [ 0.0000632600000000, 0.0000238500000000, 0.0000113000000000 ] - [ 0.0000551700000000, 0.0000627100000000, -0.0001471900000000 ] - [ -0.0000193000000000, -0.0000140100000000, 0.0000262000000000 ] - [ 0.0000117300000000, -0.0001101000000000, 0.0000080200000000 ] - [ -0.0000862100000000, 0.0012229500000000, 0.0000182600000000 ] - [ 0.0001657700000000, 0.0000987500000000, -0.0000688500000000 ] - [ -0.0000790200000000, 0.0000225800000000, -0.0000784400000000 ] - [ 0.0001158100000000, 0.0001488000000000, 0.0003008900000000 ] - [ 0.0001315600000000, -0.0022961600000000, -0.0000255300000000 ] - [ -0.0010743400000000, 0.0089730500000000, 0.0036326600000000 ] - [ -0.0000059400000000, -0.0038088400000000, 0.0000358900000000 ] - [ -0.0000423700000000, 0.0001437700000000, -0.0000953200000000 ] - [ 0.0000389600000000, 0.0023641400000000, 0.0000084000000000 ] - [ 0.0007203600000000, 0.0000837700000000, -0.0012423000000000 ] - [ -0.0000282400000000, 0.0079351000000000, -0.0000181300000000 ] - [ -0.0000771800000000, 0.0001428500000000, 0.0000197800000000 ] - [ -0.0000180800000000, 0.0000974300000000, 0.0001228600000000 ] - [ -0.0006810900000000, 0.0000481500000000, 0.0012441200000000 ] - [ 0.0001644700000000, 0.0012516300000000, -0.0000398700000000 ] - [ 0.0015500500000000, 0.0095421700000000, -0.0042152600000000 ] - [ -0.0000110700000000, -0.0000083200000000, 0.0001114200000000 ] - [ 0.0000190800000000, 0.0000232500000000, -0.0000065600000000 ] - [ 0.0001126400000000, 0.0000424600000000, -0.0000460600000000 ] - [ -0.0000132900000000, -0.0000078200000000, 0.0001019300000000 ] - [ -0.0000205200000000, 0.0001317500000000, -0.0000165000000000 ] - [ -0.0001007600000000, 0.0000004300000000, 0.0001426300000000 ] - [ -0.0000270500000000, -0.0001346000000000, 0.0000075700000000 ] - [ -0.0000289600000000, 0.0000042100000000, -0.0000109400000000 ] - [ -0.0000755000000000, -0.0000018300000000, -0.0000386000000000 ] - [ -0.0000625800000000, -0.0000124100000000, 0.0000460600000000 ] - [ 0.0000739500000000, -0.0000044500000000, -0.0001201500000000 ] - [ -0.0000563000000000, -0.0000010400000000, -0.0000130600000000 ] - [ -0.0001519000000000, -0.0000056200000000, 0.0000779600000000 ] - [ -0.0000621500000000, 0.0000107400000000, 0.0000430200000000 ] - [ -0.0000469100000000, -0.0000015400000000, 0.0000105300000000 ] - [ -0.0000573100000000, -0.0000003900000000, -0.0000117400000000 ] - [ -0.0000298100000000, 0.0000040000000000, -0.0000311800000000 ] - [ -0.0000738900000000, -0.0000638500000000, 0.0000115100000000 ] - [ -0.0000221400000000, 0.0000000400000000, -0.0000503800000000 ] - [ 0.0000051200000000, 0.0001102700000000, 0.0000256300000000 ] - [ 0.0000666800000000, -0.0013024100000000, 0.0000125600000000 ] - [ -0.0000586300000000, 0.0000417900000000, -0.0001688200000000 ] - [ -0.0000190900000000, -0.0000914700000000, 0.0000260700000000 ] - [ 0.0000088400000000, -0.0001087300000000, 0.0000062300000000 ] - [ -0.0000828500000000, -0.0000241200000000, 0.0000175700000000 ] - [ 0.0006570300000000, 0.0084104200000000, -0.0032031000000000 ] - [ -0.0000788500000000, 0.0001071900000000, -0.0000782100000000 ] - [ -0.0006671500000000, 0.0000463500000000, 0.0013475600000000 ] - [ 0.0001837000000000, 0.0079918600000000, 0.0000054800000000 ] - [ -0.0002203400000000, 0.0000679700000000, -0.0000021800000000 ] - [ 0.0000135900000000, 0.0023539000000000, 0.0000420600000000 ] - [ 0.0007388700000000, 0.0000455200000000, -0.0011432000000000 ] - [ 0.0000591900000000, -0.0038125400000000, 0.0000146100000000 ] - [ -0.0000592700000000, 0.0001656700000000, -0.0001945200000000 ] - [ 0.0000249200000000, -0.0022710300000000, 0.0000134700000000 ] - [ -0.0009464100000000, 0.0090451600000000, 0.0036543400000000 ] - [ -0.0000182700000000, 0.0000202400000000, 0.0001229100000000 ] - [ 0.0000963400000000, 0.0001255500000000, 0.0001951600000000 ] - [ 0.0001607800000000, -0.0000212300000000, -0.0000391200000000 ] - [ 0.0002997500000000, 0.0000240600000000, -0.0000607600000000 ] - [ -0.0000111200000000, -0.0000809500000000, 0.0001115600000000 ] - [ 0.0000155200000000, -0.0013047800000000, -0.0000074300000000 ] - [ 0.0000089500000000, 0.0000249100000000, -0.0000802900000000 ] - [ 0.0000906500000000, -0.0000257200000000, 0.0001360500000000 ]- atom: 7 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0002687800000000, 0.0000000000000000, 0.0009682900000000 ] - [ -0.0002063700000000, 0.0000000000000000, 0.0008682600000000 ] - [ -0.0000152000000000, 0.0000000000000000, 0.0008394600000000 ] - [ -0.0000561600000000, 0.0000000000000000, 0.0010326200000000 ] - [ 0.0003688700000000, 0.0000000000000000, 0.0009316700000000 ] - [ -0.0000145300000000, 0.0000000000000000, 0.0011229300000000 ] - [ -0.0083810700000000, 0.0000000000000000, -0.0804132100000000 ] - [ 0.0007349500000000, 0.0000000000000000, -0.0008797400000000 ] - [ -0.0005162600000000, 0.0000000000000000, 0.0005348900000000 ] - [ -0.0089027900000000, 0.0000000000000000, 0.0069190500000000 ] - [ -0.0001981600000000, 0.0000000000000000, 0.0007693000000000 ] - [ -0.0001202900000000, 0.0000000000000000, 0.0008291000000000 ] - [ -0.0001023200000000, 0.0000000000000000, 0.0008606800000000 ] - [ -0.0000739000000000, 0.0000000000000000, 0.0010089800000000 ] - [ -0.0004904500000000, 0.0000000000000000, 0.0005409700000000 ] - [ 0.0001061200000000, 0.0000000000000000, 0.0008585700000000 ] - [ -0.0001784200000000, 0.0000000000000000, -0.0038635100000000 ] - [ -0.0089949100000000, 0.0000000000000000, 0.0069065100000000 ] - [ 0.0003869700000000, 0.0000000000000000, 0.0009127000000000 ] - [ 0.0008581800000000, 0.0000000000000000, -0.0008637300000000 ] - [ 0.0001581900000000, 0.0000000000000000, 0.0012855500000000 ] - [ 0.0000288600000000, 0.0000000000000000, 0.0017821200000000 ] - [ 0.0001397800000000, -0.0000962800000000, 0.0013991500000000 ] - [ -0.0001790600000000, 0.0000000000000000, 0.0015057300000000 ] - [ 0.0001397800000000, 0.0000962800000000, 0.0013991500000000 ] - [ -0.0000076100000000, 0.0000495900000000, 0.0012953800000000 ] - [ 0.0043645000000000, 0.0000000000000000, 0.0074838000000000 ] - [ 0.0003201600000000, 0.0000000000000000, 0.0016624600000000 ] - [ 0.0000120800000000, -0.0000260700000000, 0.0013894200000000 ] - [ 0.0013750100000000, 0.0000000000000000, -0.0016169800000000 ] - [ -0.0001930300000000, 0.0000000000000000, 0.0014449100000000 ] - [ -0.0008450100000000, 0.0004423100000000, 0.0021850500000000 ] - [ 0.0007505300000000, -0.0000476200000000, 0.0007822800000000 ] - [ 0.0000060000000000, 0.0000000000000000, 0.0013897200000000 ] - [ 0.0005630700000000, 0.0050684500000000, -0.0140143400000000 ] - [ -0.0016315600000000, 0.0000000000000000, -0.0003223900000000 ] - [ 0.0005630700000000, -0.0050684500000000, -0.0140143400000000 ] - [ 0.0007470700000000, 0.0001263200000000, 0.0007893000000000 ] - [ -0.0008379500000000, -0.0004619500000000, 0.0021404800000000 ] - [ 0.0013795400000000, 0.0000000000000000, -0.0015496400000000 ] - [ -0.0000971600000000, 0.0000000000000000, 0.0015129100000000 ] - [ 0.0001717000000000, 0.0000000000000000, 0.0012827000000000 ] - [ 0.0000963900000000, -0.0000973000000000, 0.0012967700000000 ] - [ -0.0002180900000000, 0.0000000000000000, 0.0014882900000000 ] - [ 0.0000963900000000, 0.0000973000000000, 0.0012967700000000 ] - [ 0.0000120800000000, 0.0000260700000000, 0.0013894200000000 ] - [ -0.0016348800000000, 0.0000000000000000, -0.0003055100000000 ] - [ -0.0003666300000000, 0.0000000000000000, 0.0013259100000000 ] - [ -0.0000076100000000, -0.0000495900000000, 0.0012953800000000 ] - [ 0.0039594400000000, 0.0000000000000000, 0.0013141900000000 ] - [ -0.0002317500000000, 0.0000000000000000, 0.0014354000000000 ] - [ 0.0007505300000000, 0.0000476200000000, 0.0007822800000000 ] - [ -0.0008450100000000, -0.0004423100000000, 0.0021850500000000 ] - [ -0.0002047000000000, 0.0000000000000000, 0.0015958700000000 ] - [ 0.0006863500000000, 0.0051099900000000, -0.0140899500000000 ] - [ 0.0041672700000000, 0.0000000000000000, 0.0073026300000000 ] - [ 0.0006863500000000, -0.0051099900000000, -0.0140899500000000 ] - [ -0.0008379500000000, 0.0004619500000000, 0.0021404800000000 ] - [ 0.0007470700000000, -0.0001263200000000, 0.0007893000000000 ] - [ 0.0038962300000000, 0.0000000000000000, 0.0014063700000000 ] - [ -0.0000846300000000, 0.0001507700000000, -0.0009646800000000 ] - [ -0.0000590800000000, 0.0000000000000000, -0.0010873300000000 ] - [ -0.0001404000000000, -0.0001696400000000, -0.0008366600000000 ] - [ -0.0000351800000000, 0.0000000000000000, -0.0010263800000000 ] - [ 0.0000631700000000, 0.0000000000000000, -0.0008743000000000 ] - [ -0.0001946400000000, 0.0000845300000000, -0.0007996600000000 ] - [ 0.0000481700000000, 0.0000000000000000, -0.0011231000000000 ] - [ -0.0001689500000000, -0.0000738500000000, -0.0008495800000000 ] - [ -0.0001523600000000, 0.0000000000000000, -0.0011781900000000 ] - [ -0.0001946400000000, -0.0000845300000000, -0.0007996600000000 ] - [ 0.0001073400000000, 0.0000000000000000, -0.0008344500000000 ] - [ -0.0001689500000000, 0.0000738500000000, -0.0008495800000000 ] - [ 0.0000643600000000, 0.0000000000000000, -0.0009402200000000 ] - [ -0.0003346600000000, -0.0000116400000000, -0.0012292500000000 ] - [ 0.0000294000000000, 0.0000000000000000, -0.0012365500000000 ] - [ -0.0000727100000000, 0.0000121200000000, -0.0008635300000000 ] - [ -0.0001256300000000, 0.0000000000000000, 0.0004030000000000 ] - [ 0.0000643900000000, 0.0000279700000000, -0.0006396000000000 ] - [ -0.0001902000000000, 0.0000000000000000, -0.0006411200000000 ] - [ -0.0001232000000000, -0.0000206700000000, -0.0007650700000000 ] - [ 0.0005598800000000, 0.0000000000000000, -0.0032440700000000 ] - [ -0.0015091300000000, -0.0008084700000000, 0.0017547900000000 ] - [ -0.0002809700000000, 0.0000000000000000, -0.0012032400000000 ] - [ -0.0010376000000000, -0.0008672600000000, -0.0007784000000000 ] - [ 0.0023880700000000, 0.0000000000000000, 0.0028938100000000 ] - [ 0.0005686600000000, 0.0040634600000000, 0.0144610800000000 ] - [ -0.0025441300000000, 0.0000000000000000, 0.0048873900000000 ] - [ -0.0010376000000000, 0.0008672600000000, -0.0007784000000000 ] - [ 0.0011760900000000, 0.0000000000000000, 0.0037393800000000 ] - [ 0.0011766200000000, -0.0001386300000000, -0.0005115800000000 ] - [ 0.0054138800000000, 0.0000000000000000, 0.0168753200000000 ] - [ -0.0013852800000000, 0.0008998700000000, 0.0017698300000000 ] - [ 0.0003921700000000, 0.0000000000000000, -0.0012525700000000 ] - [ 0.0011766200000000, 0.0001386300000000, -0.0005115800000000 ] - [ 0.0008349800000000, 0.0000000000000000, -0.0033059300000000 ] - [ 0.0006550300000000, -0.0042457300000000, 0.0145182300000000 ] - [ -0.0002525000000000, 0.0000000000000000, -0.0006102700000000 ] - [ -0.0001624900000000, 0.0000000000000000, 0.0003540000000000 ] - [ 0.0001411500000000, 0.0000605000000000, -0.0005594600000000 ] - [ 0.0001411500000000, -0.0000605000000000, -0.0005594600000000 ] - [ -0.0001404000000000, 0.0001696400000000, -0.0008366600000000 ] - [ -0.0000545400000000, 0.0000000000000000, -0.0010396600000000 ] - [ -0.0000846300000000, -0.0001507700000000, -0.0009646800000000 ] - [ 0.0001621600000000, 0.0000000000000000, -0.0009174000000000 ] - [ 0.0000624300000000, 0.0000000000000000, -0.0009102400000000 ] - [ -0.0001531000000000, 0.0000743500000000, -0.0007721100000000 ] - [ 0.0001483100000000, 0.0000000000000000, -0.0010293400000000 ] - [ -0.0001251100000000, -0.0000698900000000, -0.0008274700000000 ] - [ -0.0000610500000000, 0.0000000000000000, -0.0010234300000000 ] - [ -0.0001531000000000, -0.0000743500000000, -0.0007721100000000 ] - [ 0.0001140400000000, 0.0000000000000000, -0.0008686700000000 ] - [ -0.0001251100000000, 0.0000698900000000, -0.0008274700000000 ] - [ 0.0001971900000000, 0.0000000000000000, -0.0008682600000000 ] - [ 0.0000643900000000, -0.0000279700000000, -0.0006396000000000 ] - [ 0.0000305800000000, 0.0000000000000000, -0.0012007600000000 ] - [ -0.0001232000000000, 0.0000206700000000, -0.0007650700000000 ] - [ -0.0002764900000000, 0.0000000000000000, -0.0018065400000000 ] - [ -0.0003346600000000, 0.0000116400000000, -0.0012292500000000 ] - [ 0.0004052300000000, 0.0000000000000000, -0.0009086000000000 ] - [ -0.0000727100000000, -0.0000121200000000, -0.0008635300000000 ] - [ -0.0002252700000000, 0.0000000000000000, 0.0001529100000000 ] - [ 0.0005686600000000, -0.0040634600000000, 0.0144610800000000 ] - [ 0.0003483200000000, 0.0000000000000000, -0.0015119700000000 ] - [ 0.0011728800000000, 0.0001628100000000, -0.0004153600000000 ] - [ 0.0047300700000000, 0.0000000000000000, 0.0163957600000000 ] - [ -0.0015091300000000, 0.0008084700000000, 0.0017547900000000 ] - [ 0.0011682900000000, 0.0000000000000000, 0.0037784100000000 ] - [ 0.0011728800000000, -0.0001628100000000, -0.0004153600000000 ] - [ -0.0025225000000000, 0.0000000000000000, 0.0048271600000000 ] - [ -0.0010573500000000, 0.0008804600000000, -0.0008900700000000 ] - [ 0.0022641500000000, 0.0000000000000000, 0.0029606400000000 ] - [ 0.0006550300000000, 0.0042457300000000, 0.0145182300000000 ] - [ -0.0002272600000000, 0.0000000000000000, -0.0009425100000000 ] - [ -0.0010573500000000, -0.0008804600000000, -0.0008900700000000 ] - [ 0.0000085300000000, 0.0000000000000000, 0.0000866200000000 ] - [ -0.0013852800000000, -0.0008998700000000, 0.0017698300000000 ] - [ 0.0002719400000000, 0.0000000000000000, -0.0008380300000000 ] - [ -0.0003328300000000, 0.0000000000000000, -0.0018077400000000 ] - [ -0.0002113600000000, 0.0001002800000000, -0.0011906600000000 ] - [ -0.0002113600000000, -0.0001002800000000, -0.0011906600000000 ]- atom: 7 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0002065900000000, 0.0000000000000000, -0.0011230800000000 ] - [ 0.0000565300000000, 0.0000000000000000, -0.0009036200000000 ] - [ -0.0001020700000000, 0.0000000000000000, -0.0008583700000000 ] - [ -0.0001416900000000, 0.0000000000000000, -0.0009457000000000 ] - [ -0.0003820800000000, 0.0000000000000000, -0.0009646800000000 ] - [ 0.0000843200000000, 0.0000000000000000, -0.0011294300000000 ] - [ 0.0083930200000000, 0.0000000000000000, 0.0804891600000000 ] - [ -0.0007285200000000, 0.0000000000000000, 0.0008154500000000 ] - [ 0.0004734000000000, 0.0000000000000000, -0.0006072700000000 ] - [ 0.0092689800000000, 0.0000000000000000, -0.0070231700000000 ] - [ 0.0002633800000000, 0.0000000000000000, -0.0009222400000000 ] - [ -0.0000302200000000, 0.0000000000000000, -0.0008641400000000 ] - [ -0.0000152700000000, 0.0000000000000000, -0.0008795400000000 ] - [ -0.0001236700000000, 0.0000000000000000, -0.0009215800000000 ] - [ 0.0004750200000000, 0.0000000000000000, -0.0005742300000000 ] - [ -0.0000357000000000, 0.0000000000000000, -0.0008664700000000 ] - [ 0.0002228200000000, 0.0000000000000000, 0.0039011100000000 ] - [ 0.0088794200000000, 0.0000000000000000, -0.0069064800000000 ] - [ -0.0004329400000000, 0.0000000000000000, -0.0009854700000000 ] - [ -0.0006163400000000, 0.0000000000000000, 0.0008240400000000 ] - [ -0.0000363000000000, 0.0000000000000000, -0.0013154200000000 ] - [ 0.0001333100000000, 0.0000000000000000, -0.0017853100000000 ] - [ -0.0001077400000000, -0.0002071400000000, -0.0014263700000000 ] - [ -0.0001326900000000, 0.0000000000000000, -0.0013841800000000 ] - [ -0.0001077400000000, 0.0002071400000000, -0.0014263700000000 ] - [ -0.0000622500000000, 0.0001300100000000, -0.0013164000000000 ] - [ -0.0042783500000000, 0.0000000000000000, -0.0073886400000000 ] - [ -0.0004056200000000, 0.0000000000000000, -0.0016066300000000 ] - [ -0.0000818100000000, -0.0001533800000000, -0.0014097400000000 ] - [ -0.0012727100000000, 0.0000000000000000, 0.0014887300000000 ] - [ -0.0001484900000000, 0.0000000000000000, -0.0014368800000000 ] - [ 0.0008821700000000, -0.0005105100000000, -0.0022042800000000 ] - [ -0.0007034100000000, 0.0001304600000000, -0.0008084700000000 ] - [ -0.0001317700000000, 0.0000000000000000, -0.0013300500000000 ] - [ -0.0003432000000000, -0.0051246000000000, 0.0139556000000000 ] - [ 0.0015487100000000, 0.0000000000000000, 0.0003210000000000 ] - [ -0.0003432000000000, 0.0051246000000000, 0.0139556000000000 ] - [ -0.0007001600000000, -0.0001034100000000, -0.0008711000000000 ] - [ 0.0008945500000000, 0.0004533100000000, -0.0022290600000000 ] - [ -0.0012840900000000, 0.0000000000000000, 0.0015273800000000 ] - [ 0.0002207300000000, 0.0000000000000000, -0.0015453400000000 ] - [ -0.0000108800000000, 0.0000000000000000, -0.0012841600000000 ] - [ -0.0000638400000000, -0.0002058100000000, -0.0013233200000000 ] - [ -0.0000938100000000, 0.0000000000000000, -0.0013668000000000 ] - [ -0.0000638400000000, 0.0002058100000000, -0.0013233200000000 ] - [ -0.0000818100000000, 0.0001533800000000, -0.0014097400000000 ] - [ 0.0016396700000000, 0.0000000000000000, 0.0003357300000000 ] - [ 0.0002778300000000, 0.0000000000000000, -0.0012733000000000 ] - [ -0.0000622500000000, -0.0001300100000000, -0.0013164000000000 ] - [ -0.0038872500000000, 0.0000000000000000, -0.0014517500000000 ] - [ -0.0001090900000000, 0.0000000000000000, -0.0014276700000000 ] - [ -0.0007034100000000, -0.0001304600000000, -0.0008084700000000 ] - [ 0.0008821700000000, 0.0005105100000000, -0.0022042800000000 ] - [ 0.0000779100000000, 0.0000000000000000, -0.0015334900000000 ] - [ -0.0003611500000000, -0.0051101200000000, 0.0140743500000000 ] - [ -0.0043314500000000, 0.0000000000000000, -0.0073677300000000 ] - [ -0.0003611500000000, 0.0051101200000000, 0.0140743500000000 ] - [ 0.0008945500000000, -0.0004533100000000, -0.0022290600000000 ] - [ -0.0007001600000000, 0.0001034100000000, -0.0008711000000000 ] - [ -0.0037702300000000, 0.0000000000000000, -0.0014198500000000 ] - [ 0.0000336800000000, 0.0001154000000000, 0.0009586400000000 ] - [ -0.0001444000000000, 0.0000000000000000, 0.0013697000000000 ] - [ 0.0000897200000000, -0.0000969700000000, 0.0008297500000000 ] - [ -0.0000251300000000, 0.0000000000000000, 0.0010087400000000 ] - [ -0.0002128300000000, 0.0000000000000000, 0.0007982600000000 ] - [ 0.0000693800000000, -0.0001062900000000, 0.0008881400000000 ] - [ 0.0001026100000000, 0.0000000000000000, 0.0008852100000000 ] - [ 0.0000585800000000, 0.0000707600000000, 0.0008249900000000 ] - [ -0.0001501300000000, 0.0000000000000000, 0.0013353200000000 ] - [ 0.0000693800000000, 0.0001062900000000, 0.0008881400000000 ] - [ -0.0001992300000000, 0.0000000000000000, 0.0008548800000000 ] - [ 0.0000585800000000, -0.0000707600000000, 0.0008249900000000 ] - [ -0.0001244300000000, 0.0000000000000000, 0.0008779000000000 ] - [ 0.0003134200000000, -0.0001118900000000, 0.0010907900000000 ] - [ -0.0000721100000000, 0.0000000000000000, 0.0011392100000000 ] - [ 0.0000901900000000, 0.0002089700000000, 0.0008964400000000 ] - [ 0.0002534600000000, 0.0000000000000000, -0.0003712100000000 ] - [ -0.0000837100000000, 0.0000941000000000, 0.0005038300000000 ] - [ 0.0001544900000000, 0.0000000000000000, 0.0006948500000000 ] - [ 0.0001408800000000, -0.0002013900000000, 0.0007992800000000 ] - [ -0.0007239400000000, 0.0000000000000000, 0.0032448300000000 ] - [ 0.0014545200000000, 0.0008400300000000, -0.0018240200000000 ] - [ 0.0001215900000000, 0.0000000000000000, 0.0010437300000000 ] - [ 0.0011077500000000, 0.0008726900000000, 0.0009873300000000 ] - [ -0.0021207900000000, 0.0000000000000000, -0.0029556400000000 ] - [ -0.0008229900000000, -0.0037911300000000, -0.0142819200000000 ] - [ 0.0025682700000000, 0.0000000000000000, -0.0048012700000000 ] - [ 0.0011077500000000, -0.0008726900000000, 0.0009873300000000 ] - [ -0.0010970100000000, 0.0000000000000000, -0.0037194500000000 ] - [ -0.0011405600000000, 0.0001816600000000, 0.0005034400000000 ] - [ -0.0046456000000000, 0.0000000000000000, -0.0163782600000000 ] - [ 0.0016094600000000, -0.0007782600000000, -0.0018142900000000 ] - [ -0.0004296600000000, 0.0000000000000000, 0.0015051600000000 ] - [ -0.0011405600000000, -0.0001816600000000, 0.0005034400000000 ] - [ -0.0005169000000000, 0.0000000000000000, 0.0032627400000000 ] - [ -0.0002281900000000, 0.0044322000000000, -0.0148061500000000 ] - [ 0.0002345400000000, 0.0000000000000000, 0.0008324700000000 ] - [ 0.0001970800000000, 0.0000000000000000, -0.0003809300000000 ] - [ -0.0000445400000000, -0.0000069500000000, 0.0006165900000000 ] - [ -0.0000445400000000, 0.0000069500000000, 0.0006165900000000 ] - [ 0.0000897200000000, 0.0000969700000000, 0.0008297500000000 ] - [ -0.0001489800000000, 0.0000000000000000, 0.0013221300000000 ] - [ 0.0000336800000000, -0.0001154000000000, 0.0009586400000000 ] - [ -0.0002236400000000, 0.0000000000000000, 0.0008991300000000 ] - [ -0.0002123600000000, 0.0000000000000000, 0.0008345100000000 ] - [ 0.0000280600000000, -0.0000957800000000, 0.0008605200000000 ] - [ 0.0000021500000000, 0.0000000000000000, 0.0007908400000000 ] - [ 0.0000143800000000, 0.0000670700000000, 0.0008027300000000 ] - [ -0.0002408300000000, 0.0000000000000000, 0.0011821300000000 ] - [ 0.0000280600000000, 0.0000957800000000, 0.0008605200000000 ] - [ -0.0002060500000000, 0.0000000000000000, 0.0008887700000000 ] - [ 0.0000143800000000, -0.0000670700000000, 0.0008027300000000 ] - [ -0.0002560900000000, 0.0000000000000000, 0.0008064800000000 ] - [ -0.0000837100000000, -0.0000941000000000, 0.0005038300000000 ] - [ -0.0000734500000000, 0.0000000000000000, 0.0011031800000000 ] - [ 0.0001408800000000, 0.0002013900000000, 0.0007992800000000 ] - [ 0.0004096600000000, 0.0000000000000000, 0.0018501600000000 ] - [ 0.0003134200000000, 0.0001118900000000, 0.0010907900000000 ] - [ -0.0004377500000000, 0.0000000000000000, 0.0009620000000000 ] - [ 0.0000901900000000, -0.0002089700000000, 0.0008964400000000 ] - [ 0.0000537600000000, 0.0000000000000000, -0.0001134700000000 ] - [ -0.0008229900000000, 0.0037911300000000, -0.0142819200000000 ] - [ -0.0005013700000000, 0.0000000000000000, 0.0013487800000000 ] - [ -0.0010953100000000, -0.0001547500000000, 0.0006274100000000 ] - [ -0.0051857600000000, 0.0000000000000000, -0.0169243300000000 ] - [ 0.0014545200000000, -0.0008400300000000, -0.0018240200000000 ] - [ -0.0011416900000000, 0.0000000000000000, -0.0036990500000000 ] - [ -0.0010953100000000, 0.0001547500000000, 0.0006274100000000 ] - [ 0.0026044500000000, 0.0000000000000000, -0.0048142200000000 ] - [ 0.0011008700000000, -0.0008410200000000, 0.0008851400000000 ] - [ -0.0022172900000000, 0.0000000000000000, -0.0029260000000000 ] - [ -0.0002281900000000, -0.0044322000000000, -0.0148061500000000 ] - [ 0.0001951800000000, 0.0000000000000000, 0.0011902900000000 ] - [ 0.0011008700000000, 0.0008410200000000, 0.0008851400000000 ] - [ 0.0003171000000000, 0.0000000000000000, -0.0001690300000000 ] - [ 0.0016094600000000, 0.0007782600000000, -0.0018142900000000 ] - [ -0.0002926200000000, 0.0000000000000000, 0.0010599600000000 ] - [ 0.0003612100000000, 0.0000000000000000, 0.0017691300000000 ] - [ 0.0003098600000000, -0.0000492000000000, 0.0012513800000000 ] - [ 0.0003098600000000, 0.0000492000000000, 0.0012513800000000 ]- atom: 8 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0001225900000000, 0.0000000000000000, -0.0000314500000000 ] - [ -0.0001069800000000, 0.0000000000000000, 0.0000326300000000 ] - [ -0.0002611600000000, 0.0000000000000000, -0.0000283600000000 ] - [ -0.0000966100000000, 0.0000000000000000, 0.0000445400000000 ] - [ 0.0029571300000000, 0.0000000000000000, -0.0094553700000000 ] - [ 0.0005187600000000, 0.0000000000000000, -0.0005088000000000 ] - [ 0.0013037500000000, 0.0000000000000000, 0.0005693900000000 ] - [ -0.0810281000000000, 0.0000000000000000, -0.0069739500000000 ] - [ -0.0002338400000000, 0.0000000000000000, -0.0000517800000000 ] - [ -0.0010353400000000, 0.0000000000000000, 0.0005846000000000 ] - [ -0.0000475500000000, 0.0000000000000000, -0.0000420200000000 ] - [ -0.0000480600000000, 0.0000000000000000, 0.0000027700000000 ] - [ 0.0001664600000000, 0.0000000000000000, 0.0000318900000000 ] - [ -0.0001088300000000, 0.0000000000000000, 0.0001271800000000 ] - [ 0.0012717600000000, 0.0000000000000000, 0.0005426600000000 ] - [ -0.0011195200000000, 0.0000000000000000, 0.0006003400000000 ] - [ 0.0029494100000000, 0.0000000000000000, -0.0094622300000000 ] - [ 0.0023474200000000, 0.0000000000000000, -0.0007772900000000 ] - [ 0.0002161900000000, 0.0000000000000000, 0.0000007300000000 ] - [ 0.0006066500000000, 0.0000000000000000, -0.0005305900000000 ] - [ 0.0001082600000000, 0.0000000000000000, -0.0000014700000000 ] - [ 0.0000731000000000, 0.0000000000000000, 0.0001488100000000 ] - [ 0.0000239400000000, -0.0001449700000000, 0.0000461100000000 ] - [ -0.0002676200000000, 0.0000000000000000, 0.0001104100000000 ] - [ 0.0000239400000000, 0.0001449700000000, 0.0000461100000000 ] - [ -0.0002111400000000, 0.0000597000000000, 0.0003269000000000 ] - [ 0.0035453700000000, 0.0000000000000000, 0.0002293200000000 ] - [ -0.0000137300000000, 0.0000000000000000, -0.0016954200000000 ] - [ 0.0000736200000000, -0.0001811400000000, -0.0001863500000000 ] - [ 0.0036036200000000, 0.0000000000000000, 0.0000922200000000 ] - [ -0.0001271300000000, 0.0000000000000000, 0.0000244900000000 ] - [ 0.0031669100000000, 0.0005717700000000, -0.0009406600000000 ] - [ -0.0095830200000000, -0.0071994700000000, 0.0071049300000000 ] - [ -0.0005240000000000, 0.0000000000000000, 0.0001457300000000 ] - [ -0.0094160700000000, 0.0071889100000000, 0.0070662900000000 ] - [ -0.0004970900000000, 0.0000000000000000, 0.0001082300000000 ] - [ -0.0094160700000000, -0.0071889100000000, 0.0070662900000000 ] - [ 0.0001333400000000, 0.0001102800000000, -0.0002073100000000 ] - [ -0.0001542200000000, 0.0000313300000000, 0.0002876200000000 ] - [ 0.0000629100000000, 0.0000000000000000, -0.0017113500000000 ] - [ 0.0000111500000000, 0.0000000000000000, 0.0000883400000000 ] - [ 0.0000775800000000, 0.0000000000000000, -0.0000154400000000 ] - [ 0.0000159400000000, -0.0001513200000000, 0.0000421800000000 ] - [ -0.0000207600000000, 0.0000000000000000, 0.0001344000000000 ] - [ 0.0000159400000000, 0.0001513200000000, 0.0000421800000000 ] - [ 0.0000736200000000, 0.0001811400000000, -0.0001863500000000 ] - [ 0.0121291200000000, 0.0000000000000000, -0.0000678100000000 ] - [ 0.0017716000000000, 0.0000000000000000, 0.0018510500000000 ] - [ -0.0002111400000000, -0.0000597000000000, 0.0003269000000000 ] - [ 0.0120811100000000, 0.0000000000000000, -0.0001925900000000 ] - [ -0.0002110800000000, 0.0000000000000000, 0.0001078500000000 ] - [ -0.0095830200000000, 0.0071994700000000, 0.0071049300000000 ] - [ 0.0031669100000000, -0.0005717700000000, -0.0009406600000000 ] - [ 0.0006009000000000, 0.0000000000000000, 0.0001242200000000 ] - [ 0.0032796000000000, 0.0006125800000000, -0.0009552900000000 ] - [ 0.0006193400000000, 0.0000000000000000, 0.0000859000000000 ] - [ 0.0032796000000000, -0.0006125800000000, -0.0009552900000000 ] - [ -0.0001542200000000, -0.0000313300000000, 0.0002876200000000 ] - [ 0.0001333400000000, -0.0001102800000000, -0.0002073100000000 ] - [ 0.0018595000000000, 0.0000000000000000, 0.0017961900000000 ] - [ -0.0000177700000000, 0.0001321800000000, -0.0000626500000000 ] - [ -0.0000830000000000, 0.0000000000000000, 0.0001037000000000 ] - [ -0.0000399800000000, -0.0001406900000000, -0.0000192900000000 ] - [ -0.0000573800000000, 0.0000000000000000, -0.0000604300000000 ] - [ -0.0000912700000000, 0.0000000000000000, -0.0000794800000000 ] - [ 0.0000124600000000, -0.0000377800000000, 0.0000827700000000 ] - [ 0.0000561300000000, 0.0000000000000000, -0.0001628600000000 ] - [ -0.0000714700000000, -0.0000045800000000, -0.0000298600000000 ] - [ -0.0001053600000000, 0.0000000000000000, 0.0005768000000000 ] - [ 0.0000124600000000, 0.0000377800000000, 0.0000827700000000 ] - [ 0.0000550900000000, 0.0000000000000000, -0.0000896200000000 ] - [ -0.0000714700000000, 0.0000045800000000, -0.0000298600000000 ] - [ 0.0001500900000000, 0.0000000000000000, 0.0001195300000000 ] - [ -0.0004992100000000, -0.0001773600000000, 0.0010934000000000 ] - [ -0.0000670300000000, 0.0000000000000000, -0.0000434700000000 ] - [ -0.0002546200000000, 0.0000829800000000, 0.0001066500000000 ] - [ 0.0021061200000000, 0.0000000000000000, -0.0022992600000000 ] - [ -0.0007605000000000, 0.0008535600000000, -0.0022553200000000 ] - [ 0.0019697800000000, 0.0000000000000000, 0.0017044400000000 ] - [ 0.0003609200000000, -0.0000862100000000, -0.0000341900000000 ] - [ -0.0028644300000000, 0.0000000000000000, 0.0007738200000000 ] - [ 0.0124543500000000, -0.0034868300000000, -0.0014965700000000 ] - [ 0.0028599200000000, 0.0000000000000000, -0.0000460000000000 ] - [ 0.0122797600000000, 0.0029907200000000, -0.0009707400000000 ] - [ 0.0030481500000000, 0.0000000000000000, 0.0000075400000000 ] - [ -0.0032108000000000, -0.0011870900000000, -0.0005042500000000 ] - [ 0.0170474800000000, 0.0000000000000000, 0.0026030900000000 ] - [ 0.0122797600000000, -0.0029907200000000, -0.0009707400000000 ] - [ 0.0020368300000000, 0.0000000000000000, 0.0016791700000000 ] - [ 0.0003753900000000, 0.0000399300000000, -0.0000506800000000 ] - [ 0.0020661500000000, 0.0000000000000000, -0.0022763500000000 ] - [ -0.0003761300000000, 0.0001748000000000, 0.0011404000000000 ] - [ 0.0000541900000000, 0.0000000000000000, 0.0000182900000000 ] - [ 0.0003753900000000, -0.0000399300000000, -0.0000506800000000 ] - [ 0.0000303800000000, 0.0000000000000000, -0.0005058300000000 ] - [ -0.0006442200000000, -0.0008461100000000, -0.0022009800000000 ] - [ -0.0000787200000000, 0.0000000000000000, 0.0001626900000000 ] - [ 0.0000719000000000, 0.0000000000000000, 0.0004798300000000 ] - [ 0.0001237000000000, 0.0000490300000000, 0.0000725600000000 ] - [ 0.0001237000000000, -0.0000490300000000, 0.0000725600000000 ] - [ -0.0000399800000000, 0.0001406900000000, -0.0000192900000000 ] - [ -0.0001167400000000, 0.0000000000000000, 0.0000811500000000 ] - [ -0.0000177700000000, -0.0001321800000000, -0.0000626500000000 ] - [ 0.0000094300000000, 0.0000000000000000, -0.0000445200000000 ] - [ -0.0000454400000000, 0.0000000000000000, -0.0000739800000000 ] - [ -0.0001583000000000, 0.0000125300000000, -0.0000796000000000 ] - [ 0.0000940700000000, 0.0000000000000000, -0.0001530200000000 ] - [ -0.0000487400000000, -0.0000064300000000, -0.0000644400000000 ] - [ -0.0002785600000000, 0.0000000000000000, -0.0005206800000000 ] - [ -0.0001583000000000, -0.0000125300000000, -0.0000796000000000 ] - [ -0.0001341400000000, 0.0000000000000000, 0.0000638500000000 ] - [ -0.0000487400000000, 0.0000064300000000, -0.0000644400000000 ] - [ -0.0001658500000000, 0.0000000000000000, -0.0004985000000000 ] - [ -0.0007605000000000, -0.0008535600000000, -0.0022553200000000 ] - [ 0.0000510200000000, 0.0000000000000000, -0.0001584700000000 ] - [ 0.0003609200000000, 0.0000862100000000, -0.0000341900000000 ] - [ -0.0035759600000000, 0.0000000000000000, 0.0025043000000000 ] - [ -0.0004992100000000, 0.0001773600000000, 0.0010934000000000 ] - [ -0.0015844300000000, 0.0000000000000000, 0.0004064900000000 ] - [ -0.0002546200000000, -0.0000829800000000, 0.0001066500000000 ] - [ 0.0171603100000000, 0.0000000000000000, 0.0028258800000000 ] - [ -0.0032108000000000, 0.0011870900000000, -0.0005042500000000 ] - [ -0.0011157800000000, 0.0000000000000000, -0.0002033500000000 ] - [ -0.0031390100000000, -0.0011764500000000, -0.0003730200000000 ] - [ -0.0009086700000000, 0.0000000000000000, -0.0001530900000000 ] - [ 0.0124543500000000, 0.0034868300000000, -0.0014965700000000 ] - [ -0.0027616600000000, 0.0000000000000000, 0.0007954800000000 ] - [ -0.0031390100000000, 0.0011764500000000, -0.0003730200000000 ] - [ -0.0015343800000000, 0.0000000000000000, 0.0003986400000000 ] - [ -0.0002473700000000, 0.0000373000000000, 0.0000897700000000 ] - [ -0.0036430600000000, 0.0000000000000000, 0.0025178100000000 ] - [ -0.0006442200000000, 0.0008461100000000, -0.0022009800000000 ] - [ -0.0000690700000000, 0.0000000000000000, 0.0001348300000000 ] - [ -0.0002473700000000, -0.0000373000000000, 0.0000897700000000 ] - [ 0.0003401500000000, 0.0000000000000000, 0.0001080100000000 ] - [ -0.0003761300000000, -0.0001748000000000, 0.0011404000000000 ] - [ 0.0000677600000000, 0.0000000000000000, 0.0000152000000000 ] - [ -0.0001139500000000, 0.0000000000000000, -0.0005980400000000 ] - [ -0.0000355700000000, 0.0000101500000000, -0.0001041700000000 ] - [ -0.0000355700000000, -0.0000101500000000, -0.0001041700000000 ]- atom: 8 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0000582700000000, 0.0000000000000000, -0.0001215100000000 ] - [ -0.0000447000000000, 0.0000000000000000, -0.0000666600000000 ] - [ 0.0001439000000000, 0.0000000000000000, 0.0000101900000000 ] - [ -0.0001010200000000, 0.0000000000000000, 0.0000435500000000 ] - [ -0.0029583200000000, 0.0000000000000000, 0.0095068900000000 ] - [ -0.0004459100000000, 0.0000000000000000, 0.0005028500000000 ] - [ -0.0012577800000000, 0.0000000000000000, -0.0005361400000000 ] - [ 0.0810186700000000, 0.0000000000000000, 0.0069059300000000 ] - [ 0.0001884300000000, 0.0000000000000000, -0.0000223200000000 ] - [ 0.0012819200000000, 0.0000000000000000, -0.0006275300000000 ] - [ 0.0001118400000000, 0.0000000000000000, -0.0001108900000000 ] - [ -0.0001035600000000, 0.0000000000000000, -0.0000370000000000 ] - [ -0.0002834900000000, 0.0000000000000000, -0.0000492100000000 ] - [ -0.0000888500000000, 0.0000000000000000, -0.0000391000000000 ] - [ -0.0012870600000000, 0.0000000000000000, -0.0005675100000000 ] - [ 0.0011878100000000, 0.0000000000000000, -0.0006076600000000 ] - [ -0.0029187300000000, 0.0000000000000000, 0.0094199000000000 ] - [ -0.0023437300000000, 0.0000000000000000, 0.0007170400000000 ] - [ -0.0002611600000000, 0.0000000000000000, -0.0000756300000000 ] - [ -0.0003640200000000, 0.0000000000000000, 0.0004862800000000 ] - [ 0.0000105600000000, 0.0000000000000000, -0.0000302400000000 ] - [ 0.0000902800000000, 0.0000000000000000, -0.0001515900000000 ] - [ 0.0000111200000000, -0.0001565300000000, -0.0000724700000000 ] - [ -0.0000441700000000, 0.0000000000000000, 0.0000124900000000 ] - [ 0.0000111200000000, 0.0001565300000000, -0.0000724700000000 ] - [ 0.0001409600000000, 0.0001201300000000, -0.0003466200000000 ] - [ -0.0035118300000000, 0.0000000000000000, -0.0001487200000000 ] - [ -0.0000704600000000, 0.0000000000000000, 0.0017392900000000 ] - [ -0.0001419300000000, 0.0000005800000000, 0.0001671900000000 ] - [ -0.0035331100000000, 0.0000000000000000, -0.0002548400000000 ] - [ -0.0002116100000000, 0.0000000000000000, -0.0000146600000000 ] - [ -0.0031207900000000, -0.0006685700000000, 0.0009298600000000 ] - [ 0.0095734600000000, 0.0072845000000000, -0.0071396200000000 ] - [ 0.0003993600000000, 0.0000000000000000, -0.0000845000000000 ] - [ 0.0097441600000000, -0.0072120200000000, -0.0070907700000000 ] - [ 0.0004165100000000, 0.0000000000000000, -0.0001201300000000 ] - [ 0.0097441600000000, 0.0072120200000000, -0.0070907700000000 ] - [ -0.0000846500000000, -0.0000871400000000, 0.0001253600000000 ] - [ 0.0002034100000000, -0.0000542900000000, -0.0003703000000000 ] - [ 0.0000264500000000, 0.0000000000000000, 0.0016962000000000 ] - [ 0.0001076400000000, 0.0000000000000000, -0.0001197300000000 ] - [ 0.0000857300000000, 0.0000000000000000, 0.0000123300000000 ] - [ 0.0000193500000000, -0.0001500500000000, -0.0000684200000000 ] - [ -0.0002908300000000, 0.0000000000000000, -0.0000115100000000 ] - [ 0.0000193500000000, 0.0001500500000000, -0.0000684200000000 ] - [ -0.0001419300000000, -0.0000005800000000, 0.0001671900000000 ] - [ -0.0120345600000000, 0.0000000000000000, 0.0001697800000000 ] - [ -0.0018657000000000, 0.0000000000000000, -0.0017991400000000 ] - [ 0.0001409600000000, -0.0001201300000000, -0.0003466200000000 ] - [ -0.0120690400000000, 0.0000000000000000, 0.0000080100000000 ] - [ -0.0001275200000000, 0.0000000000000000, -0.0000984400000000 ] - [ 0.0095734600000000, -0.0072845000000000, -0.0071396200000000 ] - [ -0.0031207900000000, 0.0006685700000000, 0.0009298600000000 ] - [ -0.0007256400000000, 0.0000000000000000, -0.0000598700000000 ] - [ -0.0030079400000000, -0.0006268300000000, 0.0009069200000000 ] - [ -0.0006995300000000, 0.0000000000000000, -0.0001008000000000 ] - [ -0.0030079400000000, 0.0006268300000000, 0.0009069200000000 ] - [ 0.0002034100000000, 0.0000542900000000, -0.0003703000000000 ] - [ -0.0000846500000000, 0.0000871400000000, 0.0001253600000000 ] - [ -0.0017604600000000, 0.0000000000000000, -0.0018194900000000 ] - [ -0.0000337700000000, 0.0001383500000000, 0.0000536500000000 ] - [ -0.0001179000000000, 0.0000000000000000, 0.0001832500000000 ] - [ -0.0000114000000000, -0.0001300300000000, 0.0000101800000000 ] - [ 0.0000012100000000, 0.0000000000000000, 0.0000395700000000 ] - [ -0.0000581200000000, 0.0000000000000000, 0.0000024100000000 ] - [ -0.0001372100000000, 0.0000144400000000, 0.0000064200000000 ] - [ 0.0000913700000000, 0.0000000000000000, -0.0000740200000000 ] - [ -0.0000432600000000, 0.0000013900000000, 0.0000050700000000 ] - [ -0.0001988400000000, 0.0000000000000000, -0.0004191100000000 ] - [ -0.0001372100000000, -0.0000144400000000, 0.0000064200000000 ] - [ -0.0001465400000000, 0.0000000000000000, 0.0001101700000000 ] - [ -0.0000432600000000, -0.0000013900000000, 0.0000050700000000 ] - [ -0.0002089100000000, 0.0000000000000000, -0.0001806400000000 ] - [ 0.0004734100000000, 0.0000543400000000, -0.0012278300000000 ] - [ 0.0000246200000000, 0.0000000000000000, -0.0000554300000000 ] - [ 0.0002709800000000, 0.0001351100000000, -0.0000738500000000 ] - [ -0.0019698400000000, 0.0000000000000000, 0.0023286700000000 ] - [ 0.0007423400000000, -0.0007269300000000, 0.0021181400000000 ] - [ -0.0020014600000000, 0.0000000000000000, -0.0016461100000000 ] - [ -0.0003431700000000, -0.0001320400000000, 0.0000685900000000 ] - [ 0.0026800900000000, 0.0000000000000000, -0.0007371500000000 ] - [ -0.0124265100000000, 0.0033531700000000, 0.0012839400000000 ] - [ -0.0030081700000000, 0.0000000000000000, -0.0001124900000000 ] - [ -0.0122877400000000, -0.0031424300000000, 0.0013138100000000 ] - [ -0.0027961800000000, 0.0000000000000000, -0.0000681900000000 ] - [ 0.0031550900000000, 0.0011662400000000, 0.0004408200000000 ] - [ -0.0180811500000000, 0.0000000000000000, -0.0033284800000000 ] - [ -0.0122877400000000, 0.0031424300000000, 0.0013138100000000 ] - [ -0.0019535100000000, 0.0000000000000000, -0.0016637200000000 ] - [ -0.0003383600000000, -0.0000087700000000, 0.0000513800000000 ] - [ -0.0020223500000000, 0.0000000000000000, 0.0023119000000000 ] - [ 0.0006056400000000, -0.0000603500000000, -0.0011838400000000 ] - [ -0.0000916800000000, 0.0000000000000000, 0.0002316200000000 ] - [ -0.0003383600000000, 0.0000087700000000, 0.0000513800000000 ] - [ 0.0002924700000000, 0.0000000000000000, 0.0004256400000000 ] - [ 0.0008658400000000, 0.0007351600000000, 0.0021599400000000 ] - [ 0.0000577600000000, 0.0000000000000000, 0.0000620600000000 ] - [ -0.0000314100000000, 0.0000000000000000, -0.0004981700000000 ] - [ -0.0000229100000000, 0.0000010800000000, -0.0000153800000000 ] - [ -0.0000229100000000, -0.0000010800000000, -0.0000153800000000 ] - [ -0.0000114000000000, 0.0001300300000000, 0.0000101800000000 ] - [ -0.0000840300000000, 0.0000000000000000, 0.0002056900000000 ] - [ -0.0000337700000000, -0.0001383500000000, 0.0000536500000000 ] - [ -0.0000655600000000, 0.0000000000000000, 0.0000235800000000 ] - [ -0.0001040300000000, 0.0000000000000000, -0.0000029500000000 ] - [ 0.0000338200000000, -0.0000355400000000, 0.0001685400000000 ] - [ 0.0000535400000000, 0.0000000000000000, -0.0000839400000000 ] - [ -0.0000655700000000, 0.0000035200000000, 0.0000394600000000 ] - [ -0.0000240900000000, 0.0000000000000000, 0.0006770000000000 ] - [ 0.0000338200000000, 0.0000355400000000, 0.0001685400000000 ] - [ 0.0000424500000000, 0.0000000000000000, -0.0000433900000000 ] - [ -0.0000655700000000, -0.0000035200000000, 0.0000394600000000 ] - [ 0.0001082100000000, 0.0000000000000000, 0.0004364700000000 ] - [ 0.0007423400000000, 0.0007269300000000, 0.0021181400000000 ] - [ -0.0000934200000000, 0.0000000000000000, 0.0000598800000000 ] - [ -0.0003431700000000, 0.0001320400000000, 0.0000685900000000 ] - [ 0.0037294700000000, 0.0000000000000000, -0.0025016600000000 ] - [ 0.0004734100000000, -0.0000543400000000, -0.0012278300000000 ] - [ 0.0015510900000000, 0.0000000000000000, -0.0003605400000000 ] - [ 0.0002709800000000, -0.0001351100000000, -0.0000738500000000 ] - [ -0.0163022700000000, 0.0000000000000000, -0.0020084900000000 ] - [ 0.0031550900000000, -0.0011662400000000, 0.0004408200000000 ] - [ 0.0009586000000000, 0.0000000000000000, 0.0000445200000000 ] - [ 0.0032147100000000, 0.0011712800000000, 0.0005736100000000 ] - [ 0.0011696800000000, 0.0000000000000000, 0.0000931000000000 ] - [ -0.0124265100000000, -0.0033531700000000, 0.0012839400000000 ] - [ 0.0028010300000000, 0.0000000000000000, -0.0007131300000000 ] - [ 0.0032147100000000, -0.0011712800000000, 0.0005736100000000 ] - [ 0.0016183600000000, 0.0000000000000000, -0.0003710100000000 ] - [ 0.0002859500000000, -0.0000062500000000, -0.0000874800000000 ] - [ 0.0036690500000000, 0.0000000000000000, -0.0024558900000000 ] - [ 0.0008658400000000, -0.0007351600000000, 0.0021599400000000 ] - [ 0.0000320100000000, 0.0000000000000000, 0.0001154800000000 ] - [ 0.0002859500000000, 0.0000062500000000, -0.0000874800000000 ] - [ -0.0000160500000000, 0.0000000000000000, -0.0001889100000000 ] - [ 0.0006056400000000, 0.0000603500000000, -0.0011838400000000 ] - [ -0.0000893300000000, 0.0000000000000000, 0.0002094200000000 ] - [ 0.0001531300000000, 0.0000000000000000, 0.0005812800000000 ] - [ 0.0001363000000000, 0.0000399700000000, 0.0001616300000000 ] - [ 0.0001363000000000, -0.0000399700000000, 0.0001616300000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000318900000000, 0.0000009000000000, -0.0000758400000000 ] - [ -0.0000750000000000, -0.0000023500000000, -0.0000168800000000 ] - [ -0.0000602300000000, -0.0000334000000000, -0.0000086900000000 ] - [ -0.0000988500000000, -0.0000042000000000, 0.0000431600000000 ] - [ 0.0000006900000000, -0.0066622200000000, -0.0000307500000000 ] - [ 0.0000353100000000, -0.0003807900000000, -0.0000041800000000 ] - [ 0.0000150400000000, -0.0002096500000000, 0.0000162900000000 ] - [ -0.0000197600000000, -0.0786050600000000, -0.0000415500000000 ] - [ -0.0000218100000000, -0.0000336400000000, -0.0000371200000000 ] - [ 0.0001217000000000, -0.0000921100000000, -0.0000219100000000 ] - [ 0.0000319200000000, -0.0000000600000000, -0.0000758500000000 ] - [ -0.0000749800000000, -0.0000016300000000, -0.0000167600000000 ] - [ -0.0000593900000000, -0.0000323700000000, -0.0000092000000000 ] - [ -0.0000986500000000, -0.0000048100000000, 0.0000431000000000 ] - [ 0.0000006300000000, -0.0002078700000000, -0.0000121600000000 ] - [ 0.0000358200000000, -0.0000923900000000, -0.0000029900000000 ] - [ 0.0000145800000000, -0.0066492900000000, 0.0000344300000000 ] - [ 0.0000021100000000, -0.0001726200000000, -0.0000302600000000 ] - [ -0.0000224400000000, -0.0000326300000000, -0.0000369900000000 ] - [ 0.0001223200000000, -0.0003831700000000, -0.0000208500000000 ] - [ 0.0000639300000000, 0.0000016000000000, -0.0000152700000000 ] - [ 0.0000789500000000, -0.0000076700000000, 0.0000002700000000 ] - [ 0.0000163000000000, -0.0001525800000000, -0.0000125300000000 ] - [ -0.0001549200000000, 0.0000077500000000, 0.0000621600000000 ] - [ 0.0000132600000000, 0.0001514800000000, -0.0000128600000000 ] - [ -0.0000009600000000, 0.0000921900000000, 0.0000143800000000 ] - [ -0.0000578300000000, 0.0181988000000000, 0.0000661700000000 ] - [ -0.0000437200000000, 0.0013686200000000, 0.0000249400000000 ] - [ -0.0000653800000000, -0.0000909500000000, -0.0000504100000000 ] - [ 0.0001085500000000, 0.0181541200000000, -0.0001078900000000 ] - [ -0.0001729300000000, 0.0000014900000000, 0.0000043200000000 ] - [ 0.0007919400000000, -0.0000342500000000, 0.0001515400000000 ] - [ -0.0072845300000000, 0.0026053400000000, -0.0114800800000000 ] - [ -0.0000656900000000, 0.0001748200000000, 0.0000305200000000 ] - [ 0.0074031000000000, 0.0025121500000000, 0.0114069400000000 ] - [ -0.0000357800000000, 0.0001732500000000, -0.0000067100000000 ] - [ -0.0071551500000000, 0.0024998200000000, -0.0115244100000000 ] - [ 0.0000545900000000, 0.0000106900000000, -0.0000001400000000 ] - [ -0.0000091700000000, -0.0000090800000000, -0.0000651100000000 ] - [ 0.0000446400000000, 0.0013525600000000, -0.0000121300000000 ] - [ 0.0000641800000000, 0.0000027400000000, -0.0000152400000000 ] - [ 0.0000790700000000, -0.0000060700000000, -0.0000000700000000 ] - [ 0.0000166200000000, -0.0001525400000000, -0.0000124800000000 ] - [ -0.0001543400000000, 0.0000095900000000, 0.0000612900000000 ] - [ 0.0000134900000000, 0.0001513100000000, -0.0000129000000000 ] - [ -0.0000025900000000, 0.0000913300000000, 0.0000316000000000 ] - [ -0.0000126700000000, -0.0005977700000000, 0.0000228600000000 ] - [ -0.0000413000000000, 0.0001316000000000, 0.0000265000000000 ] - [ -0.0000667400000000, -0.0000892300000000, -0.0000336300000000 ] - [ 0.0000649800000000, -0.0005794700000000, -0.0000641900000000 ] - [ -0.0001726900000000, 0.0000027900000000, 0.0000041000000000 ] - [ 0.0073553900000000, 0.0024832100000000, 0.0115373000000000 ] - [ -0.0007473300000000, 0.0000471100000000, -0.0001757100000000 ] - [ -0.0000645300000000, 0.0000914800000000, 0.0000293200000000 ] - [ 0.0009019700000000, -0.0000073300000000, 0.0001485400000000 ] - [ -0.0000368200000000, 0.0000894600000000, -0.0000050500000000 ] - [ -0.0006288400000000, 0.0000223900000000, -0.0001830300000000 ] - [ 0.0000554900000000, 0.0000117800000000, -0.0000181400000000 ] - [ -0.0000074300000000, -0.0000103500000000, -0.0000813500000000 ] - [ 0.0000428400000000, 0.0001329500000000, -0.0000130400000000 ] - [ -0.0000247300000000, 0.0001297500000000, -0.0000013300000000 ] - [ -0.0001039400000000, -0.0000010700000000, 0.0001393400000000 ] - [ -0.0000252400000000, -0.0001312900000000, 0.0000009900000000 ] - [ -0.0000339500000000, 0.0000000100000000, -0.0000054300000000 ] - [ -0.0000734400000000, -0.0000002600000000, -0.0000368600000000 ] - [ -0.0000658700000000, -0.0000104900000000, 0.0000526100000000 ] - [ 0.0000778600000000, -0.0000014600000000, -0.0001169000000000 ] - [ -0.0000534800000000, -0.0000038900000000, -0.0000107300000000 ] - [ -0.0001505800000000, -0.0000445500000000, 0.0000800200000000 ] - [ -0.0000618000000000, 0.0000075800000000, 0.0000349300000000 ] - [ -0.0000447400000000, -0.0000140100000000, 0.0000095600000000 ] - [ -0.0000533000000000, 0.0000024300000000, -0.0000135900000000 ] - [ -0.0000287500000000, 0.0000443400000000, -0.0000311600000000 ] - [ -0.0009475100000000, -0.0000125700000000, 0.0010118300000000 ] - [ -0.0000218100000000, 0.0000089000000000, -0.0000471000000000 ] - [ -0.0000402500000000, 0.0001120400000000, 0.0001072300000000 ] - [ 0.0000544000000000, -0.0038128900000000, 0.0000025400000000 ] - [ -0.0000871500000000, 0.0001142000000000, -0.0003676200000000 ] - [ -0.0000091300000000, -0.0023094700000000, 0.0000248300000000 ] - [ -0.0000440800000000, -0.0000843500000000, -0.0000860600000000 ] - [ -0.0000873900000000, -0.0012697300000000, 0.0000148700000000 ] - [ -0.0030559300000000, 0.0088567600000000, 0.0020023700000000 ] - [ -0.0000827200000000, 0.0023796700000000, -0.0000852300000000 ] - [ 0.0027326100000000, 0.0083166400000000, -0.0015079600000000 ] - [ 0.0001338400000000, 0.0023641700000000, -0.0000253400000000 ] - [ 0.0000685200000000, 0.0001046300000000, -0.0000357100000000 ] - [ 0.0000704700000000, 0.0079136100000000, 0.0000804300000000 ] - [ -0.0030012900000000, 0.0088922700000000, 0.0022212900000000 ] - [ 0.0000321200000000, -0.0023127600000000, 0.0000110600000000 ] - [ -0.0000330300000000, 0.0000459300000000, -0.0001023100000000 ] - [ 0.0000343800000000, -0.0038203100000000, 0.0000278700000000 ] - [ 0.0010559100000000, 0.0001086800000000, -0.0011040400000000 ] - [ -0.0000154200000000, 0.0000144200000000, 0.0001260200000000 ] - [ 0.0000717000000000, 0.0000064700000000, 0.0000993700000000 ] - [ 0.0001618200000000, 0.0000288900000000, -0.0000411800000000 ] - [ 0.0001901500000000, -0.0000083800000000, 0.0002784600000000 ] - [ -0.0000101200000000, -0.0000082100000000, 0.0001132800000000 ] - [ 0.0000161700000000, -0.0000444900000000, -0.0000128400000000 ] - [ 0.0000512900000000, 0.0000290100000000, 0.0000237800000000 ] - [ 0.0000458100000000, -0.0000276800000000, 0.0000386900000000 ] - [ -0.0000243700000000, 0.0001294900000000, -0.0000009300000000 ] - [ -0.0001039100000000, -0.0000014200000000, 0.0001394400000000 ] - [ -0.0000248100000000, -0.0001307600000000, 0.0000018200000000 ] - [ -0.0000339500000000, -0.0000004300000000, -0.0000054400000000 ] - [ -0.0000733800000000, 0.0000000900000000, -0.0000371500000000 ] - [ -0.0000671300000000, -0.0000102400000000, 0.0000530100000000 ] - [ 0.0000779500000000, -0.0000010800000000, -0.0001168200000000 ] - [ -0.0000529000000000, -0.0000035600000000, -0.0000101400000000 ] - [ -0.0001511400000000, -0.0000218800000000, 0.0000795200000000 ] - [ -0.0000607300000000, 0.0000077800000000, 0.0000343000000000 ] - [ -0.0000447900000000, -0.0000090800000000, 0.0000096300000000 ] - [ -0.0000536600000000, 0.0000024800000000, -0.0000143800000000 ] - [ -0.0000293300000000, 0.0000277500000000, -0.0000305000000000 ] - [ 0.0000613300000000, 0.0000035000000000, 0.0002266900000000 ] - [ -0.0000216000000000, 0.0000163700000000, -0.0000474300000000 ] - [ 0.0000619600000000, 0.0001362400000000, 0.0001197800000000 ] - [ 0.0000656600000000, 0.0012047300000000, 0.0000196800000000 ] - [ 0.0009248100000000, 0.0001007100000000, -0.0011496000000000 ] - [ -0.0000155600000000, 0.0000869300000000, 0.0000261300000000 ] - [ 0.0000576100000000, -0.0001099400000000, -0.0000730900000000 ] - [ -0.0001403100000000, 0.0079543900000000, -0.0000201900000000 ] - [ -0.0001274200000000, 0.0001457800000000, -0.0000377500000000 ] - [ -0.0000790600000000, -0.0000712300000000, -0.0000807800000000 ] - [ 0.0001361400000000, 0.0001297800000000, 0.0001059500000000 ] - [ 0.0001315100000000, -0.0000713100000000, -0.0000288400000000 ] - [ 0.0033554200000000, 0.0094241800000000, -0.0025995000000000 ] - [ 0.0000156500000000, -0.0012786200000000, 0.0000426800000000 ] - [ -0.0000576500000000, 0.0001163600000000, 0.0001009700000000 ] - [ 0.0000388900000000, 0.0000858800000000, 0.0000092600000000 ] - [ 0.0000677800000000, 0.0000226800000000, -0.0000910400000000 ] - [ 0.0000245700000000, 0.0012070500000000, 0.0000114500000000 ] - [ 0.0000399200000000, 0.0001248700000000, -0.0003177100000000 ] - [ -0.0000152800000000, 0.0000080800000000, 0.0001260100000000 ] - [ -0.0000295500000000, -0.0000178200000000, 0.0000866500000000 ] - [ 0.0001611700000000, 0.0000461500000000, -0.0000412300000000 ] - [ -0.0008279400000000, -0.0000191000000000, 0.0010612100000000 ] - [ -0.0000102500000000, -0.0000132000000000, 0.0001134900000000 ] - [ 0.0000166100000000, -0.0000221800000000, -0.0000125000000000 ] - [ 0.0000522700000000, 0.0000294600000000, 0.0000231400000000 ] - [ 0.0000451900000000, -0.0000272200000000, 0.0000388700000000 ]- atom: 8 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0000268300000000, 0.0000000000000000, 0.0009454700000000 ] - [ -0.0001801900000000, 0.0000000000000000, 0.0009981800000000 ] - [ -0.0002150800000000, 0.0000000000000000, 0.0011341900000000 ] - [ -0.0001051600000000, 0.0000000000000000, 0.0011870900000000 ] - [ -0.0085140700000000, 0.0000000000000000, 0.0068597400000000 ] - [ -0.0003982200000000, 0.0000000000000000, 0.0007690800000000 ] - [ 0.0008608500000000, 0.0000000000000000, -0.0008391500000000 ] - [ -0.0182397400000000, 0.0000000000000000, -0.1241469900000000 ] - [ -0.0001722700000000, 0.0000000000000000, 0.0011197500000000 ] - [ 0.0005513100000000, 0.0000000000000000, 0.0013735800000000 ] - [ -0.0000205000000000, 0.0000000000000000, 0.0010283900000000 ] - [ -0.0001798900000000, 0.0000000000000000, 0.0009731200000000 ] - [ 0.0000297200000000, 0.0000000000000000, 0.0008512200000000 ] - [ -0.0000231700000000, 0.0000000000000000, 0.0011786900000000 ] - [ 0.0008553600000000, 0.0000000000000000, -0.0008838100000000 ] - [ 0.0004699700000000, 0.0000000000000000, 0.0013927600000000 ] - [ -0.0083461300000000, 0.0000000000000000, 0.0068282100000000 ] - [ -0.0003890400000000, 0.0000000000000000, -0.0054089700000000 ] - [ 0.0000745700000000, 0.0000000000000000, 0.0008299400000000 ] - [ -0.0003145300000000, 0.0000000000000000, 0.0007512300000000 ] - [ 0.0000243000000000, 0.0000000000000000, 0.0015403200000000 ] - [ 0.0001968800000000, 0.0000000000000000, 0.0017327200000000 ] - [ 0.0001413700000000, -0.0000784900000000, 0.0015658200000000 ] - [ -0.0002366400000000, 0.0000000000000000, 0.0018118200000000 ] - [ 0.0001413700000000, 0.0000784900000000, 0.0015658200000000 ] - [ 0.0003053900000000, 0.0000458900000000, 0.0016275800000000 ] - [ -0.0046118300000000, 0.0000000000000000, -0.0138108500000000 ] - [ -0.0015412300000000, 0.0000000000000000, 0.0024784900000000 ] - [ -0.0002306700000000, -0.0001148800000000, 0.0015121200000000 ] - [ -0.0045926100000000, 0.0000000000000000, -0.0137519900000000 ] - [ -0.0002352900000000, 0.0000000000000000, 0.0016305800000000 ] - [ -0.0005296700000000, 0.0008869300000000, -0.0011519800000000 ] - [ 0.0061203400000000, -0.0114385300000000, 0.0130740100000000 ] - [ -0.0002950200000000, 0.0000000000000000, 0.0032263400000000 ] - [ 0.0061111400000000, 0.0112424000000000, 0.0129381900000000 ] - [ -0.0002542500000000, 0.0000000000000000, 0.0032069400000000 ] - [ 0.0061111400000000, -0.0112424000000000, 0.0129381900000000 ] - [ -0.0001580300000000, 0.0000375000000000, 0.0014929900000000 ] - [ 0.0003550300000000, 0.0000232600000000, 0.0016069000000000 ] - [ -0.0014466200000000, 0.0000000000000000, 0.0024257500000000 ] - [ 0.0000411100000000, 0.0000000000000000, 0.0016291000000000 ] - [ 0.0000826800000000, 0.0000000000000000, 0.0017339400000000 ] - [ 0.0001451700000000, -0.0000738700000000, 0.0015627700000000 ] - [ -0.0001607200000000, 0.0000000000000000, 0.0016740700000000 ] - [ 0.0001451700000000, 0.0000738700000000, 0.0015627700000000 ] - [ -0.0002306700000000, 0.0001148800000000, 0.0015121200000000 ] - [ 0.0068592900000000, 0.0000000000000000, -0.0087953600000000 ] - [ 0.0016691100000000, 0.0000000000000000, 0.0018551400000000 ] - [ 0.0003053900000000, -0.0000458900000000, 0.0016275800000000 ] - [ 0.0069483200000000, 0.0000000000000000, -0.0087920500000000 ] - [ -0.0002197700000000, 0.0000000000000000, 0.0017236000000000 ] - [ 0.0061203400000000, 0.0114385300000000, 0.0130740100000000 ] - [ -0.0005296700000000, -0.0008869300000000, -0.0011519800000000 ] - [ 0.0000840400000000, 0.0000000000000000, 0.0008803200000000 ] - [ -0.0004100100000000, 0.0009175700000000, -0.0011293200000000 ] - [ 0.0001212100000000, 0.0000000000000000, 0.0008813900000000 ] - [ -0.0004100100000000, -0.0009175700000000, -0.0011293200000000 ] - [ 0.0003550300000000, -0.0000232600000000, 0.0016069000000000 ] - [ -0.0001580300000000, -0.0000375000000000, 0.0014929900000000 ] - [ 0.0017346100000000, 0.0000000000000000, 0.0018115000000000 ] - [ -0.0001411200000000, 0.0001855000000000, -0.0010700300000000 ] - [ -0.0000356500000000, 0.0000000000000000, -0.0012658200000000 ] - [ -0.0001088100000000, -0.0001736800000000, -0.0010377700000000 ] - [ 0.0000789100000000, 0.0000000000000000, -0.0010966100000000 ] - [ 0.0000511200000000, 0.0000000000000000, -0.0010216900000000 ] - [ -0.0001296200000000, 0.0000776200000000, -0.0009467000000000 ] - [ 0.0000903900000000, 0.0000000000000000, -0.0012204800000000 ] - [ -0.0001519900000000, -0.0000603800000000, -0.0009545200000000 ] - [ 0.0001185500000000, 0.0000000000000000, -0.0012283900000000 ] - [ -0.0001296200000000, -0.0000776200000000, -0.0009467000000000 ] - [ 0.0000826600000000, 0.0000000000000000, -0.0010416000000000 ] - [ -0.0001519900000000, 0.0000603800000000, -0.0009545200000000 ] - [ 0.0006247900000000, 0.0000000000000000, -0.0012513400000000 ] - [ 0.0014658100000000, -0.0002230800000000, -0.0006064700000000 ] - [ 0.0000850400000000, 0.0000000000000000, -0.0013671900000000 ] - [ 0.0000457400000000, 0.0000718800000000, -0.0006477300000000 ] - [ -0.0019269700000000, 0.0000000000000000, 0.0069150900000000 ] - [ -0.0013525100000000, 0.0007909800000000, -0.0012527800000000 ] - [ -0.0002125600000000, 0.0000000000000000, -0.0017257400000000 ] - [ -0.0003371000000000, 0.0001442400000000, -0.0013474600000000 ] - [ 0.0028433400000000, 0.0000000000000000, 0.0020511200000000 ] - [ -0.0009729200000000, 0.0031602800000000, 0.0142007000000000 ] - [ 0.0003167900000000, 0.0000000000000000, -0.0039965600000000 ] - [ -0.0008933400000000, -0.0030587200000000, 0.0143077600000000 ] - [ 0.0005371400000000, 0.0000000000000000, -0.0039387300000000 ] - [ -0.0016450600000000, -0.0008815700000000, 0.0020551200000000 ] - [ 0.0067310500000000, 0.0000000000000000, 0.0140543000000000 ] - [ -0.0008933400000000, 0.0030587200000000, 0.0143077600000000 ] - [ -0.0001540400000000, 0.0000000000000000, -0.0017518900000000 ] - [ -0.0003131900000000, 0.0002668100000000, -0.0013597400000000 ] - [ -0.0019702700000000, 0.0000000000000000, 0.0068631100000000 ] - [ 0.0015713600000000, 0.0002047300000000, -0.0005828200000000 ] - [ -0.0000191400000000, 0.0000000000000000, -0.0012786500000000 ] - [ -0.0003131900000000, -0.0002668100000000, -0.0013597400000000 ] - [ -0.0000390100000000, 0.0000000000000000, -0.0009606800000000 ] - [ -0.0012370300000000, -0.0007706800000000, -0.0012188700000000 ] - [ 0.0000628400000000, 0.0000000000000000, -0.0008548000000000 ] - [ 0.0002941200000000, 0.0000000000000000, -0.0013067600000000 ] - [ 0.0000312700000000, 0.0000499200000000, -0.0010081000000000 ] - [ 0.0000312700000000, -0.0000499200000000, -0.0010081000000000 ] - [ -0.0001088100000000, 0.0001736800000000, -0.0010377700000000 ] - [ -0.0000426300000000, 0.0000000000000000, -0.0012234900000000 ] - [ -0.0001411200000000, -0.0001855000000000, -0.0010700300000000 ] - [ 0.0000943400000000, 0.0000000000000000, -0.0011266500000000 ] - [ 0.0000694300000000, 0.0000000000000000, -0.0010519700000000 ] - [ -0.0002346000000000, 0.0000907100000000, -0.0008815600000000 ] - [ 0.0000970400000000, 0.0000000000000000, -0.0012460000000000 ] - [ -0.0001852100000000, -0.0000704300000000, -0.0009862400000000 ] - [ -0.0003408000000000, 0.0000000000000000, -0.0011172600000000 ] - [ -0.0002346000000000, -0.0000907100000000, -0.0008815600000000 ] - [ 0.0001780900000000, 0.0000000000000000, -0.0009244600000000 ] - [ -0.0001852100000000, 0.0000704300000000, -0.0009862400000000 ] - [ -0.0002402300000000, 0.0000000000000000, -0.0009571600000000 ] - [ -0.0013525100000000, -0.0007909800000000, -0.0012527800000000 ] - [ -0.0000368200000000, 0.0000000000000000, -0.0015414100000000 ] - [ -0.0003371000000000, -0.0001442400000000, -0.0013474600000000 ] - [ 0.0010299600000000, 0.0000000000000000, 0.0048279600000000 ] - [ 0.0014658100000000, 0.0002230800000000, -0.0006064700000000 ] - [ -0.0004682700000000, 0.0000000000000000, 0.0003850300000000 ] - [ 0.0000457400000000, -0.0000718800000000, -0.0006477300000000 ] - [ 0.0067138900000000, 0.0000000000000000, 0.0141273900000000 ] - [ -0.0016450600000000, 0.0008815700000000, 0.0020551200000000 ] - [ -0.0001642100000000, 0.0000000000000000, -0.0000960800000000 ] - [ -0.0015867200000000, -0.0008660300000000, 0.0021914300000000 ] - [ 0.0000589400000000, 0.0000000000000000, -0.0000533400000000 ] - [ -0.0009729200000000, -0.0031602800000000, 0.0142007000000000 ] - [ 0.0029505900000000, 0.0000000000000000, 0.0020731900000000 ] - [ -0.0015867200000000, 0.0008660300000000, 0.0021914300000000 ] - [ -0.0004002900000000, 0.0000000000000000, 0.0003485500000000 ] - [ 0.0000685000000000, 0.0000497000000000, -0.0006657900000000 ] - [ 0.0009763900000000, 0.0000000000000000, 0.0047972100000000 ] - [ -0.0012370300000000, 0.0007706800000000, -0.0012188700000000 ] - [ 0.0000886800000000, 0.0000000000000000, -0.0011086900000000 ] - [ 0.0000685000000000, -0.0000497000000000, -0.0006657900000000 ] - [ 0.0008191100000000, 0.0000000000000000, -0.0012517900000000 ] - [ 0.0015713600000000, -0.0002047300000000, -0.0005828200000000 ] - [ -0.0000614400000000, 0.0000000000000000, -0.0009820200000000 ] - [ -0.0001595300000000, 0.0000000000000000, -0.0011923700000000 ] - [ -0.0000732600000000, 0.0000309000000000, -0.0009359400000000 ] - [ -0.0000732600000000, -0.0000309000000000, -0.0009359400000000 ]- atom: 8 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0000437000000000, 0.0000000000000000, -0.0011041700000000 ] - [ 0.0000268400000000, 0.0000000000000000, -0.0010300900000000 ] - [ 0.0001037200000000, 0.0000000000000000, -0.0011521600000000 ] - [ -0.0000988300000000, 0.0000000000000000, -0.0010886900000000 ] - [ 0.0084026400000000, 0.0000000000000000, -0.0068373000000000 ] - [ 0.0004706300000000, 0.0000000000000000, -0.0007717200000000 ] - [ -0.0008266500000000, 0.0000000000000000, 0.0008851800000000 ] - [ 0.0181935600000000, 0.0000000000000000, 0.1240265000000000 ] - [ 0.0001222900000000, 0.0000000000000000, -0.0011972800000000 ] - [ -0.0003078300000000, 0.0000000000000000, -0.0014207000000000 ] - [ 0.0000914900000000, 0.0000000000000000, -0.0011872300000000 ] - [ 0.0000260300000000, 0.0000000000000000, -0.0010041200000000 ] - [ -0.0001403500000000, 0.0000000000000000, -0.0008683700000000 ] - [ -0.0001786500000000, 0.0000000000000000, -0.0010831500000000 ] - [ -0.0008595100000000, 0.0000000000000000, 0.0008522900000000 ] - [ -0.0003963100000000, 0.0000000000000000, -0.0013940400000000 ] - [ 0.0084855200000000, 0.0000000000000000, -0.0068369600000000 ] - [ 0.0003952400000000, 0.0000000000000000, 0.0053481300000000 ] - [ -0.0001264100000000, 0.0000000000000000, -0.0009062600000000 ] - [ 0.0005589100000000, 0.0000000000000000, -0.0007955000000000 ] - [ 0.0001151000000000, 0.0000000000000000, -0.0015760500000000 ] - [ -0.0000428000000000, 0.0000000000000000, -0.0017685700000000 ] - [ -0.0001027900000000, -0.0002089700000000, -0.0015823000000000 ] - [ -0.0000675200000000, 0.0000000000000000, -0.0016757100000000 ] - [ -0.0001027900000000, 0.0002089700000000, -0.0015823000000000 ] - [ -0.0003750500000000, 0.0001316600000000, -0.0016454500000000 ] - [ 0.0046303700000000, 0.0000000000000000, 0.0138651900000000 ] - [ 0.0014547500000000, 0.0000000000000000, -0.0024322400000000 ] - [ 0.0001576100000000, -0.0000637600000000, -0.0015308700000000 ] - [ 0.0046767100000000, 0.0000000000000000, 0.0136225000000000 ] - [ -0.0001135600000000, 0.0000000000000000, -0.0016189300000000 ] - [ 0.0005763500000000, -0.0009713500000000, 0.0011260400000000 ] - [ -0.0060059600000000, 0.0113612600000000, -0.0129561800000000 ] - [ 0.0001590000000000, 0.0000000000000000, -0.0031584600000000 ] - [ -0.0059071500000000, -0.0114273100000000, -0.0131092700000000 ] - [ 0.0001792600000000, 0.0000000000000000, -0.0032333700000000 ] - [ -0.0059071500000000, 0.0114273100000000, -0.0131092700000000 ] - [ 0.0002118600000000, -0.0000009100000000, -0.0015802600000000 ] - [ -0.0003039800000000, -0.0000614100000000, -0.0016960500000000 ] - [ 0.0015390200000000, 0.0000000000000000, -0.0024406600000000 ] - [ 0.0000985800000000, 0.0000000000000000, -0.0016654100000000 ] - [ 0.0000719700000000, 0.0000000000000000, -0.0017695600000000 ] - [ -0.0001059700000000, -0.0002132800000000, -0.0015795400000000 ] - [ -0.0001432700000000, 0.0000000000000000, -0.0015408800000000 ] - [ -0.0001059700000000, 0.0002132800000000, -0.0015795400000000 ] - [ 0.0001576100000000, 0.0000637600000000, -0.0015308700000000 ] - [ -0.0068759100000000, 0.0000000000000000, 0.0088356300000000 ] - [ -0.0017488100000000, 0.0000000000000000, -0.0018033700000000 ] - [ -0.0003750500000000, -0.0001316600000000, -0.0016454500000000 ] - [ -0.0068290100000000, 0.0000000000000000, 0.0086764600000000 ] - [ -0.0001289900000000, 0.0000000000000000, -0.0017118400000000 ] - [ -0.0060059600000000, -0.0113612600000000, -0.0129561800000000 ] - [ 0.0005763500000000, 0.0009713500000000, 0.0011260400000000 ] - [ -0.0002163500000000, 0.0000000000000000, -0.0008293600000000 ] - [ 0.0006814100000000, -0.0009425800000000, 0.0011036700000000 ] - [ -0.0001987400000000, 0.0000000000000000, -0.0008901800000000 ] - [ 0.0006814100000000, 0.0009425800000000, 0.0011036700000000 ] - [ -0.0003039800000000, 0.0000614100000000, -0.0016960500000000 ] - [ 0.0002118600000000, 0.0000009100000000, -0.0015802600000000 ] - [ -0.0016477500000000, 0.0000000000000000, -0.0018307800000000 ] - [ 0.0000954600000000, 0.0000976800000000, 0.0010502800000000 ] - [ -0.0001563500000000, 0.0000000000000000, 0.0015480600000000 ] - [ 0.0000638300000000, -0.0001090900000000, 0.0010182500000000 ] - [ -0.0001328000000000, 0.0000000000000000, 0.0010724600000000 ] - [ -0.0002256100000000, 0.0000000000000000, 0.0009370600000000 ] - [ 0.0000094600000000, -0.0001018800000000, 0.0010376600000000 ] - [ 0.0000494100000000, 0.0000000000000000, 0.0009762300000000 ] - [ 0.0000354600000000, 0.0000763100000000, 0.0009282100000000 ] - [ -0.0004161700000000, 0.0000000000000000, 0.0013863400000000 ] - [ 0.0000094600000000, 0.0001018800000000, 0.0010376600000000 ] - [ -0.0001707000000000, 0.0000000000000000, 0.0010663100000000 ] - [ 0.0000354600000000, -0.0000763100000000, 0.0009282100000000 ] - [ -0.0006915800000000, 0.0000000000000000, 0.0011822800000000 ] - [ -0.0014783200000000, 0.0000959200000000, 0.0004820900000000 ] - [ -0.0001418900000000, 0.0000000000000000, 0.0012469400000000 ] - [ -0.0000321400000000, 0.0001518100000000, 0.0006818800000000 ] - [ 0.0020586000000000, 0.0000000000000000, -0.0068841100000000 ] - [ 0.0013328200000000, -0.0006641300000000, 0.0011240700000000 ] - [ 0.0001873600000000, 0.0000000000000000, 0.0017907200000000 ] - [ 0.0003495100000000, -0.0003666600000000, 0.0013780100000000 ] - [ -0.0030137600000000, 0.0000000000000000, -0.0020180800000000 ] - [ 0.0011512100000000, -0.0034967100000000, -0.0145671200000000 ] - [ -0.0004843500000000, 0.0000000000000000, 0.0038155000000000 ] - [ 0.0007399700000000, 0.0027024700000000, -0.0138075100000000 ] - [ -0.0002696400000000, 0.0000000000000000, 0.0039031300000000 ] - [ 0.0015968000000000, 0.0008557000000000, -0.0021222800000000 ] - [ -0.0075512400000000, 0.0000000000000000, -0.0145449100000000 ] - [ 0.0007399700000000, -0.0027024700000000, -0.0138075100000000 ] - [ 0.0002374000000000, 0.0000000000000000, 0.0017595200000000 ] - [ 0.0003567300000000, -0.0002405200000000, 0.0013698700000000 ] - [ 0.0020194400000000, 0.0000000000000000, -0.0068277600000000 ] - [ -0.0013567600000000, -0.0001033700000000, 0.0005278700000000 ] - [ -0.0000100800000000, 0.0000000000000000, 0.0015494000000000 ] - [ 0.0003567300000000, 0.0002405200000000, 0.0013698700000000 ] - [ 0.0003665700000000, 0.0000000000000000, 0.0008850000000000 ] - [ 0.0014575000000000, 0.0006719600000000, 0.0011675100000000 ] - [ -0.0001056900000000, 0.0000000000000000, 0.0010920900000000 ] - [ -0.0002476600000000, 0.0000000000000000, 0.0012947600000000 ] - [ 0.0000805200000000, 0.0000112600000000, 0.0010731800000000 ] - [ 0.0000805200000000, -0.0000112600000000, 0.0010731800000000 ] - [ 0.0000638300000000, 0.0001090900000000, 0.0010182500000000 ] - [ -0.0001490200000000, 0.0000000000000000, 0.0015087400000000 ] - [ 0.0000954600000000, -0.0000976800000000, 0.0010502800000000 ] - [ -0.0001473200000000, 0.0000000000000000, 0.0011025100000000 ] - [ -0.0002433900000000, 0.0000000000000000, 0.0009672500000000 ] - [ 0.0001123600000000, -0.0001108400000000, 0.0009717400000000 ] - [ 0.0000432600000000, 0.0000000000000000, 0.0010018700000000 ] - [ 0.0000684100000000, 0.0000858500000000, 0.0009593200000000 ] - [ 0.0000422400000000, 0.0000000000000000, 0.0012754700000000 ] - [ 0.0001123600000000, 0.0001108400000000, 0.0009717400000000 ] - [ -0.0002637400000000, 0.0000000000000000, 0.0009491800000000 ] - [ 0.0000684100000000, -0.0000858500000000, 0.0009593200000000 ] - [ 0.0001689100000000, 0.0000000000000000, 0.0008914100000000 ] - [ 0.0013328200000000, 0.0006641300000000, 0.0011240700000000 ] - [ -0.0000204100000000, 0.0000000000000000, 0.0014204700000000 ] - [ 0.0003495100000000, 0.0003666600000000, 0.0013780100000000 ] - [ -0.0008985600000000, 0.0000000000000000, -0.0048004600000000 ] - [ -0.0014783200000000, -0.0000959200000000, 0.0004820900000000 ] - [ 0.0004304700000000, 0.0000000000000000, -0.0003245500000000 ] - [ -0.0000321400000000, -0.0001518100000000, 0.0006818800000000 ] - [ -0.0060678600000000, 0.0000000000000000, -0.0135323000000000 ] - [ 0.0015968000000000, -0.0008557000000000, -0.0021222800000000 ] - [ -0.0000016300000000, 0.0000000000000000, -0.0000609400000000 ] - [ 0.0016537100000000, 0.0008642500000000, -0.0019893300000000 ] - [ 0.0002075400000000, 0.0000000000000000, -0.0000046400000000 ] - [ 0.0011512100000000, 0.0034967100000000, -0.0145671200000000 ] - [ -0.0029250600000000, 0.0000000000000000, -0.0019912700000000 ] - [ 0.0016537100000000, -0.0008642500000000, -0.0019893300000000 ] - [ 0.0004971000000000, 0.0000000000000000, -0.0003355200000000 ] - [ -0.0000271000000000, -0.0000216500000000, 0.0006720600000000 ] - [ -0.0009270100000000, 0.0000000000000000, -0.0047591200000000 ] - [ 0.0014575000000000, -0.0006719600000000, 0.0011675100000000 ] - [ -0.0001195600000000, 0.0000000000000000, 0.0013773700000000 ] - [ -0.0000271000000000, 0.0000216500000000, 0.0006720600000000 ] - [ -0.0004963800000000, 0.0000000000000000, 0.0011784800000000 ] - [ -0.0013567600000000, 0.0001033700000000, 0.0005278700000000 ] - [ 0.0000193000000000, 0.0000000000000000, 0.0012203900000000 ] - [ 0.0002087300000000, 0.0000000000000000, 0.0011836000000000 ] - [ 0.0001857300000000, 0.0000305900000000, 0.0010006300000000 ] - [ 0.0001857300000000, -0.0000305900000000, 0.0010006300000000 ]- atom: 9 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0045972700000000, 0.0000000000000000, -0.0002996600000000 ] - [ -0.0015899700000000, 0.0000000000000000, 0.0008284600000000 ] - [ -0.0000998500000000, 0.0000000000000000, 0.0000645300000000 ] - [ 0.0001536100000000, 0.0000000000000000, 0.0001090500000000 ] - [ 0.0000124900000000, 0.0000000000000000, -0.0000459900000000 ] - [ 0.0000674100000000, 0.0000000000000000, 0.0000105700000000 ] - [ 0.0008156200000000, 0.0000000000000000, -0.0005955900000000 ] - [ -0.0002114200000000, 0.0000000000000000, -0.0001452200000000 ] - [ -0.1225663700000000, 0.0000000000000000, 0.0054372600000000 ] - [ 0.0030777000000000, 0.0000000000000000, -0.0090586800000000 ] - [ -0.0073381200000000, 0.0000000000000000, -0.0001083600000000 ] - [ 0.0008952000000000, 0.0000000000000000, -0.0008016400000000 ] - [ -0.0000362400000000, 0.0000000000000000, -0.0000426400000000 ] - [ -0.0003306300000000, 0.0000000000000000, -0.0000464700000000 ] - [ -0.0000543600000000, 0.0000000000000000, 0.0000556300000000 ] - [ 0.0000054500000000, 0.0000000000000000, 0.0000253200000000 ] - [ -0.0017118300000000, 0.0000000000000000, 0.0006839000000000 ] - [ 0.0002382900000000, 0.0000000000000000, 0.0000405500000000 ] - [ 0.0038465100000000, 0.0000000000000000, -0.0009847900000000 ] - [ 0.0014448900000000, 0.0000000000000000, 0.0007216000000000 ] - [ 0.0032089200000000, 0.0000000000000000, -0.0023162200000000 ] - [ 0.0025842200000000, 0.0000000000000000, 0.0019616100000000 ] - [ 0.0015777100000000, -0.0000444800000000, 0.0008712700000000 ] - [ -0.0001979500000000, 0.0000000000000000, 0.0005306400000000 ] - [ 0.0015777100000000, 0.0000444800000000, 0.0008712700000000 ] - [ -0.0001379600000000, 0.0001050600000000, 0.0000189200000000 ] - [ 0.0000517600000000, 0.0000000000000000, -0.0001979200000000 ] - [ -0.0000331900000000, 0.0000000000000000, 0.0000542800000000 ] - [ 0.0000878400000000, -0.0000962000000000, 0.0000197200000000 ] - [ -0.0005061100000000, 0.0000000000000000, 0.0003438700000000 ] - [ 0.0003397400000000, 0.0000000000000000, -0.0003109600000000 ] - [ 0.0001400200000000, -0.0000298200000000, 0.0000219600000000 ] - [ -0.0000685500000000, 0.0000207600000000, 0.0000122600000000 ] - [ -0.0000735100000000, 0.0000000000000000, 0.0000801700000000 ] - [ -0.0005308600000000, 0.0009464300000000, -0.0011718000000000 ] - [ -0.0117118400000000, 0.0000000000000000, -0.0004533400000000 ] - [ -0.0005308600000000, -0.0009464300000000, -0.0011718000000000 ] - [ 0.0170356100000000, 0.0129694400000000, -0.0009000400000000 ] - [ 0.0165084900000000, -0.0113159800000000, -0.0020821800000000 ] - [ -0.0020958700000000, 0.0000000000000000, 0.0102989700000000 ] - [ -0.0023937000000000, 0.0000000000000000, 0.0100803600000000 ] - [ 0.0046690500000000, 0.0000000000000000, -0.0160355300000000 ] - [ -0.0010062000000000, 0.0002635100000000, -0.0012287900000000 ] - [ -0.0001152000000000, 0.0000000000000000, -0.0002197700000000 ] - [ -0.0010062000000000, -0.0002635100000000, -0.0012287900000000 ] - [ 0.0000878400000000, 0.0000962000000000, 0.0000197200000000 ] - [ -0.0000477000000000, 0.0000000000000000, 0.0004647500000000 ] - [ -0.0000597700000000, 0.0000000000000000, 0.0000736900000000 ] - [ -0.0001379600000000, -0.0001050600000000, 0.0000189200000000 ] - [ 0.0005585600000000, 0.0000000000000000, -0.0003258900000000 ] - [ -0.0007243100000000, 0.0000000000000000, 0.0003618800000000 ] - [ -0.0000685500000000, -0.0000207600000000, 0.0000122600000000 ] - [ 0.0001400200000000, 0.0000298200000000, 0.0000219600000000 ] - [ -0.0000530100000000, 0.0000000000000000, 0.0000579600000000 ] - [ 0.0016506700000000, 0.0000437000000000, 0.0007844100000000 ] - [ 0.0064281300000000, 0.0000000000000000, -0.0001928400000000 ] - [ 0.0016506700000000, -0.0000437000000000, 0.0007844100000000 ] - [ 0.0165084900000000, 0.0113159800000000, -0.0020821800000000 ] - [ 0.0170356100000000, -0.0129694400000000, -0.0009000400000000 ] - [ 0.0026590100000000, 0.0000000000000000, -0.0022921600000000 ] - [ -0.0009025400000000, 0.0014313700000000, -0.0026204100000000 ] - [ -0.0003414400000000, 0.0000000000000000, -0.0007853600000000 ] - [ -0.0005723300000000, -0.0004166700000000, 0.0020401900000000 ] - [ -0.0021093800000000, 0.0000000000000000, -0.0001292100000000 ] - [ -0.0000458900000000, 0.0000000000000000, 0.0004733900000000 ] - [ -0.0001696400000000, 0.0000374000000000, -0.0001032100000000 ] - [ -0.0013893200000000, 0.0000000000000000, -0.0001398900000000 ] - [ -0.0005634700000000, -0.0000222800000000, 0.0000453700000000 ] - [ -0.0001777400000000, 0.0000000000000000, 0.0000236900000000 ] - [ -0.0001696400000000, -0.0000374000000000, -0.0001032100000000 ] - [ 0.0001077700000000, 0.0000000000000000, -0.0000815700000000 ] - [ -0.0005634700000000, 0.0000222800000000, 0.0000453700000000 ] - [ -0.0000564500000000, 0.0000000000000000, -0.0000609900000000 ] - [ -0.0000313600000000, -0.0000602800000000, -0.0000739300000000 ] - [ -0.0001090100000000, 0.0000000000000000, 0.0000123900000000 ] - [ -0.0000131300000000, 0.0001086900000000, 0.0000118600000000 ] - [ 0.0001532900000000, 0.0000000000000000, -0.0000208100000000 ] - [ 0.0000106900000000, 0.0000641400000000, -0.0000972600000000 ] - [ 0.0000087900000000, 0.0000000000000000, 0.0000168600000000 ] - [ 0.0000265200000000, -0.0001114900000000, -0.0000155600000000 ] - [ -0.0001865100000000, 0.0000000000000000, 0.0000485700000000 ] - [ 0.0005497500000000, -0.0001990200000000, 0.0000821200000000 ] - [ -0.0000538900000000, 0.0000000000000000, -0.0000943400000000 ] - [ 0.0001020200000000, 0.0000122200000000, 0.0001871000000000 ] - [ 0.0018904900000000, 0.0000000000000000, 0.0030329200000000 ] - [ -0.0004678100000000, -0.0000476100000000, 0.0000077600000000 ] - [ -0.0000924700000000, 0.0000000000000000, 0.0005866500000000 ] - [ 0.0001020200000000, -0.0000122200000000, 0.0001871000000000 ] - [ 0.0033530300000000, 0.0000000000000000, -0.0002852000000000 ] - [ 0.0121607500000000, 0.0028332500000000, -0.0026438000000000 ] - [ 0.0002036400000000, 0.0000000000000000, 0.0003381800000000 ] - [ -0.0007638300000000, -0.0013826500000000, -0.0025474400000000 ] - [ 0.0145928000000000, 0.0000000000000000, 0.0050918700000000 ] - [ 0.0121607500000000, -0.0028332500000000, -0.0026438000000000 ] - [ -0.0048154700000000, 0.0000000000000000, 0.0025593300000000 ] - [ -0.0003323200000000, -0.0001893500000000, 0.0016199900000000 ] - [ -0.0045759800000000, 0.0000000000000000, 0.0024745600000000 ] - [ 0.0171072500000000, 0.0000000000000000, 0.0062606000000000 ] - [ 0.0089969200000000, 0.0002278900000000, 0.0012048600000000 ] - [ 0.0089969200000000, -0.0002278900000000, 0.0012048600000000 ] - [ -0.0005723300000000, 0.0004166700000000, 0.0020401900000000 ] - [ 0.0001004200000000, 0.0000000000000000, 0.0005964000000000 ] - [ -0.0009025400000000, -0.0014313700000000, -0.0026204100000000 ] - [ 0.0041127000000000, 0.0000000000000000, 0.0002977200000000 ] - [ -0.0001954900000000, 0.0000000000000000, -0.0005251500000000 ] - [ 0.0000168700000000, -0.0000288400000000, 0.0001372100000000 ] - [ 0.0018214900000000, 0.0000000000000000, 0.0014299300000000 ] - [ 0.0005110000000000, 0.0000754200000000, 0.0000463800000000 ] - [ -0.0001227300000000, 0.0000000000000000, 0.0000681100000000 ] - [ 0.0000168700000000, 0.0000288400000000, 0.0001372100000000 ] - [ -0.0001583300000000, 0.0000000000000000, 0.0000547300000000 ] - [ 0.0005110000000000, -0.0000754200000000, 0.0000463800000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0000417000000000 ] - [ 0.0000106900000000, -0.0000641400000000, -0.0000972600000000 ] - [ 0.0000643600000000, 0.0000000000000000, -0.0001117300000000 ] - [ 0.0000265200000000, 0.0001114900000000, -0.0000155600000000 ] - [ -0.0000262800000000, 0.0000000000000000, 0.0000787200000000 ] - [ -0.0000313600000000, 0.0000602800000000, -0.0000739300000000 ] - [ -0.0000416800000000, 0.0000000000000000, -0.0000029700000000 ] - [ -0.0000131300000000, -0.0001086900000000, 0.0000118600000000 ] - [ 0.0000664300000000, 0.0000000000000000, -0.0000681300000000 ] - [ -0.0004678100000000, 0.0000476100000000, 0.0000077600000000 ] - [ -0.0001024800000000, 0.0000000000000000, -0.0001364100000000 ] - [ -0.0000628100000000, -0.0000457800000000, -0.0000453500000000 ] - [ -0.0012085400000000, 0.0000000000000000, 0.0000454400000000 ] - [ 0.0005497500000000, 0.0001990200000000, 0.0000821200000000 ] - [ -0.0000884800000000, 0.0000000000000000, -0.0004652700000000 ] - [ -0.0000628100000000, 0.0000457800000000, -0.0000453500000000 ] - [ -0.0016886900000000, 0.0000000000000000, 0.0001279400000000 ] - [ -0.0040150600000000, -0.0005940800000000, -0.0007502800000000 ] - [ -0.0001871000000000, 0.0000000000000000, -0.0008789700000000 ] - [ -0.0003323200000000, 0.0001893500000000, 0.0016199900000000 ] - [ -0.0028235900000000, 0.0000000000000000, 0.0010420400000000 ] - [ -0.0040150600000000, 0.0005940800000000, -0.0007502800000000 ] - [ 0.0034346000000000, 0.0000000000000000, -0.0026890000000000 ] - [ -0.0007638300000000, 0.0013826500000000, -0.0025474400000000 ] - [ 0.0007381300000000, 0.0000000000000000, -0.0020532700000000 ] - [ -0.0026826100000000, 0.0000000000000000, 0.0013801500000000 ] - [ -0.0038262400000000, 0.0007294300000000, -0.0004721700000000 ] - [ -0.0038262400000000, -0.0007294300000000, -0.0004721700000000 ]- atom: 9 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0045237200000000, 0.0000000000000000, 0.0001391500000000 ] - [ 0.0014394900000000, 0.0000000000000000, -0.0008630700000000 ] - [ -0.0000173900000000, 0.0000000000000000, -0.0000822300000000 ] - [ -0.0003521500000000, 0.0000000000000000, -0.0000212500000000 ] - [ -0.0000267300000000, 0.0000000000000000, 0.0000158700000000 ] - [ 0.0000032000000000, 0.0000000000000000, -0.0000174000000000 ] - [ -0.0007690700000000, 0.0000000000000000, 0.0006345700000000 ] - [ 0.0002145600000000, 0.0000000000000000, 0.0000846700000000 ] - [ 0.1224010200000000, 0.0000000000000000, -0.0056901900000000 ] - [ -0.0028167100000000, 0.0000000000000000, 0.0090775100000000 ] - [ 0.0074235700000000, 0.0000000000000000, -0.0000298900000000 ] - [ -0.0010504400000000, 0.0000000000000000, 0.0007674800000000 ] - [ -0.0000796500000000, 0.0000000000000000, 0.0000245200000000 ] - [ 0.0001325000000000, 0.0000000000000000, 0.0001350400000000 ] - [ 0.0000401900000000, 0.0000000000000000, -0.0000852700000000 ] - [ 0.0000650500000000, 0.0000000000000000, -0.0000323700000000 ] - [ 0.0017527700000000, 0.0000000000000000, -0.0006447600000000 ] - [ -0.0002347900000000, 0.0000000000000000, -0.0001001600000000 ] - [ -0.0038930200000000, 0.0000000000000000, 0.0009093400000000 ] - [ -0.0011999000000000, 0.0000000000000000, -0.0007577800000000 ] - [ -0.0031048900000000, 0.0000000000000000, 0.0022837500000000 ] - [ -0.0024207300000000, 0.0000000000000000, -0.0019802000000000 ] - [ -0.0015411600000000, -0.0002536200000000, -0.0008990400000000 ] - [ -0.0001141500000000, 0.0000000000000000, -0.0004076200000000 ] - [ -0.0015411600000000, 0.0002536200000000, -0.0008990400000000 ] - [ 0.0000681500000000, 0.0000747900000000, -0.0000386100000000 ] - [ -0.0000506000000000, 0.0000000000000000, 0.0002405400000000 ] - [ -0.0000572100000000, 0.0000000000000000, -0.0000014200000000 ] - [ -0.0001579400000000, -0.0000837300000000, -0.0000395400000000 ] - [ 0.0006081200000000, 0.0000000000000000, -0.0004685500000000 ] - [ -0.0006798100000000, 0.0000000000000000, 0.0003215100000000 ] - [ -0.0000947500000000, -0.0000527100000000, -0.0000441600000000 ] - [ 0.0001136400000000, 0.0000617200000000, -0.0000347400000000 ] - [ -0.0000511500000000, 0.0000000000000000, -0.0000181800000000 ] - [ 0.0008033200000000, -0.0009727600000000, 0.0011322300000000 ] - [ 0.0115937200000000, 0.0000000000000000, 0.0004161600000000 ] - [ 0.0008033200000000, 0.0009727600000000, 0.0011322300000000 ] - [ -0.0168174800000000, -0.0127714700000000, 0.0008041700000000 ] - [ -0.0166234300000000, 0.0114657200000000, 0.0020082500000000 ] - [ 0.0021955000000000, 0.0000000000000000, -0.0103081000000000 ] - [ 0.0025063100000000, 0.0000000000000000, -0.0101252000000000 ] - [ -0.0045335800000000, 0.0000000000000000, 0.0159350500000000 ] - [ 0.0010437100000000, -0.0005633700000000, 0.0012066400000000 ] - [ -0.0001972800000000, 0.0000000000000000, 0.0003436500000000 ] - [ 0.0010437100000000, 0.0005633700000000, 0.0012066400000000 ] - [ -0.0001579400000000, 0.0000837300000000, -0.0000395400000000 ] - [ 0.0000486100000000, 0.0000000000000000, -0.0004205600000000 ] - [ -0.0000304000000000, 0.0000000000000000, -0.0000207800000000 ] - [ 0.0000681500000000, -0.0000747900000000, -0.0000386100000000 ] - [ -0.0004534400000000, 0.0000000000000000, 0.0002005900000000 ] - [ 0.0003870900000000, 0.0000000000000000, -0.0003519400000000 ] - [ 0.0001136400000000, -0.0000617200000000, -0.0000347400000000 ] - [ -0.0000947500000000, 0.0000527100000000, -0.0000441600000000 ] - [ -0.0000716400000000, 0.0000000000000000, 0.0000042400000000 ] - [ -0.0013787600000000, -0.0000725800000000, -0.0008176700000000 ] - [ -0.0065265000000000, 0.0000000000000000, 0.0001903100000000 ] - [ -0.0013787600000000, 0.0000725800000000, -0.0008176700000000 ] - [ -0.0166234300000000, -0.0114657200000000, 0.0020082500000000 ] - [ -0.0168174800000000, 0.0127714700000000, 0.0008041700000000 ] - [ -0.0025515500000000, 0.0000000000000000, 0.0022701900000000 ] - [ 0.0008516400000000, -0.0011563100000000, 0.0026121600000000 ] - [ 0.0001423900000000, 0.0000000000000000, 0.0010756300000000 ] - [ 0.0005267100000000, 0.0001405600000000, -0.0020549900000000 ] - [ 0.0020559300000000, 0.0000000000000000, 0.0001109700000000 ] - [ -0.0001050800000000, 0.0000000000000000, -0.0005515000000000 ] - [ 0.0000451100000000, -0.0000589800000000, 0.0001927600000000 ] - [ 0.0015353400000000, 0.0000000000000000, -0.0000935800000000 ] - [ 0.0004501100000000, 0.0000220200000000, -0.0000694000000000 ] - [ -0.0001249800000000, 0.0000000000000000, 0.0001341300000000 ] - [ 0.0000451100000000, 0.0000589800000000, 0.0001927600000000 ] - [ -0.0001990800000000, 0.0000000000000000, 0.0001032000000000 ] - [ 0.0004501100000000, -0.0000220200000000, -0.0000694000000000 ] - [ -0.0000033700000000, 0.0000000000000000, -0.0000009900000000 ] - [ 0.0000133500000000, -0.0000656700000000, -0.0000606700000000 ] - [ 0.0000649300000000, 0.0000000000000000, -0.0001122900000000 ] - [ 0.0000298000000000, 0.0001113300000000, 0.0000216900000000 ] - [ -0.0000260800000000, 0.0000000000000000, 0.0000471300000000 ] - [ -0.0000285700000000, 0.0000619300000000, -0.0000374800000000 ] - [ -0.0000452500000000, 0.0000000000000000, 0.0000363600000000 ] - [ -0.0000099400000000, -0.0001087300000000, 0.0000492100000000 ] - [ 0.0000197700000000, 0.0000000000000000, -0.0000108800000000 ] - [ -0.0006016300000000, 0.0002224300000000, -0.0001491500000000 ] - [ -0.0001036700000000, 0.0000000000000000, -0.0000626900000000 ] - [ -0.0000296100000000, -0.0000140100000000, 0.0000181300000000 ] - [ -0.0016262200000000, 0.0000000000000000, -0.0030871200000000 ] - [ 0.0004135900000000, 0.0000234300000000, -0.0000763400000000 ] - [ 0.0001125600000000, 0.0000000000000000, -0.0005045200000000 ] - [ -0.0000296100000000, 0.0000140100000000, 0.0000181300000000 ] - [ -0.0032592400000000, 0.0000000000000000, 0.0003071900000000 ] - [ -0.0122373100000000, -0.0030113100000000, 0.0028353300000000 ] - [ -0.0001512100000000, 0.0000000000000000, -0.0002987100000000 ] - [ 0.0009851700000000, 0.0014954900000000, 0.0025019000000000 ] - [ -0.0157432200000000, 0.0000000000000000, -0.0056696200000000 ] - [ -0.0122373100000000, 0.0030113100000000, 0.0028353300000000 ] - [ 0.0051545600000000, 0.0000000000000000, -0.0026506300000000 ] - [ 0.0005475500000000, 0.0000762900000000, -0.0016602600000000 ] - [ 0.0045509700000000, 0.0000000000000000, -0.0022335600000000 ] - [ -0.0158391100000000, 0.0000000000000000, -0.0054005800000000 ] - [ -0.0087800400000000, -0.0003271400000000, -0.0012763200000000 ] - [ -0.0087800400000000, 0.0003271400000000, -0.0012763200000000 ] - [ 0.0005267100000000, -0.0001405600000000, -0.0020549900000000 ] - [ -0.0002992500000000, 0.0000000000000000, -0.0003078700000000 ] - [ 0.0008516400000000, 0.0011563100000000, 0.0026121600000000 ] - [ -0.0041779900000000, 0.0000000000000000, -0.0003183400000000 ] - [ 0.0000433700000000, 0.0000000000000000, 0.0004490500000000 ] - [ -0.0001413900000000, 0.0000074300000000, -0.0000480400000000 ] - [ -0.0016792500000000, 0.0000000000000000, -0.0016723000000000 ] - [ -0.0006268800000000, -0.0000761700000000, -0.0000710700000000 ] - [ -0.0001799000000000, 0.0000000000000000, 0.0000895700000000 ] - [ -0.0001413900000000, -0.0000074300000000, -0.0000480400000000 ] - [ 0.0000675100000000, 0.0000000000000000, -0.0000330600000000 ] - [ -0.0006268800000000, 0.0000761700000000, -0.0000710700000000 ] - [ -0.0000598100000000, 0.0000000000000000, -0.0000203500000000 ] - [ -0.0000285700000000, -0.0000619300000000, -0.0000374800000000 ] - [ -0.0001088700000000, 0.0000000000000000, 0.0000116800000000 ] - [ -0.0000099400000000, 0.0001087300000000, 0.0000492100000000 ] - [ 0.0001528700000000, 0.0000000000000000, -0.0000526300000000 ] - [ 0.0000133500000000, 0.0000656700000000, -0.0000606700000000 ] - [ 0.0000053500000000, 0.0000000000000000, 0.0000561100000000 ] - [ 0.0000298000000000, -0.0001113300000000, 0.0000216900000000 ] - [ -0.0002328900000000, 0.0000000000000000, 0.0001059800000000 ] - [ 0.0004135900000000, -0.0000234300000000, -0.0000763400000000 ] - [ -0.0000548600000000, 0.0000000000000000, -0.0000207100000000 ] - [ 0.0001354500000000, 0.0000440400000000, 0.0002502700000000 ] - [ 0.0014698200000000, 0.0000000000000000, -0.0001136600000000 ] - [ -0.0006016300000000, -0.0002224300000000, -0.0001491500000000 ] - [ 0.0001101600000000, 0.0000000000000000, 0.0005450100000000 ] - [ 0.0001354500000000, -0.0000440400000000, 0.0002502700000000 ] - [ 0.0017736300000000, 0.0000000000000000, -0.0001095400000000 ] - [ 0.0040520500000000, 0.0006263700000000, 0.0007457500000000 ] - [ 0.0002403300000000, 0.0000000000000000, 0.0009164800000000 ] - [ 0.0005475500000000, -0.0000762900000000, -0.0016602600000000 ] - [ 0.0028000500000000, 0.0000000000000000, -0.0007806300000000 ] - [ 0.0040520500000000, -0.0006263700000000, 0.0007457500000000 ] - [ -0.0031004700000000, 0.0000000000000000, 0.0026096000000000 ] - [ 0.0009851700000000, -0.0014954900000000, 0.0025019000000000 ] - [ -0.0007719800000000, 0.0000000000000000, 0.0022737200000000 ] - [ 0.0027101600000000, 0.0000000000000000, -0.0014079300000000 ] - [ 0.0039279700000000, -0.0006792300000000, 0.0005363000000000 ] - [ 0.0039279700000000, 0.0006792300000000, 0.0005363000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000350300000000, 0.0001838700000000, -0.0000788900000000 ] - [ -0.0000785400000000, -0.0000953700000000, -0.0000166200000000 ] - [ -0.0000591100000000, -0.0000058200000000, -0.0000090700000000 ] - [ -0.0000991800000000, -0.0000489300000000, 0.0000429900000000 ] - [ -0.0000075600000000, -0.0000050100000000, -0.0000152100000000 ] - [ 0.0000351500000000, -0.0000020300000000, -0.0000036100000000 ] - [ 0.0000224300000000, -0.0003749600000000, 0.0000189400000000 ] - [ 0.0000014600000000, -0.0000331300000000, -0.0000303900000000 ] - [ 0.0000959600000000, -0.0695611500000000, -0.0001917300000000 ] - [ 0.0001345100000000, -0.0066341300000000, -0.0000340500000000 ] - [ 0.0000502600000000, 0.0101998700000000, -0.0001200600000000 ] - [ -0.0000779300000000, -0.0005472200000000, -0.0000169100000000 ] - [ -0.0000587700000000, -0.0000058100000000, -0.0000091200000000 ] - [ -0.0000991700000000, -0.0000327400000000, 0.0000430500000000 ] - [ -0.0000071700000000, -0.0000041500000000, -0.0000149100000000 ] - [ 0.0000349900000000, -0.0000029000000000, -0.0000038900000000 ] - [ 0.0000222100000000, -0.0000897000000000, 0.0000191400000000 ] - [ 0.0000013600000000, -0.0000320300000000, -0.0000302400000000 ] - [ -0.0000252900000000, -0.0001800600000000, -0.0000370000000000 ] - [ 0.0001277100000000, -0.0002075700000000, -0.0000151200000000 ] - [ 0.0000550700000000, 0.0018741900000000, -0.0000152300000000 ] - [ 0.0000736400000000, -0.0003098800000000, -0.0000122400000000 ] - [ 0.0001371500000000, -0.0001458100000000, 0.0000351700000000 ] - [ -0.0001564700000000, 0.0000106400000000, 0.0000613400000000 ] - [ -0.0001007600000000, 0.0001545300000000, -0.0000614700000000 ] - [ -0.0000300800000000, 0.0000892900000000, -0.0000053900000000 ] - [ 0.0000001900000000, 0.0000111200000000, 0.0000208800000000 ] - [ -0.0000452000000000, 0.0000006400000000, 0.0000263300000000 ] - [ -0.0000395900000000, -0.0000907700000000, -0.0000153700000000 ] - [ 0.0000517900000000, 0.0000744500000000, -0.0000630700000000 ] - [ -0.0001698600000000, 0.0001471600000000, 0.0000040300000000 ] - [ 0.0000256400000000, -0.0000419300000000, -0.0000079400000000 ] - [ 0.0000186100000000, 0.0000403600000000, -0.0000161600000000 ] - [ -0.0000625500000000, 0.0000013100000000, 0.0000308400000000 ] - [ 0.0005054300000000, -0.0000110000000000, 0.0006323300000000 ] - [ -0.0000682500000000, 0.0185446300000000, 0.0000638100000000 ] - [ -0.0002339800000000, 0.0000183700000000, -0.0006692400000000 ] - [ 0.0133745400000000, 0.0026612800000000, 0.0030971900000000 ] - [ -0.0133602100000000, 0.0024750600000000, -0.0030538400000000 ] - [ 0.0000465300000000, -0.0006557600000000, -0.0000223900000000 ] - [ 0.0000588600000000, -0.0005667600000000, -0.0000044100000000 ] - [ 0.0000610500000000, -0.0118217500000000, 0.0000210600000000 ] - [ 0.0005114300000000, -0.0001622400000000, 0.0006804700000000 ] - [ -0.0001562900000000, 0.0000158500000000, 0.0000612100000000 ] - [ -0.0004757100000000, 0.0001377800000000, -0.0007075800000000 ] - [ -0.0000302500000000, 0.0000894800000000, -0.0000049100000000 ] - [ 0.0000004300000000, 0.0000055800000000, 0.0000211500000000 ] - [ -0.0000449100000000, 0.0000008700000000, 0.0000263200000000 ] - [ -0.0000398000000000, -0.0000908200000000, -0.0000149700000000 ] - [ 0.0000519100000000, 0.0000998000000000, -0.0000630400000000 ] - [ -0.0001699500000000, 0.0000680400000000, 0.0000039700000000 ] - [ 0.0000265000000000, -0.0000419600000000, -0.0000067700000000 ] - [ 0.0000193100000000, 0.0000404800000000, -0.0000150100000000 ] - [ -0.0000624600000000, 0.0000010500000000, 0.0000308500000000 ] - [ 0.0002205800000000, -0.0000093400000000, 0.0000196500000000 ] - [ -0.0000438300000000, 0.0003054000000000, -0.0000039000000000 ] - [ 0.0000496400000000, 0.0000191700000000, -0.0000563900000000 ] - [ 0.0133277800000000, 0.0025411300000000, 0.0029750900000000 ] - [ -0.0132427700000000, 0.0026758600000000, -0.0031852000000000 ] - [ 0.0000511800000000, 0.0013375100000000, -0.0000109000000000 ] - [ -0.0001287600000000, 0.0003059700000000, -0.0002262000000000 ] - [ -0.0000981400000000, 0.0000221100000000, 0.0001455400000000 ] - [ -0.0010186400000000, -0.0004617300000000, 0.0017819500000000 ] - [ -0.0000276600000000, -0.0000478400000000, -0.0000098600000000 ] - [ -0.0000770500000000, -0.0001318700000000, -0.0000379700000000 ] - [ -0.0000573800000000, -0.0000083200000000, 0.0000329200000000 ] - [ 0.0000719300000000, 0.0000584600000000, -0.0001196700000000 ] - [ 0.0000421100000000, 0.0000073600000000, -0.0001255600000000 ] - [ -0.0001505600000000, 0.0000002800000000, 0.0000806500000000 ] - [ -0.0000677900000000, 0.0000082500000000, 0.0000562700000000 ] - [ -0.0000441900000000, 0.0000079100000000, 0.0000110200000000 ] - [ -0.0001559600000000, 0.0000050200000000, 0.0001022600000000 ] - [ -0.0000312700000000, -0.0000022000000000, -0.0000307900000000 ] - [ -0.0000096100000000, -0.0000612600000000, -0.0000659400000000 ] - [ -0.0000222500000000, -0.0000077500000000, -0.0000497500000000 ] - [ 0.0000086700000000, 0.0001111900000000, 0.0000164700000000 ] - [ 0.0000643600000000, -0.0000112800000000, 0.0000151300000000 ] - [ -0.0000095300000000, 0.0000590600000000, -0.0000692400000000 ] - [ -0.0000163900000000, -0.0000016800000000, 0.0000271800000000 ] - [ 0.0000083000000000, -0.0001132700000000, 0.0000182400000000 ] - [ -0.0000852000000000, 0.0000036900000000, 0.0000185000000000 ] - [ 0.0000218400000000, -0.0000067800000000, 0.0000660800000000 ] - [ -0.0000794600000000, -0.0000001700000000, -0.0000798400000000 ] - [ 0.0000358000000000, 0.0000030600000000, 0.0001130200000000 ] - [ 0.0001342700000000, -0.0012956300000000, -0.0000296200000000 ] - [ 0.0000366700000000, -0.0000151000000000, -0.0001128500000000 ] - [ 0.0000123400000000, -0.0000897700000000, 0.0000406600000000 ] - [ 0.0000367900000000, -0.0000009900000000, 0.0000923200000000 ] - [ 0.0000375600000000, 0.0012163000000000, 0.0000102500000000 ] - [ 0.0012152100000000, 0.0091256900000000, -0.0037925400000000 ] - [ 0.0000250500000000, 0.0001052300000000, 0.0000179800000000 ] - [ 0.0001909400000000, 0.0002111800000000, 0.0001776000000000 ] - [ 0.0000369300000000, 0.0074048100000000, 0.0001646700000000 ] - [ -0.0015669000000000, 0.0096914900000000, 0.0043144900000000 ] - [ 0.0001668300000000, 0.0024526700000000, -0.0000386300000000 ] - [ 0.0008049800000000, -0.0000180400000000, -0.0012528000000000 ] - [ -0.0000164100000000, 0.0031092500000000, 0.0001077900000000 ] - [ -0.0000400000000000, 0.0079597000000000, -0.0000506500000000 ] - [ 0.0033915300000000, 0.0095143800000000, -0.0005769500000000 ] - [ -0.0029965800000000, 0.0100155900000000, 0.0002189600000000 ] - [ 0.0009668400000000, -0.0001818400000000, -0.0017923800000000 ] - [ -0.0000979600000000, 0.0001635800000000, 0.0001457600000000 ] - [ 0.0000766400000000, 0.0000211600000000, 0.0002121400000000 ] - [ -0.0000223200000000, 0.0013378600000000, -0.0000088500000000 ] - [ -0.0000769200000000, -0.0000111000000000, -0.0000381400000000 ] - [ -0.0000639700000000, -0.0000065400000000, 0.0000331600000000 ] - [ 0.0000699200000000, -0.0010830100000000, -0.0001191600000000 ] - [ -0.0000948800000000, -0.0000035200000000, -0.0001010800000000 ] - [ -0.0001505300000000, 0.0000004500000000, 0.0000806100000000 ] - [ -0.0000610700000000, 0.0000100000000000, 0.0000560700000000 ] - [ -0.0000440900000000, 0.0000062600000000, 0.0000110800000000 ] - [ -0.0000185800000000, -0.0000059100000000, 0.0000779800000000 ] - [ -0.0000312100000000, -0.0000022200000000, -0.0000307500000000 ] - [ -0.0000092300000000, -0.0000613100000000, -0.0000656400000000 ] - [ -0.0000222100000000, -0.0000095300000000, -0.0000498100000000 ] - [ 0.0000086400000000, 0.0001110600000000, 0.0000161600000000 ] - [ 0.0000641800000000, -0.0000057300000000, 0.0000149200000000 ] - [ -0.0000091600000000, 0.0000591100000000, -0.0000686400000000 ] - [ -0.0000164300000000, -0.0000016700000000, 0.0000271800000000 ] - [ 0.0000082000000000, -0.0001132200000000, 0.0000177400000000 ] - [ -0.0000852200000000, 0.0000083100000000, 0.0000187200000000 ] - [ -0.0000906300000000, 0.0000135800000000, 0.0000441800000000 ] - [ -0.0000793300000000, -0.0000002100000000, -0.0000798100000000 ] - [ 0.0000332800000000, 0.0000016500000000, 0.0001114100000000 ] - [ 0.0001309000000000, 0.0000204200000000, -0.0000308600000000 ] - [ -0.0000756400000000, -0.0000352600000000, -0.0001344000000000 ] - [ 0.0000124000000000, -0.0000138000000000, 0.0000407800000000 ] - [ 0.0000398200000000, -0.0000019000000000, 0.0000940800000000 ] - [ 0.0000414600000000, -0.0000229500000000, 0.0000088400000000 ] - [ 0.0002090600000000, 0.0001093700000000, -0.0000355200000000 ] - [ 0.0000254500000000, 0.0000223600000000, 0.0000178200000000 ] - [ -0.0005850500000000, 0.0001008900000000, 0.0012100300000000 ] - [ -0.0000158500000000, -0.0023616600000000, 0.0001318100000000 ] - [ -0.0001721600000000, 0.0000659400000000, 0.0000335300000000 ] - [ 0.0001477300000000, -0.0036775100000000, -0.0000443700000000 ] - [ 0.0000323500000000, 0.0000874700000000, -0.0002193300000000 ] - [ 0.0000139800000000, -0.0036235300000000, 0.0001183700000000 ] - [ 0.0000168800000000, -0.0022620100000000, -0.0000166900000000 ] - [ -0.0001282500000000, 0.0001331700000000, 0.0000751900000000 ] - [ 0.0002279200000000, 0.0000728500000000, -0.0000167600000000 ]- atom: 9 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0005754800000000, 0.0000000000000000, -0.0009697200000000 ] - [ 0.0001922600000000, 0.0000000000000000, 0.0008379900000000 ] - [ -0.0000218100000000, 0.0000000000000000, 0.0008498400000000 ] - [ -0.0000635300000000, 0.0000000000000000, 0.0009332100000000 ] - [ -0.0000476900000000, 0.0000000000000000, 0.0008687000000000 ] - [ 0.0000598400000000, 0.0000000000000000, 0.0009896800000000 ] - [ -0.0004850500000000, 0.0000000000000000, 0.0005892000000000 ] - [ -0.0000466400000000, 0.0000000000000000, 0.0011154000000000 ] - [ -0.0118347400000000, 0.0000000000000000, -0.0808137300000000 ] - [ -0.0089609600000000, 0.0000000000000000, 0.0070049100000000 ] - [ 0.0022940200000000, 0.0000000000000000, 0.0007230800000000 ] - [ -0.0006079600000000, 0.0000000000000000, 0.0007266100000000 ] - [ -0.0000921800000000, 0.0000000000000000, 0.0008780800000000 ] - [ -0.0001057800000000, 0.0000000000000000, 0.0011523200000000 ] - [ 0.0000436500000000, 0.0000000000000000, 0.0008451900000000 ] - [ 0.0000766200000000, 0.0000000000000000, 0.0010106400000000 ] - [ 0.0004236300000000, 0.0000000000000000, 0.0009673000000000 ] - [ 0.0000708200000000, 0.0000000000000000, 0.0008432600000000 ] - [ -0.0004013400000000, 0.0000000000000000, -0.0040069600000000 ] - [ 0.0009153500000000, 0.0000000000000000, -0.0009144100000000 ] - [ -0.0019612100000000, 0.0000000000000000, -0.0001636400000000 ] - [ 0.0008304700000000, 0.0000000000000000, -0.0015004100000000 ] - [ 0.0005230000000000, -0.0001200900000000, 0.0008074800000000 ] - [ -0.0001134400000000, 0.0000000000000000, 0.0014270900000000 ] - [ 0.0005230000000000, 0.0001200900000000, 0.0008074800000000 ] - [ 0.0000204400000000, 0.0000249100000000, 0.0013990600000000 ] - [ -0.0001441100000000, 0.0000000000000000, 0.0016163300000000 ] - [ -0.0001086200000000, 0.0000000000000000, 0.0014683700000000 ] - [ -0.0000189700000000, -0.0000438800000000, 0.0013269200000000 ] - [ 0.0004285600000000, 0.0000000000000000, 0.0015897700000000 ] - [ -0.0004846600000000, 0.0000000000000000, 0.0013829200000000 ] - [ 0.0000448900000000, -0.0000876100000000, 0.0013137000000000 ] - [ 0.0000665200000000, 0.0001118200000000, 0.0014090400000000 ] - [ -0.0000904200000000, 0.0000000000000000, 0.0014822300000000 ] - [ -0.0007346900000000, 0.0004778000000000, 0.0022210900000000 ] - [ 0.0038997000000000, 0.0000000000000000, 0.0013183900000000 ] - [ -0.0007346900000000, -0.0004778000000000, 0.0022210900000000 ] - [ 0.0006084400000000, 0.0047449700000000, -0.0146642200000000 ] - [ 0.0004954500000000, -0.0053461600000000, -0.0140977000000000 ] - [ 0.0045743600000000, 0.0000000000000000, 0.0074180200000000 ] - [ 0.0043411500000000, 0.0000000000000000, 0.0073535400000000 ] - [ -0.0139659200000000, 0.0000000000000000, 0.0121793800000000 ] - [ -0.0004849400000000, 0.0004508600000000, 0.0022052600000000 ] - [ -0.0002780900000000, 0.0000000000000000, 0.0016788200000000 ] - [ -0.0004849400000000, -0.0004508600000000, 0.0022052600000000 ] - [ -0.0000189700000000, 0.0000438800000000, 0.0013269200000000 ] - [ 0.0000728900000000, 0.0000000000000000, 0.0013955500000000 ] - [ -0.0000658900000000, 0.0000000000000000, 0.0014777500000000 ] - [ 0.0000204400000000, -0.0000249100000000, 0.0013990600000000 ] - [ -0.0002872500000000, 0.0000000000000000, 0.0012547900000000 ] - [ 0.0001630800000000, 0.0000000000000000, 0.0015885800000000 ] - [ 0.0000665200000000, -0.0001118200000000, 0.0014090400000000 ] - [ 0.0000448900000000, 0.0000876100000000, 0.0013137000000000 ] - [ -0.0001180600000000, 0.0000000000000000, 0.0014723800000000 ] - [ 0.0008581300000000, 0.0000756200000000, 0.0007621100000000 ] - [ 0.0010598900000000, 0.0000000000000000, -0.0017259100000000 ] - [ 0.0008581300000000, -0.0000756200000000, 0.0007621100000000 ] - [ 0.0004954500000000, 0.0053461600000000, -0.0140977000000000 ] - [ 0.0006084400000000, -0.0047449700000000, -0.0146642200000000 ] - [ -0.0016322100000000, 0.0000000000000000, -0.0002949400000000 ] - [ -0.0010656400000000, 0.0012249700000000, -0.0007253600000000 ] - [ -0.0002532800000000, 0.0000000000000000, -0.0009581800000000 ] - [ 0.0010336000000000, 0.0001968800000000, -0.0008301900000000 ] - [ 0.0000371200000000, 0.0000000000000000, 0.0001147600000000 ] - [ 0.0002626300000000, 0.0000000000000000, -0.0010219700000000 ] - [ -0.0001815700000000, 0.0000829300000000, -0.0007492600000000 ] - [ -0.0000014500000000, 0.0000000000000000, -0.0001405800000000 ] - [ 0.0000428000000000, -0.0000484800000000, -0.0006573500000000 ] - [ -0.0000949300000000, 0.0000000000000000, -0.0011086300000000 ] - [ -0.0001815700000000, -0.0000829300000000, -0.0007492600000000 ] - [ 0.0000527200000000, 0.0000000000000000, -0.0008951400000000 ] - [ 0.0000428000000000, 0.0000484800000000, -0.0006573500000000 ] - [ 0.0001267700000000, 0.0000000000000000, -0.0008886000000000 ] - [ -0.0000980000000000, 0.0000229900000000, -0.0008943900000000 ] - [ 0.0000672300000000, 0.0000000000000000, -0.0011895500000000 ] - [ -0.0000858800000000, 0.0000258500000000, -0.0008145800000000 ] - [ 0.0000620600000000, 0.0000000000000000, -0.0012579400000000 ] - [ -0.0001401400000000, -0.0000330700000000, -0.0009199400000000 ] - [ 0.0001438900000000, 0.0000000000000000, -0.0008627400000000 ] - [ -0.0001197600000000, -0.0000184400000000, -0.0008333700000000 ] - [ 0.0001490600000000, 0.0000000000000000, -0.0008347100000000 ] - [ -0.0003638500000000, 0.0000604800000000, -0.0012124300000000 ] - [ -0.0000270800000000, 0.0000000000000000, -0.0012987000000000 ] - [ -0.0000493800000000, -0.0001009400000000, -0.0007950500000000 ] - [ -0.0002199700000000, 0.0000000000000000, -0.0019016100000000 ] - [ 0.0000572400000000, -0.0000443900000000, -0.0006097600000000 ] - [ 0.0004393500000000, 0.0000000000000000, -0.0009152700000000 ] - [ -0.0000493800000000, 0.0001009400000000, -0.0007950500000000 ] - [ 0.0006550600000000, 0.0000000000000000, -0.0033058600000000 ] - [ 0.0003241300000000, -0.0045487200000000, 0.0146827500000000 ] - [ 0.0004596500000000, 0.0000000000000000, -0.0014432700000000 ] - [ -0.0009833600000000, -0.0007954800000000, -0.0008705500000000 ] - [ 0.0049995100000000, 0.0000000000000000, 0.0165880900000000 ] - [ 0.0003241300000000, 0.0045487200000000, 0.0146827500000000 ] - [ 0.0015237900000000, 0.0000000000000000, 0.0035475800000000 ] - [ 0.0012517200000000, -0.0002192400000000, -0.0005666300000000 ] - [ 0.0022062100000000, 0.0000000000000000, 0.0045793900000000 ] - [ 0.0067713500000000, 0.0000000000000000, 0.0181893300000000 ] - [ 0.0042432900000000, 0.0010899300000000, 0.0115467400000000 ] - [ 0.0042432900000000, -0.0010899300000000, 0.0115467400000000 ] - [ 0.0010336000000000, -0.0001968800000000, -0.0008301900000000 ] - [ 0.0002548700000000, 0.0000000000000000, -0.0013523400000000 ] - [ -0.0010656400000000, -0.0012249700000000, -0.0007253600000000 ] - [ 0.0004195400000000, 0.0000000000000000, -0.0029331500000000 ] - [ -0.0001606800000000, 0.0000000000000000, -0.0006964200000000 ] - [ -0.0001646400000000, 0.0000953700000000, -0.0008506900000000 ] - [ -0.0002244500000000, 0.0000000000000000, -0.0016470400000000 ] - [ -0.0003872400000000, -0.0000263600000000, -0.0011024600000000 ] - [ -0.0001036800000000, 0.0000000000000000, -0.0011448200000000 ] - [ -0.0001646400000000, -0.0000953700000000, -0.0008506900000000 ] - [ 0.0001860000000000, 0.0000000000000000, -0.0008543600000000 ] - [ -0.0003872400000000, 0.0000263600000000, -0.0011024600000000 ] - [ 0.0001244500000000, 0.0000000000000000, -0.0009185600000000 ] - [ -0.0001401400000000, 0.0000330700000000, -0.0009199400000000 ] - [ -0.0000200000000000, 0.0000000000000000, -0.0012896600000000 ] - [ -0.0001197600000000, 0.0000184400000000, -0.0008333700000000 ] - [ 0.0001572700000000, 0.0000000000000000, -0.0011031000000000 ] - [ -0.0000980000000000, -0.0000229900000000, -0.0008943900000000 ] - [ 0.0001345200000000, 0.0000000000000000, -0.0008276500000000 ] - [ -0.0000858800000000, -0.0000258500000000, -0.0008145800000000 ] - [ 0.0000088100000000, 0.0000000000000000, -0.0009049300000000 ] - [ 0.0000572400000000, 0.0000443900000000, -0.0006097600000000 ] - [ -0.0000269000000000, 0.0000000000000000, -0.0012608700000000 ] - [ -0.0000987400000000, -0.0000914600000000, -0.0006912300000000 ] - [ -0.0000342200000000, 0.0000000000000000, 0.0003726900000000 ] - [ -0.0003638500000000, -0.0000604800000000, -0.0012124300000000 ] - [ -0.0001658700000000, 0.0000000000000000, -0.0006297200000000 ] - [ -0.0000987400000000, 0.0000914600000000, -0.0006912300000000 ] - [ -0.0000598600000000, 0.0000000000000000, 0.0001598300000000 ] - [ -0.0013852300000000, -0.0007729800000000, 0.0019290300000000 ] - [ -0.0001772300000000, 0.0000000000000000, -0.0011066600000000 ] - [ 0.0012517200000000, 0.0002192400000000, -0.0005666300000000 ] - [ 0.0022943600000000, 0.0000000000000000, 0.0030951400000000 ] - [ -0.0013852300000000, 0.0007729800000000, 0.0019290300000000 ] - [ -0.0025870200000000, 0.0000000000000000, 0.0047229100000000 ] - [ -0.0009833600000000, 0.0007954800000000, -0.0008705500000000 ] - [ -0.0017460000000000, 0.0000000000000000, 0.0049350600000000 ] - [ 0.0023488000000000, 0.0000000000000000, 0.0029251300000000 ] - [ -0.0012508900000000, 0.0009395100000000, 0.0019882500000000 ] - [ -0.0012508900000000, -0.0009395100000000, 0.0019882500000000 ]- atom: 9 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0005078100000000, 0.0000000000000000, 0.0008189100000000 ] - [ -0.0003462000000000, 0.0000000000000000, -0.0008716300000000 ] - [ -0.0000955600000000, 0.0000000000000000, -0.0008676100000000 ] - [ -0.0001342700000000, 0.0000000000000000, -0.0008444200000000 ] - [ 0.0000329700000000, 0.0000000000000000, -0.0008988800000000 ] - [ 0.0000105600000000, 0.0000000000000000, -0.0009959300000000 ] - [ 0.0005276300000000, 0.0000000000000000, -0.0005546200000000 ] - [ 0.0000489300000000, 0.0000000000000000, -0.0011749000000000 ] - [ 0.0118322100000000, 0.0000000000000000, 0.0807408400000000 ] - [ 0.0090852700000000, 0.0000000000000000, -0.0069860800000000 ] - [ -0.0022081900000000, 0.0000000000000000, -0.0008693100000000 ] - [ 0.0004577200000000, 0.0000000000000000, -0.0007599100000000 ] - [ -0.0000242200000000, 0.0000000000000000, -0.0008959700000000 ] - [ -0.0000913600000000, 0.0000000000000000, -0.0010648700000000 ] - [ -0.0000573800000000, 0.0000000000000000, -0.0008751800000000 ] - [ -0.0000064300000000, 0.0000000000000000, -0.0010179000000000 ] - [ -0.0003783200000000, 0.0000000000000000, -0.0009317900000000 ] - [ -0.0000675000000000, 0.0000000000000000, -0.0009045200000000 ] - [ 0.0003542000000000, 0.0000000000000000, 0.0039330000000000 ] - [ -0.0006669900000000, 0.0000000000000000, 0.0008689700000000 ] - [ 0.0020754200000000, 0.0000000000000000, 0.0001433200000000 ] - [ -0.0006729400000000, 0.0000000000000000, 0.0014985800000000 ] - [ -0.0004901700000000, -0.0001820700000000, -0.0008318500000000 ] - [ -0.0001982900000000, 0.0000000000000000, -0.0013019400000000 ] - [ -0.0004901700000000, 0.0001820700000000, -0.0008318500000000 ] - [ -0.0000906300000000, 0.0001542200000000, -0.0014192400000000 ] - [ 0.0001410200000000, 0.0000000000000000, -0.0015735000000000 ] - [ 0.0000207700000000, 0.0000000000000000, -0.0014133900000000 ] - [ -0.0000509700000000, -0.0001353300000000, -0.0013464200000000 ] - [ -0.0003181400000000, 0.0000000000000000, -0.0017100000000000 ] - [ 0.0001436200000000, 0.0000000000000000, -0.0013732500000000 ] - [ 0.0000001100000000, 0.0000053400000000, -0.0013363400000000 ] - [ -0.0000210600000000, -0.0000291200000000, -0.0014313900000000 ] - [ -0.0000377100000000, 0.0000000000000000, -0.0014218600000000 ] - [ 0.0009982200000000, -0.0004915500000000, -0.0022536800000000 ] - [ -0.0040119900000000, 0.0000000000000000, -0.0013435000000000 ] - [ 0.0009982200000000, 0.0004915500000000, -0.0022536800000000 ] - [ -0.0006103400000000, -0.0047494000000000, 0.0145617700000000 ] - [ -0.0003940000000000, 0.0052937500000000, 0.0140374700000000 ] - [ -0.0043930800000000, 0.0000000000000000, -0.0073881300000000 ] - [ -0.0043040600000000, 0.0000000000000000, -0.0074331400000000 ] - [ 0.0143039200000000, 0.0000000000000000, -0.0122807100000000 ] - [ 0.0005254900000000, -0.0007631800000000, -0.0022359300000000 ] - [ -0.0000320600000000, 0.0000000000000000, -0.0015563800000000 ] - [ 0.0005254900000000, 0.0007631800000000, -0.0022359300000000 ] - [ -0.0000509700000000, 0.0001353300000000, -0.0013464200000000 ] - [ -0.0000745100000000, 0.0000000000000000, -0.0013549300000000 ] - [ -0.0000209000000000, 0.0000000000000000, -0.0014230200000000 ] - [ -0.0000906300000000, -0.0001542200000000, -0.0014192400000000 ] - [ 0.0003934300000000, 0.0000000000000000, -0.0013788200000000 ] - [ -0.0005076800000000, 0.0000000000000000, -0.0015813000000000 ] - [ -0.0000210600000000, 0.0000291200000000, -0.0014313900000000 ] - [ 0.0000001100000000, -0.0000053400000000, -0.0013363400000000 ] - [ -0.0000096600000000, 0.0000000000000000, -0.0014121300000000 ] - [ -0.0005844300000000, -0.0001034400000000, -0.0008016600000000 ] - [ -0.0011421000000000, 0.0000000000000000, 0.0017106900000000 ] - [ -0.0005844300000000, 0.0001034400000000, -0.0008016600000000 ] - [ -0.0003940000000000, -0.0052937500000000, 0.0140374700000000 ] - [ -0.0006103400000000, 0.0047494000000000, 0.0145617700000000 ] - [ 0.0017285400000000, 0.0000000000000000, 0.0002588800000000 ] - [ 0.0010204700000000, -0.0009511500000000, 0.0007095900000000 ] - [ 0.0000575300000000, 0.0000000000000000, 0.0012445900000000 ] - [ -0.0010837200000000, -0.0004749000000000, 0.0008122900000000 ] - [ -0.0000950400000000, 0.0000000000000000, -0.0001363200000000 ] - [ -0.0004171100000000, 0.0000000000000000, 0.0009422100000000 ] - [ 0.0000573800000000, -0.0001002300000000, 0.0008384000000000 ] - [ 0.0001454700000000, 0.0000000000000000, -0.0000989100000000 ] - [ -0.0001575000000000, 0.0000515900000000, 0.0006310700000000 ] - [ -0.0002044700000000, 0.0000000000000000, 0.0012685100000000 ] - [ 0.0000573800000000, 0.0001002300000000, 0.0008384000000000 ] - [ -0.0001406700000000, 0.0000000000000000, 0.0009184400000000 ] - [ -0.0001575000000000, -0.0000515900000000, 0.0006310700000000 ] - [ -0.0001886600000000, 0.0000000000000000, 0.0008250900000000 ] - [ 0.0000798100000000, -0.0001421500000000, 0.0007596100000000 ] - [ -0.0001136700000000, 0.0000000000000000, 0.0010894900000000 ] - [ 0.0001018200000000, 0.0001994800000000, 0.0008476400000000 ] - [ 0.0000682900000000, 0.0000000000000000, 0.0012877600000000 ] - [ 0.0001219500000000, 0.0001528500000000, 0.0007849100000000 ] - [ -0.0001759400000000, 0.0000000000000000, 0.0009182800000000 ] - [ 0.0001361100000000, -0.0002071400000000, 0.0008666600000000 ] - [ -0.0003196600000000, 0.0000000000000000, 0.0008696200000000 ] - [ 0.0003088100000000, -0.0000309500000000, 0.0011416700000000 ] - [ -0.0001332700000000, 0.0000000000000000, 0.0011380500000000 ] - [ 0.0001222600000000, 0.0001073500000000, 0.0009991000000000 ] - [ 0.0004895900000000, 0.0000000000000000, 0.0018573200000000 ] - [ -0.0001097800000000, 0.0000128800000000, 0.0005424300000000 ] - [ -0.0004119200000000, 0.0000000000000000, 0.0009994900000000 ] - [ 0.0001222600000000, -0.0001073500000000, 0.0009991000000000 ] - [ -0.0005701900000000, 0.0000000000000000, 0.0032871400000000 ] - [ -0.0004922500000000, 0.0042812400000000, -0.0144345200000000 ] - [ -0.0004071600000000, 0.0000000000000000, 0.0014727000000000 ] - [ 0.0012009900000000, 0.0009180600000000, 0.0008313700000000 ] - [ -0.0057658500000000, 0.0000000000000000, -0.0168271400000000 ] - [ -0.0004922500000000, -0.0042812400000000, -0.0144345200000000 ] - [ -0.0011947900000000, 0.0000000000000000, -0.0036264200000000 ] - [ -0.0010273500000000, 0.0000916800000000, 0.0005306400000000 ] - [ -0.0022260800000000, 0.0000000000000000, -0.0043552400000000 ] - [ -0.0059726100000000, 0.0000000000000000, -0.0177389200000000 ] - [ -0.0040023800000000, -0.0012891100000000, -0.0117188300000000 ] - [ -0.0040023800000000, 0.0012891100000000, -0.0117188300000000 ] - [ -0.0010837200000000, 0.0004749000000000, 0.0008122900000000 ] - [ -0.0004545200000000, 0.0000000000000000, 0.0016439200000000 ] - [ 0.0010204700000000, 0.0009511500000000, 0.0007095900000000 ] - [ -0.0004882000000000, 0.0000000000000000, 0.0029326500000000 ] - [ 0.0000088300000000, 0.0000000000000000, 0.0006155500000000 ] - [ 0.0000404600000000, -0.0001114200000000, 0.0009403600000000 ] - [ 0.0003646500000000, 0.0000000000000000, 0.0014048300000000 ] - [ 0.0002739900000000, 0.0000282700000000, 0.0010792300000000 ] - [ -0.0001953800000000, 0.0000000000000000, 0.0013048300000000 ] - [ 0.0000404600000000, 0.0001114200000000, 0.0009403600000000 ] - [ -0.0002744600000000, 0.0000000000000000, 0.0008774100000000 ] - [ 0.0002739900000000, -0.0000282700000000, 0.0010792300000000 ] - [ -0.0001869400000000, 0.0000000000000000, 0.0008550400000000 ] - [ 0.0001219500000000, -0.0001528500000000, 0.0007849100000000 ] - [ -0.0000263400000000, 0.0000000000000000, 0.0011901900000000 ] - [ 0.0001361100000000, 0.0002071400000000, 0.0008666600000000 ] - [ -0.0000267800000000, 0.0000000000000000, 0.0011333300000000 ] - [ 0.0000798100000000, 0.0001421500000000, 0.0007596100000000 ] - [ -0.0001671200000000, 0.0000000000000000, 0.0008834700000000 ] - [ 0.0001018200000000, -0.0001994800000000, 0.0008476400000000 ] - [ -0.0001811600000000, 0.0000000000000000, 0.0009400600000000 ] - [ -0.0001097800000000, -0.0000128800000000, 0.0005424300000000 ] - [ -0.0001332100000000, 0.0000000000000000, 0.0011009800000000 ] - [ 0.0001716800000000, 0.0000973000000000, 0.0008963100000000 ] - [ 0.0002986000000000, 0.0000000000000000, -0.0004278800000000 ] - [ 0.0003088100000000, 0.0000309500000000, 0.0011416700000000 ] - [ 0.0001908900000000, 0.0000000000000000, 0.0007138800000000 ] - [ 0.0001716800000000, -0.0000973000000000, 0.0008963100000000 ] - [ 0.0001380600000000, 0.0000000000000000, -0.0001401900000000 ] - [ 0.0014240700000000, 0.0008160100000000, -0.0019264100000000 ] - [ 0.0002250700000000, 0.0000000000000000, 0.0011411400000000 ] - [ -0.0010273500000000, -0.0000916800000000, 0.0005306400000000 ] - [ -0.0023237200000000, 0.0000000000000000, -0.0028430700000000 ] - [ 0.0014240700000000, -0.0008160100000000, -0.0019264100000000 ] - [ 0.0029136000000000, 0.0000000000000000, -0.0047961700000000 ] - [ 0.0012009900000000, -0.0009180600000000, 0.0008313700000000 ] - [ 0.0017328100000000, 0.0000000000000000, -0.0047174400000000 ] - [ -0.0023195000000000, 0.0000000000000000, -0.0029507400000000 ] - [ 0.0013470500000000, -0.0008858500000000, -0.0019298600000000 ] - [ 0.0013470500000000, 0.0008858500000000, -0.0019298600000000 ]- atom: 10 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0011493900000000, 0.0000000000000000, 0.0009736500000000 ] - [ -0.0002475500000000, 0.0000000000000000, 0.0000042500000000 ] - [ -0.0000780300000000, 0.0000000000000000, 0.0000374100000000 ] - [ -0.0001072800000000, 0.0000000000000000, 0.0001261200000000 ] - [ -0.0002075000000000, 0.0000000000000000, -0.0000360800000000 ] - [ 0.0000393400000000, 0.0000000000000000, 0.0000035800000000 ] - [ 0.0030539400000000, 0.0000000000000000, -0.0095406100000000 ] - [ -0.0011539700000000, 0.0000000000000000, 0.0005740000000000 ] - [ 0.0029128600000000, 0.0000000000000000, -0.0096114100000000 ] - [ -0.0825164000000000, 0.0000000000000000, -0.0073407700000000 ] - [ -0.0001047000000000, 0.0000000000000000, -0.0010989600000000 ] - [ 0.0001181500000000, 0.0000000000000000, -0.0000231700000000 ] - [ -0.0000230600000000, 0.0000000000000000, 0.0000119600000000 ] - [ -0.0001090000000000, 0.0000000000000000, 0.0000604200000000 ] - [ 0.0002244600000000, 0.0000000000000000, 0.0000241100000000 ] - [ 0.0000268300000000, 0.0000000000000000, 0.0000861100000000 ] - [ 0.0012907100000000, 0.0000000000000000, 0.0005852700000000 ] - [ 0.0004885800000000, 0.0000000000000000, -0.0005365900000000 ] - [ 0.0012946300000000, 0.0000000000000000, 0.0005627600000000 ] - [ 0.0024393200000000, 0.0000000000000000, -0.0007456800000000 ] - [ 0.0008244400000000, 0.0000000000000000, 0.0000061200000000 ] - [ -0.0015829300000000, 0.0000000000000000, 0.0010066600000000 ] - [ -0.0000955300000000, -0.0000778500000000, 0.0003241100000000 ] - [ -0.0001810100000000, 0.0000000000000000, 0.0001777300000000 ] - [ -0.0000955300000000, 0.0000778500000000, 0.0003241100000000 ] - [ -0.0000392000000000, 0.0000861200000000, 0.0000501300000000 ] - [ -0.0004725700000000, 0.0000000000000000, 0.0001296100000000 ] - [ -0.0001496600000000, 0.0000000000000000, 0.0000777200000000 ] - [ -0.0000353600000000, -0.0000871500000000, 0.0000430900000000 ] - [ 0.0018788600000000, 0.0000000000000000, 0.0017786400000000 ] - [ -0.0000560800000000, 0.0000000000000000, 0.0000719300000000 ] - [ 0.0001290100000000, 0.0000474900000000, -0.0001911400000000 ] - [ -0.0001568100000000, 0.0000748100000000, 0.0003236600000000 ] - [ -0.0001153500000000, 0.0000000000000000, 0.0001206300000000 ] - [ -0.0094963700000000, 0.0072973000000000, 0.0071782700000000 ] - [ 0.0034936900000000, 0.0000000000000000, 0.0000106800000000 ] - [ -0.0094963700000000, -0.0072973000000000, 0.0071782700000000 ] - [ 0.0030123800000000, 0.0008049000000000, -0.0008952500000000 ] - [ -0.0093264800000000, -0.0070809300000000, 0.0069998700000000 ] - [ 0.0121525600000000, 0.0000000000000000, -0.0000867100000000 ] - [ -0.0004418700000000, 0.0000000000000000, 0.0001453100000000 ] - [ 0.0006265300000000, 0.0000000000000000, -0.0009109300000000 ] - [ 0.0000535200000000, -0.0001108800000000, -0.0001706200000000 ] - [ -0.0001111400000000, 0.0000000000000000, 0.0000819400000000 ] - [ 0.0000535200000000, 0.0001108800000000, -0.0001706200000000 ] - [ -0.0000353600000000, 0.0000871500000000, 0.0000430900000000 ] - [ 0.0006536400000000, 0.0000000000000000, 0.0001098700000000 ] - [ 0.0001010600000000, 0.0000000000000000, 0.0001056100000000 ] - [ -0.0000392000000000, -0.0000861200000000, 0.0000501300000000 ] - [ 0.0000942300000000, 0.0000000000000000, -0.0017887700000000 ] - [ -0.0002836900000000, 0.0000000000000000, 0.0000564000000000 ] - [ -0.0001568100000000, -0.0000748100000000, 0.0003236600000000 ] - [ 0.0001290100000000, -0.0000474900000000, -0.0001911400000000 ] - [ -0.0000349200000000, 0.0000000000000000, 0.0000385600000000 ] - [ 0.0032962300000000, 0.0005992800000000, -0.0009420600000000 ] - [ 0.0120137400000000, 0.0000000000000000, 0.0000116000000000 ] - [ 0.0032962300000000, -0.0005992800000000, -0.0009420600000000 ] - [ -0.0093264800000000, 0.0070809300000000, 0.0069998700000000 ] - [ 0.0030123800000000, -0.0008049000000000, -0.0008952500000000 ] - [ 0.0036115100000000, 0.0000000000000000, 0.0001690800000000 ] - [ 0.0003308400000000, 0.0001214800000000, -0.0001091500000000 ] - [ -0.0000262000000000, 0.0000000000000000, 0.0000189100000000 ] - [ -0.0002689400000000, -0.0002357400000000, 0.0001400100000000 ] - [ -0.0003423300000000, 0.0000000000000000, -0.0005984400000000 ] - [ -0.0001594500000000, 0.0000000000000000, 0.0000008400000000 ] - [ -0.0000552500000000, -0.0000048700000000, -0.0000027800000000 ] - [ -0.0000724200000000, 0.0000000000000000, -0.0004954100000000 ] - [ -0.0001569400000000, 0.0000153600000000, -0.0001179800000000 ] - [ -0.0001274400000000, 0.0000000000000000, 0.0000418900000000 ] - [ -0.0000552500000000, 0.0000048700000000, -0.0000027800000000 ] - [ -0.0000101000000000, 0.0000000000000000, -0.0000229200000000 ] - [ -0.0001569400000000, -0.0000153600000000, -0.0001179800000000 ] - [ -0.0000133300000000, 0.0000000000000000, -0.0000697700000000 ] - [ 0.0000730000000000, -0.0000935400000000, -0.0000214900000000 ] - [ -0.0000510700000000, 0.0000000000000000, -0.0001226300000000 ] - [ -0.0000095000000000, 0.0001118000000000, -0.0000004400000000 ] - [ -0.0000590400000000, 0.0000000000000000, -0.0005877700000000 ] - [ -0.0000988900000000, 0.0000429900000000, -0.0001850900000000 ] - [ 0.0000799800000000, 0.0000000000000000, -0.0000656900000000 ] - [ 0.0000100700000000, -0.0001108000000000, -0.0000354000000000 ] - [ 0.0000968400000000, 0.0000000000000000, 0.0001647500000000 ] - [ -0.0007691700000000, -0.0007834700000000, -0.0022248300000000 ] - [ -0.0000162800000000, 0.0000000000000000, -0.0001895900000000 ] - [ 0.0003815800000000, -0.0000277100000000, 0.0000484500000000 ] - [ 0.0021859000000000, 0.0000000000000000, -0.0023323900000000 ] - [ -0.0005192600000000, 0.0001043900000000, 0.0011380500000000 ] - [ 0.0020079600000000, 0.0000000000000000, 0.0017336700000000 ] - [ 0.0003815800000000, 0.0000277100000000, 0.0000484500000000 ] - [ 0.0176133100000000, 0.0000000000000000, 0.0030491500000000 ] - [ 0.0127511500000000, -0.0037005900000000, -0.0016876100000000 ] - [ 0.0029753500000000, 0.0000000000000000, 0.0000544300000000 ] - [ -0.0030816300000000, -0.0011369900000000, -0.0005146400000000 ] - [ 0.0027410600000000, 0.0000000000000000, 0.0001810900000000 ] - [ 0.0127511500000000, 0.0037005900000000, -0.0016876100000000 ] - [ 0.0182696300000000, 0.0000000000000000, 0.0034491300000000 ] - [ 0.0124043000000000, -0.0031589400000000, -0.0011955900000000 ] - [ -0.0014465600000000, 0.0000000000000000, 0.0003694500000000 ] - [ -0.0035715400000000, 0.0000000000000000, 0.0024624300000000 ] - [ -0.0003961500000000, 0.0000595300000000, 0.0012683400000000 ] - [ -0.0003961500000000, -0.0000595300000000, 0.0012683400000000 ] - [ -0.0002689400000000, 0.0002357400000000, 0.0001400100000000 ] - [ -0.0001231300000000, 0.0000000000000000, 0.0001609000000000 ] - [ 0.0003308400000000, -0.0001214800000000, -0.0001091500000000 ] - [ 0.0002618000000000, 0.0000000000000000, 0.0001894300000000 ] - [ -0.0000246200000000, 0.0000000000000000, -0.0001386500000000 ] - [ -0.0000674000000000, -0.0000109500000000, 0.0000301100000000 ] - [ 0.0001354400000000, 0.0000000000000000, 0.0001674500000000 ] - [ 0.0000119000000000, 0.0000242700000000, 0.0000045400000000 ] - [ -0.0001618800000000, 0.0000000000000000, 0.0000158800000000 ] - [ -0.0000674000000000, 0.0000109500000000, 0.0000301100000000 ] - [ -0.0000610700000000, 0.0000000000000000, -0.0000204100000000 ] - [ 0.0000119000000000, -0.0000242700000000, 0.0000045400000000 ] - [ -0.0000571400000000, 0.0000000000000000, -0.0000769100000000 ] - [ -0.0000988900000000, -0.0000429900000000, -0.0001850900000000 ] - [ -0.0000189300000000, 0.0000000000000000, -0.0001104800000000 ] - [ 0.0000100700000000, 0.0001108000000000, -0.0000354000000000 ] - [ 0.0001146800000000, 0.0000000000000000, 0.0005118500000000 ] - [ 0.0000730000000000, 0.0000935400000000, -0.0000214900000000 ] - [ -0.0001083200000000, 0.0000000000000000, 0.0000874900000000 ] - [ -0.0000095000000000, -0.0001118000000000, -0.0000004400000000 ] - [ -0.0002246200000000, 0.0000000000000000, -0.0004558800000000 ] - [ -0.0005192600000000, -0.0001043900000000, 0.0011380500000000 ] - [ -0.0001339800000000, 0.0000000000000000, -0.0000742400000000 ] - [ -0.0002342300000000, -0.0000271700000000, 0.0001891800000000 ] - [ -0.0035453400000000, 0.0000000000000000, 0.0024628700000000 ] - [ -0.0007691700000000, 0.0007834700000000, -0.0022248300000000 ] - [ -0.0015621300000000, 0.0000000000000000, 0.0004232500000000 ] - [ -0.0002342300000000, 0.0000271700000000, 0.0001891800000000 ] - [ -0.0027637000000000, 0.0000000000000000, 0.0007506500000000 ] - [ -0.0031544600000000, 0.0011524200000000, -0.0005144900000000 ] - [ -0.0010234500000000, 0.0000000000000000, -0.0001102100000000 ] - [ 0.0124043000000000, 0.0031589400000000, -0.0011955900000000 ] - [ -0.0010107800000000, 0.0000000000000000, 0.0000379900000000 ] - [ -0.0031544600000000, -0.0011524200000000, -0.0005144900000000 ] - [ -0.0025391600000000, 0.0000000000000000, 0.0007207800000000 ] - [ -0.0030816300000000, 0.0011369900000000, -0.0005146400000000 ] - [ 0.0022334000000000, 0.0000000000000000, 0.0019712600000000 ] - [ 0.0019852700000000, 0.0000000000000000, -0.0022688100000000 ] - [ -0.0004716200000000, 0.0010533300000000, -0.0022859100000000 ] - [ -0.0004716200000000, -0.0010533300000000, -0.0022859100000000 ]- atom: 10 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0010769800000000, 0.0000000000000000, -0.0011306700000000 ] - [ 0.0000971800000000, 0.0000000000000000, -0.0000391800000000 ] - [ -0.0000327000000000, 0.0000000000000000, -0.0000553400000000 ] - [ -0.0000942300000000, 0.0000000000000000, -0.0000292300000000 ] - [ 0.0001958000000000, 0.0000000000000000, 0.0000063100000000 ] - [ 0.0000336900000000, 0.0000000000000000, -0.0000025600000000 ] - [ -0.0030005300000000, 0.0000000000000000, 0.0096645600000000 ] - [ 0.0011590700000000, 0.0000000000000000, -0.0006344900000000 ] - [ -0.0029786800000000, 0.0000000000000000, 0.0094496800000000 ] - [ 0.0828173100000000, 0.0000000000000000, 0.0073854700000000 ] - [ 0.0001706200000000, 0.0000000000000000, 0.0009473900000000 ] - [ -0.0002684800000000, 0.0000000000000000, -0.0000107100000000 ] - [ -0.0000856400000000, 0.0000000000000000, -0.0000305000000000 ] - [ -0.0000934500000000, 0.0000000000000000, 0.0000361400000000 ] - [ -0.0002329700000000, 0.0000000000000000, -0.0000545800000000 ] - [ 0.0000450500000000, 0.0000000000000000, -0.0000862500000000 ] - [ -0.0012499800000000, 0.0000000000000000, -0.0005384600000000 ] - [ -0.0004827400000000, 0.0000000000000000, 0.0004792700000000 ] - [ -0.0013456100000000, 0.0000000000000000, -0.0006475600000000 ] - [ -0.0021957900000000, 0.0000000000000000, 0.0006987900000000 ] - [ -0.0006855100000000, 0.0000000000000000, -0.0000446000000000 ] - [ 0.0017361000000000, 0.0000000000000000, -0.0010470200000000 ] - [ 0.0001340300000000, -0.0002061300000000, -0.0003402100000000 ] - [ -0.0001219100000000, 0.0000000000000000, -0.0000454100000000 ] - [ 0.0001340300000000, 0.0002061300000000, -0.0003402100000000 ] - [ -0.0000329500000000, 0.0000912900000000, -0.0000685600000000 ] - [ 0.0004626900000000, 0.0000000000000000, -0.0000915100000000 ] - [ 0.0000682000000000, 0.0000000000000000, -0.0000187000000000 ] - [ -0.0000368500000000, -0.0000900800000000, -0.0000623800000000 ] - [ -0.0017707300000000, 0.0000000000000000, -0.0018941000000000 ] - [ -0.0002974900000000, 0.0000000000000000, -0.0000619600000000 ] - [ -0.0000855500000000, -0.0001327600000000, 0.0001680400000000 ] - [ 0.0001997200000000, 0.0000104300000000, -0.0003460900000000 ] - [ -0.0000228600000000, 0.0000000000000000, -0.0000694900000000 ] - [ 0.0097141000000000, -0.0073269800000000, -0.0072230700000000 ] - [ -0.0035990500000000, 0.0000000000000000, -0.0000594400000000 ] - [ 0.0097141000000000, 0.0073269800000000, -0.0072230700000000 ] - [ -0.0029590900000000, -0.0007496000000000, 0.0007956600000000 ] - [ 0.0094353800000000, 0.0070355700000000, -0.0070765400000000 ] - [ -0.0119737300000000, 0.0000000000000000, 0.0001155800000000 ] - [ 0.0005810400000000, 0.0000000000000000, -0.0001797400000000 ] - [ -0.0004796300000000, 0.0000000000000000, 0.0008661100000000 ] - [ -0.0000157400000000, -0.0001731900000000, 0.0001547600000000 ] - [ -0.0001915100000000, 0.0000000000000000, 0.0000505400000000 ] - [ -0.0000157400000000, 0.0001731900000000, 0.0001547600000000 ] - [ -0.0000368500000000, 0.0000900800000000, -0.0000623800000000 ] - [ -0.0006651900000000, 0.0000000000000000, -0.0000694800000000 ] - [ -0.0001812300000000, 0.0000000000000000, -0.0000456400000000 ] - [ -0.0000329500000000, -0.0000912900000000, -0.0000685600000000 ] - [ 0.0000239500000000, 0.0000000000000000, 0.0016642000000000 ] - [ -0.0000692000000000, 0.0000000000000000, -0.0000468200000000 ] - [ 0.0001997200000000, -0.0000104300000000, -0.0003460900000000 ] - [ -0.0000855500000000, 0.0001327600000000, 0.0001680400000000 ] - [ -0.0001025500000000, 0.0000000000000000, 0.0000135400000000 ] - [ -0.0030239300000000, -0.0006408600000000, 0.0009226700000000 ] - [ -0.0121769900000000, 0.0000000000000000, -0.0000831600000000 ] - [ -0.0030239300000000, 0.0006408600000000, 0.0009226700000000 ] - [ 0.0094353800000000, -0.0070355700000000, -0.0070765400000000 ] - [ -0.0029590900000000, 0.0007496000000000, 0.0007956600000000 ] - [ -0.0034927600000000, 0.0000000000000000, -0.0001611300000000 ] - [ -0.0003745300000000, 0.0001622300000000, 0.0000862000000000 ] - [ -0.0001624600000000, 0.0000000000000000, 0.0002663400000000 ] - [ 0.0002261400000000, -0.0000497000000000, -0.0001614900000000 ] - [ 0.0002877700000000, 0.0000000000000000, 0.0005733300000000 ] - [ -0.0000149100000000, 0.0000000000000000, -0.0000892400000000 ] - [ -0.0000656800000000, -0.0000155600000000, 0.0000928400000000 ] - [ 0.0002075200000000, 0.0000000000000000, 0.0002529600000000 ] - [ 0.0000373700000000, 0.0000015600000000, 0.0000901900000000 ] - [ -0.0001699600000000, 0.0000000000000000, 0.0001128000000000 ] - [ -0.0000656800000000, 0.0000155600000000, 0.0000928400000000 ] - [ -0.0000759800000000, 0.0000000000000000, 0.0000474500000000 ] - [ 0.0000373700000000, -0.0000015600000000, 0.0000901900000000 ] - [ -0.0000583800000000, 0.0000000000000000, 0.0000009700000000 ] - [ -0.0000842500000000, -0.0000374100000000, -0.0001082600000000 ] - [ -0.0000066100000000, 0.0000000000000000, 0.0000041600000000 ] - [ 0.0000207200000000, 0.0001131400000000, 0.0000315100000000 ] - [ 0.0001914700000000, 0.0000000000000000, 0.0006089400000000 ] - [ 0.0000874200000000, 0.0000874500000000, 0.0000549000000000 ] - [ -0.0001183700000000, 0.0000000000000000, 0.0001235600000000 ] - [ 0.0000022700000000, -0.0001141200000000, 0.0000667100000000 ] - [ -0.0002625800000000, 0.0000000000000000, -0.0001338900000000 ] - [ 0.0007220300000000, 0.0008063200000000, 0.0021576500000000 ] - [ -0.0001500600000000, 0.0000000000000000, 0.0000290000000000 ] - [ -0.0003162200000000, 0.0000207300000000, 0.0001515300000000 ] - [ -0.0019106100000000, 0.0000000000000000, 0.0022789800000000 ] - [ 0.0004644300000000, -0.0001291300000000, -0.0012027200000000 ] - [ -0.0019846500000000, 0.0000000000000000, -0.0016439700000000 ] - [ -0.0003162200000000, -0.0000207300000000, 0.0001515300000000 ] - [ -0.0164859800000000, 0.0000000000000000, -0.0022468700000000 ] - [ -0.0126301700000000, 0.0035739000000000, 0.0015526700000000 ] - [ -0.0029197800000000, 0.0000000000000000, -0.0000164700000000 ] - [ 0.0032978000000000, 0.0012376700000000, 0.0004599800000000 ] - [ -0.0027770300000000, 0.0000000000000000, 0.0000892700000000 ] - [ -0.0126301700000000, -0.0035739000000000, 0.0015526700000000 ] - [ -0.0190265600000000, 0.0000000000000000, -0.0043617500000000 ] - [ -0.0122724100000000, 0.0032102500000000, 0.0012846300000000 ] - [ 0.0014012400000000, 0.0000000000000000, -0.0001240500000000 ] - [ 0.0035900100000000, 0.0000000000000000, -0.0024525000000000 ] - [ 0.0005132500000000, 0.0000061300000000, -0.0012032000000000 ] - [ 0.0005132500000000, -0.0000061300000000, -0.0012032000000000 ] - [ 0.0002261400000000, 0.0000497000000000, -0.0001614900000000 ] - [ -0.0000661400000000, 0.0000000000000000, 0.0001213700000000 ] - [ -0.0003745300000000, -0.0001622300000000, 0.0000862000000000 ] - [ -0.0003164100000000, 0.0000000000000000, -0.0002149300000000 ] - [ -0.0001489400000000, 0.0000000000000000, 0.0000502400000000 ] - [ -0.0000523000000000, -0.0000133100000000, 0.0000607500000000 ] - [ 0.0000009800000000, 0.0000000000000000, -0.0004114100000000 ] - [ -0.0001315300000000, -0.0000082200000000, -0.0000326400000000 ] - [ -0.0001357700000000, 0.0000000000000000, 0.0001391500000000 ] - [ -0.0000523000000000, 0.0000133100000000, 0.0000607500000000 ] - [ -0.0000287300000000, 0.0000000000000000, 0.0000461800000000 ] - [ -0.0001315300000000, 0.0000082200000000, -0.0000326400000000 ] - [ -0.0000128700000000, 0.0000000000000000, 0.0000091000000000 ] - [ 0.0000874200000000, -0.0000874500000000, 0.0000549000000000 ] - [ -0.0000384500000000, 0.0000000000000000, -0.0000078300000000 ] - [ 0.0000022700000000, 0.0001141200000000, 0.0000667100000000 ] - [ 0.0000161400000000, 0.0000000000000000, -0.0004897400000000 ] - [ -0.0000842500000000, 0.0000374100000000, -0.0001082600000000 ] - [ 0.0000696000000000, 0.0000000000000000, -0.0000292100000000 ] - [ 0.0000207200000000, -0.0001131400000000, 0.0000315100000000 ] - [ 0.0000556500000000, 0.0000000000000000, 0.0004854900000000 ] - [ 0.0004644300000000, 0.0001291300000000, -0.0012027200000000 ] - [ -0.0000321100000000, 0.0000000000000000, -0.0000863300000000 ] - [ 0.0002997900000000, 0.0000244900000000, 0.0000100100000000 ] - [ 0.0038386100000000, 0.0000000000000000, -0.0025421700000000 ] - [ 0.0007220300000000, -0.0008063200000000, 0.0021576500000000 ] - [ 0.0015845600000000, 0.0000000000000000, -0.0003463100000000 ] - [ 0.0002997900000000, -0.0000244900000000, 0.0000100100000000 ] - [ 0.0028358200000000, 0.0000000000000000, -0.0007381200000000 ] - [ 0.0031938600000000, -0.0011245900000000, 0.0005278300000000 ] - [ 0.0010686700000000, 0.0000000000000000, 0.0001439700000000 ] - [ -0.0122724100000000, -0.0032102500000000, 0.0012846300000000 ] - [ 0.0009831800000000, 0.0000000000000000, 0.0002349700000000 ] - [ 0.0031938600000000, 0.0011245900000000, 0.0005278300000000 ] - [ 0.0028830900000000, 0.0000000000000000, -0.0007929800000000 ] - [ 0.0032978000000000, -0.0012376700000000, 0.0004599800000000 ] - [ -0.0022821200000000, 0.0000000000000000, -0.0017387700000000 ] - [ -0.0019482500000000, 0.0000000000000000, 0.0022542500000000 ] - [ 0.0005813000000000, -0.0009924600000000, 0.0023537000000000 ] - [ 0.0005813000000000, 0.0009924600000000, 0.0023537000000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000330800000000, 0.0000582100000000, -0.0000763900000000 ] - [ -0.0000782000000000, -0.0000387000000000, -0.0000159800000000 ] - [ -0.0000589400000000, -0.0000023800000000, -0.0000090400000000 ] - [ -0.0000990200000000, -0.0000060900000000, 0.0000435400000000 ] - [ -0.0000073700000000, -0.0000338000000000, -0.0000153100000000 ] - [ 0.0000355500000000, -0.0000044400000000, -0.0000033600000000 ] - [ 0.0000304300000000, -0.0066974100000000, 0.0000037300000000 ] - [ 0.0000022100000000, -0.0000920600000000, -0.0000294900000000 ] - [ -0.0000333300000000, -0.0066346000000000, -0.0000228400000000 ] - [ 0.0000669100000000, -0.0797321900000000, 0.0000188000000000 ] - [ 0.0000345200000000, 0.0006816200000000, -0.0000759200000000 ] - [ -0.0000787000000000, -0.0000451300000000, -0.0000161400000000 ] - [ -0.0000584500000000, -0.0000016200000000, -0.0000090200000000 ] - [ -0.0000989100000000, -0.0000047400000000, 0.0000434500000000 ] - [ -0.0000065300000000, -0.0000322900000000, -0.0000150700000000 ] - [ 0.0000353700000000, -0.0000046600000000, -0.0000039800000000 ] - [ 0.0000295400000000, -0.0002083400000000, 0.0000225900000000 ] - [ 0.0000015200000000, -0.0003827300000000, -0.0000306700000000 ] - [ -0.0000326000000000, -0.0002080600000000, -0.0000414300000000 ] - [ 0.0001225500000000, -0.0001740600000000, -0.0000218500000000 ] - [ 0.0000589300000000, 0.0001287100000000, -0.0000169600000000 ] - [ 0.0000816300000000, -0.0001522100000000, -0.0000067500000000 ] - [ 0.0000582400000000, -0.0001473800000000, 0.0000131600000000 ] - [ -0.0001563800000000, 0.0000029400000000, 0.0000620800000000 ] - [ -0.0000209100000000, 0.0001514600000000, -0.0000388600000000 ] - [ -0.0000330400000000, 0.0000897600000000, -0.0000088300000000 ] - [ 0.0000000400000000, 0.0001752200000000, 0.0000223200000000 ] - [ -0.0000449900000000, 0.0000084000000000, 0.0000263900000000 ] - [ -0.0000360900000000, -0.0000906000000000, -0.0000114000000000 ] - [ 0.0000523400000000, 0.0001305600000000, -0.0000654600000000 ] - [ -0.0001692200000000, 0.0000141200000000, 0.0000048700000000 ] - [ 0.0000539900000000, -0.0000410800000000, 0.0000291900000000 ] - [ -0.0000100700000000, 0.0000429100000000, -0.0000353300000000 ] - [ -0.0000623400000000, 0.0000025600000000, 0.0000310200000000 ] - [ 0.0075371000000000, 0.0025760400000000, 0.0116551400000000 ] - [ 0.0000124300000000, 0.0180752300000000, -0.0000556200000000 ] - [ -0.0072389800000000, 0.0026441600000000, -0.0116080500000000 ] - [ 0.0007574600000000, 0.0000203100000000, 0.0000989900000000 ] - [ -0.0072931300000000, 0.0024869100000000, -0.0115543200000000 ] - [ 0.0000381900000000, -0.0005907500000000, -0.0000076700000000 ] - [ 0.0000598000000000, 0.0002026400000000, -0.0000185900000000 ] - [ 0.0000826300000000, -0.0006087600000000, -0.0000044900000000 ] - [ 0.0000611700000000, -0.0001497200000000, 0.0000303900000000 ] - [ -0.0001562200000000, 0.0000018900000000, 0.0000624400000000 ] - [ -0.0000230600000000, 0.0001490400000000, -0.0000554400000000 ] - [ -0.0000331700000000, 0.0000897900000000, -0.0000087900000000 ] - [ 0.0000012300000000, 0.0000924100000000, 0.0000211100000000 ] - [ -0.0000448300000000, 0.0000100700000000, 0.0000261800000000 ] - [ -0.0000359400000000, -0.0000905900000000, -0.0000113000000000 ] - [ 0.0000507200000000, 0.0013772300000000, -0.0000668500000000 ] - [ -0.0001690400000000, 0.0000094900000000, 0.0000048000000000 ] - [ 0.0000560000000000, -0.0000395700000000, 0.0000126900000000 ] - [ -0.0000093000000000, 0.0000418600000000, -0.0000532200000000 ] - [ -0.0000620800000000, 0.0000014000000000, 0.0000308100000000 ] - [ 0.0009114500000000, -0.0000072300000000, 0.0001462900000000 ] - [ -0.0000310400000000, -0.0005489200000000, -0.0000103000000000 ] - [ -0.0006401000000000, 0.0000201400000000, -0.0001841300000000 ] - [ 0.0073206700000000, 0.0025539400000000, 0.0113884000000000 ] - [ -0.0007055900000000, -0.0000051700000000, -0.0001831100000000 ] - [ -0.0000069200000000, 0.0182328700000000, 0.0000365300000000 ] - [ -0.0000805000000000, 0.0001675700000000, -0.0001236900000000 ] - [ -0.0000983800000000, 0.0000181700000000, 0.0001450700000000 ] - [ -0.0000980400000000, -0.0001700400000000, 0.0001262600000000 ] - [ -0.0000277600000000, 0.0000274600000000, -0.0000107400000000 ] - [ -0.0000769100000000, -0.0000125800000000, -0.0000383800000000 ] - [ -0.0000623900000000, -0.0000095500000000, 0.0000429000000000 ] - [ 0.0000738200000000, -0.0000180200000000, -0.0001201700000000 ] - [ -0.0000494200000000, 0.0000008600000000, -0.0000231200000000 ] - [ -0.0001504800000000, -0.0000008900000000, 0.0000797500000000 ] - [ -0.0000622300000000, 0.0000090600000000, 0.0000456000000000 ] - [ -0.0000441300000000, -0.0000003600000000, 0.0000106400000000 ] - [ -0.0000626000000000, -0.0000009300000000, -0.0000010200000000 ] - [ -0.0000309800000000, 0.0000002200000000, -0.0000316400000000 ] - [ -0.0000111300000000, -0.0000623800000000, -0.0000590400000000 ] - [ -0.0000221500000000, -0.0000015200000000, -0.0000509100000000 ] - [ 0.0000087000000000, 0.0001112300000000, 0.0000183000000000 ] - [ 0.0000640000000000, -0.0000217200000000, 0.0000138400000000 ] - [ -0.0000059600000000, 0.0000602300000000, -0.0000770500000000 ] - [ -0.0000165600000000, -0.0000139000000000, 0.0000264500000000 ] - [ 0.0000084300000000, -0.0001119200000000, 0.0000147700000000 ] - [ -0.0000840300000000, 0.0000446600000000, 0.0000183000000000 ] - [ 0.0000446000000000, 0.0000770100000000, 0.0002622200000000 ] - [ -0.0000791600000000, 0.0000164000000000, -0.0000804200000000 ] - [ 0.0000895600000000, 0.0000269400000000, 0.0002051300000000 ] - [ 0.0001208400000000, -0.0038602000000000, -0.0000439000000000 ] - [ 0.0009160000000000, 0.0000315100000000, -0.0011224600000000 ] - [ 0.0000181300000000, -0.0023182700000000, 0.0000395400000000 ] - [ -0.0000166500000000, 0.0000255400000000, -0.0000014400000000 ] - [ -0.0000129100000000, 0.0079267400000000, -0.0000295100000000 ] - [ -0.0032472900000000, 0.0093701900000000, 0.0024840700000000 ] - [ 0.0000225600000000, 0.0023881700000000, 0.0000144400000000 ] - [ 0.0002106700000000, 0.0001849200000000, -0.0000182500000000 ] - [ -0.0000140700000000, 0.0022225100000000, 0.0001284200000000 ] - [ 0.0036502200000000, 0.0099417500000000, -0.0030199500000000 ] - [ 0.0002227900000000, 0.0079950000000000, 0.0000041300000000 ] - [ -0.0030613300000000, 0.0090246900000000, 0.0022739000000000 ] - [ -0.0000108500000000, 0.0001238000000000, 0.0001109800000000 ] - [ 0.0000179500000000, 0.0012116700000000, -0.0000126400000000 ] - [ 0.0009789400000000, 0.0003039800000000, -0.0009977900000000 ] - [ -0.0008799400000000, 0.0002491100000000, 0.0010531100000000 ] - [ 0.0000488300000000, 0.0001031600000000, -0.0001395900000000 ] - [ -0.0000984000000000, 0.0000135900000000, 0.0001449200000000 ] - [ 0.0000312400000000, -0.0001053500000000, 0.0001119800000000 ] - [ -0.0000285500000000, 0.0000498500000000, -0.0000109500000000 ] - [ -0.0000768500000000, -0.0000136600000000, -0.0000383500000000 ] - [ -0.0000621800000000, -0.0000094600000000, 0.0000435800000000 ] - [ 0.0000732100000000, -0.0000366400000000, -0.0001204200000000 ] - [ -0.0000528800000000, 0.0000008300000000, -0.0000204800000000 ] - [ -0.0001503300000000, -0.0000012900000000, 0.0000799100000000 ] - [ -0.0000621700000000, 0.0000086200000000, 0.0000448300000000 ] - [ -0.0000440600000000, 0.0000003100000000, 0.0000105600000000 ] - [ -0.0000596100000000, -0.0000011700000000, -0.0000036700000000 ] - [ -0.0000308900000000, -0.0000000100000000, -0.0000311700000000 ] - [ -0.0000125800000000, -0.0000621100000000, -0.0000587600000000 ] - [ -0.0000223000000000, -0.0000009300000000, -0.0000509000000000 ] - [ 0.0000090500000000, 0.0001114200000000, 0.0000190100000000 ] - [ 0.0000645600000000, -0.0000448900000000, 0.0000142900000000 ] - [ -0.0000068700000000, 0.0000599100000000, -0.0000763000000000 ] - [ -0.0000164800000000, -0.0000089000000000, 0.0000266000000000 ] - [ 0.0000087900000000, -0.0001121500000000, 0.0000153300000000 ] - [ -0.0000848800000000, 0.0000278500000000, 0.0000183500000000 ] - [ -0.0009688400000000, 0.0000607300000000, 0.0010546600000000 ] - [ -0.0000789800000000, 0.0000090700000000, -0.0000801500000000 ] - [ -0.0000124200000000, 0.0000019200000000, 0.0001930900000000 ] - [ 0.0001319700000000, 0.0012080400000000, -0.0000268500000000 ] - [ -0.0001003000000000, 0.0000435400000000, -0.0003322500000000 ] - [ 0.0000111900000000, 0.0000881600000000, 0.0000410600000000 ] - [ 0.0000859200000000, 0.0000001700000000, 0.0000121500000000 ] - [ 0.0000409300000000, -0.0012768600000000, 0.0000067000000000 ] - [ -0.0000785500000000, 0.0001482300000000, 0.0000000800000000 ] - [ 0.0000256400000000, -0.0000713700000000, 0.0000182000000000 ] - [ 0.0029323200000000, 0.0085453000000000, -0.0018024100000000 ] - [ -0.0000166000000000, -0.0000708500000000, 0.0001245400000000 ] - [ 0.0001158400000000, 0.0001064900000000, 0.0000001000000000 ] - [ 0.0001640700000000, -0.0012444500000000, -0.0000368300000000 ] - [ 0.0000133300000000, 0.0000633800000000, -0.0000240700000000 ] - [ -0.0000161800000000, -0.0022423700000000, 0.0001126600000000 ] - [ 0.0000287800000000, -0.0037822100000000, 0.0000041000000000 ] - [ -0.0000043300000000, 0.0001197500000000, -0.0002678400000000 ] - [ 0.0001069600000000, 0.0000606200000000, 0.0003256200000000 ]- atom: 10 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0011344500000000, 0.0000000000000000, 0.0011106400000000 ] - [ -0.0003540400000000, 0.0000000000000000, 0.0011505000000000 ] - [ -0.0000580100000000, 0.0000000000000000, 0.0010062300000000 ] - [ -0.0000193700000000, 0.0000000000000000, 0.0011855300000000 ] - [ -0.0001656100000000, 0.0000000000000000, 0.0011358500000000 ] - [ 0.0000347600000000, 0.0000000000000000, 0.0011516200000000 ] - [ -0.0085755500000000, 0.0000000000000000, 0.0069378000000000 ] - [ 0.0004341400000000, 0.0000000000000000, 0.0013689600000000 ] - [ -0.0085420800000000, 0.0000000000000000, 0.0068665100000000 ] - [ -0.0187174300000000, 0.0000000000000000, -0.1262961200000000 ] - [ -0.0009732800000000, 0.0000000000000000, 0.0015212000000000 ] - [ -0.0000583700000000, 0.0000000000000000, 0.0008440200000000 ] - [ -0.0000571800000000, 0.0000000000000000, 0.0009777100000000 ] - [ -0.0000995200000000, 0.0000000000000000, 0.0011822200000000 ] - [ 0.0000813900000000, 0.0000000000000000, 0.0008512800000000 ] - [ 0.0001145300000000, 0.0000000000000000, 0.0011460400000000 ] - [ 0.0008656900000000, 0.0000000000000000, -0.0008415900000000 ] - [ -0.0004341300000000, 0.0000000000000000, 0.0007436900000000 ] - [ 0.0008955600000000, 0.0000000000000000, -0.0009466700000000 ] - [ -0.0002487600000000, 0.0000000000000000, -0.0053850700000000 ] - [ 0.0002818500000000, 0.0000000000000000, 0.0007550300000000 ] - [ 0.0007649100000000, 0.0000000000000000, 0.0022105400000000 ] - [ 0.0004212200000000, -0.0000717400000000, 0.0016710100000000 ] - [ -0.0002031800000000, 0.0000000000000000, 0.0017970700000000 ] - [ 0.0004212200000000, 0.0000717400000000, 0.0016710100000000 ] - [ 0.0000085100000000, 0.0000251300000000, 0.0015597800000000 ] - [ -0.0002226800000000, 0.0000000000000000, 0.0032490900000000 ] - [ -0.0001322700000000, 0.0000000000000000, 0.0017672400000000 ] - [ 0.0000102100000000, -0.0000244800000000, 0.0015625700000000 ] - [ 0.0017601800000000, 0.0000000000000000, 0.0017718300000000 ] - [ -0.0001645000000000, 0.0000000000000000, 0.0016205800000000 ] - [ -0.0001747900000000, -0.0000197200000000, 0.0015213400000000 ] - [ 0.0003620700000000, 0.0000894600000000, 0.0016368100000000 ] - [ -0.0001026700000000, 0.0000000000000000, 0.0017492200000000 ] - [ 0.0063000600000000, 0.0115980700000000, 0.0131301500000000 ] - [ -0.0048581200000000, 0.0000000000000000, -0.0135682500000000 ] - [ 0.0063000600000000, -0.0115980700000000, 0.0131301500000000 ] - [ -0.0004195300000000, 0.0009920800000000, -0.0011145000000000 ] - [ 0.0059484300000000, -0.0112324800000000, 0.0128976900000000 ] - [ 0.0068972400000000, 0.0000000000000000, -0.0087663000000000 ] - [ -0.0001984400000000, 0.0000000000000000, 0.0030885900000000 ] - [ -0.0005843300000000, 0.0000000000000000, 0.0009768000000000 ] - [ -0.0001076400000000, -0.0000276400000000, 0.0014929000000000 ] - [ -0.0002126100000000, 0.0000000000000000, 0.0016901600000000 ] - [ -0.0001076400000000, 0.0000276400000000, 0.0014929000000000 ] - [ 0.0000102100000000, 0.0000244800000000, 0.0015625700000000 ] - [ 0.0001561600000000, 0.0000000000000000, 0.0008939300000000 ] - [ -0.0000553300000000, 0.0000000000000000, 0.0016282500000000 ] - [ 0.0000085100000000, -0.0000251300000000, 0.0015597800000000 ] - [ -0.0014498700000000, 0.0000000000000000, 0.0023907600000000 ] - [ -0.0002674200000000, 0.0000000000000000, 0.0017510200000000 ] - [ 0.0003620700000000, -0.0000894600000000, 0.0016368100000000 ] - [ -0.0001747900000000, 0.0000197200000000, 0.0015213400000000 ] - [ -0.0001183000000000, 0.0000000000000000, 0.0016548300000000 ] - [ -0.0003991800000000, 0.0009285300000000, -0.0011555100000000 ] - [ 0.0070107400000000, 0.0000000000000000, -0.0086743700000000 ] - [ -0.0003991800000000, -0.0009285300000000, -0.0011555100000000 ] - [ 0.0059484300000000, 0.0112324800000000, 0.0128976900000000 ] - [ -0.0004195300000000, -0.0009920800000000, -0.0011145000000000 ] - [ -0.0045455300000000, 0.0000000000000000, -0.0138420400000000 ] - [ -0.0003111200000000, 0.0002795200000000, -0.0014699600000000 ] - [ -0.0001015700000000, 0.0000000000000000, -0.0013758000000000 ] - [ 0.0000119800000000, -0.0001343300000000, -0.0007147700000000 ] - [ -0.0003843400000000, 0.0000000000000000, -0.0011022600000000 ] - [ 0.0001219400000000, 0.0000000000000000, -0.0009712300000000 ] - [ -0.0002090700000000, 0.0001013200000000, -0.0009418100000000 ] - [ -0.0001595400000000, 0.0000000000000000, -0.0011447200000000 ] - [ -0.0002263800000000, -0.0000793000000000, -0.0009507100000000 ] - [ -0.0000919100000000, 0.0000000000000000, -0.0013226900000000 ] - [ -0.0002090700000000, -0.0001013200000000, -0.0009418100000000 ] - [ 0.0001481000000000, 0.0000000000000000, -0.0010095300000000 ] - [ -0.0002263800000000, 0.0000793000000000, -0.0009507100000000 ] - [ 0.0001624800000000, 0.0000000000000000, -0.0010487500000000 ] - [ -0.0000784300000000, 0.0000254400000000, -0.0010659900000000 ] - [ 0.0000329000000000, 0.0000000000000000, -0.0013935200000000 ] - [ -0.0001024500000000, 0.0000083300000000, -0.0009333400000000 ] - [ -0.0001315000000000, 0.0000000000000000, -0.0011891200000000 ] - [ -0.0001822400000000, -0.0000348500000000, -0.0009994900000000 ] - [ 0.0001037900000000, 0.0000000000000000, -0.0010362300000000 ] - [ -0.0001356000000000, 0.0000020300000000, -0.0009655900000000 ] - [ 0.0005880400000000, 0.0000000000000000, -0.0012069300000000 ] - [ -0.0013741700000000, -0.0007142700000000, -0.0012266700000000 ] - [ -0.0000778300000000, 0.0000000000000000, -0.0015724900000000 ] - [ -0.0003080600000000, -0.0002631600000000, -0.0012721100000000 ] - [ -0.0018577500000000, 0.0000000000000000, 0.0069285500000000 ] - [ 0.0014442400000000, 0.0001448500000000, -0.0005798000000000 ] - [ -0.0001842600000000, 0.0000000000000000, -0.0017135900000000 ] - [ -0.0003080600000000, 0.0002631600000000, -0.0012721100000000 ] - [ 0.0071331500000000, 0.0000000000000000, 0.0142749700000000 ] - [ -0.0010394100000000, 0.0034319000000000, 0.0145624300000000 ] - [ 0.0004304800000000, 0.0000000000000000, -0.0039187600000000 ] - [ -0.0015252600000000, -0.0008191300000000, 0.0020439500000000 ] - [ 0.0003983500000000, 0.0000000000000000, -0.0036297500000000 ] - [ -0.0010394100000000, -0.0034319000000000, 0.0145624300000000 ] - [ 0.0077703400000000, 0.0000000000000000, 0.0147677600000000 ] - [ -0.0009172800000000, 0.0031688300000000, 0.0143248800000000 ] - [ -0.0002960000000000, 0.0000000000000000, 0.0004855300000000 ] - [ 0.0010133300000000, 0.0000000000000000, 0.0047337900000000 ] - [ 0.0015352800000000, 0.0002911900000000, -0.0005140500000000 ] - [ 0.0015352800000000, -0.0002911900000000, -0.0005140500000000 ] - [ 0.0000119800000000, 0.0001343300000000, -0.0007147700000000 ] - [ 0.0000135900000000, 0.0000000000000000, -0.0011819400000000 ] - [ -0.0003111200000000, -0.0002795200000000, -0.0014699600000000 ] - [ 0.0006383700000000, 0.0000000000000000, -0.0012762300000000 ] - [ 0.0000367100000000, 0.0000000000000000, -0.0010963900000000 ] - [ -0.0001750900000000, 0.0000903000000000, -0.0009050700000000 ] - [ 0.0003363200000000, 0.0000000000000000, -0.0012096600000000 ] - [ -0.0001007400000000, -0.0000747500000000, -0.0010010900000000 ] - [ -0.0000982300000000, 0.0000000000000000, -0.0012806400000000 ] - [ -0.0001750900000000, -0.0000903000000000, -0.0009050700000000 ] - [ 0.0001274300000000, 0.0000000000000000, -0.0009816700000000 ] - [ -0.0001007400000000, 0.0000747500000000, -0.0010010900000000 ] - [ 0.0001461900000000, 0.0000000000000000, -0.0010181700000000 ] - [ -0.0001822400000000, 0.0000348500000000, -0.0009994900000000 ] - [ 0.0000423100000000, 0.0000000000000000, -0.0014301500000000 ] - [ -0.0001356000000000, -0.0000020300000000, -0.0009655900000000 ] - [ 0.0003300000000000, 0.0000000000000000, -0.0012982800000000 ] - [ -0.0000784300000000, -0.0000254400000000, -0.0010659900000000 ] - [ 0.0001984200000000, 0.0000000000000000, -0.0009178900000000 ] - [ -0.0001024500000000, -0.0000083300000000, -0.0009333400000000 ] - [ -0.0002803900000000, 0.0000000000000000, -0.0009108800000000 ] - [ 0.0014442400000000, -0.0001448500000000, -0.0005798000000000 ] - [ 0.0000445200000000, 0.0000000000000000, -0.0013973400000000 ] - [ 0.0000757800000000, -0.0000442800000000, -0.0005696500000000 ] - [ 0.0010637800000000, 0.0000000000000000, 0.0048257200000000 ] - [ -0.0013741700000000, 0.0007142700000000, -0.0012266700000000 ] - [ -0.0004445500000000, 0.0000000000000000, 0.0003900800000000 ] - [ 0.0000757800000000, 0.0000442800000000, -0.0005696500000000 ] - [ 0.0029673400000000, 0.0000000000000000, 0.0020443000000000 ] - [ -0.0016193000000000, 0.0008546300000000, 0.0020791100000000 ] - [ -0.0000520600000000, 0.0000000000000000, -0.0000115100000000 ] - [ -0.0009172800000000, -0.0031688300000000, 0.0143248800000000 ] - [ -0.0001710200000000, 0.0000000000000000, 0.0001714300000000 ] - [ -0.0016193000000000, -0.0008546300000000, 0.0020791100000000 ] - [ 0.0030389200000000, 0.0000000000000000, 0.0019632800000000 ] - [ -0.0015252600000000, 0.0008191300000000, 0.0020439500000000 ] - [ -0.0006480800000000, 0.0000000000000000, -0.0016515800000000 ] - [ -0.0019665300000000, 0.0000000000000000, 0.0069126800000000 ] - [ -0.0011891600000000, 0.0008968300000000, -0.0011298600000000 ] - [ -0.0011891600000000, -0.0008968300000000, -0.0011298600000000 ]- atom: 10 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0010672300000000, 0.0000000000000000, -0.0012676300000000 ] - [ 0.0002027300000000, 0.0000000000000000, -0.0011835700000000 ] - [ -0.0000503400000000, 0.0000000000000000, -0.0010268900000000 ] - [ -0.0001830100000000, 0.0000000000000000, -0.0010844800000000 ] - [ 0.0001532500000000, 0.0000000000000000, -0.0011652200000000 ] - [ 0.0000393600000000, 0.0000000000000000, -0.0011499800000000 ] - [ 0.0085142900000000, 0.0000000000000000, -0.0068440000000000 ] - [ -0.0004262300000000, 0.0000000000000000, -0.0014312800000000 ] - [ 0.0085878200000000, 0.0000000000000000, -0.0069976100000000 ] - [ 0.0190108100000000, 0.0000000000000000, 0.1263471300000000 ] - [ 0.0010455800000000, 0.0000000000000000, -0.0016750200000000 ] - [ -0.0000945400000000, 0.0000000000000000, -0.0008751300000000 ] - [ -0.0000508900000000, 0.0000000000000000, -0.0009959600000000 ] - [ -0.0001023400000000, 0.0000000000000000, -0.0010819900000000 ] - [ -0.0000891800000000, 0.0000000000000000, -0.0008838500000000 ] - [ -0.0000427500000000, 0.0000000000000000, -0.0011439600000000 ] - [ -0.0008197100000000, 0.0000000000000000, 0.0008803500000000 ] - [ 0.0004381500000000, 0.0000000000000000, -0.0008070800000000 ] - [ -0.0009534100000000, 0.0000000000000000, 0.0008707000000000 ] - [ 0.0004916100000000, 0.0000000000000000, 0.0053373700000000 ] - [ -0.0001447100000000, 0.0000000000000000, -0.0007890400000000 ] - [ -0.0006131600000000, 0.0000000000000000, -0.0022503000000000 ] - [ -0.0003839300000000, -0.0002135500000000, -0.0016869100000000 ] - [ -0.0001003300000000, 0.0000000000000000, -0.0016601800000000 ] - [ -0.0003839300000000, 0.0002135500000000, -0.0016869100000000 ] - [ -0.0000820100000000, 0.0001502300000000, -0.0015792400000000 ] - [ 0.0002122700000000, 0.0000000000000000, -0.0031948400000000 ] - [ 0.0000494200000000, 0.0000000000000000, -0.0017086100000000 ] - [ -0.0000835600000000, -0.0001509500000000, -0.0015826700000000 ] - [ -0.0016457200000000, 0.0000000000000000, -0.0018939400000000 ] - [ -0.0001877600000000, 0.0000000000000000, -0.0016093600000000 ] - [ 0.0002166100000000, -0.0000644800000000, -0.0015457100000000 ] - [ -0.0003169000000000, -0.0000042100000000, -0.0016591300000000 ] - [ -0.0000354800000000, 0.0000000000000000, -0.0016977500000000 ] - [ -0.0059553100000000, -0.0114605700000000, -0.0130220800000000 ] - [ 0.0047590800000000, 0.0000000000000000, 0.0135427200000000 ] - [ -0.0059553100000000, 0.0114605700000000, -0.0130220800000000 ] - [ 0.0004701600000000, -0.0009526600000000, 0.0010289900000000 ] - [ -0.0059648600000000, 0.0113528600000000, -0.0131266300000000 ] - [ -0.0068178300000000, 0.0000000000000000, 0.0087374700000000 ] - [ 0.0003388300000000, 0.0000000000000000, -0.0031404900000000 ] - [ 0.0007387700000000, 0.0000000000000000, -0.0010125400000000 ] - [ 0.0001476700000000, -0.0002585200000000, -0.0015078300000000 ] - [ -0.0000904000000000, 0.0000000000000000, -0.0015539700000000 ] - [ 0.0001476700000000, 0.0002585200000000, -0.0015078300000000 ] - [ -0.0000835600000000, 0.0001509500000000, -0.0015826700000000 ] - [ -0.0001647100000000, 0.0000000000000000, -0.0008581700000000 ] - [ -0.0000262900000000, 0.0000000000000000, -0.0015708700000000 ] - [ -0.0000820100000000, -0.0001502300000000, -0.0015792400000000 ] - [ 0.0015587200000000, 0.0000000000000000, -0.0025185400000000 ] - [ -0.0000842000000000, 0.0000000000000000, -0.0017412100000000 ] - [ -0.0003169000000000, 0.0000042100000000, -0.0016591300000000 ] - [ 0.0002166100000000, 0.0000644800000000, -0.0015457100000000 ] - [ -0.0000187600000000, 0.0000000000000000, -0.0016032200000000 ] - [ 0.0006733600000000, -0.0009554100000000, 0.0011203600000000 ] - [ -0.0070766200000000, 0.0000000000000000, 0.0086640700000000 ] - [ 0.0006733600000000, 0.0009554100000000, 0.0011203600000000 ] - [ -0.0059648600000000, -0.0113528600000000, -0.0131266300000000 ] - [ 0.0004701600000000, 0.0009526600000000, 0.0010289900000000 ] - [ 0.0046582900000000, 0.0000000000000000, 0.0138280100000000 ] - [ 0.0002650800000000, 0.0000031300000000, 0.0014489200000000 ] - [ -0.0000918300000000, 0.0000000000000000, 0.0016536200000000 ] - [ -0.0000587000000000, -0.0001494500000000, 0.0006914100000000 ] - [ 0.0003327000000000, 0.0000000000000000, 0.0010734900000000 ] - [ -0.0002959600000000, 0.0000000000000000, 0.0008864500000000 ] - [ 0.0000893600000000, -0.0001329200000000, 0.0010328200000000 ] - [ 0.0002995700000000, 0.0000000000000000, 0.0008987500000000 ] - [ 0.0001084600000000, 0.0000900200000000, 0.0009226900000000 ] - [ -0.0002101900000000, 0.0000000000000000, 0.0014738300000000 ] - [ 0.0000893600000000, 0.0001329200000000, 0.0010328200000000 ] - [ -0.0002418900000000, 0.0000000000000000, 0.0010322000000000 ] - [ 0.0001084600000000, -0.0000900200000000, 0.0009226900000000 ] - [ -0.0002336700000000, 0.0000000000000000, 0.0009821500000000 ] - [ 0.0000685600000000, -0.0001624200000000, 0.0009359400000000 ] - [ -0.0000862300000000, 0.0000000000000000, 0.0012739400000000 ] - [ 0.0001148400000000, 0.0002091600000000, 0.0009638800000000 ] - [ 0.0002590200000000, 0.0000000000000000, 0.0012085400000000 ] - [ 0.0001714500000000, 0.0001733400000000, 0.0008698800000000 ] - [ -0.0001482200000000, 0.0000000000000000, 0.0010914500000000 ] - [ 0.0001491400000000, -0.0002224900000000, 0.0009968400000000 ] - [ -0.0007464800000000, 0.0000000000000000, 0.0012358200000000 ] - [ 0.0013209000000000, 0.0007340400000000, 0.0011637500000000 ] - [ -0.0000872900000000, 0.0000000000000000, 0.0014113500000000 ] - [ 0.0003713500000000, 0.0002501200000000, 0.0014681100000000 ] - [ 0.0021224500000000, 0.0000000000000000, -0.0069811000000000 ] - [ -0.0014912700000000, -0.0001641600000000, 0.0005209100000000 ] - [ 0.0002102300000000, 0.0000000000000000, 0.0018050100000000 ] - [ 0.0003713500000000, -0.0002501200000000, 0.0014681100000000 ] - [ -0.0062159800000000, 0.0000000000000000, -0.0136973000000000 ] - [ 0.0013145700000000, -0.0037705500000000, -0.0148578100000000 ] - [ -0.0003819400000000, 0.0000000000000000, 0.0039420200000000 ] - [ 0.0017370200000000, 0.0009177500000000, -0.0020939800000000 ] - [ -0.0004239900000000, 0.0000000000000000, 0.0039171000000000 ] - [ 0.0013145700000000, 0.0037705500000000, -0.0148578100000000 ] - [ -0.0083205400000000, 0.0000000000000000, -0.0154305800000000 ] - [ 0.0009072800000000, -0.0029097600000000, -0.0140776300000000 ] - [ 0.0002500100000000, 0.0000000000000000, -0.0002503700000000 ] - [ -0.0009658800000000, 0.0000000000000000, -0.0047439500000000 ] - [ -0.0014230700000000, -0.0002251800000000, 0.0005734400000000 ] - [ -0.0014230700000000, 0.0002251800000000, 0.0005734400000000 ] - [ -0.0000587000000000, 0.0001494500000000, 0.0006914100000000 ] - [ -0.0002084600000000, 0.0000000000000000, 0.0014586300000000 ] - [ 0.0002650800000000, -0.0000031300000000, 0.0014489200000000 ] - [ -0.0006946100000000, 0.0000000000000000, 0.0012484300000000 ] - [ -0.0002100600000000, 0.0000000000000000, 0.0010125500000000 ] - [ 0.0000547400000000, -0.0001219700000000, 0.0009958600000000 ] - [ -0.0001980200000000, 0.0000000000000000, 0.0009633400000000 ] - [ -0.0000182200000000, 0.0000854700000000, 0.0009726900000000 ] - [ -0.0002044200000000, 0.0000000000000000, 0.0014312500000000 ] - [ 0.0000547400000000, 0.0001219700000000, 0.0009958600000000 ] - [ -0.0002218300000000, 0.0000000000000000, 0.0010044800000000 ] - [ -0.0000182200000000, -0.0000854700000000, 0.0009726900000000 ] - [ -0.0002135300000000, 0.0000000000000000, 0.0009517700000000 ] - [ 0.0001714500000000, -0.0001733400000000, 0.0008698800000000 ] - [ -0.0000960800000000, 0.0000000000000000, 0.0013105100000000 ] - [ 0.0001491400000000, 0.0002224900000000, 0.0009968400000000 ] - [ -0.0001994200000000, 0.0000000000000000, 0.0013187200000000 ] - [ 0.0000685600000000, 0.0001624200000000, 0.0009359400000000 ] - [ -0.0002433200000000, 0.0000000000000000, 0.0009748800000000 ] - [ 0.0001148400000000, -0.0002091600000000, 0.0009638800000000 ] - [ 0.0001129600000000, 0.0000000000000000, 0.0009423100000000 ] - [ -0.0014912700000000, 0.0001641600000000, 0.0005209100000000 ] - [ -0.0002077900000000, 0.0000000000000000, 0.0012410300000000 ] - [ -0.0000100800000000, 0.0000368900000000, 0.0007700000000000 ] - [ -0.0008020900000000, 0.0000000000000000, -0.0048841200000000 ] - [ 0.0013209000000000, -0.0007340400000000, 0.0011637500000000 ] - [ 0.0004574000000000, 0.0000000000000000, -0.0003055500000000 ] - [ -0.0000100800000000, -0.0000368900000000, 0.0007700000000000 ] - [ -0.0028765000000000, 0.0000000000000000, -0.0020285500000000 ] - [ 0.0016632600000000, -0.0008263100000000, -0.0020700600000000 ] - [ 0.0000996000000000, 0.0000000000000000, 0.0000548100000000 ] - [ 0.0009072800000000, 0.0029097600000000, -0.0140776300000000 ] - [ 0.0001441100000000, 0.0000000000000000, 0.0000935800000000 ] - [ 0.0016632600000000, 0.0008263100000000, -0.0020700600000000 ] - [ -0.0027083600000000, 0.0000000000000000, -0.0020367200000000 ] - [ 0.0017370200000000, -0.0009177500000000, -0.0020939800000000 ] - [ 0.0005911900000000, 0.0000000000000000, 0.0018816900000000 ] - [ 0.0020143400000000, 0.0000000000000000, -0.0069274500000000 ] - [ 0.0013079000000000, -0.0008316600000000, 0.0011935800000000 ] - [ 0.0013079000000000, 0.0008316600000000, 0.0011935800000000 ]- atom: 21 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0024533000000000, 0.0000000000000000, 0.0038489000000000 ] - [ 0.0062976700000000, 0.0000000000000000, 0.0003881600000000 ] - [ 0.0004285100000000, 0.0000000000000000, -0.0003999400000000 ] - [ -0.0002226000000000, 0.0000000000000000, -0.0013839700000000 ] - [ 0.0000058200000000, 0.0000000000000000, -0.0000722600000000 ] - [ -0.0000751300000000, 0.0000000000000000, -0.0000682200000000 ] - [ -0.0000450800000000, 0.0000000000000000, 0.0001275400000000 ] - [ 0.0000509200000000, 0.0000000000000000, -0.0000908800000000 ] - [ 0.0031367400000000, 0.0000000000000000, -0.0025235300000000 ] - [ 0.0008673400000000, 0.0000000000000000, 0.0001001300000000 ] - [ 0.0107485700000000, 0.0000000000000000, -0.0048283900000000 ] - [ -0.0110287100000000, 0.0000000000000000, 0.0051515800000000 ] - [ -0.0005775700000000, 0.0000000000000000, 0.0004140400000000 ] - [ 0.0014965800000000, 0.0000000000000000, 0.0014603400000000 ] - [ -0.0000202800000000, 0.0000000000000000, -0.0000346300000000 ] - [ 0.0001642800000000, 0.0000000000000000, -0.0000286000000000 ] - [ 0.0000993600000000, 0.0000000000000000, -0.0001527500000000 ] - [ -0.0000463900000000, 0.0000000000000000, -0.0000599100000000 ] - [ -0.0024835500000000, 0.0000000000000000, 0.0047136700000000 ] - [ -0.0003998200000000, 0.0000000000000000, -0.0002056200000000 ] - [ -0.1481779400000000, 0.0000000000000000, -0.0062437300000000 ] - [ 0.0188053100000000, 0.0000000000000000, 0.0079047600000000 ] - [ 0.0078841800000000, -0.0105742600000000, -0.0117318700000000 ] - [ 0.0006170000000000, 0.0000000000000000, -0.0030178900000000 ] - [ 0.0078841800000000, 0.0105742600000000, -0.0117318700000000 ] - [ 0.0006914700000000, -0.0000861200000000, 0.0002450800000000 ] - [ 0.0000166900000000, 0.0000000000000000, -0.0000239300000000 ] - [ -0.0000388900000000, 0.0000000000000000, -0.0001988200000000 ] - [ -0.0006296800000000, -0.0001180900000000, -0.0004669600000000 ] - [ 0.0000629100000000, 0.0000000000000000, -0.0001928500000000 ] - [ -0.0077524300000000, 0.0000000000000000, 0.0001276300000000 ] - [ -0.0000405800000000, -0.0000402200000000, -0.0000624100000000 ] - [ 0.0000845100000000, 0.0000404100000000, -0.0000853100000000 ] - [ 0.0001237900000000, 0.0000000000000000, -0.0002119900000000 ] - [ 0.0004247100000000, -0.0000505200000000, -0.0000963600000000 ] - [ 0.0010194500000000, 0.0000000000000000, -0.0010719300000000 ] - [ 0.0004247100000000, 0.0000505200000000, -0.0000963600000000 ] - [ -0.0040778800000000, -0.0004677200000000, -0.0048887100000000 ] - [ 0.0038424400000000, -0.0000739400000000, 0.0022455200000000 ] - [ 0.0000996700000000, 0.0000000000000000, -0.0011908400000000 ] - [ 0.0078513800000000, 0.0000000000000000, 0.0002918700000000 ] - [ 0.0050397800000000, 0.0000000000000000, -0.0077323600000000 ] - [ 0.0097896200000000, -0.0052343200000000, 0.0097354100000000 ] - [ -0.0014012700000000, 0.0000000000000000, 0.0027594500000000 ] - [ 0.0097896200000000, 0.0052343200000000, 0.0097354100000000 ] - [ -0.0006296800000000, 0.0001180900000000, -0.0004669600000000 ] - [ -0.0000131500000000, 0.0000000000000000, -0.0000666900000000 ] - [ -0.0000550600000000, 0.0000000000000000, 0.0001137500000000 ] - [ 0.0006914700000000, 0.0000861200000000, 0.0002450800000000 ] - [ 0.0000357800000000, 0.0000000000000000, -0.0000665800000000 ] - [ 0.0036402500000000, 0.0000000000000000, -0.0001943900000000 ] - [ 0.0000845100000000, -0.0000404100000000, -0.0000853100000000 ] - [ -0.0000405800000000, 0.0000402200000000, -0.0000624100000000 ] - [ -0.0002939900000000, 0.0000000000000000, 0.0001406200000000 ] - [ -0.0001544600000000, -0.0000039900000000, -0.0000792200000000 ] - [ -0.0016734100000000, 0.0000000000000000, 0.0007558400000000 ] - [ -0.0001544600000000, 0.0000039900000000, -0.0000792200000000 ] - [ 0.0038424400000000, 0.0000739400000000, 0.0022455200000000 ] - [ -0.0040778800000000, 0.0004677200000000, -0.0048887100000000 ] - [ 0.0000133100000000, 0.0000000000000000, 0.0009338900000000 ] - [ -0.0072247200000000, 0.0028131900000000, -0.0002654400000000 ] - [ -0.0038941000000000, 0.0000000000000000, 0.0059560200000000 ] - [ 0.0202481800000000, 0.0271721000000000, 0.0112142600000000 ] - [ 0.0727691800000000, 0.0000000000000000, -0.0238505100000000 ] - [ 0.0004759200000000, 0.0000000000000000, -0.0052178300000000 ] - [ 0.0001651000000000, -0.0002613300000000, 0.0010405500000000 ] - [ 0.0027342700000000, 0.0000000000000000, 0.0019537700000000 ] - [ 0.0047267300000000, -0.0012776400000000, 0.0028943100000000 ] - [ -0.0000531600000000, 0.0000000000000000, 0.0004357400000000 ] - [ 0.0001651000000000, 0.0002613300000000, 0.0010405500000000 ] - [ -0.0013624700000000, 0.0000000000000000, 0.0004064800000000 ] - [ 0.0047267300000000, 0.0012776400000000, 0.0028943100000000 ] - [ 0.0000411600000000, 0.0000000000000000, 0.0001984600000000 ] - [ 0.0000394800000000, -0.0000822700000000, 0.0000160600000000 ] - [ 0.0008378200000000, 0.0000000000000000, 0.0001530100000000 ] - [ 0.0002409700000000, 0.0001303700000000, 0.0000327100000000 ] - [ 0.0000455100000000, 0.0000000000000000, 0.0000761500000000 ] - [ -0.0000499300000000, 0.0000541900000000, -0.0000777200000000 ] - [ -0.0000861400000000, 0.0000000000000000, 0.0001067100000000 ] - [ -0.0001925700000000, -0.0000776200000000, 0.0000995100000000 ] - [ -0.0000704400000000, 0.0000000000000000, 0.0000475400000000 ] - [ -0.0000554600000000, 0.0000102500000000, 0.0000547100000000 ] - [ -0.0001177500000000, 0.0000000000000000, 0.0000112000000000 ] - [ 0.0000195900000000, -0.0000005200000000, 0.0001416700000000 ] - [ -0.0000336200000000, 0.0000000000000000, 0.0001586200000000 ] - [ 0.0000114500000000, -0.0000087500000000, -0.0000435400000000 ] - [ -0.0000589400000000, 0.0000000000000000, 0.0000373300000000 ] - [ 0.0000195900000000, 0.0000005200000000, 0.0001416700000000 ] - [ -0.0003347100000000, 0.0000000000000000, 0.0002935200000000 ] - [ -0.0014178700000000, -0.0000196200000000, 0.0003151900000000 ] - [ -0.0000490200000000, 0.0000000000000000, 0.0000135400000000 ] - [ 0.0003574800000000, 0.0001850900000000, 0.0003333600000000 ] - [ -0.0034386700000000, 0.0000000000000000, -0.0001669000000000 ] - [ -0.0014178700000000, 0.0000196200000000, 0.0003151900000000 ] - [ -0.0002046400000000, 0.0000000000000000, -0.0015805300000000 ] - [ -0.0001612700000000, 0.0000237500000000, -0.0002977900000000 ] - [ 0.0056315700000000, 0.0000000000000000, 0.0025537500000000 ] - [ 0.0004362200000000, 0.0000000000000000, 0.0022247600000000 ] - [ -0.0019815100000000, 0.0025087500000000, 0.0055763400000000 ] - [ -0.0019815100000000, -0.0025087500000000, 0.0055763400000000 ] - [ 0.0202481800000000, -0.0271721000000000, 0.0112142600000000 ] - [ -0.0004084700000000, 0.0000000000000000, -0.0049382300000000 ] - [ -0.0072247200000000, -0.0028131900000000, -0.0002654400000000 ] - [ -0.0068278600000000, 0.0000000000000000, -0.0003939200000000 ] - [ -0.0019068000000000, 0.0000000000000000, 0.0018532000000000 ] - [ -0.0004564800000000, 0.0001318100000000, -0.0010954400000000 ] - [ -0.0088627200000000, 0.0000000000000000, -0.0037692400000000 ] - [ -0.0030939800000000, -0.0005279600000000, -0.0013832600000000 ] - [ -0.0002982900000000, 0.0000000000000000, -0.0001577600000000 ] - [ -0.0004564800000000, -0.0001318100000000, -0.0010954400000000 ] - [ 0.0011669200000000, 0.0000000000000000, 0.0001948600000000 ] - [ -0.0030939800000000, 0.0005279600000000, -0.0013832600000000 ] - [ -0.0001098500000000, 0.0000000000000000, -0.0002385700000000 ] - [ -0.0000499300000000, -0.0000541900000000, -0.0000777200000000 ] - [ -0.0007320600000000, 0.0000000000000000, -0.0001995800000000 ] - [ -0.0001925700000000, 0.0000776200000000, 0.0000995100000000 ] - [ 0.0000768300000000, 0.0000000000000000, 0.0000554800000000 ] - [ 0.0000394800000000, 0.0000822700000000, 0.0000160600000000 ] - [ 0.0000324500000000, 0.0000000000000000, 0.0000329100000000 ] - [ 0.0002409700000000, -0.0001303700000000, 0.0000327100000000 ] - [ -0.0001092800000000, 0.0000000000000000, 0.0000687000000000 ] - [ 0.0000114500000000, 0.0000087500000000, -0.0000435400000000 ] - [ -0.0000403700000000, 0.0000000000000000, -0.0000607600000000 ] - [ 0.0000626500000000, 0.0000068200000000, 0.0001394600000000 ] - [ 0.0003594300000000, 0.0000000000000000, -0.0001643900000000 ] - [ -0.0000554600000000, -0.0000102500000000, 0.0000547100000000 ] - [ 0.0000712100000000, 0.0000000000000000, 0.0001118000000000 ] - [ 0.0000626500000000, -0.0000068200000000, 0.0001394600000000 ] - [ 0.0004008500000000, 0.0000000000000000, -0.0001455600000000 ] - [ 0.0012079000000000, 0.0000138200000000, 0.0000269100000000 ] - [ 0.0000959300000000, 0.0000000000000000, 0.0001431000000000 ] - [ -0.0001612700000000, -0.0000237500000000, -0.0002977900000000 ] - [ 0.0090628100000000, 0.0000000000000000, 0.0097070000000000 ] - [ 0.0012079000000000, -0.0000138200000000, 0.0000269100000000 ] - [ 0.0011454600000000, 0.0000000000000000, 0.0005795500000000 ] - [ 0.0003574800000000, -0.0001850900000000, 0.0003333600000000 ] - [ -0.0041302500000000, 0.0000000000000000, -0.0002041500000000 ] - [ -0.0003327300000000, 0.0000000000000000, -0.0018901700000000 ] - [ -0.0031519600000000, 0.0019024800000000, -0.0053203100000000 ] - [ -0.0031519600000000, -0.0019024800000000, -0.0053203100000000 ]- atom: 21 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0024675500000000, 0.0000000000000000, -0.0039907200000000 ] - [ -0.0064735000000000, 0.0000000000000000, -0.0004458000000000 ] - [ -0.0005461100000000, 0.0000000000000000, 0.0003808900000000 ] - [ 0.0000229000000000, 0.0000000000000000, 0.0014684600000000 ] - [ -0.0000199200000000, 0.0000000000000000, 0.0000420800000000 ] - [ 0.0001459700000000, 0.0000000000000000, 0.0000610600000000 ] - [ 0.0000868200000000, 0.0000000000000000, -0.0000882600000000 ] - [ -0.0000468300000000, 0.0000000000000000, 0.0000301500000000 ] - [ -0.0031817800000000, 0.0000000000000000, 0.0024624900000000 ] - [ -0.0006199600000000, 0.0000000000000000, -0.0001389500000000 ] - [ -0.0107488700000000, 0.0000000000000000, 0.0047310300000000 ] - [ 0.0108345100000000, 0.0000000000000000, -0.0051519400000000 ] - [ 0.0004602400000000, 0.0000000000000000, -0.0004320100000000 ] - [ -0.0016921700000000, 0.0000000000000000, -0.0013783000000000 ] - [ 0.0000067900000000, 0.0000000000000000, 0.0000043400000000 ] - [ -0.0000931100000000, 0.0000000000000000, 0.0000211600000000 ] - [ -0.0000540600000000, 0.0000000000000000, 0.0001897600000000 ] - [ 0.0000498200000000, 0.0000000000000000, -0.0000010500000000 ] - [ 0.0023948300000000, 0.0000000000000000, -0.0047578400000000 ] - [ 0.0006443000000000, 0.0000000000000000, 0.0001537200000000 ] - [ 0.1437397500000000, 0.0000000000000000, 0.0092696200000000 ] - [ -0.0184736600000000, 0.0000000000000000, -0.0079175000000000 ] - [ -0.0077901000000000, 0.0102505300000000, 0.0116360200000000 ] - [ -0.0009287100000000, 0.0000000000000000, 0.0031380200000000 ] - [ -0.0077901000000000, -0.0102505300000000, 0.0116360200000000 ] - [ -0.0007590000000000, 0.0002672900000000, -0.0002663200000000 ] - [ -0.0000148300000000, 0.0000000000000000, 0.0000678200000000 ] - [ -0.0000517700000000, 0.0000000000000000, 0.0002508300000000 ] - [ 0.0005593300000000, -0.0000626200000000, 0.0004466400000000 ] - [ 0.0000416400000000, 0.0000000000000000, 0.0000665500000000 ] - [ 0.0074073500000000, 0.0000000000000000, -0.0000918900000000 ] - [ 0.0000859600000000, -0.0000422000000000, 0.0000396500000000 ] - [ -0.0000387000000000, 0.0000421000000000, 0.0000624400000000 ] - [ -0.0002476700000000, 0.0000000000000000, 0.0002737600000000 ] - [ -0.0001505400000000, 0.0000230700000000, 0.0000610400000000 ] - [ -0.0010843300000000, 0.0000000000000000, 0.0010624100000000 ] - [ -0.0001505400000000, -0.0000230700000000, 0.0000610400000000 ] - [ 0.0041857600000000, 0.0005283600000000, 0.0047568200000000 ] - [ -0.0037746800000000, 0.0000472500000000, -0.0023063000000000 ] - [ 0.0000006500000000, 0.0000000000000000, 0.0011654600000000 ] - [ -0.0077149700000000, 0.0000000000000000, -0.0003364300000000 ] - [ -0.0047856400000000, 0.0000000000000000, 0.0076675500000000 ] - [ -0.0097291700000000, 0.0050248400000000, -0.0098167400000000 ] - [ 0.0010898300000000, 0.0000000000000000, -0.0026274700000000 ] - [ -0.0097291700000000, -0.0050248400000000, -0.0098167400000000 ] - [ 0.0005593300000000, 0.0000626200000000, 0.0004466400000000 ] - [ 0.0000153500000000, 0.0000000000000000, 0.0001096200000000 ] - [ -0.0000352000000000, 0.0000000000000000, -0.0000617300000000 ] - [ -0.0007590000000000, -0.0002672900000000, -0.0002663200000000 ] - [ 0.0000670400000000, 0.0000000000000000, -0.0000589500000000 ] - [ -0.0039761700000000, 0.0000000000000000, 0.0001991900000000 ] - [ -0.0000387000000000, -0.0000421000000000, 0.0000624400000000 ] - [ 0.0000859600000000, 0.0000422000000000, 0.0000396500000000 ] - [ 0.0001705500000000, 0.0000000000000000, -0.0000783300000000 ] - [ 0.0004260300000000, -0.0000230100000000, 0.0000406000000000 ] - [ 0.0015710300000000, 0.0000000000000000, -0.0007672800000000 ] - [ 0.0004260300000000, 0.0000230100000000, 0.0000406000000000 ] - [ -0.0037746800000000, -0.0000472500000000, -0.0023063000000000 ] - [ 0.0041857600000000, -0.0005283600000000, 0.0047568200000000 ] - [ 0.0000783100000000, 0.0000000000000000, -0.0009479300000000 ] - [ 0.0071822300000000, -0.0025426000000000, 0.0002643700000000 ] - [ 0.0037009000000000, 0.0000000000000000, -0.0056768900000000 ] - [ -0.0202920700000000, -0.0280713000000000, -0.0114694400000000 ] - [ -0.0684917800000000, 0.0000000000000000, 0.0219677700000000 ] - [ -0.0006402500000000, 0.0000000000000000, 0.0051470800000000 ] - [ -0.0002886000000000, 0.0002410000000000, -0.0009508700000000 ] - [ -0.0025709200000000, 0.0000000000000000, -0.0021767300000000 ] - [ -0.0048226300000000, 0.0012752300000000, -0.0029132400000000 ] - [ -0.0002485700000000, 0.0000000000000000, -0.0002783600000000 ] - [ -0.0002886000000000, -0.0002410000000000, -0.0009508700000000 ] - [ 0.0012730400000000, 0.0000000000000000, -0.0003846200000000 ] - [ -0.0048226300000000, -0.0012752300000000, -0.0029132400000000 ] - [ -0.0001007000000000, 0.0000000000000000, -0.0002606300000000 ] - [ -0.0000569600000000, -0.0000425000000000, -0.0001510800000000 ] - [ -0.0008813000000000, 0.0000000000000000, -0.0002530800000000 ] - [ -0.0002237500000000, 0.0000907900000000, 0.0000004700000000 ] - [ 0.0000818200000000, 0.0000000000000000, -0.0000497900000000 ] - [ 0.0000321800000000, 0.0000706900000000, -0.0000573800000000 ] - [ 0.0000504500000000, 0.0000000000000000, -0.0000538100000000 ] - [ 0.0002099100000000, -0.0001438100000000, -0.0000656100000000 ] - [ -0.0000960500000000, 0.0000000000000000, -0.0000102700000000 ] - [ 0.0000022600000000, 0.0000146000000000, -0.0001230600000000 ] - [ -0.0000394400000000, 0.0000000000000000, -0.0001688500000000 ] - [ 0.0000533100000000, -0.0000000900000000, 0.0000629500000000 ] - [ 0.0002916900000000, 0.0000000000000000, -0.0002208700000000 ] - [ -0.0000631600000000, -0.0000156900000000, -0.0000245100000000 ] - [ 0.0000804800000000, 0.0000000000000000, 0.0000430600000000 ] - [ 0.0000533100000000, 0.0000000900000000, 0.0000629500000000 ] - [ 0.0004182600000000, 0.0000000000000000, -0.0002740400000000 ] - [ 0.0014508700000000, 0.0000533800000000, -0.0003206800000000 ] - [ 0.0001015900000000, 0.0000000000000000, 0.0000232300000000 ] - [ -0.0001363600000000, -0.0000735900000000, -0.0003745500000000 ] - [ 0.0033949600000000, 0.0000000000000000, 0.0004196300000000 ] - [ 0.0014508700000000, -0.0000533800000000, -0.0003206800000000 ] - [ 0.0005337000000000, 0.0000000000000000, 0.0014850300000000 ] - [ 0.0003822200000000, -0.0001351600000000, 0.0002505800000000 ] - [ -0.0056590000000000, 0.0000000000000000, -0.0023034900000000 ] - [ -0.0004073900000000, 0.0000000000000000, -0.0022452700000000 ] - [ 0.0020592500000000, -0.0024904800000000, -0.0055505100000000 ] - [ 0.0020592500000000, 0.0024904800000000, -0.0055505100000000 ] - [ -0.0202920700000000, 0.0280713000000000, -0.0114694400000000 ] - [ 0.0002001900000000, 0.0000000000000000, 0.0051916400000000 ] - [ 0.0071822300000000, 0.0025426000000000, 0.0002643700000000 ] - [ 0.0067304100000000, 0.0000000000000000, 0.0003781800000000 ] - [ 0.0017561000000000, 0.0000000000000000, -0.0019229000000000 ] - [ 0.0003297200000000, -0.0001499700000000, 0.0011830200000000 ] - [ 0.0090696300000000, 0.0000000000000000, 0.0035943100000000 ] - [ 0.0029807600000000, 0.0005354800000000, 0.0013702000000000 ] - [ -0.0000056300000000, 0.0000000000000000, 0.0003141300000000 ] - [ 0.0003297200000000, 0.0001499700000000, 0.0011830200000000 ] - [ -0.0012539600000000, 0.0000000000000000, -0.0001748400000000 ] - [ 0.0029807600000000, -0.0005354800000000, 0.0013702000000000 ] - [ 0.0000495700000000, 0.0000000000000000, 0.0001765600000000 ] - [ 0.0000321800000000, -0.0000706900000000, -0.0000573800000000 ] - [ 0.0006878400000000, 0.0000000000000000, 0.0001042200000000 ] - [ 0.0002099100000000, 0.0001438100000000, -0.0000656100000000 ] - [ 0.0000507100000000, 0.0000000000000000, -0.0000291400000000 ] - [ -0.0000569600000000, 0.0000425000000000, -0.0001510800000000 ] - [ -0.0000679100000000, 0.0000000000000000, 0.0000198400000000 ] - [ -0.0002237500000000, -0.0000907900000000, 0.0000004700000000 ] - [ -0.0000576200000000, 0.0000000000000000, -0.0000312000000000 ] - [ -0.0000631600000000, 0.0000156900000000, -0.0000245100000000 ] - [ -0.0001167400000000, 0.0000000000000000, -0.0000969700000000 ] - [ 0.0000106200000000, -0.0000075500000000, 0.0000656000000000 ] - [ -0.0000957400000000, 0.0000000000000000, 0.0001054300000000 ] - [ 0.0000022600000000, -0.0000146000000000, -0.0001230600000000 ] - [ -0.0000498200000000, 0.0000000000000000, -0.0000299900000000 ] - [ 0.0000106200000000, 0.0000075500000000, 0.0000656000000000 ] - [ -0.0003103600000000, 0.0000000000000000, 0.0001667100000000 ] - [ -0.0011499900000000, 0.0000098100000000, -0.0000078800000000 ] - [ -0.0000429400000000, 0.0000000000000000, -0.0001043600000000 ] - [ 0.0003822200000000, 0.0001351600000000, 0.0002505800000000 ] - [ -0.0092833900000000, 0.0000000000000000, -0.0099229400000000 ] - [ -0.0011499900000000, -0.0000098100000000, -0.0000078800000000 ] - [ -0.0008444800000000, 0.0000000000000000, -0.0006435500000000 ] - [ -0.0001363600000000, 0.0000735900000000, -0.0003745500000000 ] - [ 0.0041015000000000, 0.0000000000000000, 0.0004191800000000 ] - [ 0.0003765300000000, 0.0000000000000000, 0.0018554200000000 ] - [ 0.0032296200000000, -0.0018348400000000, 0.0053365800000000 ] - [ 0.0032296200000000, 0.0018348400000000, 0.0053365800000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000766900000000, 0.0076045500000000, -0.0000512800000000 ] - [ -0.0000800700000000, 0.0002454200000000, -0.0000158000000000 ] - [ -0.0000586500000000, 0.0000839100000000, -0.0000086300000000 ] - [ -0.0000994200000000, 0.0011063100000000, 0.0000403000000000 ] - [ -0.0000072000000000, 0.0000013300000000, -0.0000145100000000 ] - [ 0.0000351400000000, 0.0000075100000000, -0.0000031300000000 ] - [ 0.0000220800000000, 0.0000095200000000, 0.0000192800000000 ] - [ 0.0000013500000000, 0.0000018100000000, -0.0000292500000000 ] - [ -0.0000303800000000, 0.0018746300000000, -0.0000372700000000 ] - [ 0.0001215700000000, 0.0001286000000000, -0.0000213300000000 ] - [ 0.0000420600000000, -0.0030279500000000, -0.0000848600000000 ] - [ -0.0001153900000000, 0.0160120200000000, -0.0000602000000000 ] - [ -0.0000599300000000, 0.0000653700000000, -0.0000079400000000 ] - [ -0.0000995900000000, 0.0001020200000000, 0.0000435300000000 ] - [ -0.0000073100000000, 0.0000018000000000, -0.0000141400000000 ] - [ 0.0000352400000000, 0.0000089000000000, -0.0000029400000000 ] - [ 0.0000215600000000, 0.0000156100000000, 0.0000195300000000 ] - [ 0.0000014400000000, 0.0000040300000000, -0.0000296500000000 ] - [ -0.0000355500000000, -0.0005668300000000, -0.0000546800000000 ] - [ 0.0001215100000000, 0.0002036900000000, -0.0000216900000000 ] - [ 0.0021747400000000, -0.1520316800000000, 0.0018317600000000 ] - [ 0.0000495300000000, -0.0012146800000000, -0.0000244800000000 ] - [ -0.0044664700000000, 0.0002782100000000, 0.0009281000000000 ] - [ -0.0001540600000000, -0.0002872700000000, 0.0000646000000000 ] - [ 0.0045339600000000, 0.0004942600000000, -0.0009648100000000 ] - [ -0.0001003800000000, 0.0000856700000000, -0.0000463000000000 ] - [ -0.0000000100000000, 0.0000001300000000, 0.0000218200000000 ] - [ -0.0000443700000000, -0.0000034300000000, 0.0000278600000000 ] - [ 0.0000448100000000, -0.0000929900000000, 0.0000981600000000 ] - [ 0.0000519800000000, -0.0000052000000000, -0.0000617500000000 ] - [ -0.0001716200000000, -0.0034369000000000, 0.0000114000000000 ] - [ 0.0000214400000000, -0.0000412200000000, -0.0000116500000000 ] - [ 0.0000241100000000, 0.0000410200000000, -0.0000089000000000 ] - [ -0.0000620900000000, -0.0000221800000000, 0.0000318600000000 ] - [ 0.0001286400000000, -0.0000133800000000, -0.0000276100000000 ] - [ -0.0000409800000000, -0.0004562200000000, -0.0000053300000000 ] - [ 0.0001425000000000, 0.0000137300000000, -0.0000077600000000 ] - [ -0.0011760200000000, 0.0005905400000000, -0.0051596600000000 ] - [ -0.0003382400000000, -0.0000062700000000, -0.0004137100000000 ] - [ 0.0000477100000000, -0.0000511100000000, -0.0000064100000000 ] - [ 0.0000638700000000, -0.0006505200000000, -0.0000211500000000 ] - [ -0.0000156900000000, 0.0292329300000000, -0.0000213400000000 ] - [ -0.0115796000000000, -0.0000857400000000, -0.0082643000000000 ] - [ -0.0001579300000000, -0.0003964400000000, 0.0000661800000000 ] - [ 0.0115992700000000, 0.0001882900000000, 0.0082264700000000 ] - [ -0.0001146300000000, 0.0000889100000000, -0.0001175500000000 ] - [ 0.0000004900000000, -0.0000014400000000, 0.0000224400000000 ] - [ -0.0000450400000000, -0.0000062200000000, 0.0000277600000000 ] - [ 0.0000323600000000, -0.0000953400000000, 0.0000293000000000 ] - [ 0.0000518800000000, -0.0000087300000000, -0.0000620800000000 ] - [ -0.0001647100000000, 0.0000288000000000, 0.0000054900000000 ] - [ 0.0000213600000000, -0.0000413000000000, -0.0000113400000000 ] - [ 0.0000237700000000, 0.0000405700000000, -0.0000089200000000 ] - [ -0.0000629700000000, -0.0000177700000000, 0.0000319900000000 ] - [ 0.0001185200000000, -0.0000146800000000, -0.0000453000000000 ] - [ -0.0000376800000000, -0.0004858300000000, -0.0000035300000000 ] - [ 0.0001540900000000, 0.0000127600000000, 0.0000105700000000 ] - [ 0.0003870600000000, 0.0000242400000000, 0.0003249100000000 ] - [ 0.0012198300000000, 0.0004841100000000, 0.0051025200000000 ] - [ 0.0000481800000000, 0.0000347200000000, -0.0000104500000000 ] - [ -0.0005212500000000, 0.0002470000000000, -0.0003077700000000 ] - [ -0.0000921500000000, -0.0000903400000000, 0.0001367000000000 ] - [ 0.0219882200000000, 0.0541906400000000, 0.0239153000000000 ] - [ -0.0002049300000000, 0.0057634500000000, 0.0000742800000000 ] - [ -0.0000746800000000, 0.0039219800000000, -0.0000357100000000 ] - [ -0.0001809500000000, -0.0000131900000000, 0.0002809200000000 ] - [ 0.0000219300000000, -0.0068995500000000, -0.0000856600000000 ] - [ -0.0021094200000000, -0.0004312900000000, 0.0024342400000000 ] - [ -0.0001503000000000, -0.0000258600000000, 0.0000793700000000 ] - [ 0.0000553000000000, 0.0000015700000000, -0.0001900900000000 ] - [ -0.0000444700000000, -0.0000067300000000, 0.0000103400000000 ] - [ 0.0019883300000000, -0.0004487300000000, -0.0024387100000000 ] - [ -0.0000309200000000, 0.0000211300000000, -0.0000311900000000 ] - [ -0.0000088200000000, -0.0000605800000000, -0.0000645000000000 ] - [ -0.0000213600000000, 0.0001255800000000, -0.0000490100000000 ] - [ 0.0000066600000000, 0.0001138300000000, 0.0000351100000000 ] - [ 0.0000642500000000, -0.0000002800000000, 0.0000136900000000 ] - [ -0.0000096000000000, 0.0000594200000000, -0.0000717700000000 ] - [ -0.0000168600000000, -0.0000014100000000, 0.0000268500000000 ] - [ 0.0000197400000000, -0.0001123800000000, -0.0000008500000000 ] - [ -0.0000843100000000, -0.0000008600000000, 0.0000179000000000 ] - [ -0.0000246200000000, 0.0000142700000000, -0.0000380700000000 ] - [ -0.0000793900000000, 0.0000013000000000, -0.0000801800000000 ] - [ 0.0000360400000000, 0.0000024100000000, 0.0001028900000000 ] - [ 0.0001303800000000, 0.0000187100000000, -0.0000303300000000 ] - [ -0.0000233300000000, -0.0000122500000000, -0.0000261100000000 ] - [ 0.0000118000000000, 0.0000001200000000, 0.0000406000000000 ] - [ 0.0000355400000000, -0.0000017500000000, 0.0001013800000000 ] - [ 0.0000429200000000, -0.0000165000000000, 0.0000089000000000 ] - [ 0.0003073500000000, 0.0000072200000000, -0.0003158000000000 ] - [ 0.0000254200000000, 0.0000003100000000, 0.0000176600000000 ] - [ 0.0001212500000000, 0.0000470600000000, -0.0000663200000000 ] - [ -0.0000157400000000, -0.0005203100000000, 0.0001294900000000 ] - [ -0.0002667400000000, -0.0000294500000000, 0.0003165500000000 ] - [ 0.0001629200000000, -0.0002652300000000, -0.0000385800000000 ] - [ 0.0000829300000000, -0.0000558400000000, -0.0000078700000000 ] - [ 0.0000098000000000, -0.0076207200000000, 0.0000617700000000 ] - [ 0.0000246800000000, -0.0004747100000000, -0.0000188400000000 ] - [ 0.0021111100000000, -0.0010649300000000, -0.0040318000000000 ] - [ -0.0019955500000000, -0.0011361100000000, 0.0040798800000000 ] - [ -0.0238339900000000, 0.0573576900000000, -0.0254997900000000 ] - [ -0.0000963100000000, -0.0054610800000000, 0.0001300400000000 ] - [ 0.0004737600000000, -0.0000147400000000, 0.0002898500000000 ] - [ -0.0000427900000000, -0.0049983800000000, -0.0000058500000000 ] - [ -0.0000851300000000, -0.0002210300000000, -0.0000309300000000 ] - [ 0.0000626500000000, -0.0000699400000000, 0.0002420700000000 ] - [ 0.0000724000000000, 0.0049020200000000, -0.0001204900000000 ] - [ -0.0000253900000000, 0.0000256300000000, 0.0000433400000000 ] - [ -0.0001506700000000, -0.0000361900000000, 0.0000786000000000 ] - [ -0.0001882600000000, -0.0000562000000000, -0.0001561600000000 ] - [ -0.0000419100000000, -0.0001445700000000, 0.0000105900000000 ] - [ -0.0000908500000000, 0.0000213900000000, -0.0000682600000000 ] - [ -0.0000308500000000, 0.0000254000000000, -0.0000317500000000 ] - [ -0.0000087400000000, -0.0000610000000000, -0.0000637600000000 ] - [ -0.0000233000000000, 0.0000046500000000, -0.0000500200000000 ] - [ -0.0000039900000000, 0.0001125500000000, 0.0000335800000000 ] - [ 0.0000642400000000, 0.0000006800000000, 0.0000137600000000 ] - [ -0.0000086800000000, 0.0000595300000000, -0.0000702600000000 ] - [ -0.0000166500000000, -0.0000010100000000, 0.0000266000000000 ] - [ 0.0000104000000000, -0.0001109200000000, -0.0000021300000000 ] - [ -0.0000844100000000, 0.0000000100000000, 0.0000181900000000 ] - [ -0.0000299600000000, 0.0000157900000000, -0.0000426600000000 ] - [ -0.0000792400000000, 0.0000011700000000, -0.0000800700000000 ] - [ 0.0000362000000000, 0.0000013200000000, 0.0001021100000000 ] - [ 0.0001303900000000, 0.0000828800000000, -0.0000302500000000 ] - [ -0.0000281700000000, -0.0000140200000000, -0.0000305900000000 ] - [ 0.0000118100000000, 0.0000030500000000, 0.0000405600000000 ] - [ 0.0000359100000000, -0.0000015100000000, 0.0001018800000000 ] - [ 0.0000416500000000, -0.0000729700000000, 0.0000093300000000 ] - [ -0.0005647900000000, 0.0003329300000000, -0.0007725900000000 ] - [ 0.0000256100000000, -0.0000028600000000, 0.0000173800000000 ] - [ 0.0001381600000000, 0.0000598200000000, -0.0000355600000000 ] - [ -0.0000168600000000, 0.0053164800000000, -0.0001716500000000 ] - [ 0.0005991300000000, 0.0003089900000000, 0.0007749500000000 ] - [ 0.0001582600000000, 0.0001358200000000, -0.0000347900000000 ] - [ 0.0000988900000000, -0.0000675000000000, 0.0000211000000000 ] - [ -0.0000097500000000, 0.0005436100000000, 0.0001134700000000 ] - [ 0.0000202400000000, 0.0003181600000000, -0.0000090700000000 ] - [ 0.0019029800000000, 0.0002155500000000, 0.0011125300000000 ] - [ -0.0018059500000000, 0.0001872000000000, -0.0010521600000000 ]- atom: 21 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0038469700000000, 0.0000000000000000, -0.0063184700000000 ] - [ 0.0011772700000000, 0.0000000000000000, -0.0011251400000000 ] - [ -0.0002062000000000, 0.0000000000000000, 0.0012432000000000 ] - [ -0.0015600400000000, 0.0000000000000000, 0.0023469900000000 ] - [ 0.0000054400000000, 0.0000000000000000, 0.0013458500000000 ] - [ 0.0000645700000000, 0.0000000000000000, 0.0016428400000000 ] - [ 0.0004137500000000, 0.0000000000000000, 0.0012770000000000 ] - [ 0.0000199700000000, 0.0000000000000000, 0.0015200600000000 ] - [ -0.0018501900000000, 0.0000000000000000, -0.0002154700000000 ] - [ 0.0002538800000000, 0.0000000000000000, 0.0007623400000000 ] - [ -0.0033291800000000, 0.0000000000000000, -0.0069900400000000 ] - [ -0.0013976500000000, 0.0000000000000000, 0.0023479900000000 ] - [ 0.0001847400000000, 0.0000000000000000, 0.0015642200000000 ] - [ 0.0016648100000000, 0.0000000000000000, 0.0017850200000000 ] - [ 0.0000146100000000, 0.0000000000000000, 0.0013646100000000 ] - [ 0.0001188200000000, 0.0000000000000000, 0.0015292900000000 ] - [ -0.0002031700000000, 0.0000000000000000, 0.0015569400000000 ] - [ 0.0000946800000000, 0.0000000000000000, 0.0016004300000000 ] - [ 0.0096230300000000, 0.0000000000000000, 0.0066328600000000 ] - [ 0.0002038200000000, 0.0000000000000000, 0.0030426900000000 ] - [ -0.0280197200000000, 0.0000000000000000, -0.1847722400000000 ] - [ 0.0026780000000000, 0.0000000000000000, -0.0121136900000000 ] - [ -0.0064680700000000, 0.0017384000000000, -0.0012359900000000 ] - [ -0.0008940300000000, 0.0000000000000000, 0.0011960500000000 ] - [ -0.0064680700000000, -0.0017384000000000, -0.0012359900000000 ] - [ 0.0003550600000000, -0.0000039400000000, 0.0019135800000000 ] - [ -0.0000525900000000, 0.0000000000000000, 0.0021971000000000 ] - [ -0.0001554100000000, 0.0000000000000000, 0.0023053800000000 ] - [ -0.0003568500000000, 0.0001525400000000, 0.0024741100000000 ] - [ -0.0001773200000000, 0.0000000000000000, 0.0022443000000000 ] - [ -0.0012099000000000, 0.0000000000000000, 0.0103849300000000 ] - [ 0.0000901100000000, -0.0001565700000000, 0.0021663200000000 ] - [ 0.0000528600000000, 0.0001426000000000, 0.0021112000000000 ] - [ -0.0002604600000000, 0.0000000000000000, 0.0022403800000000 ] - [ 0.0000159500000000, -0.0001732000000000, 0.0018576400000000 ] - [ -0.0030711300000000, 0.0000000000000000, 0.0013363800000000 ] - [ 0.0000159500000000, 0.0001732000000000, 0.0018576400000000 ] - [ -0.0084709300000000, -0.0123596000000000, 0.0122610600000000 ] - [ 0.0015630500000000, 0.0000778400000000, -0.0015768000000000 ] - [ -0.0008459400000000, 0.0000000000000000, 0.0025059400000000 ] - [ 0.0014987400000000, 0.0000000000000000, -0.0075114100000000 ] - [ 0.0009639100000000, 0.0000000000000000, -0.0232565800000000 ] - [ 0.0092004900000000, -0.0046429400000000, 0.0021967400000000 ] - [ 0.0002881600000000, 0.0000000000000000, 0.0025123900000000 ] - [ 0.0092004900000000, 0.0046429400000000, 0.0021967400000000 ] - [ -0.0003568500000000, -0.0001525400000000, 0.0024741100000000 ] - [ -0.0000828700000000, 0.0000000000000000, 0.0023647500000000 ] - [ -0.0000748200000000, 0.0000000000000000, 0.0022763500000000 ] - [ 0.0003550600000000, 0.0000039400000000, 0.0019135800000000 ] - [ 0.0001358100000000, 0.0000000000000000, 0.0021598700000000 ] - [ 0.0001739500000000, 0.0000000000000000, 0.0007908800000000 ] - [ 0.0000528600000000, -0.0001426000000000, 0.0021112000000000 ] - [ 0.0000901100000000, 0.0001565700000000, 0.0021663200000000 ] - [ -0.0000086700000000, 0.0000000000000000, 0.0023798500000000 ] - [ 0.0002497100000000, -0.0002605300000000, 0.0024865100000000 ] - [ 0.0025773800000000, 0.0000000000000000, 0.0020301400000000 ] - [ 0.0002497100000000, 0.0002605300000000, 0.0024865100000000 ] - [ 0.0015630500000000, -0.0000778400000000, -0.0015768000000000 ] - [ -0.0084709300000000, 0.0123596000000000, 0.0122610600000000 ] - [ 0.0007601900000000, 0.0000000000000000, 0.0013590800000000 ] - [ 0.0006952400000000, -0.0005145000000000, 0.0032634000000000 ] - [ 0.0007877700000000, 0.0000000000000000, 0.0007792600000000 ] - [ 0.0138177500000000, 0.0291704500000000, 0.0237949000000000 ] - [ -0.0122789200000000, 0.0000000000000000, 0.0152757800000000 ] - [ -0.0034519600000000, 0.0000000000000000, -0.0034015000000000 ] - [ 0.0003583400000000, 0.0000172400000000, -0.0011617800000000 ] - [ 0.0025599500000000, 0.0000000000000000, 0.0049536500000000 ] - [ 0.0025906500000000, 0.0014919900000000, -0.0024672900000000 ] - [ 0.0000315200000000, 0.0000000000000000, -0.0018021300000000 ] - [ 0.0003583400000000, -0.0000172400000000, -0.0011617800000000 ] - [ -0.0000472900000000, 0.0000000000000000, -0.0008885000000000 ] - [ 0.0025906500000000, -0.0014919900000000, -0.0024672900000000 ] - [ 0.0003824800000000, 0.0000000000000000, -0.0014853100000000 ] - [ -0.0001721100000000, 0.0000770700000000, -0.0013998700000000 ] - [ 0.0001676700000000, 0.0000000000000000, -0.0030352800000000 ] - [ -0.0002418700000000, -0.0000762700000000, -0.0014474800000000 ] - [ 0.0001658200000000, 0.0000000000000000, -0.0018704300000000 ] - [ -0.0001913100000000, -0.0000777700000000, -0.0013721400000000 ] - [ 0.0002486900000000, 0.0000000000000000, -0.0013167400000000 ] - [ -0.0000937800000000, 0.0000102200000000, -0.0011926700000000 ] - [ 0.0001307400000000, 0.0000000000000000, -0.0013487300000000 ] - [ -0.0000769900000000, 0.0001484900000000, -0.0013201200000000 ] - [ 0.0000251700000000, 0.0000000000000000, -0.0019195400000000 ] - [ -0.0001148900000000, -0.0001338900000000, -0.0011801000000000 ] - [ 0.0006912300000000, 0.0000000000000000, -0.0018154900000000 ] - [ -0.0003457100000000, -0.0001956900000000, -0.0014202900000000 ] - [ 0.0002543100000000, 0.0000000000000000, -0.0012300100000000 ] - [ -0.0001148900000000, 0.0001338900000000, -0.0011801000000000 ] - [ 0.0006278700000000, 0.0000000000000000, -0.0010584900000000 ] - [ 0.0008722700000000, -0.0002081500000000, 0.0002880800000000 ] - [ 0.0000986900000000, 0.0000000000000000, -0.0016789700000000 ] - [ 0.0001074900000000, 0.0000233400000000, -0.0017324400000000 ] - [ -0.0002268900000000, 0.0000000000000000, 0.0040954400000000 ] - [ 0.0008722700000000, 0.0002081500000000, 0.0002880800000000 ] - [ -0.0012107900000000, 0.0000000000000000, 0.0001497800000000 ] - [ -0.0001366200000000, 0.0000474700000000, -0.0008878400000000 ] - [ 0.0030860800000000, 0.0000000000000000, 0.0052883100000000 ] - [ 0.0011929800000000, 0.0000000000000000, -0.0010955400000000 ] - [ 0.0053250700000000, -0.0035256100000000, 0.0052503100000000 ] - [ 0.0053250700000000, 0.0035256100000000, 0.0052503100000000 ] - [ 0.0138177500000000, -0.0291704500000000, 0.0237949000000000 ] - [ -0.0012066400000000, 0.0000000000000000, -0.0013036000000000 ] - [ 0.0006952400000000, 0.0005145000000000, 0.0032634000000000 ] - [ -0.0048991500000000, 0.0000000000000000, 0.0038814800000000 ] - [ 0.0010450500000000, 0.0000000000000000, 0.0003216300000000 ] - [ -0.0006770900000000, -0.0000194200000000, -0.0014802100000000 ] - [ -0.0040629700000000, 0.0000000000000000, 0.0035621900000000 ] - [ -0.0012055500000000, -0.0003273300000000, -0.0001241200000000 ] - [ -0.0001820900000000, 0.0000000000000000, -0.0017720200000000 ] - [ -0.0006770900000000, 0.0000194200000000, -0.0014802100000000 ] - [ 0.0001290400000000, 0.0000000000000000, -0.0017824600000000 ] - [ -0.0012055500000000, 0.0003273300000000, -0.0001241200000000 ] - [ 0.0000754800000000, 0.0000000000000000, -0.0013673200000000 ] - [ -0.0001913100000000, 0.0000777700000000, -0.0013721400000000 ] - [ -0.0000535200000000, 0.0000000000000000, -0.0013051900000000 ] - [ -0.0000937800000000, -0.0000102200000000, -0.0011926700000000 ] - [ 0.0001234000000000, 0.0000000000000000, -0.0018882200000000 ] - [ -0.0001721100000000, -0.0000770700000000, -0.0013998700000000 ] - [ 0.0002045200000000, 0.0000000000000000, -0.0013676800000000 ] - [ -0.0002418700000000, 0.0000762700000000, -0.0014474800000000 ] - [ 0.0001926000000000, 0.0000000000000000, -0.0013497700000000 ] - [ -0.0003457100000000, 0.0001956900000000, -0.0014202900000000 ] - [ -0.0000183000000000, 0.0000000000000000, -0.0020034000000000 ] - [ -0.0001559100000000, -0.0001507700000000, -0.0012520500000000 ] - [ -0.0002044000000000, 0.0000000000000000, -0.0026124700000000 ] - [ -0.0000769900000000, -0.0001484900000000, -0.0013201200000000 ] - [ 0.0003070100000000, 0.0000000000000000, -0.0014752700000000 ] - [ -0.0001559100000000, 0.0001507700000000, -0.0012520500000000 ] - [ -0.0002316300000000, 0.0000000000000000, -0.0015688700000000 ] - [ -0.0026323300000000, 0.0023558300000000, -0.0043128500000000 ] - [ 0.0001166300000000, 0.0000000000000000, -0.0019754900000000 ] - [ -0.0001366200000000, -0.0000474700000000, -0.0008878400000000 ] - [ 0.0123157600000000, 0.0000000000000000, 0.1050607800000000 ] - [ -0.0026323300000000, -0.0023558300000000, -0.0043128500000000 ] - [ 0.0046168400000000, 0.0000000000000000, -0.0047063400000000 ] - [ 0.0001074900000000, -0.0000233400000000, -0.0017324400000000 ] - [ -0.0007500500000000, 0.0000000000000000, 0.0031079700000000 ] - [ -0.0011602600000000, 0.0000000000000000, -0.0002238700000000 ] - [ -0.0054319000000000, 0.0009077100000000, 0.0028148500000000 ] - [ -0.0054319000000000, -0.0009077100000000, 0.0028148500000000 ]- atom: 21 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0037752000000000, 0.0000000000000000, 0.0061124600000000 ] - [ -0.0013324900000000, 0.0000000000000000, 0.0011008600000000 ] - [ 0.0000974500000000, 0.0000000000000000, -0.0012606400000000 ] - [ 0.0013676700000000, 0.0000000000000000, -0.0022569300000000 ] - [ -0.0000170700000000, 0.0000000000000000, -0.0013759300000000 ] - [ 0.0000089100000000, 0.0000000000000000, -0.0016432200000000 ] - [ -0.0003749500000000, 0.0000000000000000, -0.0012341900000000 ] - [ -0.0000133800000000, 0.0000000000000000, -0.0015812100000000 ] - [ 0.0017992400000000, 0.0000000000000000, 0.0001429000000000 ] - [ -0.0000098100000000, 0.0000000000000000, -0.0008104900000000 ] - [ 0.0034154100000000, 0.0000000000000000, 0.0067994800000000 ] - [ 0.0012273600000000, 0.0000000000000000, -0.0023286500000000 ] - [ -0.0002973500000000, 0.0000000000000000, -0.0015838500000000 ] - [ -0.0018867200000000, 0.0000000000000000, -0.0016920500000000 ] - [ -0.0000243100000000, 0.0000000000000000, -0.0013959500000000 ] - [ -0.0000467700000000, 0.0000000000000000, -0.0015287300000000 ] - [ 0.0002431600000000, 0.0000000000000000, -0.0015157400000000 ] - [ -0.0000888900000000, 0.0000000000000000, -0.0016613200000000 ] - [ -0.0096511200000000, 0.0000000000000000, -0.0066240900000000 ] - [ 0.0000394400000000, 0.0000000000000000, -0.0030903900000000 ] - [ 0.0284343200000000, 0.0000000000000000, 0.1777640000000000 ] - [ -0.0025367200000000, 0.0000000000000000, 0.0120105200000000 ] - [ 0.0065148800000000, -0.0020073300000000, 0.0012840100000000 ] - [ 0.0005950900000000, 0.0000000000000000, -0.0010523200000000 ] - [ 0.0065148800000000, 0.0020073300000000, 0.0012840100000000 ] - [ -0.0004286700000000, 0.0001827500000000, -0.0019303300000000 ] - [ 0.0000463500000000, 0.0000000000000000, -0.0021538900000000 ] - [ 0.0000694200000000, 0.0000000000000000, -0.0022500700000000 ] - [ 0.0002881000000000, -0.0003327000000000, -0.0024962100000000 ] - [ 0.0002851100000000, 0.0000000000000000, -0.0023625800000000 ] - [ 0.0008755200000000, 0.0000000000000000, -0.0104656800000000 ] - [ -0.0000460200000000, 0.0000726200000000, -0.0021895400000000 ] - [ -0.0000092600000000, -0.0000583200000000, -0.0021338700000000 ] - [ 0.0001279400000000, 0.0000000000000000, -0.0021862100000000 ] - [ 0.0002575500000000, 0.0001479900000000, -0.0018892200000000 ] - [ 0.0029940100000000, 0.0000000000000000, -0.0013462200000000 ] - [ 0.0002575500000000, -0.0001479900000000, -0.0018892200000000 ] - [ 0.0084823600000000, 0.0123453700000000, -0.0122218200000000 ] - [ -0.0015019900000000, -0.0001146900000000, 0.0014898000000000 ] - [ 0.0009353300000000, 0.0000000000000000, -0.0025304000000000 ] - [ -0.0013645800000000, 0.0000000000000000, 0.0074533800000000 ] - [ -0.0007824400000000, 0.0000000000000000, 0.0231379000000000 ] - [ -0.0092001800000000, 0.0044090900000000, -0.0021716900000000 ] - [ -0.0005969500000000, 0.0000000000000000, -0.0023726000000000 ] - [ -0.0092001800000000, -0.0044090900000000, -0.0021716900000000 ] - [ 0.0002881000000000, 0.0003327000000000, -0.0024962100000000 ] - [ 0.0000762000000000, 0.0000000000000000, -0.0023223600000000 ] - [ -0.0000111800000000, 0.0000000000000000, -0.0022200600000000 ] - [ -0.0004286700000000, -0.0001827500000000, -0.0019303300000000 ] - [ -0.0000273100000000, 0.0000000000000000, -0.0022781000000000 ] - [ -0.0005256400000000, 0.0000000000000000, -0.0007721400000000 ] - [ -0.0000092600000000, 0.0000583200000000, -0.0021338700000000 ] - [ -0.0000460200000000, -0.0000726200000000, -0.0021895400000000 ] - [ -0.0001245400000000, 0.0000000000000000, -0.0023266100000000 ] - [ 0.0000233800000000, 0.0002347400000000, -0.0025176200000000 ] - [ -0.0026532400000000, 0.0000000000000000, -0.0020357500000000 ] - [ 0.0000233800000000, -0.0002347400000000, -0.0025176200000000 ] - [ -0.0015019900000000, 0.0001146900000000, 0.0014898000000000 ] - [ 0.0084823600000000, -0.0123453700000000, -0.0122218200000000 ] - [ -0.0006704200000000, 0.0000000000000000, -0.0013844300000000 ] - [ -0.0007233000000000, 0.0007961700000000, -0.0032809900000000 ] - [ -0.0009701500000000, 0.0000000000000000, -0.0005211400000000 ] - [ -0.0141072500000000, -0.0300561500000000, -0.0237459200000000 ] - [ 0.0121260000000000, 0.0000000000000000, -0.0151232300000000 ] - [ 0.0033137400000000, 0.0000000000000000, 0.0033302800000000 ] - [ -0.0004846100000000, -0.0000375100000000, 0.0012508200000000 ] - [ -0.0024094200000000, 0.0000000000000000, -0.0052214800000000 ] - [ -0.0027346900000000, -0.0014909300000000, 0.0024428800000000 ] - [ -0.0003293300000000, 0.0000000000000000, 0.0019587300000000 ] - [ -0.0004846100000000, 0.0000375100000000, 0.0012508200000000 ] - [ -0.0000352800000000, 0.0000000000000000, 0.0009105800000000 ] - [ -0.0027346900000000, 0.0014909300000000, 0.0024428800000000 ] - [ -0.0004580200000000, 0.0000000000000000, 0.0014188200000000 ] - [ 0.0001600400000000, -0.0002084200000000, 0.0012700300000000 ] - [ -0.0002266300000000, 0.0000000000000000, 0.0029261300000000 ] - [ 0.0002554400000000, 0.0003010100000000, 0.0014801800000000 ] - [ -0.0000327200000000, 0.0000000000000000, 0.0018953800000000 ] - [ 0.0001802900000000, 0.0002092800000000, 0.0012424000000000 ] - [ -0.0002849600000000, 0.0000000000000000, 0.0013758600000000 ] - [ 0.0001068000000000, -0.0002349800000000, 0.0012238400000000 ] - [ -0.0002994500000000, 0.0000000000000000, 0.0013793600000000 ] - [ 0.0000304400000000, -0.0001279700000000, 0.0012547000000000 ] - [ -0.0001934100000000, 0.0000000000000000, 0.0017563000000000 ] - [ 0.0001793400000000, 0.0001276500000000, 0.0013789800000000 ] - [ -0.0004254500000000, 0.0000000000000000, 0.0017654900000000 ] - [ 0.0002981400000000, 0.0001730800000000, 0.0013542400000000 ] - [ -0.0002324400000000, 0.0000000000000000, 0.0013139000000000 ] - [ 0.0001793400000000, -0.0001276500000000, 0.0013789800000000 ] - [ -0.0005414300000000, 0.0000000000000000, 0.0010721000000000 ] - [ -0.0008327000000000, 0.0002412300000000, -0.0002796600000000 ] - [ -0.0000515200000000, 0.0000000000000000, 0.0017158600000000 ] - [ 0.0001064000000000, 0.0000801500000000, 0.0016819300000000 ] - [ 0.0001961300000000, 0.0000000000000000, -0.0038067400000000 ] - [ -0.0008327000000000, -0.0002412300000000, -0.0002796600000000 ] - [ 0.0015405200000000, 0.0000000000000000, -0.0002274300000000 ] - [ 0.0003503800000000, -0.0001489600000000, 0.0008375700000000 ] - [ -0.0031149600000000, 0.0000000000000000, -0.0050332900000000 ] - [ -0.0011445400000000, 0.0000000000000000, 0.0010735800000000 ] - [ -0.0051942600000000, 0.0035777900000000, -0.0051598300000000 ] - [ -0.0051942600000000, -0.0035777900000000, -0.0051598300000000 ] - [ -0.0141072500000000, 0.0300561500000000, -0.0237459200000000 ] - [ 0.0010208800000000, 0.0000000000000000, 0.0015535700000000 ] - [ -0.0007233000000000, -0.0007961700000000, -0.0032809900000000 ] - [ 0.0048234200000000, 0.0000000000000000, -0.0039043400000000 ] - [ -0.0012305100000000, 0.0000000000000000, -0.0004198200000000 ] - [ 0.0005588200000000, 0.0000008600000000, 0.0015708900000000 ] - [ 0.0041895200000000, 0.0000000000000000, -0.0038260900000000 ] - [ 0.0010948000000000, 0.0003489100000000, 0.0000908600000000 ] - [ -0.0001155400000000, 0.0000000000000000, 0.0019272700000000 ] - [ 0.0005588200000000, -0.0000008600000000, 0.0015708900000000 ] - [ -0.0002118700000000, 0.0000000000000000, 0.0018101900000000 ] - [ 0.0010948000000000, -0.0003489100000000, 0.0000908600000000 ] - [ -0.0001483100000000, 0.0000000000000000, 0.0012999800000000 ] - [ 0.0001802900000000, -0.0002092800000000, 0.0012424000000000 ] - [ -0.0000035900000000, 0.0000000000000000, 0.0011792900000000 ] - [ 0.0001068000000000, 0.0002349800000000, 0.0012238400000000 ] - [ 0.0000102900000000, 0.0000000000000000, 0.0019157200000000 ] - [ 0.0001600400000000, 0.0002084200000000, 0.0012700300000000 ] - [ -0.0002400800000000, 0.0000000000000000, 0.0014270800000000 ] - [ 0.0002554400000000, -0.0003010100000000, 0.0014801800000000 ] - [ -0.0003629400000000, 0.0000000000000000, 0.0013796000000000 ] - [ 0.0002981400000000, -0.0001730800000000, 0.0013542400000000 ] - [ -0.0001491200000000, 0.0000000000000000, 0.0018407000000000 ] - [ 0.0002214700000000, 0.0001463000000000, 0.0014517700000000 ] - [ 0.0004705100000000, 0.0000000000000000, 0.0025627400000000 ] - [ 0.0000304400000000, 0.0001279700000000, 0.0012547000000000 ] - [ -0.0002867700000000, 0.0000000000000000, 0.0015590100000000 ] - [ 0.0002214700000000, -0.0001463000000000, 0.0014517700000000 ] - [ 0.0003178900000000, 0.0000000000000000, 0.0015817100000000 ] - [ 0.0026780400000000, -0.0023346100000000, 0.0043205600000000 ] - [ -0.0000711900000000, 0.0000000000000000, 0.0020103600000000 ] - [ 0.0003503800000000, 0.0001489600000000, 0.0008375700000000 ] - [ -0.0119317600000000, 0.0000000000000000, -0.0984571400000000 ] - [ 0.0026780400000000, 0.0023346100000000, 0.0043205600000000 ] - [ -0.0042954800000000, 0.0000000000000000, 0.0046357500000000 ] - [ 0.0001064000000000, -0.0000801500000000, 0.0016819300000000 ] - [ 0.0006974300000000, 0.0000000000000000, -0.0028598900000000 ] - [ 0.0012037000000000, 0.0000000000000000, 0.0002041500000000 ] - [ 0.0055062600000000, -0.0008328900000000, -0.0027375500000000 ] - [ 0.0055062600000000, 0.0008328900000000, -0.0027375500000000 ]- atom: 22 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0033185400000000, 0.0000000000000000, -0.0006904500000000 ] - [ 0.0038213600000000, 0.0000000000000000, -0.0126860500000000 ] - [ -0.0003368300000000, 0.0000000000000000, -0.0000104600000000 ] - [ -0.0016354200000000, 0.0000000000000000, 0.0009010700000000 ] - [ -0.0000451300000000, 0.0000000000000000, 0.0000629800000000 ] - [ 0.0000247800000000, 0.0000000000000000, 0.0001225700000000 ] - [ -0.0002772200000000, 0.0000000000000000, 0.0000135800000000 ] - [ -0.0000067500000000, 0.0000000000000000, 0.0001002500000000 ] - [ 0.0024792100000000, 0.0000000000000000, 0.0003620300000000 ] - [ -0.0015327700000000, 0.0000000000000000, 0.0009115200000000 ] - [ 0.0126516800000000, 0.0000000000000000, 0.0001240600000000 ] - [ 0.0016841700000000, 0.0000000000000000, 0.0006920500000000 ] - [ 0.0002492700000000, 0.0000000000000000, 0.0000450300000000 ] - [ 0.0005110700000000, 0.0000000000000000, -0.0006623800000000 ] - [ 0.0000357600000000, 0.0000000000000000, 0.0000280400000000 ] - [ 0.0000359800000000, 0.0000000000000000, 0.0000129000000000 ] - [ 0.0003617400000000, 0.0000000000000000, 0.0000668100000000 ] - [ -0.0000016900000000, 0.0000000000000000, -0.0000162300000000 ] - [ 0.0045968900000000, 0.0000000000000000, -0.0149043400000000 ] - [ 0.0006839200000000, 0.0000000000000000, -0.0007726100000000 ] - [ 0.0186431200000000, 0.0000000000000000, -0.0001411400000000 ] - [ -0.1365992500000000, 0.0000000000000000, -0.0040136800000000 ] - [ -0.0136139300000000, 0.0102249700000000, 0.0099706800000000 ] - [ -0.0007838100000000, 0.0000000000000000, 0.0002740800000000 ] - [ -0.0136139300000000, -0.0102249700000000, 0.0099706800000000 ] - [ 0.0000948600000000, 0.0002085300000000, -0.0002304600000000 ] - [ -0.0000593900000000, 0.0000000000000000, 0.0001872500000000 ] - [ -0.0000979900000000, 0.0000000000000000, 0.0001900600000000 ] - [ -0.0002567100000000, -0.0000555700000000, 0.0004627900000000 ] - [ 0.0002550300000000, 0.0000000000000000, 0.0000542200000000 ] - [ 0.0023797600000000, 0.0000000000000000, 0.0024622200000000 ] - [ 0.0000219700000000, -0.0000438600000000, 0.0000853100000000 ] - [ 0.0000248300000000, 0.0000443000000000, 0.0000868300000000 ] - [ -0.0002186800000000, 0.0000000000000000, 0.0001192700000000 ] - [ -0.0000888500000000, -0.0000592500000000, 0.0004907200000000 ] - [ 0.0029674800000000, 0.0000000000000000, 0.0026266000000000 ] - [ -0.0000888500000000, 0.0000592500000000, 0.0004907200000000 ] - [ 0.0038473900000000, 0.0013444600000000, -0.0017009500000000 ] - [ -0.0146790800000000, -0.0124265300000000, 0.0117334200000000 ] - [ 0.0010249800000000, 0.0000000000000000, -0.0000021200000000 ] - [ 0.0049264300000000, 0.0000000000000000, 0.0000875600000000 ] - [ 0.0045800800000000, 0.0000000000000000, -0.0010286000000000 ] - [ 0.0041612500000000, 0.0008526300000000, -0.0013727500000000 ] - [ 0.0007582800000000, 0.0000000000000000, 0.0001703200000000 ] - [ 0.0041612500000000, -0.0008526300000000, -0.0013727500000000 ] - [ -0.0002567100000000, 0.0000555700000000, 0.0004627900000000 ] - [ 0.0000544500000000, 0.0000000000000000, 0.0000602400000000 ] - [ 0.0000115100000000, 0.0000000000000000, 0.0000730700000000 ] - [ 0.0000948600000000, -0.0002085300000000, -0.0002304600000000 ] - [ -0.0001086800000000, 0.0000000000000000, 0.0000335100000000 ] - [ -0.0002651400000000, 0.0000000000000000, -0.0022487800000000 ] - [ 0.0000248300000000, -0.0000443000000000, 0.0000868300000000 ] - [ 0.0000219700000000, 0.0000438600000000, 0.0000853100000000 ] - [ 0.0001192500000000, 0.0000000000000000, 0.0001471600000000 ] - [ 0.0002480200000000, 0.0001265400000000, -0.0002557700000000 ] - [ -0.0000562500000000, 0.0000000000000000, -0.0023568300000000 ] - [ 0.0002480200000000, -0.0001265400000000, -0.0002557700000000 ] - [ -0.0146790800000000, 0.0124265300000000, 0.0117334200000000 ] - [ 0.0038473900000000, -0.0013444600000000, -0.0017009500000000 ] - [ -0.0005946200000000, 0.0000000000000000, 0.0003063000000000 ] - [ 0.0162821800000000, -0.0090372300000000, -0.0069361000000000 ] - [ 0.0040111700000000, 0.0000000000000000, 0.0001376200000000 ] - [ -0.0044398100000000, -0.0019588900000000, -0.0005803500000000 ] - [ 0.0276734400000000, 0.0000000000000000, 0.0108692500000000 ] - [ -0.0022656800000000, 0.0000000000000000, 0.0007083500000000 ] - [ 0.0003977600000000, 0.0000198400000000, -0.0000579400000000 ] - [ 0.0030332900000000, 0.0000000000000000, -0.0036305200000000 ] - [ -0.0010508300000000, 0.0010006700000000, -0.0029223200000000 ] - [ -0.0000554000000000, 0.0000000000000000, -0.0000897300000000 ] - [ 0.0003977600000000, -0.0000198400000000, -0.0000579400000000 ] - [ 0.0002184800000000, 0.0000000000000000, 0.0002017500000000 ] - [ -0.0010508300000000, -0.0010006700000000, -0.0029223200000000 ] - [ 0.0001023400000000, 0.0000000000000000, -0.0001787800000000 ] - [ -0.0000040600000000, -0.0000500800000000, -0.0001512000000000 ] - [ -0.0002161700000000, 0.0000000000000000, -0.0008423200000000 ] - [ -0.0001236300000000, 0.0000789000000000, -0.0001585500000000 ] - [ 0.0000411400000000, 0.0000000000000000, -0.0000855700000000 ] - [ -0.0000309700000000, 0.0000525800000000, -0.0001049600000000 ] - [ 0.0000280400000000, 0.0000000000000000, -0.0000354900000000 ] - [ 0.0001110400000000, -0.0001430000000000, 0.0000547000000000 ] - [ -0.0000398300000000, 0.0000000000000000, -0.0000431200000000 ] - [ -0.0001734900000000, 0.0000548900000000, -0.0002200300000000 ] - [ -0.0000525600000000, 0.0000000000000000, -0.0001506700000000 ] - [ 0.0000440800000000, -0.0000023200000000, 0.0000185700000000 ] - [ -0.0000873200000000, 0.0000000000000000, -0.0008922300000000 ] - [ 0.0000818300000000, 0.0000188200000000, 0.0000034300000000 ] - [ 0.0001527900000000, 0.0000000000000000, -0.0001164200000000 ] - [ 0.0000440800000000, 0.0000023200000000, 0.0000185700000000 ] - [ -0.0002120700000000, 0.0000000000000000, -0.0006694200000000 ] - [ -0.0013488300000000, -0.0011635600000000, -0.0032534900000000 ] - [ 0.0001218800000000, 0.0000000000000000, -0.0001630100000000 ] - [ -0.0002226800000000, 0.0000381500000000, 0.0001502200000000 ] - [ 0.0027407900000000, 0.0000000000000000, -0.0031034400000000 ] - [ -0.0013488300000000, 0.0011635600000000, -0.0032534900000000 ] - [ 0.0029288900000000, 0.0000000000000000, 0.0022693700000000 ] - [ 0.0005975100000000, -0.0000253900000000, -0.0001334600000000 ] - [ -0.0032283100000000, 0.0000000000000000, 0.0009592700000000 ] - [ -0.0013608400000000, 0.0000000000000000, 0.0000817800000000 ] - [ -0.0040549400000000, -0.0009870500000000, -0.0002646000000000 ] - [ -0.0040549400000000, 0.0009870500000000, -0.0002646000000000 ] - [ -0.0044398100000000, 0.0019588900000000, -0.0005803500000000 ] - [ -0.0014953800000000, 0.0000000000000000, -0.0000360800000000 ] - [ 0.0162821800000000, 0.0090372300000000, -0.0069361000000000 ] - [ -0.0041697900000000, 0.0000000000000000, 0.0007372800000000 ] - [ 0.0027339500000000, 0.0000000000000000, 0.0017302500000000 ] - [ -0.0004079200000000, 0.0000314900000000, 0.0001781800000000 ] - [ -0.0056846700000000, 0.0000000000000000, 0.0037934000000000 ] - [ -0.0006426400000000, 0.0002174100000000, 0.0016013600000000 ] - [ -0.0002085700000000, 0.0000000000000000, 0.0000756500000000 ] - [ -0.0004079200000000, -0.0000314900000000, 0.0001781800000000 ] - [ -0.0002464900000000, 0.0000000000000000, -0.0006404500000000 ] - [ -0.0006426400000000, -0.0002174100000000, 0.0016013600000000 ] - [ -0.0001397300000000, 0.0000000000000000, 0.0000307100000000 ] - [ -0.0000309700000000, -0.0000525800000000, -0.0001049600000000 ] - [ 0.0000697900000000, 0.0000000000000000, 0.0005882600000000 ] - [ 0.0001110400000000, 0.0001430000000000, 0.0000547000000000 ] - [ 0.0000931700000000, 0.0000000000000000, -0.0000531800000000 ] - [ -0.0000040600000000, 0.0000500800000000, -0.0001512000000000 ] - [ -0.0000350900000000, 0.0000000000000000, -0.0000412000000000 ] - [ -0.0001236300000000, -0.0000789000000000, -0.0001585500000000 ] - [ -0.0001092800000000, 0.0000000000000000, -0.0000493400000000 ] - [ 0.0000818300000000, -0.0000188200000000, 0.0000034300000000 ] - [ -0.0001000800000000, 0.0000000000000000, -0.0001808900000000 ] - [ 0.0000206200000000, -0.0000013600000000, 0.0000699800000000 ] - [ 0.0002206700000000, 0.0000000000000000, 0.0006605800000000 ] - [ -0.0001734900000000, -0.0000548900000000, -0.0002200300000000 ] - [ -0.0001027200000000, 0.0000000000000000, 0.0001156500000000 ] - [ 0.0000206200000000, 0.0000013600000000, 0.0000699800000000 ] - [ 0.0003534300000000, 0.0000000000000000, 0.0001661000000000 ] - [ -0.0005155600000000, -0.0002587700000000, 0.0016172200000000 ] - [ -0.0000291000000000, 0.0000000000000000, 0.0000178200000000 ] - [ 0.0005975100000000, 0.0000253900000000, -0.0001334600000000 ] - [ -0.0056283900000000, 0.0000000000000000, 0.0040600400000000 ] - [ -0.0005155600000000, 0.0002587700000000, 0.0016172200000000 ] - [ -0.0020695400000000, 0.0000000000000000, 0.0007652500000000 ] - [ -0.0002226800000000, -0.0000381500000000, 0.0001502200000000 ] - [ 0.0430566900000000, 0.0000000000000000, 0.0145857200000000 ] - [ 0.0045734800000000, 0.0000000000000000, -0.0001205300000000 ] - [ 0.0216348200000000, 0.0148287200000000, -0.0092468700000000 ] - [ 0.0216348200000000, -0.0148287200000000, -0.0092468700000000 ]- atom: 22 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0032000300000000, 0.0000000000000000, 0.0005713300000000 ] - [ -0.0040068200000000, 0.0000000000000000, 0.0125672500000000 ] - [ 0.0002182400000000, 0.0000000000000000, -0.0000070300000000 ] - [ 0.0014433900000000, 0.0000000000000000, -0.0008145300000000 ] - [ 0.0000312200000000, 0.0000000000000000, -0.0000940800000000 ] - [ 0.0000464400000000, 0.0000000000000000, -0.0001301500000000 ] - [ 0.0003231400000000, 0.0000000000000000, 0.0000234800000000 ] - [ 0.0000101700000000, 0.0000000000000000, -0.0001606600000000 ] - [ -0.0025338500000000, 0.0000000000000000, -0.0004273600000000 ] - [ 0.0017708800000000, 0.0000000000000000, -0.0009555800000000 ] - [ -0.0124872100000000, 0.0000000000000000, -0.0002143600000000 ] - [ -0.0018317400000000, 0.0000000000000000, -0.0007353900000000 ] - [ -0.0003667300000000, 0.0000000000000000, -0.0000644800000000 ] - [ -0.0007125800000000, 0.0000000000000000, 0.0007457300000000 ] - [ -0.0000476800000000, 0.0000000000000000, -0.0000577300000000 ] - [ 0.0000346600000000, 0.0000000000000000, -0.0000204900000000 ] - [ -0.0003177700000000, 0.0000000000000000, -0.0000269000000000 ] - [ 0.0000059700000000, 0.0000000000000000, -0.0000444000000000 ] - [ -0.0046044400000000, 0.0000000000000000, 0.0149417400000000 ] - [ -0.0004351800000000, 0.0000000000000000, 0.0007331100000000 ] - [ -0.0186707500000000, 0.0000000000000000, 0.0000277600000000 ] - [ 0.1362445300000000, 0.0000000000000000, 0.0035920100000000 ] - [ 0.0137375800000000, -0.0105342500000000, -0.0099891000000000 ] - [ 0.0004718600000000, 0.0000000000000000, -0.0001472500000000 ] - [ 0.0137375800000000, 0.0105342500000000, -0.0099891000000000 ] - [ -0.0001648500000000, -0.0000279000000000, 0.0002098200000000 ] - [ 0.0000577200000000, 0.0000000000000000, -0.0001468600000000 ] - [ 0.0000098400000000, 0.0000000000000000, -0.0001366700000000 ] - [ 0.0001897900000000, -0.0001248600000000, -0.0004838100000000 ] - [ -0.0001485600000000, 0.0000000000000000, -0.0001772900000000 ] - [ -0.0027129300000000, 0.0000000000000000, -0.0024544400000000 ] - [ 0.0000239800000000, -0.0000387500000000, -0.0001092800000000 ] - [ 0.0000206700000000, 0.0000384300000000, -0.0001107500000000 ] - [ 0.0000915000000000, 0.0000000000000000, -0.0000588100000000 ] - [ 0.0003585600000000, 0.0000307500000000, -0.0005270100000000 ] - [ -0.0030568000000000, 0.0000000000000000, -0.0026404700000000 ] - [ 0.0003585600000000, -0.0000307500000000, -0.0005270100000000 ] - [ -0.0038002400000000, -0.0013413800000000, 0.0016446000000000 ] - [ 0.0146235300000000, 0.0123954700000000, -0.0118259300000000 ] - [ -0.0009337400000000, 0.0000000000000000, -0.0000187900000000 ] - [ -0.0048759500000000, 0.0000000000000000, -0.0001693400000000 ] - [ -0.0044234400000000, 0.0000000000000000, 0.0010214700000000 ] - [ -0.0041305300000000, -0.0011310000000000, 0.0013246500000000 ] - [ -0.0010686400000000, 0.0000000000000000, -0.0000517300000000 ] - [ -0.0041305300000000, 0.0011310000000000, 0.0013246500000000 ] - [ 0.0001897900000000, 0.0001248600000000, -0.0004838100000000 ] - [ -0.0000556200000000, 0.0000000000000000, -0.0000191100000000 ] - [ -0.0000993900000000, 0.0000000000000000, -0.0000196200000000 ] - [ -0.0001648500000000, 0.0000279000000000, 0.0002098200000000 ] - [ 0.0002157000000000, 0.0000000000000000, -0.0001580200000000 ] - [ -0.0000888100000000, 0.0000000000000000, 0.0022700500000000 ] - [ 0.0000206700000000, -0.0000384300000000, -0.0001107500000000 ] - [ 0.0000239800000000, 0.0000387500000000, -0.0001092800000000 ] - [ -0.0002456200000000, 0.0000000000000000, -0.0000870700000000 ] - [ 0.0000260600000000, -0.0001553200000000, 0.0002196400000000 ] - [ -0.0000031500000000, 0.0000000000000000, 0.0023303900000000 ] - [ 0.0000260600000000, 0.0001553200000000, 0.0002196400000000 ] - [ 0.0146235300000000, -0.0123954700000000, -0.0118259300000000 ] - [ -0.0038002400000000, 0.0013413800000000, 0.0016446000000000 ] - [ 0.0006880600000000, 0.0000000000000000, -0.0003390000000000 ] - [ -0.0163281200000000, 0.0090752400000000, 0.0067001300000000 ] - [ -0.0042230200000000, 0.0000000000000000, 0.0001397200000000 ] - [ 0.0043896600000000, 0.0017008700000000, 0.0005816700000000 ] - [ -0.0290845500000000, 0.0000000000000000, -0.0121149000000000 ] - [ 0.0021113100000000, 0.0000000000000000, -0.0007704800000000 ] - [ -0.0005259200000000, -0.0000395000000000, 0.0001448900000000 ] - [ -0.0029108600000000, 0.0000000000000000, 0.0034037600000000 ] - [ 0.0009366200000000, -0.0010031100000000, 0.0029013600000000 ] - [ -0.0002471800000000, 0.0000000000000000, 0.0002481500000000 ] - [ -0.0005259200000000, 0.0000395000000000, 0.0001448900000000 ] - [ -0.0003072200000000, 0.0000000000000000, -0.0001816700000000 ] - [ 0.0009366200000000, 0.0010031100000000, 0.0029013600000000 ] - [ -0.0001622200000000, 0.0000000000000000, 0.0001169700000000 ] - [ -0.0000161100000000, -0.0000694300000000, 0.0000144500000000 ] - [ 0.0001710300000000, 0.0000000000000000, 0.0007480600000000 ] - [ 0.0001414500000000, 0.0001442000000000, 0.0001928700000000 ] - [ 0.0000872200000000, 0.0000000000000000, 0.0001139900000000 ] - [ 0.0000108600000000, 0.0000687700000000, -0.0000323200000000 ] - [ -0.0000613600000000, 0.0000000000000000, 0.0000875800000000 ] - [ -0.0000925400000000, -0.0000786900000000, -0.0000205400000000 ] - [ -0.0001295600000000, 0.0000000000000000, 0.0000808100000000 ] - [ 0.0001188200000000, -0.0000238800000000, 0.0001493300000000 ] - [ -0.0001052100000000, 0.0000000000000000, -0.0000089800000000 ] - [ 0.0000308400000000, 0.0000073600000000, 0.0001868400000000 ] - [ 0.0003518800000000, 0.0000000000000000, 0.0008302600000000 ] - [ -0.0001372200000000, -0.0000494000000000, -0.0000733100000000 ] - [ -0.0001270600000000, 0.0000000000000000, 0.0001973700000000 ] - [ 0.0000308400000000, -0.0000073600000000, 0.0001868400000000 ] - [ 0.0002954800000000, 0.0000000000000000, 0.0006883300000000 ] - [ 0.0013939000000000, 0.0012020400000000, 0.0032507700000000 ] - [ -0.0000702700000000, 0.0000000000000000, 0.0001978900000000 ] - [ 0.0004463200000000, 0.0000823000000000, -0.0001944600000000 ] - [ -0.0027432800000000, 0.0000000000000000, 0.0033528100000000 ] - [ 0.0013939000000000, -0.0012020400000000, 0.0032507700000000 ] - [ -0.0026009100000000, 0.0000000000000000, -0.0023330900000000 ] - [ -0.0003705200000000, -0.0000961200000000, 0.0000949200000000 ] - [ 0.0031962400000000, 0.0000000000000000, -0.0007427300000000 ] - [ 0.0013976200000000, 0.0000000000000000, -0.0001103300000000 ] - [ 0.0041540300000000, 0.0010322500000000, 0.0003154300000000 ] - [ 0.0041540300000000, -0.0010322500000000, 0.0003154300000000 ] - [ 0.0043896600000000, -0.0017008700000000, 0.0005816700000000 ] - [ 0.0012940500000000, 0.0000000000000000, 0.0003255400000000 ] - [ -0.0163281200000000, -0.0090752400000000, 0.0067001300000000 ] - [ 0.0041377000000000, 0.0000000000000000, -0.0007526100000000 ] - [ -0.0028886800000000, 0.0000000000000000, -0.0018182400000000 ] - [ 0.0002840700000000, -0.0000505600000000, -0.0000877100000000 ] - [ 0.0057882700000000, 0.0000000000000000, -0.0039755300000000 ] - [ 0.0005474400000000, -0.0002143500000000, -0.0016248800000000 ] - [ -0.0000928400000000, 0.0000000000000000, 0.0000839100000000 ] - [ 0.0002840700000000, 0.0000505600000000, -0.0000877100000000 ] - [ 0.0001535500000000, 0.0000000000000000, 0.0006628800000000 ] - [ 0.0005474400000000, 0.0002143500000000, -0.0016248800000000 ] - [ 0.0000809400000000, 0.0000000000000000, -0.0000917900000000 ] - [ 0.0000108600000000, -0.0000687700000000, -0.0000323200000000 ] - [ -0.0001114700000000, 0.0000000000000000, -0.0006851200000000 ] - [ -0.0000925400000000, 0.0000786900000000, -0.0000205400000000 ] - [ 0.0000348100000000, 0.0000000000000000, 0.0000825200000000 ] - [ -0.0000161100000000, 0.0000694300000000, 0.0000144500000000 ] - [ 0.0000020700000000, 0.0000000000000000, 0.0000935200000000 ] - [ 0.0001414500000000, -0.0001442000000000, 0.0001928700000000 ] - [ -0.0000602000000000, 0.0000000000000000, 0.0000864700000000 ] - [ -0.0001372200000000, 0.0000494000000000, -0.0000733100000000 ] - [ -0.0000575600000000, 0.0000000000000000, 0.0000210000000000 ] - [ 0.0000547300000000, 0.0000057700000000, 0.0001355200000000 ] - [ 0.0000394200000000, 0.0000000000000000, -0.0007200400000000 ] - [ 0.0001188200000000, 0.0000238800000000, 0.0001493300000000 ] - [ 0.0001272500000000, 0.0000000000000000, -0.0000353100000000 ] - [ 0.0000547300000000, -0.0000057700000000, 0.0001355200000000 ] - [ -0.0002754800000000, 0.0000000000000000, -0.0001451400000000 ] - [ 0.0005393400000000, 0.0003032900000000, -0.0016216800000000 ] - [ 0.0000802800000000, 0.0000000000000000, 0.0000158000000000 ] - [ -0.0003705200000000, 0.0000961200000000, 0.0000949200000000 ] - [ 0.0056463500000000, 0.0000000000000000, -0.0038552100000000 ] - [ 0.0005393400000000, -0.0003032900000000, -0.0016216800000000 ] - [ 0.0024000400000000, 0.0000000000000000, -0.0008585900000000 ] - [ 0.0004463200000000, -0.0000823000000000, -0.0001944600000000 ] - [ -0.0412338600000000, 0.0000000000000000, -0.0128466300000000 ] - [ -0.0045301300000000, 0.0000000000000000, 0.0001089400000000 ] - [ -0.0215164100000000, -0.0150901900000000, 0.0095905600000000 ] - [ -0.0215164100000000, 0.0150901900000000, 0.0095905600000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000274900000000, 0.0186491900000000, -0.0000243200000000 ] - [ -0.0000863400000000, -0.0100110300000000, 0.0000003100000000 ] - [ -0.0000586900000000, -0.0000451400000000, -0.0000092800000000 ] - [ -0.0000999500000000, -0.0001306400000000, 0.0000418500000000 ] - [ -0.0000072300000000, -0.0000020800000000, -0.0000152300000000 ] - [ 0.0000350200000000, -0.0000057600000000, -0.0000036800000000 ] - [ 0.0000217400000000, -0.0000581400000000, 0.0000187200000000 ] - [ 0.0000015200000000, -0.0000064200000000, -0.0000302200000000 ] - [ -0.0000140500000000, -0.0003087400000000, -0.0000301900000000 ] - [ 0.0001230900000000, -0.0001508200000000, -0.0000205700000000 ] - [ 0.0000207400000000, -0.0006799600000000, -0.0000752700000000 ] - [ -0.0000908100000000, -0.0002859200000000, -0.0000228500000000 ] - [ -0.0000589200000000, -0.0000470500000000, -0.0000090300000000 ] - [ -0.0000990500000000, -0.0005716400000000, 0.0000437900000000 ] - [ -0.0000071300000000, -0.0000008300000000, -0.0000151400000000 ] - [ 0.0000349500000000, -0.0000047200000000, -0.0000039500000000 ] - [ 0.0000223500000000, -0.0000490100000000, 0.0000186100000000 ] - [ 0.0000012200000000, -0.0000053000000000, -0.0000304000000000 ] - [ -0.0000117600000000, -0.0118202400000000, -0.0000603800000000 ] - [ 0.0001225500000000, -0.0006072300000000, -0.0000222000000000 ] - [ 0.0000815100000000, -0.0012143800000000, -0.0000205700000000 ] - [ 0.0003403800000000, -0.1468915400000000, -0.0003845300000000 ] - [ 0.0107976500000000, 0.0033756400000000, 0.0156390600000000 ] - [ -0.0001553400000000, 0.0002389000000000, 0.0000608000000000 ] - [ -0.0108001000000000, 0.0036069000000000, -0.0157703300000000 ] - [ 0.0000100400000000, 0.0000914700000000, 0.0000487000000000 ] - [ 0.0000004600000000, 0.0000056000000000, 0.0000211400000000 ] - [ -0.0000452300000000, 0.0000043200000000, 0.0000260700000000 ] - [ -0.0000815400000000, -0.0000873400000000, -0.0000436200000000 ] - [ 0.0000519800000000, 0.0000168600000000, -0.0000631700000000 ] - [ -0.0001701700000000, 0.0001817800000000, 0.0000074600000000 ] - [ 0.0000242400000000, -0.0000408000000000, -0.0000098700000000 ] - [ 0.0000207600000000, 0.0000414400000000, -0.0000132600000000 ] - [ -0.0000624400000000, 0.0000129600000000, 0.0000307200000000 ] - [ 0.0001944200000000, -0.0000098000000000, 0.0000225200000000 ] - [ -0.0000411300000000, 0.0001978000000000, -0.0000098600000000 ] - [ 0.0000770700000000, 0.0000186600000000, -0.0000597100000000 ] - [ 0.0012465800000000, -0.0000036300000000, 0.0001620000000000 ] - [ -0.0130977400000000, 0.0045151800000000, -0.0190085000000000 ] - [ 0.0000479500000000, 0.0001422900000000, -0.0000110000000000 ] - [ 0.0001501100000000, 0.0292326300000000, -0.0000820300000000 ] - [ 0.0000825400000000, -0.0002867400000000, -0.0000041800000000 ] - [ 0.0011553400000000, -0.0001556900000000, 0.0002091700000000 ] - [ -0.0001570300000000, 0.0001346400000000, 0.0000617500000000 ] - [ -0.0011179000000000, 0.0001465100000000, -0.0002347900000000 ] - [ 0.0000113000000000, 0.0000929800000000, 0.0000224800000000 ] - [ 0.0000006200000000, 0.0000029700000000, 0.0000210600000000 ] - [ -0.0000450200000000, 0.0000026700000000, 0.0000262200000000 ] - [ -0.0000797300000000, -0.0000885300000000, -0.0000688500000000 ] - [ 0.0000517000000000, 0.0000148500000000, -0.0000631300000000 ] - [ -0.0001676300000000, 0.0019487900000000, 0.0000080900000000 ] - [ 0.0000244800000000, -0.0000407300000000, -0.0000096900000000 ] - [ 0.0000207400000000, 0.0000415600000000, -0.0000133200000000 ] - [ -0.0000626900000000, 0.0000156500000000, 0.0000307900000000 ] - [ 0.0001844200000000, -0.0000124300000000, 0.0000446600000000 ] - [ -0.0000418200000000, 0.0022390600000000, -0.0000129500000000 ] - [ 0.0000873200000000, 0.0000158500000000, -0.0000828800000000 ] - [ 0.0131958400000000, 0.0044674800000000, 0.0190515100000000 ] - [ -0.0011936400000000, -0.0000330200000000, -0.0002449700000000 ] - [ 0.0000462600000000, 0.0003413200000000, -0.0000104000000000 ] - [ -0.0089613700000000, 0.0163578400000000, 0.0112600600000000 ] - [ -0.0000926700000000, 0.0033369600000000, 0.0001485900000000 ] - [ 0.0000703200000000, 0.0000153300000000, -0.0000189700000000 ] - [ 0.0000561900000000, 0.0073429300000000, 0.0000479700000000 ] - [ -0.0000757800000000, 0.0001221200000000, -0.0000393100000000 ] - [ -0.0001302800000000, 0.0000257100000000, -0.0000927300000000 ] - [ 0.0000945800000000, -0.0065201200000000, -0.0000828200000000 ] - [ -0.0001143100000000, 0.0000466200000000, -0.0003405300000000 ] - [ -0.0001505800000000, 0.0000231900000000, 0.0000803100000000 ] - [ 0.0000052000000000, 0.0000428600000000, 0.0001837700000000 ] - [ -0.0000448300000000, 0.0000731000000000, 0.0000109200000000 ] - [ 0.0000041600000000, 0.0000321800000000, 0.0003207700000000 ] - [ -0.0000313100000000, -0.0000174000000000, -0.0000305700000000 ] - [ -0.0000094300000000, -0.0000598900000000, -0.0000687600000000 ] - [ -0.0000217500000000, -0.0000267000000000, -0.0000491800000000 ] - [ 0.0000138800000000, 0.0001121800000000, 0.0000058100000000 ] - [ 0.0000642900000000, -0.0000009100000000, 0.0000148300000000 ] - [ -0.0000092000000000, 0.0000610400000000, -0.0000663900000000 ] - [ -0.0000168400000000, 0.0000006500000000, 0.0000272600000000 ] - [ 0.0000058200000000, -0.0001130000000000, 0.0000281500000000 ] - [ -0.0000844300000000, 0.0000011400000000, 0.0000189000000000 ] - [ -0.0000316200000000, 0.0000139200000000, -0.0000203700000000 ] - [ -0.0000792800000000, -0.0000002500000000, -0.0000797700000000 ] - [ 0.0000368600000000, 0.0000025000000000, 0.0001059000000000 ] - [ 0.0001305200000000, -0.0000335200000000, -0.0000302300000000 ] - [ -0.0000221200000000, -0.0000150000000000, -0.0000476200000000 ] - [ 0.0000122200000000, -0.0000231300000000, 0.0000410500000000 ] - [ 0.0000356500000000, -0.0000007200000000, 0.0000993000000000 ] - [ 0.0000413100000000, 0.0000449700000000, 0.0000096800000000 ] - [ 0.0001066900000000, 0.0000720100000000, 0.0003727500000000 ] - [ 0.0000252000000000, 0.0000311100000000, 0.0000179000000000 ] - [ 0.0000338200000000, 0.0000602300000000, 0.0001167200000000 ] - [ -0.0000355100000000, -0.0064226700000000, 0.0001016200000000 ] - [ -0.0000699600000000, 0.0000229800000000, -0.0003733700000000 ] - [ 0.0001708100000000, -0.0038972200000000, -0.0000407500000000 ] - [ 0.0000126400000000, -0.0000059000000000, -0.0002056600000000 ] - [ -0.0000094500000000, -0.0016138600000000, 0.0001062400000000 ] - [ 0.0000182800000000, -0.0001294900000000, -0.0000106700000000 ] - [ 0.0000659200000000, 0.0000883600000000, -0.0000494900000000 ] - [ 0.0000300800000000, 0.0000291100000000, 0.0001059800000000 ] - [ -0.0001226800000000, 0.0003032500000000, 0.0000030400000000 ] - [ -0.0000974300000000, -0.0001120500000000, 0.0001456100000000 ] - [ 0.0094739900000000, 0.0168252100000000, -0.0121687400000000 ] - [ -0.0000284400000000, -0.0016498800000000, -0.0000062500000000 ] - [ -0.0000839900000000, -0.0029674300000000, -0.0000356400000000 ] - [ 0.0000089800000000, -0.0000054300000000, -0.0000856700000000 ] - [ 0.0000712500000000, 0.0019494600000000, -0.0001236900000000 ] - [ 0.0012753300000000, 0.0000841000000000, -0.0015465700000000 ] - [ -0.0001505700000000, 0.0000140400000000, 0.0000797200000000 ] - [ -0.0001333900000000, 0.0000117800000000, 0.0001746300000000 ] - [ -0.0000441900000000, 0.0000378200000000, 0.0000111200000000 ] - [ -0.0013892000000000, 0.0000794900000000, 0.0015217700000000 ] - [ -0.0000311500000000, -0.0000115800000000, -0.0000307100000000 ] - [ -0.0000087600000000, -0.0000601300000000, -0.0000678900000000 ] - [ -0.0000225400000000, -0.0000675000000000, -0.0000497600000000 ] - [ 0.0000109000000000, 0.0001116600000000, 0.0000060600000000 ] - [ 0.0000642200000000, -0.0000003000000000, 0.0000147400000000 ] - [ -0.0000087900000000, 0.0000612500000000, -0.0000654600000000 ] - [ -0.0000171100000000, 0.0000012000000000, 0.0000273800000000 ] - [ 0.0000034000000000, -0.0001124200000000, 0.0000286600000000 ] - [ -0.0000847500000000, 0.0000013200000000, 0.0000186300000000 ] - [ -0.0000310200000000, 0.0000136300000000, -0.0000203000000000 ] - [ -0.0000792300000000, -0.0000006300000000, -0.0000797900000000 ] - [ 0.0000361500000000, 0.0000021200000000, 0.0001047100000000 ] - [ 0.0001310600000000, -0.0000651300000000, -0.0000293400000000 ] - [ -0.0000218100000000, -0.0000147300000000, -0.0000478500000000 ] - [ 0.0000121000000000, -0.0000120400000000, 0.0000411300000000 ] - [ 0.0000365900000000, -0.0000010900000000, 0.0001006600000000 ] - [ 0.0000412700000000, 0.0000617500000000, 0.0000103500000000 ] - [ -0.0014478100000000, 0.0000770900000000, 0.0016727000000000 ] - [ 0.0000253000000000, 0.0000150500000000, 0.0000180800000000 ] - [ 0.0002085100000000, 0.0001117600000000, 0.0001618900000000 ] - [ -0.0000173100000000, 0.0021013500000000, 0.0001305700000000 ] - [ 0.0014828100000000, 0.0000371800000000, -0.0016694400000000 ] - [ 0.0001621500000000, 0.0001579600000000, -0.0000393100000000 ] - [ 0.0001868900000000, -0.0000560300000000, -0.0001596800000000 ] - [ -0.0001180800000000, 0.0098713400000000, 0.0000478300000000 ] - [ 0.0000136900000000, 0.0042555700000000, -0.0000130400000000 ] - [ 0.0163950100000000, 0.0312979300000000, -0.0166959600000000 ] - [ -0.0171513600000000, 0.0324331500000000, 0.0180153200000000 ]- atom: 22 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0052336700000000, 0.0000000000000000, -0.0135600700000000 ] - [ -0.0108634200000000, 0.0000000000000000, 0.0095516600000000 ] - [ -0.0002890000000000, 0.0000000000000000, 0.0017458200000000 ] - [ 0.0004914700000000, 0.0000000000000000, 0.0022358200000000 ] - [ 0.0000050700000000, 0.0000000000000000, 0.0015409100000000 ] - [ 0.0001529400000000, 0.0000000000000000, 0.0017638800000000 ] - [ -0.0002986100000000, 0.0000000000000000, 0.0018412200000000 ] - [ 0.0001437900000000, 0.0000000000000000, 0.0017318200000000 ] - [ 0.0022901800000000, 0.0000000000000000, -0.0017616100000000 ] - [ 0.0009149400000000, 0.0000000000000000, 0.0021782500000000 ] - [ 0.0075065000000000, 0.0000000000000000, -0.0085227400000000 ] - [ 0.0023047000000000, 0.0000000000000000, -0.0009473700000000 ] - [ 0.0001047900000000, 0.0000000000000000, 0.0013292200000000 ] - [ -0.0006891300000000, 0.0000000000000000, 0.0012562000000000 ] - [ 0.0000030700000000, 0.0000000000000000, 0.0014933100000000 ] - [ 0.0000377100000000, 0.0000000000000000, 0.0017629300000000 ] - [ 0.0002134600000000, 0.0000000000000000, 0.0012871600000000 ] - [ -0.0000189800000000, 0.0000000000000000, 0.0017397300000000 ] - [ -0.0152972900000000, 0.0000000000000000, 0.0123920100000000 ] - [ -0.0006648600000000, 0.0000000000000000, 0.0009726600000000 ] - [ 0.0105757700000000, 0.0000000000000000, -0.0132305500000000 ] - [ -0.0227980700000000, 0.0000000000000000, -0.2251455300000000 ] - [ 0.0075572700000000, 0.0144942700000000, 0.0186036200000000 ] - [ -0.0005475500000000, 0.0000000000000000, 0.0047892900000000 ] - [ 0.0075572700000000, -0.0144942700000000, 0.0186036200000000 ] - [ -0.0003285600000000, 0.0000948000000000, 0.0023241700000000 ] - [ -0.0000589900000000, 0.0000000000000000, 0.0026742100000000 ] - [ -0.0001099400000000, 0.0000000000000000, 0.0026520000000000 ] - [ 0.0004413200000000, 0.0000143500000000, 0.0025294900000000 ] - [ 0.0000566500000000, 0.0000000000000000, 0.0023552400000000 ] - [ 0.0023262800000000, 0.0000000000000000, 0.0026137200000000 ] - [ 0.0000758400000000, -0.0001515800000000, 0.0023960300000000 ] - [ 0.0000914800000000, 0.0001505700000000, 0.0023894400000000 ] - [ -0.0001992800000000, 0.0000000000000000, 0.0026844800000000 ] - [ 0.0007848000000000, -0.0001030500000000, 0.0025362100000000 ] - [ 0.0031808800000000, 0.0000000000000000, 0.0025857600000000 ] - [ 0.0007848000000000, 0.0001030500000000, 0.0025362100000000 ] - [ -0.0012451400000000, 0.0005189200000000, -0.0027325100000000 ] - [ 0.0108633900000000, -0.0202154700000000, 0.0232305200000000 ] - [ 0.0003849000000000, 0.0000000000000000, 0.0009283700000000 ] - [ -0.0068422600000000, 0.0000000000000000, -0.0221134400000000 ] - [ -0.0002689700000000, 0.0000000000000000, -0.0104276000000000 ] - [ -0.0011644100000000, 0.0000804100000000, -0.0016239300000000 ] - [ 0.0001050300000000, 0.0000000000000000, 0.0013364100000000 ] - [ -0.0011644100000000, -0.0000804100000000, -0.0016239300000000 ] - [ 0.0004413200000000, -0.0000143500000000, 0.0025294900000000 ] - [ -0.0000886100000000, 0.0000000000000000, 0.0024904300000000 ] - [ -0.0001315400000000, 0.0000000000000000, 0.0025044800000000 ] - [ -0.0003285600000000, -0.0000948000000000, 0.0023241700000000 ] - [ -0.0001041400000000, 0.0000000000000000, 0.0026312600000000 ] - [ -0.0023906500000000, 0.0000000000000000, 0.0033472900000000 ] - [ 0.0000914800000000, -0.0001505700000000, 0.0023894400000000 ] - [ 0.0000758400000000, 0.0001515800000000, 0.0023960300000000 ] - [ -0.0000722800000000, 0.0000000000000000, 0.0024846200000000 ] - [ -0.0002793800000000, 0.0000604300000000, 0.0022928600000000 ] - [ -0.0029593500000000, 0.0000000000000000, 0.0035292400000000 ] - [ -0.0002793800000000, -0.0000604300000000, 0.0022928600000000 ] - [ 0.0108633900000000, 0.0202154700000000, 0.0232305200000000 ] - [ -0.0012451400000000, -0.0005189200000000, -0.0027325100000000 ] - [ -0.0003659600000000, 0.0000000000000000, 0.0056445900000000 ] - [ -0.0064399200000000, 0.0123164400000000, 0.0261197600000000 ] - [ 0.0004677100000000, 0.0000000000000000, -0.0057661800000000 ] - [ -0.0023463600000000, -0.0015669400000000, 0.0034085800000000 ] - [ 0.0175679600000000, 0.0000000000000000, 0.0251786100000000 ] - [ -0.0005682400000000, 0.0000000000000000, 0.0003151200000000 ] - [ -0.0005412900000000, 0.0003610000000000, -0.0020105900000000 ] - [ -0.0028352800000000, 0.0000000000000000, 0.0056869100000000 ] - [ -0.0021693800000000, 0.0006738900000000, -0.0020185100000000 ] - [ -0.0001478200000000, 0.0000000000000000, -0.0022017600000000 ] - [ -0.0005412900000000, -0.0003610000000000, -0.0020105900000000 ] - [ 0.0009238700000000, 0.0000000000000000, -0.0018009800000000 ] - [ -0.0021693800000000, -0.0006738900000000, -0.0020185100000000 ] - [ 0.0001745800000000, 0.0000000000000000, -0.0016560900000000 ] - [ -0.0002291400000000, 0.0001054200000000, -0.0015702600000000 ] - [ -0.0003044800000000, 0.0000000000000000, -0.0019993500000000 ] - [ -0.0002631700000000, -0.0000499900000000, -0.0014181500000000 ] - [ 0.0001430500000000, 0.0000000000000000, -0.0020485900000000 ] - [ -0.0001790700000000, -0.0000887400000000, -0.0015159800000000 ] - [ 0.0002712700000000, 0.0000000000000000, -0.0015286100000000 ] - [ -0.0000992000000000, 0.0000327700000000, -0.0015038500000000 ] - [ 0.0002159600000000, 0.0000000000000000, -0.0015448700000000 ] - [ -0.0003182800000000, 0.0001678700000000, -0.0014450800000000 ] - [ 0.0000154100000000, 0.0000000000000000, -0.0022090400000000 ] - [ -0.0001928400000000, -0.0001736400000000, -0.0014074600000000 ] - [ -0.0002649300000000, 0.0000000000000000, -0.0018605100000000 ] - [ -0.0001055400000000, -0.0001428800000000, -0.0015729800000000 ] - [ 0.0001805300000000, 0.0000000000000000, -0.0016131000000000 ] - [ -0.0001928400000000, 0.0001736400000000, -0.0014074600000000 ] - [ -0.0004381100000000, 0.0000000000000000, -0.0013380000000000 ] - [ -0.0026375200000000, -0.0010951700000000, -0.0019585900000000 ] - [ -0.0000045800000000, 0.0000000000000000, -0.0023163200000000 ] - [ 0.0002250900000000, 0.0000301200000000, -0.0008896700000000 ] - [ -0.0036703700000000, 0.0000000000000000, 0.0096496400000000 ] - [ -0.0026375200000000, 0.0010951700000000, -0.0019585900000000 ] - [ 0.0002235800000000, 0.0000000000000000, -0.0030595500000000 ] - [ -0.0005176600000000, 0.0004461800000000, -0.0022862900000000 ] - [ 0.0029670200000000, 0.0000000000000000, 0.0039447800000000 ] - [ -0.0002774000000000, 0.0000000000000000, 0.0006626300000000 ] - [ -0.0019613000000000, -0.0010418300000000, 0.0036509700000000 ] - [ -0.0019613000000000, 0.0010418300000000, 0.0036509700000000 ] - [ -0.0023463600000000, 0.0015669400000000, 0.0034085800000000 ] - [ -0.0002740000000000, 0.0000000000000000, 0.0002444500000000 ] - [ -0.0064399200000000, -0.0123164400000000, 0.0261197600000000 ] - [ 0.0038064000000000, 0.0000000000000000, 0.0036200100000000 ] - [ 0.0001022400000000, 0.0000000000000000, -0.0028141000000000 ] - [ -0.0000236900000000, 0.0000463100000000, -0.0009727400000000 ] - [ 0.0020202900000000, 0.0000000000000000, 0.0044768900000000 ] - [ 0.0018904700000000, -0.0000239200000000, -0.0008602600000000 ] - [ 0.0000249100000000, 0.0000000000000000, -0.0019327100000000 ] - [ -0.0000236900000000, -0.0000463100000000, -0.0009727400000000 ] - [ -0.0003470700000000, 0.0000000000000000, -0.0014146000000000 ] - [ 0.0018904700000000, 0.0000239200000000, -0.0008602600000000 ] - [ 0.0003019500000000, 0.0000000000000000, -0.0014727800000000 ] - [ -0.0001790700000000, 0.0000887400000000, -0.0015159800000000 ] - [ 0.0003887200000000, 0.0000000000000000, -0.0020871000000000 ] - [ -0.0000992000000000, -0.0000327700000000, -0.0015038500000000 ] - [ 0.0001616400000000, 0.0000000000000000, -0.0021274400000000 ] - [ -0.0002291400000000, -0.0001054200000000, -0.0015702600000000 ] - [ 0.0002487500000000, 0.0000000000000000, -0.0014859500000000 ] - [ -0.0002631700000000, 0.0000499900000000, -0.0014181500000000 ] - [ 0.0001777400000000, 0.0000000000000000, -0.0014871600000000 ] - [ -0.0001055400000000, 0.0001428800000000, -0.0015729800000000 ] - [ 0.0000080400000000, 0.0000000000000000, -0.0021507500000000 ] - [ -0.0001256000000000, -0.0001532800000000, -0.0013457600000000 ] - [ 0.0006422200000000, 0.0000000000000000, -0.0019979600000000 ] - [ -0.0003182800000000, -0.0001678700000000, -0.0014450800000000 ] - [ 0.0003605300000000, 0.0000000000000000, -0.0013721400000000 ] - [ -0.0001256000000000, 0.0001532800000000, -0.0013457600000000 ] - [ 0.0013280100000000, 0.0000000000000000, -0.0019495900000000 ] - [ 0.0025968500000000, 0.0000081500000000, -0.0005440400000000 ] - [ 0.0002429500000000, 0.0000000000000000, -0.0019702500000000 ] - [ -0.0005176600000000, -0.0004461800000000, -0.0022862900000000 ] - [ 0.0023839800000000, 0.0000000000000000, 0.0068909100000000 ] - [ 0.0025968500000000, -0.0000081500000000, -0.0005440400000000 ] - [ -0.0005148700000000, 0.0000000000000000, 0.0007913200000000 ] - [ 0.0002250900000000, -0.0000301200000000, -0.0008896700000000 ] - [ 0.0255505600000000, 0.0000000000000000, 0.0262792500000000 ] - [ 0.0006097900000000, 0.0000000000000000, -0.0078785900000000 ] - [ -0.0095431200000000, -0.0185460100000000, 0.0286842300000000 ] - [ -0.0095431200000000, 0.0185460100000000, 0.0286842300000000 ]- atom: 22 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0053299700000000, 0.0000000000000000, 0.0134123800000000 ] - [ 0.0108393200000000, 0.0000000000000000, -0.0096536900000000 ] - [ 0.0001741300000000, 0.0000000000000000, -0.0017643400000000 ] - [ -0.0006925400000000, 0.0000000000000000, -0.0021467400000000 ] - [ -0.0000195200000000, 0.0000000000000000, -0.0015702500000000 ] - [ -0.0000828900000000, 0.0000000000000000, -0.0017693100000000 ] - [ 0.0003394100000000, 0.0000000000000000, -0.0017998300000000 ] - [ -0.0001394700000000, 0.0000000000000000, -0.0017908300000000 ] - [ -0.0023302300000000, 0.0000000000000000, 0.0016776100000000 ] - [ -0.0006684800000000, 0.0000000000000000, -0.0022235400000000 ] - [ -0.0074515900000000, 0.0000000000000000, 0.0083633500000000 ] - [ -0.0024703600000000, 0.0000000000000000, 0.0009214900000000 ] - [ -0.0002226700000000, 0.0000000000000000, -0.0013451700000000 ] - [ 0.0004927200000000, 0.0000000000000000, -0.0011618100000000 ] - [ -0.0000168300000000, 0.0000000000000000, -0.0015221600000000 ] - [ 0.0000332900000000, 0.0000000000000000, -0.0017688200000000 ] - [ -0.0001691300000000, 0.0000000000000000, -0.0012488200000000 ] - [ 0.0000217600000000, 0.0000000000000000, -0.0017989300000000 ] - [ 0.0150793400000000, 0.0000000000000000, -0.0123812200000000 ] - [ 0.0009055100000000, 0.0000000000000000, -0.0010217100000000 ] - [ -0.0104545000000000, 0.0000000000000000, 0.0132034600000000 ] - [ 0.0228676200000000, 0.0000000000000000, 0.2251403800000000 ] - [ -0.0076239700000000, -0.0150306800000000, -0.0188421200000000 ] - [ 0.0002368500000000, 0.0000000000000000, -0.0046881000000000 ] - [ -0.0076239700000000, 0.0150306800000000, -0.0188421200000000 ] - [ 0.0002609900000000, 0.0000831200000000, -0.0023421100000000 ] - [ 0.0000601500000000, 0.0000000000000000, -0.0026285500000000 ] - [ 0.0000183900000000, 0.0000000000000000, -0.0025993200000000 ] - [ -0.0005151700000000, -0.0001939900000000, -0.0025490300000000 ] - [ 0.0000466400000000, 0.0000000000000000, -0.0024805800000000 ] - [ -0.0026738400000000, 0.0000000000000000, -0.0025934700000000 ] - [ -0.0000311700000000, 0.0000688200000000, -0.0024170700000000 ] - [ -0.0000461400000000, -0.0000677200000000, -0.0024107300000000 ] - [ 0.0000757100000000, 0.0000000000000000, -0.0026211800000000 ] - [ -0.0005084900000000, 0.0000757800000000, -0.0025704100000000 ] - [ -0.0032532200000000, 0.0000000000000000, -0.0026111900000000 ] - [ -0.0005084900000000, -0.0000757800000000, -0.0025704100000000 ] - [ 0.0012972900000000, -0.0004936500000000, 0.0026353000000000 ] - [ -0.0106772300000000, 0.0198970400000000, -0.0230708200000000 ] - [ -0.0002861600000000, 0.0000000000000000, -0.0009570800000000 ] - [ 0.0069184700000000, 0.0000000000000000, 0.0220700400000000 ] - [ 0.0004331900000000, 0.0000000000000000, 0.0104103700000000 ] - [ 0.0011995600000000, -0.0003757600000000, 0.0016112200000000 ] - [ -0.0004197300000000, 0.0000000000000000, -0.0012037200000000 ] - [ 0.0011995600000000, 0.0003757600000000, 0.0016112200000000 ] - [ -0.0005151700000000, 0.0001939900000000, -0.0025490300000000 ] - [ 0.0000899900000000, 0.0000000000000000, -0.0024453400000000 ] - [ 0.0000404300000000, 0.0000000000000000, -0.0024508100000000 ] - [ 0.0002609900000000, -0.0000831200000000, -0.0023421100000000 ] - [ 0.0002065900000000, 0.0000000000000000, -0.0027546400000000 ] - [ 0.0020596300000000, 0.0000000000000000, -0.0033198700000000 ] - [ -0.0000461400000000, 0.0000677200000000, -0.0024107300000000 ] - [ -0.0000311700000000, -0.0000688200000000, -0.0024170700000000 ] - [ -0.0000521600000000, 0.0000000000000000, -0.0024200100000000 ] - [ 0.0005484000000000, -0.0000856800000000, -0.0023284700000000 ] - [ 0.0028717500000000, 0.0000000000000000, -0.0035614400000000 ] - [ 0.0005484000000000, 0.0000856800000000, -0.0023284700000000 ] - [ -0.0106772300000000, -0.0198970400000000, -0.0230708200000000 ] - [ 0.0012972900000000, 0.0004936500000000, 0.0026353000000000 ] - [ 0.0004609200000000, 0.0000000000000000, -0.0056348100000000 ] - [ 0.0068480900000000, -0.0127471700000000, -0.0266300600000000 ] - [ -0.0006640200000000, 0.0000000000000000, 0.0061027800000000 ] - [ 0.0022964300000000, 0.0012897100000000, -0.0034250500000000 ] - [ -0.0190000700000000, 0.0000000000000000, -0.0260721000000000 ] - [ 0.0004183300000000, 0.0000000000000000, -0.0003988500000000 ] - [ 0.0004189000000000, -0.0003872700000000, 0.0021039600000000 ] - [ 0.0029786100000000, 0.0000000000000000, -0.0059480600000000 ] - [ 0.0020668500000000, -0.0006718300000000, 0.0019919800000000 ] - [ -0.0001541600000000, 0.0000000000000000, 0.0023608400000000 ] - [ 0.0004189000000000, 0.0003872700000000, 0.0021039600000000 ] - [ -0.0010221400000000, 0.0000000000000000, 0.0018246600000000 ] - [ 0.0020668500000000, 0.0006718300000000, 0.0019919800000000 ] - [ -0.0002345600000000, 0.0000000000000000, 0.0015937400000000 ] - [ 0.0002109400000000, -0.0002306500000000, 0.0014344500000000 ] - [ 0.0002621500000000, 0.0000000000000000, 0.0018944700000000 ] - [ 0.0002805100000000, 0.0002708000000000, 0.0014506400000000 ] - [ -0.0000161300000000, 0.0000000000000000, 0.0020745400000000 ] - [ 0.0001609200000000, 0.0002145300000000, 0.0013800700000000 ] - [ -0.0003071200000000, 0.0000000000000000, 0.0015807300000000 ] - [ 0.0001149900000000, -0.0002530600000000, 0.0015369200000000 ] - [ -0.0003823700000000, 0.0000000000000000, 0.0015819500000000 ] - [ 0.0002645600000000, -0.0001430000000000, 0.0013768300000000 ] - [ -0.0001735600000000, 0.0000000000000000, 0.0020497800000000 ] - [ 0.0002650300000000, 0.0001726400000000, 0.0016115100000000 ] - [ 0.0005233900000000, 0.0000000000000000, 0.0018012000000000 ] - [ 0.0000531200000000, 0.0001185900000000, 0.0015037700000000 ] - [ -0.0001601600000000, 0.0000000000000000, 0.0016929900000000 ] - [ 0.0002650300000000, -0.0001726400000000, 0.0016115100000000 ] - [ 0.0005199600000000, 0.0000000000000000, 0.0013603000000000 ] - [ 0.0026650800000000, 0.0011298400000000, 0.0019671400000000 ] - [ 0.0000556700000000, 0.0000000000000000, 0.0023515400000000 ] - [ -0.0000027000000000, 0.0000828200000000, 0.0008497100000000 ] - [ 0.0036369900000000, 0.0000000000000000, -0.0093692300000000 ] - [ 0.0026650800000000, -0.0011298400000000, 0.0019671400000000 ] - [ 0.0001109700000000, 0.0000000000000000, 0.0029941800000000 ] - [ 0.0007354300000000, -0.0005539700000000, 0.0022380500000000 ] - [ -0.0030019700000000, 0.0000000000000000, -0.0037145100000000 ] - [ 0.0003144600000000, 0.0000000000000000, -0.0006701400000000 ] - [ 0.0020609800000000, 0.0010943600000000, -0.0035877600000000 ] - [ 0.0020609800000000, -0.0010943600000000, -0.0035877600000000 ] - [ 0.0022964300000000, -0.0012897100000000, -0.0034250500000000 ] - [ 0.0000782700000000, 0.0000000000000000, 0.0000353800000000 ] - [ 0.0068480900000000, 0.0127471700000000, -0.0266300600000000 ] - [ -0.0038449900000000, 0.0000000000000000, -0.0036475200000000 ] - [ -0.0002683600000000, 0.0000000000000000, 0.0027293300000000 ] - [ -0.0001018000000000, -0.0000674700000000, 0.0010578200000000 ] - [ -0.0018715900000000, 0.0000000000000000, -0.0047260400000000 ] - [ -0.0020068600000000, 0.0000295300000000, 0.0008254000000000 ] - [ -0.0003285300000000, 0.0000000000000000, 0.0020892000000000 ] - [ -0.0001018000000000, 0.0000674700000000, 0.0010578200000000 ] - [ 0.0002597000000000, 0.0000000000000000, 0.0014334500000000 ] - [ -0.0020068600000000, -0.0000295300000000, 0.0008254000000000 ] - [ -0.0003632100000000, 0.0000000000000000, 0.0014090600000000 ] - [ 0.0001609200000000, -0.0002145300000000, 0.0013800700000000 ] - [ -0.0004354300000000, 0.0000000000000000, 0.0019805200000000 ] - [ 0.0001149900000000, 0.0002530600000000, 0.0015369200000000 ] - [ -0.0000345300000000, 0.0000000000000000, 0.0021527500000000 ] - [ 0.0002109400000000, 0.0002306500000000, 0.0014344500000000 ] - [ -0.0002851200000000, 0.0000000000000000, 0.0015379400000000 ] - [ 0.0002805100000000, -0.0002708000000000, 0.0014506400000000 ] - [ -0.0003452000000000, 0.0000000000000000, 0.0015237800000000 ] - [ 0.0000531200000000, -0.0001185900000000, 0.0015037700000000 ] - [ -0.0001657900000000, 0.0000000000000000, 0.0019909000000000 ] - [ 0.0001982300000000, 0.0001523200000000, 0.0015499600000000 ] - [ -0.0003791800000000, 0.0000000000000000, 0.0019399200000000 ] - [ 0.0002645600000000, 0.0001430000000000, 0.0013768300000000 ] - [ -0.0003390300000000, 0.0000000000000000, 0.0014535900000000 ] - [ 0.0001982300000000, -0.0001523200000000, 0.0015499600000000 ] - [ -0.0012345100000000, 0.0000000000000000, 0.0019657100000000 ] - [ -0.0025538300000000, 0.0000308000000000, 0.0005573200000000 ] - [ -0.0001897100000000, 0.0000000000000000, 0.0020074200000000 ] - [ 0.0007354300000000, 0.0005539700000000, 0.0022380500000000 ] - [ -0.0024182200000000, 0.0000000000000000, -0.0066285100000000 ] - [ -0.0025538300000000, -0.0000308000000000, 0.0005573200000000 ] - [ 0.0008358200000000, 0.0000000000000000, -0.0008632700000000 ] - [ -0.0000027000000000, -0.0000828200000000, 0.0008497100000000 ] - [ -0.0240007000000000, 0.0000000000000000, -0.0252050700000000 ] - [ -0.0005752800000000, 0.0000000000000000, 0.0078051700000000 ] - [ 0.0091224900000000, 0.0177617600000000, -0.0281765800000000 ] - [ 0.0091224900000000, -0.0177617600000000, -0.0281765800000000 ]- atom: 23 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0023378800000000, -0.0005362900000000, -0.0052435100000000 ] - [ 0.0149125000000000, 0.0119298600000000, -0.0018407100000000 ] - [ -0.0006504900000000, 0.0003740200000000, -0.0007030800000000 ] - [ -0.0095994800000000, 0.0072714300000000, 0.0076326100000000 ] - [ -0.0000920700000000, 0.0000040700000000, 0.0001167800000000 ] - [ -0.0001359400000000, 0.0000331100000000, 0.0004466200000000 ] - [ -0.0000695500000000, 0.0000053300000000, 0.0001627400000000 ] - [ 0.0000081100000000, 0.0000015300000000, 0.0000952100000000 ] - [ 0.0015359300000000, 0.0001177400000000, 0.0002507000000000 ] - [ 0.0000059800000000, 0.0000398900000000, 0.0004067200000000 ] - [ 0.0025368800000000, 0.0002750700000000, 0.0004730100000000 ] - [ 0.0185147700000000, 0.0145385800000000, -0.0021398500000000 ] - [ 0.0013882900000000, 0.0000815800000000, 0.0005714700000000 ] - [ 0.0028908600000000, 0.0007175100000000, -0.0008751300000000 ] - [ 0.0001042600000000, 0.0000033600000000, 0.0000684100000000 ] - [ 0.0001406300000000, 0.0000312100000000, -0.0001263600000000 ] - [ 0.0001315700000000, 0.0000042500000000, 0.0000887400000000 ] - [ 0.0000000400000000, 0.0000015600000000, 0.0000996500000000 ] - [ -0.0010481700000000, 0.0004946900000000, -0.0003990800000000 ] - [ 0.0001554200000000, 0.0000425100000000, -0.0001512300000000 ] - [ 0.0078964600000000, -0.0044598900000000, -0.0076737800000000 ] - [ -0.0136351600000000, 0.0108321900000000, 0.0096716300000000 ] - [ -0.1651224500000000, -0.0263562000000000, -0.0146991800000000 ] - [ -0.0034551100000000, -0.0007594000000000, -0.0078204500000000 ] - [ -0.0236474600000000, -0.0000723600000000, 0.0103810200000000 ] - [ 0.0011072800000000, 0.0001044600000000, -0.0010980200000000 ] - [ -0.0000622900000000, -0.0000012400000000, 0.0002296700000000 ] - [ -0.0002817800000000, -0.0000137400000000, 0.0002754900000000 ] - [ -0.0018794900000000, 0.0004519500000000, 0.0025334500000000 ] - [ 0.0001070200000000, -0.0000019500000000, 0.0000812100000000 ] - [ 0.0108990600000000, -0.0128170900000000, 0.0091918000000000 ] - [ 0.0000001700000000, -0.0000807600000000, 0.0002552200000000 ] - [ 0.0000253700000000, 0.0000418200000000, 0.0000734600000000 ] - [ -0.0006595500000000, -0.0000958500000000, -0.0001166600000000 ] - [ 0.0001488200000000, -0.0000472700000000, 0.0002398200000000 ] - [ 0.0008407200000000, -0.0000903100000000, 0.0003912400000000 ] - [ 0.0001571200000000, 0.0000471500000000, 0.0002508900000000 ] - [ 0.0007662700000000, 0.0000859100000000, -0.0012971100000000 ] - [ -0.0012000300000000, 0.0000941300000000, 0.0024353000000000 ] - [ 0.0002734000000000, -0.0000069500000000, -0.0001030500000000 ] - [ 0.0098460800000000, -0.0116257500000000, 0.0079154800000000 ] - [ 0.0042298000000000, 0.0011275500000000, -0.0017894100000000 ] - [ 0.0055093700000000, -0.0007569900000000, -0.0014017600000000 ] - [ 0.0033427100000000, 0.0004467300000000, 0.0014248000000000 ] - [ 0.0089470000000000, 0.0006750200000000, -0.0000194800000000 ] - [ -0.0026050900000000, -0.0004743200000000, 0.0013860100000000 ] - [ 0.0000548400000000, -0.0000015400000000, 0.0001711300000000 ] - [ 0.0001848900000000, -0.0000035500000000, 0.0000126800000000 ] - [ 0.0012389800000000, -0.0001067900000000, -0.0009589600000000 ] - [ -0.0000113300000000, -0.0000017100000000, 0.0001492900000000 ] - [ 0.0087947300000000, -0.0048377400000000, -0.0079740600000000 ] - [ 0.0000194900000000, -0.0000418800000000, 0.0000673300000000 ] - [ 0.0000078900000000, 0.0000804200000000, 0.0002644700000000 ] - [ 0.0006959500000000, -0.0000771600000000, 0.0004923200000000 ] - [ 0.0001046400000000, -0.0000073200000000, 0.0000651100000000 ] - [ -0.0007143200000000, -0.0001342500000000, -0.0000383700000000 ] - [ 0.0001110300000000, 0.0000065100000000, 0.0000736100000000 ] - [ -0.0021126500000000, -0.0000821600000000, 0.0014100800000000 ] - [ 0.0009832100000000, -0.0000802200000000, -0.0011519000000000 ] - [ -0.0001784000000000, -0.0000179000000000, 0.0003785900000000 ] - [ 0.0383634900000000, 0.0027830700000000, 0.0165415200000000 ] - [ 0.0190769000000000, 0.0141265900000000, -0.0081652600000000 ] - [ -0.0066547500000000, -0.0009159100000000, 0.0029551400000000 ] - [ 0.0172100900000000, -0.0099579800000000, -0.0064455600000000 ] - [ -0.0066304100000000, 0.0010270300000000, 0.0009344100000000 ] - [ 0.0030061400000000, -0.0007035100000000, 0.0022991400000000 ] - [ 0.0209356000000000, 0.0137043300000000, -0.0111586800000000 ] - [ 0.0034093800000000, -0.0000371400000000, -0.0019990400000000 ] - [ 0.0004685100000000, -0.0001159000000000, 0.0000118000000000 ] - [ 0.0038009700000000, 0.0004621300000000, -0.0001110300000000 ] - [ -0.0011706300000000, -0.0000265700000000, 0.0018565800000000 ] - [ 0.0403075600000000, 0.0049946900000000, 0.0220340000000000 ] - [ 0.0007973300000000, 0.0000936300000000, -0.0004150300000000 ] - [ 0.0000656800000000, -0.0000677800000000, -0.0002366700000000 ] - [ -0.0003722500000000, 0.0012858300000000, -0.0051004500000000 ] - [ -0.0004324500000000, -0.0000900500000000, -0.0007342000000000 ] - [ 0.0000508200000000, -0.0000005200000000, -0.0000974900000000 ] - [ -0.0000756500000000, 0.0000574100000000, -0.0000791800000000 ] - [ 0.0000911400000000, -0.0000044900000000, 0.0000059900000000 ] - [ 0.0003656100000000, -0.0001938000000000, 0.0003430700000000 ] - [ -0.0000287100000000, 0.0000009100000000, -0.0001268200000000 ] - [ -0.0000802800000000, 0.0000307800000000, -0.0001492600000000 ] - [ 0.0000166000000000, 0.0000046800000000, -0.0000991300000000 ] - [ 0.0000556400000000, -0.0000070500000000, 0.0000100700000000 ] - [ 0.0000235100000000, 0.0000109000000000, -0.0003389000000000 ] - [ -0.0000032100000000, -0.0000164900000000, -0.0001321200000000 ] - [ 0.0000534800000000, 0.0000013500000000, -0.0001039300000000 ] - [ 0.0000562300000000, 0.0000072200000000, 0.0000074100000000 ] - [ -0.0000888800000000, -0.0000107500000000, -0.0001694600000000 ] - [ -0.0005917100000000, 0.0001703600000000, -0.0008753200000000 ] - [ 0.0000443100000000, -0.0000014200000000, -0.0001640300000000 ] - [ 0.0000724200000000, 0.0000565500000000, -0.0000116500000000 ] - [ -0.0006192400000000, 0.0011788800000000, -0.0039819700000000 ] - [ -0.0005112100000000, -0.0001375700000000, -0.0006660600000000 ] - [ 0.0008465900000000, 0.0001269000000000, -0.0004406400000000 ] - [ 0.0001510600000000, -0.0000408300000000, -0.0002194900000000 ] - [ -0.0007835100000000, -0.0000808000000000, 0.0019582200000000 ] - [ -0.0004039100000000, -0.0000111500000000, 0.0003314700000000 ] - [ -0.0013952600000000, -0.0000553400000000, 0.0001160700000000 ] - [ -0.0016400000000000, 0.0000918700000000, 0.0004457600000000 ] - [ -0.0032284400000000, 0.0004009800000000, 0.0007550100000000 ] - [ -0.0045437200000000, -0.0009143200000000, 0.0001232700000000 ] - [ 0.0036506500000000, -0.0002084200000000, -0.0019046300000000 ] - [ -0.0062915300000000, 0.0008509300000000, 0.0004065400000000 ] - [ 0.0168200500000000, -0.0109826200000000, -0.0106970700000000 ] - [ -0.0017937600000000, 0.0001084900000000, 0.0000371400000000 ] - [ -0.0044179500000000, -0.0009247200000000, 0.0001958900000000 ] - [ -0.0065610300000000, -0.0003911500000000, 0.0020658700000000 ] - [ -0.0006486600000000, -0.0000063400000000, 0.0002667700000000 ] - [ -0.0016053400000000, -0.0001557100000000, -0.0001970500000000 ] - [ -0.0002521400000000, -0.0012037200000000, -0.0030981900000000 ] - [ -0.0034706100000000, 0.0003798400000000, 0.0003034600000000 ] - [ -0.0006667500000000, 0.0000057400000000, 0.0002372000000000 ] - [ -0.0000831500000000, -0.0000582100000000, -0.0000642500000000 ] - [ -0.0006311700000000, 0.0000251100000000, 0.0022502100000000 ] - [ 0.0002539500000000, 0.0001952200000000, 0.0004964300000000 ] - [ 0.0000887600000000, -0.0000010100000000, -0.0001662900000000 ] - [ 0.0000659100000000, 0.0000634300000000, -0.0002585900000000 ] - [ -0.0001234300000000, -0.0000098700000000, -0.0001753900000000 ] - [ -0.0005331500000000, 0.0001336400000000, -0.0009377600000000 ] - [ -0.0000928700000000, 0.0000004800000000, -0.0000537600000000 ] - [ -0.0000025400000000, 0.0000166300000000, -0.0001334900000000 ] - [ -0.0001687700000000, 0.0000106900000000, -0.0004269800000000 ] - [ -0.0000154600000000, -0.0000217800000000, -0.0000169700000000 ] - [ 0.0002358600000000, 0.0000059000000000, -0.0000659500000000 ] - [ -0.0000800600000000, -0.0000302800000000, -0.0001468400000000 ] - [ 0.0000060500000000, 0.0000013400000000, -0.0000308000000000 ] - [ -0.0000160000000000, 0.0000224000000000, -0.0000208300000000 ] - [ 0.0001968000000000, -0.0000059900000000, -0.0000454200000000 ] - [ 0.0005254700000000, -0.0000720900000000, 0.0002711700000000 ] - [ 0.0000236900000000, -0.0000006500000000, -0.0000900300000000 ] - [ 0.0001500700000000, 0.0000359500000000, -0.0002445900000000 ] - [ -0.0003677200000000, 0.0000027900000000, 0.0025122300000000 ] - [ 0.0003747200000000, 0.0000653200000000, 0.0004660600000000 ] - [ -0.0004080800000000, 0.0000098500000000, 0.0003243600000000 ] - [ 0.0000629000000000, -0.0000574600000000, 0.0000069200000000 ] - [ -0.0005502600000000, -0.0012368900000000, -0.0033326900000000 ] - [ 0.0005611700000000, -0.0001468400000000, -0.0003975900000000 ] - [ 0.0037966300000000, 0.0002396700000000, -0.0006931200000000 ] - [ 0.0028340400000000, -0.0002590000000000, 0.0020379100000000 ]- atom: 23 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0024135800000000, 0.0005268300000000, 0.0050635400000000 ] - [ -0.0149045400000000, -0.0117485300000000, 0.0018054900000000 ] - [ 0.0005284100000000, -0.0003739900000000, 0.0006898100000000 ] - [ 0.0094600700000000, -0.0072652200000000, -0.0075392300000000 ] - [ 0.0000771400000000, -0.0000038600000000, -0.0001459700000000 ] - [ 0.0002070300000000, -0.0000326400000000, -0.0004530800000000 ] - [ 0.0001137800000000, -0.0000047700000000, -0.0001237100000000 ] - [ -0.0000056200000000, -0.0000014000000000, -0.0001544900000000 ] - [ -0.0015856100000000, -0.0001199400000000, -0.0003219300000000 ] - [ 0.0002367200000000, -0.0000397200000000, -0.0004484400000000 ] - [ -0.0024778900000000, -0.0002829700000000, -0.0006202400000000 ] - [ -0.0188839100000000, -0.0147680700000000, 0.0021020000000000 ] - [ -0.0015046300000000, -0.0000806400000000, -0.0005929600000000 ] - [ -0.0030910000000000, -0.0007042000000000, 0.0009436400000000 ] - [ -0.0001188300000000, -0.0000028200000000, -0.0000975600000000 ] - [ -0.0000718300000000, -0.0000305900000000, 0.0001194800000000 ] - [ -0.0000885600000000, -0.0000042300000000, -0.0000496900000000 ] - [ 0.0000027100000000, -0.0000011600000000, -0.0001591600000000 ] - [ 0.0010031300000000, -0.0004946800000000, 0.0003205800000000 ] - [ 0.0000894500000000, -0.0000423200000000, 0.0001093500000000 ] - [ -0.0077632200000000, 0.0045374400000000, 0.0077080900000000 ] - [ 0.0137120800000000, -0.0108225300000000, -0.0096825500000000 ] - [ 0.1654056000000000, 0.0260632400000000, 0.0149436700000000 ] - [ 0.0031260400000000, 0.0007630800000000, 0.0079843900000000 ] - [ 0.0236878000000000, 0.0004055800000000, -0.0104030000000000 ] - [ -0.0011835700000000, 0.0000767300000000, 0.0010745900000000 ] - [ 0.0000627000000000, 0.0000014500000000, -0.0001852200000000 ] - [ 0.0001904800000000, 0.0000137600000000, -0.0002205800000000 ] - [ 0.0018172500000000, -0.0006331600000000, -0.0025517500000000 ] - [ -0.0000038400000000, 0.0000020000000000, -0.0002050900000000 ] - [ -0.0112947800000000, 0.0128636100000000, -0.0092762800000000 ] - [ 0.0000432700000000, -0.0000016700000000, -0.0002771000000000 ] - [ 0.0000186700000000, 0.0000408700000000, -0.0000947400000000 ] - [ 0.0005323100000000, 0.0000959700000000, 0.0001809200000000 ] - [ 0.0001233300000000, 0.0000198700000000, -0.0002750300000000 ] - [ -0.0009238700000000, 0.0000906600000000, -0.0004013600000000 ] - [ 0.0001136800000000, -0.0000191900000000, -0.0002868400000000 ] - [ -0.0007103800000000, -0.0000578000000000, 0.0012190500000000 ] - [ 0.0012437600000000, -0.0001203900000000, -0.0025190700000000 ] - [ -0.0001784300000000, 0.0000073000000000, 0.0000834900000000 ] - [ -0.0096795200000000, 0.0115827200000000, -0.0078669700000000 ] - [ -0.0040667600000000, -0.0011466600000000, 0.0018020300000000 ] - [ -0.0054728000000000, 0.0004607700000000, 0.0013723400000000 ] - [ -0.0036455400000000, -0.0004447000000000, -0.0013138700000000 ] - [ -0.0089089600000000, -0.0003773800000000, -0.0000048700000000 ] - [ 0.0025430000000000, 0.0006552000000000, -0.0014056900000000 ] - [ -0.0000541100000000, 0.0000017900000000, -0.0001264800000000 ] - [ -0.0002765400000000, 0.0000036000000000, 0.0000395300000000 ] - [ -0.0013145300000000, -0.0000740900000000, 0.0009371400000000 ] - [ 0.0001132700000000, 0.0000007400000000, -0.0002725200000000 ] - [ -0.0091428800000000, 0.0047535800000000, 0.0079086800000000 ] - [ 0.0000245100000000, -0.0000405700000000, -0.0000882500000000 ] - [ 0.0000370800000000, 0.0000023200000000, -0.0002860100000000 ] - [ -0.0008201700000000, 0.0000771400000000, -0.0004312600000000 ] - [ 0.0001686200000000, -0.0000209800000000, -0.0001001600000000 ] - [ 0.0006335600000000, 0.0001343200000000, 0.0000252700000000 ] - [ 0.0001606100000000, 0.0000213600000000, -0.0001098200000000 ] - [ 0.0021547500000000, 0.0001086700000000, -0.0014930600000000 ] - [ -0.0009290700000000, 0.0000522900000000, 0.0010706100000000 ] - [ 0.0002729900000000, 0.0000181000000000, -0.0004006100000000 ] - [ -0.0365354800000000, -0.0023241100000000, -0.0150760000000000 ] - [ -0.0192138800000000, -0.0137199400000000, 0.0081721200000000 ] - [ 0.0066566100000000, 0.0006456800000000, -0.0030033300000000 ] - [ -0.0172204200000000, 0.0101374500000000, 0.0065794500000000 ] - [ 0.0064702800000000, -0.0010340500000000, -0.0010005300000000 ] - [ -0.0031409800000000, 0.0006862700000000, -0.0022208300000000 ] - [ -0.0208178600000000, -0.0140968400000000, 0.0112152500000000 ] - [ -0.0035503800000000, 0.0000456300000000, 0.0019717300000000 ] - [ -0.0007732500000000, 0.0001164800000000, 0.0001411100000000 ] - [ -0.0039370400000000, -0.0004434600000000, 0.0001910000000000 ] - [ 0.0010929800000000, 0.0000233300000000, -0.0018373000000000 ] - [ -0.0424501700000000, -0.0051657800000000, -0.0238032700000000 ] - [ -0.0008583100000000, -0.0000939600000000, 0.0003505800000000 ] - [ -0.0000848100000000, -0.0000572800000000, 0.0001019800000000 ] - [ 0.0003245000000000, -0.0012836000000000, 0.0050043700000000 ] - [ 0.0004469100000000, 0.0003110800000000, 0.0007698300000000 ] - [ 0.0000754400000000, 0.0000005700000000, 0.0001221700000000 ] - [ 0.0000573800000000, 0.0000684400000000, -0.0000568800000000 ] - [ -0.0001280700000000, 0.0000046200000000, 0.0000461800000000 ] - [ -0.0003483800000000, -0.0000268800000000, -0.0003115400000000 ] - [ -0.0001379000000000, -0.0000008800000000, 0.0001638800000000 ] - [ 0.0000266600000000, -0.0000059700000000, 0.0000815000000000 ] - [ -0.0001743000000000, -0.0000044700000000, -0.0000585900000000 ] - [ 0.0000162000000000, 0.0000059200000000, 0.0001953100000000 ] - [ 0.0002366100000000, -0.0000108300000000, 0.0002747100000000 ] - [ -0.0000504600000000, -0.0000081700000000, 0.0000626200000000 ] - [ -0.0000332200000000, -0.0000011600000000, 0.0001847000000000 ] - [ 0.0000155200000000, -0.0000058600000000, 0.0001957100000000 ] - [ 0.0001751500000000, 0.0000108200000000, 0.0001888800000000 ] - [ 0.0006306800000000, -0.0001370700000000, 0.0008760300000000 ] - [ 0.0000077200000000, 0.0000015900000000, 0.0002023200000000 ] - [ 0.0001476800000000, 0.0000556500000000, -0.0000313600000000 ] - [ 0.0005851700000000, -0.0011792700000000, 0.0042281200000000 ] - [ 0.0005503900000000, 0.0001046200000000, 0.0006654700000000 ] - [ -0.0005233000000000, -0.0001263100000000, 0.0003612200000000 ] - [ 0.0000697300000000, -0.0000711500000000, 0.0001749800000000 ] - [ 0.0007498700000000, 0.0000847200000000, -0.0017364500000000 ] - [ 0.0004424900000000, 0.0000116000000000, -0.0003512500000000 ] - [ 0.0014927800000000, 0.0001060800000000, -0.0000638200000000 ] - [ 0.0017399100000000, -0.0001426000000000, -0.0004011900000000 ] - [ 0.0031604600000000, -0.0001214800000000, -0.0007721700000000 ] - [ 0.0043434400000000, 0.0009216700000000, 0.0001790000000000 ] - [ -0.0036738200000000, -0.0000692000000000, 0.0018956800000000 ] - [ 0.0062409100000000, -0.0008428400000000, -0.0004355300000000 ] - [ -0.0170160500000000, 0.0107610600000000, 0.0104310000000000 ] - [ 0.0016678000000000, -0.0001298800000000, 0.0000638100000000 ] - [ 0.0045642900000000, 0.0009165400000000, -0.0004413500000000 ] - [ 0.0064006100000000, 0.0003961100000000, -0.0020572000000000 ] - [ 0.0003465800000000, 0.0000064200000000, -0.0001084400000000 ] - [ 0.0014822800000000, 0.0001774200000000, 0.0002915600000000 ] - [ 0.0001544000000000, 0.0012019400000000, 0.0031231000000000 ] - [ 0.0033741700000000, -0.0003857300000000, -0.0003191600000000 ] - [ 0.0006079900000000, -0.0000057100000000, -0.0002982000000000 ] - [ 0.0000649600000000, -0.0000673700000000, -0.0000697600000000 ] - [ 0.0005969500000000, -0.0000222300000000, -0.0023488100000000 ] - [ -0.0002360500000000, 0.0000258800000000, -0.0004623500000000 ] - [ 0.0000371600000000, 0.0000011300000000, 0.0001907500000000 ] - [ -0.0000854700000000, 0.0000611600000000, 0.0001215500000000 ] - [ 0.0000854900000000, 0.0000100500000000, 0.0002283700000000 ] - [ 0.0005472000000000, -0.0003544900000000, 0.0009703900000000 ] - [ -0.0000734700000000, -0.0000004000000000, 0.0000908100000000 ] - [ -0.0000510900000000, 0.0000081700000000, 0.0000659000000000 ] - [ 0.0000107500000000, -0.0000105500000000, 0.0002702000000000 ] - [ 0.0000873600000000, 0.0000204800000000, 0.0002225800000000 ] - [ 0.0000238800000000, -0.0000058400000000, 0.0000025100000000 ] - [ 0.0000263400000000, 0.0000056300000000, 0.0000771600000000 ] - [ 0.0000143700000000, -0.0000006700000000, 0.0001111500000000 ] - [ 0.0000877800000000, -0.0000207700000000, 0.0002241400000000 ] - [ -0.0001111800000000, 0.0000060900000000, 0.0000656100000000 ] - [ -0.0004890600000000, 0.0001049300000000, -0.0002694200000000 ] - [ 0.0000290000000000, 0.0000009500000000, 0.0001280200000000 ] - [ 0.0000708300000000, 0.0000763600000000, 0.0002023600000000 ] - [ 0.0003207100000000, -0.0000057900000000, -0.0022613200000000 ] - [ -0.0003389600000000, -0.0000979900000000, -0.0004652300000000 ] - [ 0.0007289600000000, -0.0000098600000000, -0.0004067500000000 ] - [ 0.0001571200000000, -0.0000545000000000, -0.0000521700000000 ] - [ 0.0005313600000000, 0.0012366100000000, 0.0035529800000000 ] - [ -0.0005206800000000, 0.0001465500000000, 0.0003829800000000 ] - [ -0.0036875900000000, -0.0001892800000000, 0.0007584800000000 ] - [ -0.0027281800000000, 0.0002083700000000, -0.0019701500000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002216500000000, 0.0003844600000000, -0.0083958400000000 ] - [ 0.0111855800000000, 0.0023512200000000, 0.0028486700000000 ] - [ 0.0008567900000000, -0.0000067300000000, 0.0004595800000000 ] - [ 0.0068973800000000, 0.0023203700000000, 0.0108225700000000 ] - [ 0.0000144700000000, 0.0000000700000000, 0.0000294600000000 ] - [ 0.0000098000000000, 0.0000016700000000, 0.0000950700000000 ] - [ 0.0000384500000000, -0.0000000700000000, 0.0000748900000000 ] - [ 0.0000082500000000, 0.0000001000000000, 0.0000295800000000 ] - [ 0.0000814900000000, 0.0000047700000000, -0.0000237500000000 ] - [ 0.0001783600000000, 0.0000025500000000, 0.0000483100000000 ] - [ -0.0001060700000000, 0.0000162900000000, -0.0003881300000000 ] - [ 0.0140987500000000, 0.0028298000000000, 0.0035190200000000 ] - [ 0.0000720500000000, 0.0000057100000000, 0.0001796700000000 ] - [ 0.0005494100000000, 0.0000162400000000, 0.0009154600000000 ] - [ 0.0000083800000000, 0.0000002300000000, 0.0000517500000000 ] - [ 0.0001278300000000, 0.0000002300000000, 0.0001316300000000 ] - [ 0.0000271000000000, 0.0000000700000000, 0.0000751800000000 ] - [ 0.0000017400000000, 0.0000001400000000, 0.0000348000000000 ] - [ 0.0003888000000000, -0.0000130200000000, 0.0005143200000000 ] - [ 0.0001454100000000, 0.0000001300000000, 0.0000979900000000 ] - [ -0.0103676700000000, 0.0003905800000000, 0.0033927600000000 ] - [ 0.0104587600000000, 0.0034575100000000, 0.0134652800000000 ] - [ -0.0261713500000000, -0.2017408300000000, -0.0182749100000000 ] - [ 0.0002518500000000, 0.0005184100000000, -0.0120591700000000 ] - [ 0.0002568200000000, 0.0763613600000000, 0.0014634000000000 ] - [ -0.0000108000000000, -0.0013613500000000, 0.0001746100000000 ] - [ -0.0000020200000000, -0.0000001300000000, 0.0000979700000000 ] - [ -0.0000491600000000, -0.0000005100000000, -0.0000391700000000 ] - [ -0.0006077600000000, 0.0002749300000000, -0.0000111000000000 ] - [ 0.0000438000000000, -0.0000001400000000, 0.0000185900000000 ] - [ -0.0054555100000000, 0.0008414200000000, -0.0034077200000000 ] - [ -0.0000072300000000, -0.0000770100000000, 0.0000722500000000 ] - [ 0.0000312600000000, 0.0000705300000000, 0.0000687300000000 ] - [ -0.0000650200000000, -0.0000001600000000, -0.0000440000000000 ] - [ 0.0001392800000000, -0.0000382900000000, 0.0000536100000000 ] - [ -0.0001626800000000, -0.0000068900000000, 0.0000311800000000 ] - [ 0.0001394100000000, 0.0000385300000000, 0.0000533800000000 ] - [ -0.0001611900000000, -0.0010582700000000, 0.0000114500000000 ] - [ 0.0001594000000000, 0.0002042800000000, 0.0000114400000000 ] - [ 0.0000102100000000, 0.0000007700000000, -0.0000232100000000 ] - [ -0.0050524900000000, 0.0000928500000000, -0.0038366000000000 ] - [ 0.0010754700000000, -0.0000040400000000, 0.0000834100000000 ] - [ -0.0005883600000000, -0.0007692000000000, -0.0009148000000000 ] - [ -0.0005196900000000, -0.0000054900000000, 0.0001654800000000 ] - [ -0.0005052300000000, 0.0007733400000000, -0.0008909800000000 ] - [ -0.0006136800000000, -0.0002736900000000, -0.0000220200000000 ] - [ -0.0000041000000000, -0.0000000400000000, 0.0001094800000000 ] - [ -0.0000710400000000, 0.0000002800000000, 0.0000346000000000 ] - [ -0.0000085000000000, 0.0013546800000000, 0.0001785600000000 ] - [ 0.0000491100000000, -0.0000003100000000, 0.0000156600000000 ] - [ -0.0117737500000000, 0.0003472200000000, 0.0044846600000000 ] - [ 0.0000311900000000, -0.0000695600000000, 0.0000688000000000 ] - [ -0.0000068800000000, 0.0000772500000000, 0.0000726100000000 ] - [ -0.0002275300000000, -0.0000041100000000, 0.0001709200000000 ] - [ 0.0001246600000000, -0.0000355500000000, 0.0000718800000000 ] - [ -0.0001208700000000, 0.0000004100000000, 0.0000833800000000 ] - [ 0.0001245800000000, 0.0000365100000000, 0.0000710200000000 ] - [ 0.0001708000000000, -0.0001996000000000, -0.0000036700000000 ] - [ -0.0001627600000000, 0.0010530400000000, 0.0000068600000000 ] - [ 0.0000591000000000, 0.0000007600000000, 0.0000334200000000 ] - [ 0.0033688900000000, 0.0096666200000000, 0.0026040800000000 ] - [ 0.0152726500000000, 0.0265057400000000, -0.0150831600000000 ] - [ 0.0000424000000000, 0.0022763600000000, 0.0004884600000000 ] - [ -0.0120540800000000, 0.0254384500000000, 0.0176424600000000 ] - [ -0.0002721400000000, 0.0001268200000000, 0.0001166800000000 ] - [ 0.0004506900000000, -0.0026478600000000, 0.0003159900000000 ] - [ 0.0152175200000000, 0.0278118700000000, -0.0201551900000000 ] - [ -0.0011370000000000, -0.0068363900000000, -0.0013551700000000 ] - [ -0.0000350200000000, -0.0000045300000000, 0.0004278000000000 ] - [ 0.0003689600000000, 0.0025254400000000, 0.0002892900000000 ] - [ -0.0023544000000000, 0.0000571900000000, 0.0020135500000000 ] - [ 0.0033391500000000, 0.0095661200000000, 0.0019671500000000 ] - [ 0.0000395300000000, -0.0000098500000000, -0.0001312800000000 ] - [ 0.0000128700000000, -0.0000851600000000, -0.0000864600000000 ] - [ 0.0000531100000000, 0.0001318400000000, -0.0009663600000000 ] - [ 0.0000444700000000, 0.0000721000000000, -0.0000879000000000 ] - [ 0.0000617200000000, 0.0000000700000000, -0.0000539500000000 ] - [ -0.0000222500000000, 0.0000798400000000, -0.0001269900000000 ] - [ -0.0000499600000000, 0.0000001500000000, 0.0000073800000000 ] - [ -0.0001474100000000, 0.0001310700000000, -0.0000903000000000 ] - [ -0.0000635900000000, -0.0000000800000000, -0.0000356500000000 ] - [ -0.0000321700000000, 0.0000178600000000, -0.0000813000000000 ] - [ -0.0000844600000000, 0.0000001900000000, -0.0001846800000000 ] - [ 0.0000258100000000, -0.0000104700000000, 0.0000554000000000 ] - [ 0.0001501600000000, 0.0000010700000000, -0.0001249600000000 ] - [ -0.0000351700000000, -0.0000181000000000, -0.0000873100000000 ] - [ 0.0000179200000000, -0.0000000500000000, -0.0000117000000000 ] - [ 0.0000256600000000, 0.0000105300000000, 0.0000541100000000 ] - [ 0.0000305800000000, -0.0000008500000000, -0.0000046600000000 ] - [ -0.0000041200000000, 0.0000464600000000, -0.0000203200000000 ] - [ 0.0000264500000000, 0.0000001200000000, -0.0000424200000000 ] - [ 0.0001187000000000, 0.0000678700000000, -0.0000685000000000 ] - [ -0.0001585800000000, 0.0001603100000000, -0.0001397500000000 ] - [ 0.0000044900000000, -0.0000361700000000, -0.0000048000000000 ] - [ 0.0000931200000000, -0.0000142900000000, -0.0002152200000000 ] - [ 0.0000955600000000, -0.0000604500000000, -0.0000677200000000 ] - [ -0.0014226700000000, 0.0000283100000000, 0.0017556900000000 ] - [ -0.0000803400000000, -0.0000004200000000, 0.0002017700000000 ] - [ 0.0000765300000000, -0.0001372400000000, 0.0001330300000000 ] - [ 0.0000688200000000, 0.0001406500000000, 0.0001266300000000 ] - [ 0.0000900800000000, -0.0023492500000000, 0.0005582900000000 ] - [ -0.0000399700000000, 0.0000467800000000, 0.0002429800000000 ] - [ -0.0001586700000000, -0.0066874800000000, 0.0001791200000000 ] - [ -0.0001974800000000, 0.0001536100000000, 0.0003816500000000 ] - [ -0.0102460300000000, 0.0258570900000000, 0.0198647800000000 ] - [ -0.0000987700000000, 0.0001817700000000, -0.0001403200000000 ] - [ 0.0001342100000000, -0.0000046600000000, 0.0003154500000000 ] - [ 0.0004674000000000, 0.0025183500000000, 0.0003934400000000 ] - [ -0.0003465400000000, -0.0000018700000000, 0.0002893400000000 ] - [ -0.0000889300000000, -0.0001787600000000, -0.0001449000000000 ] - [ 0.0001369900000000, 0.0000607600000000, -0.0000623600000000 ] - [ 0.0005679200000000, -0.0026315600000000, 0.0003935900000000 ] - [ 0.0002345900000000, -0.0000011500000000, -0.0004269800000000 ] - [ -0.0000221300000000, -0.0000800700000000, -0.0001259000000000 ] - [ 0.0012402400000000, 0.0000644600000000, -0.0031808500000000 ] - [ -0.0001444000000000, -0.0001278700000000, -0.0000872600000000 ] - [ 0.0000686700000000, -0.0000000100000000, -0.0000442000000000 ] - [ 0.0000132100000000, 0.0000845500000000, -0.0000880500000000 ] - [ -0.0000259000000000, -0.0000004400000000, -0.0000097800000000 ] - [ 0.0000402700000000, -0.0000629700000000, -0.0000982900000000 ] - [ -0.0000741500000000, -0.0000001400000000, -0.0000368300000000 ] - [ -0.0000351800000000, 0.0000181500000000, -0.0000864500000000 ] - [ -0.0000418000000000, 0.0000008100000000, -0.0002302200000000 ] - [ 0.0000294600000000, -0.0000121100000000, 0.0000469400000000 ] - [ 0.0001334600000000, 0.0000002700000000, -0.0001500600000000 ] - [ -0.0000320700000000, -0.0000177800000000, -0.0000820600000000 ] - [ 0.0000242400000000, 0.0000004900000000, -0.0000174600000000 ] - [ 0.0000293100000000, 0.0000121900000000, 0.0000456400000000 ] - [ 0.0000414500000000, -0.0000001600000000, -0.0000363700000000 ] - [ -0.0000062300000000, 0.0001911000000000, -0.0001131900000000 ] - [ 0.0000326100000000, 0.0000000900000000, -0.0000506300000000 ] - [ 0.0000968900000000, 0.0000603900000000, -0.0000666100000000 ] - [ 0.0012350000000000, 0.0000613600000000, -0.0023306200000000 ] - [ -0.0000010200000000, -0.0001878800000000, -0.0001122600000000 ] - [ 0.0004207800000000, -0.0000013700000000, -0.0002976000000000 ] - [ 0.0001185600000000, -0.0000679700000000, -0.0000698300000000 ] - [ -0.0001259500000000, 0.0000059200000000, 0.0004431000000000 ] - [ 0.0000093500000000, 0.0000059600000000, 0.0000924500000000 ] - [ 0.0001348900000000, 0.0023245400000000, -0.0000525200000000 ] - [ 0.0001171800000000, -0.0023999600000000, -0.0002371000000000 ]- atom: 23 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001692200000000, -0.0003961800000000, 0.0082519900000000 ] - [ -0.0112672000000000, -0.0023908100000000, -0.0028880500000000 ] - [ -0.0009727700000000, 0.0000082000000000, -0.0004788400000000 ] - [ -0.0071124800000000, -0.0022676000000000, -0.0108039900000000 ] - [ -0.0000287100000000, 0.0000002100000000, -0.0000600900000000 ] - [ 0.0000605100000000, -0.0000010900000000, -0.0001030000000000 ] - [ 0.0000051000000000, 0.0000001200000000, -0.0000366700000000 ] - [ -0.0000050600000000, 0.0000001500000000, -0.0000904300000000 ] - [ -0.0001244300000000, -0.0000061000000000, -0.0000507100000000 ] - [ 0.0000653300000000, -0.0000025900000000, -0.0000923800000000 ] - [ 0.0001683800000000, -0.0000274900000000, 0.0002348300000000 ] - [ -0.0143372300000000, -0.0027744900000000, -0.0035470000000000 ] - [ -0.0001901300000000, -0.0000050700000000, -0.0001980600000000 ] - [ -0.0007471600000000, -0.0000159100000000, -0.0008288100000000 ] - [ -0.0000225800000000, -0.0000000200000000, -0.0000822800000000 ] - [ -0.0000575100000000, 0.0000002300000000, -0.0001394800000000 ] - [ 0.0000165300000000, -0.0000000400000000, -0.0000369400000000 ] - [ 0.0000015200000000, 0.0000001000000000, -0.0000957300000000 ] - [ -0.0004329500000000, 0.0000096400000000, -0.0005876700000000 ] - [ 0.0000984000000000, -0.0000002100000000, -0.0001420600000000 ] - [ 0.0104694800000000, -0.0003820900000000, -0.0034084500000000 ] - [ -0.0102561300000000, -0.0035244300000000, -0.0133674100000000 ] - [ 0.0261639500000000, 0.2016104600000000, 0.0181050800000000 ] - [ -0.0005518100000000, -0.0005114300000000, 0.0121526100000000 ] - [ -0.0002185900000000, -0.0761986000000000, -0.0014821000000000 ] - [ -0.0000588600000000, 0.0015409300000000, -0.0001948300000000 ] - [ 0.0000030700000000, 0.0000002000000000, -0.0000549000000000 ] - [ -0.0000417100000000, 0.0000002400000000, 0.0000909700000000 ] - [ 0.0005379200000000, -0.0004553700000000, -0.0000055300000000 ] - [ 0.0000596600000000, 0.0000000700000000, -0.0001444700000000 ] - [ 0.0050894200000000, -0.0009338200000000, 0.0033976500000000 ] - [ 0.0000520700000000, -0.0000057700000000, -0.0000952800000000 ] - [ 0.0000134200000000, 0.0000126400000000, -0.0000921500000000 ] - [ -0.0000592600000000, -0.0000001300000000, 0.0001053400000000 ] - [ 0.0001324400000000, 0.0000105600000000, -0.0000894500000000 ] - [ 0.0000812900000000, 0.0000073800000000, -0.0000449000000000 ] - [ 0.0001323800000000, -0.0000108000000000, -0.0000908600000000 ] - [ 0.0002087900000000, 0.0010806300000000, -0.0000934600000000 ] - [ -0.0001124600000000, -0.0002275800000000, -0.0000969900000000 ] - [ 0.0000854000000000, -0.0000005400000000, -0.0000015700000000 ] - [ 0.0051933400000000, -0.0000098300000000, 0.0038218400000000 ] - [ -0.0009118800000000, 0.0000057200000000, -0.0000854200000000 ] - [ 0.0006231800000000, 0.0004690800000000, 0.0008866300000000 ] - [ 0.0002064900000000, 0.0000109900000000, -0.0000438100000000 ] - [ 0.0005412400000000, -0.0004730700000000, 0.0008676100000000 ] - [ 0.0005412300000000, 0.0004535800000000, -0.0000026700000000 ] - [ 0.0000050700000000, 0.0000001900000000, -0.0000664200000000 ] - [ -0.0000198300000000, -0.0000002600000000, 0.0000175900000000 ] - [ -0.0000611000000000, -0.0015341400000000, -0.0001995000000000 ] - [ 0.0000546200000000, 0.0000001000000000, -0.0001415800000000 ] - [ 0.0114500900000000, -0.0003551800000000, -0.0044924600000000 ] - [ 0.0000134500000000, -0.0000135400000000, -0.0000918300000000 ] - [ 0.0000519000000000, 0.0000056100000000, -0.0000957800000000 ] - [ 0.0001030100000000, 0.0000036700000000, -0.0001088600000000 ] - [ 0.0001470900000000, 0.0000075700000000, -0.0001081200000000 ] - [ 0.0000387800000000, 0.0000002700000000, -0.0000969700000000 ] - [ 0.0001470900000000, -0.0000085600000000, -0.0001089300000000 ] - [ -0.0001201500000000, 0.0002229500000000, -0.0000746400000000 ] - [ 0.0002103200000000, -0.0010752900000000, -0.0000896400000000 ] - [ 0.0000361200000000, -0.0000006100000000, -0.0000578600000000 ] - [ -0.0036107900000000, -0.0094449000000000, -0.0027332200000000 ] - [ -0.0145426000000000, -0.0252245300000000, 0.0142693600000000 ] - [ -0.0000924900000000, -0.0025492900000000, -0.0004913100000000 ] - [ 0.0112555300000000, -0.0242232100000000, -0.0164914000000000 ] - [ 0.0001218600000000, -0.0001177900000000, -0.0001941900000000 ] - [ -0.0005862000000000, 0.0026248400000000, -0.0002240200000000 ] - [ -0.0160442800000000, -0.0291542700000000, 0.0212251300000000 ] - [ 0.0010792900000000, 0.0068577900000000, 0.0013712800000000 ] - [ -0.0002692100000000, 0.0000050700000000, -0.0002705900000000 ] - [ -0.0004848500000000, -0.0025006000000000, -0.0002019400000000 ] - [ 0.0022622400000000, -0.0000595100000000, -0.0019932300000000 ] - [ -0.0032310700000000, -0.0095086700000000, -0.0018326600000000 ] - [ -0.0000978000000000, 0.0000095500000000, 0.0000700800000000 ] - [ -0.0000310500000000, -0.0000432100000000, -0.0000477500000000 ] - [ -0.0000951700000000, -0.0001219200000000, 0.0008661700000000 ] - [ -0.0000270100000000, 0.0001456200000000, 0.0001229100000000 ] - [ 0.0000639000000000, -0.0000000300000000, 0.0000784900000000 ] - [ 0.0000040100000000, 0.0000486300000000, -0.0000094100000000 ] - [ 0.0000119400000000, -0.0000000600000000, 0.0000444400000000 ] - [ 0.0001638200000000, -0.0003481900000000, 0.0001218700000000 ] - [ -0.0001020000000000, 0.0000000900000000, 0.0000737900000000 ] - [ -0.0000212400000000, 0.0000043100000000, 0.0000138800000000 ] - [ -0.0000716700000000, -0.0000000900000000, 0.0000278800000000 ] - [ 0.0000469500000000, 0.0000069300000000, 0.0001505800000000 ] - [ 0.0001087000000000, -0.0000011700000000, 0.0000619900000000 ] - [ -0.0000185100000000, -0.0000041600000000, 0.0000178000000000 ] - [ 0.0000022700000000, 0.0000001500000000, 0.0000919200000000 ] - [ 0.0000469200000000, -0.0000068800000000, 0.0001495900000000 ] - [ 0.0000570300000000, 0.0000009100000000, 0.0000257900000000 ] - [ 0.0000408300000000, -0.0000167200000000, 0.0000219000000000 ] - [ 0.0000272800000000, -0.0000000300000000, 0.0000812100000000 ] - [ 0.0001022600000000, 0.0000407800000000, 0.0000261100000000 ] - [ 0.0001197700000000, -0.0001690200000000, 0.0003927200000000 ] - [ 0.0000313900000000, 0.0000061800000000, 0.0000043100000000 ] - [ 0.0002305500000000, 0.0000143300000000, 0.0001324300000000 ] - [ 0.0001252300000000, -0.0000480500000000, 0.0000229300000000 ] - [ 0.0013989600000000, -0.0000264100000000, -0.0015298200000000 ] - [ 0.0001210800000000, 0.0000002700000000, -0.0002206500000000 ] - [ 0.0000256200000000, 0.0001871800000000, -0.0000757600000000 ] - [ 0.0000328900000000, -0.0001905500000000, -0.0000703500000000 ] - [ -0.0001435400000000, 0.0026219800000000, -0.0005779800000000 ] - [ -0.0001606900000000, -0.0000544300000000, 0.0000440900000000 ] - [ 0.0000616800000000, 0.0064106400000000, -0.0002351300000000 ] - [ 0.0001435800000000, -0.0001608400000000, -0.0004032900000000 ] - [ 0.0108850100000000, -0.0270558900000000, -0.0212174800000000 ] - [ -0.0000261800000000, -0.0002058100000000, 0.0002302000000000 ] - [ 0.0000120900000000, 0.0000119100000000, -0.0005528100000000 ] - [ -0.0005852500000000, -0.0025205100000000, -0.0004249600000000 ] - [ 0.0000420300000000, 0.0000021200000000, -0.0001329200000000 ] - [ -0.0000362100000000, 0.0002024100000000, 0.0002329800000000 ] - [ -0.0002283600000000, -0.0000693400000000, 0.0000824900000000 ] - [ -0.0006801600000000, 0.0026324900000000, -0.0004107000000000 ] - [ -0.0002924100000000, 0.0000009200000000, 0.0003651200000000 ] - [ 0.0000039900000000, -0.0000484100000000, -0.0000083500000000 ] - [ -0.0012810900000000, -0.0000620100000000, 0.0030780500000000 ] - [ 0.0001605800000000, 0.0003452700000000, 0.0001219200000000 ] - [ 0.0000568400000000, -0.0000000100000000, 0.0000692500000000 ] - [ -0.0000317200000000, 0.0000428500000000, -0.0000484500000000 ] - [ -0.0000118400000000, 0.0000004600000000, 0.0000615900000000 ] - [ -0.0000238100000000, -0.0001541500000000, 0.0001296800000000 ] - [ -0.0000914900000000, 0.0000000500000000, 0.0000749500000000 ] - [ -0.0000184800000000, 0.0000041500000000, 0.0000188200000000 ] - [ -0.0001140500000000, -0.0000006600000000, 0.0000737100000000 ] - [ 0.0000434300000000, 0.0000084700000000, 0.0001591400000000 ] - [ 0.0001254800000000, -0.0000003600000000, 0.0000871800000000 ] - [ -0.0000214600000000, -0.0000043600000000, 0.0000127000000000 ] - [ -0.0000041000000000, 0.0000001200000000, 0.0000973600000000 ] - [ 0.0000435500000000, -0.0000084100000000, 0.0001581400000000 ] - [ 0.0000463200000000, 0.0000002300000000, 0.0000574000000000 ] - [ 0.0000426700000000, -0.0001609800000000, 0.0001149200000000 ] - [ 0.0000211600000000, -0.0000000100000000, 0.0000894000000000 ] - [ 0.0001239500000000, 0.0000481600000000, 0.0000241300000000 ] - [ -0.0012733600000000, -0.0000637700000000, 0.0025827300000000 ] - [ 0.0000379700000000, 0.0001576700000000, 0.0001119200000000 ] - [ -0.0000971600000000, 0.0000017200000000, 0.0002150400000000 ] - [ 0.0001023900000000, -0.0000407200000000, 0.0000250900000000 ] - [ 0.0001018200000000, 0.0000024600000000, -0.0002180700000000 ] - [ 0.0000313700000000, -0.0000057500000000, -0.0001118100000000 ] - [ -0.0000398100000000, -0.0022724700000000, 0.0001148400000000 ] - [ -0.0000080300000000, 0.0023487000000000, 0.0002877600000000 ]- atom: 23 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0036284200000000, -0.0035740800000000, 0.0067519800000000 ] - [ 0.0008935300000000, 0.0044255300000000, -0.0136370000000000 ] - [ -0.0012457300000000, 0.0006935800000000, 0.0022521200000000 ] - [ 0.0054801500000000, 0.0124305100000000, 0.0134383100000000 ] - [ -0.0000169000000000, 0.0000051800000000, 0.0014112900000000 ] - [ 0.0003336100000000, 0.0000282500000000, 0.0016615100000000 ] - [ 0.0000007100000000, 0.0000058600000000, 0.0014550000000000 ] - [ 0.0000595900000000, 0.0000010700000000, 0.0015511200000000 ] - [ 0.0010744800000000, 0.0000648700000000, 0.0006941900000000 ] - [ 0.0004277900000000, 0.0000322800000000, 0.0016780000000000 ] - [ 0.0016712400000000, 0.0002711500000000, -0.0013144200000000 ] - [ 0.0010334300000000, 0.0052167600000000, -0.0146228400000000 ] - [ 0.0008986100000000, 0.0000459300000000, 0.0007868400000000 ] - [ -0.0005479200000000, 0.0002349000000000, -0.0009819000000000 ] - [ 0.0000253300000000, 0.0000041200000000, 0.0013095500000000 ] - [ -0.0001205600000000, 0.0000441200000000, 0.0015368600000000 ] - [ 0.0000682300000000, 0.0000043900000000, 0.0013357000000000 ] - [ 0.0000539500000000, 0.0000012100000000, 0.0015493100000000 ] - [ -0.0013886600000000, 0.0007648600000000, 0.0023091800000000 ] - [ -0.0000429400000000, 0.0000499600000000, 0.0014897900000000 ] - [ -0.0103806300000000, 0.0003045800000000, -0.0007188400000000 ] - [ 0.0080285100000000, 0.0172130500000000, 0.0187727000000000 ] - [ -0.0378049400000000, -0.0217975400000000, -0.1623106700000000 ] - [ -0.0050638000000000, -0.0050655900000000, 0.0102417400000000 ] - [ 0.0069850000000000, -0.0013286300000000, -0.0339167300000000 ] - [ -0.0010613900000000, 0.0001083400000000, 0.0013494200000000 ] - [ -0.0000667700000000, -0.0000018200000000, 0.0023299400000000 ] - [ -0.0001387600000000, -0.0000261900000000, 0.0026622600000000 ] - [ 0.0020761400000000, 0.0002042300000000, 0.0037729000000000 ] - [ -0.0000140100000000, -0.0000020700000000, 0.0021683500000000 ] - [ 0.0108285200000000, -0.0109142400000000, 0.0021559400000000 ] - [ 0.0001623500000000, -0.0001499800000000, 0.0021397100000000 ] - [ -0.0000091200000000, 0.0001411500000000, 0.0021484700000000 ] - [ -0.0006236100000000, -0.0001433200000000, 0.0026937100000000 ] - [ 0.0002908900000000, -0.0001277900000000, 0.0021422700000000 ] - [ 0.0004522200000000, -0.0000610200000000, 0.0020267300000000 ] - [ 0.0003026700000000, 0.0001267000000000, 0.0021517700000000 ] - [ -0.0010025800000000, -0.0002111900000000, 0.0010988100000000 ] - [ 0.0022390000000000, -0.0000574800000000, 0.0039437600000000 ] - [ 0.0000167000000000, -0.0000089800000000, 0.0018953900000000 ] - [ 0.0111609400000000, -0.0098235900000000, 0.0018977100000000 ] - [ -0.0006557500000000, 0.0003825500000000, -0.0016961700000000 ] - [ -0.0005502900000000, -0.0011275500000000, -0.0088584100000000 ] - [ 0.0019454200000000, 0.0004479700000000, -0.0014073600000000 ] - [ 0.0013030600000000, 0.0010945100000000, -0.0086462100000000 ] - [ 0.0008356300000000, -0.0002437200000000, 0.0024649400000000 ] - [ -0.0000693900000000, -0.0000018300000000, 0.0022554400000000 ] - [ -0.0001021800000000, -0.0000068300000000, 0.0019962300000000 ] - [ -0.0009002900000000, -0.0001111000000000, 0.0013953900000000 ] - [ -0.0000218500000000, -0.0000021000000000, 0.0022445600000000 ] - [ -0.0104099900000000, 0.0002120800000000, -0.0008738500000000 ] - [ -0.0000163300000000, -0.0001415600000000, 0.0021394000000000 ] - [ 0.0001728500000000, 0.0001491000000000, 0.0021488300000000 ] - [ 0.0002853800000000, -0.0000547400000000, 0.0020312400000000 ] - [ 0.0000794100000000, -0.0001109400000000, 0.0021238800000000 ] - [ -0.0007493600000000, -0.0001654600000000, 0.0026563500000000 ] - [ 0.0000876700000000, 0.0001105000000000, 0.0021335600000000 ] - [ 0.0008688300000000, 0.0000383400000000, 0.0027505700000000 ] - [ -0.0008005300000000, 0.0002114100000000, 0.0011615900000000 ] - [ -0.0000640500000000, -0.0000303300000000, 0.0027227500000000 ] - [ 0.0239112200000000, 0.0022639100000000, 0.0240766600000000 ] - [ -0.0065606700000000, -0.0120578800000000, 0.0230021900000000 ] - [ 0.0020797900000000, 0.0001900700000000, 0.0050467400000000 ] - [ -0.0064655600000000, 0.0160683300000000, 0.0231735000000000 ] - [ -0.0040737500000000, 0.0010421500000000, 0.0038470900000000 ] - [ -0.0006253500000000, 0.0001813700000000, -0.0019610400000000 ] - [ -0.0086183300000000, -0.0164303200000000, 0.0302544500000000 ] - [ -0.0011243400000000, 0.0008461400000000, 0.0071324900000000 ] - [ -0.0003124900000000, -0.0002671600000000, -0.0025164200000000 ] - [ -0.0000615300000000, -0.0001895100000000, -0.0056020200000000 ] - [ 0.0021106900000000, 0.0000476000000000, -0.0009047200000000 ] - [ 0.0281754300000000, 0.0036443500000000, 0.0311814200000000 ] - [ 0.0000890900000000, 0.0002075700000000, -0.0019529000000000 ] - [ -0.0002679400000000, 0.0001042200000000, -0.0014897600000000 ] - [ -0.0013994300000000, 0.0011160800000000, -0.0022437500000000 ] - [ -0.0005622900000000, -0.0000751100000000, -0.0012228300000000 ] - [ 0.0001646300000000, -0.0000007600000000, -0.0018411900000000 ] - [ -0.0000915800000000, -0.0000504000000000, -0.0013020300000000 ] - [ 0.0003396500000000, -0.0000046500000000, -0.0014107600000000 ] - [ 0.0004480100000000, -0.0000215500000000, -0.0014648400000000 ] - [ 0.0001457200000000, 0.0000015700000000, -0.0013720200000000 ] - [ -0.0002092400000000, 0.0001540800000000, -0.0013353100000000 ] - [ 0.0000739900000000, 0.0000049700000000, -0.0020277800000000 ] - [ -0.0001340000000000, -0.0001468900000000, -0.0012374900000000 ] - [ 0.0001237100000000, 0.0000085200000000, -0.0018681000000000 ] - [ -0.0001909000000000, -0.0001564200000000, -0.0013739600000000 ] - [ 0.0002375400000000, 0.0000019100000000, -0.0013566200000000 ] - [ -0.0001331300000000, 0.0001467200000000, -0.0012403800000000 ] - [ 0.0001417600000000, -0.0000087000000000, -0.0012923400000000 ] - [ -0.0007152900000000, 0.0001879700000000, -0.0014274500000000 ] - [ 0.0000819700000000, -0.0000025000000000, -0.0018990500000000 ] - [ 0.0000358200000000, -0.0000507400000000, -0.0012321800000000 ] - [ -0.0015290300000000, 0.0010081100000000, -0.0017369600000000 ] - [ -0.0006457600000000, -0.0001581700000000, -0.0012849000000000 ] - [ 0.0002985900000000, 0.0002354700000000, -0.0020200700000000 ] - [ -0.0001539400000000, 0.0001202700000000, -0.0014708000000000 ] - [ 0.0019343400000000, 0.0000778800000000, -0.0004995000000000 ] - [ 0.0001757000000000, 0.0000053500000000, -0.0012185400000000 ] - [ -0.0000817900000000, 0.0000051600000000, 0.0004391700000000 ] - [ -0.0002307700000000, 0.0000185200000000, 0.0005453300000000 ] - [ 0.0032533000000000, -0.0005563000000000, 0.0037622300000000 ] - [ -0.0023877000000000, -0.0009450400000000, 0.0048291900000000 ] - [ -0.0016629900000000, -0.0000227200000000, 0.0070456300000000 ] - [ -0.0037497400000000, 0.0008368000000000, 0.0039690200000000 ] - [ -0.0071383300000000, 0.0172960000000000, 0.0273593600000000 ] - [ -0.0001925400000000, -0.0001312900000000, 0.0004628000000000 ] - [ -0.0022592900000000, -0.0009077600000000, 0.0045199800000000 ] - [ 0.0020675200000000, 0.0006475800000000, 0.0047637200000000 ] - [ 0.0000725900000000, 0.0000113400000000, -0.0012557400000000 ] - [ -0.0000898900000000, 0.0000951800000000, 0.0003976200000000 ] - [ -0.0019885600000000, -0.0009821400000000, -0.0012026800000000 ] - [ 0.0030907500000000, -0.0008422200000000, 0.0037417800000000 ] - [ 0.0003029500000000, -0.0000121300000000, -0.0010125200000000 ] - [ -0.0001032800000000, 0.0000498700000000, -0.0012820300000000 ] - [ 0.0015466100000000, -0.0000404800000000, -0.0010765200000000 ] - [ 0.0002513400000000, 0.0000187800000000, -0.0012413900000000 ] - [ 0.0001221700000000, -0.0000021800000000, -0.0019045500000000 ] - [ -0.0002772100000000, -0.0001121800000000, -0.0015207000000000 ] - [ 0.0001151300000000, -0.0000082700000000, -0.0012782400000000 ] - [ -0.0006469200000000, 0.0001130500000000, -0.0013692500000000 ] - [ 0.0001830800000000, 0.0000005100000000, -0.0013351100000000 ] - [ -0.0001897800000000, 0.0001563300000000, -0.0013751600000000 ] - [ -0.0000677200000000, 0.0000086500000000, -0.0019005900000000 ] - [ -0.0001394500000000, -0.0001418200000000, -0.0011952600000000 ] - [ 0.0002997500000000, 0.0000053700000000, -0.0019782600000000 ] - [ -0.0002093200000000, -0.0001538100000000, -0.0013331900000000 ] - [ 0.0002798000000000, 0.0000008200000000, -0.0013095400000000 ] - [ -0.0001394100000000, 0.0001420300000000, -0.0011990200000000 ] - [ 0.0004390700000000, -0.0000049800000000, -0.0014332700000000 ] - [ 0.0005582300000000, 0.0001429500000000, -0.0014348800000000 ] - [ 0.0001326500000000, -0.0000009900000000, -0.0018238500000000 ] - [ -0.0001650500000000, -0.0001292900000000, -0.0015039700000000 ] - [ 0.0016669500000000, -0.0000608400000000, -0.0009153900000000 ] - [ 0.0003421100000000, -0.0001504500000000, -0.0011964800000000 ] - [ 0.0004670900000000, -0.0000080300000000, -0.0009541200000000 ] - [ 0.0000233300000000, 0.0000501100000000, -0.0012112900000000 ] - [ -0.0021042300000000, -0.0010216400000000, -0.0016949900000000 ] - [ -0.0000635800000000, -0.0003005600000000, -0.0027997600000000 ] - [ -0.0003728600000000, -0.0006603900000000, -0.0058708500000000 ] - [ -0.0002922100000000, -0.0002267800000000, -0.0021786900000000 ]- atom: 23 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0036463700000000, 0.0034936800000000, -0.0068733000000000 ] - [ -0.0010991900000000, -0.0044520700000000, 0.0135845000000000 ] - [ 0.0011411500000000, -0.0007071900000000, -0.0022766000000000 ] - [ -0.0057692500000000, -0.0126262400000000, -0.0135156800000000 ] - [ 0.0000020100000000, -0.0000049900000000, -0.0014415400000000 ] - [ -0.0002652300000000, -0.0000281200000000, -0.0016669200000000 ] - [ 0.0000427800000000, -0.0000062100000000, -0.0014147800000000 ] - [ -0.0000557000000000, -0.0000010300000000, -0.0016102100000000 ] - [ -0.0011235000000000, -0.0000664200000000, -0.0007740500000000 ] - [ -0.0001815500000000, -0.0000322600000000, -0.0017208700000000 ] - [ -0.0015976200000000, -0.0002802600000000, 0.0011456500000000 ] - [ -0.0011361700000000, -0.0051816800000000, 0.0146210400000000 ] - [ -0.0010191600000000, -0.0000457800000000, -0.0008018400000000 ] - [ 0.0003469900000000, -0.0002335300000000, 0.0010788000000000 ] - [ -0.0000389700000000, -0.0000037500000000, -0.0013380600000000 ] - [ 0.0001926000000000, -0.0000445500000000, -0.0015424100000000 ] - [ -0.0000245100000000, -0.0000047600000000, -0.0012963600000000 ] - [ -0.0000509500000000, -0.0000009600000000, -0.0016083900000000 ] - [ 0.0013204000000000, -0.0007520800000000, -0.0023780400000000 ] - [ 0.0002853200000000, -0.0000493200000000, -0.0015336900000000 ] - [ 0.0105030800000000, -0.0002849100000000, 0.0006507800000000 ] - [ -0.0077503400000000, -0.0169638100000000, -0.0185909300000000 ] - [ 0.0381370400000000, 0.0216975500000000, 0.1624278900000000 ] - [ 0.0048208000000000, 0.0051696100000000, -0.0101571600000000 ] - [ -0.0069449800000000, 0.0016510800000000, 0.0338938700000000 ] - [ 0.0009957000000000, 0.0000696500000000, -0.0013623100000000 ] - [ 0.0000679600000000, 0.0000019200000000, -0.0022859500000000 ] - [ 0.0000477500000000, 0.0000267300000000, -0.0026132800000000 ] - [ -0.0021746300000000, -0.0003832000000000, -0.0038047200000000 ] - [ 0.0001165500000000, 0.0000021000000000, -0.0022938600000000 ] - [ -0.0112391100000000, 0.0109354900000000, -0.0021425400000000 ] - [ -0.0001198500000000, 0.0000672700000000, -0.0021625000000000 ] - [ 0.0000546300000000, -0.0000584700000000, -0.0021708500000000 ] - [ 0.0005039300000000, 0.0001459500000000, -0.0026334700000000 ] - [ -0.0000179800000000, 0.0001002100000000, -0.0021765800000000 ] - [ -0.0005307400000000, 0.0000610300000000, -0.0020420800000000 ] - [ -0.0000299100000000, -0.0000991100000000, -0.0021878600000000 ] - [ 0.0010492200000000, 0.0002404500000000, -0.0011906400000000 ] - [ -0.0021575100000000, 0.0000263500000000, -0.0040143700000000 ] - [ 0.0000800500000000, 0.0000090200000000, -0.0019181800000000 ] - [ -0.0109743000000000, 0.0098076500000000, -0.0019404300000000 ] - [ 0.0008247100000000, -0.0003836500000000, 0.0016626000000000 ] - [ 0.0005898700000000, 0.0008303500000000, 0.0088310500000000 ] - [ -0.0022617600000000, -0.0004441900000000, 0.0015498000000000 ] - [ -0.0012634900000000, -0.0007971100000000, 0.0086231000000000 ] - [ -0.0009110100000000, 0.0004229300000000, -0.0024824600000000 ] - [ 0.0000710400000000, 0.0000019300000000, -0.0022108600000000 ] - [ 0.0000102600000000, 0.0000070100000000, -0.0019420200000000 ] - [ 0.0008315900000000, -0.0000667800000000, -0.0014092500000000 ] - [ 0.0001242600000000, 0.0000020500000000, -0.0023694900000000 ] - [ 0.0100659200000000, -0.0002293900000000, 0.0009151500000000 ] - [ 0.0000619800000000, 0.0000589000000000, -0.0021613000000000 ] - [ -0.0001288900000000, -0.0000663200000000, -0.0021713900000000 ] - [ -0.0004123300000000, 0.0000548400000000, -0.0019668300000000 ] - [ 0.0001916600000000, 0.0000833800000000, -0.0021581500000000 ] - [ 0.0006619100000000, 0.0001629800000000, -0.0026665300000000 ] - [ 0.0001832800000000, -0.0000829500000000, -0.0021695100000000 ] - [ -0.0008115200000000, -0.0000078900000000, -0.0028346200000000 ] - [ 0.0008497100000000, -0.0002405700000000, -0.0012543000000000 ] - [ 0.0001601400000000, 0.0000300000000000, -0.0027387600000000 ] - [ -0.0225923400000000, -0.0018815200000000, -0.0234238300000000 ] - [ 0.0066516800000000, 0.0124971500000000, -0.0228460900000000 ] - [ -0.0021341200000000, -0.0004700400000000, -0.0050586200000000 ] - [ 0.0060601400000000, -0.0154340100000000, -0.0229118400000000 ] - [ 0.0039154100000000, -0.0010403800000000, -0.0039275600000000 ] - [ 0.0004939600000000, -0.0001973000000000, 0.0020408100000000 ] - [ 0.0083741000000000, 0.0158061400000000, -0.0302418700000000 ] - [ 0.0010064500000000, -0.0008311600000000, -0.0071730800000000 ] - [ 0.0000147100000000, 0.0002736000000000, 0.0026823800000000 ] - [ -0.0000642200000000, 0.0002050200000000, 0.0057526200000000 ] - [ -0.0022057100000000, -0.0000507600000000, 0.0009183700000000 ] - [ -0.0299500400000000, -0.0037716300000000, -0.0320945500000000 ] - [ -0.0001509000000000, -0.0002125700000000, 0.0018934700000000 ] - [ 0.0002508900000000, -0.0002278800000000, 0.0013570200000000 ] - [ 0.0013617600000000, -0.0011177900000000, 0.0021253000000000 ] - [ 0.0005820000000000, 0.0002999200000000, 0.0012569900000000 ] - [ -0.0000363400000000, 0.0000008100000000, 0.0018689600000000 ] - [ 0.0000723500000000, 0.0001727800000000, 0.0011656100000000 ] - [ -0.0003752700000000, 0.0000048700000000, 0.0014656400000000 ] - [ -0.0004386200000000, -0.0002022500000000, 0.0014991900000000 ] - [ -0.0003140500000000, -0.0000016800000000, 0.0014081100000000 ] - [ 0.0001565600000000, -0.0001274200000000, 0.0012681200000000 ] - [ -0.0002345800000000, -0.0000050600000000, 0.0018671200000000 ] - [ 0.0002055900000000, 0.0001476400000000, 0.0014430800000000 ] - [ 0.0001382400000000, -0.0000085000000000, 0.0018096800000000 ] - [ 0.0001381800000000, 0.0001295100000000, 0.0013044800000000 ] - [ -0.0002149100000000, -0.0000016700000000, 0.0014384300000000 ] - [ 0.0002045300000000, -0.0001475600000000, 0.0014436900000000 ] - [ -0.0000595000000000, 0.0000086500000000, 0.0013127000000000 ] - [ 0.0007504000000000, -0.0001509900000000, 0.0014314200000000 ] - [ -0.0000320700000000, 0.0000024400000000, 0.0019359000000000 ] - [ 0.0001859800000000, 0.0001654700000000, 0.0011904400000000 ] - [ 0.0014866700000000, -0.0010062900000000, 0.0020005600000000 ] - [ 0.0006807600000000, 0.0001215000000000, 0.0012878300000000 ] - [ 0.0000256400000000, -0.0002302700000000, 0.0019374800000000 ] - [ 0.0003736000000000, -0.0002334800000000, 0.0014251000000000 ] - [ -0.0019546600000000, -0.0000739600000000, 0.0007319600000000 ] - [ -0.0001361800000000, -0.0000054100000000, 0.0012070100000000 ] - [ 0.0001806700000000, 0.0000478400000000, -0.0003752900000000 ] - [ 0.0003293200000000, -0.0000714900000000, -0.0004837500000000 ] - [ -0.0033134800000000, 0.0008361800000000, -0.0037747400000000 ] - [ 0.0021937900000000, 0.0009431700000000, -0.0045429600000000 ] - [ 0.0016198300000000, -0.0002610200000000, -0.0070439800000000 ] - [ 0.0036935900000000, -0.0008381000000000, -0.0039868000000000 ] - [ 0.0073864400000000, -0.0180223000000000, -0.0278000200000000 ] - [ 0.0000693200000000, 0.0001127500000000, -0.0003778300000000 ] - [ 0.0024026800000000, 0.0009091100000000, -0.0047585000000000 ] - [ -0.0021743000000000, -0.0006394200000000, -0.0047903800000000 ] - [ -0.0003734900000000, -0.0000112800000000, 0.0014125000000000 ] - [ -0.0000331000000000, -0.0000767000000000, -0.0003151100000000 ] - [ 0.0019139600000000, 0.0009848100000000, 0.0012199700000000 ] - [ -0.0031928600000000, 0.0008334000000000, -0.0037663700000000 ] - [ -0.0003669300000000, 0.0000120800000000, 0.0009459100000000 ] - [ 0.0000843700000000, -0.0001720900000000, 0.0011472800000000 ] - [ -0.0015965300000000, 0.0000446400000000, 0.0009540100000000 ] - [ -0.0002377200000000, 0.0002053000000000, 0.0012744300000000 ] - [ 0.0000068800000000, 0.0000023200000000, 0.0019330600000000 ] - [ 0.0002599900000000, 0.0002353800000000, 0.0013861600000000 ] - [ -0.0001480100000000, 0.0000083900000000, 0.0013315300000000 ] - [ 0.0006662400000000, -0.0003379800000000, 0.0014009200000000 ] - [ -0.0003533500000000, -0.0000006300000000, 0.0013714900000000 ] - [ 0.0001371700000000, -0.0001293400000000, 0.0013075400000000 ] - [ -0.0000917700000000, -0.0000085800000000, 0.0017387700000000 ] - [ 0.0002121800000000, 0.0001433900000000, 0.0014010300000000 ] - [ -0.0000363800000000, -0.0000053200000000, 0.0019186000000000 ] - [ 0.0001565600000000, 0.0001272800000000, 0.0012641500000000 ] - [ -0.0002567600000000, -0.0000001600000000, 0.0013911500000000 ] - [ 0.0002120400000000, -0.0001437200000000, 0.0014026300000000 ] - [ -0.0003533100000000, 0.0000049000000000, 0.0014521100000000 ] - [ -0.0005120900000000, -0.0001065400000000, 0.0014365800000000 ] - [ -0.0000821800000000, 0.0000010500000000, 0.0018598600000000 ] - [ 0.0003846700000000, 0.0002425100000000, 0.0014601800000000 ] - [ -0.0016959300000000, 0.0000566700000000, 0.0011834500000000 ] - [ -0.0003001100000000, 0.0001139800000000, 0.0012007900000000 ] - [ -0.0001414000000000, 0.0000082200000000, 0.0008796200000000 ] - [ 0.0001981900000000, -0.0001647100000000, 0.0011676200000000 ] - [ 0.0020628900000000, 0.0010179900000000, 0.0019238900000000 ] - [ 0.0001002300000000, 0.0002942200000000, 0.0027765700000000 ] - [ 0.0004615400000000, 0.0006983100000000, 0.0058719100000000 ] - [ 0.0004005000000000, 0.0001690100000000, 0.0022417100000000 ]- atom: 24 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0000731900000000, 0.0000000000000000, -0.0007188000000000 ] - [ -0.0023223200000000, 0.0000000000000000, 0.0048726400000000 ] - [ -0.0112531000000000, 0.0000000000000000, 0.0055868000000000 ] - [ 0.0035163100000000, 0.0000000000000000, -0.0050715600000000 ] - [ -0.0005442100000000, 0.0000000000000000, 0.0004259600000000 ] - [ 0.0018211700000000, 0.0000000000000000, 0.0014452300000000 ] - [ 0.0000067300000000, 0.0000000000000000, 0.0000017100000000 ] - [ -0.0001069300000000, 0.0000000000000000, -0.0000995100000000 ] - [ -0.0000717400000000, 0.0000000000000000, 0.0000112500000000 ] - [ 0.0000879600000000, 0.0000000000000000, -0.0000641900000000 ] - [ 0.0000109500000000, 0.0000000000000000, 0.0004387900000000 ] - [ 0.0025634100000000, 0.0000000000000000, -0.0020823200000000 ] - [ 0.0060415900000000, 0.0000000000000000, 0.0004214300000000 ] - [ 0.0120830500000000, 0.0000000000000000, 0.0051255800000000 ] - [ 0.0004885900000000, 0.0000000000000000, -0.0004101900000000 ] - [ 0.0000545100000000, 0.0000000000000000, -0.0014959700000000 ] - [ 0.0000313900000000, 0.0000000000000000, -0.0000406300000000 ] - [ 0.0001385300000000, 0.0000000000000000, -0.0000556100000000 ] - [ 0.0000105400000000, 0.0000000000000000, -0.0001688100000000 ] - [ 0.0001570100000000, 0.0000000000000000, -0.0000836900000000 ] - [ 0.0008578900000000, 0.0000000000000000, -0.0008743300000000 ] - [ -0.0005582500000000, 0.0000000000000000, -0.0003432800000000 ] - [ -0.0032473500000000, 0.0002655400000000, -0.0045191000000000 ] - [ -0.1617147700000000, 0.0000000000000000, -0.0006811900000000 ] - [ -0.0032473500000000, -0.0002655400000000, -0.0045191000000000 ] - [ 0.0089677500000000, -0.0113200400000000, -0.0117648100000000 ] - [ -0.0002525500000000, 0.0000000000000000, 0.0001263400000000 ] - [ -0.0013069300000000, 0.0000000000000000, 0.0027982200000000 ] - [ 0.0110079100000000, 0.0054132000000000, 0.0095601900000000 ] - [ 0.0000658200000000, 0.0000000000000000, -0.0002852000000000 ] - [ 0.0125402900000000, 0.0000000000000000, -0.0063342400000000 ] - [ 0.0007851200000000, -0.0002269500000000, 0.0002355700000000 ] - [ -0.0005752200000000, 0.0000200000000000, -0.0004937200000000 ] - [ -0.0084054100000000, 0.0000000000000000, 0.0000842600000000 ] - [ 0.0000783900000000, -0.0000100300000000, -0.0000716200000000 ] - [ -0.0000447200000000, 0.0000000000000000, -0.0000388200000000 ] - [ 0.0000783900000000, 0.0000100300000000, -0.0000716200000000 ] - [ 0.0002220300000000, 0.0000178900000000, -0.0001162200000000 ] - [ -0.0001538900000000, -0.0000237600000000, -0.0001237900000000 ] - [ 0.0000480200000000, 0.0000000000000000, -0.0000793300000000 ] - [ -0.0011675800000000, 0.0000000000000000, 0.0006179700000000 ] - [ 0.0009832800000000, 0.0000000000000000, 0.0000974400000000 ] - [ 0.0035232400000000, -0.0004947300000000, 0.0016267900000000 ] - [ 0.0067945800000000, 0.0000000000000000, 0.0005020700000000 ] - [ 0.0035232400000000, 0.0004947300000000, 0.0016267900000000 ] - [ 0.0110079100000000, -0.0054132000000000, 0.0095601900000000 ] - [ 0.0001733100000000, 0.0000000000000000, -0.0002373700000000 ] - [ 0.0007178100000000, 0.0000000000000000, -0.0030956900000000 ] - [ 0.0089677500000000, 0.0113200400000000, -0.0117648100000000 ] - [ 0.0000533900000000, 0.0000000000000000, 0.0000351900000000 ] - [ -0.0040264300000000, 0.0000000000000000, 0.0054240700000000 ] - [ -0.0005752200000000, -0.0000200000000000, -0.0004937200000000 ] - [ 0.0007851200000000, 0.0002269500000000, 0.0002355700000000 ] - [ 0.0036097500000000, 0.0000000000000000, -0.0001799100000000 ] - [ 0.0001960000000000, -0.0000120700000000, -0.0000891400000000 ] - [ -0.0000200600000000, 0.0000000000000000, -0.0001137400000000 ] - [ 0.0001960000000000, 0.0000120700000000, -0.0000891400000000 ] - [ -0.0001538900000000, 0.0000237600000000, -0.0001237900000000 ] - [ 0.0002220300000000, -0.0000178900000000, -0.0001162200000000 ] - [ 0.0000292100000000, 0.0000000000000000, -0.0000996400000000 ] - [ 0.0010073800000000, -0.0000522500000000, 0.0000502800000000 ] - [ 0.0089965500000000, 0.0000000000000000, 0.0048715700000000 ] - [ -0.0011519700000000, -0.0002367000000000, 0.0003583500000000 ] - [ 0.0009212300000000, 0.0000000000000000, 0.0005241600000000 ] - [ -0.0047637100000000, 0.0000000000000000, 0.0004496100000000 ] - [ 0.0228242700000000, -0.0309540000000000, 0.0095202400000000 ] - [ 0.0005571400000000, 0.0000000000000000, 0.0014432500000000 ] - [ -0.0020541900000000, 0.0013358500000000, 0.0044257600000000 ] - [ -0.0004712300000000, 0.0000000000000000, -0.0052544900000000 ] - [ 0.0228242700000000, 0.0309540000000000, 0.0095202400000000 ] - [ 0.0817104300000000, 0.0000000000000000, -0.0192220100000000 ] - [ -0.0020541900000000, -0.0013358500000000, 0.0044257600000000 ] - [ 0.0001929700000000, 0.0000000000000000, -0.0057172200000000 ] - [ -0.0004345900000000, 0.0000676300000000, -0.0012562300000000 ] - [ -0.0078311200000000, 0.0000000000000000, -0.0016674500000000 ] - [ -0.0029463800000000, -0.0003545000000000, -0.0011519200000000 ] - [ 0.0001666600000000, 0.0000000000000000, 0.0003745100000000 ] - [ 0.0002107800000000, 0.0003259400000000, 0.0009486300000000 ] - [ 0.0012488400000000, 0.0000000000000000, 0.0002621400000000 ] - [ 0.0051303800000000, 0.0015213100000000, 0.0032117900000000 ] - [ -0.0001660900000000, 0.0000000000000000, -0.0002048600000000 ] - [ 0.0000306500000000, -0.0000134300000000, 0.0000583200000000 ] - [ 0.0008091500000000, 0.0000000000000000, 0.0001462700000000 ] - [ 0.0002699000000000, 0.0000131200000000, 0.0001177100000000 ] - [ 0.0001483300000000, 0.0000000000000000, 0.0000315000000000 ] - [ -0.0000631800000000, -0.0000163300000000, -0.0000411800000000 ] - [ 0.0000571500000000, 0.0000000000000000, 0.0000529000000000 ] - [ 0.0002699000000000, -0.0000131200000000, 0.0001177100000000 ] - [ 0.0000583800000000, 0.0000000000000000, 0.0000403100000000 ] - [ 0.0000540200000000, 0.0000101800000000, 0.0000223400000000 ] - [ 0.0000605700000000, 0.0000000000000000, 0.0000413600000000 ] - [ 0.0000928600000000, 0.0000476500000000, 0.0000166800000000 ] - [ 0.0001653700000000, 0.0000000000000000, 0.0000710900000000 ] - [ 0.0000540200000000, -0.0000101800000000, 0.0000223400000000 ] - [ 0.0002020200000000, 0.0000000000000000, 0.0000321900000000 ] - [ 0.0001231300000000, -0.0000498300000000, 0.0000085700000000 ] - [ -0.0002461300000000, 0.0000000000000000, 0.0003316200000000 ] - [ -0.0000196500000000, 0.0000000000000000, 0.0000151900000000 ] - [ -0.0001325900000000, 0.0000202500000000, -0.0001386700000000 ] - [ -0.0001325900000000, -0.0000202500000000, -0.0001386700000000 ] - [ -0.0011519700000000, 0.0002367000000000, 0.0003583500000000 ] - [ -0.0030203700000000, 0.0000000000000000, -0.0003248600000000 ] - [ 0.0010073800000000, 0.0000522500000000, 0.0000502800000000 ] - [ -0.0004851000000000, 0.0000000000000000, -0.0014589700000000 ] - [ 0.0048810900000000, 0.0000000000000000, 0.0016630300000000 ] - [ -0.0072925500000000, 0.0022799900000000, -0.0008280200000000 ] - [ -0.0004596400000000, 0.0000000000000000, -0.0015128400000000 ] - [ -0.0029312600000000, 0.0019028400000000, -0.0049666900000000 ] - [ -0.0041225600000000, 0.0000000000000000, 0.0059217500000000 ] - [ -0.0072925500000000, -0.0022799900000000, -0.0008280200000000 ] - [ -0.0061556800000000, 0.0000000000000000, 0.0003811400000000 ] - [ -0.0029312600000000, -0.0019028400000000, -0.0049666900000000 ] - [ -0.0017603800000000, 0.0000000000000000, 0.0015502200000000 ] - [ 0.0002107800000000, -0.0003259400000000, 0.0009486300000000 ] - [ 0.0029316400000000, 0.0000000000000000, 0.0004199300000000 ] - [ 0.0051303800000000, -0.0015213100000000, 0.0032117900000000 ] - [ -0.0000861800000000, 0.0000000000000000, -0.0002328100000000 ] - [ -0.0004345900000000, -0.0000676300000000, -0.0012562300000000 ] - [ -0.0013795500000000, 0.0000000000000000, 0.0004738700000000 ] - [ -0.0029463800000000, 0.0003545000000000, -0.0011519200000000 ] - [ -0.0000122700000000, 0.0000000000000000, 0.0002477200000000 ] - [ -0.0000631800000000, 0.0000163300000000, -0.0000411800000000 ] - [ -0.0007938100000000, 0.0000000000000000, -0.0002102800000000 ] - [ -0.0001731000000000, -0.0000365100000000, 0.0001902500000000 ] - [ 0.0001175500000000, 0.0000000000000000, 0.0000347800000000 ] - [ 0.0000306500000000, 0.0000134300000000, 0.0000583200000000 ] - [ -0.0000608300000000, 0.0000000000000000, 0.0001278400000000 ] - [ -0.0001731000000000, 0.0000365100000000, 0.0001902500000000 ] - [ 0.0000229800000000, 0.0000000000000000, 0.0000508400000000 ] - [ 0.0000046200000000, 0.0000090400000000, 0.0000811600000000 ] - [ -0.0000173200000000, 0.0000000000000000, 0.0001138700000000 ] - [ 0.0001231300000000, 0.0000498300000000, 0.0000085700000000 ] - [ -0.0001232000000000, 0.0000000000000000, 0.0003056200000000 ] - [ 0.0000046200000000, -0.0000090400000000, 0.0000811600000000 ] - [ 0.0001162700000000, 0.0000000000000000, -0.0000225200000000 ] - [ 0.0000928600000000, -0.0000476500000000, 0.0000166800000000 ] - [ 0.0001891200000000, 0.0000000000000000, 0.0000634100000000 ] - [ 0.0000652600000000, 0.0000000000000000, 0.0001002100000000 ] - [ 0.0002242600000000, 0.0000835000000000, 0.0002912100000000 ] - [ 0.0002242600000000, -0.0000835000000000, 0.0002912100000000 ]- atom: 24 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0000055800000000, 0.0000000000000000, 0.0005547500000000 ] - [ 0.0021354700000000, 0.0000000000000000, -0.0048731200000000 ] - [ 0.0111219700000000, 0.0000000000000000, -0.0055796500000000 ] - [ -0.0036756200000000, 0.0000000000000000, 0.0051489000000000 ] - [ 0.0005392200000000, 0.0000000000000000, -0.0004559600000000 ] - [ -0.0017429900000000, 0.0000000000000000, -0.0014396200000000 ] - [ 0.0000319000000000, 0.0000000000000000, 0.0000425900000000 ] - [ 0.0001177600000000, 0.0000000000000000, 0.0000420600000000 ] - [ 0.0000111100000000, 0.0000000000000000, -0.0000927800000000 ] - [ 0.0001556900000000, 0.0000000000000000, 0.0000120100000000 ] - [ 0.0000609600000000, 0.0000000000000000, -0.0005954100000000 ] - [ -0.0027128100000000, 0.0000000000000000, 0.0020669900000000 ] - [ -0.0061603100000000, 0.0000000000000000, -0.0004601800000000 ] - [ -0.0121810100000000, 0.0000000000000000, -0.0050351700000000 ] - [ -0.0004893500000000, 0.0000000000000000, 0.0003783900000000 ] - [ 0.0000201300000000, 0.0000000000000000, 0.0015028800000000 ] - [ 0.0000088700000000, 0.0000000000000000, 0.0000843200000000 ] - [ -0.0001294100000000, 0.0000000000000000, 0.0000006100000000 ] - [ -0.0000687000000000, 0.0000000000000000, 0.0000840100000000 ] - [ 0.0000863200000000, 0.0000000000000000, 0.0000317400000000 ] - [ -0.0006801700000000, 0.0000000000000000, 0.0008388500000000 ] - [ 0.0006986900000000, 0.0000000000000000, 0.0002635300000000 ] - [ 0.0033443000000000, -0.0004983800000000, 0.0044752600000000 ] - [ 0.1564285100000000, 0.0000000000000000, 0.0036774600000000 ] - [ 0.0033443000000000, 0.0004983800000000, 0.0044752600000000 ] - [ -0.0089744600000000, 0.0114628300000000, 0.0116729200000000 ] - [ 0.0002349500000000, 0.0000000000000000, -0.0000901500000000 ] - [ 0.0012332700000000, 0.0000000000000000, -0.0027278300000000 ] - [ -0.0110741400000000, -0.0056713000000000, -0.0096405500000000 ] - [ 0.0000535300000000, 0.0000000000000000, 0.0001787000000000 ] - [ -0.0129662300000000, 0.0000000000000000, 0.0064153100000000 ] - [ -0.0007415100000000, 0.0001396800000000, -0.0002598900000000 ] - [ 0.0006168200000000, 0.0000687100000000, 0.0004705700000000 ] - [ 0.0082506400000000, 0.0000000000000000, -0.0000116600000000 ] - [ 0.0001972200000000, -0.0000144800000000, 0.0000453400000000 ] - [ -0.0000207700000000, 0.0000000000000000, 0.0000271100000000 ] - [ 0.0001972200000000, 0.0000144800000000, 0.0000453400000000 ] - [ -0.0001635800000000, 0.0000374500000000, 0.0000246800000000 ] - [ 0.0002103000000000, -0.0000313600000000, 0.0000282900000000 ] - [ 0.0000335500000000, 0.0000000000000000, 0.0000456400000000 ] - [ 0.0013167400000000, 0.0000000000000000, -0.0006526200000000 ] - [ -0.0008388700000000, 0.0000000000000000, -0.0001620000000000 ] - [ -0.0034647700000000, 0.0002277900000000, -0.0016115600000000 ] - [ -0.0070777900000000, 0.0000000000000000, -0.0003669300000000 ] - [ -0.0034647700000000, -0.0002277900000000, -0.0016115600000000 ] - [ -0.0110741400000000, 0.0056713000000000, -0.0096405500000000 ] - [ -0.0001911900000000, 0.0000000000000000, 0.0002731700000000 ] - [ -0.0007911600000000, 0.0000000000000000, 0.0031564900000000 ] - [ -0.0089744600000000, -0.0114628300000000, 0.0116729200000000 ] - [ 0.0000655100000000, 0.0000000000000000, -0.0001427500000000 ] - [ 0.0035955400000000, 0.0000000000000000, -0.0053954100000000 ] - [ 0.0006168200000000, -0.0000687100000000, 0.0004705700000000 ] - [ -0.0007415100000000, -0.0001396800000000, -0.0002598900000000 ] - [ -0.0037557300000000, 0.0000000000000000, 0.0002166200000000 ] - [ 0.0000782900000000, -0.0000133600000000, 0.0000637800000000 ] - [ -0.0000468600000000, 0.0000000000000000, 0.0001030500000000 ] - [ 0.0000782900000000, 0.0000133600000000, 0.0000637800000000 ] - [ 0.0002103000000000, 0.0000313600000000, 0.0000282900000000 ] - [ -0.0001635800000000, -0.0000374500000000, 0.0000246800000000 ] - [ 0.0000531300000000, 0.0000000000000000, 0.0000659200000000 ] - [ -0.0010296300000000, 0.0003421500000000, -0.0000651500000000 ] - [ -0.0092809600000000, 0.0000000000000000, -0.0049783000000000 ] - [ 0.0011073200000000, -0.0000679600000000, -0.0003993300000000 ] - [ -0.0009876800000000, 0.0000000000000000, -0.0005401100000000 ] - [ 0.0045642400000000, 0.0000000000000000, -0.0005517100000000 ] - [ -0.0229434600000000, 0.0316402400000000, -0.0096636400000000 ] - [ -0.0004380600000000, 0.0000000000000000, -0.0016987100000000 ] - [ 0.0019154600000000, -0.0013161200000000, -0.0044811100000000 ] - [ 0.0001711200000000, 0.0000000000000000, 0.0053754200000000 ] - [ -0.0229434600000000, -0.0316402400000000, -0.0096636400000000 ] - [ -0.0770416700000000, 0.0000000000000000, 0.0174963400000000 ] - [ 0.0019154600000000, 0.0013161200000000, -0.0044811100000000 ] - [ -0.0002888200000000, 0.0000000000000000, 0.0056500300000000 ] - [ 0.0004293500000000, -0.0002068800000000, 0.0011311200000000 ] - [ 0.0078046300000000, 0.0000000000000000, 0.0015594700000000 ] - [ 0.0029546500000000, 0.0005864700000000, 0.0011905900000000 ] - [ -0.0000308600000000, 0.0000000000000000, -0.0003585000000000 ] - [ -0.0002137700000000, -0.0001853100000000, -0.0010723700000000 ] - [ -0.0012865300000000, 0.0000000000000000, -0.0002020000000000 ] - [ -0.0051023900000000, -0.0017464000000000, -0.0031763300000000 ] - [ -0.0000006300000000, 0.0000000000000000, 0.0002298300000000 ] - [ -0.0000701400000000, 0.0000259900000000, -0.0001197700000000 ] - [ -0.0009823400000000, 0.0000000000000000, -0.0003146400000000 ] - [ -0.0002107100000000, -0.0000264200000000, 0.0000764300000000 ] - [ 0.0001209700000000, 0.0000000000000000, -0.0000757000000000 ] - [ 0.0000234800000000, 0.0000034700000000, -0.0000204800000000 ] - [ -0.0000424600000000, 0.0000000000000000, 0.0000318800000000 ] - [ -0.0002107100000000, 0.0000264200000000, 0.0000764300000000 ] - [ 0.0000381800000000, 0.0000000000000000, -0.0000314200000000 ] - [ -0.0000090200000000, 0.0000161100000000, -0.0000077000000000 ] - [ -0.0000150500000000, 0.0000000000000000, -0.0000025500000000 ] - [ 0.0001142900000000, 0.0000384600000000, -0.0000733200000000 ] - [ -0.0001847200000000, 0.0000000000000000, 0.0002248400000000 ] - [ -0.0000090200000000, -0.0000161100000000, -0.0000077000000000 ] - [ 0.0001320500000000, 0.0000000000000000, -0.0001011700000000 ] - [ 0.0000828700000000, -0.0000326800000000, -0.0000650600000000 ] - [ 0.0001748400000000, 0.0000000000000000, -0.0000786700000000 ] - [ 0.0000751700000000, 0.0000000000000000, -0.0000229500000000 ] - [ 0.0002588400000000, 0.0000551500000000, 0.0002094100000000 ] - [ 0.0002588400000000, -0.0000551500000000, 0.0002094100000000 ] - [ 0.0011073200000000, 0.0000679600000000, -0.0003993300000000 ] - [ 0.0028278000000000, 0.0000000000000000, 0.0006047000000000 ] - [ -0.0010296300000000, -0.0003421500000000, -0.0000651500000000 ] - [ 0.0004426100000000, 0.0000000000000000, 0.0014146400000000 ] - [ -0.0050771800000000, 0.0000000000000000, -0.0017387800000000 ] - [ 0.0071845800000000, -0.0023140800000000, 0.0009340300000000 ] - [ 0.0005931300000000, 0.0000000000000000, 0.0012482500000000 ] - [ 0.0027932200000000, -0.0018445700000000, 0.0048925200000000 ] - [ 0.0038341800000000, 0.0000000000000000, -0.0057808400000000 ] - [ 0.0071845800000000, 0.0023140800000000, 0.0009340300000000 ] - [ 0.0060383400000000, 0.0000000000000000, -0.0003395700000000 ] - [ 0.0027932200000000, 0.0018445700000000, 0.0048925200000000 ] - [ 0.0016784100000000, 0.0000000000000000, -0.0016160100000000 ] - [ -0.0002137700000000, 0.0001853100000000, -0.0010723700000000 ] - [ -0.0029853800000000, 0.0000000000000000, -0.0005518300000000 ] - [ -0.0051023900000000, 0.0017464000000000, -0.0031763300000000 ] - [ 0.0002226000000000, 0.0000000000000000, 0.0002487500000000 ] - [ 0.0004293500000000, 0.0002068800000000, 0.0011311200000000 ] - [ 0.0013398900000000, 0.0000000000000000, -0.0004113000000000 ] - [ 0.0029546500000000, -0.0005864700000000, 0.0011905900000000 ] - [ -0.0001569200000000, 0.0000000000000000, -0.0002226600000000 ] - [ 0.0000234800000000, -0.0000034700000000, -0.0000204800000000 ] - [ 0.0006201900000000, 0.0000000000000000, 0.0000484300000000 ] - [ 0.0002329900000000, 0.0000279000000000, 0.0000047000000000 ] - [ 0.0001507600000000, 0.0000000000000000, -0.0000797200000000 ] - [ -0.0000701400000000, -0.0000259900000000, -0.0001197700000000 ] - [ 0.0000753800000000, 0.0000000000000000, -0.0000432500000000 ] - [ 0.0002329900000000, -0.0000279000000000, 0.0000047000000000 ] - [ 0.0000757500000000, 0.0000000000000000, -0.0000415900000000 ] - [ 0.0000380400000000, 0.0000165100000000, -0.0000669100000000 ] - [ 0.0000617500000000, 0.0000000000000000, -0.0000779600000000 ] - [ 0.0000828700000000, 0.0000326800000000, -0.0000650600000000 ] - [ 0.0001005400000000, 0.0000000000000000, -0.0000080400000000 ] - [ 0.0000380400000000, -0.0000165100000000, -0.0000669100000000 ] - [ 0.0002196900000000, 0.0000000000000000, -0.0000476700000000 ] - [ 0.0001142900000000, -0.0000384600000000, -0.0000733200000000 ] - [ -0.0002556900000000, 0.0000000000000000, 0.0001921200000000 ] - [ -0.0000095000000000, 0.0000000000000000, -0.0001036200000000 ] - [ -0.0000983600000000, -0.0000094000000000, -0.0002141400000000 ] - [ -0.0000983600000000, 0.0000094000000000, -0.0002141400000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000326900000000, -0.0000285000000000, -0.0000733400000000 ] - [ -0.0000898900000000, -0.0007473700000000, -0.0000328800000000 ] - [ -0.0000966100000000, 0.0178957200000000, -0.0000582700000000 ] - [ -0.0001589600000000, 0.0183008400000000, 0.0000220500000000 ] - [ -0.0000082300000000, 0.0000762500000000, -0.0000151400000000 ] - [ 0.0000351700000000, 0.0001304200000000, -0.0000041100000000 ] - [ 0.0000226000000000, 0.0000019400000000, 0.0000189900000000 ] - [ 0.0000015500000000, 0.0000092300000000, -0.0000301400000000 ] - [ -0.0000225100000000, 0.0000110300000000, -0.0000367400000000 ] - [ 0.0001223700000000, 0.0000041000000000, -0.0000204500000000 ] - [ 0.0000321100000000, 0.0000272700000000, -0.0000751300000000 ] - [ -0.0000773000000000, 0.0013568400000000, -0.0000175300000000 ] - [ -0.0000603000000000, 0.0002908400000000, -0.0000104100000000 ] - [ -0.0001173200000000, -0.0006030100000000, 0.0000319600000000 ] - [ -0.0000068000000000, 0.0000995600000000, -0.0000157500000000 ] - [ 0.0000351400000000, 0.0013232300000000, -0.0000070600000000 ] - [ 0.0000223800000000, 0.0000017500000000, 0.0000189000000000 ] - [ 0.0000019900000000, 0.0000109500000000, -0.0000301700000000 ] - [ -0.0000223800000000, 0.0000162400000000, -0.0000367200000000 ] - [ 0.0001225200000000, 0.0000023700000000, -0.0000206300000000 ] - [ 0.0000653000000000, -0.0002868400000000, -0.0000138000000000 ] - [ 0.0000777100000000, 0.0002392500000000, -0.0000004400000000 ] - [ -0.0007400400000000, 0.0004028400000000, -0.0050613400000000 ] - [ 0.0021508700000000, -0.1641307300000000, 0.0017195200000000 ] - [ 0.0007639100000000, 0.0006274800000000, 0.0050645800000000 ] - [ -0.0049572100000000, 0.0005273700000000, 0.0008302500000000 ] - [ -0.0000029000000000, -0.0000211400000000, 0.0000201200000000 ] - [ -0.0000448300000000, -0.0004388700000000, 0.0000307700000000 ] - [ 0.0126061600000000, 0.0004356400000000, 0.0089914000000000 ] - [ 0.0000546600000000, -0.0000038200000000, -0.0000603900000000 ] - [ -0.0001618500000000, -0.0042727500000000, -0.0000029600000000 ] - [ -0.0000529300000000, -0.0000462200000000, -0.0000542900000000 ] - [ 0.0001176600000000, 0.0000384300000000, 0.0001155700000000 ] - [ -0.0000670300000000, -0.0041255600000000, 0.0000393100000000 ] - [ 0.0001345500000000, -0.0000147300000000, -0.0000191400000000 ] - [ -0.0000348500000000, -0.0000081200000000, -0.0000052100000000 ] - [ 0.0001372100000000, 0.0000144700000000, -0.0000168500000000 ] - [ 0.0000158500000000, 0.0000121500000000, -0.0000478800000000 ] - [ 0.0000420700000000, -0.0000111700000000, -0.0000205000000000 ] - [ 0.0000434100000000, 0.0000000300000000, -0.0000147100000000 ] - [ 0.0000643300000000, -0.0003963200000000, -0.0000114600000000 ] - [ 0.0000786700000000, 0.0001350100000000, 0.0000015100000000 ] - [ 0.0004614200000000, -0.0001589200000000, 0.0003729400000000 ] - [ -0.0001494800000000, -0.0008597900000000, 0.0000574400000000 ] - [ -0.0004287700000000, 0.0001425900000000, -0.0003983900000000 ] - [ -0.0126931600000000, 0.0006430000000000, -0.0090258400000000 ] - [ -0.0000021100000000, -0.0000266700000000, 0.0000198600000000 ] - [ -0.0000409200000000, -0.0003286700000000, 0.0000297100000000 ] - [ 0.0049150200000000, 0.0002675500000000, -0.0008638500000000 ] - [ 0.0000546000000000, -0.0000073600000000, -0.0000601000000000 ] - [ -0.0001143700000000, 0.0098264600000000, 0.0000412200000000 ] - [ -0.0000724400000000, -0.0000428500000000, -0.0001401700000000 ] - [ 0.0001007700000000, 0.0000352800000000, 0.0000324400000000 ] - [ -0.0000601800000000, 0.0000162500000000, 0.0000296600000000 ] - [ 0.0001344100000000, -0.0000146000000000, -0.0000192200000000 ] - [ -0.0000363700000000, -0.0000053600000000, -0.0000043500000000 ] - [ 0.0001377500000000, 0.0000145600000000, -0.0000168900000000 ] - [ 0.0000060600000000, 0.0000114600000000, -0.0000619900000000 ] - [ 0.0000323900000000, -0.0000110700000000, -0.0000339500000000 ] - [ 0.0000429400000000, -0.0000012600000000, -0.0000149400000000 ] - [ -0.0005830200000000, 0.0004311300000000, -0.0007439900000000 ] - [ -0.0000922700000000, 0.0070383300000000, -0.0000669900000000 ] - [ -0.0002309100000000, -0.0001720000000000, 0.0002436100000000 ] - [ -0.0000399100000000, -0.0000780900000000, -0.0000001700000000 ] - [ -0.0000735000000000, 0.0004132700000000, -0.0000382700000000 ] - [ -0.0282786600000000, 0.0654461000000000, -0.0204293200000000 ] - [ 0.0000792500000000, -0.0003925100000000, -0.0001265200000000 ] - [ 0.0020287400000000, -0.0005485500000000, -0.0033307500000000 ] - [ -0.0001483100000000, -0.0058872800000000, 0.0000658200000000 ] - [ 0.0261426700000000, 0.0623244800000000, 0.0190607300000000 ] - [ -0.0002540200000000, 0.0065853900000000, 0.0000939500000000 ] - [ -0.0021244400000000, -0.0005604600000000, 0.0032903600000000 ] - [ -0.0000290400000000, 0.0049000700000000, -0.0000290000000000 ] - [ 0.0001347100000000, -0.0001234700000000, 0.0001601200000000 ] - [ -0.0000205000000000, 0.0048821800000000, -0.0000456000000000 ] - [ 0.0000715900000000, 0.0001295500000000, 0.0001037200000000 ] - [ 0.0000659900000000, -0.0000301600000000, 0.0000157100000000 ] - [ 0.0001321900000000, 0.0000512500000000, -0.0003472600000000 ] - [ -0.0000119600000000, -0.0001735100000000, 0.0000265800000000 ] - [ 0.0024120700000000, -0.0006372600000000, -0.0029080000000000 ] - [ -0.0000877400000000, 0.0000304000000000, 0.0000167400000000 ] - [ -0.0000274100000000, 0.0000176700000000, -0.0000321200000000 ] - [ -0.0000794500000000, 0.0001503300000000, -0.0000790900000000 ] - [ 0.0000356100000000, 0.0000074300000000, 0.0001242800000000 ] - [ 0.0001332800000000, 0.0000006400000000, -0.0000310900000000 ] - [ -0.0000278300000000, -0.0000190100000000, -0.0000403400000000 ] - [ 0.0000149400000000, -0.0000010800000000, 0.0000412000000000 ] - [ 0.0000395900000000, -0.0000038200000000, 0.0000798700000000 ] - [ 0.0000375600000000, -0.0000005100000000, 0.0000075100000000 ] - [ 0.0000181500000000, 0.0000233400000000, -0.0000078400000000 ] - [ 0.0000232300000000, 0.0000016300000000, 0.0000140600000000 ] - [ 0.0001121400000000, 0.0000644000000000, -0.0000216600000000 ] - [ -0.0000148000000000, 0.0000732700000000, 0.0001251200000000 ] - [ 0.0000226900000000, -0.0000199100000000, 0.0000076600000000 ] - [ 0.0001625800000000, 0.0000033300000000, -0.0000383600000000 ] - [ 0.0001117200000000, -0.0000648300000000, -0.0000220800000000 ] - [ -0.0000078300000000, -0.0000157900000000, 0.0001111100000000 ] - [ 0.0000145400000000, -0.0000004600000000, -0.0000149800000000 ] - [ 0.0000697700000000, 0.0000314500000000, 0.0000144400000000 ] - [ 0.0000239600000000, -0.0000223200000000, 0.0000470300000000 ] - [ 0.0001849100000000, 0.0000914700000000, -0.0002495400000000 ] - [ -0.0001010900000000, -0.0004109900000000, 0.0001439600000000 ] - [ 0.0005376700000000, 0.0001844100000000, 0.0007432600000000 ] - [ -0.0000331000000000, -0.0002098800000000, -0.0000076500000000 ] - [ -0.0000689300000000, -0.0065788500000000, -0.0000909700000000 ] - [ -0.0006675800000000, 0.0002580800000000, -0.0002049200000000 ] - [ 0.0000750500000000, 0.0003419500000000, -0.0001197900000000 ] - [ 0.0012264600000000, -0.0005825500000000, 0.0008481000000000 ] - [ -0.0001458200000000, -0.0000460800000000, 0.0000730200000000 ] - [ 0.0005407300000000, 0.0002871400000000, 0.0002935100000000 ] - [ -0.0000570200000000, -0.0057702300000000, 0.0000179400000000 ] - [ -0.0013399400000000, -0.0005523400000000, -0.0008753500000000 ] - [ -0.0000377900000000, -0.0003158900000000, -0.0000245600000000 ] - [ -0.0001540000000000, -0.0000631300000000, 0.0002113900000000 ] - [ -0.0000683500000000, -0.0062731100000000, -0.0000247100000000 ] - [ -0.0024024600000000, -0.0003988600000000, 0.0029612300000000 ] - [ 0.0000655900000000, -0.0000416100000000, 0.0000150000000000 ] - [ -0.0001570000000000, -0.0000120100000000, -0.0003008900000000 ] - [ -0.0000143900000000, -0.0000095300000000, 0.0000265100000000 ] - [ -0.0000569100000000, -0.0000964500000000, -0.0000707100000000 ] - [ -0.0000870200000000, 0.0000254500000000, 0.0000174000000000 ] - [ -0.0000267600000000, 0.0000172600000000, -0.0000307300000000 ] - [ -0.0000814500000000, 0.0000081800000000, -0.0000806500000000 ] - [ 0.0000232400000000, 0.0000052300000000, 0.0001233300000000 ] - [ 0.0001335000000000, -0.0000001700000000, -0.0000308600000000 ] - [ -0.0000272200000000, -0.0000184800000000, -0.0000388000000000 ] - [ 0.0000147300000000, -0.0000016400000000, 0.0000412600000000 ] - [ 0.0000511500000000, -0.0000041500000000, 0.0000810200000000 ] - [ 0.0000375200000000, 0.0000003600000000, 0.0000072800000000 ] - [ 0.0000225400000000, 0.0000221800000000, -0.0000040400000000 ] - [ 0.0000235900000000, 0.0000019500000000, 0.0000148200000000 ] - [ 0.0001120500000000, 0.0000650300000000, -0.0000216600000000 ] - [ -0.0000152900000000, 0.0000142000000000, 0.0001252200000000 ] - [ 0.0000180800000000, -0.0000221600000000, 0.0000036500000000 ] - [ 0.0001624500000000, 0.0000007700000000, -0.0000383600000000 ] - [ 0.0001115900000000, -0.0000640500000000, -0.0000227500000000 ] - [ -0.0000083200000000, -0.0000584500000000, 0.0001113900000000 ] - [ 0.0000143200000000, -0.0000027700000000, -0.0000150700000000 ] - [ 0.0000617900000000, 0.0000258300000000, -0.0000085400000000 ] - [ 0.0000316400000000, -0.0000274800000000, 0.0000699600000000 ]- atom: 24 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0006570400000000, 0.0000000000000000, 0.0014632000000000 ] - [ 0.0094765200000000, 0.0000000000000000, 0.0065664200000000 ] - [ -0.0020758800000000, 0.0000000000000000, 0.0024141300000000 ] - [ 0.0006979400000000, 0.0000000000000000, -0.0144993800000000 ] - [ 0.0002715700000000, 0.0000000000000000, 0.0016373600000000 ] - [ 0.0020545100000000, 0.0000000000000000, 0.0017750100000000 ] - [ 0.0000476500000000, 0.0000000000000000, 0.0014587700000000 ] - [ 0.0000318100000000, 0.0000000000000000, 0.0016926800000000 ] - [ 0.0004333900000000, 0.0000000000000000, 0.0012684800000000 ] - [ 0.0002199700000000, 0.0000000000000000, 0.0016944600000000 ] - [ 0.0005637600000000, 0.0000000000000000, 0.0007519600000000 ] - [ -0.0018355000000000, 0.0000000000000000, -0.0003969800000000 ] - [ 0.0006347000000000, 0.0000000000000000, -0.0014295200000000 ] - [ 0.0014196900000000, 0.0000000000000000, -0.0079756400000000 ] - [ -0.0001965800000000, 0.0000000000000000, 0.0012768300000000 ] - [ -0.0016288700000000, 0.0000000000000000, 0.0024653500000000 ] - [ 0.0000381900000000, 0.0000000000000000, 0.0014365100000000 ] - [ 0.0000915000000000, 0.0000000000000000, 0.0015604100000000 ] - [ -0.0002988300000000, 0.0000000000000000, 0.0016024900000000 ] - [ 0.0001349400000000, 0.0000000000000000, 0.0015986300000000 ] - [ -0.0028744000000000, 0.0000000000000000, 0.0014301000000000 ] - [ 0.0001899200000000, 0.0000000000000000, 0.0046641300000000 ] - [ -0.0083161800000000, -0.0121017800000000, 0.0107333400000000 ] - [ -0.0245100500000000, 0.0000000000000000, -0.1574473900000000 ] - [ -0.0083161800000000, 0.0121017800000000, 0.0107333400000000 ] - [ -0.0069856100000000, 0.0029650700000000, -0.0015422600000000 ] - [ 0.0000683700000000, 0.0000000000000000, 0.0024706700000000 ] - [ 0.0004893300000000, 0.0000000000000000, 0.0026562800000000 ] - [ 0.0108101100000000, 0.0042968200000000, 0.0020552800000000 ] - [ -0.0000646100000000, 0.0000000000000000, 0.0023159900000000 ] - [ -0.0046282600000000, 0.0000000000000000, -0.0109403400000000 ] - [ 0.0004674600000000, -0.0001204400000000, 0.0019539900000000 ] - [ -0.0003358300000000, 0.0003035800000000, 0.0026118900000000 ] - [ -0.0012002800000000, 0.0000000000000000, 0.0118246400000000 ] - [ 0.0002087700000000, -0.0001395000000000, 0.0022553300000000 ] - [ 0.0000886200000000, 0.0000000000000000, 0.0023491000000000 ] - [ 0.0002087700000000, 0.0001395000000000, 0.0022553300000000 ] - [ -0.0001046300000000, -0.0002202400000000, 0.0018830200000000 ] - [ 0.0001778200000000, 0.0001516600000000, 0.0026347500000000 ] - [ -0.0000091700000000, 0.0000000000000000, 0.0022346100000000 ] - [ 0.0025489800000000, 0.0000000000000000, 0.0021385700000000 ] - [ 0.0003182600000000, 0.0000000000000000, 0.0012713900000000 ] - [ 0.0018789200000000, -0.0001000900000000, -0.0014528800000000 ] - [ 0.0012828800000000, 0.0000000000000000, -0.0073394400000000 ] - [ 0.0018789200000000, 0.0001000900000000, -0.0014528800000000 ] - [ 0.0108101100000000, -0.0042968200000000, 0.0020552800000000 ] - [ -0.0002290700000000, 0.0000000000000000, 0.0023151700000000 ] - [ -0.0008900000000000, 0.0000000000000000, 0.0012182600000000 ] - [ -0.0069856100000000, -0.0029650700000000, -0.0015422600000000 ] - [ 0.0000292400000000, 0.0000000000000000, 0.0022790600000000 ] - [ 0.0046554800000000, 0.0000000000000000, -0.0106827200000000 ] - [ -0.0003358300000000, -0.0003035800000000, 0.0026118900000000 ] - [ 0.0004674600000000, 0.0001204400000000, 0.0019539900000000 ] - [ 0.0002543200000000, 0.0000000000000000, 0.0007725900000000 ] - [ 0.0001617500000000, -0.0001224000000000, 0.0021898600000000 ] - [ -0.0003012600000000, 0.0000000000000000, 0.0024360900000000 ] - [ 0.0001617500000000, 0.0001224000000000, 0.0021898600000000 ] - [ 0.0001778200000000, -0.0001516600000000, 0.0026347500000000 ] - [ -0.0001046300000000, 0.0002202400000000, 0.0018830200000000 ] - [ -0.0000454700000000, 0.0000000000000000, 0.0024501500000000 ] - [ -0.0025334000000000, 0.0022997600000000, -0.0044878200000000 ] - [ 0.0075456600000000, 0.0000000000000000, 0.0837956500000000 ] - [ 0.0008254400000000, 0.0002021600000000, 0.0002292200000000 ] - [ 0.0044059500000000, 0.0000000000000000, -0.0051051200000000 ] - [ -0.0007927700000000, 0.0000000000000000, 0.0029482300000000 ] - [ 0.0130544100000000, -0.0270895400000000, 0.0201093500000000 ] - [ 0.0012775400000000, 0.0000000000000000, -0.0003912700000000 ] - [ 0.0052722700000000, -0.0018025200000000, 0.0049785500000000 ] - [ -0.0014968400000000, 0.0000000000000000, -0.0014416100000000 ] - [ 0.0130544100000000, 0.0270895400000000, 0.0201093500000000 ] - [ -0.0093553400000000, 0.0000000000000000, 0.0128040700000000 ] - [ 0.0052722700000000, 0.0018025200000000, 0.0049785500000000 ] - [ -0.0040316200000000, 0.0000000000000000, -0.0037629700000000 ] - [ -0.0007078600000000, -0.0000731200000000, -0.0016768300000000 ] - [ -0.0042492300000000, 0.0000000000000000, 0.0056768100000000 ] - [ -0.0011562100000000, -0.0001077500000000, 0.0001469800000000 ] - [ 0.0002649900000000, 0.0000000000000000, -0.0019503200000000 ] - [ 0.0004789000000000, 0.0000287700000000, -0.0013419300000000 ] - [ 0.0001584800000000, 0.0000000000000000, -0.0018897400000000 ] - [ 0.0031144000000000, -0.0019759600000000, -0.0026818600000000 ] - [ 0.0000025900000000, 0.0000000000000000, -0.0013647900000000 ] - [ -0.0001989100000000, 0.0001639000000000, -0.0014281100000000 ] - [ 0.0001211600000000, 0.0000000000000000, -0.0032868900000000 ] - [ -0.0002321000000000, -0.0001922100000000, -0.0014369700000000 ] - [ 0.0001910800000000, 0.0000000000000000, -0.0020171800000000 ] - [ -0.0002191400000000, -0.0001645100000000, -0.0013949300000000 ] - [ 0.0002436300000000, 0.0000000000000000, -0.0014168500000000 ] - [ -0.0002321000000000, 0.0001922100000000, -0.0014369700000000 ] - [ 0.0002500900000000, 0.0000000000000000, -0.0014147800000000 ] - [ -0.0003247100000000, 0.0001960800000000, -0.0014574100000000 ] - [ 0.0000845200000000, 0.0000000000000000, -0.0019916800000000 ] - [ -0.0000369600000000, -0.0000697500000000, -0.0013503300000000 ] - [ -0.0004211200000000, 0.0000000000000000, -0.0023632300000000 ] - [ -0.0003247100000000, -0.0001960800000000, -0.0014574100000000 ] - [ 0.0004544800000000, 0.0000000000000000, -0.0016304200000000 ] - [ -0.0000865900000000, 0.0000916100000000, -0.0014374100000000 ] - [ 0.0003788900000000, 0.0000000000000000, -0.0009513100000000 ] - [ 0.0000785400000000, 0.0000000000000000, -0.0017540100000000 ] - [ -0.0002018800000000, 0.0000016300000000, -0.0009173700000000 ] - [ -0.0002018800000000, -0.0000016300000000, -0.0009173700000000 ] - [ 0.0008254400000000, -0.0002021600000000, 0.0002292200000000 ] - [ -0.0005597300000000, 0.0000000000000000, 0.0043112300000000 ] - [ -0.0025334000000000, -0.0022997600000000, -0.0044878200000000 ] - [ -0.0016500800000000, 0.0000000000000000, 0.0000442200000000 ] - [ 0.0001243500000000, 0.0000000000000000, 0.0046760200000000 ] - [ 0.0006623600000000, -0.0007332600000000, 0.0032053500000000 ] - [ -0.0011845900000000, 0.0000000000000000, -0.0000501500000000 ] - [ -0.0048688200000000, 0.0018212900000000, 0.0023658500000000 ] - [ 0.0008765500000000, 0.0000000000000000, 0.0007785400000000 ] - [ 0.0006623600000000, 0.0007332600000000, 0.0032053500000000 ] - [ -0.0046862000000000, 0.0000000000000000, 0.0039713400000000 ] - [ -0.0048688200000000, -0.0018212900000000, 0.0023658500000000 ] - [ 0.0011587800000000, 0.0000000000000000, 0.0005332300000000 ] - [ 0.0004789000000000, -0.0000287700000000, -0.0013419300000000 ] - [ 0.0025161200000000, 0.0000000000000000, 0.0067445800000000 ] - [ 0.0031144000000000, 0.0019759600000000, -0.0026818600000000 ] - [ 0.0000223600000000, 0.0000000000000000, -0.0019068300000000 ] - [ -0.0007078600000000, 0.0000731200000000, -0.0016768300000000 ] - [ -0.0000121600000000, 0.0000000000000000, -0.0008709500000000 ] - [ -0.0011562100000000, 0.0001077500000000, 0.0001469800000000 ] - [ 0.0003573800000000, 0.0000000000000000, -0.0015083800000000 ] - [ -0.0002191400000000, 0.0001645100000000, -0.0013949300000000 ] - [ -0.0001144300000000, 0.0000000000000000, -0.0012698400000000 ] - [ -0.0000528400000000, -0.0001150200000000, -0.0011420900000000 ] - [ 0.0002415300000000, 0.0000000000000000, -0.0019949200000000 ] - [ -0.0001989100000000, -0.0001639000000000, -0.0014281100000000 ] - [ 0.0002963400000000, 0.0000000000000000, -0.0013576600000000 ] - [ -0.0000528400000000, 0.0001150200000000, -0.0011420900000000 ] - [ 0.0003296200000000, 0.0000000000000000, -0.0014177600000000 ] - [ -0.0000011600000000, 0.0001716100000000, -0.0013401600000000 ] - [ 0.0001370900000000, 0.0000000000000000, -0.0018943000000000 ] - [ -0.0000865900000000, -0.0000916100000000, -0.0014374100000000 ] - [ 0.0005767800000000, 0.0000000000000000, -0.0016808400000000 ] - [ -0.0000011600000000, -0.0001716100000000, -0.0013401600000000 ] - [ 0.0004063300000000, 0.0000000000000000, -0.0013498600000000 ] - [ -0.0000369600000000, 0.0000697500000000, -0.0013503300000000 ] - [ -0.0004070100000000, 0.0000000000000000, -0.0017019500000000 ] - [ 0.0001234200000000, 0.0000000000000000, -0.0021480700000000 ] - [ 0.0001205000000000, 0.0001512400000000, -0.0018535400000000 ] - [ 0.0001205000000000, -0.0001512400000000, -0.0018535400000000 ]- atom: 24 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0007220000000000, 0.0000000000000000, -0.0016155100000000 ] - [ -0.0095981900000000, 0.0000000000000000, -0.0065055500000000 ] - [ 0.0019356200000000, 0.0000000000000000, -0.0023761500000000 ] - [ -0.0008809100000000, 0.0000000000000000, 0.0145340300000000 ] - [ -0.0002891500000000, 0.0000000000000000, -0.0016702800000000 ] - [ -0.0020024600000000, 0.0000000000000000, -0.0017890900000000 ] - [ -0.0000029200000000, 0.0000000000000000, -0.0014200700000000 ] - [ -0.0000283500000000, 0.0000000000000000, -0.0017534100000000 ] - [ -0.0004797400000000, 0.0000000000000000, -0.0013439800000000 ] - [ 0.0000241700000000, 0.0000000000000000, -0.0017378600000000 ] - [ -0.0004984500000000, 0.0000000000000000, -0.0009048500000000 ] - [ 0.0016778100000000, 0.0000000000000000, 0.0003676300000000 ] - [ -0.0007587000000000, 0.0000000000000000, 0.0014220700000000 ] - [ -0.0016227700000000, 0.0000000000000000, 0.0080208900000000 ] - [ 0.0001836700000000, 0.0000000000000000, -0.0013068500000000 ] - [ 0.0017120100000000, 0.0000000000000000, -0.0024837700000000 ] - [ 0.0000062800000000, 0.0000000000000000, -0.0013979300000000 ] - [ -0.0000879400000000, 0.0000000000000000, -0.0016203600000000 ] - [ 0.0002517600000000, 0.0000000000000000, -0.0016778000000000 ] - [ 0.0001093800000000, 0.0000000000000000, -0.0016418700000000 ] - [ 0.0029954300000000, 0.0000000000000000, -0.0014624100000000 ] - [ -0.0000285600000000, 0.0000000000000000, -0.0046686400000000 ] - [ 0.0083094200000000, 0.0117505800000000, -0.0106393500000000 ] - [ 0.0247300500000000, 0.0000000000000000, 0.1515145400000000 ] - [ 0.0083094200000000, -0.0117505800000000, -0.0106393500000000 ] - [ 0.0069242100000000, -0.0027587500000000, 0.0015908100000000 ] - [ -0.0000713400000000, 0.0000000000000000, -0.0024304000000000 ] - [ -0.0005820600000000, 0.0000000000000000, -0.0025939000000000 ] - [ -0.0109139000000000, -0.0045356700000000, -0.0020283500000000 ] - [ 0.0001706400000000, 0.0000000000000000, -0.0024403400000000 ] - [ 0.0043036400000000, 0.0000000000000000, 0.0109050700000000 ] - [ -0.0004236400000000, 0.0000389300000000, -0.0019758900000000 ] - [ 0.0003844100000000, -0.0002238900000000, -0.0026389300000000 ] - [ 0.0010911300000000, 0.0000000000000000, -0.0118622300000000 ] - [ 0.0000628700000000, 0.0001108900000000, -0.0022917500000000 ] - [ -0.0001624700000000, 0.0000000000000000, -0.0023641900000000 ] - [ 0.0000628700000000, -0.0001108900000000, -0.0022917500000000 ] - [ 0.0001530200000000, 0.0002437400000000, -0.0019673700000000 ] - [ -0.0001293000000000, -0.0001754500000000, -0.0027191100000000 ] - [ 0.0001012300000000, 0.0000000000000000, -0.0022624900000000 ] - [ -0.0024263100000000, 0.0000000000000000, -0.0021668500000000 ] - [ -0.0001556400000000, 0.0000000000000000, -0.0012765700000000 ] - [ -0.0018324300000000, -0.0002001900000000, 0.0014325700000000 ] - [ -0.0015917400000000, 0.0000000000000000, 0.0074458600000000 ] - [ -0.0018324300000000, 0.0002001900000000, 0.0014325700000000 ] - [ -0.0109139000000000, 0.0045356700000000, -0.0020283500000000 ] - [ 0.0002288400000000, 0.0000000000000000, -0.0022736700000000 ] - [ 0.0008079400000000, 0.0000000000000000, -0.0011527100000000 ] - [ 0.0069242100000000, 0.0027587500000000, 0.0015908100000000 ] - [ 0.0000766800000000, 0.0000000000000000, -0.0024028400000000 ] - [ -0.0049969200000000, 0.0000000000000000, 0.0106193700000000 ] - [ 0.0003844100000000, 0.0002238900000000, -0.0026389300000000 ] - [ -0.0004236400000000, -0.0000389300000000, -0.0019758900000000 ] - [ -0.0003810200000000, 0.0000000000000000, -0.0007034700000000 ] - [ 0.0001100400000000, 0.0000935300000000, -0.0022264600000000 ] - [ 0.0002243500000000, 0.0000000000000000, -0.0024489100000000 ] - [ 0.0001100400000000, -0.0000935300000000, -0.0022264600000000 ] - [ -0.0001293000000000, 0.0001754500000000, -0.0027191100000000 ] - [ 0.0001530200000000, -0.0002437400000000, -0.0019673700000000 ] - [ 0.0001369400000000, 0.0000000000000000, -0.0024775500000000 ] - [ 0.0024882100000000, -0.0020432900000000, 0.0044788600000000 ] - [ -0.0076454600000000, 0.0000000000000000, -0.0782423200000000 ] - [ -0.0008762000000000, -0.0004668400000000, -0.0002339400000000 ] - [ -0.0044784500000000, 0.0000000000000000, 0.0050894000000000 ] - [ 0.0006369000000000, 0.0000000000000000, -0.0030143700000000 ] - [ -0.0133409600000000, 0.0274842600000000, -0.0198888000000000 ] - [ -0.0011215300000000, 0.0000000000000000, 0.0001517400000000 ] - [ -0.0053625400000000, 0.0017917900000000, -0.0049844600000000 ] - [ 0.0011963200000000, 0.0000000000000000, 0.0015628400000000 ] - [ -0.0133409600000000, -0.0274842600000000, -0.0198888000000000 ] - [ 0.0090267000000000, 0.0000000000000000, -0.0126221400000000 ] - [ -0.0053625400000000, -0.0017917900000000, -0.0049844600000000 ] - [ 0.0040160400000000, 0.0000000000000000, 0.0037169200000000 ] - [ 0.0006900700000000, -0.0000437500000000, 0.0015406500000000 ] - [ 0.0041962300000000, 0.0000000000000000, -0.0057851100000000 ] - [ 0.0011807500000000, 0.0003317100000000, -0.0001198000000000 ] - [ -0.0001383900000000, 0.0000000000000000, 0.0019796000000000 ] - [ -0.0005052500000000, 0.0000918800000000, 0.0012042700000000 ] - [ -0.0001890000000000, 0.0000000000000000, 0.0019440400000000 ] - [ -0.0031242400000000, 0.0017726400000000, 0.0027165400000000 ] - [ -0.0001709900000000, 0.0000000000000000, 0.0014019100000000 ] - [ 0.0001435600000000, -0.0001346700000000, 0.0013586400000000 ] - [ -0.0002803300000000, 0.0000000000000000, 0.0031419800000000 ] - [ 0.0003073400000000, 0.0001965000000000, 0.0016440500000000 ] - [ 0.0000708300000000, 0.0000000000000000, 0.0019568900000000 ] - [ 0.0001641500000000, 0.0001349900000000, 0.0013248100000000 ] - [ -0.0002194200000000, 0.0000000000000000, 0.0014982900000000 ] - [ 0.0003073400000000, -0.0001965000000000, 0.0016440500000000 ] - [ -0.0001693100000000, 0.0000000000000000, 0.0014352100000000 ] - [ 0.0003641600000000, -0.0001604100000000, 0.0014573500000000 ] - [ -0.0000335800000000, 0.0000000000000000, 0.0020269400000000 ] - [ 0.0002618500000000, 0.0001897200000000, 0.0013084100000000 ] - [ 0.0003876500000000, 0.0000000000000000, 0.0026164800000000 ] - [ 0.0003641600000000, 0.0001604100000000, 0.0014573500000000 ] - [ -0.0001331600000000, 0.0000000000000000, 0.0015507500000000 ] - [ 0.0003112000000000, -0.0002114300000000, 0.0013959100000000 ] - [ -0.0003989400000000, 0.0000000000000000, 0.0011753400000000 ] - [ -0.0000429200000000, 0.0000000000000000, 0.0017351100000000 ] - [ 0.0002997200000000, 0.0000515400000000, 0.0009757300000000 ] - [ 0.0002997200000000, -0.0000515400000000, 0.0009757300000000 ] - [ -0.0008762000000000, 0.0004668400000000, -0.0002339400000000 ] - [ 0.0003501300000000, 0.0000000000000000, -0.0040151200000000 ] - [ 0.0024882100000000, 0.0020432900000000, 0.0044788600000000 ] - [ 0.0015872400000000, 0.0000000000000000, -0.0000650800000000 ] - [ -0.0002682000000000, 0.0000000000000000, -0.0047372200000000 ] - [ -0.0007712900000000, 0.0007040400000000, -0.0031111500000000 ] - [ 0.0013344600000000, 0.0000000000000000, -0.0001905700000000 ] - [ 0.0047226300000000, -0.0018071900000000, -0.0023831000000000 ] - [ -0.0011748300000000, 0.0000000000000000, -0.0006490900000000 ] - [ -0.0007712900000000, -0.0007040400000000, -0.0031111500000000 ] - [ 0.0045690100000000, 0.0000000000000000, -0.0039444400000000 ] - [ 0.0047226300000000, 0.0018071900000000, -0.0023831000000000 ] - [ -0.0012250300000000, 0.0000000000000000, -0.0006050400000000 ] - [ -0.0005052500000000, -0.0000918800000000, 0.0012042700000000 ] - [ -0.0025446100000000, 0.0000000000000000, -0.0068539200000000 ] - [ -0.0031242400000000, -0.0017726400000000, 0.0027165400000000 ] - [ 0.0001062300000000, 0.0000000000000000, 0.0019359900000000 ] - [ 0.0006900700000000, 0.0000437500000000, 0.0015406500000000 ] - [ -0.0000183600000000, 0.0000000000000000, 0.0009190400000000 ] - [ 0.0011807500000000, -0.0003317100000000, -0.0001198000000000 ] - [ -0.0005289400000000, 0.0000000000000000, 0.0015473500000000 ] - [ 0.0001641500000000, -0.0001349900000000, 0.0013248100000000 ] - [ -0.0000427100000000, 0.0000000000000000, 0.0011072400000000 ] - [ 0.0001273000000000, 0.0001174000000000, 0.0013473300000000 ] - [ 0.0000206700000000, 0.0000000000000000, 0.0019346100000000 ] - [ 0.0001435600000000, 0.0001346700000000, 0.0013586400000000 ] - [ -0.0002725900000000, 0.0000000000000000, 0.0014386100000000 ] - [ 0.0001273000000000, -0.0001174000000000, 0.0013473300000000 ] - [ -0.0002486300000000, 0.0000000000000000, 0.0014377700000000 ] - [ 0.0000406400000000, -0.0001351900000000, 0.0013399900000000 ] - [ -0.0000861500000000, 0.0000000000000000, 0.0019287500000000 ] - [ 0.0003112000000000, 0.0002114300000000, 0.0013959100000000 ] - [ -0.0006098200000000, 0.0000000000000000, 0.0019320600000000 ] - [ 0.0000406400000000, 0.0001351900000000, 0.0013399900000000 ] - [ -0.0000851400000000, 0.0000000000000000, 0.0012704500000000 ] - [ 0.0002618500000000, -0.0001897200000000, 0.0013084100000000 ] - [ 0.0003858400000000, 0.0000000000000000, 0.0019254300000000 ] - [ -0.0000880300000000, 0.0000000000000000, 0.0021289700000000 ] - [ -0.0000226200000000, -0.0000978900000000, 0.0019113900000000 ] - [ -0.0000226200000000, 0.0000978900000000, 0.0019113900000000 ]- atom: 26 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0002007700000000, -0.0000065300000000, -0.0001886300000000 ] - [ -0.0006742400000000, 0.0003763800000000, -0.0008220200000000 ] - [ 0.0165021300000000, 0.0132436600000000, -0.0019451900000000 ] - [ 0.0030502100000000, 0.0007602800000000, -0.0009449600000000 ] - [ 0.0014456000000000, 0.0000856600000000, 0.0005121100000000 ] - [ 0.0031749200000000, 0.0007742700000000, -0.0010250400000000 ] - [ 0.0001356400000000, 0.0000033600000000, 0.0000323400000000 ] - [ -0.0001737700000000, 0.0000330200000000, 0.0003433900000000 ] - [ -0.0001280800000000, 0.0000041200000000, 0.0000360600000000 ] - [ 0.0001203400000000, 0.0000015200000000, 0.0000249900000000 ] - [ -0.0001321000000000, -0.0000146800000000, 0.0000076100000000 ] - [ 0.0013652700000000, 0.0000779500000000, 0.0005096000000000 ] - [ 0.0166573000000000, 0.0134066000000000, -0.0019198800000000 ] - [ -0.0097166800000000, 0.0073765600000000, 0.0076008800000000 ] - [ -0.0006178900000000, 0.0003749500000000, -0.0007906300000000 ] - [ -0.0095139800000000, 0.0073413800000000, 0.0075335400000000 ] - [ -0.0000660100000000, 0.0000038600000000, 0.0000821500000000 ] - [ 0.0001080100000000, 0.0000318600000000, -0.0002377100000000 ] - [ 0.0000979900000000, 0.0000040300000000, -0.0000368900000000 ] - [ 0.0001243400000000, 0.0000015700000000, 0.0000264000000000 ] - [ 0.0007833700000000, -0.0000662600000000, 0.0002768400000000 ] - [ 0.0002124000000000, 0.0000450000000000, -0.0003174600000000 ] - [ 0.0011678200000000, -0.0001250700000000, -0.0012129900000000 ] - [ 0.0088121600000000, -0.0048926000000000, -0.0082236900000000 ] - [ 0.0012987900000000, 0.0001229700000000, -0.0010663800000000 ] - [ -0.1697187200000000, -0.0263093800000000, -0.0157822800000000 ] - [ 0.0007697400000000, -0.0000776800000000, 0.0003722500000000 ] - [ 0.0034434100000000, 0.0004060700000000, 0.0013690300000000 ] - [ 0.0097184600000000, 0.0007692300000000, 0.0002477100000000 ] - [ -0.0001846100000000, -0.0000139900000000, 0.0000743700000000 ] - [ 0.0033624400000000, 0.0004185300000000, 0.0013657200000000 ] - [ 0.0011938300000000, -0.0000126100000000, -0.0012381500000000 ] - [ -0.0018398700000000, 0.0005825200000000, 0.0024352700000000 ] - [ 0.0111571400000000, -0.0127837900000000, 0.0094614100000000 ] - [ 0.0001109100000000, -0.0000480400000000, 0.0001391900000000 ] - [ -0.0001108200000000, -0.0000016200000000, 0.0000846200000000 ] - [ 0.0001187300000000, 0.0000476300000000, 0.0001478300000000 ] - [ 0.0000170100000000, 0.0000077900000000, 0.0001253300000000 ] - [ 0.0000142300000000, 0.0000018300000000, -0.0000813400000000 ] - [ -0.0000144000000000, -0.0000012100000000, 0.0000855700000000 ] - [ -0.0005355100000000, -0.0000798200000000, -0.0002547700000000 ] - [ -0.0001422500000000, 0.0000465200000000, 0.0005149100000000 ] - [ -0.0025586500000000, -0.0007270800000000, 0.0012456900000000 ] - [ 0.0109149100000000, -0.0126905700000000, 0.0094947800000000 ] - [ -0.0018327600000000, 0.0007222500000000, 0.0024101400000000 ] - [ 0.0060833100000000, -0.0008548500000000, -0.0012665400000000 ] - [ -0.0006019700000000, -0.0000966800000000, -0.0002475300000000 ] - [ -0.0034070600000000, -0.0007866700000000, -0.0080237200000000 ] - [ -0.0245377100000000, -0.0014922100000000, 0.0104874200000000 ] - [ 0.0002895100000000, -0.0000039200000000, -0.0001916300000000 ] - [ -0.0035766900000000, -0.0007984600000000, -0.0080947500000000 ] - [ -0.0025686500000000, -0.0006066200000000, 0.0012931700000000 ] - [ 0.0013351000000000, 0.0000096600000000, -0.0010879500000000 ] - [ 0.0090262600000000, -0.0051064900000000, -0.0083577400000000 ] - [ 0.0001315900000000, -0.0000092500000000, -0.0000488400000000 ] - [ 0.0000290100000000, -0.0000020900000000, 0.0000268400000000 ] - [ 0.0001375700000000, 0.0000091200000000, -0.0000433400000000 ] - [ 0.0000060600000000, -0.0000016300000000, -0.0000869100000000 ] - [ 0.0000263900000000, -0.0000077600000000, 0.0001330700000000 ] - [ 0.0001096700000000, -0.0000015800000000, 0.0000174100000000 ] - [ 0.0003389300000000, 0.0000398400000000, 0.0004142000000000 ] - [ -0.0007322300000000, 0.0000272800000000, 0.0025771100000000 ] - [ -0.0004419200000000, -0.0003161500000000, -0.0007060900000000 ] - [ -0.0006886400000000, 0.0000063700000000, 0.0003379200000000 ] - [ -0.0003039800000000, -0.0012032300000000, -0.0031176400000000 ] - [ -0.0036554300000000, 0.0004340100000000, 0.0004307400000000 ] - [ -0.0004565400000000, -0.0000088300000000, 0.0001588000000000 ] - [ -0.0016371400000000, -0.0001771100000000, -0.0002416800000000 ] - [ -0.0047522100000000, -0.0009241900000000, -0.0000628900000000 ] - [ -0.0069200800000000, -0.0004365400000000, 0.0024066500000000 ] - [ 0.0161303500000000, -0.0095957100000000, -0.0086962800000000 ] - [ -0.0018400300000000, 0.0001275100000000, 0.0000124600000000 ] - [ -0.0066451200000000, 0.0010205100000000, 0.0007103200000000 ] - [ -0.0017855100000000, 0.0000545400000000, -0.0000171300000000 ] - [ -0.0046048700000000, -0.0009298900000000, -0.0002014900000000 ] - [ -0.0069323400000000, -0.0003258200000000, 0.0023941500000000 ] - [ 0.0006860400000000, -0.0001175700000000, 0.0000369400000000 ] - [ 0.0038929600000000, 0.0005415400000000, -0.0001592800000000 ] - [ -0.0002202400000000, -0.0011780800000000, -0.0030369200000000 ] - [ 0.0402966900000000, 0.0051304400000000, 0.0212571400000000 ] - [ -0.0007472100000000, 0.0000070500000000, 0.0003604300000000 ] - [ 0.0000585400000000, 0.0000006800000000, -0.0001375500000000 ] - [ -0.0004147500000000, 0.0012911000000000, -0.0050936800000000 ] - [ -0.0004002700000000, -0.0001947500000000, -0.0005890900000000 ] - [ 0.0001537800000000, -0.0000010600000000, -0.0001124000000000 ] - [ -0.0000860100000000, -0.0000115100000000, 0.0000213000000000 ] - [ -0.0001074900000000, -0.0000098400000000, -0.0000925900000000 ] - [ -0.0004990300000000, 0.0002388100000000, -0.0007938000000000 ] - [ 0.0000870900000000, 0.0000009900000000, -0.0000651300000000 ] - [ 0.0000582700000000, 0.0000179200000000, -0.0000252200000000 ] - [ -0.0000692700000000, 0.0000107900000000, -0.0002348600000000 ] - [ 0.0001413800000000, 0.0000577700000000, -0.0000475400000000 ] - [ 0.0000898800000000, 0.0000039300000000, 0.0001826900000000 ] - [ 0.0000573400000000, -0.0000178700000000, -0.0000235700000000 ] - [ 0.0001403400000000, 0.0000010000000000, -0.0000395300000000 ] - [ 0.0000671100000000, -0.0000426900000000, -0.0000760800000000 ] - [ -0.0001244600000000, -0.0000095300000000, -0.0000513600000000 ] - [ 0.0000438000000000, -0.0000013400000000, -0.0001038200000000 ] - [ 0.0001354800000000, 0.0000391900000000, -0.0001140300000000 ] - [ 0.0001328900000000, -0.0000396000000000, -0.0000926800000000 ] - [ -0.0005327000000000, 0.0003433400000000, -0.0009124400000000 ] - [ -0.0003775800000000, 0.0012713300000000, -0.0048218300000000 ] - [ 0.0002281800000000, -0.0000622700000000, 0.0005707700000000 ] - [ 0.0008100700000000, 0.0000802300000000, -0.0003319200000000 ] - [ -0.0012609900000000, -0.0000299600000000, 0.0019336500000000 ] - [ 0.0404922500000000, 0.0052850600000000, 0.0219367900000000 ] - [ 0.0007442500000000, -0.0001347100000000, -0.0000578300000000 ] - [ 0.0038734800000000, 0.0004920700000000, -0.0000488900000000 ] - [ 0.0196717200000000, 0.0149755800000000, -0.0092937300000000 ] - [ 0.0035677400000000, 0.0005005800000000, -0.0020018400000000 ] - [ -0.0066426400000000, 0.0010464700000000, 0.0007738000000000 ] - [ 0.0030865000000000, -0.0007474600000000, 0.0023800800000000 ] - [ 0.0163360100000000, -0.0104306100000000, -0.0093338900000000 ] - [ 0.0031123800000000, -0.0007855000000000, 0.0022553900000000 ] - [ 0.0196193400000000, 0.0143317400000000, -0.0090370300000000 ] - [ 0.0036684100000000, 0.0005801000000000, -0.0020185200000000 ] - [ -0.0004464900000000, -0.0000079300000000, 0.0002958900000000 ] - [ -0.0015899700000000, -0.0001025600000000, -0.0002766200000000 ] - [ -0.0011816400000000, -0.0000335400000000, 0.0019849400000000 ] - [ -0.0035653100000000, 0.0003185600000000, 0.0004189900000000 ] - [ 0.0007434300000000, 0.0000943100000000, -0.0003005200000000 ] - [ -0.0000934500000000, 0.0000106200000000, 0.0000366400000000 ] - [ -0.0007090600000000, 0.0000343800000000, 0.0023882200000000 ] - [ 0.0002985600000000, 0.0000944500000000, 0.0006620500000000 ] - [ 0.0001132100000000, -0.0000005000000000, -0.0000466200000000 ] - [ 0.0000587000000000, -0.0000051000000000, -0.0001596400000000 ] - [ 0.0001104200000000, -0.0000045500000000, 0.0000902900000000 ] - [ 0.0004102500000000, -0.0000929800000000, 0.0005060800000000 ] - [ 0.0000174400000000, 0.0000004600000000, 0.0000073100000000 ] - [ -0.0000293800000000, 0.0000251500000000, -0.0000540100000000 ] - [ 0.0001187600000000, 0.0000047900000000, 0.0000965900000000 ] - [ 0.0000675900000000, 0.0000432200000000, -0.0000722300000000 ] - [ -0.0001291100000000, 0.0000096600000000, -0.0000889200000000 ] - [ -0.0000304000000000, -0.0000247600000000, -0.0000508800000000 ] - [ 0.0001979100000000, 0.0000014200000000, -0.0001161800000000 ] - [ 0.0001418900000000, -0.0000576000000000, -0.0000503000000000 ] - [ 0.0000808900000000, -0.0000055200000000, 0.0001864900000000 ] - [ 0.0000022300000000, -0.0000008900000000, -0.0000107800000000 ] - [ -0.0000100600000000, 0.0000218500000000, 0.0000966700000000 ] - [ -0.0000188500000000, -0.0000199300000000, 0.0001147900000000 ]- atom: 26 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0001360000000000, -0.0000007500000000, 0.0000343400000000 ] - [ 0.0005255600000000, -0.0003745900000000, 0.0007851300000000 ] - [ -0.0168094200000000, -0.0134486300000000, 0.0019269300000000 ] - [ -0.0032474400000000, -0.0007731800000000, 0.0010545500000000 ] - [ -0.0014586100000000, -0.0000851100000000, -0.0005478700000000 ] - [ -0.0031049700000000, -0.0007604600000000, 0.0009975300000000 ] - [ -0.0000913700000000, -0.0000031500000000, 0.0000057800000000 ] - [ 0.0001788500000000, -0.0000329100000000, -0.0004039300000000 ] - [ 0.0000829100000000, -0.0000053400000000, -0.0001106900000000 ] - [ 0.0001240500000000, -0.0000012300000000, -0.0000692200000000 ] - [ 0.0001964900000000, 0.0000072000000000, -0.0001639400000000 ] - [ -0.0015192800000000, -0.0000775300000000, -0.0005387700000000 ] - [ -0.0165834500000000, -0.0131991400000000, 0.0019003100000000 ] - [ 0.0094604300000000, -0.0073786200000000, -0.0075129600000000 ] - [ 0.0006006700000000, -0.0003753300000000, 0.0007632300000000 ] - [ 0.0096424900000000, -0.0073378000000000, -0.0075395500000000 ] - [ 0.0001104400000000, -0.0000039600000000, -0.0000434400000000 ] - [ -0.0001058100000000, -0.0000316900000000, 0.0001765300000000 ] - [ -0.0001432300000000, -0.0000051700000000, -0.0000374600000000 ] - [ 0.0001199900000000, -0.0000013500000000, -0.0000705100000000 ] - [ -0.0006667500000000, 0.0000663900000000, -0.0003093900000000 ] - [ -0.0000454500000000, -0.0000447400000000, 0.0003135500000000 ] - [ -0.0011260500000000, -0.0001779300000000, 0.0011888400000000 ] - [ -0.0091143300000000, 0.0049770500000000, 0.0084239100000000 ] - [ -0.0012578200000000, 0.0001803000000000, 0.0010444600000000 ] - [ 0.1696623800000000, 0.0265095000000000, 0.0158363700000000 ] - [ -0.0007682700000000, 0.0000776700000000, -0.0003318100000000 ] - [ -0.0035227500000000, -0.0004046300000000, -0.0013292800000000 ] - [ -0.0097874900000000, -0.0009490400000000, -0.0002682400000000 ] - [ 0.0002893900000000, 0.0000140200000000, -0.0001982100000000 ] - [ -0.0037094200000000, -0.0004201400000000, -0.0013417000000000 ] - [ -0.0011540700000000, -0.0000691000000000, 0.0012098500000000 ] - [ 0.0018928800000000, -0.0005006200000000, -0.0024605000000000 ] - [ -0.0113425200000000, 0.0128341400000000, -0.0094958300000000 ] - [ 0.0001617800000000, 0.0000201100000000, -0.0001750100000000 ] - [ 0.0000309300000000, 0.0000013900000000, -0.0000987600000000 ] - [ 0.0001540000000000, -0.0000196000000000, -0.0001852200000000 ] - [ 0.0000307100000000, 0.0000143800000000, -0.0002073800000000 ] - [ 0.0000344500000000, -0.0000235800000000, -0.0000023500000000 ] - [ 0.0001099800000000, 0.0000015800000000, -0.0001113200000000 ] - [ 0.0006547700000000, 0.0000800600000000, 0.0002195200000000 ] - [ 0.0003061200000000, -0.0000461600000000, -0.0005192400000000 ] - [ 0.0025863600000000, 0.0004240800000000, -0.0012731000000000 ] - [ -0.0111674900000000, 0.0126415900000000, -0.0092755000000000 ] - [ 0.0018610400000000, -0.0004199400000000, -0.0024345500000000 ] - [ -0.0061527900000000, 0.0010348600000000, 0.0012461100000000 ] - [ 0.0006013000000000, 0.0000967800000000, 0.0002914100000000 ] - [ 0.0033021800000000, 0.0007902400000000, 0.0081141200000000 ] - [ 0.0244690500000000, 0.0013124900000000, -0.0105082800000000 ] - [ -0.0001851600000000, 0.0000038100000000, 0.0000648600000000 ] - [ 0.0032548000000000, 0.0007949800000000, 0.0080675900000000 ] - [ 0.0026226600000000, 0.0005250900000000, -0.0013180100000000 ] - [ -0.0012942100000000, 0.0000721900000000, 0.0010613100000000 ] - [ -0.0091581500000000, 0.0050202800000000, 0.0083421300000000 ] - [ 0.0001402100000000, -0.0000189600000000, 0.0000131000000000 ] - [ -0.0001093400000000, 0.0000019900000000, -0.0000408500000000 ] - [ 0.0001341800000000, 0.0000191900000000, 0.0000058300000000 ] - [ 0.0000392400000000, 0.0000235100000000, 0.0000055600000000 ] - [ 0.0000215600000000, -0.0000143000000000, -0.0002164000000000 ] - [ -0.0000146700000000, 0.0000016900000000, -0.0000433700000000 ] - [ -0.0003920300000000, 0.0002314900000000, -0.0004229400000000 ] - [ 0.0005206300000000, -0.0000300300000000, -0.0022938200000000 ] - [ 0.0003914300000000, 0.0000446700000000, 0.0006936700000000 ] - [ 0.0006321300000000, -0.0000062600000000, -0.0003613700000000 ] - [ 0.0001577800000000, 0.0012048200000000, 0.0030368900000000 ] - [ 0.0035138400000000, -0.0004524400000000, -0.0003505900000000 ] - [ 0.0006042100000000, 0.0000090200000000, -0.0004000300000000 ] - [ 0.0015223800000000, 0.0001751100000000, 0.0002106700000000 ] - [ 0.0044480300000000, 0.0009317700000000, 0.0002314700000000 ] - [ 0.0068451700000000, 0.0004561700000000, -0.0023532200000000 ] - [ -0.0161765400000000, 0.0097881800000000, 0.0088760900000000 ] - [ 0.0017284800000000, -0.0001252900000000, -0.0000490600000000 ] - [ 0.0065782200000000, -0.0010289800000000, -0.0007618600000000 ] - [ 0.0017674100000000, -0.0001834100000000, -0.0001061100000000 ] - [ 0.0045625400000000, 0.0009223600000000, 0.0000863200000000 ] - [ 0.0069004100000000, 0.0005503500000000, -0.0023257900000000 ] - [ -0.0005602300000000, 0.0001181100000000, -0.0000148600000000 ] - [ -0.0039218100000000, -0.0004166300000000, 0.0000155500000000 ] - [ 0.0001769300000000, 0.0011765900000000, 0.0030933800000000 ] - [ -0.0423227700000000, -0.0055611300000000, -0.0229405100000000 ] - [ 0.0005826400000000, -0.0000069500000000, -0.0003214600000000 ] - [ -0.0001117200000000, 0.0000229200000000, 0.0000696200000000 ] - [ 0.0002551200000000, -0.0012893700000000, 0.0049408600000000 ] - [ 0.0004720600000000, 0.0001926200000000, 0.0007966600000000 ] - [ 0.0001072600000000, 0.0000011400000000, 0.0000510800000000 ] - [ 0.0000336400000000, -0.0000116600000000, -0.0000904800000000 ] - [ 0.0001282400000000, 0.0000100100000000, 0.0001737600000000 ] - [ 0.0005704400000000, -0.0002365800000000, 0.0009984400000000 ] - [ -0.0000004300000000, -0.0000009500000000, 0.0000854500000000 ] - [ -0.0000201700000000, 0.0000147100000000, 0.0000269100000000 ] - [ 0.0001221700000000, -0.0000106300000000, 0.0002739500000000 ] - [ 0.0000807500000000, 0.0000531300000000, 0.0000050100000000 ] - [ -0.0001259300000000, -0.0000039300000000, 0.0000682800000000 ] - [ -0.0000192200000000, -0.0000147100000000, 0.0000244300000000 ] - [ 0.0001843100000000, -0.0000008000000000, -0.0000408200000000 ] - [ 0.0001545100000000, -0.0000675500000000, 0.0000314400000000 ] - [ 0.0001014700000000, 0.0000094500000000, 0.0002753000000000 ] - [ -0.0000039700000000, 0.0000013800000000, 0.0000868100000000 ] - [ -0.0000325000000000, 0.0000129400000000, 0.0001726700000000 ] - [ -0.0000305300000000, -0.0000124600000000, 0.0001488000000000 ] - [ 0.0004826100000000, -0.0000717800000000, 0.0009021800000000 ] - [ 0.0001791400000000, -0.0012726500000000, 0.0051012900000000 ] - [ -0.0002820100000000, -0.0002090900000000, -0.0005811800000000 ] - [ -0.0008640200000000, -0.0000797000000000, 0.0003120400000000 ] - [ 0.0010944700000000, 0.0000335800000000, -0.0020081100000000 ] - [ -0.0386419700000000, -0.0051121300000000, -0.0201770200000000 ] - [ -0.0005936000000000, 0.0001342000000000, -0.0001785000000000 ] - [ -0.0039750900000000, -0.0004908500000000, 0.0000316300000000 ] - [ -0.0199206100000000, -0.0145672800000000, 0.0091574800000000 ] - [ -0.0036662600000000, -0.0004838100000000, 0.0020930300000000 ] - [ 0.0065571800000000, -0.0010379500000000, -0.0007641500000000 ] - [ -0.0031892900000000, 0.0007450900000000, -0.0023941500000000 ] - [ -0.0164495800000000, 0.0102323900000000, 0.0091102600000000 ] - [ -0.0031397900000000, 0.0006620400000000, -0.0024016000000000 ] - [ -0.0197185500000000, -0.0147392100000000, 0.0092284900000000 ] - [ -0.0036761800000000, -0.0003528300000000, 0.0020496000000000 ] - [ 0.0005747400000000, 0.0000079600000000, -0.0002683000000000 ] - [ 0.0015750000000000, 0.0002312900000000, 0.0001474300000000 ] - [ 0.0011595500000000, 0.0000301100000000, -0.0019346200000000 ] - [ 0.0036005000000000, -0.0005436700000000, -0.0003769200000000 ] - [ -0.0009110200000000, -0.0000946400000000, 0.0003363600000000 ] - [ 0.0000411000000000, 0.0000126300000000, -0.0001038200000000 ] - [ 0.0005629800000000, -0.0000313000000000, -0.0025447200000000 ] - [ -0.0002231200000000, -0.0000965900000000, -0.0004560400000000 ] - [ 0.0001479500000000, 0.0000005700000000, -0.0000146800000000 ] - [ -0.0001119000000000, -0.0000183600000000, 0.0000898500000000 ] - [ -0.0000889900000000, 0.0000046600000000, -0.0000099900000000 ] - [ -0.0003353800000000, 0.0000954800000000, -0.0003025700000000 ] - [ 0.0000699800000000, -0.0000004400000000, 0.0000128500000000 ] - [ 0.0000684400000000, 0.0000076800000000, 0.0000553600000000 ] - [ -0.0000652100000000, -0.0000046300000000, -0.0000588800000000 ] - [ 0.0001541500000000, 0.0000671500000000, 0.0000299300000000 ] - [ 0.0000936000000000, -0.0000095700000000, 0.0003392900000000 ] - [ 0.0000686700000000, -0.0000078500000000, 0.0000516700000000 ] - [ 0.0001271600000000, -0.0000011600000000, 0.0000359200000000 ] - [ 0.0000801200000000, -0.0000531200000000, 0.0000055100000000 ] - [ -0.0001046900000000, 0.0000055400000000, 0.0000381600000000 ] - [ 0.0000373300000000, 0.0000009900000000, -0.0000059200000000 ] - [ 0.0001122700000000, 0.0000302500000000, -0.0000386800000000 ] - [ 0.0001204400000000, -0.0000320300000000, -0.0000592600000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000083300000000, -0.0000038100000000, -0.0002049900000000 ] - [ 0.0008841600000000, 0.0000018900000000, 0.0003238700000000 ] - [ 0.0120810600000000, 0.0025725100000000, 0.0033965600000000 ] - [ 0.0005220400000000, 0.0000092900000000, 0.0008919600000000 ] - [ 0.0000643000000000, 0.0000060100000000, 0.0000697700000000 ] - [ 0.0006501600000000, 0.0000068600000000, 0.0008468600000000 ] - [ 0.0000334900000000, 0.0000001900000000, -0.0000230000000000 ] - [ -0.0000284400000000, 0.0000024400000000, -0.0000682100000000 ] - [ -0.0000064500000000, -0.0000005100000000, -0.0001044500000000 ] - [ 0.0001207000000000, 0.0000001200000000, -0.0000872100000000 ] - [ 0.0000381600000000, -0.0000043200000000, -0.0002615000000000 ] - [ 0.0000166900000000, 0.0000051700000000, 0.0000659500000000 ] - [ 0.0121434700000000, 0.0025112000000000, 0.0033902800000000 ] - [ 0.0071754200000000, 0.0025592900000000, 0.0106362500000000 ] - [ 0.0009315900000000, 0.0000030700000000, 0.0003382400000000 ] - [ 0.0072507600000000, 0.0025656300000000, 0.0104475300000000 ] - [ 0.0000435000000000, 0.0000000900000000, -0.0000482400000000 ] - [ 0.0000923900000000, 0.0000008500000000, -0.0000163800000000 ] - [ -0.0000154200000000, -0.0000004100000000, -0.0000838600000000 ] - [ 0.0001219600000000, 0.0000001000000000, -0.0000880600000000 ] - [ -0.0001172600000000, -0.0000045800000000, -0.0000856800000000 ] - [ 0.0001997200000000, 0.0000012200000000, -0.0000140000000000 ] - [ 0.0000318400000000, -0.0016005900000000, 0.0000037900000000 ] - [ -0.0115652600000000, 0.0004005600000000, 0.0046070100000000 ] - [ 0.0000343200000000, 0.0015939500000000, 0.0000084900000000 ] - [ -0.0264463200000000, -0.2009132700000000, -0.0170789300000000 ] - [ -0.0001849800000000, -0.0000060400000000, -0.0000200200000000 ] - [ -0.0005269900000000, 0.0000120300000000, 0.0000296500000000 ] - [ -0.0008930100000000, 0.0005274600000000, -0.0007227800000000 ] - [ 0.0000589600000000, -0.0000006500000000, -0.0003147800000000 ] - [ -0.0006536800000000, 0.0000067000000000, 0.0000041000000000 ] - [ 0.0000477100000000, -0.0014850900000000, 0.0000460100000000 ] - [ -0.0005137300000000, 0.0003709300000000, -0.0002248300000000 ] - [ -0.0057244300000000, 0.0005232400000000, -0.0036557800000000 ] - [ 0.0001022400000000, -0.0000395600000000, -0.0001111300000000 ] - [ -0.0000401800000000, -0.0000002900000000, -0.0001189200000000 ] - [ 0.0001027700000000, 0.0000397500000000, -0.0001111900000000 ] - [ -0.0000002500000000, -0.0000086100000000, -0.0001400200000000 ] - [ 0.0000308700000000, 0.0000026200000000, -0.0001341400000000 ] - [ 0.0000498300000000, -0.0000001800000000, -0.0001213100000000 ] - [ 0.0000873700000000, -0.0000018800000000, -0.0002661800000000 ] - [ 0.0000472800000000, 0.0000025900000000, -0.0001031200000000 ] - [ -0.0005450800000000, -0.0005129800000000, -0.0002672300000000 ] - [ -0.0056792800000000, 0.0005864300000000, -0.0035934100000000 ] - [ -0.0005242100000000, 0.0005140800000000, -0.0002323300000000 ] - [ -0.0009788200000000, -0.0005236300000000, -0.0007439600000000 ] - [ 0.0000251200000000, -0.0000024800000000, -0.0002382000000000 ] - [ 0.0003947800000000, 0.0004520200000000, -0.0121898300000000 ] - [ 0.0013656500000000, 0.0751243400000000, 0.0011203700000000 ] - [ 0.0000270100000000, 0.0000003100000000, -0.0002239200000000 ] - [ 0.0002744700000000, 0.0004628300000000, -0.0122228900000000 ] - [ -0.0005382500000000, -0.0003699800000000, -0.0002647500000000 ] - [ 0.0000505700000000, 0.0014786400000000, 0.0000473500000000 ] - [ -0.0115744800000000, 0.0004393200000000, 0.0046292600000000 ] - [ 0.0001420900000000, -0.0000335600000000, -0.0001084900000000 ] - [ -0.0000412900000000, -0.0000001600000000, -0.0001046100000000 ] - [ 0.0001422300000000, 0.0000344700000000, -0.0001091500000000 ] - [ 0.0000306000000000, -0.0000016100000000, -0.0001336800000000 ] - [ 0.0000002500000000, 0.0000088400000000, -0.0001401900000000 ] - [ 0.0000491300000000, -0.0000001600000000, -0.0001059900000000 ] - [ -0.0001814500000000, 0.0003691700000000, -0.0000002100000000 ] - [ 0.0010903100000000, 0.0000609100000000, -0.0028073900000000 ] - [ 0.0000429400000000, -0.0001592400000000, 0.0000307800000000 ] - [ 0.0002175200000000, -0.0000015600000000, -0.0003193000000000 ] - [ 0.0001425000000000, 0.0000393000000000, 0.0000620200000000 ] - [ 0.0005803500000000, -0.0026025900000000, 0.0003548600000000 ] - [ -0.0001455800000000, -0.0000015200000000, 0.0002325700000000 ] - [ -0.0000436900000000, -0.0001818200000000, -0.0001404200000000 ] - [ 0.0001026800000000, 0.0000204600000000, 0.0001630500000000 ] - [ 0.0005043600000000, 0.0024922300000000, 0.0003250700000000 ] - [ -0.0101643200000000, 0.0261897100000000, 0.0199480100000000 ] - [ -0.0000540000000000, 0.0001843600000000, -0.0001419400000000 ] - [ 0.0000372000000000, 0.0001599100000000, 0.0000698300000000 ] - [ -0.0000019500000000, 0.0001233200000000, -0.0001999500000000 ] - [ 0.0002377500000000, 0.0000318800000000, 0.0000315700000000 ] - [ 0.0005694500000000, 0.0025990700000000, 0.0002649300000000 ] - [ 0.0001619400000000, -0.0000067100000000, 0.0005164000000000 ] - [ 0.0004080300000000, 0.0025753300000000, 0.0002667700000000 ] - [ 0.0001949500000000, 0.0000295800000000, 0.0001172100000000 ] - [ 0.0041774800000000, 0.0095420400000000, 0.0028489400000000 ] - [ 0.0001715800000000, -0.0000016700000000, -0.0002840700000000 ] - [ 0.0000089900000000, -0.0000202600000000, 0.0000573600000000 ] - [ 0.0000339000000000, 0.0001672000000000, -0.0007076600000000 ] - [ 0.0001091600000000, -0.0000185200000000, 0.0001234500000000 ] - [ 0.0001301100000000, -0.0000000400000000, 0.0000671400000000 ] - [ -0.0000264300000000, 0.0000141500000000, 0.0000080900000000 ] - [ -0.0000117200000000, -0.0000007400000000, 0.0001166500000000 ] - [ 0.0001013300000000, 0.0000290500000000, 0.0001079700000000 ] - [ 0.0000428600000000, -0.0000000300000000, 0.0000688300000000 ] - [ 0.0000243200000000, 0.0000108900000000, 0.0000615200000000 ] - [ 0.0000591500000000, 0.0000011400000000, 0.0000250000000000 ] - [ 0.0001142700000000, 0.0000581900000000, 0.0000381400000000 ] - [ -0.0000341800000000, 0.0000002500000000, 0.0001763100000000 ] - [ 0.0000243100000000, -0.0000108700000000, 0.0000612700000000 ] - [ 0.0001495600000000, 0.0000000200000000, 0.0000137100000000 ] - [ 0.0001171000000000, -0.0000562900000000, 0.0000285500000000 ] - [ -0.0000191100000000, -0.0000004900000000, 0.0001965100000000 ] - [ 0.0000183200000000, 0.0000000800000000, 0.0000861500000000 ] - [ 0.0000755900000000, 0.0000412900000000, 0.0001184400000000 ] - [ 0.0000749900000000, -0.0000416300000000, 0.0001181500000000 ] - [ 0.0000368200000000, 0.0001677300000000, 0.0000187300000000 ] - [ 0.0000155100000000, 0.0001534200000000, -0.0004651100000000 ] - [ -0.0001812600000000, -0.0003667800000000, 0.0000041300000000 ] - [ 0.0000025300000000, -0.0000081300000000, 0.0000339700000000 ] - [ -0.0024881400000000, 0.0000628400000000, 0.0020565100000000 ] - [ 0.0036461800000000, 0.0096603300000000, 0.0025703600000000 ] - [ 0.0001897700000000, -0.0000078400000000, 0.0003653200000000 ] - [ 0.0003396100000000, 0.0025476500000000, 0.0003361400000000 ] - [ 0.0162915200000000, 0.0275699200000000, -0.0173012600000000 ] - [ -0.0007022300000000, -0.0065962300000000, -0.0005134600000000 ] - [ 0.0000236700000000, 0.0001488800000000, 0.0001194400000000 ] - [ 0.0004043900000000, -0.0026753600000000, 0.0003975400000000 ] - [ -0.0101437800000000, 0.0262769700000000, 0.0196975100000000 ] - [ 0.0004581100000000, -0.0026891600000000, 0.0003379400000000 ] - [ 0.0152083800000000, 0.0260033900000000, -0.0160801700000000 ] - [ -0.0006134000000000, -0.0064887600000000, -0.0005287100000000 ] - [ -0.0001307400000000, -0.0000012400000000, 0.0003528400000000 ] - [ 0.0000070600000000, -0.0001213500000000, -0.0001987700000000 ] - [ -0.0023898600000000, 0.0000596200000000, 0.0020981900000000 ] - [ 0.0006406200000000, -0.0027063500000000, 0.0003095600000000 ] - [ -0.0000487500000000, -0.0000079100000000, 0.0000452400000000 ] - [ -0.0000266600000000, -0.0000142000000000, 0.0000093100000000 ] - [ 0.0011330200000000, 0.0000624000000000, -0.0031128800000000 ] - [ -0.0001188400000000, -0.0002314700000000, 0.0000974000000000 ] - [ 0.0001223400000000, 0.0000000000000000, 0.0000512400000000 ] - [ 0.0000094200000000, 0.0000197200000000, 0.0000554200000000 ] - [ -0.0000437500000000, -0.0000000500000000, 0.0001315800000000 ] - [ -0.0001187500000000, 0.0002346700000000, 0.0000906700000000 ] - [ 0.0000324900000000, -0.0000000600000000, 0.0000628100000000 ] - [ 0.0000264800000000, 0.0000130000000000, 0.0000551700000000 ] - [ 0.0000100200000000, 0.0000003700000000, 0.0000650900000000 ] - [ 0.0001172900000000, 0.0000562400000000, 0.0000299200000000 ] - [ 0.0000111300000000, 0.0000007700000000, 0.0001431200000000 ] - [ 0.0000266700000000, -0.0000128800000000, 0.0000550600000000 ] - [ 0.0001570300000000, -0.0000000300000000, 0.0000206900000000 ] - [ 0.0001142100000000, -0.0000582800000000, 0.0000368800000000 ] - [ -0.0000426100000000, -0.0000000900000000, 0.0002053500000000 ] - [ 0.0000132600000000, 0.0000000400000000, 0.0000714800000000 ] - [ 0.0000479900000000, 0.0000431500000000, 0.0000781900000000 ] - [ 0.0000475200000000, -0.0000431700000000, 0.0000772700000000 ]- atom: 26 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000554700000000, -0.0000036600000000, 0.0000519700000000 ] - [ -0.0010372300000000, -0.0000019600000000, -0.0003574600000000 ] - [ -0.0122744000000000, -0.0025222600000000, -0.0034074200000000 ] - [ -0.0007207500000000, -0.0000080800000000, -0.0008011500000000 ] - [ -0.0000789400000000, -0.0000055300000000, -0.0000995000000000 ] - [ -0.0005793300000000, -0.0000070800000000, -0.0008556300000000 ] - [ 0.0000103400000000, -0.0000001600000000, 0.0000608900000000 ] - [ 0.0000315500000000, -0.0000018600000000, 0.0000075900000000 ] - [ -0.0000394200000000, -0.0000007300000000, 0.0000298400000000 ] - [ 0.0001236300000000, 0.0000000400000000, 0.0000441300000000 ] - [ 0.0000256600000000, -0.0000032200000000, 0.0001086800000000 ] - [ -0.0001681400000000, -0.0000043900000000, -0.0001007100000000 ] - [ -0.0121848800000000, -0.0025596700000000, -0.0034144100000000 ] - [ -0.0073527900000000, -0.0026080100000000, -0.0104722600000000 ] - [ -0.0009442600000000, -0.0000017200000000, -0.0003689900000000 ] - [ -0.0072002900000000, -0.0025167500000000, -0.0105275400000000 ] - [ 0.0000003500000000, 0.0000000500000000, 0.0000862200000000 ] - [ -0.0000898200000000, -0.0000008400000000, -0.0000449200000000 ] - [ -0.0000304900000000, -0.0000008300000000, 0.0000093200000000 ] - [ 0.0001224100000000, 0.0000001100000000, 0.0000449000000000 ] - [ 0.0002353700000000, 0.0000051100000000, 0.0000533400000000 ] - [ -0.0000357900000000, -0.0000012100000000, 0.0000033500000000 ] - [ 0.0000051300000000, 0.0013027600000000, -0.0000307900000000 ] - [ 0.0112358400000000, -0.0003938900000000, -0.0044638300000000 ] - [ 0.0000027000000000, -0.0012957400000000, -0.0000306600000000 ] - [ 0.0263040000000000, 0.2011300700000000, 0.0170643700000000 ] - [ 0.0001861500000000, 0.0000056500000000, 0.0000636400000000 ] - [ 0.0004372800000000, -0.0000065000000000, 0.0000230800000000 ] - [ 0.0008227600000000, -0.0007068900000000, 0.0007031900000000 ] - [ 0.0000446800000000, 0.0000006800000000, 0.0001892000000000 ] - [ 0.0003149300000000, -0.0000122800000000, 0.0000068200000000 ] - [ -0.0000024700000000, 0.0014026100000000, -0.0000679100000000 ] - [ 0.0005585100000000, -0.0002877600000000, 0.0002054900000000 ] - [ 0.0055732500000000, -0.0006186400000000, 0.0036986900000000 ] - [ 0.0001696500000000, 0.0000119900000000, 0.0000754300000000 ] - [ -0.0000416500000000, 0.0000004500000000, 0.0001061600000000 ] - [ 0.0001691400000000, -0.0000120500000000, 0.0000738900000000 ] - [ 0.0000510300000000, 0.0000356000000000, 0.0000572400000000 ] - [ 0.0000198000000000, -0.0000295100000000, 0.0000499500000000 ] - [ 0.0000461500000000, 0.0000004300000000, 0.0000996500000000 ] - [ 0.0000306200000000, 0.0000023400000000, 0.0002341600000000 ] - [ 0.0001168000000000, -0.0000026200000000, 0.0000926200000000 ] - [ 0.0005844900000000, 0.0002154200000000, 0.0002442300000000 ] - [ 0.0053927600000000, -0.0004917400000000, 0.0037362500000000 ] - [ 0.0005610600000000, -0.0002172200000000, 0.0002050900000000 ] - [ 0.0009083500000000, 0.0007033300000000, 0.0007245700000000 ] - [ -0.0000239400000000, 0.0000021500000000, 0.0002812900000000 ] - [ -0.0004721200000000, -0.0004455700000000, 0.0122195400000000 ] - [ -0.0014346500000000, -0.0753038600000000, -0.0011406200000000 ] - [ 0.0000764400000000, -0.0000003100000000, 0.0000985600000000 ] - [ -0.0006254200000000, -0.0004689200000000, 0.0122576300000000 ] - [ 0.0005810700000000, 0.0002871200000000, 0.0002387600000000 ] - [ -0.0000052300000000, -0.0013959400000000, -0.0000702400000000 ] - [ 0.0114679900000000, -0.0004464700000000, -0.0045873100000000 ] - [ 0.0001296800000000, 0.0000059700000000, 0.0000730000000000 ] - [ -0.0000407700000000, 0.0000002000000000, 0.0000919100000000 ] - [ 0.0001294200000000, -0.0000067500000000, 0.0000719200000000 ] - [ 0.0000201900000000, 0.0000286900000000, 0.0000508400000000 ] - [ 0.0000504200000000, -0.0000356600000000, 0.0000559500000000 ] - [ 0.0000468800000000, 0.0000003400000000, 0.0000841500000000 ] - [ 0.0001315000000000, -0.0000944000000000, -0.0000103100000000 ] - [ -0.0012878700000000, -0.0000630200000000, 0.0030984600000000 ] - [ -0.0000938800000000, -0.0001157000000000, -0.0000440400000000 ] - [ -0.0002725100000000, 0.0000019500000000, 0.0002978300000000 ] - [ -0.0002953300000000, -0.0000304200000000, -0.0001401900000000 ] - [ -0.0007055700000000, 0.0025835900000000, -0.0002742000000000 ] - [ 0.0002893900000000, 0.0000013900000000, -0.0004692500000000 ] - [ -0.0000718000000000, 0.0001836000000000, 0.0001158100000000 ] - [ -0.0004045500000000, -0.0000285500000000, -0.0000050800000000 ] - [ -0.0006265500000000, -0.0024716500000000, -0.0002282800000000 ] - [ 0.0093239800000000, -0.0249737800000000, -0.0186871300000000 ] - [ -0.0000616900000000, -0.0001854500000000, 0.0001165400000000 ] - [ -0.0000982100000000, -0.0001506500000000, -0.0001326800000000 ] - [ -0.0000152000000000, -0.0002483700000000, 0.0000665700000000 ] - [ -0.0002826500000000, -0.0000236900000000, -0.0001321900000000 ] - [ -0.0005551300000000, -0.0023773600000000, -0.0002392700000000 ] - [ -0.0000343600000000, 0.0000073300000000, -0.0004901200000000 ] - [ -0.0004163500000000, -0.0024504000000000, -0.0004024500000000 ] - [ -0.0002306700000000, -0.0000380200000000, -0.0000631200000000 ] - [ -0.0039507400000000, -0.0096994100000000, -0.0026683800000000 ] - [ -0.0003376900000000, 0.0000014500000000, 0.0003214000000000 ] - [ -0.0000617200000000, 0.0000449900000000, -0.0001238600000000 ] - [ -0.0001920800000000, -0.0001572100000000, 0.0005505200000000 ] - [ -0.0000365500000000, 0.0000180900000000, 0.0000834400000000 ] - [ 0.0001304800000000, 0.0000001000000000, -0.0001299300000000 ] - [ -0.0000261900000000, -0.0000387400000000, -0.0000766000000000 ] - [ 0.0000324000000000, 0.0000008300000000, -0.0000346800000000 ] - [ -0.0000297600000000, -0.0000280000000000, 0.0000952200000000 ] - [ 0.0000437800000000, 0.0000000600000000, -0.0000483700000000 ] - [ 0.0000135800000000, 0.0000218500000000, -0.0000588100000000 ] - [ -0.0000066900000000, -0.0000009200000000, 0.0000142500000000 ] - [ 0.0001064000000000, 0.0000536400000000, -0.0000803200000000 ] - [ -0.0000020800000000, -0.0000003000000000, 0.0000745300000000 ] - [ 0.0000136200000000, -0.0000216700000000, -0.0000593400000000 ] - [ 0.0001737000000000, 0.0000001600000000, -0.0000936600000000 ] - [ 0.0001032900000000, -0.0000555400000000, -0.0000730400000000 ] - [ -0.0000028800000000, 0.0000006500000000, 0.0000277000000000 ] - [ 0.0000218900000000, 0.0000000900000000, -0.0001041600000000 ] - [ 0.0000243300000000, 0.0000085400000000, -0.0000600800000000 ] - [ 0.0000246400000000, -0.0000081100000000, -0.0000622700000000 ] - [ -0.0000866400000000, 0.0001069700000000, -0.0000290600000000 ] - [ -0.0002125500000000, -0.0001628700000000, 0.0007553600000000 ] - [ 0.0001313800000000, 0.0000920500000000, -0.0000170700000000 ] - [ -0.0000575100000000, 0.0000086200000000, -0.0000556100000000 ] - [ 0.0023348100000000, -0.0000604200000000, -0.0021341300000000 ] - [ -0.0039715600000000, -0.0097415300000000, -0.0026227700000000 ] - [ -0.0000461900000000, 0.0000072400000000, -0.0006024900000000 ] - [ -0.0004645100000000, -0.0025459600000000, -0.0003599300000000 ] - [ -0.0156374400000000, -0.0263027500000000, 0.0162991400000000 ] - [ 0.0005214400000000, 0.0065956300000000, 0.0005608000000000 ] - [ -0.0001132700000000, -0.0001580300000000, -0.0000973400000000 ] - [ -0.0005095000000000, 0.0026723600000000, -0.0004247000000000 ] - [ 0.0108628300000000, -0.0275437300000000, -0.0210425600000000 ] - [ -0.0004857600000000, 0.0025663600000000, -0.0004689600000000 ] - [ -0.0161978500000000, -0.0272586900000000, 0.0171310300000000 ] - [ 0.0006868300000000, 0.0067315900000000, 0.0006032800000000 ] - [ 0.0002580400000000, 0.0000016000000000, -0.0003272500000000 ] - [ -0.0000245600000000, 0.0002460900000000, 0.0000642700000000 ] - [ 0.0023545600000000, -0.0000617600000000, -0.0020450000000000 ] - [ -0.0006231900000000, 0.0024835900000000, -0.0002675900000000 ] - [ -0.0001173600000000, 0.0000076100000000, -0.0000075200000000 ] - [ -0.0000259600000000, 0.0000390100000000, -0.0000758400000000 ] - [ -0.0012906400000000, -0.0000598900000000, 0.0029550700000000 ] - [ 0.0001905000000000, 0.0002308000000000, 0.0001092400000000 ] - [ 0.0001383600000000, 0.0000000800000000, -0.0001140000000000 ] - [ -0.0000621300000000, -0.0000442100000000, -0.0001238600000000 ] - [ 0.0000643200000000, 0.0000001600000000, -0.0000496900000000 ] - [ 0.0001906000000000, -0.0002336200000000, 0.0001127600000000 ] - [ 0.0000542700000000, 0.0000000600000000, -0.0000424700000000 ] - [ 0.0000113900000000, 0.0000198100000000, -0.0000524500000000 ] - [ 0.0000425400000000, -0.0000002000000000, -0.0000259800000000 ] - [ 0.0001032600000000, 0.0000556800000000, -0.0000720900000000 ] - [ -0.0000474100000000, -0.0000008900000000, 0.0001077300000000 ] - [ 0.0000112600000000, -0.0000196800000000, -0.0000530800000000 ] - [ 0.0001661800000000, 0.0000001800000000, -0.0001006600000000 ] - [ 0.0001063300000000, -0.0000535000000000, -0.0000813600000000 ] - [ 0.0000207200000000, 0.0000002100000000, 0.0000188100000000 ] - [ 0.0000269000000000, 0.0000000900000000, -0.0000893800000000 ] - [ 0.0000519700000000, 0.0000067500000000, -0.0000198400000000 ] - [ 0.0000520900000000, -0.0000066100000000, -0.0000214300000000 ]- atom: 26 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0000032700000000, -0.0000090200000000, 0.0011511000000000 ] - [ -0.0014740400000000, 0.0007045900000000, 0.0022718800000000 ] - [ 0.0009399700000000, 0.0049650600000000, -0.0141144700000000 ] - [ -0.0005720400000000, 0.0002700500000000, -0.0010837800000000 ] - [ 0.0009589400000000, 0.0000490700000000, 0.0007477800000000 ] - [ -0.0004382800000000, 0.0002697200000000, -0.0011447600000000 ] - [ 0.0000570700000000, 0.0000041200000000, 0.0013239900000000 ] - [ 0.0003057300000000, 0.0000283700000000, 0.0016113300000000 ] - [ -0.0000113000000000, 0.0000049000000000, 0.0013796100000000 ] - [ 0.0001768200000000, 0.0000012900000000, 0.0015487400000000 ] - [ -0.0000413300000000, -0.0000245000000000, 0.0016149400000000 ] - [ 0.0007756200000000, 0.0000440800000000, 0.0007347300000000 ] - [ 0.0008674500000000, 0.0049338200000000, -0.0141447100000000 ] - [ 0.0056534800000000, 0.0126595700000000, 0.0132869200000000 ] - [ -0.0012239200000000, 0.0006952700000000, 0.0022317700000000 ] - [ 0.0056475200000000, 0.0123448100000000, 0.0130089600000000 ] - [ 0.0000147700000000, 0.0000053400000000, 0.0014264000000000 ] - [ -0.0001602500000000, 0.0000444700000000, 0.0014869700000000 ] - [ 0.0000218700000000, 0.0000054100000000, 0.0012963200000000 ] - [ 0.0001717100000000, 0.0000013400000000, 0.0015523200000000 ] - [ 0.0004126800000000, -0.0000468700000000, 0.0019111700000000 ] - [ -0.0001227200000000, 0.0000652000000000, 0.0023144300000000 ] - [ -0.0008983300000000, 0.0000367100000000, 0.0013218800000000 ] - [ -0.0104692500000000, 0.0001418500000000, -0.0010354800000000 ] - [ -0.0007414300000000, -0.0000412000000000, 0.0013717700000000 ] - [ -0.0395893600000000, -0.0205685600000000, -0.1630966400000000 ] - [ 0.0003528200000000, -0.0000541400000000, 0.0019781800000000 ] - [ 0.0020367500000000, 0.0004043400000000, -0.0014901500000000 ] - [ 0.0016297400000000, 0.0007380700000000, -0.0087347900000000 ] - [ -0.0000402100000000, -0.0000265800000000, 0.0025443100000000 ] - [ 0.0019633600000000, 0.0004208300000000, -0.0014813400000000 ] - [ -0.0010299400000000, 0.0000033500000000, 0.0012963500000000 ] - [ 0.0021740700000000, 0.0003422700000000, 0.0037336200000000 ] - [ 0.0110883900000000, -0.0107379800000000, 0.0019656300000000 ] - [ 0.0002766600000000, -0.0001246100000000, 0.0021021600000000 ] - [ -0.0001057900000000, -0.0000019700000000, 0.0022992100000000 ] - [ 0.0002873200000000, 0.0001238700000000, 0.0021106700000000 ] - [ 0.0001506100000000, -0.0000887600000000, 0.0021128600000000 ] - [ 0.0000145100000000, 0.0000929500000000, 0.0021062000000000 ] - [ -0.0000196100000000, -0.0000016100000000, 0.0022648100000000 ] - [ -0.0004855800000000, -0.0001190600000000, 0.0025022300000000 ] - [ 0.0005152800000000, 0.0000394600000000, 0.0025409900000000 ] - [ 0.0010294200000000, -0.0002416600000000, 0.0024388900000000 ] - [ 0.0109563000000000, -0.0107344300000000, 0.0020707400000000 ] - [ 0.0022770600000000, 0.0002335200000000, 0.0037655400000000 ] - [ -0.0003853500000000, -0.0007712700000000, -0.0090311600000000 ] - [ -0.0005672500000000, -0.0001430300000000, 0.0026583200000000 ] - [ -0.0049228400000000, -0.0050575000000000, 0.0105852500000000 ] - [ 0.0069155300000000, -0.0014100400000000, -0.0335701500000000 ] - [ -0.0000039300000000, -0.0000070700000000, 0.0018709300000000 ] - [ -0.0051612500000000, -0.0051945700000000, 0.0107785600000000 ] - [ 0.0009304000000000, -0.0003832800000000, 0.0024403000000000 ] - [ -0.0008611200000000, -0.0000059400000000, 0.0013511200000000 ] - [ -0.0104189500000000, 0.0001604900000000, -0.0011457000000000 ] - [ 0.0000908300000000, -0.0001165000000000, 0.0021042900000000 ] - [ -0.0001047800000000, -0.0000023500000000, 0.0022400500000000 ] - [ 0.0000981000000000, 0.0001163100000000, 0.0021127200000000 ] - [ 0.0000045100000000, -0.0000926900000000, 0.0020977000000000 ] - [ 0.0001616600000000, 0.0000886500000000, 0.0021202100000000 ] - [ -0.0000208800000000, -0.0000017800000000, 0.0021987300000000 ] - [ 0.0004451100000000, 0.0000901500000000, -0.0015837600000000 ] - [ 0.0014653100000000, -0.0000389500000000, -0.0008214400000000 ] - [ -0.0005736000000000, -0.0002317900000000, -0.0013233000000000 ] - [ 0.0002325600000000, -0.0000100800000000, -0.0010594300000000 ] - [ -0.0021108400000000, -0.0009743100000000, -0.0011844100000000 ] - [ 0.0031741500000000, -0.0008064800000000, 0.0039027700000000 ] - [ 0.0002805700000000, 0.0000102000000000, -0.0011029700000000 ] - [ -0.0000718600000000, 0.0001139100000000, 0.0003961900000000 ] - [ -0.0025691700000000, -0.0009523000000000, 0.0047695500000000 ] - [ 0.0019819800000000, 0.0006045000000000, 0.0051358800000000 ] - [ -0.0060217100000000, 0.0170178400000000, 0.0262943400000000 ] - [ -0.0001851700000000, -0.0001511800000000, 0.0004796800000000 ] - [ -0.0040560700000000, 0.0010217300000000, 0.0039391100000000 ] - [ -0.0001379100000000, -0.0001873600000000, 0.0004148400000000 ] - [ -0.0024493800000000, -0.0009499000000000, 0.0046360900000000 ] - [ 0.0020583500000000, 0.0006995000000000, 0.0051000300000000 ] - [ -0.0001063700000000, -0.0002703400000000, -0.0025655500000000 ] - [ -0.0000693400000000, -0.0001972400000000, -0.0057484000000000 ] - [ -0.0019929400000000, -0.0009533500000000, -0.0011270100000000 ] - [ 0.0271645100000000, 0.0040599100000000, 0.0301299900000000 ] - [ 0.0002458100000000, -0.0000106300000000, -0.0009326500000000 ] - [ -0.0002849100000000, 0.0001811100000000, -0.0014403900000000 ] - [ -0.0014884200000000, 0.0010995500000000, -0.0022640200000000 ] - [ -0.0005389200000000, -0.0001846600000000, -0.0011133800000000 ] - [ 0.0001889500000000, -0.0000021100000000, -0.0019279600000000 ] - [ -0.0001041500000000, -0.0001257100000000, -0.0012499800000000 ] - [ 0.0001399700000000, -0.0000079500000000, -0.0012420300000000 ] - [ -0.0006204700000000, 0.0002220400000000, -0.0012580700000000 ] - [ 0.0002615600000000, 0.0000017400000000, -0.0013629700000000 ] - [ -0.0001392900000000, 0.0001598700000000, -0.0013253800000000 ] - [ 0.0000325000000000, 0.0000086500000000, -0.0017713000000000 ] - [ -0.0000526200000000, -0.0000813400000000, -0.0013427700000000 ] - [ 0.0001112700000000, 0.0000044400000000, -0.0017119500000000 ] - [ -0.0001403700000000, -0.0001600700000000, -0.0013237400000000 ] - [ 0.0004144800000000, 0.0000014000000000, -0.0013786500000000 ] - [ -0.0000624300000000, 0.0000772600000000, -0.0013060600000000 ] - [ -0.0000389900000000, -0.0000072400000000, -0.0012646500000000 ] - [ 0.0000832100000000, -0.0000016700000000, -0.0018998300000000 ] - [ -0.0001502500000000, 0.0000076900000000, -0.0014634200000000 ] - [ -0.0001449100000000, -0.0000097900000000, -0.0014363200000000 ] - [ -0.0006500900000000, 0.0002574600000000, -0.0014695600000000 ] - [ -0.0015022800000000, 0.0010960700000000, -0.0020646600000000 ] - [ 0.0002524600000000, -0.0001253300000000, -0.0013534500000000 ] - [ -0.0000523100000000, 0.0001819200000000, -0.0020932600000000 ] - [ 0.0021698800000000, 0.0000393900000000, -0.0009702400000000 ] - [ 0.0274209400000000, 0.0041721000000000, 0.0303156300000000 ] - [ -0.0001780100000000, -0.0003032100000000, -0.0022907500000000 ] - [ -0.0000490300000000, -0.0002275900000000, -0.0056926700000000 ] - [ -0.0077637200000000, -0.0136995200000000, 0.0241751600000000 ] - [ -0.0013404000000000, 0.0006833900000000, 0.0070082900000000 ] - [ -0.0040841000000000, 0.0010365900000000, 0.0040135200000000 ] - [ -0.0006070700000000, 0.0002041400000000, -0.0020230900000000 ] - [ -0.0060446500000000, 0.0172022000000000, 0.0264640800000000 ] - [ -0.0005876400000000, 0.0001900000000000, -0.0020849800000000 ] - [ -0.0078586700000000, -0.0139789400000000, 0.0240893300000000 ] - [ -0.0013123400000000, 0.0007643600000000, 0.0069605600000000 ] - [ 0.0002942700000000, 0.0000100000000000, -0.0012892800000000 ] - [ -0.0000307100000000, 0.0001508200000000, 0.0003299600000000 ] - [ 0.0022167800000000, 0.0000426800000000, -0.0008936000000000 ] - [ 0.0032534800000000, -0.0009097000000000, 0.0038683000000000 ] - [ 0.0000249800000000, 0.0002105700000000, -0.0018934700000000 ] - [ -0.0001157800000000, 0.0001251400000000, -0.0012297500000000 ] - [ 0.0015186400000000, -0.0000398300000000, -0.0010254500000000 ] - [ 0.0002923100000000, -0.0000828500000000, -0.0011378500000000 ] - [ 0.0002341400000000, -0.0000006200000000, -0.0018687200000000 ] - [ -0.0002946000000000, -0.0001890900000000, -0.0014716400000000 ] - [ 0.0003693900000000, -0.0000045100000000, -0.0013786000000000 ] - [ 0.0004896200000000, 0.0000803100000000, -0.0013627400000000 ] - [ 0.0003024800000000, 0.0000006000000000, -0.0013295600000000 ] - [ -0.0001469500000000, 0.0001551100000000, -0.0012957200000000 ] - [ 0.0001779600000000, 0.0000051100000000, -0.0019007000000000 ] - [ -0.0000624500000000, -0.0000766600000000, -0.0013022600000000 ] - [ -0.0000212000000000, 0.0000073400000000, -0.0016018100000000 ] - [ -0.0001475900000000, -0.0001547700000000, -0.0012927000000000 ] - [ 0.0003830300000000, 0.0000016400000000, -0.0014145800000000 ] - [ -0.0000517900000000, 0.0000815600000000, -0.0013456800000000 ] - [ 0.0001372300000000, -0.0000065100000000, -0.0013578600000000 ] - [ 0.0001143100000000, -0.0000012800000000, -0.0018441400000000 ] - [ 0.0000041400000000, 0.0000287200000000, -0.0012743700000000 ] - [ -0.0000088000000000, -0.0000260800000000, -0.0012487900000000 ]- atom: 26 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0000665100000000, 0.0000013900000000, -0.0013046100000000 ] - [ 0.0013111300000000, -0.0006895500000000, -0.0023012800000000 ] - [ -0.0010092100000000, -0.0049354900000000, 0.0141232200000000 ] - [ 0.0003752200000000, -0.0002702900000000, 0.0011626000000000 ] - [ -0.0009775800000000, -0.0000492200000000, -0.0007747100000000 ] - [ 0.0005070400000000, -0.0002685400000000, 0.0011470400000000 ] - [ -0.0000130300000000, -0.0000041100000000, -0.0012865500000000 ] - [ -0.0003051400000000, -0.0000282900000000, -0.0016730000000000 ] - [ -0.0000332100000000, -0.0000059900000000, -0.0014534600000000 ] - [ 0.0000673100000000, -0.0000010700000000, -0.0015909600000000 ] - [ 0.0001042700000000, 0.0000165400000000, -0.0017646400000000 ] - [ -0.0009213700000000, -0.0000428700000000, -0.0007736800000000 ] - [ -0.0010339500000000, -0.0049618200000000, 0.0141003200000000 ] - [ -0.0057619500000000, -0.0124634200000000, -0.0130404400000000 ] - [ 0.0012224500000000, -0.0007092500000000, -0.0022681100000000 ] - [ -0.0056665200000000, -0.0125393600000000, -0.0131714200000000 ] - [ 0.0000292300000000, -0.0000053200000000, -0.0013894900000000 ] - [ 0.0001642200000000, -0.0000454000000000, -0.0015485400000000 ] - [ -0.0000662500000000, -0.0000064600000000, -0.0013707600000000 ] - [ 0.0000730200000000, -0.0000011400000000, -0.0015949400000000 ] - [ -0.0002930600000000, 0.0000469800000000, -0.0019444000000000 ] - [ 0.0002841500000000, -0.0000638300000000, -0.0023236300000000 ] - [ 0.0009293700000000, -0.0003353900000000, -0.0013565900000000 ] - [ 0.0101616300000000, -0.0001243300000000, 0.0011275700000000 ] - [ 0.0007753400000000, 0.0003400900000000, -0.0014016500000000 ] - [ 0.0395622900000000, 0.0207736400000000, 0.1630373500000000 ] - [ -0.0003547000000000, 0.0000544700000000, -0.0019335700000000 ] - [ -0.0021323600000000, -0.0004006800000000, 0.0015578300000000 ] - [ -0.0016996700000000, -0.0009181700000000, 0.0087157700000000 ] - [ 0.0001443500000000, 0.0000271600000000, -0.0026736200000000 ] - [ -0.0022972000000000, -0.0004244800000000, 0.0014764400000000 ] - [ 0.0010797100000000, -0.0000874600000000, -0.0013114300000000 ] - [ -0.0021579400000000, -0.0002586000000000, -0.0037696900000000 ] - [ -0.0112867800000000, 0.0107598500000000, -0.0018981500000000 ] - [ -0.0000059200000000, 0.0000964500000000, -0.0021387600000000 ] - [ 0.0000237400000000, 0.0000020100000000, -0.0023118000000000 ] - [ -0.0000167700000000, -0.0000955800000000, -0.0021490100000000 ] - [ -0.0000991500000000, 0.0001160700000000, -0.0021962300000000 ] - [ 0.0000357400000000, -0.0001199500000000, -0.0021909000000000 ] - [ 0.0001140700000000, 0.0000019600000000, -0.0022865400000000 ] - [ 0.0005986300000000, 0.0001171900000000, -0.0025315700000000 ] - [ -0.0003488500000000, -0.0000389400000000, -0.0025489600000000 ] - [ -0.0009895500000000, -0.0000570800000000, -0.0024690400000000 ] - [ -0.0111961200000000, 0.0107128800000000, -0.0019511800000000 ] - [ -0.0022141200000000, 0.0000643100000000, -0.0037774000000000 ] - [ 0.0003153300000000, 0.0009515900000000, 0.0090123600000000 ] - [ 0.0005721300000000, 0.0001456600000000, -0.0026188400000000 ] - [ 0.0049021300000000, 0.0051626000000000, -0.0105788700000000 ] - [ -0.0069848700000000, 0.0012298400000000, 0.0335503600000000 ] - [ 0.0001078000000000, 0.0000072100000000, -0.0019947100000000 ] - [ 0.0047527400000000, 0.0050888400000000, -0.0107201400000000 ] - [ -0.0008900600000000, 0.0003007500000000, -0.0024603200000000 ] - [ 0.0009079400000000, 0.0000903100000000, -0.0013673200000000 ] - [ 0.0102892600000000, -0.0001782000000000, 0.0012393900000000 ] - [ 0.0001816100000000, 0.0000884300000000, -0.0021407400000000 ] - [ 0.0000226300000000, 0.0000023300000000, -0.0022526000000000 ] - [ 0.0001741200000000, -0.0000881300000000, -0.0021511200000000 ] - [ 0.0000456500000000, 0.0001198600000000, -0.0021812200000000 ] - [ -0.0001100900000000, -0.0001158100000000, -0.0022048800000000 ] - [ 0.0001153900000000, 0.0000019700000000, -0.0022201100000000 ] - [ -0.0004892400000000, 0.0001797500000000, 0.0015732500000000 ] - [ -0.0016622900000000, 0.0000349600000000, 0.0011270500000000 ] - [ 0.0005196600000000, -0.0000396000000000, 0.0013141200000000 ] - [ -0.0002894700000000, 0.0000101300000000, 0.0010422700000000 ] - [ 0.0019451400000000, 0.0009718200000000, 0.0011113500000000 ] - [ -0.0033097000000000, 0.0007888700000000, -0.0038122900000000 ] - [ -0.0001354900000000, -0.0000099700000000, 0.0008695700000000 ] - [ -0.0000449500000000, -0.0001138600000000, -0.0004149000000000 ] - [ 0.0022677600000000, 0.0009505100000000, -0.0046177900000000 ] - [ -0.0021127800000000, -0.0005860200000000, -0.0050445700000000 ] - [ 0.0055615300000000, -0.0163292100000000, -0.0259329500000000 ] - [ 0.0000689900000000, 0.0001514400000000, -0.0004998000000000 ] - [ 0.0039980700000000, -0.0010200500000000, -0.0040066900000000 ] - [ 0.0001202400000000, 0.0000638800000000, -0.0005548100000000 ] - [ 0.0024036500000000, 0.0009518500000000, -0.0047291300000000 ] - [ -0.0020370300000000, -0.0004773000000000, -0.0050704000000000 ] - [ 0.0002375300000000, 0.0002766000000000, 0.0025995800000000 ] - [ 0.0000491900000000, 0.0003170500000000, 0.0056744500000000 ] - [ 0.0019726500000000, 0.0009561200000000, 0.0011751300000000 ] - [ -0.0287549000000000, -0.0044229600000000, -0.0309352500000000 ] - [ -0.0004133300000000, 0.0000106800000000, 0.0009664800000000 ] - [ 0.0002326200000000, -0.0001547200000000, 0.0013742700000000 ] - [ 0.0013394300000000, -0.0011010400000000, 0.0020957300000000 ] - [ 0.0006139900000000, 0.0001849400000000, 0.0013187600000000 ] - [ 0.0000736600000000, 0.0000021400000000, 0.0018653400000000 ] - [ 0.0000507500000000, 0.0000994000000000, 0.0011808900000000 ] - [ -0.0001170500000000, 0.0000081200000000, 0.0013247900000000 ] - [ 0.0006954000000000, -0.0002224800000000, 0.0014612000000000 ] - [ -0.0001761700000000, -0.0000016500000000, 0.0013809900000000 ] - [ 0.0001774000000000, -0.0001256300000000, 0.0013277000000000 ] - [ 0.0000184100000000, -0.0000084800000000, 0.0018081600000000 ] - [ 0.0002725200000000, 0.0001954100000000, 0.0012999400000000 ] - [ -0.0001472700000000, -0.0000043700000000, 0.0019618600000000 ] - [ 0.0001785400000000, 0.0001258500000000, 0.0013253100000000 ] - [ -0.0000906200000000, -0.0000011400000000, 0.0012994600000000 ] - [ 0.0002825800000000, -0.0001918800000000, 0.0012610900000000 ] - [ 0.0000182300000000, 0.0000074600000000, 0.0014894400000000 ] - [ -0.0000459500000000, 0.0000019500000000, 0.0018801100000000 ] - [ 0.0002477700000000, 0.0000421000000000, 0.0015219100000000 ] - [ 0.0002423900000000, -0.0000399400000000, 0.0014929800000000 ] - [ 0.0005967300000000, 0.0000140600000000, 0.0014619100000000 ] - [ 0.0012932900000000, -0.0010939400000000, 0.0023665400000000 ] - [ -0.0003006000000000, -0.0001452300000000, 0.0013453400000000 ] - [ -0.0000067300000000, -0.0001774400000000, 0.0020685100000000 ] - [ -0.0023164100000000, -0.0000359300000000, 0.0009011200000000 ] - [ -0.0259730400000000, -0.0040550400000000, -0.0293873600000000 ] - [ 0.0003198000000000, 0.0002963500000000, 0.0020482700000000 ] - [ -0.0000641200000000, 0.0002311800000000, 0.0056071500000000 ] - [ 0.0077816000000000, 0.0141830800000000, -0.0241715200000000 ] - [ 0.0012187500000000, -0.0006730800000000, -0.0069036600000000 ] - [ 0.0039940500000000, -0.0010380700000000, -0.0039887000000000 ] - [ 0.0004996900000000, -0.0002077900000000, 0.0020082000000000 ] - [ 0.0063631400000000, -0.0179070300000000, -0.0268642000000000 ] - [ 0.0005612400000000, -0.0003090000000000, 0.0019402100000000 ] - [ 0.0074941700000000, 0.0134936900000000, -0.0240282400000000 ] - [ 0.0013240300000000, -0.0005349200000000, -0.0069445200000000 ] - [ -0.0001667200000000, -0.0000098600000000, 0.0013122300000000 ] - [ 0.0000134800000000, -0.0000275700000000, -0.0004718100000000 ] - [ -0.0022565000000000, -0.0000459300000000, 0.0009375200000000 ] - [ -0.0032276100000000, 0.0006872500000000, -0.0038376000000000 ] - [ -0.0001899100000000, -0.0002152300000000, 0.0019343900000000 ] - [ 0.0000626100000000, -0.0000988400000000, 0.0011622300000000 ] - [ -0.0016799000000000, 0.0000441200000000, 0.0008525400000000 ] - [ -0.0002236000000000, 0.0000817400000000, 0.0013419300000000 ] - [ 0.0000282900000000, 0.0000007500000000, 0.0018057900000000 ] - [ 0.0002426000000000, 0.0001629700000000, 0.0014042600000000 ] - [ -0.0003481900000000, 0.0000047300000000, 0.0014624100000000 ] - [ -0.0004249700000000, -0.0000785800000000, 0.0015682400000000 ] - [ -0.0002183200000000, -0.0000006500000000, 0.0013476800000000 ] - [ 0.0001849300000000, -0.0001207400000000, 0.0012982400000000 ] - [ -0.0001279000000000, -0.0000050600000000, 0.0019398200000000 ] - [ 0.0002827000000000, 0.0001916000000000, 0.0012595500000000 ] - [ -0.0000156800000000, -0.0000074900000000, 0.0018527500000000 ] - [ 0.0001857200000000, 0.0001206100000000, 0.0012945500000000 ] - [ -0.0000595200000000, -0.0000016000000000, 0.0013353200000000 ] - [ 0.0002715500000000, -0.0001953600000000, 0.0013006400000000 ] - [ -0.0001564800000000, 0.0000064500000000, 0.0015819900000000 ] - [ -0.0000769100000000, 0.0000013600000000, 0.0018237500000000 ] - [ 0.0000949000000000, 0.0000212700000000, 0.0013344400000000 ] - [ 0.0001072300000000, -0.0000237300000000, 0.0013068600000000 ]- atom: 27 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0000295800000000, 0.0000000000000000, -0.0000922800000000 ] - [ -0.0000870600000000, 0.0000000000000000, -0.0000326100000000 ] - [ -0.0005970100000000, 0.0000000000000000, 0.0004375800000000 ] - [ -0.0002115600000000, 0.0000000000000000, -0.0000227900000000 ] - [ -0.0111931000000000, 0.0000000000000000, 0.0054841300000000 ] - [ 0.0000512200000000, 0.0000000000000000, -0.0014974300000000 ] - [ -0.0021020600000000, 0.0000000000000000, 0.0046945700000000 ] - [ 0.0035152800000000, 0.0000000000000000, -0.0052144200000000 ] - [ 0.0000256500000000, 0.0000000000000000, -0.0001874400000000 ] - [ -0.0003404200000000, 0.0000000000000000, -0.0001702600000000 ] - [ 0.0000351500000000, 0.0000000000000000, -0.0001505900000000 ] - [ -0.0000625300000000, 0.0000000000000000, -0.0000783100000000 ] - [ 0.0004316800000000, 0.0000000000000000, -0.0004048600000000 ] - [ 0.0000353700000000, 0.0000000000000000, 0.0000181700000000 ] - [ 0.0061106600000000, 0.0000000000000000, 0.0004383900000000 ] - [ 0.0018327500000000, 0.0000000000000000, 0.0014427400000000 ] - [ 0.0025764100000000, 0.0000000000000000, -0.0020095300000000 ] - [ 0.0120201400000000, 0.0000000000000000, 0.0051631400000000 ] - [ -0.0000709000000000, 0.0000000000000000, 0.0000435500000000 ] - [ 0.0007856000000000, 0.0000000000000000, 0.0000377800000000 ] - [ 0.0000742000000000, 0.0000000000000000, -0.0000698000000000 ] - [ 0.0000253300000000, 0.0000000000000000, -0.0000536600000000 ] - [ -0.0000427300000000, -0.0001510400000000, -0.0000666800000000 ] - [ -0.0003985500000000, 0.0000000000000000, 0.0001747000000000 ] - [ -0.0000427300000000, 0.0001510400000000, -0.0000666800000000 ] - [ 0.0007324300000000, -0.0000967700000000, 0.0002406800000000 ] - [ -0.1566713900000000, 0.0000000000000000, -0.0048465800000000 ] - [ -0.0084876300000000, 0.0000000000000000, 0.0000807800000000 ] - [ -0.0006368000000000, -0.0001131300000000, -0.0004935500000000 ] - [ 0.0125515200000000, 0.0000000000000000, -0.0064755300000000 ] - [ -0.0001644300000000, 0.0000000000000000, -0.0002265000000000 ] - [ 0.0090579800000000, -0.0115064400000000, -0.0117246300000000 ] - [ 0.0112238200000000, 0.0057324400000000, 0.0096830200000000 ] - [ -0.0013411000000000, 0.0000000000000000, 0.0027953900000000 ] - [ -0.0032668300000000, 0.0003764100000000, -0.0044311800000000 ] - [ -0.0000173000000000, 0.0000000000000000, -0.0009346300000000 ] - [ -0.0032668300000000, -0.0003764100000000, -0.0044311800000000 ] - [ 0.0002558100000000, -0.0000069500000000, -0.0001299000000000 ] - [ -0.0002045200000000, -0.0000159300000000, -0.0000981300000000 ] - [ 0.0007968100000000, 0.0000000000000000, -0.0009904200000000 ] - [ 0.0000439300000000, 0.0000000000000000, -0.0000952700000000 ] - [ 0.0001382200000000, 0.0000000000000000, -0.0001004400000000 ] - [ 0.0000740700000000, -0.0001533200000000, -0.0000865600000000 ] - [ 0.0000283100000000, 0.0000000000000000, -0.0001889300000000 ] - [ 0.0000740700000000, 0.0001533200000000, -0.0000865600000000 ] - [ -0.0006368000000000, 0.0001131300000000, -0.0004935500000000 ] - [ 0.0069075300000000, 0.0000000000000000, 0.0004872400000000 ] - [ 0.0036579500000000, 0.0000000000000000, -0.0001805600000000 ] - [ 0.0007324300000000, 0.0000967700000000, 0.0002406800000000 ] - [ -0.0036097600000000, 0.0000000000000000, 0.0053558000000000 ] - [ -0.0001776500000000, 0.0000000000000000, 0.0000957900000000 ] - [ 0.0112238200000000, -0.0057324400000000, 0.0096830200000000 ] - [ 0.0090579800000000, 0.0115064400000000, -0.0117246300000000 ] - [ 0.0006937600000000, 0.0000000000000000, -0.0031013000000000 ] - [ 0.0036250600000000, -0.0004945900000000, 0.0015836900000000 ] - [ -0.0000519100000000, 0.0000000000000000, 0.0007214100000000 ] - [ 0.0036250600000000, 0.0004945900000000, 0.0015836900000000 ] - [ -0.0002045200000000, 0.0000159300000000, -0.0000981300000000 ] - [ 0.0002558100000000, 0.0000069500000000, -0.0001299000000000 ] - [ -0.0012235100000000, 0.0000000000000000, 0.0007282500000000 ] - [ -0.0000038300000000, 0.0001292200000000, 0.0000316500000000 ] - [ -0.0000621900000000, 0.0000000000000000, 0.0001613400000000 ] - [ -0.0000393900000000, -0.0001381700000000, 0.0000424700000000 ] - [ -0.0000171400000000, 0.0000000000000000, 0.0000249600000000 ] - [ -0.0001427100000000, 0.0000000000000000, 0.0000448300000000 ] - [ 0.0001785300000000, -0.0000314000000000, 0.0000645000000000 ] - [ 0.0000877000000000, 0.0000000000000000, -0.0000745600000000 ] - [ -0.0000083100000000, 0.0000195200000000, 0.0000753400000000 ] - [ 0.0007466200000000, 0.0000000000000000, 0.0003030400000000 ] - [ 0.0001785300000000, 0.0000314000000000, 0.0000645000000000 ] - [ -0.0001285500000000, 0.0000000000000000, -0.0002103300000000 ] - [ -0.0000083100000000, -0.0000195200000000, 0.0000753400000000 ] - [ 0.0012479900000000, 0.0000000000000000, 0.0001917900000000 ] - [ 0.0051160200000000, 0.0015740500000000, 0.0031438800000000 ] - [ 0.0000769300000000, 0.0000000000000000, 0.0003141000000000 ] - [ 0.0002257200000000, 0.0003723200000000, 0.0010317300000000 ] - [ -0.0078293300000000, 0.0000000000000000, -0.0015875800000000 ] - [ -0.0029717400000000, -0.0004062500000000, -0.0012398000000000 ] - [ 0.0002148300000000, 0.0000000000000000, -0.0056973000000000 ] - [ -0.0004305200000000, 0.0000308200000000, -0.0011847500000000 ] - [ 0.0774057200000000, 0.0000000000000000, -0.0173420900000000 ] - [ -0.0019104700000000, -0.0013339800000000, 0.0044650200000000 ] - [ -0.0003858100000000, 0.0000000000000000, -0.0053694000000000 ] - [ 0.0229213700000000, 0.0319205900000000, 0.0097768700000000 ] - [ 0.0005798900000000, 0.0000000000000000, 0.0016512400000000 ] - [ -0.0028497900000000, 0.0017589500000000, -0.0048928200000000 ] - [ 0.0048713500000000, 0.0000000000000000, 0.0017534300000000 ] - [ 0.0229213700000000, -0.0319205900000000, 0.0097768700000000 ] - [ 0.0009634800000000, 0.0000000000000000, 0.0004716700000000 ] - [ 0.0002287100000000, -0.0000856600000000, 0.0002866600000000 ] - [ 0.0088008800000000, 0.0000000000000000, 0.0061715100000000 ] - [ -0.0010264100000000, 0.0000002900000000, 0.0003445600000000 ] - [ 0.0000344900000000, 0.0000000000000000, 0.0002277300000000 ] - [ 0.0002287100000000, 0.0000856600000000, 0.0002866600000000 ] - [ 0.0004324300000000, 0.0000000000000000, -0.0001679900000000 ] - [ 0.0011151500000000, -0.0002180900000000, 0.0000033500000000 ] - [ -0.0000745300000000, 0.0000000000000000, 0.0001177700000000 ] - [ -0.0001033400000000, 0.0000000000000000, 0.0001829600000000 ] - [ 0.0000265600000000, 0.0000191300000000, 0.0001175200000000 ] - [ 0.0000265600000000, -0.0000191300000000, 0.0001175200000000 ] - [ -0.0000393900000000, 0.0001381700000000, 0.0000424700000000 ] - [ -0.0001389200000000, 0.0000000000000000, 0.0002376300000000 ] - [ -0.0000038300000000, -0.0001292200000000, 0.0000316500000000 ] - [ -0.0000490400000000, 0.0000000000000000, 0.0000417600000000 ] - [ -0.0000238400000000, 0.0000000000000000, -0.0000323400000000 ] - [ -0.0002648300000000, 0.0000215200000000, 0.0001364700000000 ] - [ 0.0000559600000000, 0.0000000000000000, -0.0000751100000000 ] - [ -0.0001016100000000, -0.0000111600000000, -0.0000257900000000 ] - [ -0.0008604100000000, 0.0000000000000000, -0.0000553400000000 ] - [ -0.0002648300000000, -0.0000215200000000, 0.0001364700000000 ] - [ 0.0000245400000000, 0.0000000000000000, 0.0002463700000000 ] - [ -0.0001016100000000, 0.0000111600000000, -0.0000257900000000 ] - [ -0.0014041000000000, 0.0000000000000000, 0.0004190300000000 ] - [ -0.0029717400000000, 0.0004062500000000, -0.0012398000000000 ] - [ -0.0001789500000000, 0.0000000000000000, -0.0002931400000000 ] - [ -0.0004305200000000, -0.0000308200000000, -0.0011847500000000 ] - [ 0.0029872000000000, 0.0000000000000000, 0.0004736700000000 ] - [ 0.0051160200000000, -0.0015740500000000, 0.0031438800000000 ] - [ -0.0017349300000000, 0.0000000000000000, 0.0016043900000000 ] - [ 0.0002257200000000, -0.0003723200000000, 0.0010317300000000 ] - [ -0.0061544100000000, 0.0000000000000000, 0.0003578400000000 ] - [ -0.0028497900000000, -0.0017589500000000, -0.0048928200000000 ] - [ -0.0040746600000000, 0.0000000000000000, 0.0057931400000000 ] - [ -0.0072296200000000, -0.0022998200000000, -0.0007718500000000 ] - [ -0.0003254700000000, 0.0000000000000000, -0.0014768500000000 ] - [ -0.0019104700000000, 0.0013339800000000, 0.0044650200000000 ] - [ -0.0045761100000000, 0.0000000000000000, 0.0005000100000000 ] - [ -0.0072296200000000, 0.0022998200000000, -0.0007718500000000 ] - [ -0.0003185400000000, 0.0000000000000000, -0.0013154400000000 ] - [ -0.0002172400000000, 0.0000768200000000, -0.0002089800000000 ] - [ -0.0028673600000000, 0.0000000000000000, -0.0004639600000000 ] - [ 0.0011151500000000, 0.0002180900000000, 0.0000033500000000 ] - [ -0.0000758600000000, 0.0000000000000000, 0.0001303400000000 ] - [ -0.0002172400000000, -0.0000768200000000, -0.0002089800000000 ] - [ -0.0001262600000000, 0.0000000000000000, 0.0002100300000000 ] - [ -0.0010264100000000, -0.0000002900000000, 0.0003445600000000 ] - [ 0.0000516400000000, 0.0000000000000000, 0.0001792100000000 ] - [ 0.0002037200000000, 0.0000000000000000, -0.0001156600000000 ] - [ 0.0000773900000000, 0.0000281600000000, 0.0000232600000000 ] - [ 0.0000773900000000, -0.0000281600000000, 0.0000232600000000 ]- atom: 27 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0000371800000000, 0.0000000000000000, -0.0000637300000000 ] - [ -0.0000712500000000, 0.0000000000000000, 0.0000011800000000 ] - [ 0.0004794900000000, 0.0000000000000000, -0.0004555000000000 ] - [ 0.0000121700000000, 0.0000000000000000, 0.0001106500000000 ] - [ 0.0112124600000000, 0.0000000000000000, -0.0055443100000000 ] - [ 0.0000197800000000, 0.0000000000000000, 0.0014940400000000 ] - [ 0.0021866900000000, 0.0000000000000000, -0.0046868900000000 ] - [ -0.0035614400000000, 0.0000000000000000, 0.0051879100000000 ] - [ -0.0000773600000000, 0.0000000000000000, 0.0001112800000000 ] - [ 0.0005836900000000, 0.0000000000000000, 0.0001349000000000 ] - [ 0.0000303900000000, 0.0000000000000000, -0.0000054300000000 ] - [ -0.0000957500000000, 0.0000000000000000, 0.0000464000000000 ] - [ -0.0005483500000000, 0.0000000000000000, 0.0003879200000000 ] - [ -0.0002350700000000, 0.0000000000000000, 0.0000700200000000 ] - [ -0.0061049400000000, 0.0000000000000000, -0.0004485800000000 ] - [ -0.0017646700000000, 0.0000000000000000, -0.0014441400000000 ] - [ -0.0025320900000000, 0.0000000000000000, 0.0020342200000000 ] - [ -0.0121252800000000, 0.0000000000000000, -0.0052068600000000 ] - [ 0.0000226000000000, 0.0000000000000000, -0.0001218200000000 ] - [ -0.0005439400000000, 0.0000000000000000, -0.0000854800000000 ] - [ 0.0000431800000000, 0.0000000000000000, 0.0000344300000000 ] - [ 0.0001384800000000, 0.0000000000000000, 0.0000399400000000 ] - [ 0.0000809900000000, -0.0001450700000000, 0.0000429100000000 ] - [ 0.0000856500000000, 0.0000000000000000, -0.0000479700000000 ] - [ 0.0000809900000000, 0.0001450700000000, 0.0000429100000000 ] - [ -0.0008052100000000, 0.0002753900000000, -0.0002594800000000 ] - [ 0.1616569100000000, 0.0000000000000000, 0.0020031900000000 ] - [ 0.0084037100000000, 0.0000000000000000, -0.0000595400000000 ] - [ 0.0005664500000000, -0.0000659900000000, 0.0004737500000000 ] - [ -0.0123851800000000, 0.0000000000000000, 0.0062840800000000 ] - [ -0.0001749000000000, 0.0000000000000000, 0.0002371400000000 ] - [ -0.0090834400000000, 0.0114544800000000, 0.0117773700000000 ] - [ -0.0111871300000000, -0.0055620800000000, -0.0096430000000000 ] - [ 0.0012147300000000, 0.0000000000000000, -0.0027402200000000 ] - [ 0.0034810500000000, -0.0004421700000000, 0.0044348100000000 ] - [ -0.0000698900000000, 0.0000000000000000, 0.0009217800000000 ] - [ 0.0034810500000000, 0.0004421700000000, 0.0044348100000000 ] - [ -0.0002077000000000, 0.0000335800000000, 0.0000428200000000 ] - [ 0.0002545800000000, -0.0000102300000000, 0.0000142000000000 ] - [ -0.0007156600000000, 0.0000000000000000, 0.0009647300000000 ] - [ 0.0000728400000000, 0.0000000000000000, 0.0000609400000000 ] - [ 0.0000248300000000, 0.0000000000000000, 0.0000860200000000 ] - [ -0.0000361300000000, -0.0001428700000000, 0.0000627900000000 ] - [ -0.0003407600000000, 0.0000000000000000, 0.0003157000000000 ] - [ -0.0000361300000000, 0.0001428700000000, 0.0000627900000000 ] - [ 0.0005664500000000, 0.0000659900000000, 0.0004737500000000 ] - [ -0.0069188800000000, 0.0000000000000000, -0.0004344000000000 ] - [ -0.0037514500000000, 0.0000000000000000, 0.0002379100000000 ] - [ -0.0008052100000000, -0.0002753900000000, -0.0002594800000000 ] - [ 0.0037843700000000, 0.0000000000000000, -0.0054978000000000 ] - [ -0.0001617400000000, 0.0000000000000000, -0.0000853700000000 ] - [ -0.0111871300000000, 0.0055620800000000, -0.0096430000000000 ] - [ -0.0090834400000000, -0.0114544800000000, 0.0117773700000000 ] - [ -0.0008189700000000, 0.0000000000000000, 0.0031667400000000 ] - [ -0.0033688500000000, 0.0004648500000000, -0.0016399800000000 ] - [ -0.0000272500000000, 0.0000000000000000, -0.0007433700000000 ] - [ -0.0033688500000000, -0.0004648500000000, -0.0016399800000000 ] - [ 0.0002545800000000, 0.0000102300000000, 0.0000142000000000 ] - [ -0.0002077000000000, -0.0000335800000000, 0.0000428200000000 ] - [ 0.0013381700000000, 0.0000000000000000, -0.0007511500000000 ] - [ -0.0000480100000000, 0.0001411700000000, -0.0000419200000000 ] - [ -0.0001388900000000, 0.0000000000000000, 0.0001260500000000 ] - [ -0.0000122700000000, -0.0001322600000000, -0.0000525400000000 ] - [ -0.0000409200000000, 0.0000000000000000, -0.0000461700000000 ] - [ -0.0000096600000000, 0.0000000000000000, -0.0001220500000000 ] - [ -0.0003039900000000, 0.0000092600000000, 0.0000250200000000 ] - [ 0.0000587400000000, 0.0000000000000000, -0.0001645000000000 ] - [ -0.0001063400000000, -0.0000199700000000, -0.0000996800000000 ] - [ -0.0010507300000000, 0.0000000000000000, -0.0001450300000000 ] - [ -0.0003039900000000, -0.0000092600000000, 0.0000250200000000 ] - [ 0.0000361000000000, 0.0000000000000000, 0.0002317700000000 ] - [ -0.0001063400000000, 0.0000199700000000, -0.0000996800000000 ] - [ -0.0013120900000000, 0.0000000000000000, -0.0002528900000000 ] - [ -0.0051539700000000, -0.0017017100000000, -0.0032851800000000 ] - [ -0.0001228200000000, 0.0000000000000000, -0.0004143700000000 ] - [ -0.0002101300000000, -0.0001510600000000, -0.0009985300000000 ] - [ 0.0079114000000000, 0.0000000000000000, 0.0015791200000000 ] - [ 0.0029524100000000, 0.0005259100000000, 0.0010948900000000 ] - [ -0.0002413800000000, 0.0000000000000000, 0.0057435500000000 ] - [ 0.0004490500000000, -0.0002539700000000, 0.0012196300000000 ] - [ -0.0823615200000000, 0.0000000000000000, 0.0191165700000000 ] - [ 0.0018751700000000, 0.0013465000000000, -0.0045076500000000 ] - [ 0.0002350700000000, 0.0000000000000000, 0.0052411500000000 ] - [ -0.0228429600000000, -0.0311984700000000, -0.0093363500000000 ] - [ -0.0003095300000000, 0.0000000000000000, -0.0017087000000000 ] - [ 0.0028125900000000, -0.0018099400000000, 0.0048685000000000 ] - [ -0.0048554400000000, 0.0000000000000000, -0.0016903600000000 ] - [ -0.0228429600000000, 0.0311984700000000, -0.0093363500000000 ] - [ -0.0008548300000000, 0.0000000000000000, -0.0004669200000000 ] - [ -0.0001900700000000, 0.0001183500000000, -0.0002862500000000 ] - [ -0.0086327100000000, 0.0000000000000000, -0.0057118600000000 ] - [ 0.0012514500000000, 0.0001135000000000, -0.0003805800000000 ] - [ -0.0000705200000000, 0.0000000000000000, 0.0000197100000000 ] - [ -0.0001900700000000, -0.0001183500000000, -0.0002862500000000 ] - [ -0.0001142600000000, 0.0000000000000000, 0.0000874900000000 ] - [ -0.0009128600000000, 0.0001155000000000, -0.0000631800000000 ] - [ 0.0000520500000000, 0.0000000000000000, 0.0001063300000000 ] - [ 0.0001447500000000, 0.0000000000000000, -0.0001976300000000 ] - [ 0.0000727300000000, 0.0000311100000000, -0.0000612400000000 ] - [ 0.0000727300000000, -0.0000311100000000, -0.0000612400000000 ] - [ -0.0000122700000000, 0.0001322600000000, -0.0000525400000000 ] - [ -0.0000620600000000, 0.0000000000000000, 0.0000498200000000 ] - [ -0.0000480100000000, -0.0001411700000000, -0.0000419200000000 ] - [ -0.0000085500000000, 0.0000000000000000, -0.0000631300000000 ] - [ -0.0001285700000000, 0.0000000000000000, -0.0000446900000000 ] - [ 0.0001393200000000, -0.0000433000000000, -0.0000475200000000 ] - [ 0.0000908600000000, 0.0000000000000000, -0.0001640900000000 ] - [ -0.0000134900000000, 0.0000110600000000, 0.0000018500000000 ] - [ 0.0005572500000000, 0.0000000000000000, 0.0002087900000000 ] - [ 0.0001393200000000, 0.0000433000000000, -0.0000475200000000 ] - [ -0.0001176800000000, 0.0000000000000000, -0.0002249400000000 ] - [ -0.0000134900000000, -0.0000110600000000, 0.0000018500000000 ] - [ 0.0013419500000000, 0.0000000000000000, -0.0004815600000000 ] - [ 0.0029524100000000, -0.0005259100000000, 0.0010948900000000 ] - [ 0.0001335200000000, 0.0000000000000000, 0.0001932600000000 ] - [ 0.0004490500000000, 0.0002539700000000, 0.0012196300000000 ] - [ -0.0028758200000000, 0.0000000000000000, -0.0004580800000000 ] - [ -0.0051539700000000, 0.0017017100000000, -0.0032851800000000 ] - [ 0.0016970900000000, 0.0000000000000000, -0.0015585300000000 ] - [ -0.0002101300000000, 0.0001510600000000, -0.0009985300000000 ] - [ 0.0060167500000000, 0.0000000000000000, -0.0003301200000000 ] - [ 0.0028125900000000, 0.0018099400000000, 0.0048685000000000 ] - [ 0.0039117800000000, 0.0000000000000000, -0.0059414500000000 ] - [ 0.0072960400000000, 0.0022952800000000, 0.0009651100000000 ] - [ 0.0005820300000000, 0.0000000000000000, 0.0014300100000000 ] - [ 0.0018751700000000, -0.0013465000000000, -0.0045076500000000 ] - [ 0.0045934600000000, 0.0000000000000000, -0.0004108300000000 ] - [ 0.0072960400000000, -0.0022952800000000, 0.0009651100000000 ] - [ 0.0003979300000000, 0.0000000000000000, 0.0013498900000000 ] - [ 0.0002555500000000, -0.0000439800000000, 0.0002147200000000 ] - [ 0.0029261900000000, 0.0000000000000000, 0.0004987700000000 ] - [ -0.0009128600000000, -0.0001155000000000, -0.0000631800000000 ] - [ 0.0000399200000000, 0.0000000000000000, 0.0001188700000000 ] - [ 0.0002555500000000, 0.0000439800000000, 0.0002147200000000 ] - [ 0.0004500200000000, 0.0000000000000000, -0.0002885100000000 ] - [ 0.0012514500000000, -0.0001135000000000, -0.0003805800000000 ] - [ -0.0000745700000000, 0.0000000000000000, 0.0000435100000000 ] - [ -0.0001675800000000, 0.0000000000000000, 0.0000975100000000 ] - [ 0.0000205900000000, 0.0000219100000000, 0.0000325800000000 ] - [ 0.0000205900000000, -0.0000219100000000, 0.0000325800000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000327700000000, -0.0000078300000000, -0.0000768200000000 ] - [ -0.0000764100000000, 0.0000022500000000, -0.0000174900000000 ] - [ -0.0000580100000000, 0.0000769900000000, -0.0000092200000000 ] - [ -0.0000992400000000, 0.0000091200000000, 0.0000429700000000 ] - [ 0.0000304600000000, 0.0181002000000000, 0.0000344800000000 ] - [ 0.0000355200000000, 0.0013375600000000, -0.0000002600000000 ] - [ 0.0000369100000000, -0.0006562600000000, 0.0000342300000000 ] - [ 0.0000612600000000, 0.0181997300000000, -0.0000100400000000 ] - [ -0.0000240600000000, 0.0000112600000000, -0.0000381200000000 ] - [ 0.0001232100000000, 0.0001762900000000, -0.0000205400000000 ] - [ 0.0000328100000000, -0.0000060800000000, -0.0000769000000000 ] - [ -0.0000764300000000, 0.0000019200000000, -0.0000173900000000 ] - [ -0.0000592800000000, 0.0000997000000000, -0.0000084500000000 ] - [ -0.0000994400000000, 0.0000107400000000, 0.0000429300000000 ] - [ -0.0000056900000000, 0.0002941900000000, -0.0000137500000000 ] - [ 0.0000351100000000, 0.0001323900000000, -0.0000031800000000 ] - [ 0.0000249000000000, 0.0013568000000000, 0.0000185500000000 ] - [ 0.0000206700000000, -0.0005962400000000, -0.0000187300000000 ] - [ -0.0000240600000000, 0.0000057000000000, -0.0000381600000000 ] - [ 0.0001223600000000, 0.0000924400000000, -0.0000217900000000 ] - [ 0.0000620900000000, 0.0000004600000000, -0.0000168600000000 ] - [ 0.0000801700000000, 0.0000054900000000, -0.0000080200000000 ] - [ 0.0000164200000000, -0.0001491300000000, -0.0000156100000000 ] - [ -0.0001542100000000, -0.0000214600000000, 0.0000629600000000 ] - [ 0.0000190900000000, 0.0001488300000000, -0.0000102800000000 ] - [ -0.0001135800000000, 0.0000838300000000, -0.0000540500000000 ] - [ -0.0023104700000000, -0.1646889000000000, -0.0016717300000000 ] - [ -0.0000415900000000, -0.0042376300000000, 0.0000179600000000 ] - [ 0.0000617200000000, -0.0000917400000000, 0.0001225000000000 ] - [ 0.0000434200000000, -0.0041967200000000, -0.0000545600000000 ] - [ -0.0001713500000000, -0.0000038900000000, 0.0000041000000000 ] - [ -0.0050363200000000, 0.0003535400000000, 0.0008886500000000 ] - [ 0.0128030100000000, 0.0006140100000000, 0.0089933700000000 ] - [ -0.0000634900000000, -0.0004415200000000, 0.0000267900000000 ] - [ -0.0006559400000000, 0.0003880600000000, -0.0050383000000000 ] - [ -0.0000404200000000, -0.0000334200000000, -0.0000097000000000 ] - [ 0.0009328900000000, 0.0004949000000000, 0.0049736700000000 ] - [ 0.0000224700000000, 0.0000153700000000, -0.0000489600000000 ] - [ 0.0000402700000000, -0.0000157700000000, -0.0000184000000000 ] - [ 0.0000440400000000, -0.0003369400000000, -0.0000121800000000 ] - [ 0.0000623000000000, -0.0000015600000000, -0.0000164700000000 ] - [ 0.0000801800000000, 0.0000028800000000, -0.0000078600000000 ] - [ 0.0000159400000000, -0.0001490900000000, -0.0000155700000000 ] - [ -0.0001552600000000, -0.0000272100000000, 0.0000631000000000 ] - [ 0.0000192400000000, 0.0001489700000000, -0.0000103800000000 ] - [ -0.0001312100000000, 0.0000872700000000, -0.0001413300000000 ] - [ -0.0000079000000000, -0.0008634600000000, 0.0000237800000000 ] - [ -0.0000482100000000, 0.0000146700000000, 0.0000281300000000 ] - [ 0.0000414700000000, -0.0000954300000000, 0.0000333200000000 ] - [ -0.0000025300000000, 0.0095900000000000, -0.0000987300000000 ] - [ -0.0001709200000000, -0.0000073600000000, 0.0000038000000000 ] - [ -0.0127390700000000, 0.0005034300000000, -0.0090006200000000 ] - [ 0.0050539200000000, 0.0005163400000000, -0.0008969400000000 ] - [ -0.0000668200000000, -0.0003337300000000, 0.0000275000000000 ] - [ 0.0005451100000000, -0.0000070300000000, 0.0003398400000000 ] - [ -0.0000399900000000, 0.0000401100000000, -0.0000069700000000 ] - [ -0.0002764500000000, 0.0000246500000000, -0.0003772100000000 ] - [ 0.0000120400000000, 0.0000146800000000, -0.0000670200000000 ] - [ 0.0000298500000000, -0.0000145700000000, -0.0000367300000000 ] - [ 0.0000443400000000, -0.0004412100000000, -0.0000150100000000 ] - [ -0.0000252900000000, 0.0001341400000000, -0.0000019700000000 ] - [ -0.0001008000000000, 0.0000014700000000, 0.0001422200000000 ] - [ -0.0000249300000000, -0.0001338600000000, -0.0000030100000000 ] - [ -0.0000303300000000, -0.0000005200000000, -0.0000083200000000 ] - [ -0.0000743400000000, -0.0000018000000000, -0.0000393200000000 ] - [ -0.0000610800000000, -0.0000084200000000, 0.0000231200000000 ] - [ 0.0000728400000000, 0.0000002300000000, -0.0001159500000000 ] - [ -0.0000575600000000, -0.0000012600000000, -0.0000155000000000 ] - [ -0.0001521400000000, 0.0001513300000000, 0.0000775400000000 ] - [ -0.0000650200000000, 0.0000120700000000, 0.0000657500000000 ] - [ -0.0000460700000000, 0.0000308100000000, 0.0000110400000000 ] - [ -0.0000577400000000, 0.0000002400000000, -0.0000105800000000 ] - [ -0.0000315300000000, -0.0001752800000000, -0.0000308800000000 ] - [ 0.0024118600000000, -0.0005725100000000, -0.0030387000000000 ] - [ -0.0000226000000000, -0.0000306100000000, -0.0000479000000000 ] - [ 0.0001540700000000, 0.0001046800000000, -0.0002650300000000 ] - [ 0.0000620600000000, 0.0048871300000000, 0.0000117500000000 ] - [ 0.0000580400000000, 0.0000778400000000, 0.0000220000000000 ] - [ -0.0000187400000000, 0.0049341600000000, 0.0000244200000000 ] - [ 0.0001583300000000, -0.0001835200000000, 0.0002514100000000 ] - [ 0.0001259700000000, 0.0064830900000000, -0.0000653000000000 ] - [ -0.0020732300000000, -0.0005267500000000, 0.0032849700000000 ] - [ -0.0000811600000000, -0.0058958300000000, -0.0000636200000000 ] - [ 0.0285245600000000, 0.0661207400000000, 0.0206664600000000 ] - [ 0.0001270800000000, -0.0003422700000000, -0.0000233900000000 ] - [ 0.0012047800000000, -0.0005552300000000, 0.0008172400000000 ] - [ 0.0000070700000000, -0.0064278900000000, 0.0000918400000000 ] - [ -0.0264268500000000, 0.0629439400000000, -0.0190069600000000 ] - [ 0.0000467700000000, -0.0000101500000000, 0.0000019600000000 ] - [ 0.0000055900000000, 0.0000088900000000, 0.0000349900000000 ] - [ 0.0000171100000000, 0.0063871400000000, 0.0002519600000000 ] - [ -0.0001028500000000, 0.0000569300000000, 0.0002208300000000 ] - [ -0.0000170700000000, -0.0000009400000000, 0.0001261500000000 ] - [ 0.0000334800000000, -0.0000265700000000, -0.0000328200000000 ] - [ 0.0001611100000000, -0.0000675700000000, -0.0000389500000000 ] - [ -0.0004706700000000, 0.0002904700000000, -0.0007517500000000 ] - [ -0.0000086000000000, -0.0000011900000000, 0.0001130000000000 ] - [ 0.0000179900000000, 0.0000152200000000, -0.0000109800000000 ] - [ 0.0000466700000000, 0.0000241200000000, 0.0000348800000000 ] - [ 0.0000493000000000, -0.0000253100000000, 0.0000270000000000 ] - [ -0.0000253100000000, 0.0001340600000000, -0.0000025500000000 ] - [ -0.0001007900000000, 0.0000017800000000, 0.0001418700000000 ] - [ -0.0000249300000000, -0.0001338500000000, -0.0000035300000000 ] - [ -0.0000301400000000, 0.0000002700000000, -0.0000084500000000 ] - [ -0.0000745700000000, -0.0000012600000000, -0.0000391700000000 ] - [ -0.0000486600000000, -0.0000101100000000, 0.0000244600000000 ] - [ 0.0000729000000000, -0.0000005900000000, -0.0001159600000000 ] - [ -0.0000580600000000, -0.0000016100000000, -0.0000168400000000 ] - [ -0.0001502800000000, 0.0000086600000000, 0.0000779300000000 ] - [ -0.0000762400000000, 0.0000112200000000, 0.0000647400000000 ] - [ -0.0000464300000000, 0.0000258000000000, 0.0000105100000000 ] - [ -0.0000570500000000, -0.0000003400000000, -0.0000091100000000 ] - [ -0.0000288100000000, -0.0000104300000000, -0.0000307100000000 ] - [ -0.0000752200000000, -0.0000448100000000, -0.0001574000000000 ] - [ -0.0000224300000000, -0.0000427900000000, -0.0000472300000000 ] - [ -0.0001411200000000, 0.0000399000000000, -0.0002149800000000 ] - [ 0.0001107700000000, -0.0063249300000000, -0.0000094200000000 ] - [ -0.0024228500000000, -0.0004652500000000, 0.0028830400000000 ] - [ -0.0000110800000000, -0.0003214800000000, 0.0000203700000000 ] - [ -0.0001372000000000, -0.0001166600000000, 0.0002960900000000 ] - [ -0.0000709500000000, -0.0058236100000000, 0.0000106300000000 ] - [ -0.0012577400000000, -0.0005532100000000, -0.0008875700000000 ] - [ -0.0000835400000000, -0.0000370200000000, -0.0000696100000000 ] - [ 0.0006453100000000, 0.0002631800000000, 0.0003409000000000 ] - [ 0.0001311900000000, 0.0002882400000000, -0.0000301300000000 ] - [ 0.0020026300000000, -0.0005708700000000, -0.0033408700000000 ] - [ 0.0000115400000000, 0.0004230400000000, 0.0000394800000000 ] - [ -0.0005723200000000, 0.0002750500000000, -0.0001376600000000 ] - [ 0.0000405000000000, -0.0002366000000000, 0.0000089600000000 ] - [ -0.0000035800000000, 0.0000198900000000, 0.0000084000000000 ] - [ 0.0000250900000000, -0.0003866200000000, 0.0000144800000000 ] - [ 0.0006916700000000, 0.0003946500000000, 0.0007056400000000 ] - [ -0.0000172200000000, 0.0000010600000000, 0.0001259200000000 ] - [ 0.0000420100000000, -0.0000165000000000, -0.0000061700000000 ] - [ 0.0001601600000000, -0.0000126700000000, -0.0000386100000000 ] - [ 0.0003240300000000, -0.0000634500000000, -0.0002629600000000 ] - [ -0.0000085500000000, 0.0000011800000000, 0.0001130400000000 ] - [ 0.0000175200000000, 0.0000792300000000, -0.0000110500000000 ] - [ 0.0000509500000000, 0.0000246900000000, 0.0000398100000000 ] - [ 0.0000451300000000, -0.0000249900000000, 0.0000218200000000 ]- atom: 27 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0000867600000000, 0.0000000000000000, 0.0014084600000000 ] - [ -0.0002151100000000, 0.0000000000000000, 0.0014218700000000 ] - [ 0.0002144900000000, 0.0000000000000000, 0.0016366700000000 ] - [ -0.0000691400000000, 0.0000000000000000, 0.0017320700000000 ] - [ -0.0020462500000000, 0.0000000000000000, 0.0022853000000000 ] - [ -0.0016521800000000, 0.0000000000000000, 0.0024511100000000 ] - [ 0.0094706800000000, 0.0000000000000000, 0.0066693200000000 ] - [ 0.0007123100000000, 0.0000000000000000, -0.0146106500000000 ] - [ -0.0002371600000000, 0.0000000000000000, 0.0015666500000000 ] - [ 0.0001614500000000, 0.0000000000000000, 0.0031619500000000 ] - [ -0.0001247300000000, 0.0000000000000000, 0.0014537500000000 ] - [ -0.0002259400000000, 0.0000000000000000, 0.0014012900000000 ] - [ -0.0002575400000000, 0.0000000000000000, 0.0012680800000000 ] - [ -0.0000083900000000, 0.0000000000000000, 0.0015982500000000 ] - [ 0.0006875300000000, 0.0000000000000000, -0.0014658500000000 ] - [ 0.0020838500000000, 0.0000000000000000, 0.0017651000000000 ] - [ -0.0016350400000000, 0.0000000000000000, -0.0002978700000000 ] - [ 0.0016269300000000, 0.0000000000000000, -0.0080639300000000 ] - [ 0.0004042900000000, 0.0000000000000000, 0.0012862600000000 ] - [ 0.0003061000000000, 0.0000000000000000, 0.0008487000000000 ] - [ 0.0000128200000000, 0.0000000000000000, 0.0021576800000000 ] - [ 0.0002350700000000, 0.0000000000000000, 0.0026159100000000 ] - [ 0.0002102300000000, -0.0000750500000000, 0.0022583100000000 ] - [ -0.0000868200000000, 0.0000000000000000, 0.0025146100000000 ] - [ 0.0002102300000000, 0.0000750500000000, 0.0022583100000000 ] - [ 0.0004201600000000, 0.0000213700000000, 0.0019307900000000 ] - [ -0.0260865200000000, 0.0000000000000000, -0.1597935700000000 ] - [ -0.0012321500000000, 0.0000000000000000, 0.0120830800000000 ] - [ -0.0003946000000000, 0.0001655000000000, 0.0026000400000000 ] - [ -0.0045362300000000, 0.0000000000000000, -0.0108740200000000 ] - [ -0.0002885300000000, 0.0000000000000000, 0.0023844500000000 ] - [ -0.0069242300000000, 0.0028496300000000, -0.0017119100000000 ] - [ 0.0109939400000000, 0.0044987100000000, 0.0019404500000000 ] - [ 0.0004797700000000, 0.0000000000000000, 0.0026406100000000 ] - [ -0.0083028900000000, -0.0119740800000000, 0.0111197300000000 ] - [ -0.0009491400000000, 0.0000000000000000, 0.0024912000000000 ] - [ -0.0083028900000000, 0.0119740800000000, 0.0111197300000000 ] - [ -0.0000641000000000, -0.0001579800000000, 0.0019332400000000 ] - [ 0.0001069100000000, 0.0002546300000000, 0.0025598200000000 ] - [ -0.0029577800000000, 0.0000000000000000, 0.0014631300000000 ] - [ -0.0000336200000000, 0.0000000000000000, 0.0023275600000000 ] - [ 0.0001256300000000, 0.0000000000000000, 0.0024439900000000 ] - [ 0.0001691000000000, -0.0000639300000000, 0.0021889300000000 ] - [ -0.0003861700000000, 0.0000000000000000, 0.0023577400000000 ] - [ 0.0001691000000000, 0.0000639300000000, 0.0021889300000000 ] - [ -0.0003946000000000, -0.0001655000000000, 0.0026000400000000 ] - [ 0.0014594100000000, 0.0000000000000000, -0.0073933200000000 ] - [ 0.0002905300000000, 0.0000000000000000, 0.0007233100000000 ] - [ 0.0004201600000000, -0.0000213700000000, 0.0019307900000000 ] - [ 0.0049596800000000, 0.0000000000000000, -0.0105712400000000 ] - [ -0.0001919900000000, 0.0000000000000000, 0.0023450200000000 ] - [ 0.0109939400000000, -0.0044987100000000, 0.0019404500000000 ] - [ -0.0069242300000000, -0.0028496300000000, -0.0017119100000000 ] - [ -0.0009205000000000, 0.0000000000000000, 0.0011864700000000 ] - [ 0.0019787500000000, -0.0000770200000000, -0.0014780100000000 ] - [ 0.0006789200000000, 0.0000000000000000, 0.0014852100000000 ] - [ 0.0019787500000000, 0.0000770200000000, -0.0014780100000000 ] - [ 0.0001069100000000, -0.0002546300000000, 0.0025598200000000 ] - [ -0.0000641000000000, 0.0001579800000000, 0.0019332400000000 ] - [ 0.0026079800000000, 0.0000000000000000, 0.0023021900000000 ] - [ -0.0001899800000000, 0.0001797100000000, -0.0015223800000000 ] - [ -0.0000483300000000, 0.0000000000000000, -0.0018827200000000 ] - [ -0.0001527700000000, -0.0001701200000000, -0.0014392200000000 ] - [ 0.0000828400000000, 0.0000000000000000, -0.0015766100000000 ] - [ 0.0001744500000000, 0.0000000000000000, -0.0014136700000000 ] - [ -0.0003363200000000, 0.0001869000000000, -0.0014867800000000 ] - [ 0.0000907200000000, 0.0000000000000000, -0.0017106000000000 ] - [ -0.0001990500000000, -0.0001128200000000, -0.0013872100000000 ] - [ 0.0000480700000000, 0.0000000000000000, -0.0031475400000000 ] - [ -0.0003363200000000, -0.0001869000000000, -0.0014867800000000 ] - [ 0.0000406200000000, 0.0000000000000000, -0.0013619300000000 ] - [ -0.0001990500000000, 0.0001128200000000, -0.0013872100000000 ] - [ 0.0001416900000000, 0.0000000000000000, -0.0019299400000000 ] - [ 0.0031345300000000, -0.0019402100000000, -0.0027152000000000 ] - [ 0.0001808100000000, 0.0000000000000000, -0.0019732500000000 ] - [ 0.0005108600000000, 0.0000826200000000, -0.0012354700000000 ] - [ -0.0041345500000000, 0.0000000000000000, 0.0058379200000000 ] - [ -0.0011827000000000, -0.0001571800000000, 0.0000916000000000 ] - [ -0.0040660700000000, 0.0000000000000000, -0.0036956700000000 ] - [ -0.0006910700000000, -0.0001288700000000, -0.0015779300000000 ] - [ -0.0087176400000000, 0.0000000000000000, 0.0124334300000000 ] - [ 0.0053300500000000, 0.0018871800000000, 0.0047850400000000 ] - [ -0.0014283500000000, 0.0000000000000000, -0.0015259600000000 ] - [ 0.0132074500000000, 0.0274644600000000, 0.0198224700000000 ] - [ 0.0013279200000000, 0.0000000000000000, -0.0008566100000000 ] - [ -0.0048346400000000, 0.0017623100000000, 0.0022925900000000 ] - [ 0.0002998800000000, 0.0000000000000000, 0.0045210500000000 ] - [ 0.0132074500000000, -0.0274644600000000, 0.0198224700000000 ] - [ 0.0046285900000000, 0.0000000000000000, -0.0048036400000000 ] - [ 0.0000514900000000, 0.0000319300000000, -0.0017439000000000 ] - [ 0.0084515800000000, 0.0000000000000000, 0.0869329100000000 ] - [ 0.0009587900000000, 0.0003373200000000, 0.0002437900000000 ] - [ 0.0000690000000000, 0.0000000000000000, -0.0018493700000000 ] - [ 0.0000514900000000, -0.0000319300000000, -0.0017439000000000 ] - [ -0.0001031600000000, 0.0000000000000000, -0.0016827400000000 ] - [ -0.0024540600000000, 0.0022841100000000, -0.0044087500000000 ] - [ 0.0000754600000000, 0.0000000000000000, -0.0012803100000000 ] - [ 0.0005897900000000, 0.0000000000000000, -0.0018605100000000 ] - [ 0.0000381900000000, 0.0000174100000000, -0.0013710700000000 ] - [ 0.0000381900000000, -0.0000174100000000, -0.0013710700000000 ] - [ -0.0001527700000000, 0.0001701200000000, -0.0014392200000000 ] - [ 0.0000010400000000, 0.0000000000000000, -0.0017844000000000 ] - [ -0.0001899800000000, -0.0001797100000000, -0.0015223800000000 ] - [ 0.0001640600000000, 0.0000000000000000, -0.0015610100000000 ] - [ 0.0001207900000000, 0.0000000000000000, -0.0014722000000000 ] - [ -0.0001554000000000, 0.0001065700000000, -0.0011877000000000 ] - [ 0.0001363300000000, 0.0000000000000000, -0.0016918000000000 ] - [ -0.0002208200000000, -0.0001146600000000, -0.0013518800000000 ] - [ -0.0001945600000000, 0.0000000000000000, -0.0010892600000000 ] - [ -0.0001554000000000, -0.0001065700000000, -0.0011877000000000 ] - [ 0.0004013900000000, 0.0000000000000000, -0.0015090400000000 ] - [ -0.0002208200000000, 0.0001146600000000, -0.0013518800000000 ] - [ -0.0000358400000000, 0.0000000000000000, -0.0009046200000000 ] - [ -0.0011827000000000, 0.0001571800000000, 0.0000916000000000 ] - [ -0.0000658600000000, 0.0000000000000000, -0.0019307100000000 ] - [ -0.0006910700000000, 0.0001288700000000, -0.0015779300000000 ] - [ 0.0025522500000000, 0.0000000000000000, 0.0069210600000000 ] - [ 0.0031345300000000, 0.0019402100000000, -0.0027152000000000 ] - [ 0.0011650400000000, 0.0000000000000000, 0.0006363000000000 ] - [ 0.0005108600000000, -0.0000826200000000, -0.0012354700000000 ] - [ -0.0047105300000000, 0.0000000000000000, 0.0039499900000000 ] - [ -0.0048346400000000, -0.0017623100000000, 0.0022925900000000 ] - [ 0.0009312200000000, 0.0000000000000000, 0.0006877300000000 ] - [ 0.0007293600000000, 0.0007190900000000, 0.0032692400000000 ] - [ -0.0010644600000000, 0.0000000000000000, -0.0003046500000000 ] - [ 0.0053300500000000, -0.0018871800000000, 0.0047850400000000 ] - [ -0.0006906000000000, 0.0000000000000000, 0.0030005800000000 ] - [ 0.0007293600000000, -0.0007190900000000, 0.0032692400000000 ] - [ -0.0015030300000000, 0.0000000000000000, 0.0001170300000000 ] - [ -0.0002432900000000, 0.0001119700000000, -0.0009345400000000 ] - [ -0.0004178800000000, 0.0000000000000000, 0.0042657200000000 ] - [ -0.0024540600000000, -0.0022841100000000, -0.0044087500000000 ] - [ 0.0000248300000000, 0.0000000000000000, -0.0015570400000000 ] - [ -0.0002432900000000, -0.0001119700000000, -0.0009345400000000 ] - [ 0.0006997900000000, 0.0000000000000000, -0.0011339700000000 ] - [ 0.0009587900000000, -0.0003373200000000, 0.0002437900000000 ] - [ 0.0000769800000000, 0.0000000000000000, -0.0015270900000000 ] - [ -0.0003090000000000, 0.0000000000000000, -0.0026806200000000 ] - [ -0.0002181500000000, -0.0000265000000000, -0.0014904800000000 ] - [ -0.0002181500000000, 0.0000265000000000, -0.0014904800000000 ]- atom: 27 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0000187400000000, 0.0000000000000000, -0.0015644400000000 ] - [ 0.0000563400000000, 0.0000000000000000, -0.0014520200000000 ] - [ -0.0003287400000000, 0.0000000000000000, -0.0016522100000000 ] - [ -0.0001298200000000, 0.0000000000000000, -0.0016441000000000 ] - [ 0.0020527900000000, 0.0000000000000000, -0.0023723400000000 ] - [ 0.0017102600000000, 0.0000000000000000, -0.0024459000000000 ] - [ -0.0094537000000000, 0.0000000000000000, -0.0067225400000000 ] - [ -0.0007241200000000, 0.0000000000000000, 0.0146022300000000 ] - [ 0.0001855700000000, 0.0000000000000000, -0.0016429700000000 ] - [ 0.0000827500000000, 0.0000000000000000, -0.0032053200000000 ] - [ 0.0001926700000000, 0.0000000000000000, -0.0016107900000000 ] - [ 0.0000664100000000, 0.0000000000000000, -0.0014320100000000 ] - [ 0.0001396000000000, 0.0000000000000000, -0.0012865300000000 ] - [ -0.0001904400000000, 0.0000000000000000, -0.0015111800000000 ] - [ -0.0006959200000000, 0.0000000000000000, 0.0014261300000000 ] - [ -0.0019947600000000, 0.0000000000000000, -0.0017653800000000 ] - [ 0.0016822300000000, 0.0000000000000000, 0.0003340500000000 ] - [ -0.0016199700000000, 0.0000000000000000, 0.0080463500000000 ] - [ -0.0004558400000000, 0.0000000000000000, -0.0013624600000000 ] - [ -0.0000625600000000, 0.0000000000000000, -0.0008916000000000 ] - [ 0.0001054400000000, 0.0000000000000000, -0.0021928200000000 ] - [ -0.0000705800000000, 0.0000000000000000, -0.0026302600000000 ] - [ -0.0001717600000000, -0.0002221300000000, -0.0022819600000000 ] - [ -0.0002238500000000, 0.0000000000000000, -0.0023869900000000 ] - [ -0.0001717600000000, 0.0002221300000000, -0.0022819600000000 ] - [ -0.0004884300000000, 0.0001576700000000, -0.0019523100000000 ] - [ 0.0256045700000000, 0.0000000000000000, 0.1662652300000000 ] - [ 0.0011238400000000, 0.0000000000000000, -0.0119295800000000 ] - [ 0.0003211400000000, -0.0003422400000000, -0.0026165200000000 ] - [ 0.0046231200000000, 0.0000000000000000, 0.0107954200000000 ] - [ -0.0000517900000000, 0.0000000000000000, -0.0023740500000000 ] - [ 0.0069620300000000, -0.0029576100000000, 0.0016212800000000 ] - [ -0.0109145200000000, -0.0043584900000000, -0.0020101400000000 ] - [ -0.0006004300000000, 0.0000000000000000, -0.0025866400000000 ] - [ 0.0086146600000000, 0.0119948500000000, -0.0112757300000000 ] - [ 0.0008691500000000, 0.0000000000000000, -0.0025069400000000 ] - [ 0.0086146600000000, -0.0119948500000000, -0.0112757300000000 ] - [ 0.0001147800000000, 0.0001852900000000, -0.0020179900000000 ] - [ -0.0000564900000000, -0.0002816400000000, -0.0026447400000000 ] - [ 0.0030544800000000, 0.0000000000000000, -0.0014861900000000 ] - [ 0.0001516800000000, 0.0000000000000000, -0.0023628300000000 ] - [ 0.0000389300000000, 0.0000000000000000, -0.0024584700000000 ] - [ -0.0001306900000000, -0.0002332300000000, -0.0022128300000000 ] - [ 0.0000733200000000, 0.0000000000000000, -0.0022310200000000 ] - [ -0.0001306900000000, 0.0002332300000000, -0.0022128300000000 ] - [ 0.0003211400000000, 0.0003422400000000, -0.0026165200000000 ] - [ -0.0014612200000000, 0.0000000000000000, 0.0074555300000000 ] - [ -0.0003812600000000, 0.0000000000000000, -0.0006790000000000 ] - [ -0.0004884300000000, -0.0001576700000000, -0.0019523100000000 ] - [ -0.0048572600000000, 0.0000000000000000, 0.0105185900000000 ] - [ -0.0001472700000000, 0.0000000000000000, -0.0023349100000000 ] - [ -0.0109145200000000, 0.0043584900000000, -0.0020101400000000 ] - [ 0.0069620300000000, 0.0029576100000000, 0.0016212800000000 ] - [ 0.0007895700000000, 0.0000000000000000, -0.0011358400000000 ] - [ -0.0017192100000000, 0.0000489600000000, 0.0014388000000000 ] - [ -0.0007600200000000, 0.0000000000000000, -0.0015002900000000 ] - [ -0.0017192100000000, -0.0000489600000000, 0.0014388000000000 ] - [ -0.0000564900000000, 0.0002816400000000, -0.0026447400000000 ] - [ 0.0001147800000000, -0.0001852900000000, -0.0020179900000000 ] - [ -0.0025139700000000, 0.0000000000000000, -0.0023303500000000 ] - [ 0.0001391500000000, 0.0000913600000000, 0.0015105700000000 ] - [ -0.0001515600000000, 0.0000000000000000, 0.0021702000000000 ] - [ 0.0001019900000000, -0.0001009900000000, 0.0014272500000000 ] - [ -0.0001394800000000, 0.0000000000000000, 0.0015544400000000 ] - [ -0.0003276500000000, 0.0000000000000000, 0.0013376400000000 ] - [ 0.0002103900000000, -0.0002087800000000, 0.0015743700000000 ] - [ 0.0000569100000000, 0.0000000000000000, 0.0014693100000000 ] - [ 0.0000861700000000, 0.0001132100000000, 0.0013632800000000 ] - [ -0.0003503700000000, 0.0000000000000000, 0.0032911400000000 ] - [ 0.0002103900000000, 0.0002087800000000, 0.0015743700000000 ] - [ -0.0001334200000000, 0.0000000000000000, 0.0013833800000000 ] - [ 0.0000861700000000, -0.0001132100000000, 0.0013632800000000 ] - [ -0.0002064700000000, 0.0000000000000000, 0.0018669100000000 ] - [ -0.0031257500000000, 0.0017983600000000, 0.0025805300000000 ] - [ -0.0002245300000000, 0.0000000000000000, 0.0018714500000000 ] - [ -0.0004884800000000, 0.0001397300000000, 0.0012701000000000 ] - [ 0.0042714300000000, 0.0000000000000000, -0.0058003800000000 ] - [ 0.0011568800000000, 0.0002786700000000, -0.0002199300000000 ] - [ 0.0039866400000000, 0.0000000000000000, 0.0037334700000000 ] - [ 0.0007058100000000, -0.0000966100000000, 0.0016114700000000 ] - [ 0.0087980000000000, 0.0000000000000000, -0.0125550300000000 ] - [ -0.0054030000000000, -0.0018683000000000, -0.0048717100000000 ] - [ 0.0012679200000000, 0.0000000000000000, 0.0014047000000000 ] - [ -0.0129823800000000, -0.0270627900000000, -0.0197546300000000 ] - [ -0.0010707800000000, 0.0000000000000000, 0.0007975500000000 ] - [ 0.0048178400000000, -0.0018056200000000, -0.0023677300000000 ] - [ -0.0002835400000000, 0.0000000000000000, -0.0044524000000000 ] - [ -0.0129823800000000, 0.0270627900000000, -0.0197546300000000 ] - [ -0.0045347500000000, 0.0000000000000000, 0.0048221200000000 ] - [ -0.0000127900000000, 0.0000020500000000, 0.0017474600000000 ] - [ -0.0085541600000000, 0.0000000000000000, -0.0925800400000000 ] - [ -0.0007371500000000, -0.0002241200000000, -0.0002871400000000 ] - [ -0.0001038200000000, 0.0000000000000000, 0.0020981200000000 ] - [ -0.0000127900000000, -0.0000020500000000, 0.0017474600000000 ] - [ 0.0004265700000000, 0.0000000000000000, 0.0016048100000000 ] - [ 0.0026696700000000, -0.0023888300000000, 0.0043689000000000 ] - [ -0.0000987400000000, 0.0000000000000000, 0.0015033800000000 ] - [ -0.0005502400000000, 0.0000000000000000, 0.0018435500000000 ] - [ 0.0000610000000000, 0.0000340100000000, 0.0014273000000000 ] - [ 0.0000610000000000, -0.0000340100000000, 0.0014273000000000 ] - [ 0.0001019900000000, 0.0001009900000000, 0.0014272500000000 ] - [ -0.0002006000000000, 0.0000000000000000, 0.0020724500000000 ] - [ 0.0001391500000000, -0.0000913600000000, 0.0015105700000000 ] - [ -0.0002208500000000, 0.0000000000000000, 0.0015389300000000 ] - [ -0.0002743400000000, 0.0000000000000000, 0.0013959500000000 ] - [ 0.0000311500000000, -0.0001289700000000, 0.0012775200000000 ] - [ 0.0000113800000000, 0.0000000000000000, 0.0014504800000000 ] - [ 0.0001071100000000, 0.0001152700000000, 0.0013287500000000 ] - [ -0.0001089900000000, 0.0000000000000000, 0.0012519900000000 ] - [ 0.0000311500000000, 0.0001289700000000, 0.0012775200000000 ] - [ -0.0004915300000000, 0.0000000000000000, 0.0015289000000000 ] - [ 0.0001071100000000, -0.0001152700000000, 0.0013287500000000 ] - [ -0.0000277200000000, 0.0000000000000000, 0.0008472900000000 ] - [ 0.0011568800000000, -0.0002786700000000, -0.0002199300000000 ] - [ 0.0000205300000000, 0.0000000000000000, 0.0018295800000000 ] - [ 0.0007058100000000, 0.0000966100000000, 0.0016114700000000 ] - [ -0.0024403600000000, 0.0000000000000000, -0.0068826500000000 ] - [ -0.0031257500000000, -0.0017983600000000, 0.0025805300000000 ] - [ -0.0011930700000000, 0.0000000000000000, -0.0005734400000000 ] - [ -0.0004884800000000, -0.0001397300000000, 0.0012701000000000 ] - [ 0.0045674500000000, 0.0000000000000000, -0.0039177300000000 ] - [ 0.0048178400000000, 0.0018056200000000, -0.0023677300000000 ] - [ -0.0010936500000000, 0.0000000000000000, -0.0008165800000000 ] - [ -0.0006734600000000, -0.0007273700000000, -0.0030699500000000 ] - [ 0.0013281700000000, 0.0000000000000000, 0.0002464900000000 ] - [ -0.0054030000000000, 0.0018683000000000, -0.0048717100000000 ] - [ 0.0007192400000000, 0.0000000000000000, -0.0029280900000000 ] - [ -0.0006734600000000, 0.0007273700000000, -0.0030699500000000 ] - [ 0.0015890000000000, 0.0000000000000000, -0.0000927600000000 ] - [ 0.0002824000000000, -0.0000781700000000, 0.0009375200000000 ] - [ 0.0004748200000000, 0.0000000000000000, -0.0042425600000000 ] - [ 0.0026696700000000, 0.0023888300000000, 0.0043689000000000 ] - [ -0.0000595400000000, 0.0000000000000000, 0.0018058400000000 ] - [ 0.0002824000000000, 0.0000781700000000, 0.0009375200000000 ] - [ -0.0003771900000000, 0.0000000000000000, 0.0010554700000000 ] - [ -0.0007371500000000, 0.0002241200000000, -0.0002871400000000 ] - [ -0.0001005300000000, 0.0000000000000000, 0.0017504500000000 ] - [ 0.0003480500000000, 0.0000000000000000, 0.0026635400000000 ] - [ 0.0003175400000000, 0.0000779500000000, 0.0015465000000000 ] - [ 0.0003175400000000, -0.0000779500000000, 0.0015465000000000 ]- atom: 28 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0000241800000000, 0.0000000000000000, -0.0001298700000000 ] - [ -0.0001237400000000, 0.0000000000000000, 0.0000657400000000 ] - [ -0.0021940000000000, 0.0000000000000000, 0.0047129900000000 ] - [ -0.0005576500000000, 0.0000000000000000, -0.0001106000000000 ] - [ -0.0112682500000000, 0.0000000000000000, 0.0055793600000000 ] - [ 0.0036415300000000, 0.0000000000000000, -0.0052375900000000 ] - [ -0.0005232800000000, 0.0000000000000000, 0.0004658200000000 ] - [ 0.0000282700000000, 0.0000000000000000, -0.0015480000000000 ] - [ -0.0000097000000000, 0.0000000000000000, -0.0001005700000000 ] - [ 0.0000090700000000, 0.0000000000000000, -0.0000902700000000 ] - [ 0.0000398400000000, 0.0000000000000000, -0.0001102400000000 ] - [ -0.0000142300000000, 0.0000000000000000, -0.0001684500000000 ] - [ 0.0024825600000000, 0.0000000000000000, -0.0020017900000000 ] - [ 0.0005595500000000, 0.0000000000000000, 0.0001097000000000 ] - [ 0.0061097000000000, 0.0000000000000000, 0.0004262300000000 ] - [ 0.0121637900000000, 0.0000000000000000, 0.0051783600000000 ] - [ 0.0005146500000000, 0.0000000000000000, -0.0003775600000000 ] - [ 0.0018202000000000, 0.0000000000000000, 0.0014307600000000 ] - [ -0.0000370300000000, 0.0000000000000000, -0.0000538900000000 ] - [ 0.0002580800000000, 0.0000000000000000, -0.0000489700000000 ] - [ 0.0000658500000000, 0.0000000000000000, -0.0001240400000000 ] - [ 0.0000261500000000, 0.0000000000000000, -0.0000559100000000 ] - [ -0.0002178700000000, -0.0001523200000000, -0.0000696200000000 ] - [ -0.0014343700000000, 0.0000000000000000, 0.0007895900000000 ] - [ -0.0002178700000000, 0.0001523200000000, -0.0000696200000000 ] - [ 0.0034557700000000, -0.0003905300000000, 0.0016007900000000 ] - [ -0.0084486200000000, 0.0000000000000000, 0.0000884100000000 ] - [ -0.1640733600000000, 0.0000000000000000, -0.0017185100000000 ] - [ -0.0033668400000000, -0.0005208900000000, -0.0044882400000000 ] - [ 0.0008132700000000, 0.0000000000000000, -0.0032018300000000 ] - [ -0.0001409500000000, 0.0000000000000000, -0.0009218900000000 ] - [ 0.0112543900000000, -0.0056832000000000, 0.0096357300000000 ] - [ 0.0091903500000000, 0.0115488200000000, -0.0118462100000000 ] - [ -0.0038117900000000, 0.0000000000000000, 0.0055073700000000 ] - [ -0.0004652200000000, 0.0000083600000000, -0.0005031900000000 ] - [ -0.0000359800000000, 0.0000000000000000, -0.0002408800000000 ] - [ -0.0004652200000000, -0.0000083600000000, -0.0005031900000000 ] - [ 0.0000814900000000, 0.0000137400000000, -0.0001178500000000 ] - [ -0.0000334500000000, -0.0000136700000000, -0.0000973500000000 ] - [ 0.0002346900000000, 0.0000000000000000, -0.0002657200000000 ] - [ 0.0000489100000000, 0.0000000000000000, -0.0000396100000000 ] - [ 0.0001357900000000, 0.0000000000000000, -0.0000937600000000 ] - [ 0.0002495200000000, -0.0001741000000000, -0.0000991000000000 ] - [ 0.0005991200000000, 0.0000000000000000, -0.0009021400000000 ] - [ 0.0002495200000000, 0.0001741000000000, -0.0000991000000000 ] - [ -0.0033668400000000, 0.0005208900000000, -0.0044882400000000 ] - [ 0.0037055400000000, 0.0000000000000000, -0.0001750600000000 ] - [ 0.0068925200000000, 0.0000000000000000, 0.0004642600000000 ] - [ 0.0034557700000000, 0.0003905300000000, 0.0016007900000000 ] - [ -0.0012330700000000, 0.0000000000000000, 0.0027182300000000 ] - [ -0.0001833100000000, 0.0000000000000000, 0.0007372500000000 ] - [ 0.0091903500000000, -0.0115488200000000, -0.0118462100000000 ] - [ 0.0112543900000000, 0.0056832000000000, 0.0096357300000000 ] - [ 0.0123638000000000, 0.0000000000000000, -0.0063690900000000 ] - [ 0.0009065300000000, -0.0001982200000000, 0.0002339900000000 ] - [ -0.0000512100000000, 0.0000000000000000, 0.0000852500000000 ] - [ 0.0009065300000000, 0.0001982200000000, 0.0002339900000000 ] - [ -0.0000334500000000, 0.0000136700000000, -0.0000973500000000 ] - [ 0.0000814900000000, -0.0000137400000000, -0.0001178500000000 ] - [ -0.0001983300000000, 0.0000000000000000, 0.0001040900000000 ] - [ 0.0000030200000000, 0.0001354500000000, -0.0000052300000000 ] - [ 0.0000871400000000, 0.0000000000000000, 0.0000462900000000 ] - [ -0.0000476100000000, -0.0001395100000000, 0.0000814400000000 ] - [ 0.0000285500000000, 0.0000000000000000, 0.0000584300000000 ] - [ -0.0003652300000000, 0.0000000000000000, 0.0002099600000000 ] - [ 0.0009541500000000, -0.0001716700000000, 0.0000887000000000 ] - [ 0.0001365300000000, 0.0000000000000000, -0.0000237500000000 ] - [ 0.0001455000000000, 0.0001005200000000, 0.0002762800000000 ] - [ 0.0086648400000000, 0.0000000000000000, 0.0056529600000000 ] - [ 0.0009541500000000, 0.0001716700000000, 0.0000887000000000 ] - [ -0.0003846500000000, 0.0000000000000000, -0.0013304600000000 ] - [ 0.0001455000000000, -0.0001005200000000, 0.0002762800000000 ] - [ 0.0048190100000000, 0.0000000000000000, 0.0017089500000000 ] - [ 0.0231316400000000, -0.0319335500000000, 0.0093086900000000 ] - [ 0.0004131200000000, 0.0000000000000000, 0.0016203200000000 ] - [ -0.0018738600000000, 0.0014202300000000, 0.0044586200000000 ] - [ -0.0039289100000000, 0.0000000000000000, 0.0058687200000000 ] - [ -0.0072877100000000, -0.0022302200000000, -0.0009376500000000 ] - [ 0.0838233700000000, 0.0000000000000000, -0.0189282600000000 ] - [ -0.0028040400000000, -0.0018978600000000, -0.0048594000000000 ] - [ 0.0001139200000000, 0.0000000000000000, -0.0057585000000000 ] - [ 0.0001855100000000, -0.0002478900000000, 0.0009859000000000 ] - [ 0.0028587900000000, 0.0000000000000000, 0.0003773300000000 ] - [ 0.0051905500000000, -0.0016560400000000, 0.0033479900000000 ] - [ 0.0002278400000000, 0.0000000000000000, 0.0003356100000000 ] - [ -0.0004658300000000, -0.0001477100000000, -0.0012445700000000 ] - [ 0.0012929100000000, 0.0000000000000000, 0.0002751500000000 ] - [ 0.0051905500000000, 0.0016560400000000, 0.0033479900000000 ] - [ 0.0001179500000000, 0.0000000000000000, 0.0002454700000000 ] - [ 0.0000680700000000, -0.0000054400000000, 0.0000886600000000 ] - [ 0.0009340700000000, 0.0000000000000000, 0.0002450300000000 ] - [ -0.0000959300000000, 0.0000205100000000, 0.0000701300000000 ] - [ -0.0000087400000000, 0.0000000000000000, 0.0001746200000000 ] - [ 0.0000680700000000, 0.0000054400000000, 0.0000886600000000 ] - [ 0.0002129400000000, 0.0000000000000000, -0.0000340200000000 ] - [ 0.0003536400000000, -0.0000750100000000, -0.0000026100000000 ] - [ -0.0000311700000000, 0.0000000000000000, 0.0001607400000000 ] - [ -0.0000180500000000, 0.0000000000000000, 0.0000861200000000 ] - [ 0.0000371200000000, 0.0000233900000000, 0.0000767900000000 ] - [ 0.0000371200000000, -0.0000233900000000, 0.0000767900000000 ] - [ -0.0000476100000000, 0.0001395100000000, 0.0000814400000000 ] - [ -0.0002273400000000, 0.0000000000000000, 0.0003321800000000 ] - [ 0.0000030200000000, -0.0001354500000000, -0.0000052300000000 ] - [ -0.0000887000000000, 0.0000000000000000, -0.0000015400000000 ] - [ 0.0001998200000000, 0.0000000000000000, -0.0001658900000000 ] - [ -0.0011889300000000, 0.0000436400000000, 0.0003975900000000 ] - [ 0.0000043400000000, 0.0000000000000000, -0.0001195800000000 ] - [ -0.0002908000000000, -0.0000603100000000, -0.0002279800000000 ] - [ -0.0030397800000000, 0.0000000000000000, -0.0004053400000000 ] - [ -0.0011889300000000, -0.0000436400000000, 0.0003975900000000 ] - [ 0.0008314800000000, 0.0000000000000000, 0.0004949700000000 ] - [ -0.0002908000000000, 0.0000603100000000, -0.0002279800000000 ] - [ -0.0045977400000000, 0.0000000000000000, 0.0004263900000000 ] - [ -0.0072877100000000, 0.0022302200000000, -0.0009376500000000 ] - [ -0.0004761500000000, 0.0000000000000000, -0.0015016000000000 ] - [ -0.0028040400000000, 0.0018978600000000, -0.0048594000000000 ] - [ -0.0002435200000000, 0.0000000000000000, -0.0053280800000000 ] - [ 0.0231316400000000, 0.0319335500000000, 0.0093086900000000 ] - [ -0.0061322100000000, 0.0000000000000000, 0.0003811900000000 ] - [ -0.0018738600000000, -0.0014202300000000, 0.0044586200000000 ] - [ -0.0018174700000000, 0.0000000000000000, 0.0016111500000000 ] - [ -0.0004658300000000, 0.0001477100000000, -0.0012445700000000 ] - [ -0.0079590200000000, 0.0000000000000000, -0.0016281700000000 ] - [ -0.0029385500000000, -0.0004757300000000, -0.0010665200000000 ] - [ -0.0000251500000000, 0.0000000000000000, -0.0002779600000000 ] - [ 0.0001855100000000, 0.0002478900000000, 0.0009859000000000 ] - [ -0.0013629000000000, 0.0000000000000000, 0.0004848300000000 ] - [ -0.0029385500000000, 0.0004757300000000, -0.0010665200000000 ] - [ -0.0000420400000000, 0.0000000000000000, -0.0002110200000000 ] - [ -0.0000262200000000, 0.0000251400000000, -0.0000116700000000 ] - [ -0.0006867600000000, 0.0000000000000000, -0.0001120000000000 ] - [ 0.0003536400000000, 0.0000750100000000, -0.0000026100000000 ] - [ -0.0000336700000000, 0.0000000000000000, 0.0001814700000000 ] - [ -0.0000262200000000, -0.0000251400000000, -0.0000116700000000 ] - [ 0.0000932400000000, 0.0000000000000000, 0.0000437500000000 ] - [ -0.0000959300000000, -0.0000205100000000, 0.0000701300000000 ] - [ 0.0000030400000000, 0.0000000000000000, 0.0001483900000000 ] - [ 0.0000579900000000, 0.0000000000000000, 0.0000064200000000 ] - [ 0.0000706800000000, 0.0000270500000000, 0.0000621800000000 ] - [ 0.0000706800000000, -0.0000270500000000, 0.0000621800000000 ]- atom: 28 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0000381100000000, 0.0000000000000000, -0.0000229500000000 ] - [ -0.0000288400000000, 0.0000000000000000, -0.0001009400000000 ] - [ 0.0020340800000000, 0.0000000000000000, -0.0046999300000000 ] - [ 0.0003595100000000, 0.0000000000000000, 0.0001914200000000 ] - [ 0.0112202700000000, 0.0000000000000000, -0.0055797900000000 ] - [ -0.0035231500000000, 0.0000000000000000, 0.0051991200000000 ] - [ 0.0005661700000000, 0.0000000000000000, -0.0004282200000000 ] - [ -0.0000267800000000, 0.0000000000000000, 0.0014837600000000 ] - [ -0.0000339200000000, 0.0000000000000000, 0.0000258400000000 ] - [ 0.0002344400000000, 0.0000000000000000, 0.0000463900000000 ] - [ 0.0000222800000000, 0.0000000000000000, -0.0000417800000000 ] - [ -0.0001347800000000, 0.0000000000000000, 0.0001313800000000 ] - [ -0.0026014700000000, 0.0000000000000000, 0.0019980600000000 ] - [ -0.0007560700000000, 0.0000000000000000, -0.0000164000000000 ] - [ -0.0061454000000000, 0.0000000000000000, -0.0004758300000000 ] - [ -0.0119875500000000, 0.0000000000000000, -0.0052015300000000 ] - [ -0.0004722700000000, 0.0000000000000000, 0.0004142900000000 ] - [ -0.0018164000000000, 0.0000000000000000, -0.0014975700000000 ] - [ -0.0000064900000000, 0.0000000000000000, -0.0000209600000000 ] - [ -0.0000142000000000, 0.0000000000000000, 0.0000048100000000 ] - [ 0.0000529900000000, 0.0000000000000000, 0.0000912500000000 ] - [ 0.0001364300000000, 0.0000000000000000, 0.0000481700000000 ] - [ 0.0002531100000000, -0.0001460900000000, 0.0000416800000000 ] - [ 0.0011023600000000, 0.0000000000000000, -0.0006654000000000 ] - [ 0.0002531100000000, 0.0001460900000000, 0.0000416800000000 ] - [ -0.0035115500000000, 0.0005727600000000, -0.0016001300000000 ] - [ 0.0084423700000000, 0.0000000000000000, -0.0000145600000000 ] - [ 0.1590645800000000, 0.0000000000000000, 0.0046075700000000 ] - [ 0.0033538500000000, 0.0003020000000000, 0.0044290500000000 ] - [ -0.0007100100000000, 0.0000000000000000, 0.0030727200000000 ] - [ -0.0001941900000000, 0.0000000000000000, 0.0009303800000000 ] - [ -0.0112036900000000, 0.0056883500000000, -0.0097205800000000 ] - [ -0.0090756300000000, -0.0114357400000000, 0.0117492400000000 ] - [ 0.0036150200000000, 0.0000000000000000, -0.0054271700000000 ] - [ 0.0007358800000000, -0.0000356100000000, 0.0004660000000000 ] - [ -0.0000464700000000, 0.0000000000000000, 0.0002276800000000 ] - [ 0.0007358800000000, 0.0000356100000000, 0.0004660000000000 ] - [ -0.0000324900000000, 0.0000110500000000, 0.0000336500000000 ] - [ 0.0000821800000000, -0.0000110800000000, 0.0000131300000000 ] - [ -0.0001397800000000, 0.0000000000000000, 0.0002422700000000 ] - [ 0.0000682900000000, 0.0000000000000000, 0.0000075300000000 ] - [ 0.0000274800000000, 0.0000000000000000, 0.0000863900000000 ] - [ -0.0002122600000000, -0.0001245900000000, 0.0000743700000000 ] - [ -0.0008976200000000, 0.0000000000000000, 0.0010287200000000 ] - [ -0.0002122600000000, 0.0001245900000000, 0.0000743700000000 ] - [ 0.0033538500000000, -0.0003020000000000, 0.0044290500000000 ] - [ -0.0037040400000000, 0.0000000000000000, 0.0002127000000000 ] - [ -0.0069719600000000, 0.0000000000000000, -0.0004191400000000 ] - [ -0.0035115500000000, -0.0005727600000000, -0.0016001300000000 ] - [ 0.0013375500000000, 0.0000000000000000, -0.0028376400000000 ] - [ -0.0001600400000000, 0.0000000000000000, -0.0007198200000000 ] - [ -0.0090756300000000, 0.0114357400000000, 0.0117492400000000 ] - [ -0.0112036900000000, -0.0056883500000000, -0.0097205800000000 ] - [ -0.0125525900000000, 0.0000000000000000, 0.0064994200000000 ] - [ -0.0006335800000000, 0.0001715700000000, -0.0002723300000000 ] - [ -0.0000310200000000, 0.0000000000000000, -0.0000982200000000 ] - [ -0.0006335800000000, -0.0001715700000000, -0.0002723300000000 ] - [ 0.0000821800000000, 0.0000110800000000, 0.0000131300000000 ] - [ -0.0000324900000000, -0.0000110500000000, 0.0000336500000000 ] - [ 0.0002935900000000, 0.0000000000000000, -0.0001270400000000 ] - [ -0.0000537600000000, 0.0001390900000000, -0.0000059600000000 ] - [ -0.0002834400000000, 0.0000000000000000, 0.0002472400000000 ] - [ -0.0000053400000000, -0.0001351000000000, -0.0000926900000000 ] - [ -0.0000834100000000, 0.0000000000000000, -0.0000795700000000 ] - [ 0.0002113900000000, 0.0000000000000000, -0.0002892300000000 ] - [ -0.0010606400000000, 0.0001392800000000, 0.0000178300000000 ] - [ 0.0000088700000000, 0.0000000000000000, -0.0002136100000000 ] - [ -0.0002628400000000, -0.0001022800000000, -0.0002994600000000 ] - [ -0.0090798000000000, 0.0000000000000000, -0.0058883100000000 ] - [ -0.0010606400000000, -0.0001392800000000, 0.0000178300000000 ] - [ 0.0002987600000000, 0.0000000000000000, 0.0013377000000000 ] - [ -0.0002628400000000, 0.0001022800000000, -0.0002994600000000 ] - [ -0.0048746100000000, 0.0000000000000000, -0.0017541100000000 ] - [ -0.0231586300000000, 0.0325513400000000, -0.0096796300000000 ] - [ -0.0004675600000000, 0.0000000000000000, -0.0017243900000000 ] - [ 0.0018706700000000, -0.0012135300000000, -0.0044516000000000 ] - [ 0.0040594600000000, 0.0000000000000000, -0.0058529800000000 ] - [ 0.0072757400000000, 0.0023608400000000, 0.0008144400000000 ] - [ -0.0789845200000000, 0.0000000000000000, 0.0172510500000000 ] - [ 0.0028033800000000, 0.0016532100000000, 0.0048484700000000 ] - [ -0.0002916200000000, 0.0000000000000000, 0.0058032900000000 ] - [ -0.0002378700000000, 0.0002707100000000, -0.0010529000000000 ] - [ -0.0030019000000000, 0.0000000000000000, -0.0005241200000000 ] - [ -0.0051000500000000, 0.0016511700000000, -0.0031374700000000 ] - [ 0.0000317700000000, 0.0000000000000000, -0.0003995700000000 ] - [ 0.0004107000000000, 0.0001230800000000, 0.0011761700000000 ] - [ -0.0012707600000000, 0.0000000000000000, -0.0001945400000000 ] - [ -0.0051000500000000, -0.0016511700000000, -0.0031374700000000 ] - [ -0.0000298300000000, 0.0000000000000000, -0.0002247600000000 ] - [ -0.0000308800000000, 0.0000351000000000, -0.0000867000000000 ] - [ -0.0008813400000000, 0.0000000000000000, -0.0002057800000000 ] - [ 0.0003156700000000, 0.0000883200000000, -0.0001134600000000 ] - [ -0.0000293500000000, 0.0000000000000000, 0.0000759300000000 ] - [ -0.0000308800000000, -0.0000351000000000, -0.0000867000000000 ] - [ 0.0001095400000000, 0.0000000000000000, -0.0000470800000000 ] - [ -0.0001341400000000, -0.0000336800000000, -0.0000413300000000 ] - [ 0.0000071200000000, 0.0000000000000000, 0.0000639900000000 ] - [ 0.0000587600000000, 0.0000000000000000, -0.0001044300000000 ] - [ 0.0000639000000000, 0.0000264700000000, -0.0000203900000000 ] - [ 0.0000639000000000, -0.0000264700000000, -0.0000203900000000 ] - [ -0.0000053400000000, 0.0001351000000000, -0.0000926900000000 ] - [ 0.0000257500000000, 0.0000000000000000, -0.0000424900000000 ] - [ -0.0000537600000000, -0.0001390900000000, -0.0000059600000000 ] - [ 0.0000338600000000, 0.0000000000000000, -0.0000210300000000 ] - [ -0.0003479000000000, 0.0000000000000000, 0.0000887300000000 ] - [ 0.0010596700000000, -0.0000644800000000, -0.0003153400000000 ] - [ 0.0001400200000000, 0.0000000000000000, -0.0001185200000000 ] - [ 0.0001740100000000, 0.0000588100000000, 0.0001994700000000 ] - [ 0.0027290900000000, 0.0000000000000000, 0.0005654500000000 ] - [ 0.0010596700000000, 0.0000644800000000, -0.0003153400000000 ] - [ -0.0009472900000000, 0.0000000000000000, -0.0004576300000000 ] - [ 0.0001740100000000, -0.0000588100000000, 0.0001994700000000 ] - [ 0.0045411900000000, 0.0000000000000000, -0.0004971700000000 ] - [ 0.0072757400000000, -0.0023608400000000, 0.0008144400000000 ] - [ 0.0004355900000000, 0.0000000000000000, 0.0013869000000000 ] - [ 0.0028033800000000, -0.0016532100000000, 0.0048484700000000 ] - [ 0.0003617800000000, 0.0000000000000000, 0.0053247900000000 ] - [ -0.0231586300000000, -0.0325513400000000, -0.0096796300000000 ] - [ 0.0060659100000000, 0.0000000000000000, -0.0003191800000000 ] - [ 0.0018706700000000, 0.0012135300000000, -0.0044516000000000 ] - [ 0.0016523300000000, 0.0000000000000000, -0.0015666900000000 ] - [ 0.0004107000000000, -0.0001230800000000, 0.0011761700000000 ] - [ 0.0078459600000000, 0.0000000000000000, 0.0015051500000000 ] - [ 0.0030103900000000, 0.0004784200000000, 0.0012808700000000 ] - [ 0.0002842700000000, 0.0000000000000000, 0.0002136900000000 ] - [ -0.0002378700000000, -0.0002707100000000, -0.0010529000000000 ] - [ 0.0013834400000000, 0.0000000000000000, -0.0004030100000000 ] - [ 0.0030103900000000, -0.0004784200000000, 0.0012808700000000 ] - [ 0.0001292300000000, 0.0000000000000000, 0.0002319500000000 ] - [ 0.0000632400000000, 0.0000045900000000, 0.0000137100000000 ] - [ 0.0007390700000000, 0.0000000000000000, 0.0001561600000000 ] - [ -0.0001341400000000, 0.0000336800000000, -0.0000413300000000 ] - [ -0.0000047000000000, 0.0000000000000000, 0.0000691600000000 ] - [ 0.0000632400000000, -0.0000045900000000, 0.0000137100000000 ] - [ 0.0002292000000000, 0.0000000000000000, -0.0001247300000000 ] - [ 0.0003156700000000, -0.0000883200000000, -0.0001134600000000 ] - [ -0.0000266600000000, 0.0000000000000000, 0.0000762500000000 ] - [ -0.0000172300000000, 0.0000000000000000, -0.0000248100000000 ] - [ 0.0000304900000000, 0.0000227800000000, -0.0000054700000000 ] - [ 0.0000304900000000, -0.0000227800000000, -0.0000054700000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000376900000000, -0.0000042100000000, -0.0000799000000000 ] - [ -0.0000771300000000, 0.0000055600000000, -0.0000158100000000 ] - [ -0.0000686900000000, -0.0006520100000000, -0.0000226700000000 ] - [ -0.0001032700000000, 0.0001745200000000, 0.0000490100000000 ] - [ -0.0000415400000000, 0.0181985900000000, -0.0000657500000000 ] - [ -0.0000227700000000, 0.0181667300000000, -0.0000158900000000 ] - [ 0.0000173100000000, 0.0000767400000000, 0.0000225100000000 ] - [ 0.0000047300000000, 0.0013695500000000, -0.0000319500000000 ] - [ -0.0000300100000000, 0.0000012100000000, -0.0000411900000000 ] - [ 0.0001216700000000, 0.0000094000000000, -0.0000254900000000 ] - [ 0.0000379600000000, -0.0000036900000000, -0.0000801300000000 ] - [ -0.0000756800000000, 0.0000125900000000, -0.0000145700000000 ] - [ -0.0000531500000000, 0.0013441800000000, -0.0000103700000000 ] - [ -0.0001047700000000, 0.0000908100000000, 0.0000511300000000 ] - [ -0.0000040300000000, 0.0002930800000000, -0.0000152100000000 ] - [ 0.0000199600000000, -0.0005787800000000, -0.0000088100000000 ] - [ 0.0000201900000000, 0.0001019900000000, 0.0000208800000000 ] - [ 0.0000043900000000, 0.0001324500000000, -0.0000288800000000 ] - [ -0.0000303900000000, 0.0000014100000000, -0.0000416800000000 ] - [ 0.0001208700000000, 0.0000107000000000, -0.0000249500000000 ] - [ 0.0000791200000000, -0.0000027100000000, -0.0000174300000000 ] - [ 0.0000727100000000, 0.0000041200000000, -0.0000249800000000 ] - [ 0.0000055600000000, -0.0001397500000000, -0.0000309000000000 ] - [ -0.0001470700000000, -0.0004382700000000, 0.0000746400000000 ] - [ 0.0000326600000000, 0.0001392500000000, 0.0000202700000000 ] - [ 0.0003688900000000, 0.0000988100000000, 0.0003403100000000 ] - [ -0.0000090400000000, -0.0042375500000000, 0.0000303100000000 ] - [ 0.0023385200000000, -0.1671585600000000, 0.0016713600000000 ] - [ 0.0007393400000000, 0.0003229800000000, 0.0050548400000000 ] - [ 0.0000593900000000, -0.0003369600000000, -0.0000534100000000 ] - [ -0.0001784800000000, -0.0000336300000000, 0.0000102200000000 ] - [ -0.0127637200000000, 0.0005473500000000, -0.0090762900000000 ] - [ 0.0051156000000000, 0.0004419200000000, -0.0008938200000000 ] - [ -0.0000174000000000, 0.0095850200000000, 0.0000613500000000 ] - [ 0.0000388600000000, -0.0000138000000000, -0.0001459600000000 ] - [ -0.0000366000000000, -0.0000039200000000, -0.0000050700000000 ] - [ 0.0002346600000000, 0.0000093100000000, 0.0001171000000000 ] - [ 0.0000247300000000, 0.0000216700000000, -0.0000465000000000 ] - [ 0.0000284100000000, -0.0000222700000000, -0.0000442100000000 ] - [ 0.0000429200000000, -0.0000276900000000, -0.0000139600000000 ] - [ 0.0000798300000000, -0.0000053900000000, -0.0000182600000000 ] - [ 0.0000725000000000, 0.0000029200000000, -0.0000244700000000 ] - [ 0.0000146900000000, -0.0001404200000000, -0.0000130800000000 ] - [ -0.0001463800000000, -0.0003289300000000, 0.0000731600000000 ] - [ 0.0000216000000000, 0.0001412500000000, 0.0000015000000000 ] - [ -0.0008188200000000, 0.0005747800000000, -0.0050459100000000 ] - [ -0.0000025100000000, 0.0000151700000000, 0.0000191600000000 ] - [ -0.0000316000000000, -0.0008678300000000, 0.0000289200000000 ] - [ -0.0004404200000000, -0.0000801200000000, -0.0003560900000000 ] - [ 0.0000561500000000, -0.0004362200000000, -0.0000520500000000 ] - [ -0.0001781700000000, 0.0000411100000000, 0.0000075500000000 ] - [ -0.0050446300000000, 0.0004338400000000, 0.0008572400000000 ] - [ 0.0127864900000000, 0.0006067700000000, 0.0090397900000000 ] - [ -0.0000618700000000, -0.0041977500000000, 0.0000164100000000 ] - [ 0.0000604400000000, -0.0000177000000000, -0.0000563900000000 ] - [ -0.0000373700000000, -0.0000072300000000, -0.0000047100000000 ] - [ 0.0002150600000000, 0.0000063700000000, 0.0000302300000000 ] - [ 0.0000252700000000, 0.0000219200000000, -0.0000467400000000 ] - [ 0.0000284200000000, -0.0000218200000000, -0.0000439600000000 ] - [ 0.0000421500000000, -0.0000220500000000, -0.0000137300000000 ] - [ -0.0000207400000000, 0.0001456400000000, -0.0000212900000000 ] - [ -0.0000892000000000, 0.0000773100000000, 0.0001428300000000 ] - [ -0.0000189700000000, -0.0001447100000000, -0.0000106700000000 ] - [ -0.0000290300000000, 0.0000014900000000, -0.0000125500000000 ] - [ -0.0000986500000000, -0.0000124200000000, -0.0000498200000000 ] - [ -0.0006290700000000, 0.0003257800000000, -0.0006760900000000 ] - [ 0.0000650200000000, -0.0000005300000000, -0.0001244000000000 ] - [ -0.0000473500000000, 0.0000078800000000, -0.0000493800000000 ] - [ -0.0001400700000000, 0.0065872600000000, -0.0001433300000000 ] - [ 0.0005116200000000, 0.0003549800000000, 0.0007695800000000 ] - [ -0.0000362200000000, -0.0002288300000000, 0.0000136500000000 ] - [ -0.0000757400000000, -0.0000258100000000, 0.0000176100000000 ] - [ -0.0000367200000000, -0.0063554500000000, -0.0000873900000000 ] - [ -0.0292173300000000, 0.0671660500000000, -0.0204363600000000 ] - [ -0.0000319500000000, -0.0003491300000000, -0.0000771500000000 ] - [ 0.0020398700000000, -0.0004092700000000, -0.0032798200000000 ] - [ 0.0000715700000000, -0.0000268900000000, 0.0000024900000000 ] - [ 0.0006052000000000, 0.0003406100000000, 0.0001756100000000 ] - [ -0.0002377800000000, 0.0063708300000000, 0.0001145300000000 ] - [ -0.0012062600000000, -0.0006538500000000, -0.0008145700000000 ] - [ -0.0000821300000000, 0.0049443100000000, 0.0000156900000000 ] - [ -0.0001693100000000, 0.0000012300000000, 0.0002570300000000 ] - [ -0.0001334000000000, -0.0063777500000000, -0.0000612300000000 ] - [ -0.0024267800000000, -0.0005451600000000, 0.0031342100000000 ] - [ 0.0001350800000000, -0.0000305800000000, -0.0000227000000000 ] - [ -0.0001694400000000, -0.0000794000000000, -0.0002658000000000 ] - [ 0.0000136000000000, -0.0001820400000000, 0.0000419200000000 ] - [ 0.0024766700000000, -0.0005472600000000, -0.0029178800000000 ] - [ 0.0000466100000000, 0.0000261700000000, 0.0000049700000000 ] - [ 0.0000216400000000, 0.0000117300000000, 0.0000091200000000 ] - [ 0.0000237200000000, 0.0001568200000000, 0.0000208400000000 ] - [ 0.0000890500000000, 0.0000447300000000, -0.0000054500000000 ] - [ -0.0000130200000000, 0.0000001000000000, 0.0001423600000000 ] - [ 0.0000220800000000, -0.0000128300000000, 0.0000031900000000 ] - [ 0.0001655100000000, -0.0000013800000000, -0.0000356800000000 ] - [ 0.0001061800000000, -0.0000421200000000, -0.0000497500000000 ] - [ -0.0000297000000000, 0.0000006300000000, 0.0001255700000000 ] - [ 0.0000263800000000, 0.0000022100000000, -0.0000065800000000 ] - [ 0.0000622000000000, 0.0000353500000000, 0.0000367300000000 ] - [ 0.0000610400000000, -0.0000350000000000, 0.0000358500000000 ] - [ -0.0000160100000000, 0.0001440200000000, -0.0000163500000000 ] - [ -0.0000917000000000, 0.0000145700000000, 0.0001360000000000 ] - [ -0.0000150700000000, -0.0001439500000000, -0.0000063000000000 ] - [ -0.0000279200000000, -0.0000004400000000, -0.0000131100000000 ] - [ -0.0000971800000000, -0.0000683300000000, -0.0000494500000000 ] - [ 0.0001523200000000, -0.0000154600000000, -0.0001913800000000 ] - [ 0.0000646300000000, 0.0000013500000000, -0.0001244000000000 ] - [ -0.0000387400000000, 0.0000186200000000, -0.0000223900000000 ] - [ -0.0001450900000000, -0.0003832400000000, 0.0000828600000000 ] - [ -0.0002647800000000, 0.0000127200000000, 0.0002829800000000 ] - [ -0.0000513100000000, -0.0000019900000000, 0.0000222100000000 ] - [ -0.0000850500000000, -0.0000145800000000, -0.0000094200000000 ] - [ -0.0000419300000000, 0.0004157000000000, -0.0000355000000000 ] - [ -0.0006149400000000, 0.0001976300000000, -0.0003016100000000 ] - [ -0.0000357100000000, 0.0002896600000000, -0.0000696800000000 ] - [ 0.0012142900000000, -0.0004509900000000, 0.0008452000000000 ] - [ 0.0000705200000000, -0.0058873700000000, -0.0000018400000000 ] - [ 0.0271458100000000, 0.0640787600000000, 0.0188659200000000 ] - [ -0.0000289500000000, -0.0058221200000000, 0.0000382500000000 ] - [ -0.0020166300000000, -0.0006553500000000, 0.0032957200000000 ] - [ -0.0000932500000000, -0.0003288800000000, 0.0000197900000000 ] - [ 0.0001240200000000, -0.0000585400000000, 0.0001983100000000 ] - [ -0.0000844200000000, 0.0048847200000000, -0.0000823700000000 ] - [ 0.0000931600000000, 0.0000133200000000, 0.0001862800000000 ] - [ 0.0001344600000000, -0.0000413900000000, -0.0000244400000000 ] - [ 0.0001260500000000, -0.0000138700000000, -0.0003178700000000 ] - [ 0.0000084300000000, -0.0000096200000000, 0.0000416900000000 ] - [ -0.0000348300000000, 0.0000212500000000, 0.0000098700000000 ] - [ 0.0000464900000000, 0.0000304100000000, 0.0000047700000000 ] - [ 0.0000217200000000, 0.0000103700000000, 0.0000101400000000 ] - [ 0.0000211600000000, 0.0000081000000000, 0.0000179500000000 ] - [ 0.0001029400000000, 0.0000457000000000, -0.0000036800000000 ] - [ -0.0000133000000000, -0.0000006700000000, 0.0001416200000000 ] - [ 0.0000209200000000, -0.0000118800000000, 0.0000011600000000 ] - [ 0.0001662800000000, -0.0000020500000000, -0.0000356800000000 ] - [ 0.0001180500000000, -0.0000437900000000, -0.0000489200000000 ] - [ -0.0000296500000000, 0.0000000500000000, 0.0001252100000000 ] - [ 0.0000262200000000, 0.0000018300000000, -0.0000063800000000 ] - [ 0.0000613700000000, 0.0000350600000000, 0.0000362600000000 ] - [ 0.0000601700000000, -0.0000348400000000, 0.0000359900000000 ]- atom: 28 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0000321300000000, 0.0000000000000000, 0.0014786600000000 ] - [ 0.0001778900000000, 0.0000000000000000, 0.0013016100000000 ] - [ 0.0094410800000000, 0.0000000000000000, 0.0066719600000000 ] - [ -0.0000585900000000, 0.0000000000000000, 0.0031970600000000 ] - [ -0.0019812600000000, 0.0000000000000000, 0.0022506800000000 ] - [ 0.0007623400000000, 0.0000000000000000, -0.0144864500000000 ] - [ 0.0003095900000000, 0.0000000000000000, 0.0016631000000000 ] - [ -0.0016924700000000, 0.0000000000000000, 0.0024465500000000 ] - [ 0.0000054900000000, 0.0000000000000000, 0.0013917500000000 ] - [ 0.0001474700000000, 0.0000000000000000, 0.0017034700000000 ] - [ -0.0000081100000000, 0.0000000000000000, 0.0013621700000000 ] - [ -0.0004580900000000, 0.0000000000000000, 0.0015743000000000 ] - [ -0.0017084600000000, 0.0000000000000000, -0.0003352300000000 ] - [ 0.0000854100000000, 0.0000000000000000, 0.0008872600000000 ] - [ 0.0006792700000000, 0.0000000000000000, -0.0014728200000000 ] - [ 0.0016638000000000, 0.0000000000000000, -0.0080067600000000 ] - [ -0.0001684500000000, 0.0000000000000000, 0.0012995400000000 ] - [ 0.0020546900000000, 0.0000000000000000, 0.0017427900000000 ] - [ 0.0000206200000000, 0.0000000000000000, 0.0014056500000000 ] - [ 0.0002097600000000, 0.0000000000000000, 0.0015679300000000 ] - [ -0.0001668000000000, 0.0000000000000000, 0.0022800500000000 ] - [ 0.0002295100000000, 0.0000000000000000, 0.0025929800000000 ] - [ 0.0002250500000000, -0.0002140700000000, 0.0025812900000000 ] - [ 0.0023917300000000, 0.0000000000000000, 0.0023959700000000 ] - [ 0.0002250500000000, 0.0002140700000000, 0.0025812900000000 ] - [ 0.0018074000000000, 0.0000246800000000, -0.0014962500000000 ] - [ -0.0011488700000000, 0.0000000000000000, 0.0119751700000000 ] - [ -0.0257363600000000, 0.0000000000000000, -0.1603871200000000 ] - [ -0.0085404000000000, 0.0119523100000000, 0.0111482100000000 ] - [ -0.0008091900000000, 0.0000000000000000, 0.0010897700000000 ] - [ -0.0010992400000000, 0.0000000000000000, 0.0024776200000000 ] - [ 0.0109066700000000, -0.0045061100000000, 0.0019087200000000 ] - [ -0.0069421400000000, -0.0028238400000000, -0.0017215300000000 ] - [ 0.0047925100000000, 0.0000000000000000, -0.0105351500000000 ] - [ -0.0002307100000000, -0.0002837200000000, 0.0025946500000000 ] - [ -0.0001562100000000, 0.0000000000000000, 0.0023940100000000 ] - [ -0.0002307100000000, 0.0002837200000000, 0.0025946500000000 ] - [ 0.0000625100000000, -0.0000984200000000, 0.0021724000000000 ] - [ 0.0000925500000000, 0.0001082500000000, 0.0022407000000000 ] - [ -0.0001793600000000, 0.0000000000000000, 0.0022692000000000 ] - [ 0.0001402900000000, 0.0000000000000000, 0.0022179300000000 ] - [ 0.0001295100000000, 0.0000000000000000, 0.0024560200000000 ] - [ 0.0000339700000000, -0.0001443600000000, 0.0019456200000000 ] - [ -0.0031490500000000, 0.0000000000000000, 0.0015538100000000 ] - [ 0.0000339700000000, 0.0001443600000000, 0.0019456200000000 ] - [ -0.0085404000000000, -0.0119523100000000, 0.0111482100000000 ] - [ 0.0003219400000000, 0.0000000000000000, 0.0007293900000000 ] - [ 0.0013994800000000, 0.0000000000000000, -0.0073356800000000 ] - [ 0.0018074000000000, -0.0000246800000000, -0.0014962500000000 ] - [ 0.0005939200000000, 0.0000000000000000, 0.0025244500000000 ] - [ 0.0005639800000000, 0.0000000000000000, 0.0014761100000000 ] - [ -0.0069421400000000, 0.0028238400000000, -0.0017215300000000 ] - [ 0.0109066700000000, 0.0045061100000000, 0.0019087200000000 ] - [ -0.0045549100000000, 0.0000000000000000, -0.0108248400000000 ] - [ 0.0005810000000000, -0.0000959100000000, 0.0019258000000000 ] - [ -0.0000625400000000, 0.0000000000000000, 0.0023511700000000 ] - [ 0.0005810000000000, 0.0000959100000000, 0.0019258000000000 ] - [ 0.0000925500000000, -0.0001082500000000, 0.0022407000000000 ] - [ 0.0000625100000000, 0.0000984200000000, 0.0021724000000000 ] - [ 0.0001237400000000, 0.0000000000000000, 0.0024250300000000 ] - [ -0.0003182000000000, 0.0002243900000000, -0.0015560200000000 ] - [ -0.0004230900000000, 0.0000000000000000, -0.0025661600000000 ] - [ -0.0000523500000000, -0.0001751500000000, -0.0014418200000000 ] - [ 0.0001779400000000, 0.0000000000000000, -0.0017239000000000 ] - [ 0.0004541200000000, 0.0000000000000000, -0.0011145000000000 ] - [ -0.0026212700000000, 0.0023457900000000, -0.0043451600000000 ] - [ 0.0001241400000000, 0.0000000000000000, -0.0017913700000000 ] - [ -0.0000050000000000, 0.0000235700000000, -0.0017400500000000 ] - [ 0.0083046100000000, 0.0000000000000000, 0.0879000500000000 ] - [ -0.0026212700000000, -0.0023457900000000, -0.0043451600000000 ] - [ -0.0015911100000000, 0.0000000000000000, 0.0001335300000000 ] - [ -0.0000050000000000, -0.0000235700000000, -0.0017400500000000 ] - [ 0.0002568100000000, 0.0000000000000000, 0.0044732900000000 ] - [ 0.0129926500000000, -0.0269971800000000, 0.0195463900000000 ] - [ 0.0011644700000000, 0.0000000000000000, -0.0008142700000000 ] - [ 0.0053422300000000, -0.0017492600000000, 0.0048424500000000 ] - [ 0.0010814100000000, 0.0000000000000000, 0.0007801300000000 ] - [ 0.0006800100000000, 0.0007736300000000, 0.0030890600000000 ] - [ -0.0086088700000000, 0.0000000000000000, 0.0124653100000000 ] - [ -0.0047900500000000, -0.0018982000000000, 0.0023591500000000 ] - [ -0.0041803800000000, 0.0000000000000000, -0.0037169800000000 ] - [ 0.0004758500000000, 0.0000382600000000, -0.0012955300000000 ] - [ 0.0023993400000000, 0.0000000000000000, 0.0067961000000000 ] - [ 0.0032025200000000, 0.0019143900000000, -0.0025851500000000 ] - [ 0.0003315900000000, 0.0000000000000000, -0.0019911600000000 ] - [ -0.0007256900000000, 0.0000116100000000, -0.0016309000000000 ] - [ 0.0001743800000000, 0.0000000000000000, -0.0018690600000000 ] - [ 0.0032025200000000, -0.0019143900000000, -0.0025851500000000 ] - [ 0.0004856400000000, 0.0000000000000000, -0.0015093800000000 ] - [ -0.0001406100000000, 0.0001584100000000, -0.0013911800000000 ] - [ 0.0002271700000000, 0.0000000000000000, -0.0031903900000000 ] - [ 0.0000248300000000, -0.0000583200000000, -0.0012549400000000 ] - [ 0.0000269300000000, 0.0000000000000000, -0.0017565100000000 ] - [ -0.0001406100000000, -0.0001584100000000, -0.0013911800000000 ] - [ 0.0003812500000000, 0.0000000000000000, -0.0014883600000000 ] - [ -0.0001571400000000, 0.0001384400000000, -0.0015528400000000 ] - [ 0.0000760200000000, 0.0000000000000000, -0.0013651500000000 ] - [ 0.0001311500000000, 0.0000000000000000, -0.0019124100000000 ] - [ -0.0000587600000000, 0.0000206500000000, -0.0013722500000000 ] - [ -0.0000587600000000, -0.0000206500000000, -0.0013722500000000 ] - [ -0.0000523500000000, 0.0001751500000000, -0.0014418200000000 ] - [ 0.0004489800000000, 0.0000000000000000, -0.0017227300000000 ] - [ -0.0003182000000000, -0.0002243900000000, -0.0015560200000000 ] - [ 0.0001276200000000, 0.0000000000000000, -0.0014629000000000 ] - [ -0.0003774400000000, 0.0000000000000000, -0.0016703200000000 ] - [ 0.0007819700000000, -0.0002884500000000, 0.0003192100000000 ] - [ 0.0000989800000000, 0.0000000000000000, -0.0015183800000000 ] - [ -0.0003052400000000, -0.0000717800000000, -0.0009295600000000 ] - [ -0.0005929300000000, 0.0000000000000000, 0.0043416500000000 ] - [ 0.0007819700000000, 0.0002884500000000, 0.0003192100000000 ] - [ 0.0045486600000000, 0.0000000000000000, -0.0047907700000000 ] - [ -0.0003052400000000, 0.0000717800000000, -0.0009295600000000 ] - [ -0.0007417700000000, 0.0000000000000000, 0.0029286500000000 ] - [ 0.0006800100000000, -0.0007736300000000, 0.0030890600000000 ] - [ -0.0012207700000000, 0.0000000000000000, -0.0002873000000000 ] - [ -0.0047900500000000, 0.0018982000000000, 0.0023591500000000 ] - [ -0.0012833500000000, 0.0000000000000000, -0.0014063500000000 ] - [ 0.0129926500000000, 0.0269971800000000, 0.0195463900000000 ] - [ -0.0046063900000000, 0.0000000000000000, 0.0039383800000000 ] - [ 0.0053422300000000, 0.0017492600000000, 0.0048424500000000 ] - [ 0.0011157600000000, 0.0000000000000000, 0.0006246000000000 ] - [ -0.0007256900000000, -0.0000116100000000, -0.0016309000000000 ] - [ -0.0042576100000000, 0.0000000000000000, 0.0057043700000000 ] - [ -0.0011372500000000, -0.0002220800000000, 0.0002629300000000 ] - [ 0.0000863200000000, 0.0000000000000000, -0.0019441900000000 ] - [ 0.0004758500000000, -0.0000382600000000, -0.0012955300000000 ] - [ 0.0000060900000000, 0.0000000000000000, -0.0008373300000000 ] - [ -0.0011372500000000, 0.0002220800000000, 0.0002629300000000 ] - [ 0.0001239200000000, 0.0000000000000000, -0.0013608000000000 ] - [ -0.0001626200000000, 0.0001593400000000, -0.0013538600000000 ] - [ -0.0000104100000000, 0.0000000000000000, -0.0011396900000000 ] - [ -0.0001571400000000, -0.0001384400000000, -0.0015528400000000 ] - [ 0.0000690900000000, 0.0000000000000000, -0.0017330800000000 ] - [ -0.0001626200000000, -0.0001593400000000, -0.0013538600000000 ] - [ 0.0004313600000000, 0.0000000000000000, -0.0014310700000000 ] - [ 0.0000248300000000, 0.0000583200000000, -0.0012549400000000 ] - [ 0.0000231400000000, 0.0000000000000000, -0.0013837700000000 ] - [ 0.0000832000000000, 0.0000000000000000, -0.0020080400000000 ] - [ -0.0000917500000000, 0.0000139000000000, -0.0014439700000000 ] - [ -0.0000917500000000, -0.0000139000000000, -0.0014439700000000 ]- atom: 28 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0001006100000000, 0.0000000000000000, -0.0016371400000000 ] - [ -0.0003276500000000, 0.0000000000000000, -0.0013356800000000 ] - [ -0.0095251600000000, 0.0000000000000000, -0.0065967300000000 ] - [ -0.0001427400000000, 0.0000000000000000, -0.0031014200000000 ] - [ 0.0019487100000000, 0.0000000000000000, -0.0022230300000000 ] - [ -0.0006763300000000, 0.0000000000000000, 0.0144347900000000 ] - [ -0.0002723600000000, 0.0000000000000000, -0.0016222400000000 ] - [ 0.0017116100000000, 0.0000000000000000, -0.0025173100000000 ] - [ -0.0000572200000000, 0.0000000000000000, -0.0014713000000000 ] - [ 0.0000956800000000, 0.0000000000000000, -0.0017521600000000 ] - [ 0.0000766500000000, 0.0000000000000000, -0.0015209800000000 ] - [ 0.0003081400000000, 0.0000000000000000, -0.0016071200000000 ] - [ 0.0015929400000000, 0.0000000000000000, 0.0003205900000000 ] - [ -0.0002862000000000, 0.0000000000000000, -0.0007925200000000 ] - [ -0.0006954900000000, 0.0000000000000000, 0.0014539400000000 ] - [ -0.0015940200000000, 0.0000000000000000, 0.0079628400000000 ] - [ 0.0002103100000000, 0.0000000000000000, -0.0012571000000000 ] - [ -0.0020689600000000, 0.0000000000000000, -0.0018097400000000 ] - [ -0.0000710900000000, 0.0000000000000000, -0.0014842400000000 ] - [ 0.0000327200000000, 0.0000000000000000, -0.0016155700000000 ] - [ 0.0003064600000000, 0.0000000000000000, -0.0023147700000000 ] - [ -0.0000760600000000, 0.0000000000000000, -0.0026221300000000 ] - [ -0.0001874100000000, -0.0000729500000000, -0.0025993500000000 ] - [ -0.0026996000000000, 0.0000000000000000, -0.0022596000000000 ] - [ -0.0001874100000000, 0.0000729500000000, -0.0025993500000000 ] - [ -0.0018665800000000, 0.0001538400000000, 0.0014814900000000 ] - [ 0.0011631300000000, 0.0000000000000000, -0.0120331800000000 ] - [ 0.0261582000000000, 0.0000000000000000, 0.1541999300000000 ] - [ 0.0084270200000000, -0.0120799100000000, -0.0110469100000000 ] - [ 0.0009229100000000, 0.0000000000000000, -0.0011978800000000 ] - [ 0.0007546000000000, 0.0000000000000000, -0.0024631200000000 ] - [ -0.0108974400000000, 0.0044797500000000, -0.0018822400000000 ] - [ 0.0069934500000000, 0.0028825600000000, 0.0017686500000000 ] - [ -0.0049234100000000, 0.0000000000000000, 0.0105184400000000 ] - [ 0.0005067600000000, 0.0002603500000000, -0.0026303400000000 ] - [ 0.0000765800000000, 0.0000000000000000, -0.0024078100000000 ] - [ 0.0005067600000000, -0.0002603500000000, -0.0026303400000000 ] - [ -0.0000113100000000, 0.0001332100000000, -0.0022616800000000 ] - [ -0.0000420500000000, -0.0001427500000000, -0.0023308100000000 ] - [ 0.0002734500000000, 0.0000000000000000, -0.0022938100000000 ] - [ 0.0000001000000000, 0.0000000000000000, -0.0022528800000000 ] - [ 0.0000243000000000, 0.0000000000000000, -0.0024859600000000 ] - [ 0.0000036400000000, -0.0001428000000000, -0.0019642200000000 ] - [ 0.0028379200000000, 0.0000000000000000, -0.0014225300000000 ] - [ 0.0000036400000000, 0.0001428000000000, -0.0019642200000000 ] - [ 0.0084270200000000, 0.0120799100000000, -0.0110469100000000 ] - [ -0.0003261500000000, 0.0000000000000000, -0.0006792100000000 ] - [ -0.0014828100000000, 0.0000000000000000, 0.0073727200000000 ] - [ -0.0018665800000000, -0.0001538400000000, 0.0014814900000000 ] - [ -0.0004913900000000, 0.0000000000000000, -0.0026361900000000 ] - [ -0.0009077800000000, 0.0000000000000000, -0.0014623500000000 ] - [ 0.0069934500000000, -0.0028825600000000, 0.0017686500000000 ] - [ -0.0108974400000000, -0.0044797500000000, -0.0018822400000000 ] - [ 0.0044403900000000, 0.0000000000000000, 0.0108342500000000 ] - [ -0.0003107400000000, 0.0000699400000000, -0.0019559700000000 ] - [ -0.0000186900000000, 0.0000000000000000, -0.0023648200000000 ] - [ -0.0003107400000000, -0.0000699400000000, -0.0019559700000000 ] - [ -0.0000420500000000, 0.0001427500000000, -0.0023308100000000 ] - [ -0.0000113100000000, -0.0001332100000000, -0.0022616800000000 ] - [ -0.0000324200000000, 0.0000000000000000, -0.0024503100000000 ] - [ 0.0002734400000000, 0.0000605300000000, 0.0015364500000000 ] - [ 0.0002329500000000, 0.0000000000000000, 0.0028562100000000 ] - [ 0.0000077500000000, -0.0001101300000000, 0.0014221000000000 ] - [ -0.0002318600000000, 0.0000000000000000, 0.0017003100000000 ] - [ -0.0006331100000000, 0.0000000000000000, 0.0010249900000000 ] - [ 0.0025058200000000, -0.0023730200000000, 0.0044323400000000 ] - [ 0.0000132200000000, 0.0000000000000000, 0.0015477500000000 ] - [ -0.0001130300000000, -0.0000031400000000, 0.0017119700000000 ] - [ -0.0084475000000000, 0.0000000000000000, -0.0822806600000000 ] - [ 0.0025058200000000, 0.0023730200000000, 0.0044323400000000 ] - [ 0.0015066800000000, 0.0000000000000000, -0.0001107500000000 ] - [ -0.0001130300000000, 0.0000031400000000, 0.0017119700000000 ] - [ -0.0003199100000000, 0.0000000000000000, -0.0045310600000000 ] - [ -0.0131494900000000, 0.0272520800000000, -0.0195334200000000 ] - [ -0.0012199500000000, 0.0000000000000000, 0.0006916600000000 ] - [ -0.0053121700000000, 0.0019669200000000, -0.0047936700000000 ] - [ -0.0009438800000000, 0.0000000000000000, -0.0007865100000000 ] - [ -0.0006748900000000, -0.0006369200000000, -0.0032138200000000 ] - [ 0.0083053900000000, 0.0000000000000000, -0.0122483300000000 ] - [ 0.0047644300000000, 0.0016569400000000, -0.0023220600000000 ] - [ 0.0040567600000000, 0.0000000000000000, 0.0037620600000000 ] - [ -0.0005285200000000, -0.0000156200000000, 0.0012297400000000 ] - [ -0.0025505600000000, 0.0000000000000000, -0.0069676500000000 ] - [ -0.0031655900000000, -0.0019372400000000, 0.0027842200000000 ] - [ -0.0000667700000000, 0.0000000000000000, 0.0019386600000000 ] - [ 0.0006804300000000, -0.0000373300000000, 0.0015662700000000 ] - [ -0.0001508200000000, 0.0000000000000000, 0.0019552100000000 ] - [ -0.0031655900000000, 0.0019372400000000, 0.0027842200000000 ] - [ -0.0003979600000000, 0.0000000000000000, 0.0015253400000000 ] - [ 0.0001796100000000, -0.0001283200000000, 0.0013982900000000 ] - [ -0.0001806400000000, 0.0000000000000000, 0.0032441300000000 ] - [ 0.0001886800000000, 0.0001594300000000, 0.0012054600000000 ] - [ -0.0000585400000000, 0.0000000000000000, 0.0020256800000000 ] - [ 0.0001796100000000, 0.0001283200000000, 0.0013982900000000 ] - [ -0.0000511000000000, 0.0000000000000000, 0.0014127100000000 ] - [ 0.0003722800000000, -0.0002394700000000, 0.0015056200000000 ] - [ -0.0001175100000000, 0.0000000000000000, 0.0016032300000000 ] - [ -0.0000866100000000, 0.0000000000000000, 0.0018967300000000 ] - [ 0.0001708300000000, 0.0000397300000000, 0.0014378400000000 ] - [ 0.0001708300000000, -0.0000397300000000, 0.0014378400000000 ] - [ 0.0000077500000000, 0.0001101300000000, 0.0014221000000000 ] - [ -0.0006405400000000, 0.0000000000000000, 0.0020099500000000 ] - [ 0.0002734400000000, -0.0000605300000000, 0.0015364500000000 ] - [ -0.0001817000000000, 0.0000000000000000, 0.0014393600000000 ] - [ 0.0001996300000000, 0.0000000000000000, 0.0015804700000000 ] - [ -0.0009018600000000, 0.0002677500000000, -0.0002279300000000 ] - [ 0.0000369200000000, 0.0000000000000000, 0.0012760900000000 ] - [ 0.0001863000000000, 0.0000917500000000, 0.0009016600000000 ] - [ 0.0002934900000000, 0.0000000000000000, -0.0041705400000000 ] - [ -0.0009018600000000, -0.0002677500000000, -0.0002279300000000 ] - [ -0.0046442700000000, 0.0000000000000000, 0.0048188800000000 ] - [ 0.0001863000000000, -0.0000917500000000, 0.0009016600000000 ] - [ 0.0006645600000000, 0.0000000000000000, -0.0029900500000000 ] - [ -0.0006748900000000, 0.0006369200000000, -0.0032138200000000 ] - [ 0.0011583100000000, 0.0000000000000000, 0.0001643600000000 ] - [ 0.0047644300000000, -0.0016569400000000, -0.0023220600000000 ] - [ 0.0014187000000000, 0.0000000000000000, 0.0013928200000000 ] - [ -0.0131494900000000, -0.0272520800000000, -0.0195334200000000 ] - [ 0.0045465200000000, 0.0000000000000000, -0.0038744800000000 ] - [ -0.0053121700000000, -0.0019669200000000, -0.0047936700000000 ] - [ -0.0012934100000000, 0.0000000000000000, -0.0006053200000000 ] - [ 0.0006804300000000, 0.0000373300000000, 0.0015662700000000 ] - [ 0.0040802100000000, 0.0000000000000000, -0.0058762600000000 ] - [ 0.0012099200000000, 0.0002216700000000, -0.0000701300000000 ] - [ 0.0001796100000000, 0.0000000000000000, 0.0018908500000000 ] - [ -0.0005285200000000, 0.0000156200000000, 0.0012297400000000 ] - [ 0.0000161100000000, 0.0000000000000000, 0.0009173100000000 ] - [ 0.0012099200000000, -0.0002216700000000, -0.0000701300000000 ] - [ -0.0000338100000000, 0.0000000000000000, 0.0013750400000000 ] - [ 0.0002016900000000, -0.0001294600000000, 0.0013606400000000 ] - [ 0.0000577200000000, 0.0000000000000000, 0.0011732400000000 ] - [ 0.0003722800000000, 0.0002394700000000, 0.0015056200000000 ] - [ -0.0001003700000000, 0.0000000000000000, 0.0020026100000000 ] - [ 0.0002016900000000, 0.0001294600000000, 0.0013606400000000 ] - [ -0.0001011400000000, 0.0000000000000000, 0.0013553700000000 ] - [ 0.0001886800000000, -0.0001594300000000, 0.0012054600000000 ] - [ -0.0000656800000000, 0.0000000000000000, 0.0016218400000000 ] - [ -0.0000384200000000, 0.0000000000000000, 0.0019927300000000 ] - [ 0.0002037400000000, 0.0000467200000000, 0.0015095000000000 ] - [ 0.0002037400000000, -0.0000467200000000, 0.0015095000000000 ]- atom: 30 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0001592500000000, 0.0000000000000000, -0.0002349000000000 ] - [ -0.0000927400000000, 0.0000000000000000, -0.0000355000000000 ] - [ -0.0000065400000000, 0.0000000000000000, -0.0001556300000000 ] - [ -0.0000579600000000, 0.0000000000000000, -0.0000157900000000 ] - [ 0.0025291100000000, 0.0000000000000000, -0.0020006100000000 ] - [ 0.0006939300000000, 0.0000000000000000, 0.0000610100000000 ] - [ 0.0061430600000000, 0.0000000000000000, 0.0004573100000000 ] - [ 0.0036034500000000, 0.0000000000000000, -0.0052729100000000 ] - [ -0.0005820900000000, 0.0000000000000000, 0.0004242100000000 ] - [ 0.0019436300000000, 0.0000000000000000, 0.0014403600000000 ] - [ -0.0001234900000000, 0.0000000000000000, -0.0000093600000000 ] - [ -0.0000551900000000, 0.0000000000000000, -0.0000769800000000 ] - [ -0.0001066200000000, 0.0000000000000000, 0.0000711600000000 ] - [ -0.0001401100000000, 0.0000000000000000, 0.0000113500000000 ] - [ -0.0021488400000000, 0.0000000000000000, 0.0046857700000000 ] - [ -0.0004221400000000, 0.0000000000000000, -0.0001590800000000 ] - [ -0.0112302500000000, 0.0000000000000000, 0.0056203400000000 ] - [ 0.0121197500000000, 0.0000000000000000, 0.0051616700000000 ] - [ 0.0004812500000000, 0.0000000000000000, -0.0004512800000000 ] - [ 0.0001521400000000, 0.0000000000000000, -0.0015392300000000 ] - [ 0.0000702000000000, 0.0000000000000000, -0.0002452200000000 ] - [ 0.0002819200000000, 0.0000000000000000, -0.0000248900000000 ] - [ 0.0000743000000000, -0.0001561900000000, -0.0000825300000000 ] - [ -0.0001517200000000, 0.0000000000000000, -0.0000549200000000 ] - [ 0.0000743000000000, 0.0001561900000000, -0.0000825300000000 ] - [ -0.0002713600000000, 0.0000972400000000, -0.0000655600000000 ] - [ 0.0124369900000000, 0.0000000000000000, -0.0063913200000000 ] - [ 0.0007196700000000, 0.0000000000000000, -0.0009516300000000 ] - [ 0.0002034500000000, -0.0000651800000000, -0.0000967700000000 ] - [ -0.1635834700000000, 0.0000000000000000, -0.0018428200000000 ] - [ -0.0001527500000000, 0.0000000000000000, -0.0000501000000000 ] - [ 0.0035090100000000, -0.0005238200000000, 0.0015948100000000 ] - [ -0.0033037500000000, -0.0003883000000000, -0.0044722800000000 ] - [ -0.0000346000000000, 0.0000000000000000, -0.0008912900000000 ] - [ 0.0113528400000000, -0.0056534700000000, 0.0096250200000000 ] - [ -0.0013275700000000, 0.0000000000000000, 0.0027780100000000 ] - [ 0.0113528400000000, 0.0056534700000000, 0.0096250200000000 ] - [ -0.0005493300000000, 0.0000341100000000, -0.0005253200000000 ] - [ 0.0007677600000000, 0.0001696600000000, 0.0002030700000000 ] - [ -0.0084570300000000, 0.0000000000000000, 0.0000634500000000 ] - [ 0.0000435100000000, 0.0000000000000000, 0.0000751500000000 ] - [ -0.0000821300000000, 0.0000000000000000, -0.0001336300000000 ] - [ -0.0000429500000000, -0.0001497800000000, -0.0000738900000000 ] - [ -0.0001650500000000, 0.0000000000000000, 0.0000416700000000 ] - [ -0.0000429500000000, 0.0001497800000000, -0.0000738900000000 ] - [ 0.0002034500000000, 0.0000651800000000, -0.0000967700000000 ] - [ -0.0037324500000000, 0.0000000000000000, 0.0055045600000000 ] - [ -0.0013365600000000, 0.0000000000000000, 0.0007670700000000 ] - [ -0.0002713600000000, -0.0000972400000000, -0.0000655600000000 ] - [ 0.0069895800000000, 0.0000000000000000, 0.0003777900000000 ] - [ -0.0001850100000000, 0.0000000000000000, -0.0000775200000000 ] - [ -0.0033037500000000, 0.0003883000000000, -0.0044722800000000 ] - [ 0.0035090100000000, 0.0005238200000000, 0.0015948100000000 ] - [ -0.0000747400000000, 0.0000000000000000, 0.0007613000000000 ] - [ 0.0093006400000000, -0.0115056800000000, -0.0118509800000000 ] - [ 0.0007246700000000, 0.0000000000000000, -0.0031539300000000 ] - [ 0.0093006400000000, 0.0115056800000000, -0.0118509800000000 ] - [ 0.0007677600000000, -0.0001696600000000, 0.0002030700000000 ] - [ -0.0005493300000000, -0.0000341100000000, -0.0005253200000000 ] - [ 0.0037673500000000, 0.0000000000000000, -0.0002160400000000 ] - [ -0.0000666200000000, 0.0001463000000000, -0.0000169400000000 ] - [ -0.0001171300000000, 0.0000000000000000, 0.0002052600000000 ] - [ 0.0000190600000000, -0.0001194200000000, 0.0000877900000000 ] - [ -0.0000997900000000, 0.0000000000000000, 0.0000750100000000 ] - [ -0.0000651500000000, 0.0000000000000000, -0.0000046100000000 ] - [ -0.0000819800000000, -0.0000142500000000, 0.0001269400000000 ] - [ 0.0000323200000000, 0.0000000000000000, -0.0000503100000000 ] - [ -0.0000735700000000, -0.0000015900000000, 0.0000284700000000 ] - [ -0.0002798500000000, 0.0000000000000000, 0.0002688700000000 ] - [ -0.0000819800000000, 0.0000142500000000, 0.0001269400000000 ] - [ 0.0000043000000000, 0.0000000000000000, 0.0000730300000000 ] - [ -0.0000735700000000, 0.0000015900000000, 0.0000284700000000 ] - [ -0.0003176700000000, 0.0000000000000000, 0.0002167600000000 ] - [ -0.0011390700000000, -0.0000068800000000, 0.0002866200000000 ] - [ -0.0000850300000000, 0.0000000000000000, -0.0000417600000000 ] - [ -0.0002247900000000, 0.0000500200000000, -0.0001952000000000 ] - [ 0.0088551200000000, 0.0000000000000000, 0.0056262000000000 ] - [ 0.0010073700000000, 0.0002256200000000, -0.0000237500000000 ] - [ 0.0008641900000000, 0.0000000000000000, 0.0005036200000000 ] - [ 0.0002152600000000, -0.0002116300000000, 0.0003032400000000 ] - [ -0.0046485300000000, 0.0000000000000000, 0.0004795600000000 ] - [ 0.0230342700000000, -0.0317310500000000, 0.0092925600000000 ] - [ 0.0003549300000000, 0.0000000000000000, 0.0015879200000000 ] - [ -0.0018364600000000, 0.0013039500000000, 0.0045447500000000 ] - [ -0.0001640100000000, 0.0000000000000000, -0.0053746000000000 ] - [ -0.0073114700000000, -0.0023145100000000, -0.0009094700000000 ] - [ -0.0061085400000000, 0.0000000000000000, 0.0003972900000000 ] - [ -0.0018364600000000, -0.0013039500000000, 0.0045447500000000 ] - [ 0.0002419900000000, 0.0000000000000000, -0.0057636400000000 ] - [ -0.0004249200000000, 0.0001606400000000, -0.0012082100000000 ] - [ -0.0078617000000000, 0.0000000000000000, -0.0015254300000000 ] - [ 0.0052796300000000, -0.0016042300000000, 0.0032155400000000 ] - [ -0.0001512400000000, 0.0000000000000000, -0.0001212100000000 ] - [ -0.0004249200000000, -0.0001606400000000, -0.0012082100000000 ] - [ -0.0012168400000000, 0.0000000000000000, 0.0004125900000000 ] - [ -0.0028654600000000, 0.0004219000000000, -0.0011858800000000 ] - [ 0.0001186300000000, 0.0000000000000000, 0.0003616000000000 ] - [ 0.0009281500000000, 0.0000000000000000, 0.0002067400000000 ] - [ 0.0002835000000000, 0.0000486300000000, 0.0000459500000000 ] - [ 0.0002835000000000, -0.0000486300000000, 0.0000459500000000 ] - [ 0.0000190600000000, 0.0001194200000000, 0.0000877900000000 ] - [ -0.0000882000000000, 0.0000000000000000, 0.0001946200000000 ] - [ -0.0000666200000000, -0.0001463000000000, -0.0000169400000000 ] - [ 0.0000338800000000, 0.0000000000000000, 0.0000053400000000 ] - [ -0.0000974400000000, 0.0000000000000000, 0.0000085200000000 ] - [ -0.0000334600000000, -0.0000139900000000, 0.0000440300000000 ] - [ 0.0001146600000000, 0.0000000000000000, -0.0000968400000000 ] - [ -0.0000324300000000, 0.0000056600000000, 0.0000255000000000 ] - [ 0.0000361800000000, 0.0000000000000000, -0.0000246700000000 ] - [ -0.0000334600000000, 0.0000139900000000, 0.0000440300000000 ] - [ -0.0001072200000000, 0.0000000000000000, 0.0000194700000000 ] - [ -0.0000324300000000, -0.0000056600000000, 0.0000255000000000 ] - [ 0.0002431400000000, 0.0000000000000000, -0.0001554300000000 ] - [ 0.0010073700000000, -0.0002256200000000, -0.0000237500000000 ] - [ 0.0000354900000000, 0.0000000000000000, 0.0000586600000000 ] - [ 0.0002152600000000, 0.0002116300000000, 0.0003032400000000 ] - [ -0.0028206600000000, 0.0000000000000000, -0.0004730900000000 ] - [ -0.0011390700000000, 0.0000068800000000, 0.0002866200000000 ] - [ -0.0003680800000000, 0.0000000000000000, -0.0013114400000000 ] - [ -0.0002247900000000, -0.0000500200000000, -0.0001952000000000 ] - [ 0.0047627000000000, 0.0000000000000000, 0.0017529900000000 ] - [ -0.0073114700000000, 0.0023145100000000, -0.0009094700000000 ] - [ -0.0005297200000000, 0.0000000000000000, -0.0015257600000000 ] - [ -0.0027631400000000, 0.0017814000000000, -0.0047723900000000 ] - [ -0.0038363000000000, 0.0000000000000000, 0.0058305900000000 ] - [ 0.0230342700000000, 0.0317310500000000, 0.0092925600000000 ] - [ 0.0836181600000000, 0.0000000000000000, -0.0188159600000000 ] - [ -0.0027631400000000, -0.0017814000000000, -0.0047723900000000 ] - [ -0.0016962100000000, 0.0000000000000000, 0.0015999900000000 ] - [ 0.0002308500000000, -0.0002502800000000, 0.0010223200000000 ] - [ 0.0029569000000000, 0.0000000000000000, 0.0004696600000000 ] - [ -0.0028654600000000, -0.0004219000000000, -0.0011858800000000 ] - [ 0.0000629100000000, 0.0000000000000000, 0.0004862100000000 ] - [ 0.0002308500000000, 0.0002502800000000, 0.0010223200000000 ] - [ 0.0014394000000000, 0.0000000000000000, 0.0001865300000000 ] - [ 0.0052796300000000, 0.0016042300000000, 0.0032155400000000 ] - [ -0.0001592300000000, 0.0000000000000000, -0.0001229300000000 ] - [ -0.0006920000000000, 0.0000000000000000, -0.0001296700000000 ] - [ -0.0001586400000000, -0.0000241100000000, 0.0001289400000000 ] - [ -0.0001586400000000, 0.0000241100000000, 0.0001289400000000 ]- atom: 30 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0000942200000000, 0.0000000000000000, 0.0000798000000000 ] - [ -0.0000635000000000, 0.0000000000000000, 0.0000030000000000 ] - [ -0.0001103000000000, 0.0000000000000000, 0.0001369200000000 ] - [ -0.0001409500000000, 0.0000000000000000, 0.0001037600000000 ] - [ -0.0025457100000000, 0.0000000000000000, 0.0019843300000000 ] - [ -0.0006223000000000, 0.0000000000000000, -0.0000632500000000 ] - [ -0.0061208000000000, 0.0000000000000000, -0.0004382600000000 ] - [ -0.0035524100000000, 0.0000000000000000, 0.0051819100000000 ] - [ 0.0005320300000000, 0.0000000000000000, -0.0005005600000000 ] - [ -0.0016989500000000, 0.0000000000000000, -0.0014893300000000 ] - [ 0.0001888900000000, 0.0000000000000000, -0.0001459000000000 ] - [ -0.0001014100000000, 0.0000000000000000, 0.0000442100000000 ] - [ -0.0000132500000000, 0.0000000000000000, -0.0000880500000000 ] - [ -0.0000591200000000, 0.0000000000000000, 0.0000763600000000 ] - [ 0.0020917600000000, 0.0000000000000000, -0.0046843000000000 ] - [ 0.0004922300000000, 0.0000000000000000, 0.0001437300000000 ] - [ 0.0112395100000000, 0.0000000000000000, -0.0055521500000000 ] - [ -0.0120107000000000, 0.0000000000000000, -0.0052375100000000 ] - [ -0.0005317800000000, 0.0000000000000000, 0.0003740800000000 ] - [ 0.0000904000000000, 0.0000000000000000, 0.0014925700000000 ] - [ 0.0000471600000000, 0.0000000000000000, 0.0002118800000000 ] - [ -0.0001186700000000, 0.0000000000000000, 0.0000129400000000 ] - [ -0.0000372800000000, -0.0001414300000000, 0.0000580200000000 ] - [ -0.0001605200000000, 0.0000000000000000, 0.0001795800000000 ] - [ -0.0000372800000000, 0.0001414300000000, 0.0000580200000000 ] - [ 0.0002000600000000, 0.0000833300000000, 0.0000438100000000 ] - [ -0.0125008900000000, 0.0000000000000000, 0.0065030000000000 ] - [ -0.0007964800000000, 0.0000000000000000, 0.0010086700000000 ] - [ -0.0002727800000000, -0.0001149000000000, 0.0000782400000000 ] - [ 0.1588229800000000, 0.0000000000000000, 0.0045185300000000 ] - [ -0.0001869600000000, 0.0000000000000000, 0.0000608200000000 ] - [ -0.0034500600000000, 0.0004435600000000, -0.0015968500000000 ] - [ 0.0034053500000000, 0.0004319200000000, 0.0044104600000000 ] - [ -0.0000863100000000, 0.0000000000000000, 0.0009524100000000 ] - [ -0.0110753500000000, 0.0057135500000000, -0.0097235400000000 ] - [ 0.0012456600000000, 0.0000000000000000, -0.0027853900000000 ] - [ -0.0110753500000000, -0.0057135500000000, -0.0097235400000000 ] - [ 0.0005983500000000, -0.0000070400000000, 0.0004398100000000 ] - [ -0.0007165600000000, -0.0001973600000000, -0.0002895500000000 ] - [ 0.0085456800000000, 0.0000000000000000, -0.0000535200000000 ] - [ 0.0000739900000000, 0.0000000000000000, -0.0001085500000000 ] - [ 0.0002449300000000, 0.0000000000000000, 0.0001221600000000 ] - [ 0.0000808900000000, -0.0001468300000000, 0.0000485800000000 ] - [ -0.0001487300000000, 0.0000000000000000, 0.0000838300000000 ] - [ 0.0000808900000000, 0.0001468300000000, 0.0000485800000000 ] - [ -0.0002727800000000, 0.0001149000000000, 0.0000782400000000 ] - [ 0.0036613100000000, 0.0000000000000000, -0.0054426100000000 ] - [ 0.0012257900000000, 0.0000000000000000, -0.0007128700000000 ] - [ 0.0002000600000000, -0.0000833300000000, 0.0000438100000000 ] - [ -0.0068754300000000, 0.0000000000000000, -0.0005106000000000 ] - [ -0.0001544000000000, 0.0000000000000000, 0.0000871600000000 ] - [ 0.0034053500000000, -0.0004319200000000, 0.0044104600000000 ] - [ -0.0034500600000000, -0.0004435600000000, -0.0015968500000000 ] - [ -0.0000544200000000, 0.0000000000000000, -0.0006910600000000 ] - [ -0.0089593200000000, 0.0114475200000000, 0.0117401800000000 ] - [ -0.0008078300000000, 0.0000000000000000, 0.0031366500000000 ] - [ -0.0089593200000000, -0.0114475200000000, 0.0117401800000000 ] - [ -0.0007165600000000, 0.0001973600000000, -0.0002895500000000 ] - [ 0.0005983500000000, 0.0000070400000000, 0.0004398100000000 ] - [ -0.0036712800000000, 0.0000000000000000, 0.0001891900000000 ] - [ 0.0000146800000000, 0.0001238500000000, 0.0000072300000000 ] - [ -0.0000842200000000, 0.0000000000000000, 0.0000818500000000 ] - [ -0.0000707800000000, -0.0001506800000000, -0.0000977200000000 ] - [ 0.0000419200000000, 0.0000000000000000, -0.0000961100000000 ] - [ -0.0000851200000000, 0.0000000000000000, -0.0000718400000000 ] - [ -0.0000439900000000, -0.0000081300000000, -0.0000373800000000 ] - [ 0.0001140300000000, 0.0000000000000000, -0.0001881700000000 ] - [ -0.0000413900000000, -0.0000002900000000, -0.0000530000000000 ] - [ -0.0000273600000000, 0.0000000000000000, -0.0001118200000000 ] - [ -0.0000439900000000, 0.0000081300000000, -0.0000373800000000 ] - [ -0.0000981000000000, 0.0000000000000000, -0.0000508000000000 ] - [ -0.0000413900000000, 0.0000002900000000, -0.0000530000000000 ] - [ 0.0002559400000000, 0.0000000000000000, -0.0002792000000000 ] - [ 0.0011159900000000, -0.0001181600000000, -0.0004280400000000 ] - [ 0.0000410500000000, 0.0000000000000000, -0.0000582000000000 ] - [ 0.0002405800000000, 0.0001693100000000, 0.0002255200000000 ] - [ -0.0088420300000000, 0.0000000000000000, -0.0059980500000000 ] - [ -0.0010078700000000, -0.0000891400000000, -0.0000936900000000 ] - [ -0.0009267200000000, 0.0000000000000000, -0.0004346200000000 ] - [ -0.0001999000000000, -0.0000077300000000, -0.0002675000000000 ] - [ 0.0044854100000000, 0.0000000000000000, -0.0004497500000000 ] - [ -0.0230971800000000, 0.0324965900000000, -0.0095957700000000 ] - [ -0.0005226300000000, 0.0000000000000000, -0.0017486400000000 ] - [ 0.0018893000000000, -0.0013179600000000, -0.0043652700000000 ] - [ 0.0004152100000000, 0.0000000000000000, 0.0052829700000000 ] - [ 0.0072637400000000, 0.0022942700000000, 0.0008532600000000 ] - [ 0.0060986400000000, 0.0000000000000000, -0.0003067600000000 ] - [ 0.0018893000000000, 0.0013179600000000, -0.0043652700000000 ] - [ -0.0001672400000000, 0.0000000000000000, 0.0057922600000000 ] - [ 0.0004603800000000, -0.0001265800000000, 0.0012094200000000 ] - [ 0.0079583200000000, 0.0000000000000000, 0.0015987600000000 ] - [ -0.0050403000000000, 0.0017135200000000, -0.0032519100000000 ] - [ 0.0001136300000000, 0.0000000000000000, 0.0003678200000000 ] - [ 0.0004603800000000, 0.0001265800000000, 0.0012094200000000 ] - [ 0.0015394200000000, 0.0000000000000000, -0.0004924300000000 ] - [ 0.0030859900000000, -0.0005389400000000, 0.0011525400000000 ] - [ -0.0001407400000000, 0.0000000000000000, -0.0001381700000000 ] - [ -0.0008889700000000, 0.0000000000000000, -0.0002221700000000 ] - [ -0.0001848200000000, 0.0000014500000000, 0.0000098900000000 ] - [ -0.0001848200000000, -0.0000014500000000, 0.0000098900000000 ] - [ -0.0000707800000000, 0.0001506800000000, -0.0000977200000000 ] - [ -0.0001128700000000, 0.0000000000000000, 0.0000924400000000 ] - [ 0.0000146800000000, -0.0001238500000000, 0.0000072300000000 ] - [ -0.0000917800000000, 0.0000000000000000, -0.0000267000000000 ] - [ -0.0000533100000000, 0.0000000000000000, -0.0000848400000000 ] - [ -0.0000909000000000, -0.0000084800000000, 0.0000458900000000 ] - [ 0.0000318500000000, 0.0000000000000000, -0.0001418200000000 ] - [ -0.0000824200000000, -0.0000073100000000, -0.0000497000000000 ] - [ -0.0003379100000000, 0.0000000000000000, 0.0001856300000000 ] - [ -0.0000909000000000, 0.0000084800000000, 0.0000458900000000 ] - [ 0.0000134300000000, 0.0000000000000000, 0.0000013000000000 ] - [ -0.0000824200000000, 0.0000073100000000, -0.0000497000000000 ] - [ -0.0002991100000000, 0.0000000000000000, 0.0000949700000000 ] - [ -0.0010078700000000, 0.0000891400000000, -0.0000936900000000 ] - [ -0.0000795000000000, 0.0000000000000000, -0.0001569300000000 ] - [ -0.0001999000000000, 0.0000077300000000, -0.0002675000000000 ] - [ 0.0029386600000000, 0.0000000000000000, 0.0005018600000000 ] - [ 0.0011159900000000, 0.0001181600000000, -0.0004280400000000 ] - [ 0.0003353400000000, 0.0000000000000000, 0.0013506100000000 ] - [ 0.0002405800000000, -0.0001693100000000, 0.0002255200000000 ] - [ -0.0049250200000000, 0.0000000000000000, -0.0016974000000000 ] - [ 0.0072637400000000, -0.0022942700000000, 0.0008532600000000 ] - [ 0.0003761400000000, 0.0000000000000000, 0.0013547700000000 ] - [ 0.0028189900000000, -0.0017574100000000, 0.0049341000000000 ] - [ 0.0040997200000000, 0.0000000000000000, -0.0059029300000000 ] - [ -0.0230971800000000, -0.0324965900000000, -0.0095957700000000 ] - [ -0.0787332800000000, 0.0000000000000000, 0.0171721700000000 ] - [ 0.0028189900000000, 0.0017574100000000, 0.0049341000000000 ] - [ 0.0017837800000000, 0.0000000000000000, -0.0015721500000000 ] - [ -0.0001925100000000, 0.0002826100000000, -0.0010197400000000 ] - [ -0.0028901400000000, 0.0000000000000000, -0.0004202800000000 ] - [ 0.0030859900000000, 0.0005389400000000, 0.0011525400000000 ] - [ -0.0000999200000000, 0.0000000000000000, -0.0002392900000000 ] - [ -0.0001925100000000, -0.0002826100000000, -0.0010197400000000 ] - [ -0.0011153900000000, 0.0000000000000000, -0.0002675300000000 ] - [ -0.0050403000000000, -0.0017135200000000, -0.0032519100000000 ] - [ 0.0001362100000000, 0.0000000000000000, 0.0003465200000000 ] - [ 0.0007307300000000, 0.0000000000000000, 0.0001193400000000 ] - [ 0.0002575700000000, 0.0000744400000000, -0.0000724200000000 ] - [ 0.0002575700000000, -0.0000744400000000, -0.0000724200000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000328500000000, -0.0000171100000000, -0.0000775400000000 ] - [ -0.0000778400000000, 0.0000025800000000, -0.0000158500000000 ] - [ -0.0000589500000000, 0.0000125900000000, -0.0000088600000000 ] - [ -0.0000993600000000, 0.0000019400000000, 0.0000447900000000 ] - [ -0.0000102200000000, 0.0013426300000000, -0.0000147500000000 ] - [ 0.0000349600000000, 0.0000906200000000, -0.0000030800000000 ] - [ 0.0000206800000000, 0.0002943100000000, 0.0000183800000000 ] - [ -0.0000574900000000, 0.0181551200000000, -0.0000498700000000 ] - [ -0.0000251500000000, 0.0000747500000000, -0.0000373900000000 ] - [ 0.0001220100000000, 0.0001309100000000, -0.0000220200000000 ] - [ 0.0000323900000000, -0.0000145700000000, -0.0000776600000000 ] - [ -0.0000778000000000, 0.0000022700000000, -0.0000162400000000 ] - [ -0.0000586200000000, 0.0000064300000000, -0.0000088300000000 ] - [ -0.0000992700000000, 0.0000036500000000, 0.0000446400000000 ] - [ -0.0000221300000000, -0.0006460800000000, -0.0000301400000000 ] - [ 0.0000338000000000, 0.0001752000000000, -0.0000048900000000 ] - [ -0.0000159100000000, 0.0181944000000000, -0.0000303400000000 ] - [ -0.0000171000000000, -0.0005776400000000, -0.0000406700000000 ] - [ -0.0000236600000000, 0.0000999100000000, -0.0000381800000000 ] - [ 0.0001219100000000, 0.0013782700000000, -0.0000251600000000 ] - [ 0.0000589100000000, -0.0000050400000000, -0.0000171500000000 ] - [ 0.0000822400000000, 0.0000168700000000, -0.0000044900000000 ] - [ 0.0000168200000000, -0.0001491300000000, -0.0000145700000000 ] - [ -0.0001560100000000, -0.0000038300000000, 0.0000630800000000 ] - [ 0.0000207500000000, 0.0001491400000000, -0.0000090500000000 ] - [ -0.0000489800000000, 0.0000896000000000, -0.0000348000000000 ] - [ 0.0000105600000000, -0.0041965500000000, 0.0000151600000000 ] - [ -0.0000428900000000, -0.0003368700000000, 0.0000269800000000 ] - [ -0.0000313300000000, -0.0000897900000000, -0.0000030900000000 ] - [ 0.0024371200000000, -0.1666779200000000, 0.0015934300000000 ] - [ -0.0001693000000000, 0.0000002600000000, 0.0000055600000000 ] - [ 0.0004267000000000, -0.0000303000000000, 0.0003359400000000 ] - [ 0.0008035400000000, 0.0004444600000000, 0.0050362900000000 ] - [ -0.0000620600000000, -0.0000334800000000, 0.0000341300000000 ] - [ -0.0126461100000000, 0.0005842100000000, -0.0090865300000000 ] - [ -0.0000422000000000, -0.0004352800000000, -0.0000041200000000 ] - [ 0.0128986000000000, 0.0005851400000000, 0.0090361300000000 ] - [ -0.0000734800000000, 0.0000110800000000, -0.0001754100000000 ] - [ 0.0001023900000000, -0.0000186400000000, 0.0000004400000000 ] - [ 0.0000455700000000, -0.0042892200000000, -0.0000007200000000 ] - [ 0.0000583700000000, -0.0000085900000000, -0.0000166500000000 ] - [ 0.0000817800000000, 0.0000148700000000, -0.0000047300000000 ] - [ 0.0000169700000000, -0.0001491800000000, -0.0000146200000000 ] - [ -0.0001560000000000, -0.0000073400000000, 0.0000634900000000 ] - [ 0.0000203700000000, 0.0001489100000000, -0.0000090800000000 ] - [ -0.0000391600000000, 0.0000907200000000, -0.0000163000000000 ] - [ 0.0000558900000000, 0.0095902100000000, 0.0000601700000000 ] - [ -0.0000440500000000, -0.0004359200000000, 0.0000295500000000 ] - [ -0.0000211000000000, -0.0000906500000000, 0.0000152500000000 ] - [ 0.0000578800000000, -0.0008710800000000, -0.0000656100000000 ] - [ -0.0001693500000000, -0.0000012700000000, 0.0000055900000000 ] - [ -0.0007634900000000, 0.0004408000000000, -0.0050315500000000 ] - [ -0.0003792100000000, 0.0000491100000000, -0.0003573500000000 ] - [ -0.0000624500000000, 0.0000405500000000, 0.0000314800000000 ] - [ -0.0049246200000000, 0.0004584100000000, 0.0008423400000000 ] - [ -0.0000388500000000, -0.0003335000000000, -0.0000052300000000 ] - [ 0.0052240500000000, 0.0004073700000000, -0.0008930700000000 ] - [ -0.0000510700000000, 0.0000075900000000, -0.0000835800000000 ] - [ 0.0001222000000000, -0.0000155100000000, 0.0000902000000000 ] - [ 0.0000524300000000, 0.0000142200000000, -0.0000113000000000 ] - [ -0.0000258600000000, 0.0001333900000000, 0.0000008400000000 ] - [ -0.0001015900000000, -0.0000004800000000, 0.0001416800000000 ] - [ -0.0000256000000000, -0.0001340400000000, -0.0000090800000000 ] - [ -0.0000290700000000, -0.0000017000000000, -0.0000111400000000 ] - [ -0.0000750000000000, -0.0000004800000000, -0.0000385100000000 ] - [ -0.0000612200000000, -0.0000119000000000, 0.0000416400000000 ] - [ 0.0000745100000000, 0.0000015200000000, -0.0001203000000000 ] - [ -0.0000563000000000, -0.0000012300000000, -0.0000118500000000 ] - [ -0.0001527900000000, 0.0000150400000000, 0.0000782100000000 ] - [ -0.0000642600000000, 0.0000124400000000, 0.0000467900000000 ] - [ -0.0000469200000000, 0.0000019300000000, 0.0000102800000000 ] - [ -0.0000567100000000, 0.0000013700000000, -0.0000132900000000 ] - [ -0.0000286500000000, -0.0000121500000000, -0.0000317300000000 ] - [ 0.0002015000000000, -0.0000662100000000, -0.0003064500000000 ] - [ -0.0000214200000000, 0.0000012700000000, -0.0000505800000000 ] - [ 0.0000313800000000, 0.0001115800000000, 0.0000101700000000 ] - [ 0.0000697100000000, 0.0065648600000000, -0.0002099300000000 ] - [ 0.0005627400000000, 0.0004080600000000, 0.0006591900000000 ] - [ -0.0000262400000000, -0.0000049300000000, 0.0000335800000000 ] - [ -0.0000055400000000, -0.0001173700000000, 0.0000498800000000 ] - [ -0.0000828900000000, 0.0004141400000000, 0.0000201000000000 ] - [ -0.0291028800000000, 0.0670080900000000, -0.0203187900000000 ] - [ -0.0000746600000000, -0.0003458800000000, -0.0000859700000000 ] - [ 0.0020655800000000, -0.0005195900000000, -0.0031885700000000 ] - [ 0.0001318600000000, -0.0058416300000000, -0.0000464100000000 ] - [ 0.0005847700000000, 0.0002642500000000, 0.0002048500000000 ] - [ -0.0000041000000000, -0.0058284700000000, 0.0000476800000000 ] - [ -0.0019774500000000, -0.0005324100000000, 0.0033800300000000 ] - [ 0.0000440800000000, 0.0049590200000000, 0.0000128200000000 ] - [ 0.0001669300000000, -0.0000539300000000, 0.0002299100000000 ] - [ 0.0000282000000000, 0.0048787000000000, 0.0000208900000000 ] - [ -0.0023578100000000, -0.0004831300000000, 0.0030238200000000 ] - [ -0.0000181200000000, -0.0000377800000000, 0.0001219700000000 ] - [ -0.0001300700000000, -0.0000893000000000, -0.0002316300000000 ] - [ 0.0001609200000000, -0.0000110600000000, -0.0000405000000000 ] - [ 0.0000450500000000, -0.0000391300000000, -0.0001116800000000 ] - [ -0.0000107400000000, 0.0000237600000000, 0.0001114800000000 ] - [ 0.0000199400000000, 0.0001565100000000, -0.0000059200000000 ] - [ 0.0000473300000000, 0.0000220100000000, 0.0000515200000000 ] - [ 0.0000525300000000, -0.0000286400000000, 0.0000043100000000 ] - [ -0.0000262300000000, 0.0001339500000000, -0.0000008000000000 ] - [ -0.0001014300000000, 0.0000004000000000, 0.0001416400000000 ] - [ -0.0000263000000000, -0.0001341600000000, -0.0000106300000000 ] - [ -0.0000290600000000, -0.0000011300000000, -0.0000111700000000 ] - [ -0.0000749700000000, 0.0000003800000000, -0.0000384900000000 ] - [ -0.0000659500000000, -0.0000102900000000, 0.0000373900000000 ] - [ 0.0000747400000000, 0.0000012600000000, -0.0001205100000000 ] - [ -0.0000566000000000, -0.0000011300000000, -0.0000122800000000 ] - [ -0.0001519900000000, 0.0000781700000000, 0.0000785200000000 ] - [ -0.0000589700000000, 0.0000141100000000, 0.0000512000000000 ] - [ -0.0000472000000000, -0.0000004500000000, 0.0000101200000000 ] - [ -0.0000566400000000, 0.0000011200000000, -0.0000130000000000 ] - [ -0.0000295200000000, -0.0000666700000000, -0.0000315100000000 ] - [ -0.0005799900000000, 0.0002647000000000, -0.0007908800000000 ] - [ -0.0000217300000000, -0.0000011300000000, -0.0000505900000000 ] - [ 0.0000221900000000, 0.0001005200000000, -0.0000166600000000 ] - [ 0.0000629600000000, -0.0003799300000000, 0.0000153900000000 ] - [ -0.0002189800000000, 0.0000604800000000, 0.0001699700000000 ] - [ -0.0000191800000000, -0.0002313200000000, 0.0000264400000000 ] - [ -0.0000139500000000, -0.0001075700000000, 0.0000230100000000 ] - [ -0.0000786300000000, -0.0063301300000000, -0.0000312500000000 ] - [ -0.0006390300000000, 0.0002746500000000, -0.0002727400000000 ] - [ -0.0000783100000000, 0.0002863800000000, -0.0000794200000000 ] - [ 0.0012408200000000, -0.0005650300000000, 0.0009305200000000 ] - [ 0.0001340600000000, -0.0000209800000000, -0.0000395500000000 ] - [ 0.0269895200000000, 0.0637632000000000, 0.0188072200000000 ] - [ -0.0002079300000000, 0.0063681700000000, 0.0001244500000000 ] - [ -0.0011684900000000, -0.0005367000000000, -0.0007251900000000 ] - [ 0.0000366000000000, -0.0003280700000000, 0.0000168300000000 ] - [ -0.0001298000000000, 0.0000064300000000, 0.0002890700000000 ] - [ -0.0000208100000000, -0.0063745300000000, 0.0000414900000000 ] - [ 0.0001739600000000, 0.0000720000000000, 0.0000677900000000 ] - [ -0.0000179100000000, -0.0000282000000000, 0.0001229500000000 ] - [ 0.0001668700000000, -0.0000274100000000, -0.0002854700000000 ] - [ 0.0001634300000000, -0.0001882500000000, -0.0000403300000000 ] - [ 0.0025709100000000, -0.0006101200000000, -0.0030458600000000 ] - [ -0.0000111400000000, 0.0000286900000000, 0.0001109300000000 ] - [ 0.0000180700000000, 0.0000082200000000, -0.0000061100000000 ] - [ 0.0000351200000000, 0.0000199700000000, 0.0000489800000000 ] - [ 0.0000638400000000, -0.0000306700000000, 0.0000066500000000 ]- atom: 30 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0001267800000000, 0.0000000000000000, 0.0013928800000000 ] - [ -0.0002140400000000, 0.0000000000000000, 0.0014144800000000 ] - [ -0.0002872400000000, 0.0000000000000000, 0.0015675000000000 ] - [ -0.0000768600000000, 0.0000000000000000, 0.0016224200000000 ] - [ -0.0016586100000000, 0.0000000000000000, -0.0003347200000000 ] - [ 0.0002184700000000, 0.0000000000000000, 0.0008522500000000 ] - [ 0.0007052500000000, 0.0000000000000000, -0.0014369400000000 ] - [ 0.0007170800000000, 0.0000000000000000, -0.0145184300000000 ] - [ 0.0002937200000000, 0.0000000000000000, 0.0016209300000000 ] - [ 0.0021813300000000, 0.0000000000000000, 0.0017615500000000 ] - [ 0.0000860500000000, 0.0000000000000000, 0.0014825200000000 ] - [ -0.0002263300000000, 0.0000000000000000, 0.0014064800000000 ] - [ 0.0003318300000000, 0.0000000000000000, 0.0013014900000000 ] - [ -0.0000049600000000, 0.0000000000000000, 0.0017068300000000 ] - [ 0.0094848800000000, 0.0000000000000000, 0.0066786700000000 ] - [ 0.0000762400000000, 0.0000000000000000, 0.0031538100000000 ] - [ -0.0019426700000000, 0.0000000000000000, 0.0022801000000000 ] - [ 0.0016399500000000, 0.0000000000000000, -0.0080315800000000 ] - [ -0.0002140900000000, 0.0000000000000000, 0.0012595100000000 ] - [ -0.0015852600000000, 0.0000000000000000, 0.0024628400000000 ] - [ -0.0000731900000000, 0.0000000000000000, 0.0022751400000000 ] - [ 0.0002202300000000, 0.0000000000000000, 0.0023939900000000 ] - [ 0.0001651100000000, -0.0000687000000000, 0.0021881000000000 ] - [ -0.0003922000000000, 0.0000000000000000, 0.0024562000000000 ] - [ 0.0001651100000000, 0.0000687000000000, 0.0021881000000000 ] - [ 0.0000619900000000, -0.0001576700000000, 0.0025713600000000 ] - [ -0.0045029000000000, 0.0000000000000000, -0.0108453400000000 ] - [ -0.0030461000000000, 0.0000000000000000, 0.0014809900000000 ] - [ -0.0001313000000000, 0.0000724600000000, 0.0019282100000000 ] - [ -0.0256043300000000, 0.0000000000000000, -0.1614216900000000 ] - [ -0.0002225600000000, 0.0000000000000000, 0.0022726800000000 ] - [ 0.0018639800000000, -0.0001056100000000, -0.0014856600000000 ] - [ -0.0084723600000000, 0.0120757900000000, 0.0111802800000000 ] - [ -0.0009784400000000, 0.0000000000000000, 0.0024885700000000 ] - [ 0.0110089700000000, -0.0044803200000000, 0.0019040100000000 ] - [ 0.0005067900000000, 0.0000000000000000, 0.0026148300000000 ] - [ 0.0110089700000000, 0.0044803200000000, 0.0019040100000000 ] - [ -0.0003370100000000, -0.0002745500000000, 0.0025809800000000 ] - [ 0.0004729300000000, 0.0000520800000000, 0.0019326800000000 ] - [ -0.0011051700000000, 0.0000000000000000, 0.0120334400000000 ] - [ 0.0000470300000000, 0.0000000000000000, 0.0022189900000000 ] - [ 0.0001482900000000, 0.0000000000000000, 0.0026552700000000 ] - [ 0.0002154400000000, -0.0000708800000000, 0.0022556700000000 ] - [ -0.0000757100000000, 0.0000000000000000, 0.0023866500000000 ] - [ 0.0002154400000000, 0.0000708800000000, 0.0022556700000000 ] - [ -0.0001313000000000, -0.0000724600000000, 0.0019282100000000 ] - [ 0.0048646400000000, 0.0000000000000000, -0.0105519100000000 ] - [ 0.0025155700000000, 0.0000000000000000, 0.0023205600000000 ] - [ 0.0000619900000000, 0.0001576700000000, 0.0025713600000000 ] - [ 0.0014985700000000, 0.0000000000000000, -0.0074171200000000 ] - [ -0.0002536800000000, 0.0000000000000000, 0.0024370700000000 ] - [ -0.0084723600000000, -0.0120757900000000, 0.0111802800000000 ] - [ 0.0018639800000000, 0.0001056100000000, -0.0014856600000000 ] - [ 0.0006593900000000, 0.0000000000000000, 0.0014849700000000 ] - [ -0.0068262500000000, 0.0028403600000000, -0.0017314100000000 ] - [ -0.0008981900000000, 0.0000000000000000, 0.0011768700000000 ] - [ -0.0068262500000000, -0.0028403600000000, -0.0017314100000000 ] - [ 0.0004729300000000, -0.0000520800000000, 0.0019326800000000 ] - [ -0.0003370100000000, 0.0002745500000000, 0.0025809800000000 ] - [ 0.0003727700000000, 0.0000000000000000, 0.0006976400000000 ] - [ -0.0001853500000000, 0.0001809700000000, -0.0014554300000000 ] - [ -0.0000029200000000, 0.0000000000000000, -0.0018235300000000 ] - [ -0.0001612100000000, -0.0001675800000000, -0.0015068500000000 ] - [ 0.0001665900000000, 0.0000000000000000, -0.0015318500000000 ] - [ 0.0001137300000000, 0.0000000000000000, -0.0014424700000000 ] - [ -0.0001216500000000, 0.0001313300000000, -0.0012798300000000 ] - [ 0.0001421700000000, 0.0000000000000000, -0.0016657600000000 ] - [ -0.0001867700000000, -0.0001075600000000, -0.0013311800000000 ] - [ 0.0004063100000000, 0.0000000000000000, -0.0017674400000000 ] - [ -0.0001216500000000, -0.0001313300000000, -0.0012798300000000 ] - [ 0.0002680600000000, 0.0000000000000000, -0.0015511900000000 ] - [ -0.0001867700000000, 0.0001075600000000, -0.0013311800000000 ] - [ 0.0005241000000000, 0.0000000000000000, -0.0011104300000000 ] - [ 0.0008350100000000, -0.0003404100000000, 0.0002039100000000 ] - [ 0.0000468000000000, 0.0000000000000000, -0.0017855400000000 ] - [ -0.0002573800000000, 0.0000049900000000, -0.0009032800000000 ] - [ 0.0085414700000000, 0.0000000000000000, 0.0888103100000000 ] - [ -0.0025643600000000, -0.0022713000000000, -0.0044557300000000 ] - [ 0.0045475300000000, 0.0000000000000000, -0.0047717800000000 ] - [ 0.0000320400000000, -0.0000922500000000, -0.0017135000000000 ] - [ -0.0007888900000000, 0.0000000000000000, 0.0029751300000000 ] - [ 0.0129246200000000, -0.0268410700000000, 0.0195592400000000 ] - [ 0.0011140000000000, 0.0000000000000000, -0.0008747800000000 ] - [ 0.0053806100000000, -0.0018674300000000, 0.0049167000000000 ] - [ -0.0012175100000000, 0.0000000000000000, -0.0014618000000000 ] - [ 0.0006610200000000, 0.0007010000000000, 0.0031202000000000 ] - [ -0.0045847200000000, 0.0000000000000000, 0.0039497200000000 ] - [ 0.0053806100000000, 0.0018674300000000, 0.0049167000000000 ] - [ -0.0040683400000000, 0.0000000000000000, -0.0037127200000000 ] - [ -0.0006825300000000, -0.0000127300000000, -0.0016054900000000 ] - [ -0.0041543900000000, 0.0000000000000000, 0.0058037300000000 ] - [ 0.0032895700000000, 0.0019798600000000, -0.0026993100000000 ] - [ -0.0000812800000000, 0.0000000000000000, -0.0016953000000000 ] - [ -0.0006825300000000, 0.0000127300000000, -0.0016054900000000 ] - [ 0.0001414500000000, 0.0000000000000000, -0.0009224500000000 ] - [ -0.0010601500000000, 0.0001639400000000, 0.0001378000000000 ] - [ 0.0002200500000000, 0.0000000000000000, -0.0014732600000000 ] - [ 0.0002143400000000, 0.0000000000000000, -0.0032227000000000 ] - [ -0.0001599300000000, -0.0000210400000000, -0.0015887500000000 ] - [ -0.0001599300000000, 0.0000210400000000, -0.0015887500000000 ] - [ -0.0001612100000000, 0.0001675800000000, -0.0015068500000000 ] - [ -0.0000465600000000, 0.0000000000000000, -0.0018536800000000 ] - [ -0.0001853500000000, -0.0001809700000000, -0.0014554300000000 ] - [ 0.0000832200000000, 0.0000000000000000, -0.0016062700000000 ] - [ 0.0001805200000000, 0.0000000000000000, -0.0014383500000000 ] - [ -0.0003923600000000, 0.0001804300000000, -0.0013919900000000 ] - [ 0.0000875100000000, 0.0000000000000000, -0.0017287600000000 ] - [ -0.0002295900000000, -0.0001211600000000, -0.0014022500000000 ] - [ -0.0004815400000000, 0.0000000000000000, -0.0026089700000000 ] - [ -0.0003923600000000, -0.0001804300000000, -0.0013919900000000 ] - [ 0.0002024200000000, 0.0000000000000000, -0.0013067200000000 ] - [ -0.0002295900000000, 0.0001211600000000, -0.0014022500000000 ] - [ -0.0002888600000000, 0.0000000000000000, -0.0016653000000000 ] - [ -0.0025643600000000, 0.0022713000000000, -0.0044557300000000 ] - [ 0.0000770600000000, 0.0000000000000000, -0.0020777200000000 ] - [ 0.0000320400000000, 0.0000922500000000, -0.0017135000000000 ] - [ -0.0003788800000000, 0.0000000000000000, 0.0042698500000000 ] - [ 0.0008350100000000, 0.0003404100000000, 0.0002039100000000 ] - [ -0.0015548900000000, 0.0000000000000000, 0.0001352200000000 ] - [ -0.0002573800000000, -0.0000049900000000, -0.0009032800000000 ] - [ 0.0002021900000000, 0.0000000000000000, 0.0045074300000000 ] - [ 0.0006610200000000, -0.0007010000000000, 0.0031202000000000 ] - [ -0.0012737700000000, 0.0000000000000000, -0.0003349000000000 ] - [ -0.0047674100000000, 0.0017839000000000, 0.0024354200000000 ] - [ 0.0011527500000000, 0.0000000000000000, 0.0007303200000000 ] - [ 0.0129246200000000, 0.0268410700000000, 0.0195592400000000 ] - [ -0.0085423900000000, 0.0000000000000000, 0.0124754300000000 ] - [ -0.0047674100000000, -0.0017839000000000, 0.0024354200000000 ] - [ 0.0012417700000000, 0.0000000000000000, 0.0006165600000000 ] - [ 0.0005398400000000, 0.0000407500000000, -0.0012641800000000 ] - [ 0.0025010100000000, 0.0000000000000000, 0.0068958300000000 ] - [ -0.0010601500000000, -0.0001639400000000, 0.0001378000000000 ] - [ 0.0001666500000000, 0.0000000000000000, -0.0017440700000000 ] - [ 0.0005398400000000, -0.0000407500000000, -0.0012641800000000 ] - [ 0.0003193800000000, 0.0000000000000000, -0.0019504300000000 ] - [ 0.0032895700000000, -0.0019798600000000, -0.0026993100000000 ] - [ -0.0001037500000000, 0.0000000000000000, -0.0013362400000000 ] - [ -0.0000084800000000, 0.0000000000000000, -0.0011775800000000 ] - [ 0.0000031400000000, 0.0000339200000000, -0.0012636900000000 ] - [ 0.0000031400000000, -0.0000339200000000, -0.0012636900000000 ]- atom: 30 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0001935500000000, 0.0000000000000000, -0.0015484300000000 ] - [ 0.0000587000000000, 0.0000000000000000, -0.0014475700000000 ] - [ 0.0001689500000000, 0.0000000000000000, -0.0015853900000000 ] - [ -0.0001217000000000, 0.0000000000000000, -0.0015350000000000 ] - [ 0.0016404300000000, 0.0000000000000000, 0.0003073300000000 ] - [ -0.0001473200000000, 0.0000000000000000, -0.0008593300000000 ] - [ -0.0006670600000000, 0.0000000000000000, 0.0014857800000000 ] - [ -0.0006987800000000, 0.0000000000000000, 0.0144064200000000 ] - [ -0.0003455200000000, 0.0000000000000000, -0.0016991900000000 ] - [ -0.0019564500000000, 0.0000000000000000, -0.0018115900000000 ] - [ -0.0000211100000000, 0.0000000000000000, -0.0016389300000000 ] - [ 0.0000711800000000, 0.0000000000000000, -0.0014401400000000 ] - [ -0.0004493300000000, 0.0000000000000000, -0.0013195900000000 ] - [ -0.0001935000000000, 0.0000000000000000, -0.0016192400000000 ] - [ -0.0094715100000000, 0.0000000000000000, -0.0066166100000000 ] - [ -0.0000059800000000, 0.0000000000000000, -0.0031609100000000 ] - [ 0.0019645600000000, 0.0000000000000000, -0.0021830200000000 ] - [ -0.0016405900000000, 0.0000000000000000, 0.0079290200000000 ] - [ 0.0001670800000000, 0.0000000000000000, -0.0013352500000000 ] - [ 0.0018427300000000, 0.0000000000000000, -0.0025174800000000 ] - [ 0.0001906400000000, 0.0000000000000000, -0.0023100700000000 ] - [ -0.0000561900000000, 0.0000000000000000, -0.0024049100000000 ] - [ -0.0001270800000000, -0.0002291600000000, -0.0022130900000000 ] - [ 0.0000787400000000, 0.0000000000000000, -0.0023314000000000 ] - [ -0.0001270800000000, 0.0002291600000000, -0.0022130900000000 ] - [ -0.0001314900000000, 0.0003385200000000, -0.0025913800000000 ] - [ 0.0045217500000000, 0.0000000000000000, 0.0108430500000000 ] - [ 0.0029526100000000, 0.0000000000000000, -0.0014285900000000 ] - [ 0.0000615000000000, -0.0002531000000000, -0.0019483100000000 ] - [ 0.0262036700000000, 0.0000000000000000, 0.1550084400000000 ] - [ -0.0001148500000000, 0.0000000000000000, -0.0022619600000000 ] - [ -0.0018068500000000, 0.0000234500000000, 0.0014663900000000 ] - [ 0.0084772000000000, -0.0119444300000000, -0.0110827200000000 ] - [ 0.0008546900000000, 0.0000000000000000, -0.0024233300000000 ] - [ -0.0107715900000000, 0.0045103300000000, -0.0018914700000000 ] - [ -0.0005943400000000, 0.0000000000000000, -0.0026208500000000 ] - [ -0.0107715900000000, -0.0045103300000000, -0.0018914700000000 ] - [ 0.0003905900000000, 0.0003040200000000, -0.0026697300000000 ] - [ -0.0004247000000000, -0.0000790100000000, -0.0020163700000000 ] - [ 0.0012198200000000, 0.0000000000000000, -0.0121573400000000 ] - [ 0.0000690200000000, 0.0000000000000000, -0.0022532900000000 ] - [ 0.0000160500000000, 0.0000000000000000, -0.0026681100000000 ] - [ -0.0001775700000000, -0.0002270200000000, -0.0022810200000000 ] - [ -0.0002374200000000, 0.0000000000000000, -0.0022619000000000 ] - [ -0.0001775700000000, 0.0002270200000000, -0.0022810200000000 ] - [ 0.0000615000000000, 0.0002531000000000, -0.0019483100000000 ] - [ -0.0048612000000000, 0.0000000000000000, 0.0105239300000000 ] - [ -0.0026068600000000, 0.0000000000000000, -0.0022633100000000 ] - [ -0.0001314900000000, -0.0003385200000000, -0.0025913800000000 ] - [ -0.0013934600000000, 0.0000000000000000, 0.0072731900000000 ] - [ -0.0000837700000000, 0.0000000000000000, -0.0024264100000000 ] - [ 0.0084772000000000, 0.0119444300000000, -0.0110827200000000 ] - [ -0.0018068500000000, -0.0000234500000000, 0.0014663900000000 ] - [ -0.0007824800000000, 0.0000000000000000, -0.0014206600000000 ] - [ 0.0071056300000000, -0.0028426500000000, 0.0017645500000000 ] - [ 0.0008213100000000, 0.0000000000000000, -0.0011794600000000 ] - [ 0.0071056300000000, 0.0028426500000000, 0.0017645500000000 ] - [ -0.0004247000000000, 0.0000790100000000, -0.0020163700000000 ] - [ 0.0003905900000000, -0.0003040200000000, -0.0026697300000000 ] - [ -0.0002764800000000, 0.0000000000000000, -0.0007104400000000 ] - [ 0.0001341600000000, 0.0000875000000000, 0.0014459400000000 ] - [ -0.0001986000000000, 0.0000000000000000, 0.0021102400000000 ] - [ 0.0001097900000000, -0.0001011000000000, 0.0014976600000000 ] - [ -0.0002247800000000, 0.0000000000000000, 0.0015101800000000 ] - [ -0.0002616500000000, 0.0000000000000000, 0.0013661000000000 ] - [ -0.0000032200000000, -0.0001553800000000, 0.0013691000000000 ] - [ 0.0000052700000000, 0.0000000000000000, 0.0014274900000000 ] - [ 0.0000716900000000, 0.0001032300000000, 0.0013060700000000 ] - [ -0.0007119300000000, 0.0000000000000000, 0.0019258700000000 ] - [ -0.0000032200000000, 0.0001553800000000, 0.0013691000000000 ] - [ -0.0003619500000000, 0.0000000000000000, 0.0015718600000000 ] - [ 0.0000716900000000, -0.0001032300000000, 0.0013060700000000 ] - [ -0.0005812700000000, 0.0000000000000000, 0.0010489900000000 ] - [ -0.0008530800000000, 0.0002127200000000, -0.0003381600000000 ] - [ -0.0000888800000000, 0.0000000000000000, 0.0016873000000000 ] - [ 0.0002739200000000, 0.0002125600000000, 0.0009362200000000 ] - [ -0.0082618000000000, 0.0000000000000000, -0.0832707700000000 ] - [ 0.0025517700000000, 0.0024072800000000, 0.0043178400000000 ] - [ -0.0045952800000000, 0.0000000000000000, 0.0048260100000000 ] - [ -0.0000153900000000, -0.0001256300000000, 0.0017458600000000 ] - [ 0.0006169300000000, 0.0000000000000000, -0.0029278000000000 ] - [ -0.0131222400000000, 0.0272495500000000, -0.0194850800000000 ] - [ -0.0012665400000000, 0.0000000000000000, 0.0007176700000000 ] - [ -0.0052885800000000, 0.0018577100000000, -0.0046932800000000 ] - [ 0.0014792400000000, 0.0000000000000000, 0.0013594500000000 ] - [ -0.0006965000000000, -0.0007154600000000, -0.0031822200000000 ] - [ 0.0045780400000000, 0.0000000000000000, -0.0038637000000000 ] - [ -0.0052885800000000, -0.0018577100000000, -0.0046932800000000 ] - [ 0.0042002500000000, 0.0000000000000000, 0.0037491400000000 ] - [ 0.0007238400000000, 0.0000471000000000, 0.0016084800000000 ] - [ 0.0041967900000000, 0.0000000000000000, -0.0057747500000000 ] - [ -0.0030968300000000, -0.0018869700000000, 0.0026557100000000 ] - [ 0.0000446800000000, 0.0000000000000000, 0.0019406700000000 ] - [ 0.0007238400000000, -0.0000471000000000, 0.0016084800000000 ] - [ 0.0001823100000000, 0.0000000000000000, 0.0008378600000000 ] - [ 0.0012879800000000, -0.0002773200000000, -0.0001883800000000 ] - [ -0.0002431600000000, 0.0000000000000000, 0.0016977100000000 ] - [ -0.0001754700000000, 0.0000000000000000, 0.0032227700000000 ] - [ 0.0002603700000000, 0.0000706800000000, 0.0016461600000000 ] - [ 0.0002603700000000, -0.0000706800000000, 0.0016461600000000 ] - [ 0.0001097900000000, 0.0001011000000000, 0.0014976600000000 ] - [ -0.0001548800000000, 0.0000000000000000, 0.0021406800000000 ] - [ 0.0001341600000000, -0.0000875000000000, 0.0014459400000000 ] - [ -0.0001408600000000, 0.0000000000000000, 0.0015848200000000 ] - [ -0.0003284800000000, 0.0000000000000000, 0.0013618200000000 ] - [ 0.0002676200000000, -0.0002042400000000, 0.0014814400000000 ] - [ 0.0000605200000000, 0.0000000000000000, 0.0014905100000000 ] - [ 0.0001146800000000, 0.0001169800000000, 0.0013772300000000 ] - [ 0.0001767600000000, 0.0000000000000000, 0.0027681000000000 ] - [ 0.0002676200000000, 0.0002042400000000, 0.0014814400000000 ] - [ -0.0002962200000000, 0.0000000000000000, 0.0013273000000000 ] - [ 0.0001146800000000, -0.0001169800000000, 0.0013772300000000 ] - [ 0.0002308300000000, 0.0000000000000000, 0.0016030900000000 ] - [ 0.0025517700000000, -0.0024072800000000, 0.0043178400000000 ] - [ -0.0001193500000000, 0.0000000000000000, 0.0019793200000000 ] - [ -0.0000153900000000, 0.0001256300000000, 0.0017458600000000 ] - [ 0.0004992400000000, 0.0000000000000000, -0.0042309900000000 ] - [ -0.0008530800000000, -0.0002127200000000, -0.0003381600000000 ] - [ 0.0015156000000000, 0.0000000000000000, -0.0000868700000000 ] - [ 0.0002739200000000, -0.0002125600000000, 0.0009362200000000 ] - [ -0.0003621500000000, 0.0000000000000000, -0.0044565200000000 ] - [ -0.0006965000000000, 0.0007154600000000, -0.0031822200000000 ] - [ 0.0011149600000000, 0.0000000000000000, 0.0001769300000000 ] - [ 0.0048039100000000, -0.0017691900000000, -0.0022234800000000 ] - [ -0.0008890800000000, 0.0000000000000000, -0.0008248300000000 ] - [ -0.0131222400000000, -0.0272495500000000, -0.0194850800000000 ] - [ 0.0082954400000000, 0.0000000000000000, -0.0122368800000000 ] - [ 0.0048039100000000, 0.0017691900000000, -0.0022234800000000 ] - [ -0.0011615500000000, 0.0000000000000000, -0.0006058900000000 ] - [ -0.0005066400000000, -0.0000091400000000, 0.0012658400000000 ] - [ -0.0024320700000000, 0.0000000000000000, -0.0068677100000000 ] - [ 0.0012879800000000, 0.0002773200000000, -0.0001883800000000 ] - [ -0.0002048900000000, 0.0000000000000000, 0.0019902100000000 ] - [ -0.0005066400000000, 0.0000091400000000, 0.0012658400000000 ] - [ 0.0000048900000000, 0.0000000000000000, 0.0018717100000000 ] - [ -0.0030968300000000, 0.0018869700000000, 0.0026557100000000 ] - [ 0.0000829100000000, 0.0000000000000000, 0.0015593600000000 ] - [ 0.0000487900000000, 0.0000000000000000, 0.0011590900000000 ] - [ 0.0000959900000000, 0.0000151100000000, 0.0013187400000000 ] - [ 0.0000959900000000, -0.0000151100000000, 0.0013187400000000 ]- atom: 31 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0009001000000000, 0.0000000000000000, 0.0017974400000000 ] - [ 0.0064098700000000, 0.0000000000000000, 0.0004815300000000 ] - [ 0.0025394800000000, 0.0000000000000000, -0.0020750200000000 ] - [ 0.0034059200000000, 0.0000000000000000, -0.0051762000000000 ] - [ 0.0000453500000000, 0.0000000000000000, -0.0001622100000000 ] - [ -0.0004320000000000, 0.0000000000000000, -0.0001530000000000 ] - [ 0.0000034200000000, 0.0000000000000000, 0.0000031800000000 ] - [ 0.0000445800000000, 0.0000000000000000, -0.0000897800000000 ] - [ 0.0004861800000000, 0.0000000000000000, -0.0004283100000000 ] - [ 0.0002504700000000, 0.0000000000000000, -0.0000318500000000 ] - [ 0.0005773600000000, 0.0000000000000000, -0.0022853700000000 ] - [ -0.0112805300000000, 0.0000000000000000, 0.0054446200000000 ] - [ -0.0021960900000000, 0.0000000000000000, 0.0047294900000000 ] - [ 0.0119447100000000, 0.0000000000000000, 0.0053054600000000 ] - [ -0.0000534600000000, 0.0000000000000000, 0.0000660900000000 ] - [ 0.0007033400000000, 0.0000000000000000, 0.0000583400000000 ] - [ 0.0000398200000000, 0.0000000000000000, -0.0000413800000000 ] - [ -0.0000393500000000, 0.0000000000000000, -0.0000612400000000 ] - [ -0.0005804600000000, 0.0000000000000000, 0.0003822100000000 ] - [ 0.0000228400000000, 0.0000000000000000, -0.0001032700000000 ] - [ -0.0075170900000000, 0.0000000000000000, 0.0000211300000000 ] - [ 0.0026294900000000, 0.0000000000000000, 0.0021597800000000 ] - [ 0.0111099500000000, -0.0054716200000000, 0.0095683000000000 ] - [ 0.0126371100000000, 0.0000000000000000, -0.0063425500000000 ] - [ 0.0111099500000000, 0.0054716200000000, 0.0095683000000000 ] - [ 0.0034935900000000, -0.0003959800000000, 0.0016197300000000 ] - [ 0.0000050700000000, 0.0000000000000000, -0.0000942100000000 ] - [ -0.0000201000000000, 0.0000000000000000, -0.0009130500000000 ] - [ -0.0034859800000000, -0.0004974900000000, -0.0044835000000000 ] - [ 0.0000691200000000, 0.0000000000000000, -0.0001165100000000 ] - [ -0.1590288700000000, 0.0000000000000000, -0.0045471400000000 ] - [ -0.0002168600000000, -0.0000342800000000, -0.0000640300000000 ] - [ 0.0002647100000000, 0.0000662500000000, -0.0000982900000000 ] - [ 0.0006996900000000, 0.0000000000000000, -0.0009544100000000 ] - [ 0.0001987400000000, -0.0000148100000000, -0.0000871900000000 ] - [ 0.0001907800000000, 0.0000000000000000, -0.0002309700000000 ] - [ 0.0001987400000000, 0.0000148100000000, -0.0000871900000000 ] - [ -0.0004814600000000, -0.0001343700000000, -0.0006067600000000 ] - [ 0.0007214200000000, 0.0000304500000000, 0.0003151100000000 ] - [ 0.0000642700000000, 0.0000000000000000, -0.0002611600000000 ] - [ 0.0038676800000000, 0.0000000000000000, -0.0002177600000000 ] - [ -0.0000032900000000, 0.0000000000000000, -0.0022342600000000 ] - [ 0.0089603000000000, -0.0117386400000000, -0.0116166600000000 ] - [ -0.0039249500000000, 0.0000000000000000, 0.0054632300000000 ] - [ 0.0089603000000000, 0.0117386400000000, -0.0116166600000000 ] - [ -0.0034859800000000, 0.0004974900000000, -0.0044835000000000 ] - [ -0.0000066500000000, 0.0000000000000000, 0.0000043900000000 ] - [ -0.0000543900000000, 0.0000000000000000, 0.0007661900000000 ] - [ 0.0034935900000000, 0.0003959800000000, 0.0016197300000000 ] - [ 0.0000364700000000, 0.0000000000000000, -0.0001424500000000 ] - [ 0.0068815400000000, 0.0000000000000000, 0.0004669100000000 ] - [ 0.0002647100000000, -0.0000662500000000, -0.0000982900000000 ] - [ -0.0002168600000000, 0.0000342800000000, -0.0000640300000000 ] - [ -0.0013440500000000, 0.0000000000000000, 0.0007737600000000 ] - [ 0.0000739600000000, -0.0000108900000000, -0.0000758700000000 ] - [ -0.0003426000000000, 0.0000000000000000, 0.0000794500000000 ] - [ 0.0000739600000000, 0.0000108900000000, -0.0000758700000000 ] - [ 0.0007214200000000, -0.0000304500000000, 0.0003151100000000 ] - [ -0.0004814600000000, 0.0001343700000000, -0.0006067600000000 ] - [ 0.0000285400000000, 0.0000000000000000, 0.0001004900000000 ] - [ -0.0030328900000000, 0.0006045100000000, -0.0011474500000000 ] - [ -0.0080760200000000, 0.0000000000000000, -0.0015108400000000 ] - [ 0.0047624200000000, -0.0017868400000000, 0.0031182100000000 ] - [ -0.0002747300000000, 0.0000000000000000, -0.0058599400000000 ] - [ 0.0796067200000000, 0.0000000000000000, -0.0180116300000000 ] - [ -0.0019848100000000, -0.0013873900000000, 0.0045762600000000 ] - [ -0.0005308600000000, 0.0000000000000000, -0.0049923000000000 ] - [ 0.0228025800000000, 0.0324899300000000, 0.0097642000000000 ] - [ 0.0003069900000000, 0.0000000000000000, 0.0017866000000000 ] - [ -0.0019848100000000, 0.0013873900000000, 0.0045762600000000 ] - [ -0.0046774200000000, 0.0000000000000000, 0.0004769600000000 ] - [ 0.0228025800000000, -0.0324899300000000, 0.0097642000000000 ] - [ 0.0008868300000000, 0.0000000000000000, 0.0004456000000000 ] - [ 0.0002016800000000, -0.0001644000000000, 0.0002199500000000 ] - [ 0.0086800700000000, 0.0000000000000000, 0.0062939300000000 ] - [ 0.0010240100000000, 0.0002674600000000, 0.0000410600000000 ] - [ -0.0000002500000000, 0.0000000000000000, 0.0000202300000000 ] - [ -0.0002449100000000, 0.0000030800000000, -0.0002805500000000 ] - [ -0.0003069500000000, 0.0000000000000000, 0.0002766800000000 ] - [ -0.0011400100000000, -0.0000559600000000, 0.0003809500000000 ] - [ -0.0000304300000000, 0.0000000000000000, 0.0000801500000000 ] - [ -0.0000419700000000, 0.0000118900000000, 0.0000067900000000 ] - [ -0.0002060600000000, 0.0000000000000000, 0.0001119400000000 ] - [ 0.0000170800000000, 0.0000029700000000, 0.0001847400000000 ] - [ 0.0000878900000000, 0.0000000000000000, 0.0000513800000000 ] - [ -0.0000004700000000, -0.0000052800000000, 0.0000014900000000 ] - [ -0.0000125400000000, 0.0000000000000000, 0.0000855300000000 ] - [ 0.0000170800000000, -0.0000029700000000, 0.0001847400000000 ] - [ -0.0000354900000000, 0.0000000000000000, 0.0000902400000000 ] - [ -0.0002076800000000, 0.0000303000000000, 0.0000606400000000 ] - [ 0.0000096300000000, 0.0000000000000000, 0.0000779100000000 ] - [ 0.0001575400000000, 0.0000777700000000, 0.0000702000000000 ] - [ -0.0007518300000000, 0.0000000000000000, 0.0000460700000000 ] - [ -0.0002076800000000, -0.0000303000000000, 0.0000606400000000 ] - [ 0.0000925400000000, 0.0000000000000000, -0.0002767900000000 ] - [ 0.0000707700000000, -0.0000462500000000, -0.0000405200000000 ] - [ 0.0010903200000000, 0.0000000000000000, 0.0006493300000000 ] - [ 0.0000615300000000, 0.0000000000000000, 0.0003974000000000 ] - [ 0.0001442200000000, 0.0001300400000000, 0.0010106100000000 ] - [ 0.0001442200000000, -0.0001300400000000, 0.0010106100000000 ] - [ 0.0047624200000000, 0.0017868400000000, 0.0031182100000000 ] - [ 0.0028811000000000, 0.0000000000000000, 0.0005912800000000 ] - [ -0.0030328900000000, -0.0006045100000000, -0.0011474500000000 ] - [ -0.0016774600000000, 0.0000000000000000, 0.0016922700000000 ] - [ -0.0062431100000000, 0.0000000000000000, 0.0004114900000000 ] - [ -0.0029116900000000, -0.0018087800000000, -0.0048590400000000 ] - [ -0.0041880400000000, 0.0000000000000000, 0.0054460700000000 ] - [ -0.0073517100000000, -0.0023688400000000, -0.0009584700000000 ] - [ -0.0006130600000000, 0.0000000000000000, -0.0013871700000000 ] - [ -0.0029116900000000, 0.0018087800000000, -0.0048590400000000 ] - [ 0.0048648500000000, 0.0000000000000000, 0.0017472600000000 ] - [ -0.0073517100000000, 0.0023688400000000, -0.0009584700000000 ] - [ -0.0003903400000000, 0.0000000000000000, -0.0013691100000000 ] - [ -0.0002449100000000, -0.0000030800000000, -0.0002805500000000 ] - [ -0.0029641600000000, 0.0000000000000000, -0.0005375400000000 ] - [ -0.0011400100000000, 0.0000559600000000, 0.0003809500000000 ] - [ 0.0001219800000000, 0.0000000000000000, 0.0001206800000000 ] - [ 0.0002016800000000, 0.0001644000000000, 0.0002199500000000 ] - [ 0.0002560700000000, 0.0000000000000000, -0.0001029500000000 ] - [ 0.0010240100000000, -0.0002674600000000, 0.0000410600000000 ] - [ -0.0001454700000000, 0.0000000000000000, 0.0000274200000000 ] - [ -0.0000004700000000, 0.0000052800000000, 0.0000014900000000 ] - [ 0.0001106900000000, 0.0000000000000000, -0.0001889700000000 ] - [ 0.0000660900000000, 0.0000027400000000, 0.0001001100000000 ] - [ 0.0001739200000000, 0.0000000000000000, -0.0000059800000000 ] - [ -0.0000419700000000, -0.0000118900000000, 0.0000067900000000 ] - [ 0.0000206900000000, 0.0000000000000000, 0.0000739700000000 ] - [ 0.0000660900000000, -0.0000027400000000, 0.0001001100000000 ] - [ 0.0001052700000000, 0.0000000000000000, 0.0000204900000000 ] - [ 0.0002858300000000, 0.0000218100000000, 0.0000514400000000 ] - [ 0.0000388300000000, 0.0000000000000000, 0.0000678900000000 ] - [ 0.0000707700000000, 0.0000462500000000, -0.0000405200000000 ] - [ 0.0008744700000000, 0.0000000000000000, 0.0002452800000000 ] - [ 0.0002858300000000, -0.0000218100000000, 0.0000514400000000 ] - [ 0.0002152200000000, 0.0000000000000000, 0.0002028100000000 ] - [ 0.0001575400000000, -0.0000777700000000, 0.0000702000000000 ] - [ -0.0011367400000000, 0.0000000000000000, 0.0002793300000000 ] - [ -0.0000776400000000, 0.0000000000000000, -0.0002882700000000 ] - [ -0.0002575000000000, 0.0000951800000000, -0.0011346300000000 ] - [ -0.0002575000000000, -0.0000951800000000, -0.0011346300000000 ]- atom: 31 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0009647700000000, 0.0000000000000000, -0.0019569000000000 ] - [ -0.0065420400000000, 0.0000000000000000, -0.0004961800000000 ] - [ -0.0026547400000000, 0.0000000000000000, 0.0020426300000000 ] - [ -0.0036541300000000, 0.0000000000000000, 0.0052972800000000 ] - [ -0.0000605800000000, 0.0000000000000000, 0.0001330200000000 ] - [ 0.0005026100000000, 0.0000000000000000, 0.0001539700000000 ] - [ 0.0000406800000000, 0.0000000000000000, 0.0000351300000000 ] - [ -0.0000411300000000, 0.0000000000000000, 0.0000293200000000 ] - [ -0.0005327700000000, 0.0000000000000000, 0.0003528500000000 ] - [ -0.0000059800000000, 0.0000000000000000, -0.0000110800000000 ] - [ -0.0005111800000000, 0.0000000000000000, 0.0021328400000000 ] - [ 0.0111626300000000, 0.0000000000000000, -0.0055102500000000 ] - [ 0.0021218300000000, 0.0000000000000000, -0.0047786200000000 ] - [ -0.0122483700000000, 0.0000000000000000, -0.0052022000000000 ] - [ 0.0000420700000000, 0.0000000000000000, -0.0000970000000000 ] - [ -0.0006345000000000, 0.0000000000000000, -0.0000703300000000 ] - [ 0.0000041000000000, 0.0000000000000000, 0.0000797500000000 ] - [ 0.0000432500000000, 0.0000000000000000, 0.0000012900000000 ] - [ 0.0005327600000000, 0.0000000000000000, -0.0004579100000000 ] - [ 0.0002221600000000, 0.0000000000000000, 0.0000600400000000 ] - [ 0.0076427500000000, 0.0000000000000000, -0.0000828600000000 ] - [ -0.0024684800000000, 0.0000000000000000, -0.0021640900000000 ] - [ -0.0110841600000000, 0.0050855000000000, -0.0095336000000000 ] - [ -0.0128816000000000, 0.0000000000000000, 0.0063998500000000 ] - [ -0.0110841600000000, -0.0050855000000000, -0.0095336000000000 ] - [ -0.0035779900000000, 0.0005737500000000, -0.0016602400000000 ] - [ -0.0000045700000000, 0.0000000000000000, 0.0001380200000000 ] - [ -0.0000742100000000, 0.0000000000000000, 0.0009664200000000 ] - [ 0.0033583000000000, 0.0003563300000000, 0.0045037000000000 ] - [ 0.0000349800000000, 0.0000000000000000, -0.0000090400000000 ] - [ 0.1636419800000000, 0.0000000000000000, 0.0016950700000000 ] - [ 0.0002626300000000, -0.0000491500000000, 0.0000434600000000 ] - [ -0.0002208900000000, 0.0000167200000000, 0.0000744100000000 ] - [ -0.0008391600000000, 0.0000000000000000, 0.0010114200000000 ] - [ 0.0000733300000000, -0.0000129000000000, 0.0000509200000000 ] - [ -0.0002721800000000, 0.0000000000000000, 0.0002177600000000 ] - [ 0.0000733300000000, 0.0000129000000000, 0.0000509200000000 ] - [ 0.0005323500000000, 0.0001603400000000, 0.0005218700000000 ] - [ -0.0006718600000000, -0.0000561200000000, -0.0003986600000000 ] - [ 0.0000289700000000, 0.0000000000000000, 0.0002404800000000 ] - [ -0.0037489900000000, 0.0000000000000000, 0.0001879200000000 ] - [ 0.0001696900000000, 0.0000000000000000, 0.0022270400000000 ] - [ -0.0089926900000000, 0.0114688600000000, 0.0116647200000000 ] - [ 0.0036878400000000, 0.0000000000000000, -0.0053554200000000 ] - [ -0.0089926900000000, -0.0114688600000000, 0.0116647200000000 ] - [ 0.0033583000000000, -0.0003563300000000, 0.0045037000000000 ] - [ 0.0000091000000000, 0.0000000000000000, 0.0000389300000000 ] - [ -0.0000313900000000, 0.0000000000000000, -0.0007219700000000 ] - [ -0.0035779900000000, -0.0005737500000000, -0.0016602400000000 ] - [ 0.0000672600000000, 0.0000000000000000, 0.0000177900000000 ] - [ -0.0072327300000000, 0.0000000000000000, -0.0004484600000000 ] - [ -0.0002208900000000, -0.0000167200000000, 0.0000744100000000 ] - [ 0.0002626300000000, 0.0000491500000000, 0.0000434600000000 ] - [ 0.0012388900000000, 0.0000000000000000, -0.0007139600000000 ] - [ 0.0001984400000000, -0.0000168900000000, 0.0000396100000000 ] - [ 0.0002605200000000, 0.0000000000000000, -0.0000928400000000 ] - [ 0.0001984400000000, 0.0000168900000000, 0.0000396100000000 ] - [ -0.0006718600000000, 0.0000561200000000, -0.0003986600000000 ] - [ 0.0005323500000000, -0.0001603400000000, 0.0005218700000000 ] - [ 0.0000672700000000, 0.0000000000000000, -0.0001221800000000 ] - [ 0.0029817700000000, -0.0003281900000000, 0.0011273400000000 ] - [ 0.0078313100000000, 0.0000000000000000, 0.0017639500000000 ] - [ -0.0048314300000000, 0.0015176500000000, -0.0031347500000000 ] - [ 0.0002305000000000, 0.0000000000000000, 0.0058316500000000 ] - [ -0.0846567900000000, 0.0000000000000000, 0.0196905900000000 ] - [ 0.0018789100000000, 0.0013526200000000, -0.0044620600000000 ] - [ 0.0006888700000000, 0.0000000000000000, 0.0047846800000000 ] - [ -0.0229160000000000, -0.0317655200000000, -0.0095570200000000 ] - [ -0.0006000500000000, 0.0000000000000000, -0.0016249600000000 ] - [ 0.0018789100000000, -0.0013526200000000, -0.0044620600000000 ] - [ 0.0045830800000000, 0.0000000000000000, -0.0004486400000000 ] - [ -0.0229160000000000, 0.0317655200000000, -0.0095570200000000 ] - [ -0.0009214300000000, 0.0000000000000000, -0.0005233900000000 ] - [ -0.0002189300000000, 0.0000378400000000, -0.0003572900000000 ] - [ -0.0086031500000000, 0.0000000000000000, -0.0059694700000000 ] - [ -0.0010250400000000, -0.0000577700000000, -0.0000251000000000 ] - [ 0.0001270500000000, 0.0000000000000000, 0.0000059600000000 ] - [ 0.0002271200000000, 0.0001234000000000, 0.0001483800000000 ] - [ 0.0002723200000000, 0.0000000000000000, -0.0002231900000000 ] - [ 0.0011617000000000, -0.0001648500000000, -0.0003405800000000 ] - [ -0.0001349800000000, 0.0000000000000000, -0.0000433600000000 ] - [ -0.0000108600000000, 0.0000122600000000, -0.0000751500000000 ] - [ 0.0000522400000000, 0.0000000000000000, -0.0002689000000000 ] - [ 0.0000567000000000, -0.0000043800000000, 0.0000200600000000 ] - [ 0.0001724900000000, 0.0000000000000000, -0.0001150500000000 ] - [ -0.0000525500000000, -0.0000188300000000, -0.0000701900000000 ] - [ 0.0000334600000000, 0.0000000000000000, -0.0000049300000000 ] - [ 0.0000567000000000, 0.0000043800000000, 0.0000200600000000 ] - [ 0.0001223800000000, 0.0000000000000000, -0.0000698400000000 ] - [ 0.0002460300000000, 0.0000020700000000, -0.0000597000000000 ] - [ 0.0000437800000000, 0.0000000000000000, -0.0000391600000000 ] - [ 0.0000640400000000, 0.0000338600000000, -0.0001136600000000 ] - [ 0.0007157200000000, 0.0000000000000000, 0.0001990300000000 ] - [ 0.0002460300000000, -0.0000020700000000, -0.0000597000000000 ] - [ 0.0002305100000000, 0.0000000000000000, 0.0001957000000000 ] - [ 0.0001502100000000, -0.0000653700000000, -0.0000025400000000 ] - [ -0.0011128500000000, 0.0000000000000000, -0.0004252300000000 ] - [ -0.0000217500000000, 0.0000000000000000, -0.0004140000000000 ] - [ -0.0000453700000000, -0.0000796300000000, -0.0009546700000000 ] - [ -0.0000453700000000, 0.0000796300000000, -0.0009546700000000 ] - [ -0.0048314300000000, -0.0015176500000000, -0.0031347500000000 ] - [ -0.0030959500000000, 0.0000000000000000, -0.0003138500000000 ] - [ 0.0029817700000000, 0.0003281900000000, 0.0011273400000000 ] - [ 0.0016187500000000, 0.0000000000000000, -0.0017214800000000 ] - [ 0.0061230900000000, 0.0000000000000000, -0.0004983700000000 ] - [ 0.0028033900000000, 0.0018130800000000, 0.0049912600000000 ] - [ 0.0043286400000000, 0.0000000000000000, -0.0056730600000000 ] - [ 0.0072323300000000, 0.0023641500000000, 0.0009220800000000 ] - [ 0.0003059400000000, 0.0000000000000000, 0.0015594100000000 ] - [ 0.0028033900000000, -0.0018130800000000, 0.0049912600000000 ] - [ -0.0049602700000000, 0.0000000000000000, -0.0017460000000000 ] - [ 0.0072323300000000, -0.0023641500000000, 0.0009220800000000 ] - [ 0.0003259300000000, 0.0000000000000000, 0.0013211000000000 ] - [ 0.0002271200000000, -0.0001234000000000, 0.0001483800000000 ] - [ 0.0029283700000000, 0.0000000000000000, 0.0004346100000000 ] - [ 0.0011617000000000, 0.0001648500000000, -0.0003405800000000 ] - [ 0.0000044700000000, 0.0000000000000000, -0.0000963400000000 ] - [ -0.0002189300000000, -0.0000378400000000, -0.0003572900000000 ] - [ -0.0002961500000000, 0.0000000000000000, 0.0001542500000000 ] - [ -0.0010250400000000, 0.0000577700000000, -0.0000251000000000 ] - [ -0.0000202000000000, 0.0000000000000000, 0.0000107800000000 ] - [ -0.0000525500000000, 0.0000188300000000, -0.0000701900000000 ] - [ -0.0002697500000000, 0.0000000000000000, 0.0000283700000000 ] - [ 0.0000063600000000, -0.0000047600000000, 0.0001043700000000 ] - [ 0.0000865900000000, 0.0000000000000000, -0.0000576400000000 ] - [ -0.0000108600000000, -0.0000122600000000, -0.0000751500000000 ] - [ -0.0000003100000000, 0.0000000000000000, 0.0000068100000000 ] - [ 0.0000063600000000, 0.0000047600000000, 0.0001043700000000 ] - [ -0.0000181000000000, 0.0000000000000000, -0.0000000800000000 ] - [ -0.0002471700000000, 0.0000105100000000, -0.0000499600000000 ] - [ 0.0000143500000000, 0.0000000000000000, -0.0000291900000000 ] - [ 0.0001502100000000, 0.0000653700000000, -0.0000025400000000 ] - [ -0.0009104700000000, 0.0000000000000000, 0.0000041800000000 ] - [ -0.0002471700000000, -0.0000105100000000, -0.0000499600000000 ] - [ 0.0001071100000000, 0.0000000000000000, -0.0002835200000000 ] - [ 0.0000640400000000, -0.0000338600000000, -0.0001136600000000 ] - [ 0.0011146500000000, 0.0000000000000000, -0.0000571700000000 ] - [ 0.0001178900000000, 0.0000000000000000, 0.0002717300000000 ] - [ 0.0003589900000000, -0.0000438900000000, 0.0011912200000000 ] - [ 0.0003589900000000, 0.0000438900000000, 0.0011912200000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000338300000000, -0.0003273600000000, -0.0000785900000000 ] - [ -0.0000732500000000, 0.0003126900000000, -0.0000167300000000 ] - [ -0.0000561900000000, 0.0013770900000000, -0.0000091400000000 ] - [ -0.0000401900000000, 0.0182057500000000, 0.0000632700000000 ] - [ -0.0000068200000000, 0.0000122800000000, -0.0000158400000000 ] - [ 0.0000364300000000, 0.0001750600000000, -0.0000023300000000 ] - [ 0.0000223200000000, 0.0000020600000000, 0.0000183300000000 ] - [ 0.0000020200000000, 0.0000017700000000, -0.0000310700000000 ] - [ -0.0000237800000000, 0.0001471700000000, -0.0000372900000000 ] - [ 0.0001223900000000, 0.0000150600000000, -0.0000214400000000 ] - [ 0.0000316700000000, -0.0002471600000000, -0.0000781500000000 ] - [ -0.0000346900000000, 0.0181342600000000, 0.0000301800000000 ] - [ -0.0000438700000000, -0.0006714700000000, 0.0000066900000000 ] - [ -0.0000795300000000, -0.0006068400000000, 0.0000543200000000 ] - [ -0.0000066600000000, 0.0000067000000000, -0.0000157900000000 ] - [ 0.0000359100000000, 0.0000925900000000, -0.0000039400000000 ] - [ 0.0000221800000000, 0.0000019300000000, 0.0000186800000000 ] - [ 0.0000018000000000, 0.0000036800000000, -0.0000307400000000 ] - [ -0.0000225400000000, 0.0000684000000000, -0.0000379700000000 ] - [ 0.0001225900000000, 0.0000104400000000, -0.0000212900000000 ] - [ 0.0000649300000000, -0.0034366400000000, -0.0000263800000000 ] - [ 0.0000792600000000, 0.0001817600000000, -0.0000008800000000 ] - [ -0.0127999300000000, 0.0007200500000000, -0.0091939800000000 ] - [ -0.0001663200000000, -0.0042728500000000, 0.0000686100000000 ] - [ 0.0128478000000000, 0.0010555100000000, 0.0091820400000000 ] - [ 0.0003829600000000, 0.0000983800000000, 0.0003561300000000 ] - [ -0.0000011700000000, -0.0000038700000000, 0.0000196700000000 ] - [ -0.0000445700000000, -0.0000336400000000, 0.0000236200000000 ] - [ 0.0007553900000000, 0.0004153900000000, 0.0050573400000000 ] - [ 0.0000541800000000, 0.0000001800000000, -0.0000616100000000 ] - [ -0.0025418200000000, -0.1674524900000000, -0.0016893400000000 ] - [ 0.0000082000000000, -0.0000422900000000, -0.0000362300000000 ] - [ 0.0000266000000000, 0.0000421800000000, -0.0000061000000000 ] - [ -0.0000656800000000, -0.0003368900000000, 0.0000292200000000 ] - [ 0.0001341100000000, -0.0000141700000000, -0.0000203800000000 ] - [ -0.0000383100000000, -0.0000414300000000, -0.0000057900000000 ] - [ 0.0001375900000000, 0.0000141700000000, -0.0000174800000000 ] - [ -0.0001063200000000, 0.0000150600000000, -0.0001642800000000 ] - [ 0.0000974900000000, -0.0000120600000000, -0.0000071300000000 ] - [ 0.0000448900000000, -0.0000051900000000, -0.0000140900000000 ] - [ 0.0000586100000000, 0.0000288400000000, -0.0000170200000000 ] - [ 0.0000795800000000, 0.0019489700000000, 0.0000032500000000 ] - [ -0.0047937800000000, 0.0001595000000000, 0.0009067700000000 ] - [ -0.0002115700000000, 0.0098260500000000, 0.0000251600000000 ] - [ 0.0048007000000000, 0.0005430600000000, -0.0009223000000000 ] - [ -0.0008192900000000, 0.0005166500000000, -0.0051047400000000 ] - [ -0.0000013400000000, -0.0000071700000000, 0.0000198900000000 ] - [ -0.0000440800000000, 0.0000409600000000, 0.0000265300000000 ] - [ -0.0004543900000000, -0.0000791000000000, -0.0003773300000000 ] - [ 0.0000537600000000, -0.0000014200000000, -0.0000623200000000 ] - [ -0.0001774300000000, -0.0008356200000000, 0.0000077500000000 ] - [ 0.0000188600000000, -0.0000411800000000, -0.0000187200000000 ] - [ 0.0000364800000000, 0.0000413800000000, 0.0000120900000000 ] - [ -0.0000649000000000, -0.0004377700000000, 0.0000267200000000 ] - [ 0.0001343000000000, -0.0000146300000000, -0.0000203400000000 ] - [ -0.0000376500000000, -0.0000236900000000, -0.0000061700000000 ] - [ 0.0001375400000000, 0.0000142400000000, -0.0000177100000000 ] - [ -0.0000498700000000, 0.0000104100000000, -0.0000788400000000 ] - [ 0.0001559200000000, -0.0000074000000000, 0.0000807600000000 ] - [ 0.0000446600000000, -0.0000068100000000, -0.0000144400000000 ] - [ -0.0000964800000000, 0.0001370500000000, -0.0000745800000000 ] - [ -0.0001033400000000, 0.0050302700000000, 0.0001390600000000 ] - [ -0.0024040100000000, -0.0010922400000000, 0.0030084700000000 ] - [ -0.0000344500000000, 0.0043416100000000, -0.0000098100000000 ] - [ 0.0001448200000000, 0.0062457600000000, -0.0001240200000000 ] - [ -0.0021492700000000, -0.0005622600000000, 0.0033907900000000 ] - [ 0.0000745400000000, -0.0065738400000000, -0.0001008800000000 ] - [ 0.0289869000000000, 0.0673053900000000, 0.0208712300000000 ] - [ -0.0001547600000000, -0.0003503500000000, 0.0000884200000000 ] - [ 0.0020065900000000, -0.0005597300000000, -0.0032903100000000 ] - [ -0.0000441200000000, 0.0004301000000000, 0.0000080400000000 ] - [ -0.0270455200000000, 0.0640693200000000, -0.0194294800000000 ] - [ -0.0000237800000000, -0.0000012400000000, -0.0000384700000000 ] - [ -0.0000238900000000, -0.0000679400000000, -0.0000337400000000 ] - [ -0.0000290900000000, 0.0062166000000000, 0.0001908200000000 ] - [ 0.0005852900000000, 0.0004425300000000, 0.0007406800000000 ] - [ 0.0000655200000000, 0.0000012800000000, 0.0000167200000000 ] - [ 0.0000127700000000, 0.0000611000000000, -0.0000758700000000 ] - [ -0.0000160500000000, -0.0000123600000000, 0.0000276600000000 ] - [ 0.0002221700000000, -0.0001150600000000, -0.0002255500000000 ] - [ -0.0000869000000000, 0.0000018900000000, 0.0000182400000000 ] - [ -0.0000277600000000, 0.0000181300000000, -0.0000348200000000 ] - [ -0.0000792000000000, 0.0000153800000000, -0.0000805000000000 ] - [ 0.0000360200000000, 0.0000044100000000, 0.0001066000000000 ] - [ 0.0001325500000000, 0.0000021500000000, -0.0000301500000000 ] - [ -0.0000272300000000, -0.0000166900000000, -0.0000353800000000 ] - [ 0.0000143600000000, 0.0000005400000000, 0.0000413900000000 ] - [ 0.0000388700000000, -0.0000039100000000, 0.0000990200000000 ] - [ 0.0000383700000000, -0.0000020200000000, 0.0000086800000000 ] - [ 0.0000436700000000, 0.0000195800000000, -0.0000278900000000 ] - [ 0.0000239200000000, -0.0000002100000000, 0.0000156500000000 ] - [ 0.0001115500000000, 0.0000622700000000, -0.0000245500000000 ] - [ -0.0000147400000000, -0.0000060000000000, 0.0001243300000000 ] - [ -0.0000024200000000, -0.0000217600000000, 0.0000290500000000 ] - [ 0.0001622600000000, 0.0000272400000000, -0.0000381100000000 ] - [ 0.0001115000000000, -0.0000634500000000, -0.0000167300000000 ] - [ -0.0000093800000000, -0.0002241800000000, 0.0001120500000000 ] - [ 0.0000153900000000, -0.0000438600000000, -0.0000130800000000 ] - [ 0.0002086300000000, 0.0000590300000000, -0.0003437100000000 ] - [ -0.0001143200000000, 0.0000062400000000, 0.0004032300000000 ] - [ 0.0023638600000000, -0.0008170500000000, -0.0030318600000000 ] - [ -0.0000561600000000, -0.0061151700000000, 0.0001200600000000 ] - [ 0.0000503500000000, -0.0001239700000000, 0.0000716700000000 ] - [ -0.0000265200000000, -0.0002649200000000, -0.0000144400000000 ] - [ -0.0000590000000000, -0.0056274200000000, -0.0000463800000000 ] - [ -0.0013131200000000, -0.0005760200000000, -0.0008062600000000 ] - [ 0.0000702800000000, -0.0001037000000000, -0.0001091600000000 ] - [ 0.0005282900000000, 0.0002501800000000, 0.0002251300000000 ] - [ -0.0001505500000000, 0.0002970300000000, 0.0000820700000000 ] - [ 0.0011873900000000, -0.0005348600000000, 0.0008916600000000 ] - [ -0.0000478400000000, -0.0065307700000000, 0.0000604600000000 ] - [ -0.0006409500000000, 0.0002686700000000, -0.0002528500000000 ] - [ -0.0000307300000000, -0.0002390800000000, -0.0000314400000000 ] - [ -0.0000329400000000, -0.0000571500000000, -0.0000608400000000 ] - [ -0.0000220400000000, -0.0004026900000000, -0.0000503300000000 ] - [ -0.0002055700000000, 0.0001089100000000, 0.0002600900000000 ] - [ 0.0000648400000000, -0.0000009400000000, 0.0000156900000000 ] - [ 0.0000040800000000, 0.0000515900000000, -0.0001022200000000 ] - [ -0.0000153400000000, -0.0000666100000000, 0.0000274300000000 ] - [ -0.0005691600000000, 0.0002333400000000, -0.0007108300000000 ] - [ -0.0000867800000000, -0.0000005200000000, 0.0000180600000000 ] - [ -0.0000274300000000, 0.0000168100000000, -0.0000341100000000 ] - [ -0.0000798800000000, 0.0000786800000000, -0.0000811300000000 ] - [ 0.0000408400000000, 0.0000060900000000, 0.0001110700000000 ] - [ 0.0001322700000000, 0.0000018600000000, -0.0000301600000000 ] - [ -0.0000272800000000, -0.0000176200000000, -0.0000350900000000 ] - [ 0.0000149600000000, -0.0000002500000000, 0.0000414600000000 ] - [ 0.0000338700000000, -0.0000021400000000, 0.0000947500000000 ] - [ 0.0000379400000000, -0.0000015600000000, 0.0000090300000000 ] - [ 0.0000217100000000, 0.0000209000000000, -0.0000207400000000 ] - [ 0.0000242400000000, 0.0000005600000000, 0.0000157000000000 ] - [ 0.0001116200000000, 0.0000626500000000, -0.0000247000000000 ] - [ -0.0000165800000000, 0.0001327900000000, 0.0001238000000000 ] - [ 0.0000181600000000, -0.0000207400000000, 0.0000218600000000 ] - [ 0.0001621000000000, 0.0000400600000000, -0.0000385400000000 ] - [ 0.0001122100000000, -0.0000635000000000, -0.0000182300000000 ] - [ -0.0000077100000000, -0.0000031000000000, 0.0001128300000000 ] - [ 0.0000151800000000, -0.0000314700000000, -0.0000127400000000 ] - [ -0.0000515100000000, 0.0000113800000000, -0.0001515500000000 ] - [ 0.0001449300000000, -0.0000415700000000, 0.0002151700000000 ]- atom: 31 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0003848400000000, 0.0000000000000000, 0.0014130400000000 ] - [ 0.0006411800000000, 0.0000000000000000, -0.0014914800000000 ] - [ -0.0016970100000000, 0.0000000000000000, -0.0003220400000000 ] - [ 0.0006343100000000, 0.0000000000000000, -0.0144792200000000 ] - [ -0.0002271200000000, 0.0000000000000000, 0.0015732300000000 ] - [ 0.0000765100000000, 0.0000000000000000, 0.0031747300000000 ] - [ 0.0000480300000000, 0.0000000000000000, 0.0014544400000000 ] - [ 0.0000241700000000, 0.0000000000000000, 0.0015845400000000 ] - [ -0.0002678900000000, 0.0000000000000000, 0.0013296700000000 ] - [ 0.0002037000000000, 0.0000000000000000, 0.0015843200000000 ] - [ -0.0005591700000000, 0.0000000000000000, 0.0004902100000000 ] - [ -0.0022198900000000, 0.0000000000000000, 0.0025792100000000 ] - [ 0.0094207300000000, 0.0000000000000000, 0.0066806700000000 ] - [ 0.0015609300000000, 0.0000000000000000, -0.0079205000000000 ] - [ 0.0003945000000000, 0.0000000000000000, 0.0013097400000000 ] - [ 0.0002203400000000, 0.0000000000000000, 0.0008655900000000 ] - [ 0.0000345500000000, 0.0000000000000000, 0.0014407800000000 ] - [ 0.0000949300000000, 0.0000000000000000, 0.0016693100000000 ] - [ 0.0002477300000000, 0.0000000000000000, 0.0015569800000000 ] - [ 0.0001556600000000, 0.0000000000000000, 0.0017071600000000 ] - [ -0.0009425100000000, 0.0000000000000000, 0.0104423600000000 ] - [ 0.0028875100000000, 0.0000000000000000, 0.0025590100000000 ] - [ 0.0107542100000000, -0.0042995300000000, 0.0021586800000000 ] - [ -0.0046311300000000, 0.0000000000000000, -0.0108371000000000 ] - [ 0.0107542100000000, 0.0042995300000000, 0.0021586800000000 ] - [ 0.0018060000000000, 0.0000189700000000, -0.0014490300000000 ] - [ -0.0002328100000000, 0.0000000000000000, 0.0024178400000000 ] - [ -0.0009622500000000, 0.0000000000000000, 0.0024942500000000 ] - [ -0.0085225400000000, 0.0119367100000000, 0.0111926000000000 ] - [ -0.0000048800000000, 0.0000000000000000, 0.0022046600000000 ] - [ -0.0262583900000000, 0.0000000000000000, -0.1598406700000000 ] - [ 0.0001121100000000, -0.0003001200000000, 0.0025900800000000 ] - [ -0.0000786300000000, 0.0002166600000000, 0.0019501800000000 ] - [ -0.0030639300000000, 0.0000000000000000, 0.0015207400000000 ] - [ 0.0001637400000000, -0.0001210500000000, 0.0021927400000000 ] - [ -0.0002729400000000, 0.0000000000000000, 0.0023476200000000 ] - [ 0.0001637400000000, 0.0001210500000000, 0.0021927400000000 ] - [ -0.0002232000000000, -0.0001299600000000, 0.0025795000000000 ] - [ 0.0004485900000000, 0.0000767900000000, 0.0019418900000000 ] - [ -0.0000679700000000, 0.0000000000000000, 0.0023978600000000 ] - [ 0.0004067100000000, 0.0000000000000000, 0.0007598300000000 ] - [ -0.0021806000000000, 0.0000000000000000, 0.0033376000000000 ] - [ -0.0065594800000000, 0.0026200300000000, -0.0014692400000000 ] - [ 0.0046752800000000, 0.0000000000000000, -0.0105518100000000 ] - [ -0.0065594800000000, -0.0026200300000000, -0.0014692400000000 ] - [ -0.0085225400000000, -0.0119367100000000, 0.0111926000000000 ] - [ 0.0000847300000000, 0.0000000000000000, 0.0023470300000000 ] - [ 0.0006709500000000, 0.0000000000000000, 0.0014972100000000 ] - [ 0.0018060000000000, -0.0000189700000000, -0.0014490300000000 ] - [ -0.0000363500000000, 0.0000000000000000, 0.0023692300000000 ] - [ 0.0013076300000000, 0.0000000000000000, -0.0073880200000000 ] - [ -0.0000786300000000, -0.0002166600000000, 0.0019501800000000 ] - [ 0.0001121100000000, 0.0003001200000000, 0.0025900800000000 ] - [ 0.0024961900000000, 0.0000000000000000, 0.0023733700000000 ] - [ 0.0002081100000000, -0.0001371300000000, 0.0022536500000000 ] - [ 0.0000399200000000, 0.0000000000000000, 0.0024868300000000 ] - [ 0.0002081100000000, 0.0001371300000000, 0.0022536500000000 ] - [ 0.0004485900000000, -0.0000767900000000, 0.0019418900000000 ] - [ -0.0002232000000000, 0.0001299600000000, 0.0025795000000000 ] - [ 0.0000217000000000, 0.0000000000000000, 0.0023251900000000 ] - [ -0.0011327600000000, 0.0003782600000000, 0.0002142700000000 ] - [ -0.0043317200000000, 0.0000000000000000, 0.0057764900000000 ] - [ 0.0030232600000000, 0.0019423900000000, -0.0028307500000000 ] - [ -0.0044387100000000, 0.0000000000000000, -0.0040628600000000 ] - [ -0.0085612200000000, 0.0000000000000000, 0.0120329900000000 ] - [ 0.0052973700000000, 0.0018788800000000, 0.0048820600000000 ] - [ -0.0013449000000000, 0.0000000000000000, -0.0011055800000000 ] - [ 0.0129936200000000, 0.0276321200000000, 0.0194924600000000 ] - [ 0.0010427400000000, 0.0000000000000000, -0.0007270700000000 ] - [ 0.0052973700000000, -0.0018788800000000, 0.0048820600000000 ] - [ -0.0007292100000000, 0.0000000000000000, 0.0029484000000000 ] - [ 0.0129936200000000, -0.0276321200000000, 0.0194924600000000 ] - [ 0.0045491500000000, 0.0000000000000000, -0.0048535700000000 ] - [ 0.0000130300000000, -0.0000485200000000, -0.0018145600000000 ] - [ 0.0085270700000000, 0.0000000000000000, 0.0878597200000000 ] - [ -0.0025531500000000, -0.0022351800000000, -0.0043980600000000 ] - [ 0.0001309000000000, 0.0000000000000000, -0.0017660600000000 ] - [ -0.0002789100000000, -0.0000408100000000, -0.0010019800000000 ] - [ 0.0005337800000000, 0.0000000000000000, -0.0010665000000000 ] - [ 0.0008456900000000, -0.0003856400000000, 0.0002714400000000 ] - [ 0.0002319700000000, 0.0000000000000000, -0.0015532800000000 ] - [ -0.0001845200000000, 0.0001490900000000, -0.0013713100000000 ] - [ 0.0004873000000000, 0.0000000000000000, -0.0019349700000000 ] - [ -0.0000211200000000, -0.0001453800000000, -0.0012347900000000 ] - [ 0.0002390000000000, 0.0000000000000000, -0.0019589800000000 ] - [ -0.0002256000000000, -0.0001657500000000, -0.0014429800000000 ] - [ 0.0002958000000000, 0.0000000000000000, -0.0013840200000000 ] - [ -0.0000211200000000, 0.0001453800000000, -0.0012347900000000 ] - [ 0.0003284900000000, 0.0000000000000000, -0.0013949500000000 ] - [ -0.0000478100000000, 0.0001354600000000, -0.0012621800000000 ] - [ 0.0001351000000000, 0.0000000000000000, -0.0019321200000000 ] - [ -0.0000611900000000, -0.0000929800000000, -0.0014203300000000 ] - [ -0.0000406200000000, 0.0000000000000000, -0.0009808700000000 ] - [ -0.0000478100000000, -0.0001354600000000, -0.0012621800000000 ] - [ 0.0002509600000000, 0.0000000000000000, -0.0014285700000000 ] - [ -0.0000751600000000, 0.0000881500000000, -0.0013788500000000 ] - [ -0.0001047500000000, 0.0000000000000000, -0.0019584300000000 ] - [ 0.0002118200000000, 0.0000000000000000, -0.0020347800000000 ] - [ 0.0005583300000000, 0.0001271100000000, -0.0014051400000000 ] - [ 0.0005583300000000, -0.0001271100000000, -0.0014051400000000 ] - [ 0.0030232600000000, -0.0019423900000000, -0.0028307500000000 ] - [ 0.0023731700000000, 0.0000000000000000, 0.0067299200000000 ] - [ -0.0011327600000000, -0.0003782600000000, 0.0002142700000000 ] - [ 0.0012233300000000, 0.0000000000000000, 0.0008240800000000 ] - [ -0.0047020500000000, 0.0000000000000000, 0.0039645500000000 ] - [ -0.0048800900000000, -0.0017705800000000, 0.0023670700000000 ] - [ 0.0010185100000000, 0.0000000000000000, 0.0009406700000000 ] - [ 0.0006047300000000, 0.0007142800000000, 0.0031889500000000 ] - [ -0.0013487800000000, 0.0000000000000000, -0.0002029200000000 ] - [ -0.0048800900000000, 0.0017705800000000, 0.0023670700000000 ] - [ 0.0002730300000000, 0.0000000000000000, 0.0045462500000000 ] - [ 0.0006047300000000, -0.0007142800000000, 0.0031889500000000 ] - [ -0.0015620800000000, 0.0000000000000000, 0.0000638200000000 ] - [ -0.0002789100000000, 0.0000408100000000, -0.0010019800000000 ] - [ -0.0004713400000000, 0.0000000000000000, 0.0041631000000000 ] - [ 0.0008456900000000, 0.0003856400000000, 0.0002714400000000 ] - [ 0.0001615100000000, 0.0000000000000000, -0.0020599300000000 ] - [ 0.0000130300000000, 0.0000485200000000, -0.0018145600000000 ] - [ -0.0002757700000000, 0.0000000000000000, -0.0016292300000000 ] - [ -0.0025531500000000, 0.0022351800000000, -0.0043980600000000 ] - [ 0.0001677200000000, 0.0000000000000000, -0.0013093900000000 ] - [ -0.0002256000000000, 0.0001657500000000, -0.0014429800000000 ] - [ -0.0004038000000000, 0.0000000000000000, -0.0027718100000000 ] - [ -0.0002915500000000, -0.0001946000000000, -0.0013463300000000 ] - [ 0.0001887400000000, 0.0000000000000000, -0.0020453900000000 ] - [ -0.0001845200000000, -0.0001490900000000, -0.0013713100000000 ] - [ 0.0002325200000000, 0.0000000000000000, -0.0013879700000000 ] - [ -0.0002915500000000, 0.0001946000000000, -0.0013463300000000 ] - [ 0.0002677900000000, 0.0000000000000000, -0.0014428600000000 ] - [ -0.0002433000000000, 0.0001819100000000, -0.0015263600000000 ] - [ 0.0000907100000000, 0.0000000000000000, -0.0019582200000000 ] - [ -0.0000751600000000, -0.0000881500000000, -0.0013788500000000 ] - [ 0.0000899500000000, 0.0000000000000000, -0.0026727000000000 ] - [ -0.0002433000000000, -0.0001819100000000, -0.0015263600000000 ] - [ 0.0005567300000000, 0.0000000000000000, -0.0015623400000000 ] - [ -0.0000611900000000, 0.0000929800000000, -0.0014203300000000 ] - [ -0.0001530400000000, 0.0000000000000000, -0.0008253200000000 ] - [ -0.0000088700000000, 0.0000000000000000, -0.0019131800000000 ] - [ -0.0005692300000000, 0.0002375100000000, -0.0016184200000000 ] - [ -0.0005692300000000, -0.0002375100000000, -0.0016184200000000 ]- atom: 31 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0003163000000000, 0.0000000000000000, -0.0015762200000000 ] - [ -0.0007901500000000, 0.0000000000000000, 0.0014485400000000 ] - [ 0.0015828900000000, 0.0000000000000000, 0.0003015400000000 ] - [ -0.0008482200000000, 0.0000000000000000, 0.0146184100000000 ] - [ 0.0002130300000000, 0.0000000000000000, -0.0016034300000000 ] - [ -0.0000060100000000, 0.0000000000000000, -0.0031820900000000 ] - [ -0.0000043100000000, 0.0000000000000000, -0.0014160900000000 ] - [ -0.0000210400000000, 0.0000000000000000, -0.0016442200000000 ] - [ 0.0002165000000000, 0.0000000000000000, -0.0014060100000000 ] - [ 0.0000406900000000, 0.0000000000000000, -0.0016277800000000 ] - [ 0.0006208000000000, 0.0000000000000000, -0.0006561100000000 ] - [ 0.0020846300000000, 0.0000000000000000, -0.0026674200000000 ] - [ -0.0095650200000000, 0.0000000000000000, -0.0067910000000000 ] - [ -0.0017554800000000, 0.0000000000000000, 0.0080507900000000 ] - [ -0.0004082200000000, 0.0000000000000000, -0.0013394300000000 ] - [ -0.0001511100000000, 0.0000000000000000, -0.0008731000000000 ] - [ 0.0000087600000000, 0.0000000000000000, -0.0014018000000000 ] - [ -0.0000921000000000, 0.0000000000000000, -0.0017290400000000 ] - [ -0.0002949000000000, 0.0000000000000000, -0.0016316000000000 ] - [ 0.0000885000000000, 0.0000000000000000, -0.0017499400000000 ] - [ 0.0010430300000000, 0.0000000000000000, -0.0103927000000000 ] - [ -0.0026978900000000, 0.0000000000000000, -0.0025647500000000 ] - [ -0.0106858300000000, 0.0039444800000000, -0.0022294800000000 ] - [ 0.0043003100000000, 0.0000000000000000, 0.0110081400000000 ] - [ -0.0106858300000000, -0.0039444800000000, -0.0022294800000000 ] - [ -0.0018885700000000, 0.0001604400000000, 0.0014257400000000 ] - [ 0.0002348000000000, 0.0000000000000000, -0.0023733400000000 ] - [ 0.0008712800000000, 0.0000000000000000, -0.0024451500000000 ] - [ 0.0084922200000000, -0.0121653200000000, -0.0113332100000000 ] - [ 0.0001071000000000, 0.0000000000000000, -0.0023304100000000 ] - [ 0.0254529800000000, 0.0000000000000000, 0.1663958100000000 ] - [ -0.0000680600000000, 0.0002168500000000, -0.0026124000000000 ] - [ 0.0001231900000000, -0.0001334300000000, -0.0019721100000000 ] - [ 0.0029417800000000, 0.0000000000000000, -0.0014590200000000 ] - [ 0.0001079500000000, 0.0000933900000000, -0.0022288400000000 ] - [ 0.0001879100000000, 0.0000000000000000, -0.0023619300000000 ] - [ 0.0001079500000000, -0.0000933900000000, -0.0022288400000000 ] - [ 0.0002716100000000, 0.0001557600000000, -0.0026619200000000 ] - [ -0.0003952100000000, -0.0001033700000000, -0.0020286800000000 ] - [ 0.0001641100000000, 0.0000000000000000, -0.0024175000000000 ] - [ -0.0002902000000000, 0.0000000000000000, -0.0008024400000000 ] - [ 0.0023289100000000, 0.0000000000000000, -0.0033390900000000 ] - [ 0.0065937800000000, -0.0029451000000000, 0.0013775300000000 ] - [ -0.0049872400000000, 0.0000000000000000, 0.0107514600000000 ] - [ 0.0065937800000000, 0.0029451000000000, 0.0013775300000000 ] - [ 0.0084922200000000, 0.0121653200000000, -0.0113332100000000 ] - [ -0.0000824600000000, 0.0000000000000000, -0.0023021500000000 ] - [ -0.0007634000000000, 0.0000000000000000, -0.0014479900000000 ] - [ -0.0018885700000000, -0.0001604400000000, 0.0014257400000000 ] - [ 0.0001387600000000, 0.0000000000000000, -0.0024947500000000 ] - [ -0.0016473300000000, 0.0000000000000000, 0.0074166500000000 ] - [ 0.0001231900000000, 0.0001334300000000, -0.0019721100000000 ] - [ -0.0000680600000000, -0.0002168500000000, -0.0026124000000000 ] - [ -0.0026203500000000, 0.0000000000000000, -0.0023167800000000 ] - [ 0.0000636500000000, 0.0001094400000000, -0.0022893200000000 ] - [ -0.0001228200000000, 0.0000000000000000, -0.0025001200000000 ] - [ 0.0000636500000000, -0.0001094400000000, -0.0022893200000000 ] - [ -0.0003952100000000, 0.0001033700000000, -0.0020286800000000 ] - [ 0.0002716100000000, -0.0001557600000000, -0.0026619200000000 ] - [ 0.0000748600000000, 0.0000000000000000, -0.0023454400000000 ] - [ 0.0010749700000000, -0.0001029000000000, -0.0002158000000000 ] - [ 0.0041422700000000, 0.0000000000000000, -0.0054779800000000 ] - [ -0.0030485200000000, -0.0021955400000000, 0.0028186400000000 ] - [ 0.0043366600000000, 0.0000000000000000, 0.0040227900000000 ] - [ 0.0086728200000000, 0.0000000000000000, -0.0122714900000000 ] - [ -0.0054415000000000, -0.0019082100000000, -0.0048117600000000 ] - [ 0.0014917500000000, 0.0000000000000000, 0.0009048300000000 ] - [ -0.0129615600000000, -0.0272384100000000, -0.0196599200000000 ] - [ -0.0013503600000000, 0.0000000000000000, 0.0008846100000000 ] - [ -0.0054415000000000, 0.0019082100000000, -0.0048117600000000 ] - [ 0.0006434100000000, 0.0000000000000000, -0.0029366900000000 ] - [ -0.0129615600000000, 0.0272384100000000, -0.0196599200000000 ] - [ -0.0045984700000000, 0.0000000000000000, 0.0047894100000000 ] - [ -0.0000306500000000, -0.0000785500000000, 0.0016805400000000 ] - [ -0.0087314200000000, 0.0000000000000000, -0.0936827200000000 ] - [ 0.0025639100000000, 0.0024460000000000, 0.0044337200000000 ] - [ -0.0000051600000000, 0.0000000000000000, 0.0017901200000000 ] - [ 0.0002611400000000, 0.0001683100000000, 0.0008671000000000 ] - [ -0.0005731100000000, 0.0000000000000000, 0.0011190700000000 ] - [ -0.0008291500000000, 0.0001665900000000, -0.0002391600000000 ] - [ -0.0003968100000000, 0.0000000000000000, 0.0015904300000000 ] - [ 0.0001316300000000, -0.0001261800000000, 0.0013028700000000 ] - [ -0.0006431300000000, 0.0000000000000000, 0.0017762700000000 ] - [ 0.0000929300000000, 0.0001426400000000, 0.0014389300000000 ] - [ 0.0000204800000000, 0.0000000000000000, 0.0018946700000000 ] - [ 0.0001727100000000, 0.0001427300000000, 0.0013745400000000 ] - [ -0.0002767900000000, 0.0000000000000000, 0.0014644700000000 ] - [ 0.0000929300000000, -0.0001426400000000, 0.0014389300000000 ] - [ -0.0002407200000000, 0.0000000000000000, 0.0014151100000000 ] - [ 0.0000866900000000, -0.0001042900000000, 0.0012639700000000 ] - [ -0.0000821500000000, 0.0000000000000000, 0.0019712100000000 ] - [ 0.0002816500000000, 0.0002035600000000, 0.0013759200000000 ] - [ 0.0000025300000000, 0.0000000000000000, 0.0012313200000000 ] - [ 0.0000866900000000, 0.0001042900000000, 0.0012639700000000 ] - [ 0.0000698100000000, 0.0000000000000000, 0.0013471600000000 ] - [ 0.0002946300000000, -0.0001986400000000, 0.0013351900000000 ] - [ 0.0000796900000000, 0.0000000000000000, 0.0021780000000000 ] - [ -0.0001714800000000, 0.0000000000000000, 0.0020184900000000 ] - [ -0.0004540100000000, -0.0000754600000000, 0.0014601400000000 ] - [ -0.0004540100000000, 0.0000754600000000, 0.0014601400000000 ] - [ -0.0030485200000000, 0.0021955400000000, 0.0028186400000000 ] - [ -0.0025887600000000, 0.0000000000000000, -0.0064312900000000 ] - [ 0.0010749700000000, 0.0001029000000000, -0.0002158000000000 ] - [ -0.0012719800000000, 0.0000000000000000, -0.0008327400000000 ] - [ 0.0045770900000000, 0.0000000000000000, -0.0040461400000000 ] - [ 0.0047916300000000, 0.0017658500000000, -0.0022852200000000 ] - [ -0.0008777200000000, 0.0000000000000000, -0.0011504100000000 ] - [ -0.0007369800000000, -0.0007252000000000, -0.0032198600000000 ] - [ 0.0010473600000000, 0.0000000000000000, 0.0003618100000000 ] - [ 0.0047916300000000, -0.0017658500000000, -0.0022852200000000 ] - [ -0.0003709200000000, 0.0000000000000000, -0.0045383900000000 ] - [ -0.0007369800000000, 0.0007252000000000, -0.0032198600000000 ] - [ 0.0015040200000000, 0.0000000000000000, -0.0001221400000000 ] - [ 0.0002611400000000, -0.0001683100000000, 0.0008671000000000 ] - [ 0.0004334500000000, 0.0000000000000000, -0.0042767500000000 ] - [ -0.0008291500000000, -0.0001665900000000, -0.0002391600000000 ] - [ -0.0000356600000000, 0.0000000000000000, 0.0020840000000000 ] - [ -0.0000306500000000, 0.0000785500000000, 0.0016805400000000 ] - [ 0.0002376900000000, 0.0000000000000000, 0.0016822000000000 ] - [ 0.0025639100000000, -0.0024460000000000, 0.0044337200000000 ] - [ -0.0003325800000000, 0.0000000000000000, 0.0013468600000000 ] - [ 0.0001727100000000, -0.0001427300000000, 0.0013745400000000 ] - [ 0.0002471900000000, 0.0000000000000000, 0.0026125100000000 ] - [ 0.0003636300000000, 0.0001915800000000, 0.0015504700000000 ] - [ 0.0000705700000000, 0.0000000000000000, 0.0019806600000000 ] - [ 0.0001316300000000, 0.0001261800000000, 0.0013028700000000 ] - [ -0.0002134800000000, 0.0000000000000000, 0.0014683500000000 ] - [ 0.0003636300000000, -0.0001915800000000, 0.0015504700000000 ] - [ -0.0001799400000000, 0.0000000000000000, 0.0014626400000000 ] - [ 0.0002809400000000, -0.0001501400000000, 0.0015263000000000 ] - [ -0.0000374000000000, 0.0000000000000000, 0.0019969100000000 ] - [ 0.0002946300000000, 0.0001986400000000, 0.0013351900000000 ] - [ -0.0001269300000000, 0.0000000000000000, 0.0029086500000000 ] - [ 0.0002809400000000, 0.0001501400000000, 0.0015263000000000 ] - [ -0.0002338000000000, 0.0000000000000000, 0.0014800500000000 ] - [ 0.0002816500000000, -0.0002035600000000, 0.0013759200000000 ] - [ 0.0001276300000000, 0.0000000000000000, 0.0010514200000000 ] - [ 0.0000476700000000, 0.0000000000000000, 0.0018981200000000 ] - [ 0.0006660000000000, -0.0001835400000000, 0.0016720600000000 ] - [ 0.0006660000000000, 0.0001835400000000, 0.0016720600000000 ]- atom: 32 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0000073900000000, -0.0000043400000000, -0.0000245700000000 ] - [ 0.0000296600000000, 0.0000040100000000, -0.0000048700000000 ] - [ 0.0013793400000000, 0.0000842300000000, 0.0005153700000000 ] - [ -0.0002773800000000, 0.0000329000000000, 0.0004097700000000 ] - [ 0.0167429800000000, 0.0134362900000000, -0.0019333200000000 ] - [ -0.0095728500000000, 0.0073103700000000, 0.0074902900000000 ] - [ -0.0005888000000000, 0.0003750700000000, -0.0007573900000000 ] - [ 0.0031459100000000, 0.0007763900000000, -0.0010530400000000 ] - [ 0.0000921200000000, 0.0000023200000000, -0.0000300900000000 ] - [ 0.0002280700000000, 0.0000321900000000, -0.0002342600000000 ] - [ 0.0000764400000000, -0.0000044600000000, -0.0000635800000000 ] - [ -0.0001735900000000, 0.0000044500000000, 0.0000459000000000 ] - [ -0.0006597600000000, 0.0003745500000000, -0.0007992500000000 ] - [ 0.0000057500000000, 0.0000317800000000, -0.0001679400000000 ] - [ 0.0165198400000000, 0.0132181900000000, -0.0019542700000000 ] - [ 0.0031809700000000, 0.0007598600000000, -0.0009977000000000 ] - [ 0.0014754400000000, 0.0000856700000000, 0.0005456800000000 ] - [ -0.0095477700000000, 0.0073429100000000, 0.0075048100000000 ] - [ -0.0001169100000000, 0.0000033100000000, 0.0000226900000000 ] - [ -0.0000557100000000, 0.0000333600000000, 0.0003475100000000 ] - [ 0.0000041400000000, -0.0000010400000000, 0.0000637000000000 ] - [ 0.0000762600000000, 0.0000021600000000, 0.0000500100000000 ] - [ -0.0000038600000000, -0.0001770100000000, 0.0001375800000000 ] - [ 0.0006103000000000, -0.0000771900000000, 0.0004093200000000 ] - [ 0.0000023800000000, 0.0001768700000000, 0.0001488400000000 ] - [ 0.0011422400000000, 0.0001152900000000, -0.0012401200000000 ] - [ 0.0090552900000000, -0.0050865900000000, -0.0083463100000000 ] - [ 0.0112173000000000, -0.0128173300000000, 0.0094752400000000 ] - [ -0.0019045400000000, 0.0004466000000000, 0.0024553500000000 ] - [ 0.0035395900000000, 0.0004042800000000, 0.0012835800000000 ] - [ -0.0004134300000000, -0.0000142500000000, 0.0001357000000000 ] - [ -0.1702089500000000, -0.0256190200000000, -0.0162068000000000 ] - [ 0.0097813700000000, 0.0008946500000000, 0.0002502700000000 ] - [ 0.0034255200000000, 0.0004107000000000, 0.0013944500000000 ] - [ 0.0013079300000000, 0.0000157600000000, -0.0012466400000000 ] - [ 0.0002063400000000, -0.0000045000000000, -0.0001388900000000 ] - [ 0.0014496500000000, -0.0000188400000000, -0.0010967100000000 ] - [ -0.0000027800000000, -0.0000254600000000, 0.0001080400000000 ] - [ 0.0000250600000000, -0.0000224500000000, -0.0000682700000000 ] - [ 0.0008146500000000, -0.0000780200000000, 0.0003251200000000 ] - [ 0.0001296400000000, -0.0000014100000000, 0.0000083400000000 ] - [ 0.0000797100000000, 0.0000023100000000, 0.0000644800000000 ] - [ 0.0000152900000000, -0.0001384600000000, -0.0000470900000000 ] - [ -0.0007490900000000, -0.0000953600000000, -0.0002081000000000 ] - [ 0.0000211800000000, 0.0001384400000000, -0.0000386500000000 ] - [ -0.0026344500000000, -0.0004702000000000, 0.0012894100000000 ] - [ 0.0111708700000000, -0.0127624000000000, 0.0094249700000000 ] - [ 0.0090884800000000, -0.0050355700000000, -0.0082926100000000 ] - [ 0.0012824500000000, -0.0001179700000000, -0.0010892100000000 ] - [ -0.0033002100000000, -0.0007909200000000, -0.0080985300000000 ] - [ 0.0000695800000000, -0.0000033800000000, -0.0001272400000000 ] - [ 0.0061371200000000, -0.0009816800000000, -0.0012678900000000 ] - [ -0.0244551400000000, -0.0013773100000000, 0.0104809600000000 ] - [ -0.0034261000000000, -0.0008061500000000, -0.0080327700000000 ] - [ -0.0024575100000000, -0.0005823800000000, 0.0012800400000000 ] - [ -0.0002695600000000, -0.0000140100000000, 0.0001256900000000 ] - [ -0.0017282500000000, 0.0005580600000000, 0.0024182100000000 ] - [ 0.0000184700000000, 0.0000223200000000, -0.0000743900000000 ] - [ 0.0000055400000000, 0.0000250500000000, 0.0001169900000000 ] - [ -0.0005642700000000, -0.0000975200000000, -0.0002940800000000 ] - [ -0.0000742600000000, 0.0001399900000000, -0.0000504300000000 ] - [ -0.0002047500000000, 0.0000105200000000, -0.0001176400000000 ] - [ 0.0000011500000000, -0.0001222000000000, -0.0000223500000000 ] - [ 0.0000091600000000, 0.0000009900000000, -0.0000807500000000 ] - [ 0.0000243900000000, -0.0000045400000000, 0.0000210900000000 ] - [ -0.0005973300000000, 0.0002172600000000, -0.0008476500000000 ] - [ 0.0001044200000000, -0.0000014100000000, -0.0001829300000000 ] - [ 0.0000380400000000, 0.0000035400000000, -0.0001287600000000 ] - [ -0.0004781900000000, 0.0012815900000000, -0.0049529000000000 ] - [ -0.0004987500000000, -0.0001730700000000, -0.0006463100000000 ] - [ -0.0007203900000000, 0.0000074000000000, 0.0003531600000000 ] - [ 0.0000378900000000, -0.0000081100000000, -0.0001084500000000 ] - [ -0.0002205300000000, -0.0011797800000000, -0.0030816800000000 ] - [ 0.0411070700000000, 0.0053070100000000, 0.0222567000000000 ] - [ 0.0006056200000000, -0.0001201200000000, -0.0000148700000000 ] - [ 0.0039125300000000, 0.0005965800000000, -0.0000483100000000 ] - [ -0.0045389200000000, -0.0009237500000000, -0.0001386500000000 ] - [ -0.0068692800000000, -0.0003746400000000, 0.0022911100000000 ] - [ -0.0066121200000000, 0.0010352700000000, 0.0007486600000000 ] - [ -0.0017636900000000, 0.0000139500000000, 0.0000569800000000 ] - [ 0.0162791700000000, -0.0104286900000000, -0.0092739700000000 ] - [ -0.0018037600000000, 0.0001263200000000, 0.0000167000000000 ] - [ -0.0046605700000000, -0.0009311400000000, -0.0002398900000000 ] - [ -0.0069145600000000, -0.0004436900000000, 0.0024905700000000 ] - [ -0.0003807900000000, -0.0000080500000000, 0.0002568800000000 ] - [ 0.0038688200000000, 0.0004736900000000, -0.0001180300000000 ] - [ -0.0011629500000000, -0.0000334100000000, 0.0020039400000000 ] - [ -0.0035393900000000, 0.0004338600000000, 0.0005026000000000 ] - [ -0.0006250900000000, 0.0000073600000000, 0.0003563600000000 ] - [ -0.0000488200000000, 0.0000106800000000, 0.0000706400000000 ] - [ -0.0006043300000000, 0.0000346900000000, 0.0024933700000000 ] - [ -0.0003247700000000, -0.0001387100000000, -0.0007078000000000 ] - [ -0.0000378800000000, -0.0000002700000000, 0.0001170500000000 ] - [ -0.0000411600000000, -0.0000122900000000, 0.0000557700000000 ] - [ 0.0002555400000000, -0.0000045900000000, 0.0000094400000000 ] - [ 0.0004868400000000, -0.0001477300000000, 0.0003841800000000 ] - [ 0.0000122400000000, 0.0000006600000000, 0.0000418200000000 ] - [ -0.0000815600000000, 0.0000108100000000, -0.0002528500000000 ] - [ 0.0000115100000000, 0.0000202000000000, -0.0000244600000000 ] - [ 0.0000104700000000, -0.0000205700000000, -0.0000285500000000 ] - [ 0.0000017500000000, 0.0001219500000000, -0.0000235800000000 ] - [ -0.0000229600000000, 0.0000044900000000, 0.0002133700000000 ] - [ -0.0000742200000000, -0.0001400500000000, -0.0000482000000000 ] - [ -0.0000602200000000, 0.0000003400000000, -0.0000103500000000 ] - [ -0.0001976600000000, -0.0000101200000000, -0.0001617900000000 ] - [ 0.0003093100000000, -0.0001148900000000, 0.0004544600000000 ] - [ 0.0000653100000000, -0.0000005400000000, -0.0001207600000000 ] - [ -0.0001111200000000, -0.0000045400000000, 0.0000478900000000 ] - [ -0.0007965400000000, 0.0000284500000000, 0.0025495300000000 ] - [ 0.0001983500000000, 0.0001170700000000, 0.0006064000000000 ] - [ 0.0007702700000000, 0.0000960400000000, -0.0003047500000000 ] - [ -0.0001186300000000, 0.0000039900000000, 0.0000615100000000 ] - [ -0.0012149400000000, -0.0000273400000000, 0.0019364000000000 ] - [ -0.0035983900000000, 0.0003702700000000, 0.0003200800000000 ] - [ -0.0005311400000000, -0.0000079600000000, 0.0002344300000000 ] - [ -0.0015703300000000, -0.0000620700000000, -0.0001963600000000 ] - [ 0.0198152400000000, 0.0148349400000000, -0.0092908900000000 ] - [ 0.0036336300000000, 0.0005336100000000, -0.0021193800000000 ] - [ 0.0161901100000000, -0.0097948900000000, -0.0088356700000000 ] - [ 0.0031471100000000, -0.0008469100000000, 0.0023640300000000 ] - [ -0.0066981800000000, 0.0010211100000000, 0.0007624700000000 ] - [ 0.0030947500000000, -0.0007222500000000, 0.0022974400000000 ] - [ 0.0194187500000000, 0.0140752400000000, -0.0089015100000000 ] - [ 0.0036947800000000, 0.0004729900000000, -0.0019280500000000 ] - [ 0.0007488800000000, -0.0001168700000000, -0.0000031600000000 ] - [ -0.0016084400000000, -0.0001749300000000, -0.0002434100000000 ] - [ -0.0001904600000000, -0.0011757100000000, -0.0030209100000000 ] - [ 0.0402809900000000, 0.0052590800000000, 0.0213162000000000 ] - [ 0.0008762500000000, 0.0000948100000000, -0.0003063200000000 ] - [ 0.0001064300000000, 0.0000031400000000, -0.0001008600000000 ] - [ -0.0003062000000000, 0.0012926000000000, -0.0049852900000000 ] - [ 0.0003742000000000, 0.0001494300000000, 0.0005406100000000 ] - [ 0.0000054400000000, -0.0000007500000000, 0.0000507900000000 ] - [ 0.0001063000000000, -0.0000079600000000, -0.0001227300000000 ] - [ 0.0000399200000000, -0.0000099600000000, -0.0001707200000000 ] - [ -0.0004237800000000, 0.0001830400000000, -0.0009126000000000 ] - [ -0.0000311200000000, 0.0000001700000000, 0.0001080800000000 ] - [ 0.0001115800000000, 0.0000046800000000, 0.0000760100000000 ] - [ 0.0000844100000000, 0.0000357700000000, 0.0000085300000000 ] - [ 0.0000849600000000, -0.0000362100000000, 0.0000055400000000 ]- atom: 32 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0000732800000000, -0.0000030500000000, -0.0001304800000000 ] - [ -0.0001850200000000, -0.0000026100000000, -0.0000267900000000 ] - [ -0.0014997800000000, -0.0000843000000000, -0.0005295200000000 ] - [ 0.0000758300000000, -0.0000325800000000, -0.0003222200000000 ] - [ -0.0165664900000000, -0.0132296500000000, 0.0019016400000000 ] - [ 0.0095850500000000, -0.0073145500000000, -0.0074956700000000 ] - [ 0.0006284200000000, -0.0003754400000000, 0.0008013500000000 ] - [ -0.0031430000000000, -0.0007630800000000, 0.0009734100000000 ] - [ -0.0001387100000000, -0.0000036900000000, -0.0000456900000000 ] - [ 0.0000140400000000, -0.0000314000000000, 0.0001897100000000 ] - [ -0.0000109100000000, -0.0000029900000000, -0.0000913700000000 ] - [ 0.0000184300000000, -0.0000036600000000, -0.0000778700000000 ] - [ 0.0005468800000000, -0.0003734500000000, 0.0007774100000000 ] - [ -0.0002057700000000, -0.0000310300000000, 0.0002547400000000 ] - [ -0.0167228700000000, -0.0134229900000000, 0.0019238600000000 ] - [ -0.0031091400000000, -0.0007732700000000, 0.0010134300000000 ] - [ -0.0014314800000000, -0.0000855700000000, -0.0005093600000000 ] - [ 0.0096093900000000, -0.0073390000000000, -0.0075630200000000 ] - [ 0.0000700700000000, -0.0000045000000000, -0.0000976400000000 ] - [ 0.0002998300000000, -0.0000331700000000, -0.0003927100000000 ] - [ 0.0001227100000000, 0.0000012100000000, -0.0000974800000000 ] - [ 0.0000819600000000, -0.0000014800000000, -0.0000589400000000 ] - [ 0.0000386200000000, -0.0001210500000000, -0.0001631000000000 ] - [ -0.0009197900000000, 0.0000772200000000, -0.0002817900000000 ] - [ 0.0000308400000000, 0.0001214800000000, -0.0001707500000000 ] - [ -0.0012064400000000, 0.0000640500000000, 0.0012255400000000 ] - [ -0.0090677900000000, 0.0050005600000000, 0.0083097800000000 ] - [ -0.0112449400000000, 0.0127664900000000, -0.0093222000000000 ] - [ 0.0018270500000000, -0.0006258000000000, -0.0024739500000000 ] - [ -0.0034234000000000, -0.0004025900000000, -0.0014189300000000 ] - [ 0.0000711400000000, 0.0000143200000000, -0.0001263000000000 ] - [ 0.1704067300000000, 0.0255415300000000, 0.0161926800000000 ] - [ -0.0097370700000000, -0.0008102300000000, -0.0002739500000000 ] - [ -0.0035643100000000, -0.0004119500000000, -0.0013206700000000 ] - [ -0.0010421600000000, -0.0000424700000000, 0.0012077700000000 ] - [ -0.0002800100000000, 0.0000037600000000, 0.0001252500000000 ] - [ -0.0011828300000000, 0.0000456100000000, 0.0010581800000000 ] - [ 0.0000492800000000, 0.0000494700000000, -0.0001895700000000 ] - [ 0.0000214100000000, -0.0000014600000000, -0.0000142400000000 ] - [ -0.0007241900000000, 0.0000781700000000, -0.0003581500000000 ] - [ -0.0000022800000000, 0.0000013200000000, -0.0000414600000000 ] - [ 0.0000790200000000, -0.0000017400000000, -0.0000742600000000 ] - [ 0.0000193000000000, -0.0001593600000000, 0.0000208100000000 ] - [ 0.0004417500000000, 0.0000955000000000, 0.0003327100000000 ] - [ 0.0000135600000000, 0.0001595000000000, 0.0000164300000000 ] - [ 0.0025560300000000, 0.0006494400000000, -0.0013079200000000 ] - [ -0.0112357400000000, 0.0128124500000000, -0.0094805900000000 ] - [ -0.0091684000000000, 0.0051220600000000, 0.0084268000000000 ] - [ -0.0013478100000000, -0.0000611500000000, 0.0010724600000000 ] - [ 0.0033921500000000, 0.0007943200000000, 0.0080145500000000 ] - [ -0.0004117200000000, 0.0000037800000000, 0.0001388300000000 ] - [ -0.0060932200000000, 0.0008973900000000, 0.0012444800000000 ] - [ 0.0245005000000000, 0.0014601800000000, -0.0105043500000000 ] - [ 0.0033124200000000, 0.0008028700000000, 0.0080562200000000 ] - [ 0.0027377500000000, 0.0005550700000000, -0.0013159100000000 ] - [ 0.0001955600000000, 0.0000141500000000, -0.0001364300000000 ] - [ 0.0020074300000000, -0.0005306200000000, -0.0024557400000000 ] - [ 0.0000270300000000, 0.0000016300000000, -0.0000074500000000 ] - [ 0.0000414200000000, -0.0000489800000000, -0.0001997600000000 ] - [ 0.0006510100000000, 0.0000974600000000, 0.0002642900000000 ] - [ 0.0000173300000000, 0.0001245600000000, 0.0000490100000000 ] - [ -0.0000075500000000, -0.0000105700000000, 0.0003938800000000 ] - [ -0.0000581200000000, -0.0001429200000000, 0.0000195700000000 ] - [ -0.0000687800000000, -0.0000007200000000, 0.0000637500000000 ] - [ -0.0001759600000000, 0.0000045800000000, -0.0000926300000000 ] - [ 0.0004730700000000, -0.0002477800000000, 0.0009364800000000 ] - [ 0.0000505700000000, 0.0000014200000000, -0.0000533900000000 ] - [ -0.0001461500000000, -0.0000098700000000, 0.0001071600000000 ] - [ 0.0001729800000000, -0.0012828600000000, 0.0050982800000000 ] - [ 0.0003739800000000, 0.0002039200000000, 0.0007318300000000 ] - [ 0.0006199100000000, -0.0000074900000000, -0.0003368400000000 ] - [ -0.0001460800000000, 0.0000147400000000, 0.0000848200000000 ] - [ 0.0001666600000000, 0.0011812300000000, 0.0030177300000000 ] - [ -0.0391361400000000, -0.0052310200000000, -0.0207082600000000 ] - [ -0.0006455700000000, 0.0001194900000000, -0.0000829300000000 ] - [ -0.0038837700000000, -0.0003789300000000, 0.0000902600000000 ] - [ 0.0046605300000000, 0.0009310300000000, 0.0001717700000000 ] - [ 0.0068981700000000, 0.0005019400000000, -0.0024628200000000 ] - [ 0.0065775200000000, -0.0010266300000000, -0.0007101100000000 ] - [ 0.0017834300000000, -0.0002298400000000, -0.0000335400000000 ] - [ -0.0164928800000000, 0.0102297400000000, 0.0091494500000000 ] - [ 0.0017486000000000, -0.0001078900000000, -0.0000736200000000 ] - [ 0.0045059300000000, 0.0009238200000000, 0.0000651300000000 ] - [ 0.0069365700000000, 0.0004415100000000, -0.0022519500000000 ] - [ 0.0006399200000000, 0.0000079800000000, -0.0003174900000000 ] - [ -0.0039344000000000, -0.0004963600000000, 0.0000406200000000 ] - [ 0.0011934500000000, 0.0000300300000000, -0.0019256500000000 ] - [ 0.0036285500000000, -0.0004326700000000, -0.0002903400000000 ] - [ 0.0007138400000000, -0.0000071200000000, -0.0003334400000000 ] - [ 0.0000866000000000, 0.0000182000000000, -0.0000711000000000 ] - [ 0.0006693000000000, -0.0000315800000000, -0.0024472300000000 ] - [ 0.0005459900000000, 0.0002488900000000, 0.0006675600000000 ] - [ 0.0000003800000000, 0.0000005000000000, 0.0001333300000000 ] - [ 0.0000791200000000, -0.0000169800000000, -0.0000572000000000 ] - [ 0.0000630200000000, 0.0000048100000000, -0.0000933700000000 ] - [ -0.0002637100000000, 0.0000396600000000, -0.0004287300000000 ] - [ -0.0000372900000000, -0.0000008400000000, 0.0001828700000000 ] - [ 0.0001187300000000, -0.0000106800000000, 0.0002395200000000 ] - [ 0.0000919100000000, 0.0000348400000000, 0.0000830100000000 ] - [ 0.0000919200000000, -0.0000344700000000, 0.0000846900000000 ] - [ -0.0000585200000000, 0.0001430400000000, 0.0000219400000000 ] - [ -0.0001897500000000, -0.0000045800000000, 0.0000616700000000 ] - [ 0.0000168200000000, -0.0001246700000000, 0.0000455400000000 ] - [ 0.0000004000000000, -0.0000003000000000, -0.0000067100000000 ] - [ 0.0000473800000000, 0.0000101700000000, 0.0000895200000000 ] - [ -0.0004358200000000, 0.0000826000000000, -0.0003635800000000 ] - [ 0.0000898700000000, 0.0000008000000000, -0.0001155800000000 ] - [ 0.0000016400000000, -0.0000023900000000, -0.0000709700000000 ] - [ 0.0004784200000000, -0.0000313900000000, -0.0024005000000000 ] - [ -0.0003253600000000, -0.0000847700000000, -0.0005185900000000 ] - [ -0.0008713300000000, -0.0000952700000000, 0.0003252800000000 ] - [ 0.0000094300000000, 0.0000032800000000, -0.0000861600000000 ] - [ 0.0011436100000000, 0.0000309400000000, -0.0019942400000000 ] - [ 0.0035610600000000, -0.0004966200000000, -0.0004659500000000 ] - [ 0.0004887200000000, 0.0000081700000000, -0.0003370100000000 ] - [ 0.0015871600000000, 0.0002782200000000, 0.0002256600000000 ] - [ -0.0196376700000000, -0.0144274400000000, 0.0090189200000000 ] - [ -0.0036285400000000, -0.0004111000000000, 0.0019849000000000 ] - [ -0.0161831600000000, 0.0099928900000000, 0.0090478100000000 ] - [ -0.0031197500000000, 0.0006281700000000, -0.0023196400000000 ] - [ 0.0065259600000000, -0.0010293600000000, -0.0007133200000000 ] - [ -0.0031590800000000, 0.0007462500000000, -0.0023773100000000 ] - [ -0.0196301100000000, -0.0144791300000000, 0.0090347600000000 ] - [ -0.0036457800000000, -0.0004700400000000, 0.0021307000000000 ] - [ -0.0004928200000000, 0.0001177600000000, -0.0000624600000000 ] - [ 0.0015563200000000, 0.0001563400000000, 0.0001808500000000 ] - [ 0.0001992200000000, 0.0011740700000000, 0.0031047300000000 ] - [ -0.0422494300000000, -0.0054647900000000, -0.0228261600000000 ] - [ -0.0007876400000000, -0.0000949900000000, 0.0003251900000000 ] - [ -0.0000694900000000, 0.0000262600000000, 0.0001000000000000 ] - [ 0.0003578500000000, -0.0012908100000000, 0.0050310500000000 ] - [ -0.0001506200000000, -0.0000410200000000, -0.0005825400000000 ] - [ -0.0000431500000000, 0.0000010200000000, 0.0001994100000000 ] - [ -0.0000694900000000, -0.0000212900000000, 0.0001207800000000 ] - [ 0.0002781000000000, 0.0000102100000000, 0.0000879500000000 ] - [ 0.0006447500000000, -0.0002934300000000, 0.0008695400000000 ] - [ 0.0000058400000000, -0.0000003100000000, 0.0001168100000000 ] - [ -0.0000737500000000, -0.0000046400000000, -0.0000887500000000 ] - [ 0.0000186900000000, 0.0000193000000000, 0.0000499200000000 ] - [ 0.0000178300000000, -0.0000189200000000, 0.0000504000000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000317200000000, -0.0000038500000000, -0.0001551300000000 ] - [ -0.0000544700000000, 0.0000005500000000, -0.0000676800000000 ] - [ 0.0000134600000000, 0.0000058400000000, 0.0000694000000000 ] - [ -0.0001289100000000, 0.0000023000000000, 0.0000008300000000 ] - [ 0.0122173900000000, 0.0025239600000000, 0.0033849700000000 ] - [ 0.0072446100000000, 0.0025004400000000, 0.0104687200000000 ] - [ 0.0009612600000000, 0.0000036600000000, 0.0003636400000000 ] - [ 0.0006202300000000, 0.0000072900000000, 0.0008181600000000 ] - [ -0.0000093800000000, -0.0000003200000000, -0.0000855400000000 ] - [ 0.0002141600000000, 0.0000014500000000, -0.0000130700000000 ] - [ 0.0000321400000000, -0.0000041100000000, -0.0001449700000000 ] - [ -0.0000433800000000, 0.0000004800000000, -0.0000930700000000 ] - [ 0.0008758400000000, 0.0000028400000000, 0.0003458600000000 ] - [ -0.0000089900000000, 0.0000009200000000, 0.0000530300000000 ] - [ 0.0120957400000000, 0.0025681700000000, 0.0033922700000000 ] - [ 0.0006535100000000, 0.0000087900000000, 0.0008477900000000 ] - [ 0.0000924100000000, 0.0000059100000000, 0.0000984200000000 ] - [ 0.0072147400000000, 0.0025695500000000, 0.0104085800000000 ] - [ -0.0000002600000000, -0.0000004500000000, -0.0001113600000000 ] - [ 0.0000915100000000, 0.0000023900000000, -0.0000661400000000 ] - [ 0.0000615800000000, -0.0000002600000000, -0.0001324400000000 ] - [ 0.0000785200000000, 0.0000003300000000, -0.0001136500000000 ] - [ -0.0000223500000000, -0.0001857700000000, -0.0001184200000000 ] - [ -0.0003402600000000, -0.0000053400000000, 0.0000064700000000 ] - [ -0.0000218300000000, 0.0001861400000000, -0.0001156400000000 ] - [ -0.0000072100000000, -0.0013539200000000, 0.0000318500000000 ] - [ -0.0114801800000000, 0.0004314900000000, 0.0046028100000000 ] - [ -0.0057104000000000, 0.0006245100000000, -0.0036839800000000 ] - [ -0.0005760600000000, 0.0002393400000000, -0.0002372500000000 ] - [ -0.0004307900000000, 0.0000122600000000, -0.0000577800000000 ] - [ -0.0001625300000000, -0.0000006400000000, -0.0002579600000000 ] - [ -0.0255310700000000, -0.2008877300000000, -0.0178617600000000 ] - [ -0.0008280500000000, 0.0006588900000000, -0.0007175000000000 ] - [ -0.0005433500000000, 0.0000067200000000, 0.0000374500000000 ] - [ 0.0001632600000000, -0.0014587600000000, 0.0000294700000000 ] - [ -0.0000642400000000, 0.0000003400000000, -0.0001777200000000 ] - [ 0.0001663800000000, 0.0014522900000000, 0.0000302700000000 ] - [ -0.0000097200000000, -0.0000140500000000, -0.0001449900000000 ] - [ 0.0000296300000000, 0.0000080000000000, -0.0001423800000000 ] - [ -0.0001401300000000, -0.0000058500000000, -0.0000638100000000 ] - [ 0.0000615900000000, -0.0000000900000000, -0.0001184900000000 ] - [ 0.0000781200000000, 0.0000003600000000, -0.0001125800000000 ] - [ 0.0000165800000000, -0.0001782400000000, -0.0001155000000000 ] - [ -0.0001323200000000, -0.0000021800000000, -0.0002092700000000 ] - [ 0.0000168600000000, 0.0001792800000000, -0.0001132100000000 ] - [ -0.0005993300000000, -0.0002384100000000, -0.0002721100000000 ] - [ -0.0056541900000000, 0.0005112500000000, -0.0036492400000000 ] - [ -0.0115535600000000, 0.0004411500000000, 0.0045784400000000 ] - [ -0.0000042000000000, 0.0013475600000000, 0.0000344300000000 ] - [ 0.0004914900000000, 0.0004456400000000, -0.0122708100000000 ] - [ -0.0001947900000000, 0.0000004100000000, -0.0001690500000000 ] - [ -0.0009151600000000, -0.0006543600000000, -0.0007376300000000 ] - [ 0.0014399600000000, 0.0752437300000000, 0.0010936500000000 ] - [ 0.0003591800000000, 0.0004366300000000, -0.0121261800000000 ] - [ -0.0004281300000000, -0.0003425000000000, -0.0002824600000000 ] - [ -0.0000325900000000, -0.0000006100000000, -0.0002697300000000 ] - [ -0.0004025700000000, 0.0003433300000000, -0.0002425700000000 ] - [ 0.0000292300000000, -0.0000070300000000, -0.0001420300000000 ] - [ -0.0000090800000000, 0.0000143400000000, -0.0001448800000000 ] - [ 0.0000706600000000, -0.0000027200000000, -0.0002846300000000 ] - [ -0.0000193000000000, 0.0001381900000000, 0.0000577400000000 ] - [ -0.0000682400000000, 0.0000010000000000, 0.0001594400000000 ] - [ -0.0000219900000000, -0.0001362000000000, 0.0000654500000000 ] - [ -0.0000263700000000, 0.0000000800000000, 0.0000612700000000 ] - [ -0.0001290800000000, -0.0000000800000000, 0.0000577100000000 ] - [ 0.0000040400000000, 0.0000160700000000, 0.0000584400000000 ] - [ 0.0000746200000000, 0.0000000500000000, -0.0000283400000000 ] - [ -0.0000225400000000, 0.0000307000000000, 0.0000833700000000 ] - [ -0.0000379300000000, 0.0001555800000000, -0.0005479700000000 ] - [ 0.0000106400000000, -0.0000058800000000, 0.0000698300000000 ] - [ 0.0002088500000000, -0.0000012700000000, -0.0002858800000000 ] - [ -0.0000229300000000, -0.0000312400000000, 0.0000834000000000 ] - [ 0.0001891300000000, 0.0000372100000000, 0.0000608200000000 ] - [ 0.0038387600000000, 0.0095490800000000, 0.0025770100000000 ] - [ 0.0000763800000000, -0.0000075400000000, 0.0004631500000000 ] - [ 0.0004262900000000, 0.0026209000000000, 0.0003789900000000 ] - [ 0.0003216500000000, 0.0000210500000000, 0.0000877600000000 ] - [ 0.0005480500000000, 0.0025347900000000, 0.0001887800000000 ] - [ 0.0000508800000000, 0.0001506300000000, 0.0001257800000000 ] - [ 0.0000102400000000, 0.0000770000000000, -0.0001145000000000 ] - [ -0.0101721100000000, 0.0262386100000000, 0.0197365800000000 ] - [ -0.0000218500000000, 0.0002002500000000, -0.0001656200000000 ] - [ 0.0001754800000000, 0.0000296600000000, -0.0000038400000000 ] - [ 0.0005912400000000, 0.0024858800000000, 0.0003544200000000 ] - [ -0.0000629200000000, -0.0000012500000000, 0.0003157900000000 ] - [ 0.0003943000000000, 0.0025010000000000, 0.0003111900000000 ] - [ -0.0023739400000000, 0.0000600200000000, 0.0021250900000000 ] - [ 0.0006647900000000, -0.0025931000000000, 0.0003960500000000 ] - [ 0.0002977000000000, -0.0000016000000000, -0.0002888200000000 ] - [ 0.0000180700000000, -0.0000102500000000, 0.0000489900000000 ] - [ 0.0012356200000000, 0.0000626100000000, -0.0030054400000000 ] - [ 0.0001845100000000, 0.0000388900000000, 0.0000040700000000 ] - [ -0.0000259800000000, 0.0000000400000000, 0.0002114500000000 ] - [ 0.0000183100000000, 0.0000102200000000, 0.0000483000000000 ] - [ 0.0001067900000000, 0.0000000200000000, 0.0000559000000000 ] - [ -0.0000446500000000, 0.0001782700000000, -0.0000280400000000 ] - [ -0.0000044500000000, 0.0000001100000000, 0.0001798000000000 ] - [ 0.0000521100000000, 0.0000013400000000, 0.0000034100000000 ] - [ 0.0000555700000000, 0.0000213200000000, 0.0000884200000000 ] - [ 0.0000553800000000, -0.0000212800000000, 0.0000870300000000 ] - [ -0.0000217800000000, 0.0001362100000000, 0.0000660700000000 ] - [ -0.0001163900000000, 0.0000003900000000, 0.0001984900000000 ] - [ -0.0000193500000000, -0.0001381300000000, 0.0000572400000000 ] - [ -0.0000372100000000, 0.0000001000000000, 0.0000538500000000 ] - [ -0.0000976600000000, -0.0000007100000000, 0.0000424700000000 ] - [ -0.0002135700000000, 0.0002206500000000, 0.0000425200000000 ] - [ 0.0000662800000000, 0.0000000800000000, -0.0000432600000000 ] - [ -0.0000577100000000, 0.0000254600000000, 0.0000360600000000 ] - [ 0.0010482500000000, 0.0000607900000000, -0.0029487400000000 ] - [ -0.0002136000000000, -0.0002174500000000, 0.0000460200000000 ] - [ -0.0000142100000000, -0.0000072900000000, 0.0000439800000000 ] - [ -0.0000579700000000, -0.0000254600000000, 0.0000353900000000 ] - [ -0.0024252500000000, 0.0000636100000000, 0.0020618800000000 ] - [ 0.0006208400000000, -0.0026459900000000, 0.0002121100000000 ] - [ -0.0002214100000000, -0.0000015900000000, 0.0003032500000000 ] - [ 0.0000201200000000, -0.0000742700000000, -0.0001125700000000 ] - [ 0.0163495600000000, 0.0273875100000000, -0.0172483100000000 ] - [ -0.0006773800000000, -0.0065299800000000, -0.0006310800000000 ] - [ -0.0104171300000000, 0.0267054300000000, 0.0204924500000000 ] - [ 0.0004978300000000, -0.0027463700000000, 0.0004491700000000 ] - [ -0.0000152600000000, 0.0001596300000000, 0.0001162800000000 ] - [ 0.0004457100000000, -0.0026162100000000, 0.0003858000000000 ] - [ 0.0148855400000000, 0.0256196900000000, -0.0158416800000000 ] - [ -0.0005709500000000, -0.0066011500000000, -0.0004236800000000 ] - [ 0.0002278400000000, -0.0000064200000000, 0.0004797700000000 ] - [ -0.0000126800000000, -0.0001980200000000, -0.0001645400000000 ] - [ 0.0002279600000000, 0.0000289200000000, 0.0001343900000000 ] - [ 0.0041899800000000, 0.0096525200000000, 0.0029282000000000 ] - [ 0.0000772000000000, -0.0000077200000000, 0.0000420700000000 ] - [ 0.0000544200000000, -0.0000164600000000, 0.0000971200000000 ] - [ 0.0001414600000000, 0.0001678600000000, -0.0006027000000000 ] - [ -0.0000448600000000, -0.0001751300000000, -0.0000211100000000 ] - [ -0.0000183600000000, -0.0000001100000000, 0.0002274400000000 ] - [ 0.0000549900000000, 0.0000159600000000, 0.0000957600000000 ] - [ 0.0001387800000000, -0.0000008000000000, 0.0000406800000000 ] - [ 0.0001766200000000, -0.0000281600000000, -0.0000115200000000 ] - [ -0.0000162600000000, -0.0000000300000000, 0.0001729100000000 ] - [ 0.0000029700000000, 0.0000004000000000, 0.0000439300000000 ] - [ 0.0000527100000000, 0.0000222400000000, 0.0000971800000000 ] - [ 0.0000524900000000, -0.0000222200000000, 0.0000958400000000 ]- atom: 32 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000329400000000, -0.0000036800000000, 0.0000006700000000 ] - [ -0.0000982300000000, 0.0000003100000000, 0.0000334200000000 ] - [ -0.0001310100000000, -0.0000054600000000, -0.0000877300000000 ] - [ -0.0000693700000000, -0.0000019300000000, 0.0000872600000000 ] - [ -0.0121563500000000, -0.0025730300000000, -0.0034222700000000 ] - [ -0.0071563900000000, -0.0025501400000000, -0.0104035200000000 ] - [ -0.0009159300000000, -0.0000026800000000, -0.0003267400000000 ] - [ -0.0006166300000000, -0.0000075500000000, -0.0008807500000000 ] - [ -0.0000369800000000, -0.0000009400000000, 0.0000103200000000 ] - [ 0.0000305300000000, -0.0000006500000000, -0.0000301400000000 ] - [ 0.0000324400000000, -0.0000032900000000, -0.0000097100000000 ] - [ -0.0001094400000000, 0.0000003300000000, 0.0000585800000000 ] - [ -0.0009943600000000, -0.0000033700000000, -0.0003632600000000 ] - [ -0.0001896500000000, -0.0000003700000000, 0.0000350900000000 ] - [ -0.0121865900000000, -0.0025181000000000, -0.0034164100000000 ] - [ -0.0005841000000000, -0.0000076700000000, -0.0008531600000000 ] - [ -0.0000489100000000, -0.0000057800000000, -0.0000606200000000 ] - [ -0.0072315600000000, -0.0025208500000000, -0.0105427200000000 ] - [ -0.0000462500000000, -0.0000006400000000, 0.0000360700000000 ] - [ 0.0001526400000000, -0.0000020600000000, 0.0000223600000000 ] - [ 0.0000570700000000, 0.0000002800000000, 0.0000989900000000 ] - [ 0.0000847600000000, -0.0000001200000000, 0.0001058200000000 ] - [ 0.0000583400000000, -0.0001137500000000, 0.0000905700000000 ] - [ 0.0000272100000000, 0.0000058200000000, 0.0001162900000000 ] - [ 0.0000579400000000, 0.0001136100000000, 0.0000919000000000 ] - [ -0.0000631800000000, 0.0015340100000000, -0.0000519600000000 ] - [ 0.0114979400000000, -0.0004385000000000, -0.0045802900000000 ] - [ 0.0056462500000000, -0.0005292900000000, 0.0037556900000000 ] - [ 0.0005063500000000, -0.0004196400000000, 0.0002136800000000 ] - [ 0.0005352800000000, -0.0000065400000000, -0.0000678000000000 ] - [ -0.0001764100000000, 0.0000006400000000, 0.0002675300000000 ] - [ 0.0255559000000000, 0.2008167300000000, 0.0179137200000000 ] - [ 0.0008728300000000, -0.0005761100000000, 0.0006941700000000 ] - [ 0.0004179000000000, -0.0000122600000000, 0.0000246300000000 ] - [ 0.0001084800000000, 0.0014307200000000, -0.0000654600000000 ] - [ -0.0000168700000000, -0.0000003300000000, 0.0001641700000000 ] - [ 0.0001054500000000, -0.0014241500000000, -0.0000686200000000 ] - [ 0.0000588100000000, 0.0000388200000000, 0.0000616400000000 ] - [ 0.0000196200000000, -0.0000326500000000, 0.0000576600000000 ] - [ 0.0002348300000000, 0.0000057100000000, 0.0000398100000000 ] - [ 0.0000569000000000, 0.0000001100000000, 0.0000848300000000 ] - [ 0.0000850800000000, -0.0000001100000000, 0.0001047100000000 ] - [ 0.0000194100000000, -0.0001212600000000, 0.0000875900000000 ] - [ -0.0001806000000000, 0.0000026500000000, 0.0003323900000000 ] - [ 0.0000193400000000, 0.0001203300000000, 0.0000894300000000 ] - [ 0.0005315800000000, 0.0004187300000000, 0.0002558600000000 ] - [ 0.0056276300000000, -0.0006062000000000, 0.0036721700000000 ] - [ 0.0114454100000000, -0.0004346600000000, -0.0045060000000000 ] - [ -0.0000662500000000, -0.0015275100000000, -0.0000541000000000 ] - [ -0.0003748200000000, -0.0004394500000000, 0.0121221800000000 ] - [ -0.0001440000000000, -0.0000002600000000, 0.0001782700000000 ] - [ 0.0009597500000000, 0.0005716900000000, 0.0007147100000000 ] - [ -0.0013940800000000, -0.0751592700000000, -0.0011173400000000 ] - [ -0.0004963300000000, -0.0004429500000000, 0.0122122000000000 ] - [ 0.0006976700000000, 0.0003140700000000, 0.0002424600000000 ] - [ -0.0000485300000000, 0.0000007100000000, 0.0002558700000000 ] - [ 0.0006738800000000, -0.0003147700000000, 0.0002076600000000 ] - [ 0.0000198100000000, 0.0000317600000000, 0.0000585200000000 ] - [ 0.0000582500000000, -0.0000390300000000, 0.0000601600000000 ] - [ 0.0000240700000000, 0.0000022200000000, 0.0002604900000000 ] - [ -0.0000324400000000, 0.0001323600000000, -0.0000668600000000 ] - [ -0.0001334300000000, -0.0000010400000000, 0.0001268300000000 ] - [ -0.0000299300000000, -0.0001346700000000, -0.0000761000000000 ] - [ -0.0000304700000000, 0.0000000700000000, -0.0000829500000000 ] - [ -0.0000212900000000, 0.0000000500000000, -0.0001345300000000 ] - [ -0.0001286200000000, -0.0000388700000000, 0.0000322300000000 ] - [ 0.0000725800000000, 0.0000000600000000, -0.0002109200000000 ] - [ -0.0000914600000000, -0.0000323600000000, -0.0001075300000000 ] - [ -0.0002657800000000, -0.0001652500000000, 0.0007049700000000 ] - [ -0.0001363500000000, 0.0000285500000000, 0.0000167300000000 ] - [ -0.0003017400000000, 0.0000016500000000, 0.0003061200000000 ] - [ -0.0000910200000000, 0.0000329700000000, -0.0001093800000000 ] - [ -0.0002491100000000, -0.0000286200000000, -0.0001229100000000 ] - [ -0.0040615000000000, -0.0097372200000000, -0.0028565300000000 ] - [ -0.0001199800000000, 0.0000069600000000, -0.0005630900000000 ] - [ -0.0004187400000000, -0.0024010300000000, -0.0003446300000000 ] - [ -0.0001951000000000, -0.0000292900000000, -0.0000620500000000 ] - [ -0.0005646100000000, -0.0024090300000000, -0.0003169500000000 ] - [ -0.0000868900000000, -0.0001597200000000, -0.0000736200000000 ] - [ 0.0000061500000000, -0.0002965800000000, 0.0001467600000000 ] - [ 0.0107842500000000, -0.0275039400000000, -0.0209801400000000 ] - [ -0.0000311700000000, -0.0001757700000000, 0.0000978000000000 ] - [ -0.0003327600000000, -0.0000213500000000, -0.0001542700000000 ] - [ -0.0005203100000000, -0.0024867600000000, -0.0001572500000000 ] - [ 0.0003231700000000, 0.0000015400000000, -0.0003792000000000 ] - [ -0.0004384200000000, -0.0025255600000000, -0.0003810700000000 ] - [ 0.0023951500000000, -0.0000622400000000, -0.0020448200000000 ] - [ -0.0005908600000000, 0.0025929200000000, -0.0001823900000000 ] - [ -0.0002110800000000, 0.0000013800000000, 0.0003087200000000 ] - [ 0.0000199400000000, 0.0000428700000000, -0.0000472200000000 ] - [ -0.0011829600000000, -0.0000601400000000, 0.0030426100000000 ] - [ 0.0000371000000000, 0.0000735000000000, -0.0000458200000000 ] - [ -0.0000107100000000, 0.0000000100000000, 0.0000368000000000 ] - [ 0.0000197200000000, -0.0000427300000000, -0.0000474200000000 ] - [ 0.0002152800000000, 0.0000001400000000, -0.0001364100000000 ] - [ 0.0002652000000000, -0.0002902700000000, -0.0000172300000000 ] - [ -0.0000186100000000, -0.0000000400000000, 0.0000438200000000 ] - [ -0.0000125800000000, -0.0000010400000000, -0.0000199100000000 ] - [ 0.0000447300000000, 0.0000299400000000, -0.0000307200000000 ] - [ 0.0000445000000000, -0.0000299100000000, -0.0000317300000000 ] - [ -0.0000297900000000, 0.0001346300000000, -0.0000752600000000 ] - [ -0.0000851200000000, -0.0000003500000000, 0.0000881900000000 ] - [ -0.0000326900000000, -0.0001324200000000, -0.0000678200000000 ] - [ -0.0000196400000000, 0.0000000800000000, -0.0000755600000000 ] - [ -0.0000527300000000, 0.0000007200000000, -0.0001192800000000 ] - [ 0.0000887400000000, -0.0002429500000000, 0.0000478500000000 ] - [ 0.0000810800000000, 0.0000000400000000, -0.0001961300000000 ] - [ -0.0000563500000000, -0.0000271200000000, -0.0000603000000000 ] - [ -0.0013524000000000, -0.0000630700000000, 0.0031063000000000 ] - [ 0.0000889100000000, 0.0002397600000000, 0.0000407400000000 ] - [ -0.0000786000000000, 0.0000078100000000, -0.0000240300000000 ] - [ -0.0000560700000000, 0.0000272100000000, -0.0000614300000000 ] - [ 0.0023647700000000, -0.0000613300000000, -0.0021232900000000 ] - [ -0.0006402800000000, 0.0025216800000000, -0.0003569500000000 ] - [ 0.0001780200000000, 0.0000013900000000, -0.0004026200000000 ] - [ -0.0000033400000000, 0.0002944400000000, 0.0001460500000000 ] - [ -0.0152744500000000, -0.0261267100000000, 0.0161166600000000 ] - [ 0.0006020100000000, 0.0066343300000000, 0.0004541200000000 ] - [ 0.0096217800000000, -0.0254699900000000, -0.0191822600000000 ] - [ -0.0004707400000000, 0.0025254400000000, -0.0004182000000000 ] - [ -0.0001528100000000, -0.0001503800000000, -0.0000788500000000 ] - [ -0.0005092400000000, 0.0026428500000000, -0.0004511700000000 ] - [ -0.0159756000000000, -0.0268615100000000, 0.0168249100000000 ] - [ 0.0007010100000000, 0.0066214300000000, 0.0006698800000000 ] - [ 0.0000324400000000, 0.0000075200000000, -0.0005420400000000 ] - [ -0.0000407300000000, 0.0001732800000000, 0.0000957100000000 ] - [ -0.0002069600000000, -0.0000373400000000, -0.0000532300000000 ] - [ -0.0039064300000000, -0.0095874700000000, -0.0025761500000000 ] - [ 0.0000096900000000, 0.0000074100000000, -0.0000219500000000 ] - [ -0.0000164900000000, 0.0000491400000000, -0.0000953300000000 ] - [ -0.0000891400000000, -0.0001579100000000, 0.0006404400000000 ] - [ 0.0002653000000000, 0.0002872600000000, -0.0000209100000000 ] - [ -0.0000182400000000, 0.0000000600000000, 0.0000210200000000 ] - [ -0.0000168900000000, -0.0000485000000000, -0.0000947600000000 ] - [ 0.0001833900000000, 0.0000008000000000, -0.0001211800000000 ] - [ 0.0000439700000000, -0.0000837000000000, -0.0000339200000000 ] - [ -0.0000069300000000, -0.0000000200000000, 0.0000507400000000 ] - [ 0.0000363900000000, -0.0000003300000000, -0.0000604900000000 ] - [ 0.0000475500000000, 0.0000289300000000, -0.0000395200000000 ] - [ 0.0000473200000000, -0.0000289100000000, -0.0000406900000000 ]- atom: 32 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0000129100000000, -0.0000045100000000, 0.0013833900000000 ] - [ -0.0001964000000000, 0.0000043000000000, 0.0012994900000000 ] - [ 0.0008984400000000, 0.0000486900000000, 0.0007510200000000 ] - [ 0.0002051400000000, 0.0000283500000000, 0.0016654300000000 ] - [ 0.0009287600000000, 0.0049415500000000, -0.0141481900000000 ] - [ 0.0057046900000000, 0.0125032100000000, 0.0131397400000000 ] - [ -0.0011903800000000, 0.0006928600000000, 0.0022630600000000 ] - [ -0.0004733800000000, 0.0002721900000000, -0.0011748800000000 ] - [ 0.0000219300000000, 0.0000031000000000, 0.0012839500000000 ] - [ -0.0000423800000000, 0.0000447900000000, 0.0015085400000000 ] - [ -0.0000162600000000, -0.0000045900000000, 0.0013405700000000 ] - [ -0.0002429700000000, 0.0000057900000000, 0.0014038800000000 ] - [ -0.0012867600000000, 0.0006947800000000, 0.0022406800000000 ] - [ -0.0002607100000000, 0.0000439900000000, 0.0015400500000000 ] - [ 0.0009771900000000, 0.0049605700000000, -0.0141004900000000 ] - [ -0.0004369100000000, 0.0002718400000000, -0.0011392800000000 ] - [ 0.0009870700000000, 0.0000492000000000, 0.0007825200000000 ] - [ 0.0056158700000000, 0.0123403000000000, 0.0129672000000000 ] - [ -0.0000172600000000, 0.0000043300000000, 0.0013873400000000 ] - [ 0.0004243000000000, 0.0000282800000000, 0.0016320100000000 ] - [ -0.0000050700000000, -0.0000015400000000, 0.0021787400000000 ] - [ 0.0001744100000000, 0.0000019000000000, 0.0023955300000000 ] - [ 0.0002770000000000, -0.0000705100000000, 0.0021212900000000 ] - [ 0.0001950700000000, -0.0000540300000000, 0.0020401300000000 ] - [ 0.0002859800000000, 0.0000700600000000, 0.0021321700000000 ] - [ -0.0010835200000000, 0.0001508600000000, 0.0012892200000000 ] - [ -0.0103342600000000, 0.0001540100000000, -0.0011402200000000 ] - [ 0.0111707500000000, -0.0108015800000000, 0.0018787900000000 ] - [ 0.0021283300000000, 0.0001989100000000, 0.0037505100000000 ] - [ 0.0021283100000000, 0.0004023700000000, -0.0015668900000000 ] - [ -0.0002611500000000, -0.0000262700000000, 0.0026343000000000 ] - [ -0.0400275300000000, -0.0213971000000000, -0.1632473500000000 ] - [ 0.0016930400000000, 0.0008614200000000, -0.0087150100000000 ] - [ 0.0020377800000000, 0.0004108700000000, -0.0014749400000000 ] - [ -0.0009171700000000, 0.0000304000000000, 0.0012908200000000 ] - [ -0.0000929600000000, -0.0000069400000000, 0.0019633700000000 ] - [ -0.0007484000000000, -0.0000331800000000, 0.0013453100000000 ] - [ 0.0001679400000000, -0.0000948600000000, 0.0021026500000000 ] - [ -0.0000061100000000, 0.0000907700000000, 0.0021107800000000 ] - [ 0.0004022900000000, -0.0000543800000000, 0.0019460900000000 ] - [ -0.0000097900000000, -0.0000014600000000, 0.0021184800000000 ] - [ 0.0001761100000000, 0.0000019700000000, 0.0023910000000000 ] - [ 0.0000914100000000, -0.0000685500000000, 0.0021209500000000 ] - [ -0.0007263400000000, -0.0001415100000000, 0.0027194000000000 ] - [ 0.0000986200000000, 0.0000685200000000, 0.0021324700000000 ] - [ 0.0008839600000000, -0.0002389000000000, 0.0024383000000000 ] - [ 0.0111248900000000, -0.0107185900000000, 0.0019695300000000 ] - [ -0.0104121500000000, 0.0001492700000000, -0.0012439700000000 ] - [ -0.0009141900000000, -0.0001530600000000, 0.0013451800000000 ] - [ -0.0048083300000000, -0.0050420000000000, 0.0105282200000000 ] - [ -0.0002233200000000, -0.0000069400000000, 0.0019583400000000 ] - [ -0.0003272400000000, -0.0008939700000000, -0.0090151200000000 ] - [ 0.0069722200000000, -0.0012563200000000, -0.0335704300000000 ] - [ -0.0049885300000000, -0.0051221600000000, 0.0107285300000000 ] - [ 0.0010430300000000, -0.0003574700000000, 0.0024325200000000 ] - [ -0.0001291200000000, -0.0000263900000000, 0.0026365200000000 ] - [ 0.0022825300000000, 0.0003171300000000, 0.0037199400000000 ] - [ -0.0000132500000000, -0.0000909400000000, 0.0021022000000000 ] - [ 0.0001785000000000, 0.0000941400000000, 0.0021111100000000 ] - [ -0.0005195500000000, -0.0001442500000000, 0.0026300700000000 ] - [ -0.0001708700000000, 0.0001755300000000, -0.0013956100000000 ] - [ -0.0000989900000000, 0.0000085400000000, -0.0016800600000000 ] - [ -0.0001621800000000, -0.0001797900000000, -0.0014341200000000 ] - [ 0.0000980400000000, 0.0000014200000000, -0.0015204900000000 ] - [ 0.0002536100000000, -0.0000046200000000, -0.0014496200000000 ] - [ -0.0007222300000000, 0.0002131400000000, -0.0013171700000000 ] - [ 0.0000856700000000, -0.0000025100000000, -0.0016534800000000 ] - [ -0.0002995200000000, -0.0001433100000000, -0.0014442900000000 ] - [ -0.0015627700000000, 0.0010980000000000, -0.0021101000000000 ] - [ -0.0006405400000000, -0.0001754300000000, -0.0011741700000000 ] - [ 0.0002817700000000, -0.0000100000000000, -0.0009391900000000 ] - [ -0.0002898000000000, 0.0001350000000000, -0.0014145700000000 ] - [ -0.0020155800000000, -0.0009603600000000, -0.0011811600000000 ] - [ 0.0279517900000000, 0.0042237000000000, 0.0305544400000000 ] - [ -0.0001938400000000, -0.0002713900000000, -0.0026083600000000 ] - [ -0.0000433100000000, -0.0001460400000000, -0.0056429800000000 ] - [ -0.0023546100000000, -0.0009502500000000, 0.0046765700000000 ] - [ 0.0020211500000000, 0.0006439500000000, 0.0050253100000000 ] - [ -0.0040432800000000, 0.0010259800000000, 0.0040016000000000 ] - [ -0.0001182600000000, -0.0002405300000000, 0.0005036900000000 ] - [ -0.0060713500000000, 0.0171904200000000, 0.0265053600000000 ] - [ -0.0001538400000000, -0.0001138000000000, 0.0004483800000000 ] - [ -0.0025062200000000, -0.0009493400000000, 0.0045882800000000 ] - [ 0.0020721400000000, 0.0005856100000000, 0.0052047100000000 ] - [ 0.0003597000000000, 0.0000098900000000, -0.0013416200000000 ] - [ -0.0000930500000000, -0.0002799200000000, -0.0057077700000000 ] - [ 0.0022496700000000, 0.0000409700000000, -0.0008888600000000 ] - [ 0.0032749700000000, -0.0007962400000000, 0.0039622900000000 ] - [ 0.0003698900000000, -0.0000105300000000, -0.0009413900000000 ] - [ -0.0000613700000000, 0.0001248700000000, -0.0012030800000000 ] - [ 0.0016215400000000, -0.0000387900000000, -0.0009195100000000 ] - [ -0.0004612500000000, -0.0001258700000000, -0.0012357300000000 ] - [ 0.0000661900000000, -0.0000006200000000, -0.0016240600000000 ] - [ -0.0000496600000000, -0.0001255300000000, -0.0012226500000000 ] - [ 0.0005105000000000, -0.0000046700000000, -0.0014638000000000 ] - [ 0.0005684800000000, 0.0000194200000000, -0.0014861500000000 ] - [ 0.0000238000000000, 0.0000013600000000, -0.0013294900000000 ] - [ 0.0000309000000000, 0.0000085600000000, -0.0018044900000000 ] - [ -0.0000766000000000, 0.0000156500000000, -0.0013205800000000 ] - [ -0.0000768400000000, -0.0000160900000000, -0.0013246600000000 ] - [ -0.0001611700000000, 0.0001795500000000, -0.0014351600000000 ] - [ 0.0000456100000000, 0.0000050100000000, -0.0018070100000000 ] - [ -0.0001710000000000, -0.0001755200000000, -0.0013936300000000 ] - [ 0.0001442300000000, 0.0000005700000000, -0.0014806200000000 ] - [ 0.0000212000000000, -0.0000082600000000, -0.0013118200000000 ] - [ 0.0003862800000000, 0.0000718300000000, -0.0014176700000000 ] - [ 0.0001358200000000, -0.0000008300000000, -0.0015992400000000 ] - [ -0.0001097400000000, -0.0000799100000000, -0.0012195300000000 ] - [ 0.0014409900000000, -0.0000398400000000, -0.0008583300000000 ] - [ 0.0001914800000000, -0.0000731500000000, -0.0011960100000000 ] - [ 0.0000701400000000, 0.0002096000000000, -0.0019063800000000 ] - [ -0.0001218700000000, 0.0000794800000000, -0.0012011600000000 ] - [ 0.0022118000000000, 0.0000397700000000, -0.0009565400000000 ] - [ 0.0032246200000000, -0.0008542600000000, 0.0037843700000000 ] - [ 0.0002079700000000, 0.0000097900000000, -0.0013313700000000 ] - [ -0.0000105100000000, 0.0002038100000000, 0.0004193900000000 ] - [ -0.0074899700000000, -0.0135888100000000, 0.0240617900000000 ] - [ -0.0013021000000000, 0.0006958000000000, 0.0069065700000000 ] - [ -0.0061366000000000, 0.0174303800000000, 0.0266726400000000 ] - [ -0.0005750000000000, 0.0001417200000000, -0.0020007000000000 ] - [ -0.0041024500000000, 0.0010203100000000, 0.0039926900000000 ] - [ -0.0006091500000000, 0.0002699800000000, -0.0020545100000000 ] - [ -0.0077724000000000, -0.0137715400000000, 0.0239621500000000 ] - [ -0.0012800700000000, 0.0006466000000000, 0.0070603300000000 ] - [ -0.0000394500000000, -0.0002662400000000, -0.0026153100000000 ] - [ -0.0000467700000000, 0.0000773000000000, 0.0003625600000000 ] - [ -0.0019634200000000, -0.0009501600000000, -0.0011095500000000 ] - [ 0.0271474700000000, 0.0041845000000000, 0.0301847100000000 ] - [ 0.0001465100000000, 0.0002103300000000, -0.0018992100000000 ] - [ -0.0002325500000000, 0.0001812900000000, -0.0014136600000000 ] - [ -0.0013801000000000, 0.0010984500000000, -0.0021562200000000 ] - [ 0.0003706200000000, -0.0000220500000000, -0.0012610700000000 ] - [ 0.0000232100000000, -0.0000017700000000, -0.0016831000000000 ] - [ -0.0002424700000000, -0.0001896600000000, -0.0014444200000000 ] - [ 0.0002805500000000, -0.0000080600000000, -0.0013271700000000 ] - [ -0.0005430500000000, 0.0001637700000000, -0.0013806400000000 ] - [ 0.0000735200000000, 0.0000004600000000, -0.0012907700000000 ] - [ 0.0001742000000000, 0.0000050700000000, -0.0019343300000000 ] - [ -0.0000661000000000, 0.0000169900000000, -0.0013625200000000 ] - [ -0.0000654100000000, -0.0000173600000000, -0.0013655700000000 ]- atom: 32 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0000780000000000, -0.0000026700000000, -0.0015381200000000 ] - [ 0.0000426400000000, -0.0000034600000000, -0.0013332900000000 ] - [ -0.0010119800000000, -0.0000476500000000, -0.0007721000000000 ] - [ -0.0004015400000000, -0.0000274600000000, -0.0015770600000000 ] - [ -0.0009919800000000, -0.0049701700000000, 0.0140911900000000 ] - [ -0.0055465900000000, -0.0123092500000000, -0.0129908400000000 ] - [ 0.0012475000000000, -0.0007070900000000, -0.0022318100000000 ] - [ 0.0004752400000000, -0.0002711400000000, 0.0011242200000000 ] - [ -0.0000691700000000, -0.0000046100000000, -0.0013596300000000 ] - [ 0.0002885900000000, -0.0000451600000000, -0.0015512000000000 ] - [ 0.0000812800000000, -0.0000027200000000, -0.0014955900000000 ] - [ 0.0000887200000000, -0.0000048000000000, -0.0014374900000000 ] - [ 0.0011567400000000, -0.0006804000000000, -0.0022526500000000 ] - [ 0.0000602200000000, -0.0000431800000000, -0.0014533300000000 ] - [ -0.0009427800000000, -0.0049310100000000, 0.0140968500000000 ] - [ 0.0005085100000000, -0.0002721100000000, 0.0011225900000000 ] - [ -0.0009474500000000, -0.0000494800000000, -0.0007414500000000 ] - [ -0.0057006700000000, -0.0125339600000000, -0.0131826500000000 ] - [ -0.0000296200000000, -0.0000058500000000, -0.0014637000000000 ] - [ -0.0001823100000000, -0.0000283300000000, -0.0016763600000000 ] - [ 0.0001226700000000, 0.0000015400000000, -0.0022130100000000 ] - [ -0.0000101700000000, -0.0000017700000000, -0.0024044700000000 ] - [ -0.0002375000000000, -0.0002280800000000, -0.0021481400000000 ] - [ -0.0005059100000000, 0.0000539600000000, -0.0019189300000000 ] - [ -0.0002478200000000, 0.0002287600000000, -0.0021554700000000 ] - [ 0.0010089300000000, 0.0000308600000000, -0.0013159800000000 ] - [ 0.0103302200000000, -0.0001715400000000, 0.0012148600000000 ] - [ -0.0111883900000000, 0.0107794700000000, -0.0018312000000000 ] - [ -0.0021701900000000, -0.0003798900000000, -0.0037574000000000 ] - [ -0.0020298300000000, -0.0003987000000000, 0.0014556700000000 ] - [ -0.0000766800000000, 0.0000259100000000, -0.0026208300000000 ] - [ 0.0400748100000000, 0.0213211000000000, 0.1632221600000000 ] - [ -0.0016479300000000, -0.0007787900000000, 0.0086925000000000 ] - [ -0.0021572700000000, -0.0004144600000000, 0.0015232300000000 ] - [ 0.0011936100000000, -0.0000600300000000, -0.0013199800000000 ] - [ 0.0000111800000000, 0.0000071700000000, -0.0019752000000000 ] - [ 0.0010218300000000, 0.0000629400000000, -0.0013769700000000 ] - [ -0.0001190100000000, 0.0001203200000000, -0.0021867100000000 ] - [ 0.0000563100000000, -0.0001159100000000, -0.0021966700000000 ] - [ -0.0003092300000000, 0.0000545900000000, -0.0019673400000000 ] - [ 0.0001273700000000, 0.0000014800000000, -0.0021530000000000 ] - [ -0.0000124700000000, -0.0000017800000000, -0.0023999700000000 ] - [ -0.0000550000000000, -0.0002300400000000, -0.0021483400000000 ] - [ 0.0004088400000000, 0.0001389700000000, -0.0025932500000000 ] - [ -0.0000619500000000, 0.0002302300000000, -0.0021555400000000 ] - [ -0.0009495500000000, 0.0004190800000000, -0.0024601900000000 ] - [ -0.0111970400000000, 0.0107402900000000, -0.0019212200000000 ] - [ 0.0103263700000000, -0.0001318500000000, 0.0012651100000000 ] - [ 0.0008425700000000, -0.0000285600000000, -0.0013713600000000 ] - [ 0.0049812700000000, 0.0051468400000000, -0.0107010500000000 ] - [ -0.0001143000000000, 0.0000068700000000, -0.0019504000000000 ] - [ 0.0003723000000000, 0.0008114800000000, 0.0089929800000000 ] - [ -0.0069265500000000, 0.0013383900000000, 0.0335474700000000 ] - [ 0.0047953500000000, 0.0050175600000000, -0.0106177700000000 ] - [ -0.0007756600000000, 0.0003293800000000, -0.0024666600000000 ] - [ 0.0000474600000000, 0.0000269700000000, -0.0026538800000000 ] - [ -0.0020393100000000, -0.0002880400000000, -0.0037712600000000 ] - [ 0.0000636700000000, 0.0001162000000000, -0.0021865200000000 ] - [ -0.0001298300000000, -0.0001194700000000, -0.0021966400000000 ] - [ 0.0006195500000000, 0.0001469500000000, -0.0026560600000000 ] - [ 0.0001200200000000, 0.0000971500000000, 0.0013853000000000 ] - [ -0.0001007400000000, -0.0000085000000000, 0.0019689800000000 ] - [ 0.0001113600000000, -0.0000928600000000, 0.0014219800000000 ] - [ -0.0001544500000000, -0.0000012800000000, 0.0014989000000000 ] - [ -0.0004037900000000, 0.0000045700000000, 0.0013725100000000 ] - [ 0.0005954100000000, -0.0002347500000000, 0.0014085100000000 ] - [ 0.0000606100000000, 0.0000025900000000, 0.0014149400000000 ] - [ 0.0001842600000000, 0.0001420000000000, 0.0014192400000000 ] - [ 0.0012498500000000, -0.0010961100000000, 0.0022784100000000 ] - [ 0.0005133600000000, 0.0001973200000000, 0.0012626600000000 ] - [ -0.0003740800000000, 0.0000100500000000, 0.0009632300000000 ] - [ 0.0001748600000000, -0.0001336900000000, 0.0013882700000000 ] - [ 0.0019418800000000, 0.0009576400000000, 0.0011246900000000 ] - [ -0.0263831900000000, -0.0042080500000000, -0.0298472500000000 ] - [ 0.0001474300000000, 0.0002651500000000, 0.0025017300000000 ] - [ 0.0000618500000000, 0.0003703300000000, 0.0056163600000000 ] - [ 0.0024814400000000, 0.0009483400000000, -0.0046571600000000 ] - [ -0.0020447900000000, -0.0005200300000000, -0.0051577700000000 ] - [ 0.0040050900000000, -0.0010273100000000, -0.0039453800000000 ] - [ 0.0001341900000000, 0.0000200800000000, -0.0004657200000000 ] - [ 0.0062825900000000, -0.0178942200000000, -0.0268039300000000 ] - [ 0.0001015400000000, 0.0001382200000000, -0.0005217100000000 ] - [ 0.0023485800000000, 0.0009513200000000, -0.0047403200000000 ] - [ -0.0019938000000000, -0.0005850000000000, -0.0050030100000000 ] - [ -0.0001001800000000, -0.0000098700000000, 0.0012748500000000 ] - [ 0.0000383300000000, 0.0002521100000000, 0.0057007100000000 ] - [ -0.0022342800000000, -0.0000442500000000, 0.0009594100000000 ] - [ -0.0031922400000000, 0.0007952300000000, -0.0037595500000000 ] - [ -0.0002824800000000, 0.0000105900000000, 0.0009589700000000 ] - [ 0.0000989800000000, -0.0000932000000000, 0.0012042300000000 ] - [ -0.0015714100000000, 0.0000430700000000, 0.0009418200000000 ] - [ 0.0006849000000000, 0.0002367800000000, 0.0011926100000000 ] - [ -0.0001027100000000, 0.0000007100000000, 0.0018734600000000 ] - [ 0.0000871500000000, 0.0000940400000000, 0.0012234000000000 ] - [ -0.0001890200000000, 0.0000049200000000, 0.0013836300000000 ] - [ -0.0003550100000000, -0.0001292700000000, 0.0014433600000000 ] - [ -0.0000465500000000, -0.0000015000000000, 0.0015534700000000 ] - [ 0.0000101400000000, -0.0000085100000000, 0.0017871300000000 ] - [ 0.0001774600000000, 0.0000350400000000, 0.0013780400000000 ] - [ 0.0001770900000000, -0.0000345400000000, 0.0013796400000000 ] - [ 0.0001106100000000, 0.0000930800000000, 0.0014244300000000 ] - [ -0.0002442400000000, -0.0000049100000000, 0.0020948300000000 ] - [ 0.0001199600000000, -0.0000971200000000, 0.0013819400000000 ] - [ -0.0002002800000000, -0.0000004300000000, 0.0014590400000000 ] - [ -0.0001730400000000, 0.0000082100000000, 0.0012358400000000 ] - [ -0.0005035700000000, -0.0000943700000000, 0.0015063600000000 ] - [ 0.0000109500000000, 0.0000009800000000, 0.0013608600000000 ] - [ -0.0000038600000000, 0.0000791400000000, 0.0011961300000000 ] - [ -0.0017415400000000, 0.0000357500000000, 0.0010316200000000 ] - [ -0.0003127200000000, 0.0000955900000000, 0.0012856500000000 ] - [ -0.0001643300000000, -0.0002046800000000, 0.0019233100000000 ] - [ 0.0000081000000000, -0.0000786700000000, 0.0011763700000000 ] - [ -0.0022664800000000, -0.0000364100000000, 0.0009044200000000 ] - [ -0.0032527700000000, 0.0007310800000000, -0.0039181600000000 ] - [ -0.0002511700000000, -0.0000096400000000, 0.0012348400000000 ] - [ 0.0000260400000000, 0.0000169200000000, -0.0003795400000000 ] - [ 0.0079365500000000, 0.0140755800000000, -0.0241970900000000 ] - [ 0.0012879400000000, -0.0005790900000000, -0.0070252600000000 ] - [ 0.0057245800000000, -0.0167285200000000, -0.0262760000000000 ] - [ 0.0005996300000000, -0.0003653700000000, 0.0020443600000000 ] - [ 0.0039371500000000, -0.0010187100000000, -0.0039593300000000 ] - [ 0.0005482500000000, -0.0002414400000000, 0.0019766700000000 ] - [ 0.0072954800000000, 0.0132846200000000, -0.0239540200000000 ] - [ 0.0013490500000000, -0.0006391400000000, -0.0068719800000000 ] - [ 0.0003020100000000, 0.0002730900000000, 0.0025595400000000 ] - [ -0.0000051500000000, -0.0001017100000000, -0.0004375400000000 ] - [ 0.0019981500000000, 0.0009531100000000, 0.0011846000000000 ] - [ -0.0286780400000000, -0.0043252900000000, -0.0308158400000000 ] - [ -0.0000569700000000, -0.0002151800000000, 0.0019239100000000 ] - [ 0.0002714400000000, -0.0001497900000000, 0.0014164000000000 ] - [ 0.0014430100000000, -0.0011002000000000, 0.0021833500000000 ] - [ -0.0001529600000000, 0.0001323500000000, 0.0012169100000000 ] - [ -0.0000592600000000, 0.0000019000000000, 0.0019328100000000 ] - [ 0.0002816500000000, 0.0001585000000000, 0.0014468100000000 ] - [ 0.0000425900000000, 0.0000083400000000, 0.0012459100000000 ] - [ 0.0007664500000000, -0.0002747700000000, 0.0013351000000000 ] - [ -0.0000968600000000, -0.0000005000000000, 0.0015147100000000 ] - [ -0.0001342900000000, -0.0000050400000000, 0.0019182200000000 ] - [ 0.0001667100000000, 0.0000337200000000, 0.0014202500000000 ] - [ 0.0001655200000000, -0.0000332100000000, 0.0014208500000000 ]- atom: 34 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0000379200000000, 0.0000000000000000, -0.0002327300000000 ] - [ -0.0006270700000000, 0.0000000000000000, 0.0004420600000000 ] - [ -0.0112577000000000, 0.0000000000000000, 0.0054957000000000 ] - [ -0.0000879000000000, 0.0000000000000000, -0.0014399200000000 ] - [ -0.0021299700000000, 0.0000000000000000, 0.0046559800000000 ] - [ 0.0120551400000000, 0.0000000000000000, 0.0052051700000000 ] - [ -0.0000246100000000, 0.0000000000000000, 0.0000986500000000 ] - [ -0.0004601500000000, 0.0000000000000000, -0.0001780600000000 ] - [ -0.0000332900000000, 0.0000000000000000, -0.0000610300000000 ] - [ 0.0000823300000000, 0.0000000000000000, -0.0000539500000000 ] - [ 0.0000205200000000, 0.0000000000000000, -0.0000107200000000 ] - [ 0.0004395800000000, 0.0000000000000000, -0.0004251500000000 ] - [ 0.0060644900000000, 0.0000000000000000, 0.0004366900000000 ] - [ 0.0017041200000000, 0.0000000000000000, 0.0014821100000000 ] - [ 0.0025508800000000, 0.0000000000000000, -0.0020435500000000 ] - [ 0.0035567800000000, 0.0000000000000000, -0.0052053500000000 ] - [ 0.0000724300000000, 0.0000000000000000, -0.0001267300000000 ] - [ 0.0006630000000000, 0.0000000000000000, 0.0000295500000000 ] - [ -0.0000120100000000, 0.0000000000000000, -0.0000921200000000 ] - [ 0.0001620200000000, 0.0000000000000000, -0.0000819900000000 ] - [ 0.0002450100000000, 0.0000000000000000, -0.0002395800000000 ] - [ -0.0000722500000000, 0.0000000000000000, -0.0001140900000000 ] - [ -0.0005776400000000, -0.0001539300000000, -0.0004918100000000 ] - [ -0.0084794200000000, 0.0000000000000000, 0.0001134200000000 ] - [ -0.0005776400000000, 0.0001539300000000, -0.0004918100000000 ] - [ 0.0112097500000000, -0.0056102600000000, 0.0097049800000000 ] - [ -0.0012648000000000, 0.0000000000000000, 0.0007548100000000 ] - [ -0.0037228800000000, 0.0000000000000000, 0.0054381500000000 ] - [ 0.0090274600000000, 0.0114083400000000, -0.0117494500000000 ] - [ 0.0000748500000000, 0.0000000000000000, -0.0009883300000000 ] - [ 0.0006037700000000, 0.0000000000000000, -0.0031353500000000 ] - [ 0.0035113100000000, -0.0005223400000000, 0.0015904100000000 ] - [ -0.0033805000000000, -0.0003455000000000, -0.0044272300000000 ] - [ -0.1574723000000000, 0.0000000000000000, -0.0048338000000000 ] - [ -0.0001001600000000, -0.0000071600000000, -0.0000714100000000 ] - [ -0.0000547400000000, 0.0000000000000000, -0.0000904600000000 ] - [ -0.0001001600000000, 0.0000071600000000, -0.0000714100000000 ] - [ 0.0000744000000000, 0.0000154500000000, -0.0001124700000000 ] - [ -0.0000271200000000, -0.0000098200000000, -0.0000985600000000 ] - [ 0.0000514300000000, 0.0000000000000000, -0.0001295100000000 ] - [ -0.0001732100000000, 0.0000000000000000, 0.0000761500000000 ] - [ 0.0002647600000000, 0.0000000000000000, -0.0000342300000000 ] - [ 0.0007750400000000, -0.0003160900000000, 0.0002340400000000 ] - [ 0.0035273200000000, 0.0000000000000000, -0.0001445300000000 ] - [ 0.0007750400000000, 0.0003160900000000, 0.0002340400000000 ] - [ 0.0090274600000000, -0.0114083400000000, -0.0117494500000000 ] - [ 0.0007452700000000, 0.0000000000000000, -0.0009511600000000 ] - [ 0.0124442000000000, 0.0000000000000000, -0.0063737100000000 ] - [ 0.0112097500000000, 0.0056102600000000, 0.0097049800000000 ] - [ 0.0000428900000000, 0.0000000000000000, 0.0006646900000000 ] - [ -0.0014650100000000, 0.0000000000000000, 0.0027783500000000 ] - [ -0.0033805000000000, 0.0003455000000000, -0.0044272300000000 ] - [ 0.0035113100000000, 0.0005223400000000, 0.0015904100000000 ] - [ 0.0068565600000000, 0.0000000000000000, 0.0004948800000000 ] - [ 0.0003734100000000, -0.0000383900000000, -0.0001054600000000 ] - [ -0.0000262900000000, 0.0000000000000000, -0.0000592800000000 ] - [ 0.0003734100000000, 0.0000383900000000, -0.0001054600000000 ] - [ -0.0000271200000000, 0.0000098200000000, -0.0000985600000000 ] - [ 0.0000744000000000, -0.0000154500000000, -0.0001124700000000 ] - [ 0.0000401200000000, 0.0000000000000000, -0.0000283700000000 ] - [ 0.0002109000000000, 0.0001143800000000, 0.0000138800000000 ] - [ 0.0007854800000000, 0.0000000000000000, 0.0003730700000000 ] - [ -0.0002309900000000, -0.0001769300000000, 0.0000913700000000 ] - [ 0.0000600600000000, 0.0000000000000000, 0.0002441900000000 ] - [ -0.0014633000000000, 0.0000000000000000, 0.0004152200000000 ] - [ 0.0050581700000000, 0.0016187000000000, 0.0032761800000000 ] - [ 0.0001856000000000, 0.0000000000000000, 0.0002155100000000 ] - [ 0.0001462100000000, 0.0002582300000000, 0.0010048200000000 ] - [ 0.0027836700000000, 0.0000000000000000, 0.0005470600000000 ] - [ 0.0050581700000000, -0.0016187000000000, 0.0032761800000000 ] - [ 0.0002112200000000, 0.0000000000000000, -0.0057467700000000 ] - [ 0.0001462100000000, -0.0002582300000000, 0.0010048200000000 ] - [ 0.0778373200000000, 0.0000000000000000, -0.0174108600000000 ] - [ -0.0028254700000000, -0.0018409800000000, -0.0049244400000000 ] - [ -0.0040346200000000, 0.0000000000000000, 0.0058252300000000 ] - [ -0.0072639800000000, -0.0021902000000000, -0.0008583300000000 ] - [ 0.0005150800000000, 0.0000000000000000, 0.0016945400000000 ] - [ -0.0018985400000000, 0.0014059500000000, 0.0044301600000000 ] - [ 0.0048395400000000, 0.0000000000000000, 0.0017504200000000 ] - [ 0.0229666400000000, -0.0322201700000000, 0.0097007800000000 ] - [ -0.0004418500000000, 0.0000000000000000, -0.0013082300000000 ] - [ 0.0001813600000000, -0.0000901300000000, 0.0002507600000000 ] - [ 0.0087125900000000, 0.0000000000000000, 0.0060682600000000 ] - [ 0.0010377000000000, 0.0001566900000000, 0.0001269000000000 ] - [ 0.0001862600000000, 0.0000000000000000, 0.0000755000000000 ] - [ -0.0002598700000000, -0.0000701400000000, -0.0002436000000000 ] - [ 0.0002790300000000, 0.0000000000000000, -0.0000865900000000 ] - [ 0.0010377000000000, -0.0001566900000000, 0.0001269000000000 ] - [ 0.0000956100000000, 0.0000000000000000, 0.0000716600000000 ] - [ 0.0000417200000000, 0.0000080200000000, 0.0000385800000000 ] - [ 0.0002127600000000, 0.0000000000000000, -0.0000882900000000 ] - [ 0.0000910200000000, 0.0000576400000000, 0.0000605500000000 ] - [ 0.0000161300000000, 0.0000000000000000, 0.0001445300000000 ] - [ 0.0000417200000000, -0.0000080200000000, 0.0000385800000000 ] - [ 0.0001690600000000, 0.0000000000000000, -0.0000085200000000 ] - [ 0.0001376200000000, -0.0000571300000000, -0.0000241600000000 ] - [ -0.0000597300000000, 0.0000000000000000, 0.0001873700000000 ] - [ 0.0000066200000000, 0.0000000000000000, 0.0000541900000000 ] - [ 0.0000145800000000, 0.0000214700000000, 0.0000261300000000 ] - [ 0.0000145800000000, -0.0000214700000000, 0.0000261300000000 ] - [ -0.0002309900000000, 0.0001769300000000, 0.0000913700000000 ] - [ -0.0008025100000000, 0.0000000000000000, 0.0000097700000000 ] - [ 0.0002109000000000, -0.0001143800000000, 0.0000138800000000 ] - [ -0.0001301400000000, 0.0000000000000000, -0.0002463900000000 ] - [ 0.0012262400000000, 0.0000000000000000, 0.0001842000000000 ] - [ -0.0030257300000000, 0.0004592500000000, -0.0011315400000000 ] - [ -0.0001054100000000, 0.0000000000000000, -0.0003515000000000 ] - [ -0.0004887100000000, -0.0001352100000000, -0.0012243900000000 ] - [ -0.0080388700000000, 0.0000000000000000, -0.0015268300000000 ] - [ -0.0030257300000000, -0.0004592500000000, -0.0011315400000000 ] - [ -0.0017735700000000, 0.0000000000000000, 0.0016045800000000 ] - [ -0.0004887100000000, 0.0001352100000000, -0.0012243900000000 ] - [ -0.0061076100000000, 0.0000000000000000, 0.0003117700000000 ] - [ -0.0018985400000000, -0.0014059500000000, 0.0044301600000000 ] - [ -0.0003410500000000, 0.0000000000000000, -0.0053464200000000 ] - [ 0.0229666400000000, 0.0322201700000000, 0.0097007800000000 ] - [ -0.0003944000000000, 0.0000000000000000, -0.0014328300000000 ] - [ -0.0028254700000000, 0.0018409800000000, -0.0049244400000000 ] - [ -0.0045991200000000, 0.0000000000000000, 0.0004782000000000 ] - [ -0.0072639800000000, 0.0021902000000000, -0.0008583300000000 ] - [ 0.0008320500000000, 0.0000000000000000, 0.0004840300000000 ] - [ -0.0002598700000000, 0.0000701400000000, -0.0002436000000000 ] - [ -0.0029735000000000, 0.0000000000000000, -0.0005619900000000 ] - [ -0.0010984800000000, -0.0000564900000000, 0.0004669000000000 ] - [ 0.0000668300000000, 0.0000000000000000, -0.0000245800000000 ] - [ 0.0001813600000000, 0.0000901300000000, 0.0002507600000000 ] - [ -0.0002764900000000, 0.0000000000000000, 0.0002895400000000 ] - [ -0.0010984800000000, 0.0000564900000000, 0.0004669000000000 ] - [ -0.0000172300000000, 0.0000000000000000, 0.0000190700000000 ] - [ 0.0000051000000000, 0.0000134000000000, 0.0000412100000000 ] - [ -0.0000986900000000, 0.0000000000000000, 0.0002092800000000 ] - [ 0.0001376200000000, 0.0000571300000000, -0.0000241600000000 ] - [ -0.0000540500000000, 0.0000000000000000, 0.0002089500000000 ] - [ 0.0000051000000000, -0.0000134000000000, 0.0000412100000000 ] - [ 0.0001383300000000, 0.0000000000000000, 0.0000072000000000 ] - [ 0.0000910200000000, -0.0000576400000000, 0.0000605500000000 ] - [ 0.0000331500000000, 0.0000000000000000, 0.0001313400000000 ] - [ 0.0000284600000000, 0.0000000000000000, 0.0000370600000000 ] - [ 0.0000894000000000, 0.0000307400000000, 0.0001079200000000 ] - [ 0.0000894000000000, -0.0000307400000000, 0.0001079200000000 ]- atom: 34 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0000228700000000, 0.0000000000000000, 0.0000809600000000 ] - [ 0.0004778100000000, 0.0000000000000000, -0.0004783600000000 ] - [ 0.0111751500000000, 0.0000000000000000, -0.0055436400000000 ] - [ -0.0001090800000000, 0.0000000000000000, 0.0015325400000000 ] - [ 0.0021577800000000, 0.0000000000000000, -0.0047168500000000 ] - [ -0.0120918500000000, 0.0000000000000000, -0.0051966700000000 ] - [ 0.0000704900000000, 0.0000000000000000, -0.0000617600000000 ] - [ 0.0004631400000000, 0.0000000000000000, 0.0001250800000000 ] - [ -0.0000098200000000, 0.0000000000000000, -0.0000134100000000 ] - [ 0.0001619400000000, 0.0000000000000000, 0.0000103800000000 ] - [ 0.0000418200000000, 0.0000000000000000, -0.0001417200000000 ] - [ -0.0005883600000000, 0.0000000000000000, 0.0003898400000000 ] - [ -0.0061609800000000, 0.0000000000000000, -0.0004350900000000 ] - [ -0.0019034500000000, 0.0000000000000000, -0.0013872400000000 ] - [ -0.0025636000000000, 0.0000000000000000, 0.0019991200000000 ] - [ -0.0035354500000000, 0.0000000000000000, 0.0052309200000000 ] - [ -0.0000299300000000, 0.0000000000000000, 0.0001654600000000 ] - [ -0.0006616500000000, 0.0000000000000000, -0.0000949600000000 ] - [ -0.0000309300000000, 0.0000000000000000, 0.0000175500000000 ] - [ 0.0000817800000000, 0.0000000000000000, 0.0000380500000000 ] - [ -0.0001260900000000, 0.0000000000000000, 0.0002077800000000 ] - [ 0.0002355500000000, 0.0000000000000000, 0.0001082800000000 ] - [ 0.0006139400000000, -0.0001462200000000, 0.0004657800000000 ] - [ 0.0081740200000000, 0.0000000000000000, -0.0000216600000000 ] - [ 0.0006139400000000, 0.0001462200000000, 0.0004657800000000 ] - [ -0.0112869300000000, 0.0057022400000000, -0.0096624900000000 ] - [ 0.0012845500000000, 0.0000000000000000, -0.0007137600000000 ] - [ 0.0037047600000000, 0.0000000000000000, -0.0054023900000000 ] - [ -0.0091675500000000, -0.0116188900000000, 0.0118046400000000 ] - [ 0.0000250200000000, 0.0000000000000000, 0.0008638300000000 ] - [ -0.0009424000000000, 0.0000000000000000, 0.0031489000000000 ] - [ -0.0034810300000000, 0.0004375800000000, -0.0016331000000000 ] - [ 0.0033684800000000, 0.0004664400000000, 0.0044442900000000 ] - [ 0.1622412800000000, 0.0000000000000000, 0.0020358900000000 ] - [ 0.0003723300000000, -0.0000214700000000, 0.0000362500000000 ] - [ -0.0000271400000000, 0.0000000000000000, 0.0000777000000000 ] - [ 0.0003723300000000, 0.0000214700000000, 0.0000362500000000 ] - [ -0.0000260700000000, 0.0000084500000000, 0.0000293000000000 ] - [ 0.0000757900000000, -0.0000140200000000, 0.0000151700000000 ] - [ 0.0000433500000000, 0.0000000000000000, 0.0001062400000000 ] - [ 0.0002917100000000, 0.0000000000000000, -0.0001082200000000 ] - [ -0.0001020300000000, 0.0000000000000000, 0.0000285500000000 ] - [ -0.0007409800000000, 0.0000156000000000, -0.0002591300000000 ] - [ -0.0038408800000000, 0.0000000000000000, 0.0002720800000000 ] - [ -0.0007409800000000, -0.0000156000000000, -0.0002591300000000 ] - [ -0.0091675500000000, 0.0116188900000000, 0.0118046400000000 ] - [ -0.0007589600000000, 0.0000000000000000, 0.0009895200000000 ] - [ -0.0124706400000000, 0.0000000000000000, 0.0063603200000000 ] - [ -0.0112869300000000, -0.0057022400000000, -0.0096624900000000 ] - [ 0.0000652200000000, 0.0000000000000000, -0.0007986100000000 ] - [ 0.0011255500000000, 0.0000000000000000, -0.0027753100000000 ] - [ 0.0033684800000000, -0.0004664400000000, 0.0044442900000000 ] - [ -0.0034810300000000, -0.0004375800000000, -0.0016331000000000 ] - [ -0.0069933500000000, 0.0000000000000000, -0.0004242400000000 ] - [ -0.0001032300000000, 0.0000102000000000, 0.0000670600000000 ] - [ -0.0000555200000000, 0.0000000000000000, 0.0000455400000000 ] - [ -0.0001032300000000, -0.0000102000000000, 0.0000670600000000 ] - [ 0.0000757900000000, 0.0000140200000000, 0.0000151700000000 ] - [ -0.0000260700000000, -0.0000084500000000, 0.0000293000000000 ] - [ 0.0000561700000000, 0.0000000000000000, 0.0000044300000000 ] - [ -0.0002618000000000, 0.0001598000000000, -0.0000251100000000 ] - [ -0.0009843400000000, 0.0000000000000000, -0.0000837200000000 ] - [ 0.0001799600000000, -0.0000974900000000, -0.0001033100000000 ] - [ -0.0001155200000000, 0.0000000000000000, -0.0002661600000000 ] - [ 0.0013119100000000, 0.0000000000000000, -0.0004939300000000 ] - [ -0.0052016300000000, -0.0016428100000000, -0.0031936700000000 ] - [ -0.0000413200000000, 0.0000000000000000, -0.0004518300000000 ] - [ -0.0002631300000000, -0.0002591700000000, -0.0010306200000000 ] - [ -0.0031015600000000, 0.0000000000000000, -0.0004010800000000 ] - [ -0.0052016300000000, 0.0016428100000000, -0.0031936700000000 ] - [ -0.0002912300000000, 0.0000000000000000, 0.0057611700000000 ] - [ -0.0002631300000000, 0.0002591700000000, -0.0010306200000000 ] - [ -0.0827043000000000, 0.0000000000000000, 0.0190815100000000 ] - [ 0.0028246000000000, 0.0017399200000000, 0.0048334700000000 ] - [ 0.0039867000000000, 0.0000000000000000, -0.0059153900000000 ] - [ 0.0072743800000000, 0.0024056300000000, 0.0008791300000000 ] - [ -0.0003784700000000, 0.0000000000000000, -0.0016653900000000 ] - [ 0.0018998800000000, -0.0012662400000000, -0.0045393400000000 ] - [ -0.0048813600000000, 0.0000000000000000, -0.0017160200000000 ] - [ -0.0229424300000000, 0.0312706100000000, -0.0094321700000000 ] - [ 0.0002710000000000, 0.0000000000000000, 0.0013595700000000 ] - [ -0.0002331500000000, 0.0001119800000000, -0.0003202200000000 ] - [ -0.0087533000000000, 0.0000000000000000, -0.0058081000000000 ] - [ -0.0009840700000000, -0.0001697100000000, 0.0000605500000000 ] - [ 0.0000733400000000, 0.0000000000000000, -0.0001402000000000 ] - [ 0.0002076500000000, 0.0000481100000000, 0.0001794400000000 ] - [ -0.0002631600000000, 0.0000000000000000, 0.0001670600000000 ] - [ -0.0009840700000000, 0.0001697100000000, 0.0000605500000000 ] - [ -0.0000069100000000, 0.0000000000000000, -0.0000518300000000 ] - [ -0.0000041300000000, 0.0000214300000000, -0.0000368300000000 ] - [ -0.0001621000000000, 0.0000000000000000, 0.0001245700000000 ] - [ 0.0001296500000000, 0.0000509400000000, -0.0001042900000000 ] - [ -0.0000537500000000, 0.0000000000000000, 0.0001056500000000 ] - [ -0.0000041300000000, -0.0000214300000000, -0.0000368300000000 ] - [ 0.0001529900000000, 0.0000000000000000, -0.0000723800000000 ] - [ 0.0000815600000000, -0.0000512000000000, -0.0000199500000000 ] - [ 0.0000372000000000, 0.0000000000000000, 0.0000370900000000 ] - [ 0.0000344900000000, 0.0000000000000000, -0.0000722000000000 ] - [ 0.0000873800000000, 0.0000279500000000, 0.0000299800000000 ] - [ 0.0000873800000000, -0.0000279500000000, 0.0000299800000000 ] - [ 0.0001799600000000, 0.0000974900000000, -0.0001033100000000 ] - [ 0.0006044100000000, 0.0000000000000000, 0.0002744800000000 ] - [ -0.0002618000000000, -0.0001598000000000, -0.0000251100000000 ] - [ 0.0000756500000000, 0.0000000000000000, 0.0002242600000000 ] - [ -0.0013794800000000, 0.0000000000000000, -0.0002616000000000 ] - [ 0.0029012300000000, -0.0004755800000000, 0.0012109300000000 ] - [ 0.0002505000000000, 0.0000000000000000, 0.0001156300000000 ] - [ 0.0003747700000000, 0.0001361900000000, 0.0012002000000000 ] - [ 0.0076919300000000, 0.0000000000000000, 0.0016487300000000 ] - [ 0.0029012300000000, 0.0004755800000000, 0.0012109300000000 ] - [ 0.0016811600000000, 0.0000000000000000, -0.0015904200000000 ] - [ 0.0003747700000000, -0.0001361900000000, 0.0012002000000000 ] - [ 0.0060786500000000, 0.0000000000000000, -0.0003842800000000 ] - [ 0.0018998800000000, 0.0012662400000000, -0.0045393400000000 ] - [ 0.0003052600000000, 0.0000000000000000, 0.0052761900000000 ] - [ -0.0229424300000000, -0.0312706100000000, -0.0094321700000000 ] - [ 0.0005168700000000, 0.0000000000000000, 0.0014724800000000 ] - [ 0.0028246000000000, -0.0017399200000000, 0.0048334700000000 ] - [ 0.0045586200000000, 0.0000000000000000, -0.0004175900000000 ] - [ 0.0072743800000000, -0.0024056300000000, 0.0008791300000000 ] - [ -0.0009732900000000, 0.0000000000000000, -0.0004624200000000 ] - [ 0.0002076500000000, -0.0000481100000000, 0.0001794400000000 ] - [ 0.0028238700000000, 0.0000000000000000, 0.0004022400000000 ] - [ 0.0011747500000000, 0.0000544900000000, -0.0002554400000000 ] - [ 0.0001928600000000, 0.0000000000000000, -0.0000383900000000 ] - [ -0.0002331500000000, -0.0001119800000000, -0.0003202200000000 ] - [ 0.0002979500000000, 0.0000000000000000, -0.0002069500000000 ] - [ 0.0011747500000000, -0.0000544900000000, -0.0002554400000000 ] - [ 0.0001057700000000, 0.0000000000000000, 0.0000021200000000 ] - [ 0.0000326600000000, 0.0000160700000000, -0.0000391200000000 ] - [ 0.0001546700000000, 0.0000000000000000, -0.0001693100000000 ] - [ 0.0000815600000000, 0.0000512000000000, -0.0000199500000000 ] - [ 0.0000164200000000, 0.0000000000000000, 0.0000411000000000 ] - [ 0.0000326600000000, -0.0000160700000000, -0.0000391200000000 ] - [ 0.0001841400000000, 0.0000000000000000, -0.0000882300000000 ] - [ 0.0001296500000000, -0.0000509400000000, -0.0001042900000000 ] - [ -0.0000556600000000, 0.0000000000000000, 0.0000932200000000 ] - [ 0.0000123500000000, 0.0000000000000000, -0.0000550000000000 ] - [ 0.0000117200000000, 0.0000187400000000, -0.0000512800000000 ] - [ 0.0000117200000000, -0.0000187400000000, -0.0000512800000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000333100000000, -0.0000070300000000, -0.0000779400000000 ] - [ -0.0000768100000000, 0.0000778700000000, -0.0000168600000000 ] - [ -0.0000211300000000, 0.0181591700000000, 0.0000408500000000 ] - [ -0.0000990700000000, 0.0013391200000000, 0.0000466100000000 ] - [ 0.0000075800000000, -0.0006531400000000, 0.0000000700000000 ] - [ 0.0000543000000000, -0.0005951100000000, 0.0000077000000000 ] - [ 0.0000220600000000, 0.0000065500000000, 0.0000189000000000 ] - [ 0.0000026600000000, 0.0001761400000000, -0.0000290400000000 ] - [ -0.0000249700000000, 0.0000014700000000, -0.0000387200000000 ] - [ 0.0001222400000000, 0.0000035600000000, -0.0000221500000000 ] - [ 0.0000333200000000, -0.0000090900000000, -0.0000784700000000 ] - [ -0.0000783600000000, 0.0001002800000000, -0.0000163000000000 ] - [ -0.0000574100000000, 0.0002944200000000, -0.0000077000000000 ] - [ -0.0000991800000000, 0.0001285200000000, 0.0000440200000000 ] - [ -0.0000039000000000, 0.0013566000000000, -0.0000153900000000 ] - [ 0.0000944900000000, 0.0181900500000000, 0.0000160300000000 ] - [ 0.0000221000000000, 0.0000123400000000, 0.0000187400000000 ] - [ 0.0000017700000000, 0.0000920600000000, -0.0000303100000000 ] - [ -0.0000250500000000, 0.0000012400000000, -0.0000386800000000 ] - [ 0.0001222000000000, 0.0000018100000000, -0.0000221400000000 ] - [ 0.0000594200000000, -0.0000220900000000, -0.0000177600000000 ] - [ 0.0000818800000000, 0.0000128300000000, -0.0000072900000000 ] - [ -0.0000766200000000, -0.0001491400000000, -0.0001453100000000 ] - [ -0.0001535200000000, -0.0041259700000000, 0.0000527500000000 ] - [ 0.0001146600000000, 0.0001496000000000, 0.0001212700000000 ] - [ -0.0128180600000000, 0.0006478500000000, -0.0090161600000000 ] - [ -0.0000007700000000, -0.0004414600000000, 0.0000183500000000 ] - [ -0.0001013800000000, 0.0095847700000000, -0.0000112200000000 ] - [ 0.0050160500000000, 0.0003926500000000, -0.0009048100000000 ] - [ 0.0000511900000000, -0.0000335700000000, -0.0000660400000000 ] - [ -0.0001720000000000, -0.0003371800000000, 0.0000031200000000 ] - [ 0.0004318700000000, -0.0000333500000000, 0.0003458600000000 ] - [ 0.0008205700000000, 0.0005205300000000, 0.0049818900000000 ] - [ -0.0024039900000000, -0.1654770900000000, -0.0016405200000000 ] - [ 0.0001215500000000, -0.0000147400000000, -0.0000426800000000 ] - [ -0.0000407300000000, -0.0000012900000000, -0.0000076400000000 ] - [ 0.0001498500000000, 0.0000136800000000, 0.0000049900000000 ] - [ 0.0000234400000000, 0.0000138800000000, -0.0000443100000000 ] - [ 0.0000269800000000, -0.0000138900000000, -0.0000420500000000 ] - [ 0.0000478400000000, -0.0000037800000000, -0.0000116500000000 ] - [ 0.0000596000000000, -0.0000177200000000, -0.0000178300000000 ] - [ 0.0000814100000000, 0.0000156000000000, -0.0000074700000000 ] - [ -0.0000592900000000, -0.0001530300000000, -0.0000583800000000 ] - [ -0.0001604200000000, 0.0000159900000000, 0.0000625900000000 ] - [ 0.0000948100000000, 0.0001455000000000, 0.0000321800000000 ] - [ -0.0051133800000000, 0.0004934100000000, 0.0008996700000000 ] - [ -0.0000013200000000, -0.0003336000000000, 0.0000209800000000 ] - [ -0.0000557300000000, -0.0041977500000000, 0.0000329900000000 ] - [ 0.0127669100000000, 0.0004943400000000, 0.0090113800000000 ] - [ 0.0000515000000000, 0.0000404600000000, -0.0000635400000000 ] - [ -0.0001683600000000, -0.0004378300000000, 0.0000020300000000 ] - [ -0.0007701900000000, 0.0003593600000000, -0.0050326200000000 ] - [ -0.0003895600000000, 0.0000524500000000, -0.0003697500000000 ] - [ -0.0000682800000000, -0.0008627800000000, 0.0000341900000000 ] - [ 0.0001319600000000, -0.0000138700000000, -0.0000248500000000 ] - [ -0.0000407300000000, 0.0000000800000000, -0.0000075400000000 ] - [ 0.0001396800000000, 0.0000147800000000, -0.0000129300000000 ] - [ 0.0000238800000000, 0.0000136600000000, -0.0000443200000000 ] - [ 0.0000271100000000, -0.0000136900000000, -0.0000421900000000 ] - [ 0.0000475700000000, -0.0000072800000000, -0.0000117300000000 ] - [ -0.0000234900000000, 0.0001342600000000, -0.0000270800000000 ] - [ -0.0001010100000000, 0.0001525800000000, 0.0001423800000000 ] - [ -0.0000393500000000, -0.0001383700000000, 0.0000160000000000 ] - [ -0.0000289500000000, 0.0000220300000000, -0.0000106800000000 ] - [ -0.0000746600000000, -0.0000096600000000, -0.0000376900000000 ] - [ 0.0023485600000000, -0.0005182200000000, -0.0029339500000000 ] - [ 0.0000732100000000, -0.0000346400000000, -0.0001192200000000 ] - [ 0.0000931800000000, -0.0000068900000000, -0.0002965100000000 ] - [ -0.0001052000000000, -0.0063206000000000, 0.0000564000000000 ] - [ -0.0024654500000000, -0.0005119100000000, 0.0030026400000000 ] - [ -0.0000470400000000, 0.0049165400000000, 0.0000076700000000 ] - [ -0.0002062800000000, -0.0000060800000000, 0.0002700900000000 ] - [ 0.0001833500000000, 0.0064641000000000, -0.0001144600000000 ] - [ -0.0012391500000000, -0.0006309500000000, -0.0009188900000000 ] - [ -0.0000258500000000, -0.0000374500000000, -0.0000410000000000 ] - [ 0.0006171200000000, 0.0003725500000000, 0.0002550900000000 ] - [ 0.0000589500000000, -0.0003450800000000, 0.0000208100000000 ] - [ 0.0020239900000000, -0.0004889500000000, -0.0033748300000000 ] - [ -0.0000229900000000, -0.0064226700000000, 0.0000767200000000 ] - [ -0.0266326200000000, 0.0631369700000000, -0.0190975800000000 ] - [ -0.0000830600000000, -0.0002357800000000, 0.0000187400000000 ] - [ -0.0000404900000000, 0.0000036600000000, 0.0000006200000000 ] - [ -0.0000858000000000, 0.0064026700000000, 0.0001549200000000 ] - [ 0.0006134000000000, 0.0003317700000000, 0.0008287000000000 ] - [ 0.0001299800000000, -0.0000010200000000, -0.0000309900000000 ] - [ -0.0000040300000000, -0.0000103200000000, -0.0000412100000000 ] - [ 0.0000100200000000, -0.0000666200000000, 0.0000411800000000 ] - [ -0.0005417000000000, 0.0003487300000000, -0.0006270200000000 ] - [ 0.0000431200000000, 0.0000018400000000, 0.0000107800000000 ] - [ 0.0000193400000000, 0.0000161500000000, 0.0000016200000000 ] - [ 0.0000262700000000, 0.0000791300000000, 0.0000192500000000 ] - [ 0.0001092700000000, 0.0000565000000000, -0.0000173400000000 ] - [ -0.0000181300000000, 0.0000013200000000, 0.0001242200000000 ] - [ 0.0000194000000000, -0.0000160900000000, 0.0000010200000000 ] - [ 0.0001606900000000, -0.0000003300000000, -0.0000397000000000 ] - [ 0.0001071200000000, -0.0000543500000000, -0.0000293700000000 ] - [ -0.0000107600000000, -0.0000020200000000, 0.0001120100000000 ] - [ 0.0000197900000000, -0.0000003200000000, -0.0000071700000000 ] - [ 0.0000497500000000, 0.0000251000000000, 0.0000244600000000 ] - [ 0.0000500800000000, -0.0000248800000000, 0.0000322600000000 ] - [ -0.0000110600000000, 0.0001315700000000, -0.0000256600000000 ] - [ -0.0000991400000000, 0.0000105600000000, 0.0001429000000000 ] - [ -0.0000280200000000, -0.0001359200000000, 0.0000174900000000 ] - [ -0.0000287600000000, 0.0000270600000000, -0.0000101700000000 ] - [ -0.0000773700000000, -0.0001787100000000, -0.0000377300000000 ] - [ -0.0001275300000000, 0.0000070200000000, -0.0000445000000000 ] - [ 0.0000735800000000, -0.0000503400000000, -0.0001185100000000 ] - [ -0.0002058200000000, -0.0000718600000000, -0.0002461400000000 ] - [ -0.0001539000000000, 0.0048973200000000, 0.0000772800000000 ] - [ 0.0000046800000000, 0.0000284400000000, 0.0001339400000000 ] - [ -0.0000392200000000, -0.0003192300000000, 0.0000036400000000 ] - [ 0.0000930800000000, -0.0000726400000000, 0.0002248300000000 ] - [ -0.0000161200000000, -0.0058364000000000, -0.0000380300000000 ] - [ -0.0020585200000000, -0.0005994600000000, 0.0032527600000000 ] - [ -0.0000232400000000, -0.0059339200000000, -0.0000346400000000 ] - [ 0.0286857500000000, 0.0665453800000000, 0.0205840700000000 ] - [ 0.0000627800000000, 0.0002911400000000, 0.0000139300000000 ] - [ 0.0012215600000000, -0.0004792100000000, 0.0007827900000000 ] - [ -0.0000185600000000, 0.0004231800000000, 0.0000247700000000 ] - [ -0.0006000000000000, 0.0001658500000000, -0.0002225400000000 ] - [ -0.0000766700000000, -0.0000082700000000, 0.0000118200000000 ] - [ -0.0000492700000000, 0.0000141200000000, -0.0000262600000000 ] - [ -0.0000784900000000, -0.0003871400000000, -0.0000814600000000 ] - [ -0.0001761600000000, -0.0000034500000000, 0.0003443300000000 ] - [ 0.0001299100000000, 0.0000012600000000, -0.0000309900000000 ] - [ -0.0000124200000000, -0.0000201800000000, -0.0000679500000000 ] - [ 0.0000093900000000, -0.0000121800000000, 0.0000414700000000 ] - [ 0.0002478600000000, -0.0000028200000000, -0.0001379600000000 ] - [ 0.0000431700000000, -0.0000005700000000, 0.0000106900000000 ] - [ 0.0000192000000000, 0.0000163100000000, 0.0000013100000000 ] - [ 0.0000268000000000, 0.0000152900000000, 0.0000193100000000 ] - [ 0.0001141900000000, 0.0000583000000000, -0.0000130000000000 ] - [ -0.0000180400000000, 0.0000015500000000, 0.0001240600000000 ] - [ 0.0000195300000000, -0.0000160000000000, 0.0000014000000000 ] - [ 0.0001606600000000, 0.0000006000000000, -0.0000396500000000 ] - [ 0.0001121800000000, -0.0000559200000000, -0.0000249900000000 ] - [ -0.0000109300000000, -0.0000014100000000, 0.0001120700000000 ] - [ 0.0000197300000000, 0.0000006100000000, -0.0000072500000000 ] - [ 0.0000500600000000, 0.0000251300000000, 0.0000258400000000 ] - [ 0.0000489800000000, -0.0000249900000000, 0.0000309700000000 ]- atom: 34 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0000478400000000, 0.0000000000000000, 0.0014389900000000 ] - [ 0.0000451200000000, 0.0000000000000000, 0.0016449100000000 ] - [ -0.0020894600000000, 0.0000000000000000, 0.0022827100000000 ] - [ -0.0017925100000000, 0.0000000000000000, 0.0024727000000000 ] - [ 0.0094404900000000, 0.0000000000000000, 0.0066277200000000 ] - [ 0.0016705900000000, 0.0000000000000000, -0.0080167300000000 ] - [ 0.0004204400000000, 0.0000000000000000, 0.0013355500000000 ] - [ 0.0000481600000000, 0.0000000000000000, 0.0031282500000000 ] - [ 0.0000162100000000, 0.0000000000000000, 0.0014012300000000 ] - [ 0.0002119000000000, 0.0000000000000000, 0.0016741300000000 ] - [ 0.0000202300000000, 0.0000000000000000, 0.0014066200000000 ] - [ -0.0004233400000000, 0.0000000000000000, 0.0012737000000000 ] - [ 0.0006428400000000, 0.0000000000000000, -0.0014638000000000 ] - [ 0.0019506600000000, 0.0000000000000000, 0.0017954100000000 ] - [ -0.0016550700000000, 0.0000000000000000, -0.0003345900000000 ] - [ 0.0007470300000000, 0.0000000000000000, -0.0145546500000000 ] - [ -0.0001975800000000, 0.0000000000000000, 0.0015983000000000 ] - [ 0.0001869800000000, 0.0000000000000000, 0.0008260600000000 ] - [ -0.0000035800000000, 0.0000000000000000, 0.0013894000000000 ] - [ 0.0001403400000000, 0.0000000000000000, 0.0015887100000000 ] - [ -0.0001373300000000, 0.0000000000000000, 0.0021923000000000 ] - [ 0.0001337100000000, 0.0000000000000000, 0.0025958400000000 ] - [ -0.0002197700000000, -0.0002139800000000, 0.0026134000000000 ] - [ -0.0013195500000000, 0.0000000000000000, 0.0119682600000000 ] - [ -0.0002197700000000, 0.0002139800000000, 0.0026134000000000 ] - [ 0.0109645700000000, -0.0043883400000000, 0.0019291300000000 ] - [ 0.0025445900000000, 0.0000000000000000, 0.0023392500000000 ] - [ 0.0048610000000000, 0.0000000000000000, -0.0104681600000000 ] - [ -0.0070030500000000, -0.0029886400000000, -0.0017249100000000 ] - [ -0.0008561700000000, 0.0000000000000000, 0.0023981400000000 ] - [ -0.0010462400000000, 0.0000000000000000, 0.0011821300000000 ] - [ 0.0018608300000000, -0.0001056200000000, -0.0014752200000000 ] - [ -0.0084208800000000, 0.0120030600000000, 0.0111182900000000 ] - [ -0.0262806900000000, 0.0000000000000000, -0.1586527800000000 ] - [ 0.0002258900000000, -0.0002727900000000, 0.0025683200000000 ] - [ -0.0001176700000000, 0.0000000000000000, 0.0024473000000000 ] - [ 0.0002258900000000, 0.0002727900000000, 0.0025683200000000 ] - [ 0.0000605200000000, -0.0000882200000000, 0.0021688200000000 ] - [ 0.0001018200000000, 0.0000923900000000, 0.0022368300000000 ] - [ -0.0001897200000000, 0.0000000000000000, 0.0023641500000000 ] - [ 0.0001537000000000, 0.0000000000000000, 0.0023283300000000 ] - [ 0.0002110800000000, 0.0000000000000000, 0.0024015400000000 ] - [ 0.0005821400000000, -0.0000239000000000, 0.0019628200000000 ] - [ 0.0001829700000000, 0.0000000000000000, 0.0008054600000000 ] - [ 0.0005821400000000, 0.0000239000000000, 0.0019628200000000 ] - [ -0.0070030500000000, 0.0029886400000000, -0.0017249100000000 ] - [ -0.0030045200000000, 0.0000000000000000, 0.0014878000000000 ] - [ -0.0046141200000000, 0.0000000000000000, -0.0107669300000000 ] - [ 0.0109645700000000, 0.0043883400000000, 0.0019291300000000 ] - [ 0.0007713800000000, 0.0000000000000000, 0.0013964700000000 ] - [ 0.0003713600000000, 0.0000000000000000, 0.0026377500000000 ] - [ -0.0084208800000000, -0.0120030600000000, 0.0111182900000000 ] - [ 0.0018608300000000, 0.0001056200000000, -0.0014752200000000 ] - [ 0.0013853000000000, 0.0000000000000000, -0.0073834800000000 ] - [ 0.0000331400000000, -0.0001895400000000, 0.0019312900000000 ] - [ -0.0000910900000000, 0.0000000000000000, 0.0022817700000000 ] - [ 0.0000331400000000, 0.0001895400000000, 0.0019312900000000 ] - [ 0.0001018200000000, -0.0000923900000000, 0.0022368300000000 ] - [ 0.0000605200000000, 0.0000882200000000, 0.0021688200000000 ] - [ 0.0001277100000000, 0.0000000000000000, 0.0022949400000000 ] - [ -0.0002552500000000, 0.0002357500000000, -0.0016608600000000 ] - [ 0.0001110900000000, 0.0000000000000000, -0.0030655500000000 ] - [ -0.0000823500000000, -0.0001649300000000, -0.0013573400000000 ] - [ 0.0003216300000000, 0.0000000000000000, -0.0016767000000000 ] - [ -0.0001352400000000, 0.0000000000000000, -0.0009164400000000 ] - [ 0.0031005200000000, -0.0019270200000000, -0.0026364500000000 ] - [ 0.0002291200000000, 0.0000000000000000, -0.0016986600000000 ] - [ 0.0004697100000000, 0.0000256900000000, -0.0012618500000000 ] - [ 0.0023460200000000, 0.0000000000000000, 0.0069770800000000 ] - [ 0.0031005200000000, 0.0019270200000000, -0.0026364500000000 ] - [ -0.0041283500000000, 0.0000000000000000, -0.0037436300000000 ] - [ 0.0004697100000000, -0.0000256900000000, -0.0012618500000000 ] - [ -0.0085428100000000, 0.0000000000000000, 0.0123311800000000 ] - [ -0.0048069600000000, -0.0018403500000000, 0.0022627500000000 ] - [ 0.0009706500000000, 0.0000000000000000, 0.0007204400000000 ] - [ 0.0006960500000000, 0.0008358500000000, 0.0031810800000000 ] - [ 0.0012617400000000, 0.0000000000000000, -0.0007981300000000 ] - [ 0.0053455900000000, -0.0018109900000000, 0.0047540000000000 ] - [ 0.0002719100000000, 0.0000000000000000, 0.0045129900000000 ] - [ 0.0131486000000000, -0.0275226100000000, 0.0196766200000000 ] - [ -0.0016154400000000, 0.0000000000000000, 0.0001206300000000 ] - [ -0.0000002200000000, 0.0000231800000000, -0.0017682300000000 ] - [ 0.0083405500000000, 0.0000000000000000, 0.0861806800000000 ] - [ -0.0025317600000000, -0.0023508500000000, -0.0042962500000000 ] - [ 0.0002321500000000, 0.0000000000000000, -0.0020844000000000 ] - [ -0.0002892100000000, -0.0001106900000000, -0.0009558100000000 ] - [ -0.0002491300000000, 0.0000000000000000, -0.0016010400000000 ] - [ -0.0025317600000000, 0.0023508500000000, -0.0042962500000000 ] - [ 0.0003548100000000, 0.0000000000000000, -0.0015550100000000 ] - [ -0.0001692600000000, 0.0001636400000000, -0.0014007200000000 ] - [ -0.0003012600000000, 0.0000000000000000, -0.0026478000000000 ] - [ 0.0000517200000000, -0.0000956300000000, -0.0013523700000000 ] - [ 0.0000264300000000, 0.0000000000000000, -0.0017600800000000 ] - [ -0.0001692600000000, -0.0001636400000000, -0.0014007200000000 ] - [ 0.0003777700000000, 0.0000000000000000, -0.0014562900000000 ] - [ -0.0002198200000000, 0.0001474400000000, -0.0014642700000000 ] - [ 0.0000565000000000, 0.0000000000000000, -0.0013273500000000 ] - [ 0.0001360000000000, 0.0000000000000000, -0.0019462500000000 ] - [ -0.0000767000000000, 0.0000271300000000, -0.0013817600000000 ] - [ -0.0000767000000000, -0.0000271300000000, -0.0013817600000000 ] - [ -0.0000823500000000, 0.0001649300000000, -0.0013573400000000 ] - [ -0.0001414400000000, 0.0000000000000000, -0.0010623000000000 ] - [ -0.0002552500000000, -0.0002357500000000, -0.0016608600000000 ] - [ -0.0000423500000000, 0.0000000000000000, -0.0015277000000000 ] - [ 0.0000327600000000, 0.0000000000000000, -0.0019508400000000 ] - [ -0.0012308200000000, 0.0002101400000000, 0.0001974700000000 ] - [ -0.0000311000000000, 0.0000000000000000, -0.0016624700000000 ] - [ -0.0007387300000000, 0.0000741100000000, -0.0016180200000000 ] - [ -0.0043347100000000, 0.0000000000000000, 0.0058954900000000 ] - [ -0.0012308200000000, -0.0002101400000000, 0.0001974700000000 ] - [ 0.0011330800000000, 0.0000000000000000, 0.0006155600000000 ] - [ -0.0007387300000000, -0.0000741100000000, -0.0016180200000000 ] - [ -0.0046657200000000, 0.0000000000000000, 0.0038919800000000 ] - [ 0.0053455900000000, 0.0018109900000000, 0.0047540000000000 ] - [ -0.0013938300000000, 0.0000000000000000, -0.0014885800000000 ] - [ 0.0131486000000000, 0.0275226100000000, 0.0196766200000000 ] - [ -0.0011272300000000, 0.0000000000000000, -0.0002534500000000 ] - [ -0.0048069600000000, 0.0018403500000000, 0.0022627500000000 ] - [ -0.0007110100000000, 0.0000000000000000, 0.0029862400000000 ] - [ 0.0006960500000000, -0.0008358500000000, 0.0031810800000000 ] - [ 0.0044868900000000, 0.0000000000000000, -0.0047913900000000 ] - [ -0.0002892100000000, 0.0001106900000000, -0.0009558100000000 ] - [ -0.0005315800000000, 0.0000000000000000, 0.0041589600000000 ] - [ 0.0008724900000000, 0.0002747500000000, 0.0003674900000000 ] - [ 0.0002014300000000, 0.0000000000000000, -0.0017919400000000 ] - [ -0.0000002200000000, -0.0000231800000000, -0.0017682300000000 ] - [ 0.0005611200000000, 0.0000000000000000, -0.0010426400000000 ] - [ 0.0008724900000000, -0.0002747500000000, 0.0003674900000000 ] - [ 0.0002944000000000, 0.0000000000000000, -0.0013117200000000 ] - [ -0.0001253200000000, 0.0001466300000000, -0.0013277200000000 ] - [ 0.0005870700000000, 0.0000000000000000, -0.0018179200000000 ] - [ -0.0002198200000000, -0.0001474400000000, -0.0014642700000000 ] - [ 0.0000824100000000, 0.0000000000000000, -0.0016773600000000 ] - [ -0.0001253200000000, -0.0001466300000000, -0.0013277200000000 ] - [ 0.0004417300000000, 0.0000000000000000, -0.0014517500000000 ] - [ 0.0000517200000000, 0.0000956300000000, -0.0013523700000000 ] - [ 0.0000032400000000, 0.0000000000000000, -0.0013972900000000 ] - [ 0.0000946000000000, 0.0000000000000000, -0.0019750900000000 ] - [ -0.0000541000000000, 0.0000284600000000, -0.0014245700000000 ] - [ -0.0000541000000000, -0.0000284600000000, -0.0014245700000000 ]- atom: 34 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0001188400000000, 0.0000000000000000, -0.0015985900000000 ] - [ -0.0001984200000000, 0.0000000000000000, -0.0016743800000000 ] - [ 0.0019989500000000, 0.0000000000000000, -0.0023573800000000 ] - [ 0.0015763900000000, 0.0000000000000000, -0.0023691300000000 ] - [ -0.0094797700000000, 0.0000000000000000, -0.0067483000000000 ] - [ -0.0015950700000000, 0.0000000000000000, 0.0080602600000000 ] - [ -0.0003806300000000, 0.0000000000000000, -0.0012942300000000 ] - [ -0.0000404500000000, 0.0000000000000000, -0.0031897100000000 ] - [ -0.0000696700000000, 0.0000000000000000, -0.0014798200000000 ] - [ 0.0000317500000000, 0.0000000000000000, -0.0017218900000000 ] - [ 0.0000511700000000, 0.0000000000000000, -0.0015669200000000 ] - [ 0.0002654900000000, 0.0000000000000000, -0.0013042200000000 ] - [ -0.0007467600000000, 0.0000000000000000, 0.0014347500000000 ] - [ -0.0021364500000000, 0.0000000000000000, -0.0016961100000000 ] - [ 0.0016499000000000, 0.0000000000000000, 0.0003031300000000 ] - [ -0.0006879300000000, 0.0000000000000000, 0.0146057200000000 ] - [ 0.0002391000000000, 0.0000000000000000, -0.0015574900000000 ] - [ -0.0001830200000000, 0.0000000000000000, -0.0008852800000000 ] - [ -0.0000505900000000, 0.0000000000000000, -0.0014682200000000 ] - [ 0.0001026000000000, 0.0000000000000000, -0.0016359100000000 ] - [ 0.0002757900000000, 0.0000000000000000, -0.0022295700000000 ] - [ 0.0000202000000000, 0.0000000000000000, -0.0026299200000000 ] - [ 0.0002549200000000, -0.0000751800000000, -0.0026274000000000 ] - [ 0.0009972300000000, 0.0000000000000000, -0.0117339800000000 ] - [ 0.0002549200000000, 0.0000751800000000, -0.0026274000000000 ] - [ -0.0110019800000000, 0.0045083800000000, -0.0019955100000000 ] - [ -0.0025520200000000, 0.0000000000000000, -0.0023040800000000 ] - [ -0.0049457900000000, 0.0000000000000000, 0.0105992800000000 ] - [ 0.0069236700000000, 0.0028370800000000, 0.0016376700000000 ] - [ 0.0009652000000000, 0.0000000000000000, -0.0025193800000000 ] - [ 0.0006925000000000, 0.0000000000000000, -0.0011819200000000 ] - [ -0.0018305700000000, 0.0000203900000000, 0.0014495600000000 ] - [ 0.0085056000000000, -0.0119664100000000, -0.0112604700000000 ] - [ 0.0256478000000000, 0.0000000000000000, 0.1651396900000000 ] - [ 0.0000473800000000, 0.0002470800000000, -0.0026007600000000 ] - [ 0.0000401500000000, 0.0000000000000000, -0.0024596300000000 ] - [ 0.0000473800000000, -0.0002470800000000, -0.0026007600000000 ] - [ -0.0000076300000000, 0.0001257600000000, -0.0022572100000000 ] - [ -0.0000488900000000, -0.0001305300000000, -0.0023251900000000 ] - [ 0.0002798100000000, 0.0000000000000000, -0.0023896700000000 ] - [ -0.0000118700000000, 0.0000000000000000, -0.0023639400000000 ] - [ -0.0000557700000000, 0.0000000000000000, -0.0024377000000000 ] - [ -0.0005414000000000, -0.0002632800000000, -0.0019817400000000 ] - [ -0.0004857300000000, 0.0000000000000000, -0.0006772000000000 ] - [ -0.0005414000000000, 0.0002632800000000, -0.0019817400000000 ] - [ 0.0069236700000000, -0.0028370800000000, 0.0016376700000000 ] - [ 0.0029985300000000, 0.0000000000000000, -0.0014489400000000 ] - [ 0.0045149000000000, 0.0000000000000000, 0.0108725800000000 ] - [ -0.0110019800000000, -0.0045083800000000, -0.0019955100000000 ] - [ -0.0006630400000000, 0.0000000000000000, -0.0015170600000000 ] - [ -0.0007139300000000, 0.0000000000000000, -0.0026342900000000 ] - [ 0.0085056000000000, 0.0119664100000000, -0.0112604700000000 ] - [ -0.0018305700000000, -0.0000203900000000, 0.0014495600000000 ] - [ -0.0015236200000000, 0.0000000000000000, 0.0074549900000000 ] - [ 0.0002393400000000, 0.0001627200000000, -0.0019624000000000 ] - [ 0.0000130800000000, 0.0000000000000000, -0.0022940700000000 ] - [ 0.0002393400000000, -0.0001627200000000, -0.0019624000000000 ] - [ -0.0000488900000000, 0.0001305300000000, -0.0023251900000000 ] - [ -0.0000076300000000, -0.0001257600000000, -0.0022572100000000 ] - [ -0.0000373800000000, 0.0000000000000000, -0.0023199300000000 ] - [ 0.0002096700000000, 0.0000479600000000, 0.0016392500000000 ] - [ -0.0002999500000000, 0.0000000000000000, 0.0033359200000000 ] - [ 0.0000381300000000, -0.0001193700000000, 0.0013373700000000 ] - [ -0.0003727000000000, 0.0000000000000000, 0.0016505900000000 ] - [ -0.0000433100000000, 0.0000000000000000, 0.0008336800000000 ] - [ -0.0031936500000000, 0.0018892100000000, 0.0027266600000000 ] - [ -0.0000900600000000, 0.0000000000000000, 0.0014549900000000 ] - [ -0.0005822500000000, -0.0000076300000000, 0.0012348000000000 ] - [ -0.0026593700000000, 0.0000000000000000, -0.0068133300000000 ] - [ -0.0031936500000000, -0.0018892100000000, 0.0027266600000000 ] - [ 0.0039987400000000, 0.0000000000000000, 0.0037546300000000 ] - [ -0.0005822500000000, 0.0000076300000000, 0.0012348000000000 ] - [ 0.0087268800000000, 0.0000000000000000, -0.0125594900000000 ] - [ 0.0048319500000000, 0.0017259500000000, -0.0023996900000000 ] - [ -0.0010340800000000, 0.0000000000000000, -0.0008126400000000 ] - [ -0.0007014400000000, -0.0006188200000000, -0.0031562000000000 ] - [ -0.0011347900000000, 0.0000000000000000, 0.0008233400000000 ] - [ -0.0053778300000000, 0.0019467000000000, -0.0049034200000000 ] - [ -0.0003168200000000, 0.0000000000000000, -0.0044692000000000 ] - [ -0.0129862800000000, 0.0268998600000000, -0.0197844100000000 ] - [ 0.0014523700000000, 0.0000000000000000, -0.0000856800000000 ] - [ -0.0000477400000000, -0.0000029500000000, 0.0017034700000000 ] - [ -0.0086610800000000, 0.0000000000000000, -0.0919933300000000 ] - [ 0.0025904500000000, 0.0023318400000000, 0.0044984400000000 ] - [ 0.0000325800000000, 0.0000000000000000, 0.0020322100000000 ] - [ 0.0002412100000000, 0.0000908400000000, 0.0008905200000000 ] - [ 0.0002685600000000, 0.0000000000000000, 0.0016842700000000 ] - [ 0.0025904500000000, -0.0023318400000000, 0.0044984400000000 ] - [ -0.0002643900000000, 0.0000000000000000, 0.0015708500000000 ] - [ 0.0002104900000000, -0.0001339900000000, 0.0014080300000000 ] - [ 0.0003519200000000, 0.0000000000000000, 0.0026873400000000 ] - [ 0.0001626200000000, 0.0001953100000000, 0.0013036100000000 ] - [ -0.0000560400000000, 0.0000000000000000, 0.0020279900000000 ] - [ 0.0002104900000000, 0.0001339900000000, 0.0014080300000000 ] - [ -0.0000513400000000, 0.0000000000000000, 0.0013800500000000 ] - [ 0.0004335800000000, -0.0002448000000000, 0.0014151500000000 ] - [ -0.0000993600000000, 0.0000000000000000, 0.0015650900000000 ] - [ -0.0000882900000000, 0.0000000000000000, 0.0019337200000000 ] - [ 0.0001883800000000, 0.0000343100000000, 0.0014458600000000 ] - [ 0.0001883800000000, -0.0000343100000000, 0.0014458600000000 ] - [ 0.0000381300000000, 0.0001193700000000, 0.0013373700000000 ] - [ -0.0000501600000000, 0.0000000000000000, 0.0013475200000000 ] - [ 0.0002096700000000, -0.0000479600000000, 0.0016392500000000 ] - [ -0.0000128700000000, 0.0000000000000000, 0.0015033400000000 ] - [ -0.0002108500000000, 0.0000000000000000, 0.0018623000000000 ] - [ 0.0011044400000000, -0.0002288600000000, -0.0000992100000000 ] - [ 0.0001684500000000, 0.0000000000000000, 0.0014194200000000 ] - [ 0.0006177500000000, -0.0000537100000000, 0.0015892400000000 ] - [ 0.0040486100000000, 0.0000000000000000, -0.0057290600000000 ] - [ 0.0011044400000000, 0.0002288600000000, -0.0000992100000000 ] - [ -0.0012157900000000, 0.0000000000000000, -0.0005795500000000 ] - [ 0.0006177500000000, 0.0000537100000000, 0.0015892400000000 ] - [ 0.0046189400000000, 0.0000000000000000, -0.0039672600000000 ] - [ -0.0053778300000000, -0.0019467000000000, -0.0049034200000000 ] - [ 0.0013318200000000, 0.0000000000000000, 0.0014052000000000 ] - [ -0.0129862800000000, -0.0268998600000000, -0.0197844100000000 ] - [ 0.0012614700000000, 0.0000000000000000, 0.0002806800000000 ] - [ 0.0048319500000000, -0.0017259500000000, -0.0023996900000000 ] - [ 0.0006829100000000, 0.0000000000000000, -0.0029381100000000 ] - [ -0.0007014400000000, 0.0006188200000000, -0.0031562000000000 ] - [ -0.0046469400000000, 0.0000000000000000, 0.0048213100000000 ] - [ 0.0002412100000000, -0.0000908400000000, 0.0008905200000000 ] - [ 0.0003701100000000, 0.0000000000000000, -0.0043374600000000 ] - [ -0.0008059300000000, -0.0002783000000000, -0.0001676000000000 ] - [ 0.0000623800000000, 0.0000000000000000, 0.0017382300000000 ] - [ -0.0000477400000000, 0.0000029500000000, 0.0017034700000000 ] - [ -0.0005426800000000, 0.0000000000000000, 0.0011249300000000 ] - [ -0.0008059300000000, 0.0002783000000000, -0.0001676000000000 ] - [ -0.0002013600000000, 0.0000000000000000, 0.0013278400000000 ] - [ 0.0001665100000000, -0.0001184500000000, 0.0013348900000000 ] - [ -0.0005375900000000, 0.0000000000000000, 0.0018528400000000 ] - [ 0.0004335800000000, 0.0002448000000000, 0.0014151500000000 ] - [ -0.0001115900000000, 0.0000000000000000, 0.0019475200000000 ] - [ 0.0001665100000000, 0.0001184500000000, 0.0013348900000000 ] - [ -0.0001142400000000, 0.0000000000000000, 0.0013754200000000 ] - [ 0.0001626200000000, -0.0001953100000000, 0.0013036100000000 ] - [ -0.0000470400000000, 0.0000000000000000, 0.0016347700000000 ] - [ -0.0000464600000000, 0.0000000000000000, 0.0019641400000000 ] - [ 0.0001654700000000, 0.0000327600000000, 0.0014884600000000 ] - [ 0.0001654700000000, -0.0000327600000000, 0.0014884600000000 ]- atom: 35 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0005544900000000, -0.0000475800000000, 0.0001210200000000 ] - [ -0.0001673000000000, 0.0000054900000000, 0.0000586500000000 ] - [ -0.0001454700000000, 0.0000042800000000, 0.0000481700000000 ] - [ -0.0000936800000000, 0.0000015900000000, 0.0000821100000000 ] - [ -0.0006085600000000, 0.0003744300000000, -0.0008059500000000 ] - [ 0.0001433600000000, 0.0000317200000000, -0.0002154900000000 ] - [ 0.0164787300000000, 0.0131649800000000, -0.0019383900000000 ] - [ -0.0096083700000000, 0.0072968200000000, 0.0074468400000000 ] - [ -0.0006908700000000, 0.0003696800000000, -0.0008098600000000 ] - [ -0.0094546900000000, 0.0074108100000000, 0.0075833000000000 ] - [ -0.0004018800000000, -0.0000536600000000, -0.0002371700000000 ] - [ 0.0000301200000000, 0.0000044700000000, -0.0000301900000000 ] - [ 0.0000525700000000, 0.0000034600000000, -0.0000009100000000 ] - [ -0.0001020400000000, 0.0000016800000000, 0.0000864500000000 ] - [ 0.0014357300000000, 0.0000846700000000, 0.0005109000000000 ] - [ -0.0001414900000000, 0.0000331000000000, 0.0003625700000000 ] - [ 0.0168359400000000, 0.0135001500000000, -0.0018916200000000 ] - [ 0.0031462800000000, 0.0007591300000000, -0.0010277300000000 ] - [ 0.0014944200000000, 0.0000850300000000, 0.0004724000000000 ] - [ 0.0032826900000000, 0.0007830300000000, -0.0010309200000000 ] - [ 0.0003509100000000, -0.0000067200000000, -0.0001746500000000 ] - [ -0.0001437200000000, 0.0000590700000000, 0.0006923300000000 ] - [ 0.0000274900000000, -0.0001498600000000, 0.0001430300000000 ] - [ -0.0002138700000000, -0.0000012300000000, 0.0001478200000000 ] - [ 0.0000370900000000, 0.0001499600000000, 0.0001556100000000 ] - [ -0.0000596100000000, 0.0000563800000000, 0.0001404500000000 ] - [ -0.0033624900000000, -0.0008052100000000, -0.0080385800000000 ] - [ -0.0006421100000000, -0.0000982000000000, -0.0002524900000000 ] - [ -0.0000320200000000, -0.0000963900000000, -0.0000446700000000 ] - [ 0.0113002800000000, -0.0128139900000000, 0.0093766100000000 ] - [ -0.0001107100000000, -0.0000016000000000, 0.0000267100000000 ] - [ 0.0012008000000000, -0.0000144000000000, -0.0012423800000000 ] - [ -0.0018484300000000, 0.0005803000000000, 0.0024486700000000 ] - [ -0.0003018800000000, -0.0000139600000000, 0.0001560000000000 ] - [ -0.1705656500000000, -0.0249474100000000, -0.0166531200000000 ] - [ -0.0033685400000000, -0.0008074400000000, -0.0079952500000000 ] - [ -0.0243313300000000, -0.0014446700000000, 0.0104672400000000 ] - [ 0.0011908800000000, 0.0001099000000000, -0.0012219400000000 ] - [ -0.0018287100000000, 0.0006060500000000, 0.0023588300000000 ] - [ 0.0091645500000000, -0.0051524000000000, -0.0083803400000000 ] - [ -0.0002272100000000, -0.0000178800000000, 0.0001474700000000 ] - [ 0.0001899600000000, 0.0000490300000000, -0.0004285700000000 ] - [ -0.0000174800000000, -0.0001642000000000, -0.0000630100000000 ] - [ -0.0000955400000000, -0.0000017500000000, 0.0000828000000000 ] - [ -0.0000096800000000, 0.0001643800000000, -0.0000539100000000 ] - [ -0.0000379100000000, 0.0000964100000000, -0.0000510900000000 ] - [ 0.0034899700000000, 0.0004107500000000, 0.0013868700000000 ] - [ 0.0007279300000000, -0.0000773500000000, 0.0003727100000000 ] - [ -0.0000519600000000, -0.0000566800000000, 0.0001500400000000 ] - [ 0.0091824900000000, -0.0050300100000000, -0.0083802900000000 ] - [ -0.0002359200000000, -0.0000014300000000, 0.0000894800000000 ] - [ -0.0025787500000000, -0.0006049400000000, 0.0012874500000000 ] - [ 0.0013416600000000, 0.0000115000000000, -0.0010915200000000 ] - [ 0.0001732100000000, -0.0000037000000000, -0.0001057600000000 ] - [ 0.0062611200000000, -0.0009598200000000, -0.0012745000000000 ] - [ 0.0034501800000000, 0.0003944500000000, 0.0013519700000000 ] - [ 0.0099148100000000, 0.0008717600000000, 0.0002453700000000 ] - [ -0.0025602700000000, -0.0006304900000000, 0.0012057400000000 ] - [ 0.0013276900000000, -0.0001128500000000, -0.0010733400000000 ] - [ 0.0113007000000000, -0.0128281700000000, 0.0093895200000000 ] - [ 0.0000674400000000, 0.0000857500000000, -0.0001366200000000 ] - [ -0.0000832000000000, -0.0000015700000000, 0.0000556500000000 ] - [ -0.0000813200000000, -0.0001508300000000, 0.0000843600000000 ] - [ -0.0002306300000000, -0.0000098400000000, -0.0001791700000000 ] - [ -0.0000882700000000, 0.0000008400000000, -0.0000369600000000 ] - [ -0.0000325600000000, -0.0000096400000000, 0.0000226200000000 ] - [ -0.0000293500000000, 0.0000081600000000, -0.0002733300000000 ] - [ -0.0001035200000000, -0.0000066300000000, -0.0000545800000000 ] - [ -0.0000584400000000, 0.0000045300000000, 0.0001673200000000 ] - [ -0.0000332100000000, 0.0000098900000000, 0.0000229700000000 ] - [ -0.0000009200000000, 0.0000011100000000, -0.0000608900000000 ] - [ -0.0001031100000000, 0.0000067100000000, -0.0000584800000000 ] - [ 0.0000694900000000, -0.0000043600000000, 0.0000238300000000 ] - [ 0.0003621500000000, -0.0001503100000000, 0.0003413000000000 ] - [ -0.0000385000000000, -0.0000003900000000, -0.0000501100000000 ] - [ -0.0000505200000000, 0.0001126900000000, 0.0000773600000000 ] - [ -0.0002584900000000, 0.0012850300000000, -0.0050032400000000 ] - [ -0.0004440900000000, -0.0001329800000000, -0.0007578100000000 ] - [ 0.0008110200000000, 0.0000958700000000, -0.0002824500000000 ] - [ 0.0000946800000000, -0.0001236000000000, -0.0000815300000000 ] - [ -0.0012731500000000, -0.0000266600000000, 0.0019832900000000 ] - [ 0.0411927900000000, 0.0053843300000000, 0.0223954500000000 ] - [ 0.0005438700000000, -0.0001188100000000, -0.0000424500000000 ] - [ 0.0039323000000000, 0.0004996200000000, 0.0000416600000000 ] - [ 0.0197598900000000, 0.0145555800000000, -0.0091883000000000 ] - [ -0.0068814000000000, -0.0004678200000000, 0.0023328400000000 ] - [ 0.0162613100000000, -0.0098441000000000, -0.0088676800000000 ] - [ 0.0031704800000000, -0.0007480000000000, 0.0024524100000000 ] - [ 0.0164274100000000, -0.0105468600000000, -0.0093728000000000 ] - [ 0.0031943600000000, -0.0007206200000000, 0.0023387700000000 ] - [ 0.0194639000000000, 0.0139530900000000, -0.0087050900000000 ] - [ -0.0068637600000000, -0.0003804300000000, 0.0023543400000000 ] - [ 0.0006059500000000, -0.0001084700000000, 0.0001421900000000 ] - [ 0.0039676000000000, 0.0004383300000000, -0.0000752000000000 ] - [ -0.0000010200000000, -0.0011980300000000, -0.0030900100000000 ] - [ 0.0406149100000000, 0.0052544400000000, 0.0213384900000000 ] - [ -0.0005619900000000, 0.0000015600000000, 0.0004215800000000 ] - [ -0.0005925400000000, 0.0000346000000000, 0.0024248500000000 ] - [ 0.0002801900000000, 0.0000574500000000, 0.0006314600000000 ] - [ 0.0003918000000000, -0.0000922600000000, 0.0004798100000000 ] - [ -0.0000921500000000, 0.0001554400000000, 0.0001058200000000 ] - [ -0.0001122800000000, -0.0000009700000000, 0.0001394300000000 ] - [ 0.0000690200000000, -0.0000875500000000, -0.0001648100000000 ] - [ 0.0001230500000000, -0.0000045200000000, 0.0000746400000000 ] - [ -0.0000427000000000, 0.0000011600000000, -0.0001105300000000 ] - [ -0.0001047100000000, 0.0000050100000000, -0.0000063500000000 ] - [ 0.0001747200000000, 0.0000037100000000, -0.0000763200000000 ] - [ -0.0000189400000000, -0.0000044100000000, -0.0000387800000000 ] - [ -0.0002446700000000, 0.0000106700000000, -0.0001688900000000 ] - [ -0.0001049400000000, -0.0000044600000000, -0.0000045500000000 ] - [ -0.0000685200000000, 0.0000004500000000, 0.0000134100000000 ] - [ -0.0000178900000000, 0.0000043100000000, -0.0000418000000000 ] - [ -0.0001470600000000, -0.0000099600000000, -0.0001591100000000 ] - [ -0.0005426600000000, 0.0001759400000000, -0.0009598800000000 ] - [ 0.0000002400000000, -0.0000010900000000, -0.0001201700000000 ] - [ 0.0000945600000000, 0.0001191700000000, -0.0001017700000000 ] - [ -0.0005770700000000, 0.0000292300000000, 0.0024901500000000 ] - [ 0.0002499600000000, 0.0001515400000000, 0.0004942800000000 ] - [ -0.0006791800000000, 0.0000072700000000, 0.0003712700000000 ] - [ -0.0000580200000000, -0.0001134300000000, 0.0000905000000000 ] - [ -0.0002785600000000, -0.0011741700000000, -0.0030334300000000 ] - [ -0.0036134900000000, 0.0004581400000000, 0.0003572700000000 ] - [ -0.0005915500000000, -0.0000079400000000, 0.0002069700000000 ] - [ -0.0015439200000000, -0.0001643200000000, -0.0001136600000000 ] - [ -0.0044712100000000, -0.0009218200000000, -0.0001879000000000 ] - [ 0.0036249900000000, 0.0004319000000000, -0.0020836200000000 ] - [ -0.0065730900000000, 0.0010322400000000, 0.0007623700000000 ] - [ -0.0017357900000000, 0.0001170200000000, 0.0001392700000000 ] - [ -0.0066148900000000, 0.0010249100000000, 0.0007552100000000 ] - [ -0.0017845000000000, 0.0001282400000000, 0.0000348600000000 ] - [ -0.0045613300000000, -0.0009314200000000, -0.0001459200000000 ] - [ 0.0037648700000000, 0.0005674600000000, -0.0020345300000000 ] - [ -0.0005293000000000, -0.0000076000000000, 0.0004105200000000 ] - [ -0.0015886300000000, -0.0001799100000000, -0.0002257200000000 ] - [ -0.0010201800000000, -0.0000375100000000, 0.0019068300000000 ] - [ -0.0034661400000000, 0.0003728600000000, 0.0003652800000000 ] - [ 0.0007586900000000, 0.0000858600000000, -0.0001810400000000 ] - [ -0.0003581500000000, 0.0012897700000000, -0.0049924000000000 ] - [ -0.0003427100000000, -0.0001262900000000, -0.0007219100000000 ] - [ -0.0004253800000000, 0.0001271800000000, -0.0009423400000000 ]- atom: 35 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0004890400000000, 0.0000404200000000, -0.0002766700000000 ] - [ 0.0000127300000000, -0.0000043000000000, -0.0000916400000000 ] - [ 0.0000268200000000, -0.0000035500000000, -0.0000666100000000 ] - [ -0.0001046300000000, -0.0000009100000000, 0.0000051800000000 ] - [ 0.0005977700000000, -0.0003733600000000, 0.0007714600000000 ] - [ -0.0000711400000000, -0.0000310100000000, 0.0002111400000000 ] - [ -0.0166222700000000, -0.0133683700000000, 0.0019769600000000 ] - [ 0.0095525000000000, -0.0073024000000000, -0.0075069500000000 ] - [ 0.0006406500000000, -0.0003716700000000, 0.0007398900000000 ] - [ 0.0097573000000000, -0.0074068000000000, -0.0076233600000000 ] - [ 0.0004657000000000, 0.0000462900000000, 0.0000834500000000 ] - [ -0.0001848800000000, -0.0000037000000000, -0.0000036500000000 ] - [ -0.0001699800000000, -0.0000030500000000, -0.0000173600000000 ] - [ -0.0000964100000000, -0.0000008800000000, 0.0000008700000000 ] - [ -0.0014498500000000, -0.0000846300000000, -0.0005369700000000 ] - [ 0.0002103300000000, -0.0000325800000000, -0.0003681500000000 ] - [ -0.0166006000000000, -0.0132931400000000, 0.0019295700000000 ] - [ -0.0031415500000000, -0.0007721600000000, 0.0009893000000000 ] - [ -0.0015400300000000, -0.0000857900000000, -0.0005500600000000 ] - [ -0.0030393900000000, -0.0007689200000000, 0.0009681600000000 ] - [ -0.0002325500000000, 0.0000071100000000, 0.0001411000000000 ] - [ 0.0003108100000000, -0.0000585400000000, -0.0006924000000000 ] - [ 0.0000044900000000, -0.0001578000000000, -0.0001739200000000 ] - [ -0.0000980000000000, 0.0000013300000000, -0.0000263600000000 ] - [ -0.0000036500000000, 0.0001577000000000, -0.0001833800000000 ] - [ -0.0000097500000000, 0.0001240800000000, -0.0001603600000000 ] - [ 0.0033755900000000, 0.0008017700000000, 0.0080432000000000 ] - [ 0.0005552100000000, 0.0000981800000000, 0.0003061100000000 ] - [ -0.0000369200000000, -0.0000843500000000, 0.0000243400000000 ] - [ -0.0111339900000000, 0.0127635300000000, -0.0094034200000000 ] - [ -0.0002330900000000, 0.0000020800000000, -0.0000205800000000 ] - [ -0.0011497400000000, -0.0000695800000000, 0.0012242300000000 ] - [ 0.0018855300000000, -0.0004971000000000, -0.0024711500000000 ] - [ 0.0001738700000000, 0.0000144100000000, -0.0000966800000000 ] - [ 0.1709211100000000, 0.0249171400000000, 0.0166347700000000 ] - [ 0.0032768800000000, 0.0008110600000000, 0.0080217000000000 ] - [ 0.0246031900000000, 0.0014715000000000, -0.0105049300000000 ] - [ -0.0011489400000000, -0.0000887300000000, 0.0011357600000000 ] - [ 0.0018839300000000, -0.0006266100000000, -0.0024428100000000 ] - [ -0.0090817200000000, 0.0050654500000000, 0.0082754200000000 ] - [ 0.0003457300000000, 0.0000177800000000, -0.0001783400000000 ] - [ -0.0000263200000000, -0.0000485600000000, 0.0004282700000000 ] - [ 0.0000487700000000, -0.0001415400000000, 0.0000321900000000 ] - [ -0.0002154700000000, 0.0000016400000000, 0.0000385300000000 ] - [ 0.0000423300000000, 0.0001423000000000, 0.0000264200000000 ] - [ -0.0000309100000000, 0.0000846900000000, 0.0000310600000000 ] - [ -0.0035006200000000, -0.0004120500000000, -0.0013314100000000 ] - [ -0.0008167400000000, 0.0000776700000000, -0.0003161000000000 ] - [ -0.0000176900000000, -0.0001235000000000, -0.0001704100000000 ] - [ -0.0090693700000000, 0.0051161300000000, 0.0083337400000000 ] - [ -0.0001081800000000, 0.0000017800000000, -0.0000832100000000 ] - [ 0.0026148000000000, 0.0005219400000000, -0.0013094000000000 ] - [ -0.0012914000000000, 0.0000726800000000, 0.0010712500000000 ] - [ -0.0003008400000000, 0.0000040300000000, 0.0001678400000000 ] - [ -0.0059894300000000, 0.0009305300000000, 0.0012386300000000 ] - [ -0.0035180700000000, -0.0003929200000000, -0.0013761300000000 ] - [ -0.0096422700000000, -0.0008423900000000, -0.0002826300000000 ] - [ 0.0026163500000000, 0.0006514200000000, -0.0012884000000000 ] - [ -0.0012844800000000, 0.0000919100000000, 0.0009879900000000 ] - [ -0.0112717600000000, 0.0128790500000000, -0.0095138700000000 ] - [ -0.0001151900000000, 0.0001815600000000, 0.0001273200000000 ] - [ -0.0001160300000000, 0.0000017700000000, 0.0002304900000000 ] - [ 0.0000344400000000, -0.0001166000000000, -0.0000946000000000 ] - [ 0.0001673000000000, 0.0000106600000000, 0.0001596600000000 ] - [ -0.0000701700000000, -0.0000006500000000, -0.0000404200000000 ] - [ -0.0000943200000000, -0.0000104200000000, 0.0000670100000000 ] - [ 0.0001793700000000, -0.0000081600000000, 0.0000258200000000 ] - [ -0.0000055300000000, 0.0000105300000000, 0.0000320600000000 ] - [ -0.0002427000000000, -0.0000044900000000, -0.0000024500000000 ] - [ -0.0000938500000000, 0.0000103600000000, 0.0000639800000000 ] - [ -0.0000845300000000, -0.0000009700000000, 0.0000822300000000 ] - [ -0.0000058200000000, -0.0000106400000000, 0.0000341100000000 ] - [ -0.0001357700000000, 0.0000044200000000, -0.0000855400000000 ] - [ -0.0003841900000000, 0.0000303000000000, -0.0004765400000000 ] - [ -0.0000079900000000, 0.0000006300000000, -0.0000504400000000 ] - [ 0.0000687600000000, 0.0001117900000000, -0.0000416500000000 ] - [ 0.0003927700000000, -0.0012868200000000, 0.0050313800000000 ] - [ 0.0004248400000000, 0.0002516400000000, 0.0006177700000000 ] - [ -0.0008392700000000, -0.0000957500000000, 0.0003380300000000 ] - [ -0.0000758500000000, -0.0001003800000000, 0.0001160700000000 ] - [ 0.0010838900000000, 0.0000307100000000, -0.0019467700000000 ] - [ -0.0392543800000000, -0.0051453500000000, -0.0207750800000000 ] - [ -0.0007049600000000, 0.0001187800000000, -0.0001182300000000 ] - [ -0.0038477500000000, -0.0004914600000000, 0.0001708400000000 ] - [ -0.0194373900000000, -0.0141523400000000, 0.0088375300000000 ] - [ 0.0068768800000000, 0.0004302600000000, -0.0024364500000000 ] - [ -0.0161845900000000, 0.0100439300000000, 0.0091167800000000 ] - [ -0.0030869300000000, 0.0007389400000000, -0.0022373000000000 ] - [ -0.0164096800000000, 0.0103486200000000, 0.0092277900000000 ] - [ -0.0031636200000000, 0.0007684900000000, -0.0023473600000000 ] - [ -0.0194744400000000, -0.0143510000000000, 0.0090237600000000 ] - [ 0.0070370100000000, 0.0005124400000000, -0.0023625700000000 ] - [ -0.0006350900000000, 0.0001096500000000, 0.0001054100000000 ] - [ -0.0039381100000000, -0.0004846500000000, 0.0000702700000000 ] - [ 0.0003248600000000, 0.0011967000000000, 0.0030217700000000 ] - [ -0.0424528300000000, -0.0055937900000000, -0.0231030500000000 ] - [ 0.0005378400000000, -0.0000018500000000, -0.0001951000000000 ] - [ 0.0006321400000000, -0.0000317900000000, -0.0024516100000000 ] - [ -0.0001788100000000, 0.0000025900000000, -0.0005685600000000 ] - [ -0.0002916700000000, 0.0000323000000000, -0.0004196600000000 ] - [ 0.0000454300000000, 0.0001119700000000, -0.0001148600000000 ] - [ -0.0000874800000000, 0.0000007000000000, 0.0001457200000000 ] - [ -0.0001169200000000, -0.0001794600000000, 0.0001540800000000 ] - [ -0.0001846600000000, 0.0000045700000000, -0.0000948600000000 ] - [ -0.0001161100000000, -0.0000012900000000, 0.0000332800000000 ] - [ -0.0000202500000000, -0.0000266500000000, 0.0000956400000000 ] - [ -0.0000241300000000, -0.0000033100000000, -0.0001717300000000 ] - [ -0.0000902200000000, 0.0000090400000000, 0.0000161500000000 ] - [ -0.0000549600000000, -0.0000105700000000, 0.0003341900000000 ] - [ -0.0000205200000000, 0.0000263200000000, 0.0000917100000000 ] - [ -0.0000189300000000, -0.0000004000000000, 0.0000076800000000 ] - [ -0.0000911400000000, -0.0000085800000000, 0.0000175400000000 ] - [ 0.0000812800000000, 0.0000099400000000, 0.0000967600000000 ] - [ 0.0005233600000000, -0.0002944200000000, 0.0008223400000000 ] - [ -0.0000471700000000, 0.0000013500000000, 0.0000193400000000 ] - [ -0.0000757600000000, 0.0001051900000000, 0.0001384600000000 ] - [ 0.0006977700000000, -0.0000322200000000, -0.0024595200000000 ] - [ -0.0002721900000000, -0.0000319100000000, -0.0006316500000000 ] - [ 0.0006504100000000, -0.0000075200000000, -0.0003190200000000 ] - [ 0.0000761100000000, -0.0001108700000000, -0.0000571600000000 ] - [ 0.0001064400000000, 0.0011761000000000, 0.0030643000000000 ] - [ 0.0035429000000000, -0.0004196800000000, -0.0004349300000000 ] - [ 0.0004289000000000, 0.0000084800000000, -0.0003731200000000 ] - [ 0.0016165600000000, 0.0001719600000000, 0.0003129600000000 ] - [ 0.0047378800000000, 0.0009293800000000, 0.0001441100000000 ] - [ -0.0036537000000000, -0.0004739400000000, 0.0020170100000000 ] - [ 0.0066104000000000, -0.0010236700000000, -0.0006887500000000 ] - [ 0.0018120900000000, -0.0001241400000000, 0.0000541800000000 ] - [ 0.0066827000000000, -0.0010331600000000, -0.0007289400000000 ] - [ 0.0018244100000000, -0.0000844500000000, -0.0000206600000000 ] - [ 0.0046079500000000, 0.0009243300000000, 0.0001611400000000 ] - [ -0.0035676700000000, -0.0004353500000000, 0.0019888600000000 ] - [ 0.0005027300000000, 0.0000079400000000, -0.0001579900000000 ] - [ 0.0016314100000000, 0.0001362500000000, 0.0002348300000000 ] - [ 0.0013640200000000, 0.0000343400000000, -0.0019811600000000 ] - [ 0.0037074900000000, -0.0005056300000000, -0.0003998600000000 ] - [ -0.0007854600000000, -0.0000863900000000, 0.0004039100000000 ] - [ 0.0003846400000000, -0.0012880600000000, 0.0049716100000000 ] - [ 0.0004406000000000, 0.0001864800000000, 0.0007866200000000 ] - [ 0.0005223800000000, -0.0001873500000000, 0.0010038600000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000887800000000, -0.0000073700000000, -0.0001150000000000 ] - [ -0.0000502200000000, 0.0000007300000000, -0.0000936600000000 ] - [ -0.0000367800000000, 0.0000004500000000, -0.0000851400000000 ] - [ -0.0001005900000000, 0.0000003700000000, -0.0000302400000000 ] - [ 0.0009274400000000, 0.0000026900000000, 0.0003375400000000 ] - [ 0.0001260900000000, 0.0000014500000000, 0.0000011900000000 ] - [ 0.0120602200000000, 0.0025565200000000, 0.0034285000000000 ] - [ 0.0071927200000000, 0.0024814000000000, 0.0104206800000000 ] - [ 0.0009356700000000, 0.0000044700000000, 0.0003126100000000 ] - [ 0.0074045200000000, 0.0026357900000000, 0.0105388700000000 ] - [ 0.0000664700000000, -0.0000056000000000, -0.0002553400000000 ] - [ -0.0000682900000000, 0.0000006700000000, -0.0000663400000000 ] - [ -0.0000464100000000, 0.0000006000000000, -0.0000593700000000 ] - [ -0.0000997000000000, 0.0000005000000000, -0.0000290700000000 ] - [ 0.0000650500000000, 0.0000060700000000, 0.0000628200000000 ] - [ 0.0000045300000000, 0.0000024700000000, -0.0000508100000000 ] - [ 0.0122994900000000, 0.0025386300000000, 0.0034121600000000 ] - [ 0.0006195900000000, 0.0000093800000000, 0.0008200900000000 ] - [ 0.0000339500000000, 0.0000056400000000, 0.0000441400000000 ] - [ 0.0007405600000000, 0.0000073100000000, 0.0008409000000000 ] - [ 0.0000228000000000, 0.0000004000000000, -0.0001719500000000 ] - [ 0.0000374600000000, 0.0000046100000000, -0.0000882100000000 ] - [ -0.0000152300000000, -0.0001739900000000, -0.0001238900000000 ] - [ -0.0001543600000000, -0.0000001400000000, -0.0000644000000000 ] - [ -0.0000145600000000, 0.0001746400000000, -0.0001209300000000 ] - [ -0.0000691800000000, 0.0000641600000000, -0.0001165600000000 ] - [ 0.0004252500000000, 0.0004383500000000, -0.0121365600000000 ] - [ -0.0000227800000000, -0.0000019700000000, -0.0002507600000000 ] - [ -0.0000300800000000, -0.0000689500000000, -0.0001139600000000 ] - [ -0.0056106600000000, 0.0006323700000000, -0.0037749800000000 ] - [ -0.0001703600000000, 0.0000001000000000, -0.0001032800000000 ] - [ 0.0000516100000000, -0.0014856700000000, 0.0000306500000000 ] - [ -0.0005208000000000, 0.0003701100000000, -0.0002396900000000 ] - [ -0.0000548100000000, -0.0000004900000000, -0.0002340700000000 ] - [ -0.0247755200000000, -0.2006538100000000, -0.0187295600000000 ] - [ 0.0003810800000000, 0.0004090300000000, -0.0121317700000000 ] - [ 0.0015920800000000, 0.0752003500000000, 0.0010830000000000 ] - [ 0.0000292400000000, -0.0014445900000000, -0.0000107800000000 ] - [ -0.0004983300000000, 0.0003082100000000, -0.0002591100000000 ] - [ -0.0114848300000000, 0.0004514200000000, 0.0045840700000000 ] - [ 0.0000692700000000, -0.0000007400000000, -0.0002671300000000 ] - [ 0.0002232400000000, 0.0000018900000000, 0.0000492300000000 ] - [ 0.0000256400000000, -0.0001712500000000, -0.0001127600000000 ] - [ -0.0001551100000000, -0.0000000200000000, -0.0000469000000000 ] - [ 0.0000259300000000, 0.0001726200000000, -0.0001105100000000 ] - [ -0.0000302800000000, 0.0000702800000000, -0.0001141100000000 ] - [ -0.0004797800000000, 0.0000062100000000, 0.0000272700000000 ] - [ -0.0002299800000000, -0.0000052100000000, -0.0000301600000000 ] - [ -0.0000687700000000, -0.0000636000000000, -0.0001158700000000 ] - [ -0.0114408800000000, 0.0004362400000000, 0.0044764100000000 ] - [ -0.0001664000000000, -0.0000000200000000, -0.0001201500000000 ] - [ -0.0005441900000000, -0.0003690800000000, -0.0002736900000000 ] - [ 0.0000546800000000, 0.0014794800000000, 0.0000332200000000 ] - [ -0.0000862900000000, 0.0000004900000000, -0.0001442800000000 ] - [ -0.0008080200000000, -0.0006288100000000, -0.0007423600000000 ] - [ -0.0005251200000000, 0.0000130800000000, 0.0000097900000000 ] - [ -0.0007198300000000, 0.0006338600000000, -0.0007229700000000 ] - [ -0.0005268200000000, -0.0003075400000000, -0.0003030400000000 ] - [ 0.0000327700000000, 0.0014386600000000, -0.0000099800000000 ] - [ -0.0056787700000000, 0.0005097900000000, -0.0036954800000000 ] - [ 0.0000079200000000, 0.0001065800000000, 0.0000959500000000 ] - [ -0.0000999200000000, 0.0000000800000000, 0.0002546900000000 ] - [ -0.0000227400000000, -0.0001084300000000, 0.0000377900000000 ] - [ -0.0000453000000000, 0.0000000400000000, 0.0000785100000000 ] - [ -0.0000887000000000, 0.0000001400000000, 0.0000198600000000 ] - [ -0.0000562400000000, -0.0000150200000000, 0.0001132000000000 ] - [ 0.0001016600000000, 0.0000010200000000, -0.0000861900000000 ] - [ -0.0000475400000000, 0.0000033200000000, 0.0000484700000000 ] - [ -0.0001680500000000, 0.0000004400000000, 0.0001364400000000 ] - [ -0.0000563100000000, 0.0000153400000000, 0.0001120100000000 ] - [ -0.0000494700000000, 0.0000001900000000, 0.0000780600000000 ] - [ -0.0000476300000000, -0.0000029800000000, 0.0000473600000000 ] - [ -0.0000846500000000, 0.0000001100000000, 0.0000684900000000 ] - [ -0.0001603800000000, 0.0001686600000000, -0.0000677900000000 ] - [ -0.0000299300000000, 0.0000002000000000, 0.0000443900000000 ] - [ 0.0000092400000000, 0.0001374200000000, 0.0000680300000000 ] - [ 0.0001786900000000, 0.0001554700000000, -0.0006141600000000 ] - [ 0.0000640100000000, 0.0000454800000000, -0.0000413700000000 ] - [ 0.0000137900000000, -0.0000072700000000, 0.0000613300000000 ] - [ 0.0000447400000000, -0.0001434300000000, 0.0001151000000000 ] - [ -0.0024815900000000, 0.0000639900000000, 0.0021183400000000 ] - [ 0.0037914200000000, 0.0096102700000000, 0.0025974600000000 ] - [ 0.0000194800000000, -0.0000074300000000, 0.0004379500000000 ] - [ 0.0004577400000000, 0.0025083200000000, 0.0004724800000000 ] - [ 0.0161146300000000, 0.0270192700000000, -0.0171126900000000 ] - [ 0.0005239400000000, 0.0024532400000000, 0.0002227700000000 ] - [ -0.0104398200000000, 0.0267119000000000, 0.0205898500000000 ] - [ 0.0005316200000000, -0.0026346600000000, 0.0005431300000000 ] - [ -0.0101638200000000, 0.0265395000000000, 0.0199468600000000 ] - [ 0.0004812900000000, -0.0026213200000000, 0.0004202600000000 ] - [ 0.0148392000000000, 0.0254659200000000, -0.0155677900000000 ] - [ 0.0006814500000000, 0.0025515400000000, 0.0002276400000000 ] - [ 0.0000651900000000, -0.0000064200000000, 0.0006172900000000 ] - [ 0.0004284500000000, 0.0025054700000000, 0.0003399100000000 ] - [ 0.0003795200000000, 0.0000269100000000, 0.0000440800000000 ] - [ 0.0043227200000000, 0.0095923300000000, 0.0028308800000000 ] - [ 0.0001891400000000, -0.0000020400000000, -0.0002242100000000 ] - [ 0.0012259100000000, 0.0000622200000000, -0.0030412100000000 ] - [ -0.0001231000000000, -0.0002278700000000, 0.0000141700000000 ] - [ -0.0001225100000000, 0.0002298400000000, 0.0000063800000000 ] - [ -0.0000230300000000, 0.0001088600000000, 0.0000389600000000 ] - [ -0.0001076200000000, 0.0000001300000000, 0.0002355700000000 ] - [ 0.0000082400000000, -0.0001067600000000, 0.0000937700000000 ] - [ -0.0000850800000000, 0.0000001100000000, 0.0000919400000000 ] - [ -0.0000806200000000, 0.0000001500000000, 0.0000295900000000 ] - [ -0.0000542500000000, -0.0000126000000000, 0.0001040300000000 ] - [ 0.0000540500000000, 0.0000004600000000, -0.0000635800000000 ] - [ -0.0000533400000000, 0.0000047300000000, 0.0000553100000000 ] - [ -0.0001194700000000, 0.0000011400000000, 0.0000954100000000 ] - [ -0.0000542000000000, 0.0000130300000000, 0.0001029100000000 ] - [ -0.0000588700000000, 0.0000001700000000, 0.0000715300000000 ] - [ -0.0000532600000000, -0.0000043200000000, 0.0000543200000000 ] - [ -0.0000536900000000, -0.0000005600000000, 0.0000534200000000 ] - [ 0.0000574000000000, -0.0000352100000000, -0.0000530800000000 ] - [ -0.0000228200000000, 0.0000001600000000, 0.0000608500000000 ] - [ 0.0000451200000000, 0.0001432800000000, 0.0001152100000000 ] - [ 0.0012657000000000, 0.0000610600000000, -0.0030107700000000 ] - [ -0.0001603700000000, -0.0001651900000000, -0.0000640900000000 ] - [ 0.0002338400000000, -0.0000011500000000, -0.0002686900000000 ] - [ 0.0000090000000000, -0.0001371100000000, 0.0000671900000000 ] - [ 0.0001368600000000, 0.0000377900000000, 0.0001101300000000 ] - [ 0.0005975300000000, -0.0025649800000000, 0.0002419300000000 ] - [ -0.0002768400000000, -0.0000015100000000, 0.0002774000000000 ] - [ 0.0000486200000000, -0.0001847700000000, -0.0000254700000000 ] - [ 0.0003938900000000, 0.0000191700000000, 0.0000348700000000 ] - [ -0.0007079800000000, -0.0066127500000000, -0.0005955200000000 ] - [ 0.0000796300000000, 0.0001492200000000, 0.0001401900000000 ] - [ 0.0000387100000000, 0.0001878200000000, -0.0000272000000000 ] - [ 0.0001138700000000, 0.0001622400000000, 0.0001022500000000 ] - [ 0.0000206200000000, 0.0002100600000000, -0.0001354200000000 ] - [ 0.0002805400000000, 0.0000305500000000, 0.0000982000000000 ] - [ -0.0004900900000000, -0.0065474200000000, -0.0005477500000000 ] - [ -0.0001866100000000, -0.0000010900000000, 0.0004589800000000 ] - [ 0.0000302200000000, -0.0002075700000000, -0.0001335900000000 ] - [ -0.0022432100000000, 0.0000610800000000, 0.0020395000000000 ] - [ 0.0007551200000000, -0.0026581700000000, 0.0002699100000000 ] - [ 0.0000584800000000, -0.0000075300000000, 0.0001457600000000 ] - [ 0.0001302900000000, 0.0001697100000000, -0.0006392100000000 ] - [ 0.0001107200000000, -0.0000063600000000, 0.0000457300000000 ] - [ 0.0001040100000000, 0.0000131200000000, 0.0000275300000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001526400000000, -0.0000005100000000, -0.0000371500000000 ] - [ -0.0001004200000000, 0.0000001400000000, 0.0000585600000000 ] - [ -0.0000815800000000, 0.0000000700000000, 0.0000673200000000 ] - [ -0.0000969300000000, 0.0000001100000000, 0.0001170500000000 ] - [ -0.0009437600000000, -0.0000036900000000, -0.0003665500000000 ] - [ -0.0000548200000000, -0.0000008500000000, -0.0000082900000000 ] - [ -0.0120907500000000, -0.0025064100000000, -0.0033849200000000 ] - [ -0.0071715900000000, -0.0025325700000000, -0.0104075300000000 ] - [ -0.0009804500000000, -0.0000048000000000, -0.0003886200000000 ] - [ -0.0071801900000000, -0.0025860700000000, -0.0106555500000000 ] - [ -0.0000023500000000, -0.0000020500000000, 0.0001028000000000 ] - [ -0.0000825800000000, 0.0000000400000000, 0.0000313100000000 ] - [ -0.0000716500000000, -0.0000000500000000, 0.0000416800000000 ] - [ -0.0000977800000000, 0.0000001100000000, 0.0001162700000000 ] - [ -0.0000794400000000, -0.0000057700000000, -0.0000927300000000 ] - [ 0.0000653700000000, -0.0000021900000000, 0.0000434200000000 ] - [ -0.0121799100000000, -0.0025888200000000, -0.0033810400000000 ] - [ -0.0006167000000000, -0.0000082300000000, -0.0008789800000000 ] - [ -0.0000806100000000, -0.0000067000000000, -0.0001191100000000 ] - [ -0.0004952100000000, -0.0000078700000000, -0.0008854300000000 ] - [ 0.0000997100000000, -0.0000002900000000, 0.0001413700000000 ] - [ 0.0001237200000000, -0.0000039100000000, 0.0000847800000000 ] - [ 0.0000485000000000, -0.0001283500000000, 0.0000956800000000 ] - [ -0.0001574500000000, 0.0000000900000000, 0.0001871700000000 ] - [ 0.0000478700000000, 0.0001279800000000, 0.0000968100000000 ] - [ -0.0000003100000000, 0.0001160900000000, 0.0000970700000000 ] - [ -0.0004407000000000, -0.0004449300000000, 0.0122016800000000 ] - [ -0.0000646800000000, 0.0000019900000000, 0.0003066200000000 ] - [ -0.0000391300000000, -0.0001117500000000, 0.0000942900000000 ] - [ 0.0057445400000000, -0.0005371200000000, 0.0036714400000000 ] - [ -0.0001707600000000, 0.0000002300000000, 0.0001121900000000 ] - [ -0.0000064500000000, 0.0014039300000000, -0.0000530300000000 ] - [ 0.0005665100000000, -0.0002879300000000, 0.0002138800000000 ] - [ -0.0000728300000000, 0.0000007900000000, 0.0002944100000000 ] - [ 0.0250124700000000, 0.2006600000000000, 0.0187290100000000 ] - [ -0.0004457600000000, -0.0004035700000000, 0.0120955100000000 ] - [ -0.0013197100000000, -0.0751632600000000, -0.0011215700000000 ] - [ 0.0000200400000000, 0.0014689000000000, -0.0000728100000000 ] - [ 0.0005473500000000, -0.0003319400000000, 0.0001771600000000 ] - [ 0.0115923000000000, -0.0004576700000000, -0.0046302500000000 ] - [ 0.0000532900000000, 0.0000007700000000, 0.0002365000000000 ] - [ -0.0000618000000000, -0.0000013000000000, -0.0000529100000000 ] - [ 0.0000079500000000, -0.0001310300000000, 0.0000841300000000 ] - [ -0.0001569100000000, -0.0000000400000000, 0.0001693200000000 ] - [ 0.0000076000000000, 0.0001298700000000, 0.0000859200000000 ] - [ -0.0000388900000000, 0.0001106400000000, 0.0000946000000000 ] - [ 0.0004768700000000, -0.0000114900000000, 0.0000139700000000 ] - [ 0.0001422100000000, 0.0000059400000000, 0.0000849800000000 ] - [ -0.0000010200000000, -0.0001164800000000, 0.0000960300000000 ] - [ 0.0115300700000000, -0.0004296800000000, -0.0045795700000000 ] - [ -0.0001745000000000, 0.0000003300000000, 0.0001288000000000 ] - [ 0.0005916300000000, 0.0002869400000000, 0.0002553700000000 ] - [ -0.0000093900000000, -0.0013976100000000, -0.0000551300000000 ] - [ -0.0000413900000000, -0.0000004200000000, 0.0002042500000000 ] - [ 0.0010797200000000, 0.0006001300000000, 0.0007062500000000 ] - [ 0.0004474000000000, -0.0000076100000000, -0.0000216400000000 ] - [ 0.0009916700000000, -0.0006051400000000, 0.0006850300000000 ] - [ 0.0005735700000000, 0.0003314700000000, 0.0002151900000000 ] - [ 0.0000166800000000, -0.0014628400000000, -0.0000756500000000 ] - [ 0.0057410800000000, -0.0006047700000000, 0.0036489200000000 ] - [ -0.0000565000000000, 0.0001619000000000, -0.0001035400000000 ] - [ -0.0000989700000000, 0.0000000300000000, 0.0000316700000000 ] - [ -0.0000259300000000, -0.0001600500000000, -0.0000468100000000 ] - [ -0.0000165100000000, 0.0000006700000000, -0.0000971700000000 ] - [ -0.0000606800000000, -0.0000001000000000, -0.0000985300000000 ] - [ -0.0000691300000000, -0.0000016500000000, -0.0000235900000000 ] - [ 0.0000443300000000, -0.0000008200000000, -0.0001514300000000 ] - [ -0.0000667400000000, -0.0000041900000000, -0.0000734400000000 ] - [ -0.0001325400000000, -0.0000005300000000, 0.0000248200000000 ] - [ -0.0000692000000000, 0.0000014200000000, -0.0000250700000000 ] - [ -0.0000391200000000, -0.0000001200000000, -0.0000569000000000 ] - [ -0.0000665900000000, 0.0000038400000000, -0.0000740900000000 ] - [ 0.0000238100000000, 0.0000000000000000, -0.0001313300000000 ] - [ 0.0001414700000000, -0.0002864100000000, -0.0000664900000000 ] - [ -0.0000147200000000, -0.0000000400000000, -0.0001399000000000 ] - [ 0.0000071000000000, 0.0000851800000000, -0.0000339800000000 ] - [ -0.0000490900000000, -0.0001653700000000, 0.0006437700000000 ] - [ -0.0000839400000000, 0.0000744100000000, -0.0000963000000000 ] - [ -0.0000458800000000, 0.0000076400000000, -0.0000069400000000 ] - [ -0.0000280200000000, -0.0000808100000000, -0.0000826900000000 ] - [ 0.0023101900000000, -0.0000617200000000, -0.0020821600000000 ] - [ -0.0040505500000000, -0.0096422100000000, -0.0028113300000000 ] - [ -0.0001793200000000, 0.0000065400000000, -0.0005984600000000 ] - [ -0.0003938400000000, -0.0025030600000000, -0.0002665900000000 ] - [ -0.0149152600000000, -0.0257737100000000, 0.0158988900000000 ] - [ -0.0005756300000000, -0.0024837500000000, -0.0002841600000000 ] - [ 0.0097060000000000, -0.0254797700000000, -0.0192475000000000 ] - [ -0.0004482700000000, 0.0026281700000000, -0.0003404500000000 ] - [ 0.0110288000000000, -0.0278184900000000, -0.0212182000000000 ] - [ -0.0004522600000000, 0.0026608500000000, -0.0004168400000000 ] - [ -0.0157179400000000, -0.0267046800000000, 0.0167354400000000 ] - [ -0.0004610400000000, -0.0024308300000000, -0.0002785200000000 ] - [ -0.0000983800000000, 0.0000075500000000, -0.0003664200000000 ] - [ -0.0003797100000000, -0.0025433900000000, -0.0003392900000000 ] - [ -0.0000555900000000, -0.0000353900000000, -0.0001219200000000 ] - [ -0.0038896400000000, -0.0096496400000000, -0.0027270500000000 ] - [ -0.0002081000000000, 0.0000015600000000, 0.0004480500000000 ] - [ -0.0011907000000000, -0.0000596500000000, 0.0030163300000000 ] - [ 0.0002191700000000, 0.0002796500000000, 0.0000471400000000 ] - [ 0.0002183600000000, -0.0002816400000000, 0.0000515600000000 ] - [ -0.0000253700000000, 0.0001596300000000, -0.0000466600000000 ] - [ -0.0000914400000000, -0.0000001300000000, 0.0000505800000000 ] - [ -0.0000569200000000, -0.0001615800000000, -0.0001027600000000 ] - [ 0.0000239900000000, -0.0000000500000000, -0.0001105600000000 ] - [ -0.0000691400000000, -0.0000002500000000, -0.0001081900000000 ] - [ -0.0000712400000000, -0.0000047500000000, -0.0000142200000000 ] - [ 0.0000919800000000, -0.0000002700000000, -0.0001742400000000 ] - [ -0.0000605500000000, -0.0000049400000000, -0.0000802500000000 ] - [ -0.0001817700000000, -0.0000012200000000, 0.0000651800000000 ] - [ -0.0000714300000000, 0.0000044800000000, -0.0000157700000000 ] - [ -0.0000299100000000, -0.0000002000000000, -0.0000505000000000 ] - [ -0.0000606000000000, 0.0000046300000000, -0.0000809500000000 ] - [ -0.0000063000000000, 0.0000006200000000, -0.0001159900000000 ] - [ -0.0000762700000000, -0.0000849200000000, -0.0000811000000000 ] - [ -0.0000221700000000, -0.0000000100000000, -0.0001576400000000 ] - [ -0.0000283600000000, 0.0000813500000000, -0.0000806300000000 ] - [ -0.0011364500000000, -0.0000631400000000, 0.0030412000000000 ] - [ 0.0001415600000000, 0.0002826500000000, -0.0000733400000000 ] - [ -0.0002662600000000, 0.0000016700000000, 0.0003228800000000 ] - [ 0.0000073500000000, -0.0000852700000000, -0.0000354800000000 ] - [ -0.0003075100000000, -0.0000292100000000, -0.0000740700000000 ] - [ -0.0006520000000000, 0.0025968200000000, -0.0003200100000000 ] - [ 0.0001177600000000, 0.0000012300000000, -0.0004349200000000 ] - [ 0.0000245100000000, 0.0001887700000000, 0.0002303200000000 ] - [ -0.0001298200000000, -0.0000273400000000, -0.0000971900000000 ] - [ 0.0005973400000000, 0.0065607300000000, 0.0004851200000000 ] - [ -0.0000533200000000, -0.0001583100000000, -0.0000575700000000 ] - [ 0.0000340500000000, -0.0001910800000000, 0.0002307300000000 ] - [ -0.0000349200000000, -0.0001529500000000, -0.0000844100000000 ] - [ 0.0000193200000000, -0.0001723600000000, 0.0001371200000000 ] - [ -0.0002308500000000, -0.0000223300000000, -0.0000640400000000 ] - [ 0.0007693900000000, 0.0066908600000000, 0.0005458800000000 ] - [ 0.0001534600000000, 0.0000014800000000, -0.0002094000000000 ] - [ 0.0000094100000000, 0.0001695900000000, 0.0001353000000000 ] - [ 0.0025677500000000, -0.0000632700000000, -0.0021184400000000 ] - [ -0.0005317000000000, 0.0025362200000000, -0.0003042500000000 ] - [ -0.0000774600000000, 0.0000071000000000, 0.0000785600000000 ] - [ -0.0000959500000000, -0.0001598200000000, 0.0006146100000000 ] - [ -0.0000137400000000, 0.0000583200000000, 0.0000159700000000 ] - [ -0.0000082300000000, -0.0000649800000000, 0.0000302300000000 ]- atom: 35 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0002687500000000, -0.0000337600000000, 0.0011966400000000 ] - [ -0.0002528300000000, 0.0000066800000000, 0.0014050100000000 ] - [ -0.0000783400000000, 0.0000054000000000, 0.0014002000000000 ] - [ -0.0000437400000000, 0.0000014400000000, 0.0015831500000000 ] - [ -0.0012252700000000, 0.0006925100000000, 0.0022296600000000 ] - [ -0.0001258900000000, 0.0000445600000000, 0.0015125700000000 ] - [ 0.0009949900000000, 0.0049479800000000, -0.0140232900000000 ] - [ 0.0056592300000000, 0.0124842700000000, 0.0131289200000000 ] - [ -0.0012587100000000, 0.0006885800000000, 0.0022508800000000 ] - [ 0.0058062200000000, 0.0124701200000000, 0.0130385600000000 ] - [ -0.0003392300000000, -0.0000770100000000, 0.0016167600000000 ] - [ -0.0001879500000000, 0.0000058600000000, 0.0012999600000000 ] - [ -0.0000350400000000, 0.0000043500000000, 0.0012965200000000 ] - [ -0.0000440400000000, 0.0000015900000000, 0.0015791300000000 ] - [ 0.0009581800000000, 0.0000489500000000, 0.0007477800000000 ] - [ 0.0003383200000000, 0.0000282300000000, 0.0016369000000000 ] - [ 0.0009666100000000, 0.0049515100000000, -0.0141391500000000 ] - [ -0.0004677600000000, 0.0002726400000000, -0.0011639800000000 ] - [ 0.0009798900000000, 0.0000482900000000, 0.0007045400000000 ] - [ -0.0003505900000000, 0.0002741200000000, -0.0011601300000000 ] - [ 0.0000185600000000, -0.0000110800000000, 0.0018484400000000 ] - [ 0.0005475100000000, 0.0000485600000000, 0.0025739100000000 ] - [ 0.0002717300000000, -0.0000780300000000, 0.0021319300000000 ] - [ -0.0002269300000000, -0.0000018700000000, 0.0023567400000000 ] - [ 0.0002839400000000, 0.0000775200000000, 0.0021442600000000 ] - [ 0.0001135400000000, -0.0000066700000000, 0.0021100400000000 ] - [ -0.0049231800000000, -0.0051212200000000, 0.0107282400000000 ] - [ -0.0006186300000000, -0.0001456900000000, 0.0026716000000000 ] - [ -0.0000632500000000, -0.0000017200000000, 0.0021209400000000 ] - [ 0.0112616500000000, -0.0108044500000000, 0.0017914100000000 ] - [ -0.0002328800000000, -0.0000019500000000, 0.0022289200000000 ] - [ -0.0010301400000000, 0.0000108800000000, 0.0012899600000000 ] - [ 0.0021738100000000, 0.0003403500000000, 0.0037441400000000 ] - [ -0.0001531100000000, -0.0000263000000000, 0.0026420700000000 ] - [ -0.0404242700000000, -0.0221117000000000, -0.1633984200000000 ] - [ -0.0048481800000000, -0.0049392800000000, 0.0105153700000000 ] - [ 0.0070805700000000, -0.0012866700000000, -0.0335821200000000 ] - [ -0.0009669100000000, 0.0000613400000000, 0.0012943800000000 ] - [ 0.0021346000000000, 0.0002874000000000, 0.0037028700000000 ] - [ -0.0103149200000000, 0.0001624400000000, -0.0012120700000000 ] - [ -0.0000463800000000, -0.0000303100000000, 0.0025176000000000 ] - [ -0.0001401600000000, 0.0000691000000000, 0.0022788300000000 ] - [ 0.0000930400000000, -0.0000620200000000, 0.0021090700000000 ] - [ -0.0002275100000000, -0.0000018400000000, 0.0022846700000000 ] - [ 0.0001028200000000, 0.0000621500000000, 0.0021213500000000 ] - [ -0.0000705900000000, 0.0000016400000000, 0.0021115600000000 ] - [ 0.0021010100000000, 0.0004112400000000, -0.0014791100000000 ] - [ 0.0003120200000000, -0.0000543500000000, 0.0019812700000000 ] - [ 0.0001241100000000, 0.0000059700000000, 0.0021193200000000 ] - [ -0.0103138400000000, 0.0001423300000000, -0.0013353200000000 ] - [ -0.0002395500000000, -0.0000018000000000, 0.0022968500000000 ] - [ 0.0009327200000000, -0.0003811900000000, 0.0024376100000000 ] - [ -0.0008605200000000, -0.0000131400000000, 0.0013461700000000 ] - [ -0.0001160900000000, -0.0000069100000000, 0.0019681000000000 ] - [ -0.0002129100000000, -0.0008657400000000, -0.0090054300000000 ] - [ 0.0020387600000000, 0.0003900000000000, -0.0014971900000000 ] - [ 0.0018109100000000, 0.0008331400000000, -0.0087043800000000 ] - [ 0.0008865800000000, -0.0003286300000000, 0.0024074800000000 ] - [ -0.0008058500000000, -0.0000640500000000, 0.0013445600000000 ] - [ 0.0112242400000000, -0.0107333600000000, 0.0018771200000000 ] - [ -0.0002445000000000, 0.0001977600000000, -0.0015282700000000 ] - [ -0.0000470700000000, -0.0000024300000000, -0.0017734500000000 ] - [ -0.0000776200000000, -0.0001486800000000, -0.0013284900000000 ] - [ -0.0000099200000000, -0.0000077000000000, -0.0014420500000000 ] - [ 0.0001549600000000, 0.0000011200000000, -0.0013623000000000 ] - [ -0.0002322100000000, 0.0001372600000000, -0.0012792900000000 ] - [ 0.0000351500000000, 0.0000065700000000, -0.0015920200000000 ] - [ -0.0002112400000000, -0.0001072800000000, -0.0012894000000000 ] - [ 0.0000000600000000, 0.0000051000000000, -0.0018521200000000 ] - [ -0.0002331400000000, -0.0001371700000000, -0.0012788000000000 ] - [ 0.0001840500000000, 0.0000017000000000, -0.0013616600000000 ] - [ -0.0002102700000000, 0.0001072500000000, -0.0012933800000000 ] - [ 0.0003262800000000, -0.0000045600000000, -0.0014482900000000 ] - [ 0.0004437500000000, 0.0000175400000000, -0.0015277000000000 ] - [ 0.0000785600000000, -0.0000006700000000, -0.0018574600000000 ] - [ -0.0000683900000000, 0.0000002500000000, -0.0011946200000000 ] - [ -0.0013466700000000, 0.0011004200000000, -0.0021721300000000 ] - [ -0.0005852200000000, -0.0001221800000000, -0.0012829300000000 ] - [ 0.0000930200000000, 0.0002098300000000, -0.0018855800000000 ] - [ -0.0002492600000000, 0.0000558800000000, -0.0013881900000000 ] - [ 0.0021566600000000, 0.0000391000000000, -0.0009113900000000 ] - [ 0.0280738400000000, 0.0042986900000000, 0.0306967500000000 ] - [ -0.0002477400000000, -0.0002683600000000, -0.0026526500000000 ] - [ -0.0000124200000000, -0.0002515000000000, -0.0055507900000000 ] - [ -0.0073136300000000, -0.0134635900000000, 0.0241246500000000 ] - [ 0.0019896700000000, 0.0005692700000000, 0.0050652900000000 ] - [ -0.0061524500000000, 0.0174923600000000, 0.0267688700000000 ] - [ -0.0005460000000000, 0.0002521800000000, -0.0019197100000000 ] - [ -0.0059918800000000, 0.0173796300000000, 0.0265594300000000 ] - [ -0.0005550400000000, 0.0002641900000000, -0.0020316800000000 ] - [ -0.0075545700000000, -0.0136085900000000, 0.0239301700000000 ] - [ 0.0021445100000000, 0.0006423800000000, 0.0050818100000000 ] - [ -0.0001643000000000, -0.0002497600000000, -0.0023631000000000 ] - [ -0.0000537400000000, -0.0003252000000000, -0.0056933100000000 ] - [ -0.0018257800000000, -0.0009681800000000, -0.0011694300000000 ] - [ 0.0273407800000000, 0.0041687700000000, 0.0300590900000000 ] - [ 0.0002388300000000, -0.0000168500000000, -0.0008769700000000 ] - [ 0.0016166600000000, -0.0000395300000000, -0.0009656100000000 ] - [ 0.0003441200000000, 0.0000657700000000, -0.0012824200000000 ] - [ 0.0005399800000000, -0.0001188900000000, -0.0014998600000000 ] - [ -0.0000942100000000, 0.0001561100000000, -0.0012993500000000 ] - [ -0.0000040900000000, -0.0000012700000000, -0.0017057900000000 ] - [ -0.0002544600000000, -0.0002062800000000, -0.0015640500000000 ] - [ 0.0002488600000000, -0.0000048300000000, -0.0015602500000000 ] - [ 0.0001197700000000, 0.0000016800000000, -0.0014032200000000 ] - [ -0.0002406400000000, 0.0001329700000000, -0.0012380600000000 ] - [ 0.0001879400000000, 0.0000039400000000, -0.0016739800000000 ] - [ -0.0001949800000000, -0.0001095500000000, -0.0013228900000000 ] - [ -0.0001450100000000, 0.0000085900000000, -0.0017207200000000 ] - [ -0.0002406300000000, -0.0001324700000000, -0.0012367300000000 ] - [ 0.0002234700000000, 0.0000007200000000, -0.0013264000000000 ] - [ -0.0001936500000000, 0.0001093400000000, -0.0013259200000000 ] - [ 0.0000967200000000, -0.0000080700000000, -0.0013116700000000 ] - [ -0.0006668700000000, 0.0001590000000000, -0.0014266500000000 ] - [ 0.0000345600000000, -0.0000019800000000, -0.0019187800000000 ] - [ -0.0002590500000000, -0.0000640100000000, -0.0014175100000000 ] - [ 0.0016593800000000, -0.0000388100000000, -0.0009205800000000 ] - [ 0.0002474200000000, -0.0000200800000000, -0.0013053700000000 ] - [ 0.0003114900000000, -0.0000102600000000, -0.0009222200000000 ] - [ -0.0000802400000000, -0.0000005300000000, -0.0011766000000000 ] - [ -0.0020675500000000, -0.0009561100000000, -0.0011341500000000 ] - [ 0.0031968100000000, -0.0007807900000000, 0.0038186100000000 ] - [ 0.0001510100000000, 0.0000098000000000, -0.0013787000000000 ] - [ 0.0000160200000000, 0.0000926500000000, 0.0005024500000000 ] - [ -0.0022810000000000, -0.0009463200000000, 0.0046241800000000 ] - [ -0.0013167300000000, 0.0005966200000000, 0.0069433400000000 ] - [ -0.0040096900000000, 0.0010222600000000, 0.0040140100000000 ] - [ -0.0000912400000000, -0.0001289300000000, 0.0005870800000000 ] - [ -0.0039848900000000, 0.0010197300000000, 0.0039745400000000 ] - [ -0.0001047200000000, -0.0001233800000000, 0.0004793100000000 ] - [ -0.0024014200000000, -0.0009480100000000, 0.0046749200000000 ] - [ -0.0012065900000000, 0.0007261900000000, 0.0069427000000000 ] - [ 0.0001629200000000, 0.0000094300000000, -0.0010989400000000 ] - [ 0.0000021100000000, 0.0000855800000000, 0.0003933000000000 ] - [ 0.0023840600000000, 0.0000370600000000, -0.0009873000000000 ] - [ 0.0033568400000000, -0.0008541200000000, 0.0038338100000000 ] - [ -0.0002265500000000, 0.0002018800000000, -0.0018895800000000 ] - [ -0.0013820200000000, 0.0010923300000000, -0.0021521500000000 ] - [ -0.0004749100000000, -0.0000522000000000, -0.0012347900000000 ] - [ -0.0005451800000000, 0.0000598200000000, -0.0013903300000000 ]- atom: 35 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0002015400000000, 0.0000259500000000, -0.0013552700000000 ] - [ 0.0000996900000000, -0.0000055500000000, -0.0014373100000000 ] - [ -0.0000313800000000, -0.0000045600000000, -0.0014186800000000 ] - [ -0.0001580600000000, -0.0000012900000000, -0.0014828300000000 ] - [ 0.0012025700000000, -0.0006783800000000, -0.0022539200000000 ] - [ 0.0001978400000000, -0.0000428600000000, -0.0015073400000000 ] - [ -0.0009053400000000, -0.0049181600000000, 0.0140893900000000 ] - [ -0.0055662200000000, -0.0122925300000000, -0.0130296900000000 ] - [ 0.0012181200000000, -0.0007039400000000, -0.0023369700000000 ] - [ -0.0056511400000000, -0.0126648200000000, -0.0132405900000000 ] - [ 0.0004109900000000, 0.0000706300000000, -0.0017784000000000 ] - [ 0.0000340000000000, -0.0000049800000000, -0.0013306000000000 ] - [ -0.0000725500000000, -0.0000037100000000, -0.0013161100000000 ] - [ -0.0001574000000000, -0.0000008000000000, -0.0014796800000000 ] - [ -0.0009616600000000, -0.0000481900000000, -0.0007803200000000 ] - [ -0.0002624000000000, -0.0000273000000000, -0.0016337700000000 ] - [ -0.0009750400000000, -0.0049811300000000, 0.0141524200000000 ] - [ 0.0004743300000000, -0.0002725000000000, 0.0010962300000000 ] - [ -0.0010386400000000, -0.0000498500000000, -0.0007809500000000 ] - [ 0.0005932900000000, -0.0002735000000000, 0.0011223800000000 ] - [ 0.0001197400000000, 0.0000116100000000, -0.0018835300000000 ] - [ -0.0003997600000000, -0.0000483400000000, -0.0026219500000000 ] - [ -0.0002332900000000, -0.0002052300000000, -0.0021480500000000 ] - [ -0.0000725500000000, 0.0000021100000000, -0.0022186200000000 ] - [ -0.0002457400000000, 0.0002060000000000, -0.0021563300000000 ] - [ -0.0001842400000000, 0.0001841100000000, -0.0021289900000000 ] - [ 0.0048422500000000, 0.0050160900000000, -0.0106414200000000 ] - [ 0.0005338800000000, 0.0001430000000000, -0.0026076700000000 ] - [ -0.0000091000000000, -0.0001755600000000, -0.0021403500000000 ] - [ -0.0110743400000000, 0.0107820800000000, -0.0019101300000000 ] - [ -0.0001236600000000, 0.0000018600000000, -0.0022191000000000 ] - [ 0.0010685100000000, -0.0000947100000000, -0.0013189000000000 ] - [ -0.0021020300000000, -0.0002549300000000, -0.0037529400000000 ] - [ 0.0000138500000000, 0.0000266700000000, -0.0025879600000000 ] - [ 0.0406856300000000, 0.0220787300000000, 0.1633118700000000 ] - [ 0.0048464100000000, 0.0050417800000000, -0.0105709400000000 ] - [ -0.0068073200000000, 0.0013115800000000, 0.0335486400000000 ] - [ 0.0010253500000000, -0.0000204800000000, -0.0013757600000000 ] - [ -0.0021092900000000, -0.0003291000000000, -0.0038056600000000 ] - [ 0.0103927100000000, -0.0001790100000000, 0.0012148400000000 ] - [ 0.0001856700000000, 0.0000305100000000, -0.0025574700000000 ] - [ 0.0002952000000000, -0.0000699100000000, -0.0023259500000000 ] - [ -0.0000515700000000, -0.0002211000000000, -0.0021252500000000 ] - [ -0.0000717900000000, 0.0000014400000000, -0.0021463400000000 ] - [ -0.0000615300000000, 0.0002212000000000, -0.0021338900000000 ] - [ -0.0000025900000000, 0.0001756700000000, -0.0021312500000000 ] - [ -0.0021075900000000, -0.0004143900000000, 0.0015029700000000 ] - [ -0.0003892700000000, 0.0000544400000000, -0.0019231100000000 ] - [ -0.0001947100000000, -0.0001832800000000, -0.0021378200000000 ] - [ 0.0104318800000000, -0.0001250300000000, 0.0011898500000000 ] - [ -0.0001167800000000, 0.0000020100000000, -0.0022887900000000 ] - [ -0.0008847600000000, 0.0002950500000000, -0.0024611300000000 ] - [ 0.0009019100000000, 0.0000972100000000, -0.0013745200000000 ] - [ -0.0000218000000000, 0.0000067600000000, -0.0019202400000000 ] - [ 0.0004855800000000, 0.0008393600000000, 0.0089753400000000 ] - [ -0.0021147100000000, -0.0003865200000000, 0.0015034400000000 ] - [ -0.0015381600000000, -0.0008065400000000, 0.0086725400000000 ] - [ -0.0008372500000000, 0.0003714800000000, -0.0024936600000000 ] - [ 0.0008614500000000, 0.0000233900000000, -0.0014279700000000 ] - [ -0.0112135400000000, 0.0107546000000000, -0.0019005800000000 ] - [ 0.0002018400000000, 0.0000874500000000, 0.0015064900000000 ] - [ -0.0001412600000000, 0.0000024500000000, 0.0020568400000000 ] - [ 0.0000336500000000, -0.0001385000000000, 0.0013036600000000 ] - [ -0.0000431900000000, 0.0000081000000000, 0.0014151100000000 ] - [ -0.0003275100000000, -0.0000013900000000, 0.0012737100000000 ] - [ 0.0001116900000000, -0.0001618300000000, 0.0013712400000000 ] - [ 0.0001018900000000, -0.0000061000000000, 0.0013457600000000 ] - [ 0.0000915300000000, 0.0001204900000000, 0.0012619400000000 ] - [ -0.0002982700000000, -0.0000051600000000, 0.0020079600000000 ] - [ 0.0001125900000000, 0.0001624400000000, 0.0013686200000000 ] - [ -0.0002724000000000, -0.0000013900000000, 0.0013865100000000 ] - [ 0.0000907400000000, -0.0001204300000000, 0.0012646500000000 ] - [ -0.0003968300000000, 0.0000049300000000, 0.0013812200000000 ] - [ -0.0004474700000000, -0.0001492300000000, 0.0013977200000000 ] - [ -0.0001339400000000, 0.0000010100000000, 0.0017408500000000 ] - [ 0.0000822900000000, 0.0002253100000000, 0.0012284200000000 ] - [ 0.0014691900000000, -0.0010985500000000, 0.0022050200000000 ] - [ 0.0005713700000000, 0.0002526300000000, 0.0011532200000000 ] - [ -0.0001343800000000, -0.0002048000000000, 0.0019401700000000 ] - [ 0.0002618000000000, -0.0002801600000000, 0.0014179600000000 ] - [ -0.0023194300000000, -0.0000360500000000, 0.0009506200000000 ] - [ -0.0265282700000000, -0.0041361200000000, -0.0299152300000000 ] - [ 0.0000775900000000, 0.0002617000000000, 0.0024858200000000 ] - [ 0.0000795500000000, 0.0002524700000000, 0.0056902700000000 ] - [ 0.0079049900000000, 0.0139591000000000, -0.0243539900000000 ] - [ -0.0020423900000000, -0.0005937500000000, -0.0051278200000000 ] - [ 0.0057944600000000, -0.0167874600000000, -0.0263373900000000 ] - [ 0.0006190400000000, -0.0002523700000000, 0.0021292900000000 ] - [ 0.0064572200000000, -0.0180830900000000, -0.0268777300000000 ] - [ 0.0005907700000000, -0.0002283400000000, 0.0020313000000000 ] - [ 0.0072845500000000, 0.0131275900000000, -0.0237295400000000 ] - [ -0.0019254300000000, -0.0005363300000000, -0.0051343800000000 ] - [ 0.0001415900000000, 0.0002560700000000, 0.0026404400000000 ] - [ 0.0000964200000000, 0.0002906900000000, 0.0057660200000000 ] - [ 0.0021670500000000, 0.0009711200000000, 0.0010933100000000 ] - [ -0.0287283800000000, -0.0044146900000000, -0.0309363600000000 ] - [ -0.0002822100000000, 0.0000171600000000, 0.0011128700000000 ] - [ -0.0015754400000000, 0.0000439000000000, 0.0009380800000000 ] - [ -0.0002372600000000, -0.0000030300000000, 0.0013485000000000 ] - [ -0.0004381100000000, 0.0000578200000000, 0.0015671500000000 ] - [ 0.0000510000000000, 0.0001309300000000, 0.0012756200000000 ] - [ -0.0001850300000000, 0.0000014000000000, 0.0019878200000000 ] - [ 0.0002119400000000, -0.0000790900000000, 0.0015415100000000 ] - [ -0.0003047100000000, 0.0000052200000000, 0.0015351400000000 ] - [ -0.0002898100000000, -0.0000015400000000, 0.0013152800000000 ] - [ 0.0001211600000000, -0.0001582800000000, 0.0013300100000000 ] - [ -0.0000523200000000, -0.0000041100000000, 0.0014288100000000 ] - [ 0.0000744400000000, 0.0001219900000000, 0.0012955700000000 ] - [ -0.0001538600000000, -0.0000081300000000, 0.0018778200000000 ] - [ 0.0001203600000000, 0.0001583700000000, 0.0013265900000000 ] - [ -0.0003132200000000, -0.0000006600000000, 0.0013511800000000 ] - [ 0.0000732100000000, -0.0001216500000000, 0.0012967300000000 ] - [ -0.0001711300000000, 0.0000078300000000, 0.0012462600000000 ] - [ 0.0006534400000000, -0.0002893900000000, 0.0012992800000000 ] - [ -0.0000904200000000, 0.0000021100000000, 0.0018024800000000 ] - [ 0.0002714100000000, 0.0002872500000000, 0.0014491300000000 ] - [ -0.0015236000000000, 0.0000352100000000, 0.0009595500000000 ] - [ -0.0002555500000000, 0.0001515200000000, 0.0011766400000000 ] - [ -0.0003508000000000, 0.0000107100000000, 0.0009843000000000 ] - [ 0.0000940000000000, -0.0002254900000000, 0.0012085400000000 ] - [ 0.0018839500000000, 0.0009534000000000, 0.0011693600000000 ] - [ -0.0032539700000000, 0.0008057300000000, -0.0038823500000000 ] - [ -0.0003182600000000, -0.0000098000000000, 0.0012208500000000 ] - [ 0.0000487000000000, -0.0000944600000000, -0.0002961800000000 ] - [ 0.0025480700000000, 0.0009444600000000, -0.0046859800000000 ] - [ 0.0012734100000000, -0.0006273500000000, -0.0069917600000000 ] - [ 0.0040270500000000, -0.0010235400000000, -0.0039254600000000 ] - [ 0.0001559700000000, 0.0001307800000000, -0.0003829200000000 ] - [ 0.0040762000000000, -0.0010182000000000, -0.0039657600000000 ] - [ 0.0001490400000000, 0.0001554900000000, -0.0004748300000000 ] - [ 0.0024467800000000, 0.0009501000000000, -0.0046326300000000 ] - [ 0.0014162800000000, -0.0006148600000000, -0.0070085600000000 ] - [ -0.0001884600000000, -0.0000094500000000, 0.0013670000000000 ] - [ 0.0000424000000000, -0.0001177800000000, -0.0003895700000000 ] - [ -0.0020627700000000, -0.0000402000000000, 0.0009069900000000 ] - [ -0.0031329100000000, 0.0007480500000000, -0.0038854900000000 ] - [ 0.0001868600000000, -0.0002065100000000, 0.0021327100000000 ] - [ 0.0014357600000000, -0.0010936500000000, 0.0021303300000000 ] - [ 0.0005872000000000, 0.0001151000000000, 0.0013018400000000 ] - [ 0.0006564200000000, -0.0001223100000000, 0.0014546000000000 ]- atom: 36 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0027841700000000, 0.0000000000000000, -0.0001979500000000 ] - [ -0.0007149400000000, 0.0000000000000000, 0.0005264000000000 ] - [ -0.0000745600000000, 0.0000000000000000, -0.0000207000000000 ] - [ 0.0000553900000000, 0.0000000000000000, 0.0000277700000000 ] - [ 0.0000458700000000, 0.0000000000000000, -0.0001595700000000 ] - [ 0.0000788100000000, 0.0000000000000000, -0.0000617700000000 ] - [ 0.0025620700000000, 0.0000000000000000, -0.0019499300000000 ] - [ -0.0004555400000000, 0.0000000000000000, -0.0001837200000000 ] - [ -0.0117036200000000, 0.0000000000000000, 0.0056620200000000 ] - [ 0.0036974600000000, 0.0000000000000000, -0.0054292500000000 ] - [ -0.0054493400000000, 0.0000000000000000, 0.0000350300000000 ] - [ 0.0005064100000000, 0.0000000000000000, -0.0004941500000000 ] - [ -0.0000427400000000, 0.0000000000000000, -0.0000714200000000 ] - [ -0.0002243200000000, 0.0000000000000000, -0.0000288700000000 ] - [ -0.0000551500000000, 0.0000000000000000, 0.0000674700000000 ] - [ -0.0000062400000000, 0.0000000000000000, -0.0000326600000000 ] - [ -0.0021636600000000, 0.0000000000000000, 0.0046510700000000 ] - [ 0.0006606300000000, 0.0000000000000000, 0.0000376700000000 ] - [ 0.0064429600000000, 0.0000000000000000, 0.0001289300000000 ] - [ 0.0122566500000000, 0.0000000000000000, 0.0053311000000000 ] - [ 0.0011150600000000, 0.0000000000000000, -0.0032310700000000 ] - [ 0.0030927800000000, 0.0000000000000000, 0.0028089300000000 ] - [ 0.0009030400000000, -0.0002692700000000, 0.0003600500000000 ] - [ -0.0001715000000000, 0.0000000000000000, 0.0001949200000000 ] - [ 0.0009030400000000, 0.0002692700000000, 0.0003600500000000 ] - [ -0.0001045500000000, 0.0000910200000000, -0.0000619500000000 ] - [ 0.0000295000000000, 0.0000000000000000, -0.0008965100000000 ] - [ -0.0000388700000000, 0.0000000000000000, -0.0000867800000000 ] - [ 0.0000354700000000, -0.0000897900000000, -0.0000811800000000 ] - [ -0.0012403300000000, 0.0000000000000000, 0.0006858900000000 ] - [ 0.0000631400000000, 0.0000000000000000, -0.0002576200000000 ] - [ 0.0002626700000000, -0.0000656300000000, -0.0000946200000000 ] - [ -0.0002132800000000, 0.0000338400000000, -0.0000628400000000 ] - [ -0.0000752500000000, 0.0000000000000000, -0.0000448400000000 ] - [ -0.0031669000000000, 0.0003988800000000, -0.0044279200000000 ] - [ -0.1665619400000000, 0.0000000000000000, -0.0016448200000000 ] - [ -0.0031669000000000, -0.0003988800000000, -0.0044279200000000 ] - [ 0.0096372200000000, -0.0113948500000000, -0.0117669800000000 ] - [ 0.0112269900000000, 0.0059801500000000, 0.0094219500000000 ] - [ -0.0037214400000000, 0.0000000000000000, 0.0056649900000000 ] - [ -0.0015662600000000, 0.0000000000000000, 0.0028688500000000 ] - [ 0.0000539200000000, 0.0000000000000000, -0.0029451000000000 ] - [ -0.0006531000000000, -0.0002269000000000, -0.0006234900000000 ] - [ -0.0001448800000000, 0.0000000000000000, -0.0002027300000000 ] - [ -0.0006531000000000, 0.0002269000000000, -0.0006234900000000 ] - [ 0.0000354700000000, 0.0000897900000000, -0.0000811800000000 ] - [ -0.0000131200000000, 0.0000000000000000, 0.0007570100000000 ] - [ -0.0000548500000000, 0.0000000000000000, 0.0000107800000000 ] - [ -0.0001045500000000, -0.0000910200000000, -0.0000619500000000 ] - [ 0.0008217100000000, 0.0000000000000000, -0.0010357500000000 ] - [ -0.0004699400000000, 0.0000000000000000, 0.0001347300000000 ] - [ -0.0002132800000000, -0.0000338400000000, -0.0000628400000000 ] - [ 0.0002626700000000, 0.0000656300000000, -0.0000946200000000 ] - [ -0.0000469100000000, 0.0000000000000000, -0.0000217900000000 ] - [ 0.0036250200000000, -0.0004970100000000, 0.0015913700000000 ] - [ 0.0071668800000000, 0.0000000000000000, 0.0003926100000000 ] - [ 0.0036250200000000, 0.0004970100000000, 0.0015913700000000 ] - [ 0.0112269900000000, -0.0059801500000000, 0.0094219500000000 ] - [ 0.0096372200000000, 0.0113948500000000, -0.0117669800000000 ] - [ 0.0123632400000000, 0.0000000000000000, -0.0065972000000000 ] - [ -0.0003912700000000, 0.0000815000000000, -0.0014488100000000 ] - [ -0.0002677100000000, 0.0000000000000000, -0.0001662400000000 ] - [ 0.0000848700000000, -0.0000171000000000, 0.0011871600000000 ] - [ -0.0017332700000000, 0.0000000000000000, 0.0002649300000000 ] - [ 0.0000072900000000, 0.0000000000000000, 0.0002176100000000 ] - [ -0.0001126900000000, 0.0000000400000000, 0.0000199800000000 ] - [ -0.0007503300000000, 0.0000000000000000, -0.0001937000000000 ] - [ -0.0003121000000000, -0.0000208400000000, 0.0000731500000000 ] - [ -0.0001707600000000, 0.0000000000000000, 0.0001338900000000 ] - [ -0.0001126900000000, -0.0000000400000000, 0.0000199800000000 ] - [ 0.0000168700000000, 0.0000000000000000, 0.0000124800000000 ] - [ -0.0003121000000000, 0.0000208400000000, 0.0000731500000000 ] - [ -0.0000553600000000, 0.0000000000000000, 0.0000131700000000 ] - [ -0.0000291800000000, -0.0000664300000000, 0.0000122600000000 ] - [ -0.0000661100000000, 0.0000000000000000, 0.0000437700000000 ] - [ -0.0000056800000000, 0.0001107900000000, 0.0000585500000000 ] - [ 0.0002526300000000, 0.0000000000000000, -0.0000939500000000 ] - [ 0.0000209700000000, 0.0000667900000000, -0.0000709000000000 ] - [ 0.0000323000000000, 0.0000000000000000, 0.0000858700000000 ] - [ 0.0000339800000000, -0.0001163100000000, 0.0000492800000000 ] - [ -0.0003699000000000, 0.0000000000000000, 0.0002633900000000 ] - [ 0.0009956700000000, -0.0001529700000000, 0.0000096400000000 ] - [ -0.0000202100000000, 0.0000000000000000, 0.0000246500000000 ] - [ 0.0002430800000000, 0.0001002000000000, 0.0003867700000000 ] - [ 0.0091519500000000, 0.0000000000000000, 0.0053172800000000 ] - [ -0.0011571500000000, -0.0000704000000000, 0.0003157000000000 ] - [ 0.0008839500000000, 0.0000000000000000, 0.0005221800000000 ] - [ 0.0002430800000000, -0.0001002000000000, 0.0003867700000000 ] - [ 0.0049301000000000, 0.0000000000000000, 0.0017409100000000 ] - [ 0.0233154700000000, -0.0320196500000000, 0.0091631200000000 ] - [ 0.0004626900000000, 0.0000000000000000, 0.0016799800000000 ] - [ -0.0026435800000000, 0.0018077200000000, -0.0049357800000000 ] - [ 0.0000014200000000, 0.0000000000000000, -0.0051924000000000 ] - [ 0.0233154700000000, 0.0320196500000000, 0.0091631200000000 ] - [ -0.0060295400000000, 0.0000000000000000, 0.0004745200000000 ] - [ -0.0017020700000000, -0.0013363400000000, 0.0044418200000000 ] - [ -0.0013547100000000, 0.0000000000000000, 0.0015941100000000 ] - [ 0.0030133300000000, 0.0000000000000000, 0.0001936800000000 ] - [ 0.0047096600000000, -0.0020801800000000, 0.0034402500000000 ] - [ 0.0047096600000000, 0.0020801800000000, 0.0034402500000000 ] - [ 0.0000848700000000, 0.0000171000000000, 0.0011871600000000 ] - [ -0.0000003300000000, 0.0000000000000000, 0.0005662400000000 ] - [ -0.0003912700000000, -0.0000815000000000, -0.0014488100000000 ] - [ 0.0017527500000000, 0.0000000000000000, 0.0005346000000000 ] - [ -0.0001757600000000, 0.0000000000000000, -0.0002936000000000 ] - [ -0.0000065400000000, -0.0000343100000000, 0.0001383500000000 ] - [ 0.0010634100000000, 0.0000000000000000, 0.0000289600000000 ] - [ 0.0002400800000000, -0.0000024000000000, 0.0000128400000000 ] - [ -0.0001370200000000, 0.0000000000000000, 0.0001261300000000 ] - [ -0.0000065400000000, 0.0000343100000000, 0.0001383500000000 ] - [ -0.0001256100000000, 0.0000000000000000, 0.0000964800000000 ] - [ 0.0002400800000000, 0.0000024000000000, 0.0000128400000000 ] - [ -0.0000160400000000, 0.0000000000000000, 0.0000005400000000 ] - [ 0.0000209700000000, -0.0000667900000000, -0.0000709000000000 ] - [ 0.0000241100000000, 0.0000000000000000, -0.0000394500000000 ] - [ 0.0000339800000000, 0.0001163100000000, 0.0000492800000000 ] - [ -0.0000649400000000, 0.0000000000000000, 0.0001987400000000 ] - [ -0.0000291800000000, 0.0000664300000000, 0.0000122600000000 ] - [ -0.0000794400000000, 0.0000000000000000, 0.0000332900000000 ] - [ -0.0000056800000000, -0.0001107900000000, 0.0000585500000000 ] - [ 0.0001913200000000, 0.0000000000000000, -0.0001087600000000 ] - [ -0.0011571500000000, 0.0000704000000000, 0.0003157000000000 ] - [ -0.0001408000000000, 0.0000000000000000, -0.0000730200000000 ] - [ -0.0001955700000000, -0.0000616300000000, -0.0001126900000000 ] - [ -0.0027555700000000, 0.0000000000000000, -0.0005345700000000 ] - [ 0.0009956700000000, 0.0001529700000000, 0.0000096400000000 ] - [ -0.0003401900000000, 0.0000000000000000, -0.0013000100000000 ] - [ -0.0001955700000000, 0.0000616300000000, -0.0001126900000000 ] - [ -0.0045505400000000, 0.0000000000000000, 0.0004596900000000 ] - [ -0.0075576400000000, 0.0023398800000000, -0.0009226000000000 ] - [ -0.0004286700000000, 0.0000000000000000, -0.0014321600000000 ] - [ -0.0017020700000000, 0.0013363400000000, 0.0044418200000000 ] - [ -0.0040046300000000, 0.0000000000000000, 0.0059057400000000 ] - [ -0.0075576400000000, -0.0023398800000000, -0.0009226000000000 ] - [ 0.0844127700000000, 0.0000000000000000, -0.0184317600000000 ] - [ -0.0026435800000000, -0.0018077200000000, -0.0049357800000000 ] - [ -0.0015354000000000, 0.0000000000000000, -0.0057937300000000 ] - [ -0.0079224800000000, 0.0000000000000000, -0.0012561200000000 ] - [ -0.0030343000000000, -0.0004717700000000, -0.0010801300000000 ] - [ -0.0030343000000000, 0.0004717700000000, -0.0010801300000000 ]- atom: 36 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0027185900000000, 0.0000000000000000, 0.0000403000000000 ] - [ 0.0005625500000000, 0.0000000000000000, -0.0005606000000000 ] - [ -0.0000432500000000, 0.0000000000000000, 0.0000019900000000 ] - [ -0.0002529800000000, 0.0000000000000000, 0.0000594200000000 ] - [ -0.0000587800000000, 0.0000000000000000, 0.0001274000000000 ] - [ -0.0000072900000000, 0.0000000000000000, 0.0000544200000000 ] - [ -0.0025183300000000, 0.0000000000000000, 0.0020022200000000 ] - [ 0.0004597100000000, 0.0000000000000000, 0.0001152700000000 ] - [ 0.0116253500000000, 0.0000000000000000, -0.0057070800000000 ] - [ -0.0034057900000000, 0.0000000000000000, 0.0053564200000000 ] - [ 0.0055109400000000, 0.0000000000000000, -0.0001658300000000 ] - [ -0.0006590000000000, 0.0000000000000000, 0.0004595100000000 ] - [ -0.0000750400000000, 0.0000000000000000, 0.0000530100000000 ] - [ 0.0000270600000000, 0.0000000000000000, 0.0001157900000000 ] - [ 0.0000398400000000, 0.0000000000000000, -0.0000974200000000 ] - [ 0.0000770400000000, 0.0000000000000000, 0.0000248900000000 ] - [ 0.0021664700000000, 0.0000000000000000, -0.0045821700000000 ] - [ -0.0006549100000000, 0.0000000000000000, -0.0000938400000000 ] - [ -0.0065095700000000, 0.0000000000000000, -0.0002229300000000 ] - [ -0.0119058500000000, 0.0000000000000000, -0.0053896000000000 ] - [ -0.0009919800000000, 0.0000000000000000, 0.0031928800000000 ] - [ -0.0029296800000000, 0.0000000000000000, -0.0028245600000000 ] - [ -0.0008677800000000, -0.0000319300000000, -0.0003873800000000 ] - [ -0.0001417400000000, 0.0000000000000000, -0.0000693600000000 ] - [ -0.0008677800000000, 0.0000319300000000, -0.0003873800000000 ] - [ 0.0000356700000000, 0.0000895000000000, 0.0000413300000000 ] - [ -0.0000270000000000, 0.0000000000000000, 0.0009366000000000 ] - [ -0.0000480400000000, 0.0000000000000000, 0.0001401800000000 ] - [ -0.0001044100000000, -0.0000904800000000, 0.0000605400000000 ] - [ 0.0013282300000000, 0.0000000000000000, -0.0008073400000000 ] - [ -0.0004036200000000, 0.0000000000000000, 0.0002660400000000 ] - [ -0.0002151100000000, -0.0000166100000000, 0.0000725100000000 ] - [ 0.0002584200000000, 0.0000481200000000, 0.0000372400000000 ] - [ -0.0000509000000000, 0.0000000000000000, 0.0001049600000000 ] - [ 0.0034955500000000, -0.0003885400000000, 0.0043535200000000 ] - [ 0.1613531200000000, 0.0000000000000000, 0.0043991300000000 ] - [ 0.0034955500000000, 0.0003885400000000, 0.0043535200000000 ] - [ -0.0095134200000000, 0.0113839200000000, 0.0116066800000000 ] - [ -0.0111765600000000, -0.0060932900000000, -0.0095699200000000 ] - [ 0.0037431000000000, 0.0000000000000000, -0.0056736100000000 ] - [ 0.0016901700000000, 0.0000000000000000, -0.0028971600000000 ] - [ 0.0001065500000000, 0.0000000000000000, 0.0029325300000000 ] - [ 0.0006871300000000, -0.0000737300000000, 0.0005969600000000 ] - [ -0.0001658300000000, 0.0000000000000000, 0.0003258700000000 ] - [ 0.0006871300000000, 0.0000737300000000, 0.0005969600000000 ] - [ -0.0001044100000000, 0.0000904800000000, 0.0000605400000000 ] - [ 0.0000078800000000, 0.0000000000000000, -0.0007081100000000 ] - [ -0.0000335900000000, 0.0000000000000000, 0.0000436900000000 ] - [ 0.0000356700000000, -0.0000895000000000, 0.0000413300000000 ] - [ -0.0007001400000000, 0.0000000000000000, 0.0009167800000000 ] - [ 0.0001295800000000, 0.0000000000000000, -0.0001261700000000 ] - [ 0.0002584200000000, -0.0000481200000000, 0.0000372400000000 ] - [ -0.0002151100000000, 0.0000166100000000, 0.0000725100000000 ] - [ -0.0000792300000000, 0.0000000000000000, 0.0000826400000000 ] - [ -0.0033380700000000, 0.0004707000000000, -0.0016075000000000 ] - [ -0.0072328300000000, 0.0000000000000000, -0.0004127900000000 ] - [ -0.0033380700000000, -0.0004707000000000, -0.0016075000000000 ] - [ -0.0111765600000000, 0.0060932900000000, -0.0095699200000000 ] - [ -0.0095134200000000, -0.0113839200000000, 0.0116066800000000 ] - [ -0.0123346000000000, 0.0000000000000000, 0.0066387300000000 ] - [ 0.0003394200000000, 0.0001851200000000, 0.0014431500000000 ] - [ 0.0000635600000000, 0.0000000000000000, 0.0004465500000000 ] - [ -0.0001337200000000, -0.0002480000000000, -0.0011919900000000 ] - [ 0.0016724400000000, 0.0000000000000000, -0.0002805500000000 ] - [ -0.0001543200000000, 0.0000000000000000, -0.0002934900000000 ] - [ -0.0000127400000000, -0.0000215500000000, 0.0000686200000000 ] - [ 0.0009020400000000, 0.0000000000000000, -0.0000408700000000 ] - [ 0.0002024700000000, 0.0000169000000000, -0.0000978000000000 ] - [ -0.0001318600000000, 0.0000000000000000, 0.0000236300000000 ] - [ -0.0000127400000000, 0.0000215500000000, 0.0000686200000000 ] - [ -0.0001083600000000, 0.0000000000000000, 0.0000079400000000 ] - [ 0.0002024700000000, -0.0000169000000000, -0.0000978000000000 ] - [ -0.0000026700000000, 0.0000000000000000, -0.0000751900000000 ] - [ 0.0000090500000000, -0.0000544700000000, -0.0001493500000000 ] - [ 0.0000235500000000, 0.0000000000000000, -0.0001396500000000 ] - [ 0.0000235200000000, 0.0001098100000000, -0.0000250700000000 ] - [ -0.0001220800000000, 0.0000000000000000, 0.0001258500000000 ] - [ -0.0000401900000000, 0.0000553200000000, -0.0000661600000000 ] - [ -0.0000665600000000, 0.0000000000000000, -0.0000327900000000 ] - [ -0.0000156200000000, -0.0001046000000000, -0.0000150900000000 ] - [ 0.0001989000000000, 0.0000000000000000, -0.0002282300000000 ] - [ -0.0010323300000000, 0.0001736100000000, -0.0000629700000000 ] - [ -0.0001364900000000, 0.0000000000000000, -0.0001846400000000 ] - [ -0.0001689500000000, -0.0000963300000000, -0.0001800100000000 ] - [ -0.0089952600000000, 0.0000000000000000, -0.0057529900000000 ] - [ 0.0010982300000000, 0.0000384800000000, -0.0003929600000000 ] - [ -0.0008825500000000, 0.0000000000000000, -0.0004252600000000 ] - [ -0.0001689500000000, 0.0000963300000000, -0.0001800100000000 ] - [ -0.0048451900000000, 0.0000000000000000, -0.0017050600000000 ] - [ -0.0232879200000000, 0.0328126400000000, -0.0093915800000000 ] - [ -0.0004216500000000, 0.0000000000000000, -0.0016508200000000 ] - [ 0.0028530000000000, -0.0016616200000000, 0.0048501200000000 ] - [ -0.0000401300000000, 0.0000000000000000, 0.0054149700000000 ] - [ -0.0232879200000000, -0.0328126400000000, -0.0093915800000000 ] - [ 0.0063254500000000, 0.0000000000000000, -0.0005456500000000 ] - [ 0.0019081500000000, 0.0012275600000000, -0.0045096400000000 ] - [ 0.0013372700000000, 0.0000000000000000, -0.0013616700000000 ] - [ -0.0029643800000000, 0.0000000000000000, -0.0002050000000000 ] - [ -0.0045942500000000, 0.0021310100000000, -0.0033734200000000 ] - [ -0.0045942500000000, -0.0021310100000000, -0.0033734200000000 ] - [ -0.0001337200000000, 0.0002480000000000, -0.0011919900000000 ] - [ -0.0002029400000000, 0.0000000000000000, -0.0002847400000000 ] - [ 0.0003394200000000, -0.0001851200000000, 0.0014431500000000 ] - [ -0.0018123700000000, 0.0000000000000000, -0.0005521800000000 ] - [ 0.0000282300000000, 0.0000000000000000, 0.0002180900000000 ] - [ -0.0001187800000000, 0.0000138800000000, -0.0000500500000000 ] - [ -0.0009108700000000, 0.0000000000000000, -0.0002649800000000 ] - [ -0.0003498600000000, -0.0000010700000000, -0.0000382300000000 ] - [ -0.0001650200000000, 0.0000000000000000, 0.0000321600000000 ] - [ -0.0001187800000000, -0.0000138800000000, -0.0000500500000000 ] - [ 0.0000335300000000, 0.0000000000000000, -0.0000761900000000 ] - [ -0.0003498600000000, 0.0000010700000000, -0.0000382300000000 ] - [ -0.0000418500000000, 0.0000000000000000, -0.0000620900000000 ] - [ -0.0000401900000000, -0.0000553200000000, -0.0000661600000000 ] - [ -0.0000665400000000, 0.0000000000000000, -0.0000570700000000 ] - [ -0.0000156200000000, 0.0001046000000000, -0.0000150900000000 ] - [ 0.0001908300000000, 0.0000000000000000, -0.0001703600000000 ] - [ 0.0000090500000000, 0.0000544700000000, -0.0001493500000000 ] - [ 0.0000458900000000, 0.0000000000000000, 0.0000182900000000 ] - [ 0.0000235200000000, -0.0001098100000000, -0.0000250700000000 ] - [ -0.0003572800000000, 0.0000000000000000, 0.0001462800000000 ] - [ 0.0010982300000000, -0.0000384800000000, -0.0003929600000000 ] - [ -0.0000160500000000, 0.0000000000000000, -0.0000870800000000 ] - [ 0.0002707800000000, 0.0000642500000000, 0.0003141500000000 ] - [ 0.0030128600000000, 0.0000000000000000, 0.0004784500000000 ] - [ -0.0010323300000000, -0.0001736100000000, -0.0000629700000000 ] - [ 0.0003710700000000, 0.0000000000000000, 0.0013668100000000 ] - [ 0.0002707800000000, -0.0000642500000000, 0.0003141500000000 ] - [ 0.0046349700000000, 0.0000000000000000, -0.0004488100000000 ] - [ 0.0076038900000000, -0.0023053600000000, 0.0009332700000000 ] - [ 0.0004840700000000, 0.0000000000000000, 0.0014508500000000 ] - [ 0.0019081500000000, -0.0012275600000000, -0.0045096400000000 ] - [ 0.0039758400000000, 0.0000000000000000, -0.0056647500000000 ] - [ 0.0076038900000000, 0.0023053600000000, 0.0009332700000000 ] - [ -0.0791363300000000, 0.0000000000000000, 0.0166744700000000 ] - [ 0.0028530000000000, 0.0016616200000000, 0.0048501200000000 ] - [ 0.0015043800000000, 0.0000000000000000, 0.0060264200000000 ] - [ 0.0080024000000000, 0.0000000000000000, 0.0012681100000000 ] - [ 0.0031316800000000, 0.0005301000000000, 0.0011506100000000 ] - [ 0.0031316800000000, -0.0005301000000000, 0.0011506100000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000355500000000, 0.0000143600000000, -0.0000761300000000 ] - [ -0.0000763400000000, 0.0000848400000000, -0.0000165000000000 ] - [ -0.0000601200000000, 0.0000026300000000, -0.0000086000000000 ] - [ -0.0000986600000000, 0.0000159100000000, 0.0000433600000000 ] - [ -0.0000074100000000, 0.0000123400000000, -0.0000155700000000 ] - [ 0.0000356500000000, 0.0000017900000000, -0.0000035300000000 ] - [ 0.0000198300000000, 0.0013208000000000, 0.0000201700000000 ] - [ 0.0000002600000000, 0.0001749800000000, -0.0000311200000000 ] - [ -0.0000601200000000, 0.0185454900000000, -0.0000889600000000 ] - [ 0.0000634600000000, 0.0180755700000000, -0.0000405700000000 ] - [ 0.0000305300000000, -0.0023337900000000, -0.0000673500000000 ] - [ -0.0000746100000000, 0.0001477200000000, -0.0000175700000000 ] - [ -0.0000595700000000, 0.0000021700000000, -0.0000085600000000 ] - [ -0.0000986800000000, 0.0000106700000000, 0.0000431700000000 ] - [ -0.0000069800000000, 0.0000064900000000, -0.0000154000000000 ] - [ 0.0000351500000000, 0.0000035900000000, -0.0000032700000000 ] - [ 0.0000073300000000, -0.0006194400000000, 0.0000048400000000 ] - [ 0.0000019000000000, 0.0000897900000000, -0.0000301300000000 ] - [ -0.0000228000000000, 0.0003066000000000, -0.0000386100000000 ] - [ 0.0001042100000000, -0.0005474700000000, -0.0000316000000000 ] - [ 0.0000657900000000, -0.0004560900000000, -0.0000155000000000 ] - [ 0.0000795800000000, 0.0001977700000000, -0.0000002400000000 ] - [ -0.0000741900000000, -0.0001586600000000, -0.0000615000000000 ] - [ -0.0001563400000000, -0.0000082700000000, 0.0000632600000000 ] - [ 0.0001065000000000, 0.0001445300000000, 0.0000376500000000 ] - [ -0.0000357900000000, 0.0000904600000000, -0.0000108300000000 ] - [ -0.0000024600000000, -0.0000333300000000, 0.0000218800000000 ] - [ -0.0000424700000000, -0.0000040600000000, 0.0000293500000000 ] - [ -0.0000319000000000, -0.0000910500000000, -0.0000072600000000 ] - [ 0.0000557100000000, -0.0004351500000000, -0.0000573200000000 ] - [ -0.0001723200000000, -0.0000415600000000, 0.0000047900000000 ] - [ 0.0000192800000000, -0.0000401500000000, -0.0000177500000000 ] - [ 0.0000368800000000, 0.0000409000000000, 0.0000130700000000 ] - [ -0.0000651200000000, -0.0000011900000000, 0.0000302700000000 ] - [ -0.0006671500000000, 0.0004307700000000, -0.0049290800000000 ] - [ 0.0023678100000000, -0.1688905500000000, 0.0015990900000000 ] - [ 0.0009339200000000, 0.0003814600000000, 0.0049224700000000 ] - [ -0.0051273500000000, 0.0005435800000000, 0.0009398700000000 ] - [ 0.0129643300000000, 0.0005974200000000, 0.0090097500000000 ] - [ 0.0000982600000000, 0.0094394200000000, 0.0000232300000000 ] - [ 0.0000612600000000, -0.0004854600000000, -0.0000147600000000 ] - [ 0.0000792000000000, 0.0022391000000000, -0.0000074400000000 ] - [ -0.0001190700000000, -0.0001507300000000, -0.0001608800000000 ] - [ -0.0001548600000000, -0.0000053100000000, 0.0000616500000000 ] - [ 0.0001487700000000, 0.0001512200000000, 0.0001339900000000 ] - [ -0.0000360000000000, 0.0000910000000000, -0.0000114100000000 ] - [ -0.0000024500000000, 0.0000404500000000, 0.0000204400000000 ] - [ -0.0000423400000000, -0.0000072900000000, 0.0000290500000000 ] - [ -0.0000326300000000, -0.0000908800000000, -0.0000074800000000 ] - [ 0.0000571100000000, -0.0003336900000000, -0.0000603000000000 ] - [ -0.0001728400000000, -0.0000233500000000, 0.0000046100000000 ] - [ 0.0000089000000000, -0.0000419800000000, -0.0000365300000000 ] - [ 0.0000269700000000, 0.0000410800000000, -0.0000047800000000 ] - [ -0.0000646200000000, 0.0000001500000000, 0.0000304700000000 ] - [ 0.0005307500000000, -0.0000027100000000, 0.0003186400000000 ] - [ -0.0000297900000000, -0.0009114300000000, -0.0000083000000000 ] - [ -0.0002556300000000, 0.0000230900000000, -0.0003529400000000 ] - [ -0.0129405800000000, 0.0006443800000000, -0.0091099400000000 ] - [ 0.0052023400000000, 0.0004424700000000, -0.0010376800000000 ] - [ 0.0000534000000000, -0.0041506300000000, -0.0000223000000000 ] - [ 0.0001393600000000, 0.0000335300000000, 0.0002452600000000 ] - [ -0.0001028400000000, -0.0000433600000000, 0.0001382700000000 ] - [ 0.0002063900000000, -0.0000296300000000, -0.0004270900000000 ] - [ -0.0000347800000000, -0.0000023500000000, -0.0000072000000000 ] - [ -0.0000730800000000, 0.0000367300000000, -0.0000374200000000 ] - [ -0.0000636800000000, -0.0000102300000000, 0.0000492100000000 ] - [ 0.0000759400000000, 0.0000017100000000, -0.0001173200000000 ] - [ -0.0000791100000000, -0.0000046300000000, 0.0000186600000000 ] - [ -0.0001510400000000, -0.0000004100000000, 0.0000796600000000 ] - [ -0.0000636900000000, 0.0000082800000000, 0.0000368500000000 ] - [ -0.0000446500000000, -0.0000014400000000, 0.0000091100000000 ] - [ -0.0000300700000000, 0.0000011500000000, -0.0000443400000000 ] - [ -0.0000288700000000, 0.0000004400000000, -0.0000315600000000 ] - [ -0.0000094700000000, -0.0000574400000000, -0.0000723200000000 ] - [ -0.0000216700000000, 0.0000024100000000, -0.0000473800000000 ] - [ 0.0000089800000000, 0.0001107400000000, 0.0000173400000000 ] - [ 0.0000643400000000, 0.0000780600000000, 0.0000154200000000 ] - [ -0.0000079900000000, 0.0000612100000000, -0.0000628600000000 ] - [ -0.0000153200000000, 0.0000019300000000, 0.0000256700000000 ] - [ 0.0000087500000000, -0.0001104500000000, 0.0000163800000000 ] - [ -0.0000855900000000, -0.0000119500000000, 0.0000166700000000 ] - [ -0.0005936100000000, 0.0003401000000000, -0.0007547700000000 ] - [ -0.0000789900000000, -0.0000007500000000, -0.0000819800000000 ] - [ 0.0000518100000000, -0.0000039300000000, 0.0000688300000000 ] - [ 0.0001379800000000, 0.0068440400000000, -0.0002402700000000 ] - [ -0.0002354300000000, -0.0000203100000000, 0.0001994300000000 ] - [ 0.0000069400000000, -0.0000102500000000, 0.0000473700000000 ] - [ 0.0000237000000000, -0.0000127800000000, 0.0001352200000000 ] - [ 0.0000430300000000, -0.0061956100000000, -0.0000393700000000 ] - [ -0.0293453200000000, 0.0673333400000000, -0.0197722300000000 ] - [ 0.0000286700000000, -0.0003407100000000, 0.0000068600000000 ] - [ 0.0012900000000000, -0.0004872500000000, 0.0007908700000000 ] - [ -0.0000126300000000, -0.0054851700000000, 0.0001120600000000 ] - [ 0.0272958000000000, 0.0640292900000000, 0.0183638300000000 ] - [ 0.0001460900000000, -0.0060345500000000, -0.0000333200000000 ] - [ -0.0018651100000000, -0.0005729500000000, 0.0032352200000000 ] - [ -0.0000160900000000, -0.0004618700000000, 0.0001199300000000 ] - [ -0.0000303200000000, -0.0064708000000000, 0.0000090600000000 ] - [ -0.0026432300000000, -0.0013954000000000, 0.0031230200000000 ] - [ 0.0027316000000000, -0.0014659100000000, -0.0030392600000000 ] - [ -0.0002561000000000, 0.0002331900000000, 0.0004276200000000 ] - [ -0.0001024800000000, -0.0000448300000000, 0.0001399000000000 ] - [ -0.0001897100000000, -0.0002297500000000, -0.0002509600000000 ] - [ -0.0000307600000000, -0.0002140300000000, -0.0000072200000000 ] - [ -0.0000733200000000, 0.0000277300000000, -0.0000381200000000 ] - [ -0.0000634500000000, -0.0000098000000000, 0.0000477600000000 ] - [ 0.0000785200000000, 0.0001430400000000, -0.0001163400000000 ] - [ -0.0000569000000000, -0.0000042500000000, 0.0000110800000000 ] - [ -0.0001510000000000, 0.0000003800000000, 0.0000797200000000 ] - [ -0.0000641300000000, 0.0000083500000000, 0.0000386600000000 ] - [ -0.0000447900000000, -0.0000023900000000, 0.0000090600000000 ] - [ -0.0000507700000000, 0.0000017000000000, -0.0000373000000000 ] - [ -0.0000290900000000, -0.0000004800000000, -0.0000307200000000 ] - [ -0.0000147900000000, -0.0000574700000000, -0.0000768900000000 ] - [ -0.0000212300000000, 0.0000016700000000, -0.0000475900000000 ] - [ 0.0000090500000000, 0.0001105900000000, 0.0000174900000000 ] - [ 0.0000642600000000, 0.0000151000000000, 0.0000161100000000 ] - [ -0.0000125400000000, 0.0000577700000000, -0.0000669500000000 ] - [ -0.0000149100000000, -0.0000004700000000, 0.0000254900000000 ] - [ 0.0000083700000000, -0.0001104300000000, 0.0000154000000000 ] - [ -0.0000863300000000, -0.0000662600000000, 0.0000176600000000 ] - [ 0.0001802800000000, 0.0000143400000000, -0.0002728200000000 ] - [ -0.0000789100000000, 0.0000011400000000, -0.0000811500000000 ] - [ 0.0000604800000000, 0.0000052700000000, 0.0000957200000000 ] - [ 0.0001315000000000, -0.0003619100000000, -0.0000269400000000 ] - [ 0.0005384200000000, 0.0003234700000000, 0.0006874500000000 ] - [ 0.0000139400000000, -0.0002268700000000, 0.0000399300000000 ] - [ 0.0000158200000000, -0.0000011400000000, 0.0001082000000000 ] - [ 0.0000386100000000, 0.0004019300000000, 0.0000110600000000 ] - [ -0.0006107600000000, 0.0002870100000000, -0.0002428500000000 ] - [ 0.0000255100000000, 0.0002813700000000, 0.0000136700000000 ] - [ 0.0021069600000000, -0.0004329500000000, -0.0032897400000000 ] - [ -0.0000117800000000, 0.0000107200000000, 0.0001171100000000 ] - [ 0.0006489600000000, 0.0002602000000000, 0.0002407300000000 ] - [ -0.0000621100000000, 0.0062516100000000, 0.0000435200000000 ] - [ -0.0010640300000000, -0.0005857200000000, -0.0008331200000000 ] - [ -0.0000104600000000, 0.0048725500000000, 0.0001160500000000 ] - [ 0.0000192800000000, 0.0048385900000000, -0.0000112200000000 ] - [ 0.0001148900000000, 0.0000564500000000, 0.0000911000000000 ] - [ -0.0000207400000000, 0.0000010100000000, -0.0000294200000000 ]- atom: 36 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0002273400000000, 0.0000000000000000, 0.0005031400000000 ] - [ -0.0000736300000000, 0.0000000000000000, 0.0016026500000000 ] - [ -0.0000477700000000, 0.0000000000000000, 0.0014394300000000 ] - [ -0.0000120000000000, 0.0000000000000000, 0.0016437900000000 ] - [ -0.0002279400000000, 0.0000000000000000, 0.0015835100000000 ] - [ 0.0000591800000000, 0.0000000000000000, 0.0016229100000000 ] - [ -0.0016433300000000, 0.0000000000000000, -0.0002904000000000 ] - [ 0.0000431300000000, 0.0000000000000000, 0.0031534600000000 ] - [ -0.0021342100000000, 0.0000000000000000, 0.0022020400000000 ] - [ 0.0006942100000000, 0.0000000000000000, -0.0143778800000000 ] - [ -0.0006112300000000, 0.0000000000000000, 0.0086159900000000 ] - [ -0.0003708400000000, 0.0000000000000000, 0.0013401300000000 ] - [ -0.0000520100000000, 0.0000000000000000, 0.0014207700000000 ] - [ -0.0000667100000000, 0.0000000000000000, 0.0017407900000000 ] - [ 0.0003938700000000, 0.0000000000000000, 0.0013193300000000 ] - [ 0.0001284700000000, 0.0000000000000000, 0.0017066000000000 ] - [ 0.0094762600000000, 0.0000000000000000, 0.0066505700000000 ] - [ 0.0001869500000000, 0.0000000000000000, 0.0008521100000000 ] - [ 0.0007112500000000, 0.0000000000000000, -0.0016935600000000 ] - [ 0.0019065200000000, 0.0000000000000000, -0.0079525100000000 ] - [ -0.0008486700000000, 0.0000000000000000, 0.0010250700000000 ] - [ 0.0031028500000000, 0.0000000000000000, 0.0026189100000000 ] - [ 0.0005322100000000, -0.0001320700000000, 0.0020163500000000 ] - [ -0.0002000700000000, 0.0000000000000000, 0.0024408800000000 ] - [ 0.0005322100000000, 0.0001320700000000, 0.0020163500000000 ] - [ 0.0000417800000000, -0.0000211000000000, 0.0022737500000000 ] - [ -0.0009188500000000, 0.0000000000000000, 0.0025235600000000 ] - [ -0.0002817300000000, 0.0000000000000000, 0.0024437100000000 ] - [ 0.0000042900000000, 0.0000068100000000, 0.0022200800000000 ] - [ 0.0026160200000000, 0.0000000000000000, 0.0022674300000000 ] - [ -0.0003613600000000, 0.0000000000000000, 0.0023516400000000 ] - [ -0.0000778700000000, -0.0002145400000000, 0.0019640900000000 ] - [ 0.0001130700000000, 0.0003007900000000, 0.0026073100000000 ] - [ -0.0001515800000000, 0.0000000000000000, 0.0024853000000000 ] - [ -0.0083074300000000, -0.0119679900000000, 0.0111049000000000 ] - [ -0.0259496400000000, 0.0000000000000000, -0.1532505200000000 ] - [ -0.0083074300000000, 0.0119679900000000, 0.0111049000000000 ] - [ -0.0066236600000000, 0.0027893700000000, -0.0020029500000000 ] - [ 0.0106798800000000, 0.0043760100000000, 0.0017074400000000 ] - [ 0.0049673400000000, 0.0000000000000000, -0.0104088000000000 ] - [ 0.0005712000000000, 0.0000000000000000, 0.0023248000000000 ] - [ -0.0022354300000000, 0.0000000000000000, 0.0034526800000000 ] - [ -0.0001129000000000, -0.0000742800000000, 0.0025620100000000 ] - [ -0.0002692000000000, 0.0000000000000000, 0.0024792000000000 ] - [ -0.0001129000000000, 0.0000742800000000, 0.0025620100000000 ] - [ 0.0000042900000000, -0.0000068100000000, 0.0022200800000000 ] - [ 0.0007219500000000, 0.0000000000000000, 0.0015151600000000 ] - [ 0.0000386600000000, 0.0000000000000000, 0.0023678300000000 ] - [ 0.0000417800000000, 0.0000211000000000, 0.0022737500000000 ] - [ -0.0029560900000000, 0.0000000000000000, 0.0014259300000000 ] - [ -0.0001315500000000, 0.0000000000000000, 0.0025016800000000 ] - [ 0.0001130700000000, -0.0003007900000000, 0.0026073100000000 ] - [ -0.0000778700000000, 0.0002145400000000, 0.0019640900000000 ] - [ -0.0001154000000000, 0.0000000000000000, 0.0023184800000000 ] - [ 0.0019910400000000, -0.0000677000000000, -0.0014804100000000 ] - [ 0.0014065400000000, 0.0000000000000000, -0.0074413300000000 ] - [ 0.0019910400000000, 0.0000677000000000, -0.0014804100000000 ] - [ 0.0106798800000000, -0.0043760100000000, 0.0017074400000000 ] - [ -0.0066236600000000, -0.0027893700000000, -0.0020029500000000 ] - [ -0.0045600200000000, 0.0000000000000000, -0.0107834800000000 ] - [ -0.0006178900000000, -0.0000490000000000, -0.0017631900000000 ] - [ -0.0001330800000000, 0.0000000000000000, -0.0018098100000000 ] - [ 0.0004959300000000, 0.0000412200000000, -0.0014866500000000 ] - [ -0.0000669000000000, 0.0000000000000000, -0.0009860000000000 ] - [ 0.0002721600000000, 0.0000000000000000, -0.0015369200000000 ] - [ -0.0002549100000000, 0.0001374200000000, -0.0013299000000000 ] - [ 0.0000071100000000, 0.0000000000000000, -0.0012322100000000 ] - [ -0.0001319700000000, -0.0001007700000000, -0.0012921000000000 ] - [ -0.0000448900000000, 0.0000000000000000, -0.0019003100000000 ] - [ -0.0002549100000000, -0.0001374200000000, -0.0013299000000000 ] - [ 0.0001940900000000, 0.0000000000000000, -0.0014515800000000 ] - [ -0.0001319700000000, 0.0001007700000000, -0.0012921000000000 ] - [ 0.0002534500000000, 0.0000000000000000, -0.0014650400000000 ] - [ -0.0000684300000000, 0.0000814100000000, -0.0014136500000000 ] - [ 0.0000799100000000, 0.0000000000000000, -0.0019757300000000 ] - [ -0.0001510800000000, -0.0000270800000000, -0.0013279800000000 ] - [ -0.0002619900000000, 0.0000000000000000, -0.0026991800000000 ] - [ -0.0003390900000000, -0.0001298300000000, -0.0015248100000000 ] - [ 0.0003001000000000, 0.0000000000000000, -0.0015567200000000 ] - [ -0.0001889100000000, 0.0000429600000000, -0.0013993000000000 ] - [ 0.0004733000000000, 0.0000000000000000, -0.0010897500000000 ] - [ -0.0025920900000000, 0.0023589600000000, -0.0044490400000000 ] - [ 0.0000199900000000, 0.0000000000000000, -0.0021635100000000 ] - [ 0.0000557900000000, -0.0000185900000000, -0.0016551400000000 ] - [ 0.0083232400000000, 0.0000000000000000, 0.0846019600000000 ] - [ 0.0008194200000000, 0.0002612600000000, 0.0002205600000000 ] - [ 0.0045900400000000, 0.0000000000000000, -0.0047838900000000 ] - [ 0.0000557900000000, 0.0000185900000000, -0.0016551400000000 ] - [ 0.0003261200000000, 0.0000000000000000, 0.0044118800000000 ] - [ 0.0125929500000000, -0.0259928300000000, 0.0191233700000000 ] - [ 0.0012212700000000, 0.0000000000000000, -0.0008292000000000 ] - [ -0.0046930800000000, 0.0018148000000000, 0.0022592800000000 ] - [ -0.0012020100000000, 0.0000000000000000, -0.0010575700000000 ] - [ 0.0125929500000000, 0.0259928300000000, 0.0191233700000000 ] - [ -0.0043511400000000, 0.0000000000000000, 0.0039361900000000 ] - [ 0.0054549600000000, 0.0018131200000000, 0.0047308800000000 ] - [ 0.0015577700000000, 0.0000000000000000, 0.0011691100000000 ] - [ 0.0023741500000000, 0.0000000000000000, 0.0069317800000000 ] - [ 0.0037168800000000, 0.0029740100000000, -0.0029739500000000 ] - [ 0.0037168800000000, -0.0029740100000000, -0.0029739500000000 ] - [ 0.0004959300000000, -0.0000412200000000, -0.0014866500000000 ] - [ 0.0000796900000000, 0.0000000000000000, -0.0018698200000000 ] - [ -0.0006178900000000, 0.0000490000000000, -0.0017631900000000 ] - [ -0.0001904600000000, 0.0000000000000000, -0.0022168200000000 ] - [ 0.0000045000000000, 0.0000000000000000, -0.0014447300000000 ] - [ -0.0002392300000000, 0.0001385900000000, -0.0013564300000000 ] - [ 0.0002266600000000, 0.0000000000000000, -0.0023346500000000 ] - [ -0.0002708400000000, -0.0001159900000000, -0.0015151300000000 ] - [ -0.0000878200000000, 0.0000000000000000, -0.0019217800000000 ] - [ -0.0002392300000000, -0.0001385900000000, -0.0013564300000000 ] - [ 0.0002374600000000, 0.0000000000000000, -0.0014046200000000 ] - [ -0.0002708400000000, 0.0001159900000000, -0.0015151300000000 ] - [ 0.0001903300000000, 0.0000000000000000, -0.0014650100000000 ] - [ -0.0003390900000000, 0.0001298300000000, -0.0015248100000000 ] - [ 0.0000415100000000, 0.0000000000000000, -0.0020537200000000 ] - [ -0.0001889100000000, -0.0000429600000000, -0.0013993000000000 ] - [ 0.0006295200000000, 0.0000000000000000, -0.0018579400000000 ] - [ -0.0000684300000000, -0.0000814100000000, -0.0014136500000000 ] - [ 0.0002352200000000, 0.0000000000000000, -0.0013122500000000 ] - [ -0.0001510800000000, 0.0000270800000000, -0.0013279800000000 ] - [ -0.0003431900000000, 0.0000000000000000, -0.0016442800000000 ] - [ 0.0008194200000000, -0.0002612600000000, 0.0002205600000000 ] - [ -0.0000108000000000, 0.0000000000000000, -0.0018698600000000 ] - [ -0.0002331700000000, -0.0001052400000000, -0.0008428200000000 ] - [ -0.0003101000000000, 0.0000000000000000, 0.0042565100000000 ] - [ -0.0025920900000000, -0.0023589600000000, -0.0044490400000000 ] - [ -0.0015239500000000, 0.0000000000000000, 0.0001328900000000 ] - [ -0.0002331700000000, 0.0001052400000000, -0.0008428200000000 ] - [ -0.0006452300000000, 0.0000000000000000, 0.0029528400000000 ] - [ 0.0006420000000000, -0.0006590500000000, 0.0032307500000000 ] - [ -0.0011723600000000, 0.0000000000000000, -0.0002778800000000 ] - [ 0.0054549600000000, -0.0018131200000000, 0.0047308800000000 ] - [ 0.0008432500000000, 0.0000000000000000, 0.0010744000000000 ] - [ 0.0006420000000000, 0.0006590500000000, 0.0032307500000000 ] - [ -0.0073645700000000, 0.0000000000000000, 0.0120839200000000 ] - [ -0.0046930800000000, -0.0018148000000000, 0.0022592800000000 ] - [ -0.0058519200000000, 0.0000000000000000, -0.0042491600000000 ] - [ -0.0039833100000000, 0.0000000000000000, 0.0058793200000000 ] - [ -0.0012224400000000, -0.0003202900000000, 0.0004367800000000 ] - [ -0.0012224400000000, 0.0003202900000000, 0.0004367800000000 ]- atom: 36 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0001614200000000, 0.0000000000000000, -0.0006547300000000 ] - [ -0.0000844600000000, 0.0000000000000000, -0.0016359200000000 ] - [ -0.0000700200000000, 0.0000000000000000, -0.0014584200000000 ] - [ -0.0001878100000000, 0.0000000000000000, -0.0015555700000000 ] - [ 0.0002126800000000, 0.0000000000000000, -0.0016150100000000 ] - [ 0.0000116800000000, 0.0000000000000000, -0.0016292100000000 ] - [ 0.0016842500000000, 0.0000000000000000, 0.0003316300000000 ] - [ -0.0000398900000000, 0.0000000000000000, -0.0032129500000000 ] - [ 0.0020656000000000, 0.0000000000000000, -0.0022146000000000 ] - [ -0.0004354200000000, 0.0000000000000000, 0.0142805900000000 ] - [ 0.0006879000000000, 0.0000000000000000, -0.0088548600000000 ] - [ 0.0002152700000000, 0.0000000000000000, -0.0013730000000000 ] - [ -0.0000647900000000, 0.0000000000000000, -0.0014397400000000 ] - [ -0.0001324900000000, 0.0000000000000000, -0.0016536400000000 ] - [ -0.0004075600000000, 0.0000000000000000, -0.0013495100000000 ] - [ -0.0000576000000000, 0.0000000000000000, -0.0017135600000000 ] - [ -0.0094052000000000, 0.0000000000000000, -0.0065213600000000 ] - [ -0.0001824200000000, 0.0000000000000000, -0.0009120200000000 ] - [ -0.0007649600000000, 0.0000000000000000, 0.0016329500000000 ] - [ -0.0016661100000000, 0.0000000000000000, 0.0078639200000000 ] - [ 0.0009714400000000, 0.0000000000000000, -0.0010462600000000 ] - [ -0.0029640000000000, 0.0000000000000000, -0.0026328300000000 ] - [ -0.0004980700000000, -0.0001706600000000, -0.0020435300000000 ] - [ -0.0001170100000000, 0.0000000000000000, -0.0023170500000000 ] - [ -0.0004980700000000, 0.0001706600000000, -0.0020435300000000 ] - [ -0.0001117100000000, 0.0002005900000000, -0.0022952700000000 ] - [ 0.0009198600000000, 0.0000000000000000, -0.0024775500000000 ] - [ 0.0001895000000000, 0.0000000000000000, -0.0023932600000000 ] - [ -0.0000746500000000, -0.0001865800000000, -0.0022413900000000 ] - [ -0.0025128700000000, 0.0000000000000000, -0.0023874700000000 ] - [ 0.0000250900000000, 0.0000000000000000, -0.0023438600000000 ] - [ 0.0001233000000000, 0.0001322800000000, -0.0019879700000000 ] - [ -0.0000678000000000, -0.0002187400000000, -0.0026312200000000 ] - [ 0.0000279100000000, 0.0000000000000000, -0.0024228700000000 ] - [ 0.0085390600000000, 0.0118928900000000, -0.0110218500000000 ] - [ 0.0263537400000000, 0.0000000000000000, 0.1470839300000000 ] - [ 0.0085390600000000, -0.0118928900000000, -0.0110218500000000 ] - [ 0.0066750200000000, -0.0027394400000000, 0.0019948600000000 ] - [ -0.0106625600000000, -0.0044552600000000, -0.0017363500000000 ] - [ -0.0048701500000000, 0.0000000000000000, 0.0103123600000000 ] - [ -0.0004595200000000, 0.0000000000000000, -0.0023484400000000 ] - [ 0.0024212000000000, 0.0000000000000000, -0.0034710700000000 ] - [ 0.0001510700000000, -0.0002282000000000, -0.0025929600000000 ] - [ -0.0000444300000000, 0.0000000000000000, -0.0023582200000000 ] - [ 0.0001510700000000, 0.0002282000000000, -0.0025929600000000 ] - [ -0.0000746500000000, 0.0001865800000000, -0.0022413900000000 ] - [ -0.0007198000000000, 0.0000000000000000, -0.0014696500000000 ] - [ -0.0001307700000000, 0.0000000000000000, -0.0023172500000000 ] - [ -0.0001117100000000, -0.0002005900000000, -0.0022952700000000 ] - [ 0.0030574500000000, 0.0000000000000000, -0.0015512100000000 ] - [ -0.0002066800000000, 0.0000000000000000, -0.0024947900000000 ] - [ -0.0000678000000000, 0.0002187400000000, -0.0026312200000000 ] - [ 0.0001233000000000, -0.0001322800000000, -0.0019879700000000 ] - [ -0.0000077200000000, 0.0000000000000000, -0.0022561000000000 ] - [ -0.0017070700000000, 0.0000391900000000, 0.0014468400000000 ] - [ -0.0014841000000000, 0.0000000000000000, 0.0074114000000000 ] - [ -0.0017070700000000, -0.0000391900000000, 0.0014468400000000 ] - [ -0.0106625600000000, 0.0044552600000000, -0.0017363500000000 ] - [ 0.0066750200000000, 0.0027394400000000, 0.0019948600000000 ] - [ 0.0046712600000000, 0.0000000000000000, 0.0107130700000000 ] - [ 0.0005677700000000, 0.0003276600000000, 0.0017527700000000 ] - [ -0.0000663300000000, 0.0000000000000000, 0.0020958600000000 ] - [ -0.0005526600000000, -0.0003172900000000, 0.0014748900000000 ] - [ 0.0000150600000000, 0.0000000000000000, 0.0009587800000000 ] - [ -0.0004328900000000, 0.0000000000000000, 0.0014636900000000 ] - [ 0.0001302200000000, -0.0001625600000000, 0.0014198900000000 ] - [ 0.0001423600000000, 0.0000000000000000, 0.0009825100000000 ] - [ 0.0000218000000000, 0.0001059200000000, 0.0012700900000000 ] - [ -0.0002582200000000, 0.0000000000000000, 0.0020603600000000 ] - [ 0.0001302200000000, 0.0001625600000000, 0.0014198900000000 ] - [ -0.0002859700000000, 0.0000000000000000, 0.0014742300000000 ] - [ 0.0000218000000000, -0.0001059200000000, 0.0012700900000000 ] - [ -0.0003172500000000, 0.0000000000000000, 0.0014036900000000 ] - [ 0.0000500100000000, -0.0002077200000000, 0.0012785900000000 ] - [ -0.0001250600000000, 0.0000000000000000, 0.0018712200000000 ] - [ 0.0001693200000000, 0.0002485600000000, 0.0013629600000000 ] - [ 0.0003898800000000, 0.0000000000000000, 0.0027302800000000 ] - [ 0.0003207100000000, 0.0002562800000000, 0.0013897700000000 ] - [ -0.0003362400000000, 0.0000000000000000, 0.0016100800000000 ] - [ 0.0002071700000000, -0.0002648200000000, 0.0014345400000000 ] - [ -0.0006407900000000, 0.0000000000000000, 0.0011262200000000 ] - [ 0.0025439200000000, -0.0023403000000000, 0.0043779100000000 ] - [ -0.0001778500000000, 0.0000000000000000, 0.0020019100000000 ] - [ 0.0000166000000000, 0.0000178000000000, 0.0018588700000000 ] - [ -0.0079173900000000, 0.0000000000000000, -0.0793242700000000 ] - [ -0.0008721800000000, -0.0002867600000000, -0.0002881300000000 ] - [ -0.0045769200000000, 0.0000000000000000, 0.0048685800000000 ] - [ 0.0000166000000000, -0.0000178000000000, 0.0018588700000000 ] - [ -0.0002386400000000, 0.0000000000000000, -0.0043803500000000 ] - [ -0.0126802600000000, 0.0263742900000000, -0.0189719000000000 ] - [ -0.0011672700000000, 0.0000000000000000, 0.0008649000000000 ] - [ 0.0048794600000000, -0.0016821100000000, -0.0022960900000000 ] - [ 0.0011701200000000, 0.0000000000000000, 0.0012700600000000 ] - [ -0.0126802600000000, -0.0263742900000000, -0.0189719000000000 ] - [ 0.0046524000000000, 0.0000000000000000, -0.0040076800000000 ] - [ -0.0052139900000000, -0.0019199100000000, -0.0047565000000000 ] - [ -0.0015968700000000, 0.0000000000000000, -0.0009599500000000 ] - [ -0.0023206300000000, 0.0000000000000000, -0.0069635900000000 ] - [ -0.0036503300000000, -0.0029483500000000, 0.0030386900000000 ] - [ -0.0036503300000000, 0.0029483500000000, 0.0030386900000000 ] - [ -0.0005526600000000, 0.0003172900000000, 0.0014748900000000 ] - [ -0.0002802200000000, 0.0000000000000000, 0.0021563100000000 ] - [ 0.0005677700000000, -0.0003276600000000, 0.0017527700000000 ] - [ 0.0001412100000000, 0.0000000000000000, 0.0021965600000000 ] - [ -0.0001635600000000, 0.0000000000000000, 0.0013707800000000 ] - [ 0.0001150300000000, -0.0001643200000000, 0.0014466100000000 ] - [ -0.0000786400000000, 0.0000000000000000, 0.0020932200000000 ] - [ 0.0001616300000000, 0.0001214400000000, 0.0014946100000000 ] - [ -0.0002143300000000, 0.0000000000000000, 0.0020822300000000 ] - [ 0.0001150300000000, 0.0001643200000000, 0.0014466100000000 ] - [ -0.0003301000000000, 0.0000000000000000, 0.0014264700000000 ] - [ 0.0001616300000000, -0.0001214400000000, 0.0014946100000000 ] - [ -0.0002536400000000, 0.0000000000000000, 0.0014039600000000 ] - [ 0.0003207100000000, -0.0002562800000000, 0.0013897700000000 ] - [ -0.0000863600000000, 0.0000000000000000, 0.0019493700000000 ] - [ 0.0002071700000000, 0.0002648200000000, 0.0014345400000000 ] - [ -0.0005026300000000, 0.0000000000000000, 0.0018874000000000 ] - [ 0.0000500100000000, 0.0002077200000000, 0.0012785900000000 ] - [ -0.0002706400000000, 0.0000000000000000, 0.0013656200000000 ] - [ 0.0001693200000000, -0.0002485600000000, 0.0013629600000000 ] - [ 0.0001732800000000, 0.0000000000000000, 0.0016804500000000 ] - [ -0.0008721800000000, 0.0002867600000000, -0.0002881300000000 ] - [ -0.0001472900000000, 0.0000000000000000, 0.0017096500000000 ] - [ 0.0003065000000000, 0.0001049500000000, 0.0010475600000000 ] - [ 0.0005683400000000, 0.0000000000000000, -0.0042994800000000 ] - [ 0.0025439200000000, 0.0023403000000000, 0.0043779100000000 ] - [ 0.0015467700000000, 0.0000000000000000, -0.0000544900000000 ] - [ 0.0003065000000000, -0.0001049500000000, 0.0010475600000000 ] - [ 0.0007221600000000, 0.0000000000000000, -0.0029252000000000 ] - [ -0.0005853100000000, 0.0006889900000000, -0.0032234800000000 ] - [ 0.0012205200000000, 0.0000000000000000, 0.0003113200000000 ] - [ -0.0052139900000000, 0.0019199100000000, -0.0047565000000000 ] - [ -0.0008715200000000, 0.0000000000000000, -0.0008533100000000 ] - [ -0.0005853100000000, -0.0006889900000000, -0.0032234800000000 ] - [ 0.0074058300000000, 0.0000000000000000, -0.0120128800000000 ] - [ 0.0048794600000000, 0.0016821100000000, -0.0022960900000000 ] - [ 0.0058937500000000, 0.0000000000000000, 0.0044988500000000 ] - [ 0.0040066900000000, 0.0000000000000000, -0.0059097200000000 ] - [ 0.0013335800000000, 0.0003835200000000, -0.0003885600000000 ] - [ 0.0013335800000000, -0.0003835200000000, -0.0003885600000000 ]- atom: 38 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0049742300000000, -0.0032359300000000, -0.0051397800000000 ] - [ 0.0009836600000000, 0.0000993900000000, 0.0002175400000000 ] - [ 0.0000331000000000, 0.0000046000000000, -0.0000002600000000 ] - [ -0.0000461300000000, 0.0000437800000000, -0.0001126400000000 ] - [ 0.0001010300000000, 0.0000033500000000, -0.0000012400000000 ] - [ 0.0000340800000000, 0.0000016100000000, 0.0000443900000000 ] - [ 0.0014112700000000, 0.0000816100000000, 0.0005542500000000 ] - [ 0.0001111400000000, 0.0000311800000000, -0.0002308100000000 ] - [ 0.0168122000000000, 0.0132103600000000, -0.0018917200000000 ] - [ 0.0031076300000000, 0.0007251900000000, -0.0008927500000000 ] - [ 0.0068979800000000, -0.0068140000000000, 0.0050710900000000 ] - [ -0.0006148200000000, 0.0005065600000000, -0.0005414600000000 ] - [ -0.0001314300000000, 0.0000050200000000, 0.0000522600000000 ] - [ -0.0002296100000000, 0.0000335400000000, 0.0003447500000000 ] - [ -0.0000900100000000, 0.0000041400000000, 0.0000419200000000 ] - [ 0.0000364300000000, 0.0000015700000000, 0.0000373200000000 ] - [ -0.0005223400000000, 0.0003743600000000, -0.0007740400000000 ] - [ -0.0001768000000000, 0.0000328000000000, 0.0003309300000000 ] - [ 0.0166380100000000, 0.0134520200000000, -0.0020048700000000 ] - [ -0.0092914000000000, 0.0073249500000000, 0.0073754100000000 ] - [ -0.0040744600000000, -0.0012051900000000, -0.0079434900000000 ] - [ 0.0039057000000000, 0.0012314200000000, -0.0018619600000000 ] - [ 0.0007529100000000, -0.0003347300000000, -0.0011573500000000 ] - [ 0.0000360200000000, -0.0000081600000000, -0.0000933900000000 ] - [ 0.0009713500000000, 0.0003364100000000, -0.0009827200000000 ] - [ -0.0000426900000000, 0.0000651100000000, 0.0001206100000000 ] - [ 0.0002325000000000, -0.0000037800000000, -0.0000975700000000 ] - [ 0.0000114600000000, -0.0000017200000000, 0.0000613400000000 ] - [ -0.0000463700000000, -0.0000962600000000, -0.0000158400000000 ] - [ -0.0005222700000000, -0.0000980300000000, -0.0003430300000000 ] - [ -0.0006783800000000, -0.0001312400000000, -0.0001661400000000 ] - [ -0.0000035700000000, -0.0000753100000000, 0.0001415300000000 ] - [ 0.0000247800000000, 0.0000362000000000, -0.0000394000000000 ] - [ -0.0000116700000000, -0.0000017300000000, 0.0000611500000000 ] - [ 0.0013085300000000, -0.0000107300000000, -0.0011867000000000 ] - [ 0.0095295700000000, -0.0051186900000000, -0.0080689500000000 ] - [ 0.0014441100000000, 0.0000072600000000, -0.0010437200000000 ] - [ -0.1634350000000000, -0.0285543200000000, -0.0176505000000000 ] - [ 0.0086786600000000, 0.0001365000000000, 0.0005364400000000 ] - [ -0.0032087600000000, -0.0008127100000000, -0.0082625700000000 ] - [ 0.0038768200000000, 0.0003637200000000, 0.0009719100000000 ] - [ -0.0145220500000000, 0.0131766500000000, 0.0130321100000000 ] - [ -0.0021108000000000, -0.0000046300000000, 0.0011484400000000 ] - [ -0.0003405500000000, -0.0000179800000000, 0.0002490900000000 ] - [ -0.0012002000000000, 0.0000142200000000, 0.0023932400000000 ] - [ -0.0000516200000000, 0.0000961600000000, -0.0000259600000000 ] - [ -0.0002295000000000, -0.0000140400000000, 0.0001419800000000 ] - [ -0.0001031400000000, -0.0000013500000000, 0.0001083300000000 ] - [ -0.0000333700000000, -0.0000654700000000, 0.0001303400000000 ] - [ 0.0007928300000000, -0.0000767400000000, 0.0002883500000000 ] - [ 0.0005278000000000, -0.0000737400000000, 0.0003332500000000 ] - [ 0.0000187100000000, -0.0000362900000000, -0.0000457900000000 ] - [ 0.0000042400000000, 0.0000749400000000, 0.0001510000000000 ] - [ -0.0001135300000000, -0.0000014500000000, 0.0001176700000000 ] - [ -0.0024573100000000, -0.0005660700000000, 0.0012330900000000 ] - [ 0.0111910400000000, -0.0129952100000000, 0.0092130200000000 ] - [ -0.0017250200000000, 0.0005384700000000, 0.0024023200000000 ] - [ 0.0052020100000000, -0.0001860300000000, -0.0008564200000000 ] - [ -0.0233224400000000, -0.0008435400000000, 0.0100326000000000 ] - [ 0.0033987900000000, 0.0004169700000000, 0.0014344200000000 ] - [ -0.0016479700000000, 0.0005590000000000, 0.0003644400000000 ] - [ -0.0005167400000000, -0.0000116600000000, 0.0004806600000000 ] - [ 0.0039687300000000, 0.0008490400000000, -0.0008316500000000 ] - [ -0.0009718300000000, -0.0000184000000000, 0.0020120400000000 ] - [ 0.0005238100000000, 0.0001253300000000, -0.0003146500000000 ] - [ -0.0001037900000000, -0.0000177800000000, 0.0001135700000000 ] - [ -0.0004013900000000, 0.0000291900000000, 0.0016127800000000 ] - [ 0.0001889800000000, 0.0000331000000000, 0.0004433800000000 ] - [ -0.0001618800000000, -0.0000010000000000, 0.0000585200000000 ] - [ -0.0000940100000000, 0.0000166800000000, 0.0000914900000000 ] - [ -0.0001586900000000, -0.0000094400000000, -0.0000965900000000 ] - [ 0.0003524100000000, -0.0000440900000000, 0.0002344600000000 ] - [ -0.0000460700000000, 0.0000008900000000, -0.0000382800000000 ] - [ -0.0000517100000000, -0.0000505100000000, -0.0001218900000000 ] - [ 0.0000564300000000, 0.0000061100000000, -0.0000042400000000 ] - [ 0.0000330300000000, 0.0001101200000000, -0.0000119300000000 ] - [ 0.0001508800000000, 0.0000045700000000, 0.0000916900000000 ] - [ 0.0000210700000000, 0.0000664100000000, -0.0000887400000000 ] - [ -0.0000410200000000, 0.0000004900000000, 0.0000241400000000 ] - [ -0.0000289400000000, -0.0000987200000000, -0.0000301400000000 ] - [ -0.0001955000000000, -0.0000099000000000, -0.0001112200000000 ] - [ 0.0003239800000000, -0.0000751000000000, 0.0003594500000000 ] - [ -0.0000938200000000, -0.0000004400000000, -0.0000901700000000 ] - [ -0.0000233400000000, -0.0000018300000000, 0.0001556700000000 ] - [ -0.0005434100000000, 0.0000281400000000, 0.0023165300000000 ] - [ -0.0004380600000000, -0.0001971600000000, -0.0007129800000000 ] - [ -0.0006383900000000, 0.0000061400000000, 0.0003604700000000 ] - [ -0.0000309200000000, 0.0000008600000000, 0.0001686500000000 ] - [ -0.0012211700000000, -0.0000195200000000, 0.0019291300000000 ] - [ -0.0035961000000000, 0.0003130600000000, 0.0001228200000000 ] - [ -0.0004795300000000, -0.0000068500000000, 0.0002864700000000 ] - [ 0.0039564500000000, 0.0005692200000000, -0.0000545500000000 ] - [ -0.0044441700000000, -0.0008844900000000, 0.0000967300000000 ] - [ -0.0067239400000000, -0.0002985900000000, 0.0019095700000000 ] - [ -0.0061008900000000, 0.0010016300000000, 0.0007052800000000 ] - [ -0.0016036000000000, 0.0000797000000000, -0.0000402500000000 ] - [ 0.0212922600000000, -0.0100533900000000, -0.0070709600000000 ] - [ 0.0193135500000000, 0.0140687800000000, -0.0086968900000000 ] - [ 0.0039562800000000, -0.0011057600000000, -0.0024913400000000 ] - [ 0.0397658300000000, -0.0022414900000000, 0.0159285300000000 ] - [ 0.0028317000000000, -0.0006001200000000, 0.0023372000000000 ] - [ 0.0004550200000000, -0.0001618000000000, 0.0000371100000000 ] - [ -0.0013834200000000, -0.0004943100000000, -0.0000291400000000 ] - [ -0.0013667800000000, -0.0013152400000000, -0.0038247700000000 ] - [ -0.0005821900000000, 0.0000090000000000, 0.0002920600000000 ] - [ -0.0000051600000000, -0.0000148500000000, -0.0000513200000000 ] - [ -0.0003029200000000, 0.0010130700000000, -0.0031450900000000 ] - [ -0.0004649500000000, -0.0000397400000000, -0.0005504000000000 ] - [ -0.0001354100000000, -0.0000016200000000, 0.0000034600000000 ] - [ -0.0000079500000000, 0.0000093700000000, -0.0000777300000000 ] - [ 0.0000556400000000, -0.0000062600000000, 0.0000289300000000 ] - [ -0.0005329900000000, 0.0000439000000000, -0.0007386000000000 ] - [ 0.0000024200000000, 0.0000013400000000, -0.0000961500000000 ] - [ 0.0000217200000000, -0.0000662700000000, -0.0000893200000000 ] - [ -0.0001045700000000, 0.0000089900000000, -0.0002421000000000 ] - [ -0.0000289200000000, 0.0000991900000000, -0.0000259500000000 ] - [ -0.0000285300000000, 0.0000106900000000, -0.0002393600000000 ] - [ -0.0000513000000000, 0.0000510200000000, -0.0001202200000000 ] - [ 0.0000203300000000, 0.0000010600000000, -0.0000453300000000 ] - [ 0.0000335700000000, -0.0001098500000000, -0.0000152000000000 ] - [ 0.0000110500000000, -0.0000043600000000, 0.0000713800000000 ] - [ -0.0005379800000000, 0.0002395600000000, -0.0009144100000000 ] - [ -0.0000571200000000, -0.0000010700000000, -0.0001549900000000 ] - [ 0.0001216500000000, 0.0000067100000000, -0.0000137800000000 ] - [ -0.0001676600000000, 0.0012908900000000, -0.0049570400000000 ] - [ 0.0002107700000000, 0.0000763300000000, 0.0005127800000000 ] - [ 0.0008212100000000, 0.0000958400000000, -0.0002541200000000 ] - [ 0.0001218200000000, -0.0000113100000000, 0.0000063800000000 ] - [ -0.0000960300000000, -0.0011749600000000, -0.0029872300000000 ] - [ 0.0419626600000000, 0.0056629100000000, 0.0230530300000000 ] - [ 0.0006449300000000, -0.0001194700000000, 0.0000721700000000 ] - [ -0.0014206200000000, -0.0001253000000000, -0.0002752500000000 ] - [ 0.0188392900000000, 0.0139371300000000, -0.0083135200000000 ] - [ 0.0038146100000000, 0.0002196900000000, -0.0016955600000000 ] - [ 0.0160074000000000, -0.0099854600000000, -0.0090928300000000 ] - [ 0.0031902800000000, -0.0008146300000000, 0.0023635800000000 ] - [ -0.0051436400000000, 0.0005393600000000, -0.0000444200000000 ] - [ -0.0042149700000000, -0.0009345600000000, -0.0003150100000000 ] - [ -0.0068224500000000, -0.0010405600000000, 0.0027876800000000 ] - [ -0.0029706400000000, -0.0000616500000000, 0.0007419700000000 ]- atom: 38 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0049122600000000, 0.0031735700000000, 0.0049284000000000 ] - [ -0.0011348600000000, -0.0000978000000000, -0.0002558000000000 ] - [ -0.0001503200000000, -0.0000039200000000, -0.0000179600000000 ] - [ -0.0001532100000000, -0.0000431000000000, 0.0002000200000000 ] - [ -0.0001152000000000, -0.0000031100000000, -0.0000286400000000 ] - [ 0.0000362200000000, -0.0000014100000000, -0.0000512500000000 ] - [ -0.0013679500000000, -0.0000821800000000, -0.0005110300000000 ] - [ -0.0001071200000000, -0.0000312600000000, 0.0001700100000000 ] - [ -0.0170470000000000, -0.0134206200000000, 0.0018180900000000 ] - [ -0.0028612900000000, -0.0007383800000000, 0.0008697900000000 ] - [ -0.0068625900000000, 0.0068255400000000, -0.0052842900000000 ] - [ 0.0004562800000000, -0.0005071200000000, 0.0005110300000000 ] - [ 0.0000146600000000, -0.0000046200000000, -0.0000697800000000 ] - [ 0.0000328100000000, -0.0000328800000000, -0.0002573600000000 ] - [ 0.0000762100000000, -0.0000037200000000, -0.0000720500000000 ] - [ 0.0000342700000000, -0.0000010900000000, -0.0000445500000000 ] - [ 0.0005703400000000, -0.0003734700000000, 0.0008088300000000 ] - [ 0.0001790300000000, -0.0000324600000000, -0.0003908000000000 ] - [ -0.0164958100000000, -0.0132481000000000, 0.0019305300000000 ] - [ 0.0094750400000000, -0.0073299800000000, -0.0074208100000000 ] - [ 0.0041764400000000, 0.0012092600000000, 0.0079489900000000 ] - [ -0.0037425000000000, -0.0012098600000000, 0.0018187500000000 ] - [ -0.0007220900000000, 0.0000373200000000, 0.0011239700000000 ] - [ -0.0003481700000000, 0.0000080900000000, 0.0002158300000000 ] - [ -0.0009392000000000, -0.0000386200000000, 0.0009556000000000 ] - [ -0.0000265300000000, 0.0001148800000000, -0.0001406400000000 ] - [ -0.0002309800000000, 0.0000038200000000, 0.0001422700000000 ] - [ -0.0001018900000000, 0.0000016800000000, -0.0000087100000000 ] - [ -0.0000239300000000, -0.0000836200000000, -0.0000042400000000 ] - [ 0.0006271700000000, 0.0000981800000000, 0.0002162600000000 ] - [ 0.0003378400000000, 0.0001312500000000, 0.0001776600000000 ] - [ 0.0000483100000000, -0.0000071900000000, -0.0001635900000000 ] - [ 0.0000210500000000, 0.0000464500000000, 0.0000165900000000 ] - [ -0.0001130000000000, 0.0000019200000000, 0.0000008100000000 ] - [ -0.0010304300000000, -0.0000183700000000, 0.0011560100000000 ] - [ -0.0096048900000000, 0.0052080800000000, 0.0081366500000000 ] - [ -0.0011670100000000, 0.0000219900000000, 0.0010093400000000 ] - [ 0.1632918000000000, 0.0285565200000000, 0.0174330400000000 ] - [ -0.0086281900000000, -0.0001626400000000, -0.0006211800000000 ] - [ 0.0033202100000000, 0.0008100000000000, 0.0082000000000000 ] - [ -0.0037459500000000, -0.0003628300000000, -0.0010206700000000 ] - [ 0.0147848900000000, -0.0131860500000000, -0.0130474500000000 ] - [ 0.0021565600000000, -0.0002934600000000, -0.0011758200000000 ] - [ 0.0000289500000000, 0.0000179600000000, -0.0001229700000000 ] - [ 0.0012444100000000, 0.0002841300000000, -0.0024166200000000 ] - [ -0.0000157300000000, 0.0000839700000000, 0.0000048000000000 ] - [ 0.0002306700000000, 0.0000141900000000, -0.0000996900000000 ] - [ 0.0000127500000000, 0.0000013600000000, -0.0000558900000000 ] - [ -0.0000359200000000, -0.0001142800000000, -0.0001505800000000 ] - [ -0.0006903700000000, 0.0000769100000000, -0.0004119100000000 ] - [ -0.0008647200000000, 0.0000734600000000, -0.0003252200000000 ] - [ 0.0000270200000000, -0.0000461900000000, 0.0000232500000000 ] - [ 0.0000404400000000, 0.0000077700000000, -0.0001734800000000 ] - [ -0.0000110300000000, 0.0000017000000000, -0.0000558100000000 ] - [ 0.0027201900000000, 0.0005370400000000, -0.0012670100000000 ] - [ -0.0112103300000000, 0.0129427100000000, -0.0091253300000000 ] - [ 0.0019888000000000, -0.0005095000000000, -0.0024379700000000 ] - [ -0.0051492100000000, 0.0002122200000000, 0.0007735100000000 ] - [ 0.0233657500000000, 0.0008156600000000, -0.0101172200000000 ] - [ -0.0033117600000000, -0.0004183600000000, -0.0014420700000000 ] - [ 0.0015947400000000, -0.0002839600000000, -0.0003617400000000 ] - [ 0.0003196100000000, 0.0000115500000000, -0.0001897600000000 ] - [ -0.0040291300000000, -0.0011238900000000, 0.0008126700000000 ] - [ 0.0009358200000000, 0.0000147400000000, -0.0020332000000000 ] - [ -0.0006759300000000, -0.0001256300000000, 0.0002355300000000 ] - [ -0.0000201000000000, -0.0000042600000000, -0.0000227200000000 ] - [ 0.0005560400000000, -0.0000258100000000, -0.0018481300000000 ] - [ -0.0003015700000000, -0.0000337800000000, -0.0004670900000000 ] - [ -0.0001410500000000, 0.0000010400000000, 0.0000979100000000 ] - [ -0.0000300500000000, 0.0000056100000000, -0.0000033000000000 ] - [ 0.0000667200000000, 0.0000094700000000, 0.0001182700000000 ] - [ -0.0004655500000000, 0.0000448700000000, -0.0002600900000000 ] - [ -0.0000129700000000, -0.0000008800000000, -0.0000240500000000 ] - [ 0.0000341800000000, -0.0000761300000000, -0.0000121400000000 ] - [ -0.0000997300000000, -0.0000059500000000, -0.0000961000000000 ] - [ -0.0000161900000000, 0.0001095100000000, 0.0000459600000000 ] - [ -0.0000245700000000, -0.0000046100000000, -0.0000665200000000 ] - [ -0.0000387600000000, 0.0000605200000000, -0.0000473000000000 ] - [ 0.0000035200000000, -0.0000003600000000, 0.0000284000000000 ] - [ 0.0000454700000000, -0.0001206600000000, 0.0000622600000000 ] - [ 0.0000304900000000, 0.0000099900000000, 0.0001481800000000 ] - [ -0.0003779600000000, 0.0000984900000000, -0.0004263400000000 ] - [ -0.0000633100000000, 0.0000005700000000, -0.0000668500000000 ] - [ 0.0000952600000000, -0.0000009300000000, 0.0000495400000000 ] - [ 0.0007925800000000, -0.0000310600000000, -0.0023816100000000 ] - [ 0.0003866700000000, 0.0001737700000000, 0.0006418300000000 ] - [ 0.0006572900000000, -0.0000060400000000, -0.0002813300000000 ] - [ 0.0001027700000000, 0.0000018900000000, 0.0000343100000000 ] - [ 0.0012936700000000, 0.0000231100000000, -0.0019063800000000 ] - [ 0.0036153300000000, -0.0002761200000000, -0.0001305400000000 ] - [ 0.0005312500000000, 0.0000070000000000, -0.0002491900000000 ] - [ -0.0037240000000000, -0.0004565800000000, 0.0000194500000000 ] - [ 0.0044050200000000, 0.0008917900000000, 0.0001663600000000 ] - [ 0.0068097000000000, 0.0002628400000000, -0.0019415700000000 ] - [ 0.0064304400000000, -0.0009928200000000, -0.0007971600000000 ] - [ 0.0018246300000000, -0.0001888100000000, -0.0000158500000000 ] - [ -0.0213334500000000, 0.0098264200000000, 0.0071038900000000 ] - [ -0.0193323700000000, -0.0144793200000000, 0.0089753000000000 ] - [ -0.0038870700000000, 0.0011608700000000, 0.0025507700000000 ] - [ -0.0416160700000000, 0.0020970200000000, -0.0174706300000000 ] - [ -0.0028908900000000, 0.0008769800000000, -0.0023611300000000 ] - [ -0.0006542800000000, 0.0001618900000000, 0.0002472900000000 ] - [ 0.0013339800000000, 0.0002208200000000, 0.0000250100000000 ] - [ 0.0013040300000000, 0.0013147000000000, 0.0038077000000000 ] - [ 0.0004322800000000, -0.0000088600000000, -0.0003675400000000 ] - [ -0.0001196200000000, -0.0000068400000000, 0.0001411500000000 ] - [ 0.0004449700000000, -0.0010124200000000, 0.0029130400000000 ] - [ 0.0003481000000000, 0.0000392000000000, 0.0005281300000000 ] - [ -0.0001675700000000, 0.0000015800000000, 0.0001530000000000 ] - [ -0.0001167600000000, 0.0000124800000000, 0.0001650200000000 ] - [ -0.0001467500000000, 0.0000063700000000, -0.0000081100000000 ] - [ 0.0004160400000000, -0.0000432700000000, 0.0007137300000000 ] - [ -0.0000617400000000, -0.0000012700000000, 0.0000336800000000 ] - [ -0.0000392900000000, -0.0000604800000000, -0.0000446600000000 ] - [ 0.0000604100000000, -0.0000087300000000, 0.0001426000000000 ] - [ 0.0000454800000000, 0.0001204800000000, 0.0000602200000000 ] - [ 0.0001551800000000, -0.0000107300000000, 0.0002636000000000 ] - [ 0.0000337700000000, 0.0000757800000000, -0.0000158300000000 ] - [ -0.0000573600000000, -0.0000009400000000, 0.0000978600000000 ] - [ -0.0000168800000000, -0.0001095600000000, 0.0000470100000000 ] - [ -0.0001772000000000, 0.0000044400000000, -0.0000334400000000 ] - [ 0.0004868900000000, -0.0002158600000000, 0.0008459400000000 ] - [ -0.0000996400000000, 0.0000012300000000, -0.0000019000000000 ] - [ -0.0000485700000000, -0.0000089700000000, 0.0002198300000000 ] - [ 0.0004306900000000, -0.0012923200000000, 0.0048868100000000 ] - [ -0.0002653400000000, -0.0000996200000000, -0.0005819200000000 ] - [ -0.0007998100000000, -0.0000953100000000, 0.0003365200000000 ] - [ -0.0000486900000000, 0.0000137800000000, 0.0001974600000000 ] - [ 0.0001898000000000, 0.0011766600000000, 0.0030031400000000 ] - [ -0.0399041800000000, -0.0054169200000000, -0.0213449200000000 ] - [ -0.0005902800000000, 0.0001190800000000, -0.0000297500000000 ] - [ 0.0016387000000000, 0.0002345200000000, 0.0002253100000000 ] - [ -0.0188142800000000, -0.0135512100000000, 0.0082825100000000 ] - [ -0.0037504200000000, -0.0002586900000000, 0.0016986300000000 ] - [ -0.0156290800000000, 0.0101751700000000, 0.0091691400000000 ] - [ -0.0029591300000000, 0.0007007200000000, -0.0023964000000000 ] - [ 0.0051185800000000, -0.0005499700000000, 0.0002768600000000 ] - [ 0.0042567400000000, 0.0009275100000000, 0.0002829400000000 ] - [ 0.0068602800000000, 0.0010768700000000, -0.0026935900000000 ] - [ 0.0030838000000000, 0.0000068000000000, -0.0006776200000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0068290100000000, 0.0003402600000000, 0.0025613000000000 ] - [ 0.0000851900000000, 0.0000013700000000, -0.0000184500000000 ] - [ -0.0000428900000000, 0.0000002400000000, -0.0000724400000000 ] - [ -0.0000614700000000, -0.0000004500000000, 0.0000058000000000 ] - [ 0.0000061900000000, 0.0000002600000000, -0.0000647700000000 ] - [ 0.0000301100000000, 0.0000001600000000, -0.0000768500000000 ] - [ 0.0000860600000000, 0.0000057800000000, 0.0001273000000000 ] - [ 0.0001021300000000, 0.0000007100000000, -0.0000302500000000 ] - [ 0.0128035600000000, 0.0026938900000000, 0.0029042300000000 ] - [ 0.0008902000000000, 0.0000087800000000, 0.0008576100000000 ] - [ -0.0029671300000000, 0.0002056300000000, -0.0021735600000000 ] - [ 0.0003147000000000, -0.0000088600000000, 0.0004362100000000 ] - [ -0.0000499900000000, 0.0000000700000000, -0.0000700900000000 ] - [ -0.0000628100000000, 0.0000005200000000, 0.0000224800000000 ] - [ 0.0000131100000000, 0.0000001900000000, -0.0000911500000000 ] - [ 0.0000380100000000, 0.0000001500000000, -0.0000792300000000 ] - [ 0.0009692600000000, 0.0000024500000000, 0.0003467000000000 ] - [ -0.0000392500000000, 0.0000021600000000, -0.0000723400000000 ] - [ 0.0113979500000000, 0.0024829200000000, 0.0036897300000000 ] - [ 0.0071635800000000, 0.0024960200000000, 0.0104155800000000 ] - [ -0.0004079400000000, 0.0005395700000000, -0.0124328800000000 ] - [ 0.0014247800000000, -0.0000195900000000, 0.0003124200000000 ] - [ 0.0000903400000000, -0.0012207700000000, -0.0002515300000000 ] - [ -0.0001680800000000, 0.0000003800000000, -0.0001698100000000 ] - [ 0.0000847100000000, 0.0012156700000000, -0.0002493100000000 ] - [ -0.0000399500000000, 0.0000689800000000, -0.0001134900000000 ] - [ -0.0000195900000000, 0.0000003300000000, -0.0001485300000000 ] - [ -0.0000431600000000, -0.0000002300000000, -0.0000847900000000 ] - [ -0.0000494800000000, -0.0000750000000000, -0.0001162300000000 ] - [ 0.0000736200000000, -0.0000021000000000, -0.0003563900000000 ] - [ -0.0003169700000000, 0.0000033800000000, -0.0001185100000000 ] - [ -0.0000156500000000, -0.0000671700000000, -0.0001144800000000 ] - [ 0.0000324500000000, 0.0000610200000000, -0.0001173500000000 ] - [ -0.0000586800000000, 0.0000000700000000, -0.0000835500000000 ] - [ 0.0002346400000000, -0.0014720200000000, 0.0000172300000000 ] - [ -0.0114472400000000, 0.0004962300000000, 0.0044441900000000 ] - [ 0.0002376600000000, 0.0014657300000000, 0.0000191500000000 ] - [ -0.0284400900000000, -0.1961867000000000, -0.0193763300000000 ] - [ -0.0001246900000000, 0.0004474900000000, -0.0002571800000000 ] - [ 0.0004432600000000, 0.0004446600000000, -0.0125675500000000 ] - [ 0.0001210100000000, 0.0000121800000000, -0.0001163800000000 ] - [ 0.0124381800000000, 0.0045348200000000, 0.0184080200000000 ] - [ -0.0000789200000000, -0.0003626500000000, 0.0000215200000000 ] - [ -0.0001622700000000, -0.0000000900000000, -0.0001019300000000 ] - [ -0.0000893400000000, 0.0003676500000000, 0.0000478600000000 ] - [ -0.0000493700000000, 0.0000760300000000, -0.0001159800000000 ] - [ 0.0000036200000000, -0.0000006000000000, -0.0002491300000000 ] - [ -0.0000433500000000, -0.0000002100000000, -0.0000948000000000 ] - [ -0.0000399600000000, -0.0000687200000000, -0.0001133900000000 ] - [ -0.0001308800000000, -0.0000053900000000, -0.0001012100000000 ] - [ -0.0002133200000000, -0.0000010500000000, -0.0000801600000000 ] - [ 0.0000323000000000, -0.0000600700000000, -0.0001173500000000 ] - [ -0.0000151900000000, 0.0000674200000000, -0.0001139100000000 ] - [ -0.0000641700000000, -0.0000001300000000, -0.0000875100000000 ] - [ -0.0005038100000000, -0.0003346900000000, -0.0002687200000000 ] - [ -0.0060577600000000, 0.0006693000000000, -0.0035854400000000 ] - [ -0.0004802400000000, 0.0003349100000000, -0.0002345100000000 ] - [ -0.0001735600000000, -0.0004396200000000, -0.0002456400000000 ] - [ 0.0008555300000000, 0.0751879600000000, 0.0005373800000000 ] - [ -0.0004195900000000, 0.0000072500000000, 0.0002077600000000 ] - [ -0.0001524500000000, 0.0003135600000000, -0.0000048600000000 ] - [ -0.0003016200000000, -0.0000017400000000, 0.0005752600000000 ] - [ 0.0005786500000000, 0.0027585000000000, -0.0002555900000000 ] - [ -0.0022773500000000, 0.0000642500000000, 0.0021096200000000 ] - [ -0.0001049400000000, -0.0000105100000000, -0.0001673800000000 ] - [ -0.0000454000000000, -0.0000387700000000, 0.0001189500000000 ] - [ 0.0010568400000000, 0.0000369800000000, -0.0017835400000000 ] - [ -0.0000164000000000, -0.0001252800000000, 0.0000261800000000 ] - [ -0.0001546800000000, -0.0000000100000000, 0.0001765400000000 ] - [ -0.0000456100000000, 0.0000388800000000, 0.0001179900000000 ] - [ -0.0000967200000000, -0.0000001700000000, 0.0001035300000000 ] - [ -0.0000197400000000, 0.0001283400000000, 0.0000277000000000 ] - [ -0.0000386300000000, -0.0000000500000000, 0.0000338500000000 ] - [ 0.0000000500000000, -0.0000650400000000, -0.0000081600000000 ] - [ -0.0000145800000000, 0.0000000600000000, 0.0000094000000000 ] - [ 0.0000190900000000, 0.0001158900000000, 0.0000817500000000 ] - [ 0.0000462200000000, 0.0000003000000000, 0.0000753700000000 ] - [ -0.0000041700000000, 0.0000672200000000, -0.0000005100000000 ] - [ -0.0000338900000000, 0.0000000500000000, 0.0000891900000000 ] - [ 0.0000135100000000, -0.0001135900000000, 0.0000795600000000 ] - [ -0.0001060100000000, -0.0000006800000000, 0.0000992400000000 ] - [ -0.0001828700000000, 0.0002443000000000, -0.0000213900000000 ] - [ -0.0000882400000000, 0.0000000100000000, 0.0000177300000000 ] - [ 0.0000334000000000, 0.0000257500000000, 0.0001530600000000 ] - [ 0.0012910700000000, 0.0000597100000000, -0.0030206700000000 ] - [ 0.0000503700000000, -0.0000292400000000, -0.0000226700000000 ] - [ 0.0002460200000000, -0.0000013800000000, -0.0002630000000000 ] - [ 0.0000331300000000, -0.0000258900000000, 0.0001521700000000 ] - [ -0.0024487700000000, 0.0000641300000000, 0.0021720900000000 ] - [ 0.0003131600000000, -0.0025565200000000, 0.0002812400000000 ] - [ -0.0001914800000000, -0.0000016500000000, 0.0003644300000000 ] - [ 0.0006066400000000, 0.0026047400000000, 0.0004022200000000 ] - [ -0.0001719000000000, 0.0000299300000000, 0.0001856600000000 ] - [ 0.0002489500000000, 0.0024449100000000, 0.0002652200000000 ] - [ 0.0001729900000000, 0.0001427400000000, -0.0001757000000000 ] - [ 0.0000517100000000, 0.0001532600000000, -0.0002160500000000 ] - [ -0.0133763600000000, 0.0215112200000000, 0.0139001900000000 ] - [ 0.0152409700000000, 0.0256948300000000, -0.0154632000000000 ] - [ -0.0014968000000000, -0.0078423400000000, -0.0004359900000000 ] - [ 0.0007343900000000, 0.0107295500000000, 0.0007963900000000 ] - [ 0.0006933600000000, -0.0030683300000000, -0.0003618900000000 ] - [ -0.0000227800000000, -0.0000015100000000, 0.0004713600000000 ] - [ -0.0001505500000000, -0.0003139000000000, 0.0000020100000000 ] - [ -0.0000595700000000, 0.0000335500000000, 0.0000822500000000 ] - [ 0.0000651000000000, -0.0000012500000000, -0.0001734200000000 ] - [ -0.0000492900000000, -0.0000371200000000, 0.0001066400000000 ] - [ 0.0000646100000000, 0.0000790600000000, -0.0004061800000000 ] - [ -0.0000844200000000, -0.0000097400000000, 0.0000083400000000 ] - [ -0.0001574000000000, 0.0000000000000000, 0.0001794200000000 ] - [ -0.0000491000000000, 0.0000366900000000, 0.0001054100000000 ] - [ -0.0000657300000000, 0.0000002000000000, 0.0000946700000000 ] - [ -0.0000869200000000, 0.0000142500000000, 0.0000030200000000 ] - [ -0.0000394700000000, -0.0000000800000000, 0.0000329700000000 ] - [ -0.0000040700000000, -0.0000671500000000, 0.0000004100000000 ] - [ -0.0000155800000000, 0.0000004000000000, -0.0000039400000000 ] - [ 0.0000136500000000, 0.0001137800000000, 0.0000806900000000 ] - [ 0.0000961100000000, 0.0000009800000000, 0.0000227100000000 ] - [ 0.0000001300000000, 0.0000649500000000, -0.0000089800000000 ] - [ -0.0000193100000000, 0.0000000300000000, 0.0000920100000000 ] - [ 0.0000190400000000, -0.0001158400000000, 0.0000806900000000 ] - [ -0.0001393200000000, -0.0000000700000000, 0.0001220100000000 ] - [ 0.0000435100000000, 0.0000393300000000, -0.0000348000000000 ] - [ -0.0000776600000000, -0.0000000100000000, 0.0000307800000000 ] - [ 0.0000775500000000, 0.0000333200000000, 0.0002020900000000 ] - [ 0.0002941500000000, 0.0001587200000000, -0.0007133000000000 ] - [ -0.0001830800000000, -0.0002414200000000, -0.0000176500000000 ] - [ 0.0000606200000000, -0.0000075700000000, 0.0000811800000000 ] - [ 0.0000772200000000, -0.0000338100000000, 0.0002019200000000 ] - [ 0.0003330700000000, 0.0000378800000000, 0.0000337100000000 ] - [ 0.0044282500000000, 0.0096099300000000, 0.0027439300000000 ] - [ 0.0001448000000000, -0.0000073000000000, 0.0005493200000000 ] - [ 0.0000621800000000, -0.0001504400000000, -0.0002135000000000 ] - [ 0.0157873000000000, 0.0250440500000000, -0.0154741500000000 ] - [ -0.0003907700000000, -0.0064856800000000, -0.0005868100000000 ] - [ -0.0105566900000000, 0.0274927200000000, 0.0213620800000000 ] - [ 0.0006784400000000, -0.0027287700000000, 0.0004703200000000 ] - [ -0.0001832200000000, 0.0000801300000000, 0.0002368700000000 ] - [ 0.0001999100000000, 0.0000372200000000, -0.0003444800000000 ] - [ -0.0001729200000000, 0.0019066300000000, -0.0000405100000000 ] - [ -0.0002661000000000, -0.0018465300000000, -0.0000423700000000 ]- atom: 38 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0068986200000000, -0.0003516700000000, -0.0027244800000000 ] - [ -0.0002382100000000, -0.0000005600000000, -0.0000155100000000 ] - [ -0.0000745900000000, 0.0000003900000000, 0.0000548100000000 ] - [ -0.0001362200000000, 0.0000012400000000, 0.0000818000000000 ] - [ -0.0000207000000000, -0.0000002800000000, 0.0000346500000000 ] - [ 0.0000403300000000, 0.0000000500000000, 0.0000696300000000 ] - [ -0.0000415900000000, -0.0000059400000000, -0.0000892000000000 ] - [ -0.0000996200000000, -0.0000011400000000, -0.0000303300000000 ] - [ -0.0129256100000000, -0.0026459200000000, -0.0029712500000000 ] - [ -0.0006463200000000, -0.0000083600000000, -0.0008978500000000 ] - [ 0.0030104800000000, -0.0002672000000000, 0.0020031600000000 ] - [ -0.0004651000000000, 0.0000120100000000, -0.0004707900000000 ] - [ -0.0000670500000000, 0.0000004000000000, 0.0000524200000000 ] - [ -0.0001351100000000, 0.0000002500000000, 0.0000650800000000 ] - [ -0.0000272100000000, 0.0000001800000000, 0.0000612200000000 ] - [ 0.0000323200000000, 0.0000003800000000, 0.0000719300000000 ] - [ -0.0009262700000000, -0.0000033300000000, -0.0003074600000000 ] - [ 0.0000425600000000, -0.0000020300000000, 0.0000123600000000 ] - [ -0.0113700200000000, -0.0025359200000000, -0.0037709700000000 ] - [ -0.0069007400000000, -0.0025462000000000, -0.0103865300000000 ] - [ 0.0005413600000000, -0.0005351700000000, 0.0123779100000000 ] - [ -0.0012618600000000, 0.0000173800000000, -0.0003212600000000 ] - [ -0.0000542000000000, 0.0009209400000000, 0.0002244100000000 ] - [ -0.0001448500000000, -0.0000003700000000, 0.0002932300000000 ] - [ -0.0000486100000000, -0.0009154700000000, 0.0002257900000000 ] - [ -0.0000301100000000, 0.0001106300000000, 0.0000937600000000 ] - [ 0.0000200500000000, -0.0000003000000000, 0.0001915100000000 ] - [ -0.0000469700000000, 0.0000000600000000, 0.0001375800000000 ] - [ -0.0000204800000000, -0.0001046000000000, 0.0000963500000000 ] - [ 0.0000306800000000, 0.0000025700000000, 0.0002323900000000 ] - [ -0.0000216000000000, -0.0000039500000000, 0.0001280800000000 ] - [ 0.0000609200000000, -0.0000151900000000, 0.0000922500000000 ] - [ 0.0000128100000000, 0.0000214500000000, 0.0000948000000000 ] - [ -0.0000660600000000, 0.0000001000000000, 0.0001456700000000 ] - [ 0.0000369600000000, 0.0014438100000000, -0.0000526600000000 ] - [ 0.0113486500000000, -0.0004896300000000, -0.0044352800000000 ] - [ 0.0000337600000000, -0.0014375300000000, -0.0000556500000000 ] - [ 0.0285947000000000, 0.1962047000000000, 0.0190634900000000 ] - [ 0.0001722700000000, -0.0004728000000000, 0.0001709500000000 ] - [ -0.0003609100000000, -0.0004504600000000, 0.0125676200000000 ] - [ -0.0000025400000000, -0.0000059800000000, 0.0000836900000000 ] - [ -0.0123191700000000, -0.0044475900000000, -0.0185419100000000 ] - [ 0.0001119300000000, 0.0000626700000000, -0.0000540300000000 ] - [ -0.0001502400000000, 0.0000000000000000, 0.0002247400000000 ] - [ 0.0001252400000000, -0.0000669500000000, -0.0000687800000000 ] - [ -0.0000206100000000, 0.0001036700000000, 0.0000962600000000 ] - [ -0.0000029300000000, 0.0000006800000000, 0.0002926000000000 ] - [ -0.0000468300000000, 0.0000002100000000, 0.0001474500000000 ] - [ -0.0000301700000000, -0.0001107700000000, 0.0000934600000000 ] - [ 0.0002352100000000, 0.0000058600000000, -0.0000233500000000 ] - [ -0.0001260000000000, 0.0000007900000000, 0.0000898100000000 ] - [ 0.0000129400000000, -0.0000223000000000, 0.0000951700000000 ] - [ 0.0000604500000000, 0.0000150700000000, 0.0000913100000000 ] - [ -0.0000603300000000, 0.0000002400000000, 0.0001494100000000 ] - [ 0.0007779400000000, 0.0003068700000000, 0.0002371700000000 ] - [ 0.0060043200000000, -0.0005722400000000, 0.0035932300000000 ] - [ 0.0007523400000000, -0.0003072000000000, 0.0001939200000000 ] - [ 0.0002226300000000, 0.0004656000000000, 0.0001622400000000 ] - [ -0.0008028800000000, -0.0752049700000000, -0.0006201700000000 ] - [ 0.0005129500000000, -0.0000126800000000, -0.0002302500000000 ] - [ 0.0001026400000000, -0.0000429800000000, -0.0000047100000000 ] - [ 0.0001022500000000, 0.0000021300000000, -0.0002873800000000 ] - [ -0.0006193200000000, -0.0030277000000000, 0.0002430200000000 ] - [ 0.0022218900000000, -0.0000663600000000, -0.0021310100000000 ] - [ -0.0000458400000000, 0.0000105000000000, 0.0000910700000000 ] - [ -0.0000795600000000, 0.0000184000000000, -0.0000283700000000 ] - [ -0.0009109200000000, -0.0000353000000000, 0.0015450400000000 ] - [ -0.0000982000000000, 0.0001244100000000, -0.0000489100000000 ] - [ -0.0001479900000000, 0.0000000200000000, -0.0000181200000000 ] - [ -0.0000794100000000, -0.0000182500000000, -0.0000301200000000 ] - [ 0.0000060000000000, 0.0000001700000000, -0.0000824300000000 ] - [ -0.0000942900000000, -0.0001273800000000, -0.0000534900000000 ] - [ -0.0000208300000000, 0.0000000200000000, -0.0000952700000000 ] - [ -0.0000182800000000, -0.0000593300000000, -0.0001255400000000 ] - [ -0.0000287000000000, 0.0000000700000000, -0.0001076600000000 ] - [ -0.0000021000000000, 0.0001048700000000, -0.0000468600000000 ] - [ 0.0000810800000000, -0.0000003600000000, -0.0000484100000000 ] - [ -0.0000141600000000, 0.0000573800000000, -0.0001355400000000 ] - [ -0.0000017800000000, 0.0000000800000000, -0.0000359200000000 ] - [ 0.0000033100000000, -0.0001072800000000, -0.0000467200000000 ] - [ -0.0000607800000000, 0.0000007700000000, -0.0000616000000000 ] - [ 0.0001300700000000, -0.0002190200000000, -0.0000452300000000 ] - [ -0.0000690900000000, 0.0000000500000000, -0.0001747000000000 ] - [ 0.0000393900000000, -0.0000257100000000, 0.0000531900000000 ] - [ -0.0010309600000000, -0.0000621000000000, 0.0029590300000000 ] - [ -0.0001039500000000, 0.0000039400000000, -0.0000471600000000 ] - [ -0.0002245300000000, 0.0000017800000000, 0.0003444800000000 ] - [ 0.0000395700000000, 0.0000258200000000, 0.0000518000000000 ] - [ 0.0025322600000000, -0.0000617100000000, -0.0021513800000000 ] - [ -0.0002755400000000, 0.0025916500000000, -0.0002895200000000 ] - [ 0.0002435900000000, 0.0000014200000000, -0.0003262600000000 ] - [ -0.0003945000000000, -0.0024911600000000, -0.0004438100000000 ] - [ 0.0001378900000000, -0.0000384500000000, 0.0000640100000000 ] - [ -0.0002073700000000, -0.0024787200000000, -0.0002569900000000 ] - [ 0.0001524300000000, -0.0001518300000000, 0.0000960400000000 ] - [ 0.0001692600000000, -0.0002663000000000, 0.0001716200000000 ] - [ 0.0141085100000000, -0.0226673000000000, -0.0148029000000000 ] - [ -0.0161452600000000, -0.0269471300000000, 0.0165897400000000 ] - [ 0.0016389200000000, 0.0078771000000000, 0.0005464500000000 ] - [ -0.0004374500000000, -0.0107633100000000, -0.0006096900000000 ] - [ -0.0007556400000000, 0.0033435800000000, 0.0003571400000000 ] - [ -0.0001764300000000, 0.0000010800000000, -0.0001829900000000 ] - [ 0.0000999000000000, 0.0000428200000000, -0.0000114500000000 ] - [ 0.0000033800000000, -0.0000430000000000, -0.0001022400000000 ] - [ -0.0002157400000000, 0.0000008600000000, 0.0000964700000000 ] - [ -0.0000756500000000, 0.0000166700000000, -0.0000160500000000 ] - [ 0.0000821600000000, -0.0000712600000000, 0.0001679900000000 ] - [ -0.0000288400000000, 0.0000091300000000, -0.0000308700000000 ] - [ -0.0001451800000000, -0.0000000200000000, -0.0000207500000000 ] - [ -0.0000758800000000, -0.0000162000000000, -0.0000174900000000 ] - [ -0.0000251700000000, -0.0000001800000000, -0.0000736000000000 ] - [ -0.0000270300000000, -0.0000134700000000, -0.0000284300000000 ] - [ -0.0000199600000000, 0.0000000400000000, -0.0000941600000000 ] - [ -0.0000141200000000, -0.0000573200000000, -0.0001343400000000 ] - [ -0.0000278000000000, -0.0000002200000000, -0.0000944900000000 ] - [ 0.0000032600000000, 0.0001074000000000, -0.0000456600000000 ] - [ 0.0000307600000000, -0.0000010500000000, 0.0000037900000000 ] - [ -0.0000183900000000, 0.0000592100000000, -0.0001268100000000 ] - [ -0.0000164800000000, 0.0000000500000000, -0.0000388000000000 ] - [ -0.0000021900000000, -0.0001047700000000, -0.0000480500000000 ] - [ -0.0000277400000000, 0.0000000900000000, -0.0000842100000000 ] - [ -0.0000960800000000, -0.0000143400000000, -0.0000316100000000 ] - [ -0.0000793500000000, 0.0000001100000000, -0.0001875300000000 ] - [ -0.0000046600000000, -0.0000334700000000, 0.0000041700000000 ] - [ -0.0000332900000000, -0.0001687300000000, 0.0006516500000000 ] - [ 0.0001304300000000, 0.0002159700000000, -0.0000518300000000 ] - [ -0.0000393000000000, 0.0000080600000000, 0.0000001700000000 ] - [ -0.0000041900000000, 0.0000341700000000, 0.0000021100000000 ] - [ -0.0002480700000000, -0.0000291700000000, -0.0000136200000000 ] - [ -0.0045931500000000, -0.0096442100000000, -0.0028848500000000 ] - [ -0.0000926000000000, 0.0000067800000000, -0.0005115500000000 ] - [ 0.0001591500000000, 0.0002641200000000, 0.0001705900000000 ] - [ -0.0149398400000000, -0.0238863900000000, 0.0146425200000000 ] - [ 0.0003720300000000, 0.0064305400000000, 0.0005475100000000 ] - [ 0.0101097100000000, -0.0262292900000000, -0.0201532000000000 ] - [ -0.0004467500000000, 0.0026132900000000, -0.0005165600000000 ] - [ 0.0001638200000000, -0.0000735500000000, -0.0000131000000000 ] - [ -0.0001613200000000, -0.0000283300000000, 0.0003256800000000 ] - [ 0.0002737700000000, -0.0018525200000000, 0.0000915400000000 ] - [ 0.0003635100000000, 0.0017971300000000, 0.0001074700000000 ]- atom: 38 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0069938400000000, 0.0003012800000000, -0.0008278600000000 ] - [ 0.0009082200000000, 0.0000472400000000, 0.0006092800000000 ] - [ -0.0000270100000000, 0.0000047200000000, 0.0013056900000000 ] - [ -0.0002845000000000, 0.0000453300000000, 0.0015502400000000 ] - [ 0.0000240600000000, 0.0000040600000000, 0.0013056800000000 ] - [ 0.0000873100000000, 0.0000011400000000, 0.0015720200000000 ] - [ 0.0009615800000000, 0.0000459800000000, 0.0008175900000000 ] - [ -0.0001521700000000, 0.0000446300000000, 0.0015046200000000 ] - [ 0.0016009400000000, 0.0050243500000000, -0.0147795700000000 ] - [ -0.0002840100000000, 0.0002432800000000, -0.0011050400000000 ] - [ 0.0077076400000000, -0.0059136600000000, 0.0010906300000000 ] - [ -0.0015307300000000, 0.0006605200000000, 0.0024135600000000 ] - [ -0.0000804500000000, 0.0000050200000000, 0.0014221000000000 ] - [ 0.0002186100000000, 0.0000251300000000, 0.0016992700000000 ] - [ -0.0000167100000000, 0.0000056600000000, 0.0014075200000000 ] - [ 0.0000920400000000, 0.0000015600000000, 0.0015709600000000 ] - [ -0.0011719100000000, 0.0007010900000000, 0.0022546700000000 ] - [ 0.0002988800000000, 0.0000279900000000, 0.0016299300000000 ] - [ 0.0003179800000000, 0.0048742600000000, -0.0141060600000000 ] - [ 0.0057699000000000, 0.0124951200000000, 0.0131183200000000 ] - [ -0.0052915300000000, -0.0051975700000000, 0.0117462600000000 ] - [ -0.0010231100000000, 0.0003759500000000, -0.0027116500000000 ] - [ -0.0011199200000000, -0.0001209300000000, 0.0011522800000000 ] - [ -0.0002018600000000, -0.0000082700000000, 0.0019773500000000 ] - [ -0.0009447900000000, 0.0001254700000000, 0.0012207300000000 ] - [ 0.0001248600000000, -0.0000115100000000, 0.0021399900000000 ] - [ -0.0000559900000000, -0.0000069400000000, 0.0019913500000000 ] - [ -0.0001155400000000, -0.0000017800000000, 0.0022570800000000 ] - [ -0.0000785800000000, 0.0000006900000000, 0.0021437900000000 ] - [ -0.0005149500000000, -0.0001470200000000, 0.0025937700000000 ] - [ -0.0008039600000000, -0.0001391900000000, 0.0026806600000000 ] - [ 0.0001623000000000, -0.0001486900000000, 0.0021342800000000 ] - [ -0.0000084700000000, 0.0001400000000000, 0.0021426800000000 ] - [ -0.0001300300000000, -0.0000016100000000, 0.0022600100000000 ] - [ -0.0008675200000000, 0.0000185100000000, 0.0013135200000000 ] - [ -0.0102322700000000, 0.0002487900000000, -0.0015103600000000 ] - [ -0.0007002800000000, -0.0000208300000000, 0.0013638500000000 ] - [ -0.0403617100000000, -0.0231070500000000, -0.1665564900000000 ] - [ 0.0018515500000000, 0.0002186100000000, -0.0083544200000000 ] - [ -0.0048670500000000, -0.0051899900000000, 0.0103995100000000 ] - [ 0.0028564300000000, 0.0004189900000000, -0.0017301100000000 ] - [ 0.0095373200000000, 0.0205642400000000, 0.0231925100000000 ] - [ 0.0011450500000000, -0.0000905700000000, 0.0027390800000000 ] - [ -0.0002625100000000, -0.0000232500000000, 0.0027762300000000 ] - [ 0.0022783700000000, 0.0000740600000000, 0.0039528200000000 ] - [ -0.0000860200000000, -0.0000007900000000, 0.0021343300000000 ] - [ -0.0000930200000000, -0.0000266900000000, 0.0026509900000000 ] - [ -0.0001122200000000, -0.0000017500000000, 0.0023291400000000 ] - [ 0.0001344800000000, 0.0000109800000000, 0.0021481700000000 ] - [ 0.0003992000000000, -0.0000529200000000, 0.0019264300000000 ] - [ 0.0002781100000000, -0.0000462400000000, 0.0019870400000000 ] - [ -0.0000158100000000, -0.0001401300000000, 0.0021333300000000 ] - [ 0.0001728700000000, 0.0001479900000000, 0.0021434300000000 ] - [ -0.0001305300000000, -0.0000016000000000, 0.0023340600000000 ] - [ 0.0009988800000000, -0.0003487800000000, 0.0024308900000000 ] - [ 0.0109921400000000, -0.0108289900000000, 0.0016647800000000 ] - [ 0.0022549600000000, 0.0003037900000000, 0.0037439100000000 ] - [ -0.0000219700000000, -0.0002155000000000, -0.0085251700000000 ] - [ 0.0067254000000000, -0.0007056000000000, -0.0347392600000000 ] - [ 0.0020981000000000, 0.0004116900000000, -0.0013008300000000 ] - [ -0.0002900500000000, 0.0002451800000000, 0.0007737700000000 ] - [ 0.0001315500000000, 0.0000067900000000, -0.0010894500000000 ] - [ 0.0000877600000000, -0.0001203900000000, -0.0053997700000000 ] - [ 0.0028275600000000, 0.0000119000000000, -0.0006858300000000 ] - [ 0.0000134000000000, 0.0001710700000000, -0.0019694500000000 ] - [ -0.0001472700000000, 0.0000991200000000, -0.0011488200000000 ] - [ 0.0017378700000000, -0.0000924900000000, -0.0012112400000000 ] - [ 0.0002765000000000, -0.0001077800000000, -0.0012603400000000 ] - [ -0.0000482300000000, -0.0000008300000000, -0.0017708500000000 ] - [ -0.0001361100000000, -0.0000995600000000, -0.0011702200000000 ] - [ 0.0000687000000000, -0.0000069200000000, -0.0012877500000000 ] - [ 0.0004691000000000, 0.0000972900000000, -0.0014782900000000 ] - [ 0.0002399600000000, 0.0000007500000000, -0.0013772300000000 ] - [ -0.0001857500000000, 0.0000772000000000, -0.0013639600000000 ] - [ 0.0001405500000000, 0.0000053600000000, -0.0019900500000000 ] - [ -0.0001575200000000, -0.0000354300000000, -0.0013184000000000 ] - [ 0.0002146600000000, 0.0000050000000000, -0.0019331100000000 ] - [ -0.0001801800000000, -0.0000816500000000, -0.0014030600000000 ] - [ 0.0002486800000000, 0.0000007200000000, -0.0013245200000000 ] - [ -0.0001706400000000, 0.0000312600000000, -0.0012788000000000 ] - [ 0.0000494400000000, -0.0000079300000000, -0.0012824700000000 ] - [ 0.0004174200000000, 0.0000956600000000, -0.0015062600000000 ] - [ 0.0000236700000000, -0.0000006900000000, -0.0019239900000000 ] - [ -0.0000455200000000, -0.0001146500000000, -0.0011291800000000 ] - [ 0.0016960800000000, -0.0000466300000000, -0.0010017000000000 ] - [ -0.0005945300000000, -0.0001971100000000, -0.0012698900000000 ] - [ 0.0003371600000000, -0.0000112000000000, -0.0009366500000000 ] - [ -0.0000574300000000, 0.0001143000000000, -0.0011110500000000 ] - [ 0.0021749400000000, 0.0000497700000000, -0.0008677300000000 ] - [ 0.0029546400000000, -0.0008503300000000, 0.0038061300000000 ] - [ 0.0002447700000000, 0.0000106100000000, -0.0013153400000000 ] - [ 0.0000918500000000, -0.0001508000000000, -0.0056385200000000 ] - [ -0.0028505000000000, -0.0009586000000000, 0.0047795100000000 ] - [ 0.0018655300000000, 0.0006715900000000, 0.0049168100000000 ] - [ -0.0037841700000000, 0.0009851400000000, 0.0037683000000000 ] - [ -0.0000501600000000, -0.0001528500000000, 0.0003813800000000 ] - [ -0.0071003700000000, 0.0121210800000000, 0.0242553400000000 ] - [ -0.0078593700000000, -0.0139218800000000, 0.0249138400000000 ] - [ -0.0022945900000000, -0.0016296600000000, 0.0077149600000000 ] - [ 0.0245600200000000, -0.0015216400000000, 0.0270572700000000 ] - [ -0.0006006800000000, 0.0001414200000000, -0.0023607300000000 ] - [ -0.0002615100000000, -0.0002378700000000, -0.0025644800000000 ] - [ -0.0001562400000000, -0.0002278500000000, 0.0006369400000000 ] - [ -0.0028225000000000, -0.0010094700000000, -0.0019244800000000 ] - [ 0.0002579600000000, -0.0000051900000000, -0.0009541000000000 ] - [ -0.0003350900000000, 0.0001649400000000, -0.0013945900000000 ] - [ -0.0015420900000000, 0.0008443900000000, -0.0020804300000000 ] - [ -0.0007191800000000, -0.0001395800000000, -0.0012699000000000 ] - [ -0.0000989700000000, -0.0000019100000000, -0.0018425300000000 ] - [ -0.0003435400000000, -0.0001717700000000, -0.0014226100000000 ] - [ 0.0003363600000000, -0.0000052000000000, -0.0014340600000000 ] - [ -0.0007754700000000, 0.0001452800000000, -0.0013933300000000 ] - [ 0.0001946300000000, 0.0000014500000000, -0.0014180100000000 ] - [ -0.0001791300000000, 0.0000818400000000, -0.0014038700000000 ] - [ -0.0000237100000000, 0.0000064800000000, -0.0018532300000000 ] - [ -0.0001708600000000, -0.0000310000000000, -0.0012752200000000 ] - [ 0.0000727800000000, 0.0000084900000000, -0.0018073700000000 ] - [ -0.0001858100000000, -0.0000768200000000, -0.0013622500000000 ] - [ 0.0002105100000000, 0.0000017000000000, -0.0013616100000000 ] - [ -0.0001568800000000, 0.0000355100000000, -0.0013213500000000 ] - [ 0.0002739600000000, -0.0000044800000000, -0.0014142900000000 ] - [ -0.0006764700000000, 0.0002331300000000, -0.0014114000000000 ] - [ -0.0000194300000000, -0.0000020700000000, -0.0019872300000000 ] - [ -0.0002311600000000, -0.0001776500000000, -0.0013481200000000 ] - [ -0.0012473700000000, 0.0010972600000000, -0.0022458600000000 ] - [ 0.0002176500000000, -0.0000985400000000, -0.0012820300000000 ] - [ 0.0001283500000000, 0.0002126300000000, -0.0018781300000000 ] - [ -0.0002209500000000, 0.0001693300000000, -0.0013186300000000 ] - [ -0.0018543500000000, -0.0009493200000000, -0.0011781100000000 ] - [ 0.0289803000000000, 0.0043985300000000, 0.0311747600000000 ] - [ -0.0001325900000000, -0.0002732100000000, -0.0025591400000000 ] - [ 0.0000506000000000, 0.0001183500000000, 0.0003118100000000 ] - [ -0.0064501000000000, -0.0121958400000000, 0.0230033300000000 ] - [ -0.0010734300000000, 0.0004331700000000, 0.0069690700000000 ] - [ -0.0063304900000000, 0.0180689900000000, 0.0271880300000000 ] - [ -0.0004215900000000, 0.0001435100000000, -0.0019660100000000 ] - [ -0.0025438500000000, 0.0006850100000000, 0.0037462500000000 ] - [ -0.0023507400000000, -0.0009358700000000, 0.0042785200000000 ] - [ 0.0019526800000000, -0.0000572600000000, 0.0051482300000000 ] - [ 0.0029128000000000, -0.0002015400000000, 0.0038232200000000 ]- atom: 38 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0070577500000000, -0.0003221400000000, 0.0006914900000000 ] - [ -0.0010683100000000, -0.0000467300000000, -0.0006391900000000 ] - [ -0.0000903600000000, -0.0000040500000000, -0.0013231400000000 ] - [ 0.0000869800000000, -0.0000453300000000, -0.0014617700000000 ] - [ -0.0000385300000000, -0.0000039100000000, -0.0013362900000000 ] - [ -0.0000171100000000, -0.0000009400000000, -0.0015782700000000 ] - [ -0.0009140800000000, -0.0000457700000000, -0.0007819000000000 ] - [ 0.0001531400000000, -0.0000439000000000, -0.0015654700000000 ] - [ -0.0016003700000000, -0.0049954400000000, 0.0147303900000000 ] - [ 0.0005298200000000, -0.0002438900000000, 0.0010526100000000 ] - [ -0.0076881300000000, 0.0059101400000000, -0.0012418000000000 ] - [ 0.0013859500000000, -0.0006712600000000, -0.0024518000000000 ] - [ -0.0000361000000000, -0.0000046800000000, -0.0014402800000000 ] - [ -0.0004191300000000, -0.0000246200000000, -0.0016116800000000 ] - [ 0.0000023700000000, -0.0000049800000000, -0.0014367300000000 ] - [ -0.0000220800000000, -0.0000008500000000, -0.0015776100000000 ] - [ 0.0012022700000000, -0.0006868500000000, -0.0022098100000000 ] - [ -0.0002937500000000, -0.0000274400000000, -0.0016893500000000 ] - [ -0.0004154900000000, -0.0049045200000000, 0.0140045600000000 ] - [ -0.0054386400000000, -0.0123008300000000, -0.0130053800000000 ] - [ 0.0054799900000000, 0.0053034600000000, -0.0118372300000000 ] - [ 0.0011859200000000, -0.0003757200000000, 0.0027083500000000 ] - [ 0.0011627700000000, -0.0001752800000000, -0.0011726400000000 ] - [ -0.0001103900000000, 0.0000083200000000, -0.0018498700000000 ] - [ 0.0009851600000000, 0.0001710200000000, -0.0012377200000000 ] - [ -0.0001959800000000, 0.0001912100000000, -0.0021592900000000 ] - [ 0.0000559800000000, 0.0000068000000000, -0.0019502100000000 ] - [ 0.0000253800000000, 0.0000016400000000, -0.0022038200000000 ] - [ 0.0000088100000000, -0.0001802500000000, -0.0021634600000000 ] - [ 0.0006145000000000, 0.0001444300000000, -0.0027150700000000 ] - [ 0.0004677400000000, 0.0001412200000000, -0.0026726500000000 ] - [ -0.0001167000000000, 0.0000661600000000, -0.0021562700000000 ] - [ 0.0000527300000000, -0.0000573700000000, -0.0021646400000000 ] - [ 0.0000045700000000, 0.0000017600000000, -0.0021979400000000 ] - [ 0.0011346300000000, -0.0000447600000000, -0.0013552300000000 ] - [ 0.0101584500000000, -0.0002322400000000, 0.0014655700000000 ] - [ 0.0009703500000000, 0.0000470200000000, -0.0014064600000000 ] - [ 0.0404006500000000, 0.0230926000000000, 0.1665121900000000 ] - [ -0.0017983500000000, -0.0002464500000000, 0.0082692000000000 ] - [ 0.0048921100000000, 0.0050851000000000, -0.0103749300000000 ] - [ -0.0027414300000000, -0.0004148900000000, 0.0017098400000000 ] - [ -0.0095107800000000, -0.0208643800000000, -0.0234645400000000 ] - [ -0.0011100000000000, -0.0002058700000000, -0.0027651800000000 ] - [ -0.0000491600000000, 0.0000236100000000, -0.0026537500000000 ] - [ -0.0022631600000000, 0.0002236000000000, -0.0039865800000000 ] - [ 0.0000162200000000, 0.0001804500000000, -0.0021537400000000 ] - [ 0.0000932600000000, 0.0000261800000000, -0.0026040300000000 ] - [ 0.0000216300000000, 0.0000016400000000, -0.0022761000000000 ] - [ -0.0002057700000000, -0.0001906300000000, -0.0021676800000000 ] - [ -0.0002927300000000, 0.0000527600000000, -0.0020524600000000 ] - [ -0.0006201100000000, 0.0000463100000000, -0.0019753600000000 ] - [ 0.0000598200000000, 0.0000575100000000, -0.0021551800000000 ] - [ -0.0001271300000000, -0.0000653700000000, -0.0021656700000000 ] - [ 0.0000054400000000, 0.0000016700000000, -0.0022722300000000 ] - [ -0.0007230600000000, 0.0003209400000000, -0.0024674400000000 ] - [ -0.0110001600000000, 0.0108062700000000, -0.0016830300000000 ] - [ -0.0019552800000000, -0.0002769400000000, -0.0037669400000000 ] - [ 0.0000751000000000, 0.0002434800000000, 0.0084414800000000 ] - [ -0.0066742300000000, 0.0006797600000000, 0.0346562900000000 ] - [ -0.0019989700000000, -0.0004152300000000, 0.0012645000000000 ] - [ 0.0002386500000000, 0.0000250400000000, -0.0007895400000000 ] - [ -0.0003331100000000, -0.0000068000000000, 0.0013730200000000 ] - [ -0.0001383700000000, -0.0001487700000000, 0.0054267000000000 ] - [ -0.0028876200000000, -0.0000149200000000, 0.0006532700000000 ] - [ -0.0001641600000000, -0.0001745400000000, 0.0018960700000000 ] - [ 0.0000212700000000, -0.0001212000000000, 0.0012381900000000 ] - [ -0.0015946100000000, 0.0000967700000000, 0.0009642500000000 ] - [ -0.0003925700000000, 0.0001069300000000, 0.0012353800000000 ] - [ -0.0002558800000000, 0.0000008300000000, 0.0019285500000000 ] - [ 0.0000098400000000, 0.0001218100000000, 0.0012572700000000 ] - [ -0.0001595900000000, 0.0000069600000000, 0.0013075700000000 ] - [ -0.0005884100000000, -0.0000962100000000, 0.0014545700000000 ] - [ -0.0003004500000000, -0.0000008100000000, 0.0013155500000000 ] - [ 0.0001670200000000, -0.0002025300000000, 0.0012297500000000 ] - [ -0.0001849600000000, -0.0000053800000000, 0.0018894100000000 ] - [ 0.0001745100000000, 0.0002555500000000, 0.0013533500000000 ] - [ -0.0000876700000000, -0.0000050000000000, 0.0019591100000000 ] - [ 0.0001613800000000, 0.0002071900000000, 0.0012663200000000 ] - [ -0.0002850400000000, -0.0000006500000000, 0.0013769600000000 ] - [ 0.0001877400000000, -0.0002514900000000, 0.0013114500000000 ] - [ -0.0002177400000000, 0.0000079000000000, 0.0013206200000000 ] - [ -0.0004638700000000, -0.0000714000000000, 0.0014367600000000 ] - [ -0.0001812200000000, 0.0000007300000000, 0.0017660900000000 ] - [ 0.0001190500000000, 0.0001140100000000, 0.0013357100000000 ] - [ -0.0014329000000000, 0.0000423600000000, 0.0009563400000000 ] - [ 0.0005383400000000, 0.0001721000000000, 0.0012008800000000 ] - [ -0.0003164500000000, 0.0000112500000000, 0.0010205600000000 ] - [ 0.0001306700000000, -0.0001138100000000, 0.0013157600000000 ] - [ -0.0020856300000000, -0.0000464300000000, 0.0008984000000000 ] - [ -0.0029273100000000, 0.0008865800000000, -0.0038033600000000 ] - [ -0.0001925500000000, -0.0000105400000000, 0.0013567300000000 ] - [ 0.0001318000000000, 0.0002679200000000, 0.0055352700000000 ] - [ 0.0028145300000000, 0.0009562400000000, -0.0045337900000000 ] - [ -0.0018343000000000, -0.0007070300000000, -0.0049106500000000 ] - [ 0.0041058600000000, -0.0009863800000000, -0.0038445100000000 ] - [ 0.0002703100000000, 0.0000397200000000, -0.0004197700000000 ] - [ 0.0074485800000000, -0.0127508900000000, -0.0243370100000000 ] - [ 0.0075802600000000, 0.0134396000000000, -0.0247715600000000 ] - [ 0.0023851000000000, 0.0016838000000000, -0.0076772600000000 ] - [ -0.0260022500000000, 0.0014200900000000, -0.0278051600000000 ] - [ 0.0005399900000000, 0.0001342900000000, 0.0023394100000000 ] - [ 0.0000630900000000, 0.0002424700000000, 0.0028565700000000 ] - [ 0.0001050700000000, -0.0000424700000000, -0.0006537000000000 ] - [ 0.0027787900000000, 0.0010106200000000, 0.0018968100000000 ] - [ -0.0004101700000000, 0.0000050800000000, 0.0008751000000000 ] - [ 0.0002101900000000, -0.0001870100000000, 0.0014851500000000 ] - [ 0.0016990200000000, -0.0008463100000000, 0.0018387000000000 ] - [ 0.0006082400000000, 0.0001390600000000, 0.0012460300000000 ] - [ -0.0002045800000000, 0.0000019200000000, 0.0020006900000000 ] - [ 0.0002187500000000, 0.0001941500000000, 0.0015109700000000 ] - [ -0.0004286900000000, 0.0000053100000000, 0.0014548200000000 ] - [ 0.0006642700000000, -0.0001447500000000, 0.0013674200000000 ] - [ -0.0002546500000000, -0.0000015700000000, 0.0013564900000000 ] - [ 0.0001605400000000, -0.0002072500000000, 0.0012692100000000 ] - [ -0.0000199200000000, -0.0000064300000000, 0.0017515700000000 ] - [ 0.0001880700000000, 0.0002512500000000, 0.0013100200000000 ] - [ 0.0000529400000000, -0.0000084900000000, 0.0018343800000000 ] - [ 0.0001670400000000, 0.0002021300000000, 0.0012260600000000 ] - [ -0.0002469800000000, -0.0000016200000000, 0.0014139300000000 ] - [ 0.0001737300000000, -0.0002557000000000, 0.0013540600000000 ] - [ -0.0004404300000000, 0.0000043700000000, 0.0014516300000000 ] - [ 0.0006204100000000, -0.0002080800000000, 0.0013445100000000 ] - [ -0.0001383400000000, 0.0000020700000000, 0.0018292600000000 ] - [ 0.0003031100000000, 0.0001763900000000, 0.0015530700000000 ] - [ 0.0014983300000000, -0.0010953200000000, 0.0021950100000000 ] - [ -0.0002682000000000, 0.0000740600000000, 0.0012142600000000 ] - [ -0.0001092300000000, -0.0002077200000000, 0.0019548100000000 ] - [ 0.0002932800000000, -0.0001680400000000, 0.0015218800000000 ] - [ 0.0019255300000000, 0.0009465500000000, 0.0012039400000000 ] - [ -0.0273294400000000, -0.0042163900000000, -0.0303241700000000 ] - [ 0.0001820700000000, 0.0002669200000000, 0.0025905500000000 ] - [ 0.0001693400000000, -0.0000050400000000, -0.0003482400000000 ] - [ 0.0067225500000000, 0.0126575200000000, -0.0229206400000000 ] - [ 0.0011167500000000, -0.0004771400000000, -0.0069499900000000 ] - [ 0.0062721700000000, -0.0173462600000000, -0.0269181300000000 ] - [ 0.0006513400000000, -0.0002609100000000, 0.0019328300000000 ] - [ 0.0025228600000000, -0.0006840900000000, -0.0035267000000000 ] - [ 0.0023891400000000, 0.0009378900000000, -0.0042904900000000 ] - [ -0.0018512500000000, 0.0001086200000000, -0.0050940600000000 ] - [ -0.0028070100000000, 0.0001498000000000, -0.0037689400000000 ]- atom: 40 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0005350000000000, 0.0000000000000000, -0.0006730000000000 ] - [ -0.0001409100000000, 0.0000000000000000, 0.0000615600000000 ] - [ -0.0000468700000000, 0.0000000000000000, -0.0000682900000000 ] - [ -0.0000576100000000, 0.0000000000000000, -0.0000106700000000 ] - [ 0.0004852400000000, 0.0000000000000000, -0.0004104700000000 ] - [ 0.0001718500000000, 0.0000000000000000, -0.0000297300000000 ] - [ 0.0061606600000000, 0.0000000000000000, 0.0004887700000000 ] - [ 0.0000209700000000, 0.0000000000000000, -0.0015321900000000 ] - [ -0.0021353200000000, 0.0000000000000000, 0.0047961400000000 ] - [ 0.0121278400000000, 0.0000000000000000, 0.0051542400000000 ] - [ -0.0007695100000000, 0.0000000000000000, 0.0003721800000000 ] - [ 0.0000043600000000, 0.0000000000000000, -0.0001603200000000 ] - [ -0.0000696700000000, 0.0000000000000000, -0.0000268600000000 ] - [ -0.0001383100000000, 0.0000000000000000, 0.0000105000000000 ] - [ -0.0005471000000000, 0.0000000000000000, 0.0004330300000000 ] - [ -0.0000770400000000, 0.0000000000000000, -0.0000703700000000 ] - [ -0.0111975800000000, 0.0000000000000000, 0.0055033900000000 ] - [ 0.0018122300000000, 0.0000000000000000, 0.0014260300000000 ] - [ 0.0025845000000000, 0.0000000000000000, -0.0021206300000000 ] - [ 0.0036639100000000, 0.0000000000000000, -0.0051998400000000 ] - [ 0.0001059300000000, 0.0000000000000000, -0.0009210700000000 ] - [ 0.0010611600000000, 0.0000000000000000, 0.0001923000000000 ] - [ 0.0002434100000000, -0.0001885100000000, -0.0000748900000000 ] - [ -0.0001452000000000, 0.0000000000000000, 0.0000096700000000 ] - [ 0.0002434100000000, 0.0001885100000000, -0.0000748900000000 ] - [ -0.0000968500000000, 0.0000911100000000, -0.0000638300000000 ] - [ 0.0007611700000000, 0.0000000000000000, -0.0031204200000000 ] - [ 0.0001420600000000, 0.0000000000000000, -0.0002274300000000 ] - [ 0.0000270900000000, -0.0000903600000000, -0.0000831400000000 ] - [ -0.0084460000000000, 0.0000000000000000, -0.0000050100000000 ] - [ -0.0001503700000000, 0.0000000000000000, -0.0001104000000000 ] - [ 0.0007944600000000, -0.0002287000000000, 0.0002409700000000 ] - [ -0.0005805900000000, 0.0000182200000000, -0.0004944600000000 ] - [ -0.0000570500000000, 0.0000000000000000, -0.0001990300000000 ] - [ 0.0092336800000000, -0.0115307500000000, -0.0117691800000000 ] - [ -0.0037386200000000, 0.0000000000000000, 0.0054742300000000 ] - [ 0.0092336800000000, 0.0115307500000000, -0.0117691800000000 ] - [ -0.0032760100000000, 0.0003707600000000, -0.0044609900000000 ] - [ 0.0033728000000000, 0.0004543200000000, 0.0015314400000000 ] - [ -0.1579567300000000, 0.0000000000000000, -0.0050320500000000 ] - [ 0.0000301600000000, 0.0000000000000000, 0.0007063400000000 ] - [ -0.0005559800000000, 0.0000000000000000, -0.0003097300000000 ] - [ -0.0002056500000000, -0.0001391900000000, -0.0000877500000000 ] - [ -0.0001650200000000, 0.0000000000000000, -0.0000229800000000 ] - [ -0.0002056500000000, 0.0001391900000000, -0.0000877500000000 ] - [ 0.0000270900000000, 0.0000903600000000, -0.0000831400000000 ] - [ -0.0012841400000000, 0.0000000000000000, 0.0027958700000000 ] - [ -0.0002911700000000, 0.0000000000000000, 0.0001428600000000 ] - [ -0.0000968500000000, -0.0000911100000000, -0.0000638300000000 ] - [ 0.0037708600000000, 0.0000000000000000, -0.0002690500000000 ] - [ -0.0001874300000000, 0.0000000000000000, -0.0000141400000000 ] - [ -0.0005805900000000, -0.0000182200000000, -0.0004944600000000 ] - [ 0.0007944600000000, 0.0002287000000000, 0.0002409700000000 ] - [ -0.0000696800000000, 0.0000000000000000, 0.0001232600000000 ] - [ 0.0114209000000000, -0.0057767600000000, 0.0097159700000000 ] - [ 0.0123364200000000, 0.0000000000000000, -0.0065059600000000 ] - [ 0.0114209000000000, 0.0057767600000000, 0.0097159700000000 ] - [ 0.0033728000000000, -0.0004543200000000, 0.0015314400000000 ] - [ -0.0032760100000000, -0.0003707600000000, -0.0044609900000000 ] - [ 0.0069735100000000, 0.0000000000000000, 0.0004204300000000 ] - [ -0.0002407600000000, 0.0001880700000000, -0.0002260100000000 ] - [ -0.0001591100000000, 0.0000000000000000, 0.0001488400000000 ] - [ 0.0001663600000000, -0.0000423300000000, 0.0002861200000000 ] - [ -0.0003272300000000, 0.0000000000000000, 0.0002277100000000 ] - [ -0.0000307200000000, 0.0000000000000000, 0.0000245900000000 ] - [ -0.0000739800000000, -0.0000129600000000, 0.0000854200000000 ] - [ -0.0000705600000000, 0.0000000000000000, 0.0000086300000000 ] - [ -0.0000841300000000, -0.0000017600000000, 0.0000598500000000 ] - [ -0.0001903500000000, 0.0000000000000000, 0.0001705200000000 ] - [ -0.0000739800000000, 0.0000129600000000, 0.0000854200000000 ] - [ -0.0000336700000000, 0.0000000000000000, 0.0000433400000000 ] - [ -0.0000841300000000, 0.0000017600000000, 0.0000598500000000 ] - [ -0.0000967100000000, 0.0000000000000000, 0.0000510600000000 ] - [ -0.0002123300000000, -0.0000306500000000, 0.0000238800000000 ] - [ -0.0000398700000000, 0.0000000000000000, 0.0000078400000000 ] - [ -0.0000354900000000, 0.0000991100000000, 0.0000025200000000 ] - [ 0.0009686200000000, 0.0000000000000000, 0.0002345000000000 ] - [ 0.0002346400000000, 0.0000838900000000, -0.0000488700000000 ] - [ 0.0000549500000000, 0.0000000000000000, 0.0002608200000000 ] - [ 0.0000590100000000, -0.0001295300000000, 0.0001024000000000 ] - [ -0.0014611400000000, 0.0000000000000000, 0.0004704600000000 ] - [ 0.0051147100000000, 0.0016569400000000, 0.0031923900000000 ] - [ 0.0000213200000000, 0.0000000000000000, 0.0002868000000000 ] - [ 0.0002542500000000, 0.0002604900000000, 0.0011216700000000 ] - [ 0.0030335300000000, 0.0000000000000000, 0.0004366900000000 ] - [ -0.0030007000000000, -0.0004856100000000, -0.0012107300000000 ] - [ -0.0017129300000000, 0.0000000000000000, 0.0016239700000000 ] - [ 0.0002542500000000, -0.0002604900000000, 0.0011216700000000 ] - [ 0.0785150000000000, 0.0000000000000000, -0.0174379100000000 ] - [ -0.0028131400000000, -0.0017307400000000, -0.0048406700000000 ] - [ -0.0039848800000000, 0.0000000000000000, 0.0059061100000000 ] - [ 0.0231186600000000, 0.0324006200000000, 0.0096846600000000 ] - [ -0.0003965600000000, 0.0000000000000000, -0.0013093900000000 ] - [ -0.0028131400000000, 0.0017307400000000, -0.0048406700000000 ] - [ -0.0044038700000000, 0.0000000000000000, 0.0004495300000000 ] - [ -0.0071593700000000, 0.0022354700000000, -0.0008807900000000 ] - [ 0.0010813100000000, 0.0000000000000000, 0.0005809000000000 ] - [ 0.0088532400000000, 0.0000000000000000, 0.0062360000000000 ] - [ 0.0009815900000000, 0.0001912300000000, 0.0000384300000000 ] - [ 0.0009815900000000, -0.0001912300000000, 0.0000384300000000 ] - [ 0.0001663600000000, 0.0000423300000000, 0.0002861200000000 ] - [ -0.0000458800000000, 0.0000000000000000, 0.0002536100000000 ] - [ -0.0002407600000000, -0.0001880700000000, -0.0002260100000000 ] - [ 0.0002796400000000, 0.0000000000000000, -0.0001085300000000 ] - [ -0.0001285200000000, 0.0000000000000000, -0.0000343800000000 ] - [ -0.0000388200000000, -0.0000181700000000, 0.0000805300000000 ] - [ 0.0002620100000000, 0.0000000000000000, -0.0001810300000000 ] - [ -0.0000211800000000, 0.0000038800000000, -0.0000065100000000 ] - [ -0.0001121900000000, 0.0000000000000000, 0.0000935200000000 ] - [ -0.0000388200000000, 0.0000181700000000, 0.0000805300000000 ] - [ -0.0000722200000000, 0.0000000000000000, 0.0000569000000000 ] - [ -0.0000211800000000, -0.0000038800000000, -0.0000065100000000 ] - [ 0.0000233400000000, 0.0000000000000000, -0.0000252500000000 ] - [ 0.0002346400000000, -0.0000838900000000, -0.0000488700000000 ] - [ -0.0000074100000000, 0.0000000000000000, -0.0000005500000000 ] - [ 0.0000590100000000, 0.0001295300000000, 0.0001024000000000 ] - [ -0.0006489400000000, 0.0000000000000000, -0.0001230100000000 ] - [ -0.0002123300000000, 0.0000306500000000, 0.0000238800000000 ] - [ -0.0001033600000000, 0.0000000000000000, -0.0001961600000000 ] - [ -0.0000354900000000, -0.0000991100000000, 0.0000025200000000 ] - [ 0.0012015200000000, 0.0000000000000000, 0.0002420800000000 ] - [ -0.0030007000000000, 0.0004856100000000, -0.0012107300000000 ] - [ -0.0002339900000000, 0.0000000000000000, -0.0003220000000000 ] - [ -0.0004029300000000, -0.0001421300000000, -0.0011067100000000 ] - [ -0.0078589400000000, 0.0000000000000000, -0.0016452300000000 ] - [ 0.0051147100000000, -0.0016569400000000, 0.0031923900000000 ] - [ 0.0002275000000000, 0.0000000000000000, -0.0057182800000000 ] - [ -0.0004029300000000, 0.0001421300000000, -0.0011067100000000 ] - [ -0.0060342300000000, 0.0000000000000000, 0.0003538500000000 ] - [ -0.0018785600000000, -0.0013547700000000, 0.0045009900000000 ] - [ -0.0002827900000000, 0.0000000000000000, -0.0052748200000000 ] - [ -0.0071593700000000, -0.0022354700000000, -0.0008807900000000 ] - [ 0.0003525800000000, 0.0000000000000000, 0.0017829200000000 ] - [ -0.0018785600000000, 0.0013547700000000, 0.0045009900000000 ] - [ 0.0049843800000000, 0.0000000000000000, 0.0016424900000000 ] - [ 0.0231186600000000, -0.0324006200000000, 0.0096846600000000 ] - [ -0.0007037000000000, 0.0000000000000000, -0.0012905900000000 ] - [ -0.0028566400000000, 0.0000000000000000, -0.0004516400000000 ] - [ -0.0010926300000000, -0.0001002400000000, 0.0004142400000000 ] - [ -0.0010926300000000, 0.0001002400000000, 0.0004142400000000 ]- atom: 40 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0004825900000000, 0.0000000000000000, 0.0005158000000000 ] - [ -0.0000069100000000, 0.0000000000000000, -0.0000984900000000 ] - [ -0.0000693100000000, 0.0000000000000000, 0.0000496100000000 ] - [ -0.0001406800000000, 0.0000000000000000, 0.0001001100000000 ] - [ -0.0004978100000000, 0.0000000000000000, 0.0003807100000000 ] - [ -0.0001007400000000, 0.0000000000000000, 0.0000232700000000 ] - [ -0.0060954300000000, 0.0000000000000000, -0.0004304000000000 ] - [ -0.0000155300000000, 0.0000000000000000, 0.0014750500000000 ] - [ 0.0021373200000000, 0.0000000000000000, -0.0049024700000000 ] - [ -0.0119895100000000, 0.0000000000000000, -0.0051825000000000 ] - [ 0.0008450700000000, 0.0000000000000000, -0.0005277300000000 ] - [ -0.0001561000000000, 0.0000000000000000, 0.0001259400000000 ] - [ -0.0000464500000000, 0.0000000000000000, 0.0000084800000000 ] - [ -0.0000592600000000, 0.0000000000000000, 0.0000792100000000 ] - [ 0.0005345300000000, 0.0000000000000000, -0.0004638100000000 ] - [ 0.0001485500000000, 0.0000000000000000, 0.0000636800000000 ] - [ 0.0112765500000000, 0.0000000000000000, -0.0054952700000000 ] - [ -0.0018093400000000, 0.0000000000000000, -0.0014806200000000 ] - [ -0.0026263400000000, 0.0000000000000000, 0.0020332600000000 ] - [ -0.0034683000000000, 0.0000000000000000, 0.0051874900000000 ] - [ 0.0000062200000000, 0.0000000000000000, 0.0008901100000000 ] - [ -0.0008993100000000, 0.0000000000000000, -0.0002037200000000 ] - [ -0.0002094900000000, -0.0001138400000000, 0.0000456400000000 ] - [ -0.0001660900000000, 0.0000000000000000, 0.0001112300000000 ] - [ -0.0002094900000000, 0.0001138400000000, 0.0000456400000000 ] - [ 0.0000275100000000, 0.0000880200000000, 0.0000429500000000 ] - [ -0.0007603000000000, 0.0000000000000000, 0.0031666700000000 ] - [ -0.0002313400000000, 0.0000000000000000, 0.0002808000000000 ] - [ -0.0000969700000000, -0.0000892800000000, 0.0000623200000000 ] - [ 0.0085580000000000, 0.0000000000000000, -0.0001519300000000 ] - [ -0.0001838600000000, 0.0000000000000000, 0.0001196900000000 ] - [ -0.0007504400000000, 0.0001442900000000, -0.0002630300000000 ] - [ 0.0006267900000000, 0.0000652500000000, 0.0004710100000000 ] - [ -0.0000672800000000, 0.0000000000000000, 0.0002612200000000 ] - [ -0.0090310500000000, 0.0115336000000000, 0.0118078600000000 ] - [ 0.0037314600000000, 0.0000000000000000, -0.0055054300000000 ] - [ -0.0090310500000000, -0.0115336000000000, 0.0118078600000000 ] - [ 0.0032649500000000, -0.0003908800000000, 0.0044182700000000 ] - [ -0.0033394100000000, -0.0004741800000000, -0.0016331100000000 ] - [ 0.1628749800000000, 0.0000000000000000, 0.0021702500000000 ] - [ 0.0000927700000000, 0.0000000000000000, -0.0007474300000000 ] - [ 0.0007215900000000, 0.0000000000000000, 0.0003231700000000 ] - [ 0.0002427500000000, -0.0001626400000000, 0.0000624200000000 ] - [ -0.0001462600000000, 0.0000000000000000, 0.0001451400000000 ] - [ 0.0002427500000000, 0.0001626400000000, 0.0000624200000000 ] - [ -0.0000969700000000, 0.0000892800000000, 0.0000623200000000 ] - [ 0.0012843200000000, 0.0000000000000000, -0.0027597900000000 ] - [ 0.0002015800000000, 0.0000000000000000, -0.0000899100000000 ] - [ 0.0000275100000000, -0.0000880200000000, 0.0000429500000000 ] - [ -0.0036674600000000, 0.0000000000000000, 0.0001488400000000 ] - [ -0.0001478700000000, 0.0000000000000000, 0.0000236400000000 ] - [ 0.0006267900000000, -0.0000652500000000, 0.0004710100000000 ] - [ -0.0007504400000000, -0.0001442900000000, -0.0002630300000000 ] - [ -0.0000545700000000, 0.0000000000000000, -0.0000607800000000 ] - [ -0.0111550900000000, 0.0056599800000000, -0.0096893800000000 ] - [ -0.0123549300000000, 0.0000000000000000, 0.0064248300000000 ] - [ -0.0111550900000000, -0.0056599800000000, -0.0096893800000000 ] - [ -0.0033394100000000, 0.0004741800000000, -0.0016331100000000 ] - [ 0.0032649500000000, 0.0003908800000000, 0.0044182700000000 ] - [ -0.0068902700000000, 0.0000000000000000, -0.0004378900000000 ] - [ 0.0001893300000000, 0.0000849000000000, 0.0002197800000000 ] - [ -0.0000412000000000, 0.0000000000000000, 0.0001390500000000 ] - [ -0.0002169000000000, -0.0002294900000000, -0.0002994300000000 ] - [ 0.0002767700000000, 0.0000000000000000, -0.0002480700000000 ] - [ -0.0001208900000000, 0.0000000000000000, -0.0001016800000000 ] - [ -0.0000496300000000, -0.0000116800000000, 0.0000040300000000 ] - [ 0.0002215600000000, 0.0000000000000000, -0.0002467500000000 ] - [ -0.0000275300000000, 0.0000000600000000, -0.0000845300000000 ] - [ -0.0001129200000000, 0.0000000000000000, -0.0000157400000000 ] - [ -0.0000496300000000, 0.0000116800000000, 0.0000040300000000 ] - [ -0.0000588200000000, 0.0000000000000000, -0.0000223200000000 ] - [ -0.0000275300000000, -0.0000000600000000, -0.0000845300000000 ] - [ 0.0000379800000000, 0.0000000000000000, -0.0001131400000000 ] - [ 0.0001955500000000, -0.0000982900000000, -0.0001593400000000 ] - [ -0.0000022700000000, 0.0000000000000000, -0.0001090100000000 ] - [ 0.0000536900000000, 0.0001185200000000, 0.0000299700000000 ] - [ -0.0008418800000000, 0.0000000000000000, -0.0002099500000000 ] - [ -0.0002515800000000, 0.0000444500000000, -0.0000862300000000 ] - [ -0.0000935700000000, 0.0000000000000000, -0.0002086500000000 ] - [ -0.0000415400000000, -0.0000887200000000, -0.0000691800000000 ] - [ 0.0012960700000000, 0.0000000000000000, -0.0004339200000000 ] - [ -0.0051858600000000, -0.0016370000000000, -0.0032667400000000 ] - [ -0.0001778000000000, 0.0000000000000000, -0.0004441700000000 ] - [ -0.0001823300000000, -0.0002645300000000, -0.0009181400000000 ] - [ -0.0027880500000000, 0.0000000000000000, -0.0005092500000000 ] - [ 0.0029481400000000, 0.0004572500000000, 0.0011324700000000 ] - [ 0.0017329000000000, 0.0000000000000000, -0.0015505100000000 ] - [ -0.0001823300000000, 0.0002645300000000, -0.0009181400000000 ] - [ -0.0832637900000000, 0.0000000000000000, 0.0191974700000000 ] - [ 0.0028670500000000, 0.0017875100000000, 0.0048848200000000 ] - [ 0.0040345000000000, 0.0000000000000000, -0.0058573700000000 ] - [ -0.0228897200000000, -0.0315562300000000, -0.0094911400000000 ] - [ 0.0003553300000000, 0.0000000000000000, 0.0015757100000000 ] - [ 0.0028670500000000, -0.0017875100000000, 0.0048848200000000 ] - [ 0.0047268800000000, 0.0000000000000000, -0.0005236800000000 ] - [ 0.0073743600000000, -0.0023402600000000, 0.0008248800000000 ] - [ -0.0010827200000000, 0.0000000000000000, -0.0003733400000000 ] - [ -0.0086948300000000, 0.0000000000000000, -0.0058449600000000 ] - [ -0.0008959500000000, -0.0001495300000000, -0.0000011500000000 ] - [ -0.0008959500000000, 0.0001495300000000, -0.0000011500000000 ] - [ -0.0002169000000000, 0.0002294900000000, -0.0002994300000000 ] - [ -0.0001545500000000, 0.0000000000000000, 0.0000313200000000 ] - [ 0.0001893300000000, -0.0000849000000000, 0.0002197800000000 ] - [ -0.0003385500000000, 0.0000000000000000, 0.0000847700000000 ] - [ -0.0000229900000000, 0.0000000000000000, -0.0000412100000000 ] - [ -0.0000844200000000, -0.0000071900000000, 0.0000088900000000 ] - [ -0.0001164200000000, 0.0000000000000000, -0.0000592500000000 ] - [ -0.0000930200000000, -0.0000054200000000, -0.0000181400000000 ] - [ -0.0001907700000000, 0.0000000000000000, 0.0000622600000000 ] - [ -0.0000844200000000, 0.0000071900000000, 0.0000088900000000 ] - [ -0.0000205300000000, 0.0000000000000000, -0.0000359400000000 ] - [ -0.0000930200000000, 0.0000054200000000, -0.0000181400000000 ] - [ -0.0000814500000000, 0.0000000000000000, -0.0000369100000000 ] - [ -0.0002515800000000, -0.0000444500000000, -0.0000862300000000 ] - [ -0.0000351600000000, 0.0000000000000000, -0.0001003200000000 ] - [ -0.0000415400000000, 0.0000887200000000, -0.0000691800000000 ] - [ 0.0007761600000000, 0.0000000000000000, 0.0001432700000000 ] - [ 0.0001955500000000, 0.0000982900000000, -0.0001593400000000 ] - [ 0.0000668400000000, 0.0000000000000000, 0.0002479100000000 ] - [ 0.0000536900000000, -0.0001185200000000, 0.0000299700000000 ] - [ -0.0013694100000000, 0.0000000000000000, -0.0002038500000000 ] - [ 0.0029481400000000, -0.0004572500000000, 0.0011324700000000 ] - [ 0.0000785700000000, 0.0000000000000000, 0.0001657100000000 ] - [ 0.0004785800000000, 0.0001407900000000, 0.0013122200000000 ] - [ 0.0080744200000000, 0.0000000000000000, 0.0015478600000000 ] - [ -0.0051858600000000, 0.0016370000000000, -0.0032667400000000 ] - [ -0.0001959000000000, 0.0000000000000000, 0.0057919400000000 ] - [ 0.0004785800000000, -0.0001407900000000, 0.0013122200000000 ] - [ 0.0061529000000000, 0.0000000000000000, -0.0003434300000000 ] - [ 0.0019357900000000, 0.0013735800000000, -0.0044740900000000 ] - [ 0.0003449000000000, 0.0000000000000000, 0.0053422600000000 ] - [ 0.0073743600000000, 0.0023402600000000, 0.0008248800000000 ] - [ -0.0003787100000000, 0.0000000000000000, -0.0015270800000000 ] - [ 0.0019357900000000, -0.0013735800000000, -0.0044740900000000 ] - [ -0.0046623000000000, 0.0000000000000000, -0.0017416700000000 ] - [ -0.0228897200000000, 0.0315562300000000, -0.0094911400000000 ] - [ 0.0006791500000000, 0.0000000000000000, 0.0015280600000000 ] - [ 0.0029048300000000, 0.0000000000000000, 0.0004288400000000 ] - [ 0.0011997600000000, 0.0001517400000000, -0.0003510600000000 ] - [ 0.0011997600000000, -0.0001517400000000, -0.0003510600000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000322000000000, -0.0001841600000000, -0.0000784900000000 ] - [ -0.0000786000000000, 0.0000090900000000, -0.0000161600000000 ] - [ -0.0000588600000000, 0.0000020600000000, -0.0000094000000000 ] - [ -0.0000991800000000, 0.0000025200000000, 0.0000428400000000 ] - [ -0.0000073300000000, 0.0001003700000000, -0.0000151700000000 ] - [ 0.0000351500000000, 0.0000106800000000, -0.0000037100000000 ] - [ 0.0000230200000000, 0.0002934300000000, 0.0000205100000000 ] - [ 0.0000017800000000, 0.0013533200000000, -0.0000265500000000 ] - [ -0.0000099900000000, -0.0006558400000000, -0.0000231300000000 ] - [ 0.0001411200000000, -0.0005893900000000, -0.0000107800000000 ] - [ 0.0000328800000000, -0.0002734300000000, -0.0000802300000000 ] - [ -0.0000788800000000, 0.0000184000000000, -0.0000165300000000 ] - [ -0.0000582500000000, 0.0000019700000000, -0.0000095400000000 ] - [ -0.0000990300000000, 0.0000035600000000, 0.0000430000000000 ] - [ -0.0000058100000000, 0.0000774100000000, -0.0000154000000000 ] - [ 0.0000353100000000, 0.0000093800000000, -0.0000039600000000 ] - [ 0.0000599000000000, 0.0182213600000000, 0.0000695500000000 ] - [ 0.0000017200000000, 0.0001334800000000, -0.0000300200000000 ] - [ -0.0000226700000000, 0.0013381300000000, -0.0000387900000000 ] - [ 0.0001819700000000, 0.0182334900000000, -0.0000016700000000 ] - [ 0.0000583300000000, -0.0000511100000000, -0.0000199800000000 ] - [ 0.0000826100000000, 0.0001420100000000, -0.0000059100000000 ] - [ 0.0000116000000000, -0.0001488300000000, -0.0000223300000000 ] - [ -0.0001561700000000, -0.0000003100000000, 0.0000614500000000 ] - [ 0.0000258500000000, 0.0001503600000000, -0.0000042800000000 ] - [ -0.0000360300000000, 0.0000899600000000, -0.0000122900000000 ] - [ -0.0000019300000000, -0.0003370300000000, 0.0000193800000000 ] - [ -0.0000452300000000, -0.0000279900000000, 0.0000259300000000 ] - [ -0.0000332600000000, -0.0000902000000000, -0.0000091600000000 ] - [ 0.0000542900000000, -0.0042894000000000, -0.0000733500000000 ] - [ -0.0001694900000000, -0.0000052800000000, 0.0000039800000000 ] - [ -0.0000563000000000, -0.0000475300000000, -0.0000561600000000 ] - [ 0.0001202300000000, 0.0000396300000000, 0.0001217500000000 ] - [ -0.0000626500000000, -0.0000039200000000, 0.0000304400000000 ] - [ -0.0049877600000000, 0.0004003400000000, 0.0008999800000000 ] - [ -0.0000960300000000, 0.0094391800000000, -0.0000447100000000 ] - [ 0.0052328500000000, 0.0005085700000000, -0.0009215300000000 ] - [ -0.0007748600000000, 0.0004205400000000, -0.0051306300000000 ] - [ -0.0003930400000000, -0.0000015100000000, -0.0004008400000000 ] - [ -0.0023333000000000, -0.1662613600000000, -0.0016854300000000 ] - [ 0.0000588800000000, 0.0000347300000000, -0.0000175900000000 ] - [ 0.0000838000000000, 0.0003411700000000, -0.0000026500000000 ] - [ 0.0000008000000000, -0.0001487400000000, -0.0000418600000000 ] - [ -0.0001559000000000, -0.0000016700000000, 0.0000618900000000 ] - [ 0.0000366400000000, 0.0001502700000000, 0.0000156000000000 ] - [ -0.0000366100000000, 0.0000900200000000, -0.0000124000000000 ] - [ 0.0000020000000000, -0.0004412800000000, 0.0000185400000000 ] - [ -0.0000445000000000, -0.0000221300000000, 0.0000255100000000 ] - [ -0.0000333000000000, -0.0000903500000000, -0.0000091900000000 ] - [ 0.0000472200000000, 0.0000140900000000, -0.0000626200000000 ] - [ -0.0001694100000000, -0.0000067600000000, 0.0000040200000000 ] - [ -0.0000745400000000, -0.0000442900000000, -0.0001442400000000 ] - [ 0.0000996000000000, 0.0000359200000000, 0.0000313400000000 ] - [ -0.0000624600000000, -0.0000073500000000, 0.0000296900000000 ] - [ -0.0126918200000000, 0.0005297700000000, -0.0090127100000000 ] - [ -0.0000510300000000, -0.0041507000000000, 0.0000001200000000 ] - [ 0.0129835000000000, 0.0005846000000000, 0.0089917900000000 ] - [ 0.0004410200000000, 0.0000214900000000, 0.0003148900000000 ] - [ 0.0008293100000000, 0.0004747300000000, 0.0050178400000000 ] - [ 0.0000415300000000, -0.0008615000000000, -0.0000076800000000 ] - [ -0.0000534000000000, 0.0001502600000000, 0.0000113300000000 ] - [ -0.0000979300000000, 0.0000000200000000, 0.0001460100000000 ] - [ -0.0000060800000000, -0.0001363200000000, -0.0000583900000000 ] - [ -0.0000282900000000, -0.0000131300000000, -0.0000097100000000 ] - [ -0.0000776900000000, 0.0000036800000000, -0.0000380500000000 ] - [ -0.0000625400000000, -0.0000089600000000, 0.0000454300000000 ] - [ 0.0000733400000000, 0.0000115400000000, -0.0001206000000000 ] - [ -0.0000588800000000, 0.0000013700000000, -0.0000068300000000 ] - [ -0.0001505000000000, 0.0000018200000000, 0.0000804000000000 ] - [ -0.0000621000000000, 0.0000091100000000, 0.0000441300000000 ] - [ -0.0000442400000000, -0.0000004600000000, 0.0000114100000000 ] - [ -0.0000528800000000, -0.0000016100000000, -0.0000168200000000 ] - [ -0.0000313000000000, -0.0000017900000000, -0.0000307800000000 ] - [ 0.0000052600000000, -0.0000604700000000, -0.0000877500000000 ] - [ -0.0000225400000000, -0.0000003400000000, -0.0000506000000000 ] - [ 0.0000083000000000, 0.0001111800000000, 0.0000136600000000 ] - [ 0.0000633500000000, 0.0001540400000000, 0.0000131800000000 ] - [ -0.0000114800000000, 0.0000625100000000, -0.0000456000000000 ] - [ -0.0000167200000000, 0.0000261600000000, 0.0000269000000000 ] - [ 0.0000085300000000, -0.0001126200000000, 0.0000197700000000 ] - [ -0.0000841900000000, -0.0000101700000000, 0.0000188600000000 ] - [ 0.0024160500000000, -0.0005099000000000, -0.0030392900000000 ] - [ -0.0000796800000000, -0.0000306000000000, -0.0000797200000000 ] - [ 0.0001837500000000, -0.0000039200000000, -0.0001816600000000 ] - [ 0.0001778400000000, -0.0064031800000000, -0.0000528000000000 ] - [ 0.0000416400000000, 0.0000025300000000, 0.0000558700000000 ] - [ 0.0000187400000000, -0.0003272000000000, 0.0000339600000000 ] - [ -0.0001099900000000, -0.0000072100000000, 0.0003847300000000 ] - [ 0.0002565000000000, 0.0063855400000000, -0.0000741400000000 ] - [ -0.0012077100000000, -0.0005296100000000, -0.0008449800000000 ] - [ 0.0000212600000000, -0.0000321600000000, 0.0000265700000000 ] - [ 0.0290615800000000, 0.0670515400000000, 0.0206918400000000 ] - [ -0.0000170700000000, 0.0002619100000000, 0.0001264900000000 ] - [ 0.0012467300000000, -0.0005388100000000, 0.0008456200000000 ] - [ 0.0001628100000000, 0.0004243900000000, -0.0000412100000000 ] - [ -0.0004970100000000, 0.0002145100000000, -0.0002576100000000 ] - [ -0.0000059500000000, -0.0000532500000000, 0.0001036900000000 ] - [ 0.0000127300000000, 0.0063926200000000, 0.0002211800000000 ] - [ 0.0005652700000000, 0.0002202300000000, 0.0008325600000000 ] - [ -0.0004672400000000, 0.0001835100000000, -0.0007804500000000 ] - [ -0.0000428800000000, 0.0001380100000000, 0.0000453700000000 ] - [ -0.0000978600000000, -0.0000044500000000, 0.0001459000000000 ] - [ 0.0000041100000000, -0.0001251100000000, -0.0000240000000000 ] - [ -0.0000275900000000, -0.0000651500000000, -0.0000101400000000 ] - [ -0.0000774800000000, 0.0000005600000000, -0.0000381100000000 ] - [ -0.0000620400000000, -0.0000089500000000, 0.0000458400000000 ] - [ 0.0000729800000000, 0.0000600400000000, -0.0001206900000000 ] - [ -0.0000546500000000, 0.0000020700000000, -0.0000043500000000 ] - [ -0.0001503900000000, 0.0000014700000000, 0.0000806000000000 ] - [ -0.0000620300000000, 0.0000088800000000, 0.0000439200000000 ] - [ -0.0000445400000000, 0.0000003200000000, 0.0000114300000000 ] - [ -0.0000580300000000, -0.0000011100000000, -0.0000190400000000 ] - [ -0.0000315700000000, -0.0000011900000000, -0.0000307200000000 ] - [ -0.0000074200000000, -0.0000591200000000, -0.0000890600000000 ] - [ -0.0000227000000000, 0.0000004600000000, -0.0000506100000000 ] - [ 0.0000086500000000, 0.0001115700000000, 0.0000149500000000 ] - [ 0.0000653200000000, 0.0000086000000000, 0.0000136200000000 ] - [ -0.0000229200000000, 0.0000612400000000, -0.0000466300000000 ] - [ -0.0000167000000000, 0.0000310300000000, 0.0000275100000000 ] - [ 0.0000099900000000, -0.0001128900000000, 0.0000208100000000 ] - [ -0.0000875000000000, -0.0001774100000000, 0.0000191400000000 ] - [ -0.0000926900000000, 0.0000299200000000, -0.0001239400000000 ] - [ -0.0000792800000000, -0.0000424300000000, -0.0000787000000000 ] - [ -0.0001125100000000, -0.0000698400000000, -0.0001298500000000 ] - [ 0.0001290700000000, 0.0049005000000000, -0.0000315700000000 ] - [ -0.0024610700000000, -0.0005522800000000, 0.0029503700000000 ] - [ 0.0000108000000000, 0.0049531700000000, 0.0000380500000000 ] - [ 0.0001874700000000, -0.0000747000000000, 0.0003383100000000 ] - [ 0.0000553600000000, -0.0058077900000000, 0.0000025900000000 ] - [ -0.0020297500000000, -0.0005731200000000, 0.0033074000000000 ] - [ 0.0000241600000000, -0.0059121500000000, 0.0000327500000000 ] - [ 0.0007191400000000, 0.0003160400000000, 0.0002133900000000 ] - [ -0.0000204400000000, -0.0003153100000000, 0.0001331800000000 ] - [ 0.0020521100000000, -0.0006237900000000, -0.0032927200000000 ] - [ 0.0001576600000000, -0.0064884800000000, 0.0000108200000000 ] - [ -0.0267898500000000, 0.0637243600000000, -0.0192719300000000 ] - [ -0.0000115000000000, -0.0002603200000000, 0.0001113100000000 ] - [ 0.0000191000000000, -0.0003798600000000, -0.0000123800000000 ] - [ -0.0001600000000000, -0.0000301700000000, 0.0002638100000000 ] - [ 0.0002583000000000, -0.0000833000000000, -0.0002062000000000 ]- atom: 40 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0020610500000000, 0.0000000000000000, 0.0009162500000000 ] - [ 0.0001591800000000, 0.0000000000000000, 0.0012431200000000 ] - [ -0.0000585200000000, 0.0000000000000000, 0.0013983300000000 ] - [ -0.0000917800000000, 0.0000000000000000, 0.0016275700000000 ] - [ -0.0001998200000000, 0.0000000000000000, 0.0012634600000000 ] - [ 0.0001242700000000, 0.0000000000000000, 0.0015727500000000 ] - [ 0.0006994900000000, 0.0000000000000000, -0.0014266600000000 ] - [ -0.0016914700000000, 0.0000000000000000, 0.0024399500000000 ] - [ 0.0098416100000000, 0.0000000000000000, 0.0065380700000000 ] - [ 0.0017663300000000, 0.0000000000000000, -0.0080017600000000 ] - [ 0.0018515800000000, 0.0000000000000000, 0.0014090100000000 ] - [ -0.0005178900000000, 0.0000000000000000, 0.0016520500000000 ] - [ -0.0000426300000000, 0.0000000000000000, 0.0014205500000000 ] - [ 0.0000108500000000, 0.0000000000000000, 0.0017074300000000 ] - [ 0.0002777900000000, 0.0000000000000000, 0.0016316700000000 ] - [ 0.0000642100000000, 0.0000000000000000, 0.0017056200000000 ] - [ -0.0019943800000000, 0.0000000000000000, 0.0022533700000000 ] - [ 0.0020569500000000, 0.0000000000000000, 0.0017467000000000 ] - [ -0.0019079900000000, 0.0000000000000000, -0.0002880000000000 ] - [ 0.0008157300000000, 0.0000000000000000, -0.0145988700000000 ] - [ -0.0011036000000000, 0.0000000000000000, 0.0025355500000000 ] - [ 0.0002302900000000, 0.0000000000000000, 0.0009621300000000 ] - [ -0.0000445300000000, -0.0001658300000000, 0.0018996200000000 ] - [ -0.0002189100000000, 0.0000000000000000, 0.0023152900000000 ] - [ -0.0000445300000000, 0.0001658300000000, 0.0018996200000000 ] - [ 0.0000475500000000, -0.0000189200000000, 0.0022440700000000 ] - [ -0.0008645700000000, 0.0000000000000000, 0.0011808300000000 ] - [ -0.0002746000000000, 0.0000000000000000, 0.0023069900000000 ] - [ -0.0000020200000000, 0.0000038800000000, 0.0021845700000000 ] - [ -0.0011359700000000, 0.0000000000000000, 0.0120855800000000 ] - [ -0.0004200100000000, 0.0000000000000000, 0.0024327300000000 ] - [ 0.0004712900000000, -0.0001187000000000, 0.0019313400000000 ] - [ -0.0003435000000000, 0.0003082800000000, 0.0026039600000000 ] - [ -0.0001827600000000, 0.0000000000000000, 0.0023940600000000 ] - [ -0.0068008600000000, 0.0028820000000000, -0.0017656500000000 ] - [ 0.0050534500000000, 0.0000000000000000, -0.0103557900000000 ] - [ -0.0068008600000000, -0.0028820000000000, -0.0017656500000000 ] - [ -0.0085881000000000, -0.0123437800000000, 0.0108273200000000 ] - [ 0.0019248000000000, -0.0001640100000000, -0.0013057700000000 ] - [ -0.0264060400000000, 0.0000000000000000, -0.1585990700000000 ] - [ 0.0009840800000000, 0.0000000000000000, 0.0013198200000000 ] - [ 0.0003026400000000, 0.0000000000000000, 0.0055414600000000 ] - [ 0.0003675300000000, -0.0001030500000000, 0.0026523900000000 ] - [ -0.0002425400000000, 0.0000000000000000, 0.0025286100000000 ] - [ 0.0003675300000000, 0.0001030500000000, 0.0026523900000000 ] - [ -0.0000020200000000, -0.0000038800000000, 0.0021845700000000 ] - [ 0.0005468200000000, 0.0000000000000000, 0.0026251200000000 ] - [ 0.0000300600000000, 0.0000000000000000, 0.0024636100000000 ] - [ 0.0000475500000000, 0.0000189200000000, 0.0022440700000000 ] - [ 0.0003816500000000, 0.0000000000000000, 0.0006359300000000 ] - [ -0.0000670800000000, 0.0000000000000000, 0.0023222200000000 ] - [ -0.0003435000000000, -0.0003082800000000, 0.0026039600000000 ] - [ 0.0004712900000000, 0.0001187000000000, 0.0019313400000000 ] - [ -0.0000838200000000, 0.0000000000000000, 0.0023554700000000 ] - [ 0.0111184900000000, -0.0044952800000000, 0.0018778200000000 ] - [ -0.0048170000000000, 0.0000000000000000, -0.0107088300000000 ] - [ 0.0111184900000000, 0.0044952800000000, 0.0018778200000000 ] - [ 0.0019248000000000, 0.0001640100000000, -0.0013057700000000 ] - [ -0.0085881000000000, 0.0123437800000000, 0.0108273200000000 ] - [ 0.0014759200000000, 0.0000000000000000, -0.0073198900000000 ] - [ -0.0002857300000000, 0.0002290300000000, -0.0009322400000000 ] - [ -0.0000246400000000, 0.0000000000000000, -0.0016157100000000 ] - [ 0.0000641000000000, 0.0000764400000000, -0.0020357200000000 ] - [ 0.0006470600000000, 0.0000000000000000, -0.0011446700000000 ] - [ 0.0001696400000000, 0.0000000000000000, -0.0016099000000000 ] - [ -0.0002161200000000, 0.0001277400000000, -0.0012795600000000 ] - [ 0.0006047400000000, 0.0000000000000000, -0.0016370200000000 ] - [ -0.0000549400000000, -0.0001181300000000, -0.0013476100000000 ] - [ -0.0000423100000000, 0.0000000000000000, -0.0018298000000000 ] - [ -0.0002161200000000, -0.0001277400000000, -0.0012795600000000 ] - [ 0.0001753300000000, 0.0000000000000000, -0.0014037000000000 ] - [ -0.0000549400000000, 0.0001181300000000, -0.0013476100000000 ] - [ 0.0002517500000000, 0.0000000000000000, -0.0014159800000000 ] - [ -0.0000984000000000, 0.0000529400000000, -0.0012993100000000 ] - [ 0.0000851100000000, 0.0000000000000000, -0.0019799800000000 ] - [ -0.0001812300000000, -0.0000366100000000, -0.0013304800000000 ] - [ 0.0002639500000000, 0.0000000000000000, -0.0032204200000000 ] - [ -0.0002810300000000, -0.0001329100000000, -0.0015986700000000 ] - [ 0.0004277900000000, 0.0000000000000000, -0.0014932000000000 ] - [ -0.0001581300000000, 0.0000352900000000, -0.0013627000000000 ] - [ -0.0000886900000000, 0.0000000000000000, -0.0008590400000000 ] - [ 0.0031321000000000, -0.0018786500000000, -0.0026817300000000 ] - [ 0.0001247300000000, 0.0000000000000000, -0.0020238000000000 ] - [ 0.0005393500000000, -0.0000270600000000, -0.0011558800000000 ] - [ 0.0025659200000000, 0.0000000000000000, 0.0069305300000000 ] - [ -0.0011991200000000, -0.0002355100000000, 0.0001284700000000 ] - [ 0.0011999400000000, 0.0000000000000000, 0.0006537300000000 ] - [ 0.0005393500000000, 0.0000270600000000, -0.0011558800000000 ] - [ -0.0085829200000000, 0.0000000000000000, 0.0123275600000000 ] - [ -0.0048922600000000, -0.0018077700000000, 0.0022825600000000 ] - [ 0.0010302700000000, 0.0000000000000000, 0.0007867100000000 ] - [ 0.0133760100000000, 0.0277455200000000, 0.0196509800000000 ] - [ -0.0013314200000000, 0.0000000000000000, -0.0000877000000000 ] - [ -0.0048922600000000, 0.0018077700000000, 0.0022825600000000 ] - [ -0.0005663800000000, 0.0000000000000000, 0.0028606000000000 ] - [ 0.0007728500000000, -0.0007553300000000, 0.0031000000000000 ] - [ 0.0038186000000000, 0.0000000000000000, -0.0048866700000000 ] - [ 0.0085822600000000, 0.0000000000000000, 0.0856039100000000 ] - [ -0.0023400100000000, -0.0020382300000000, -0.0047400700000000 ] - [ -0.0023400100000000, 0.0020382300000000, -0.0047400700000000 ] - [ 0.0000641000000000, -0.0000764400000000, -0.0020357200000000 ] - [ -0.0000245900000000, 0.0000000000000000, -0.0019947400000000 ] - [ -0.0002857300000000, -0.0002290300000000, -0.0009322400000000 ] - [ -0.0006473800000000, 0.0000000000000000, -0.0019388100000000 ] - [ 0.0001572400000000, 0.0000000000000000, -0.0013308900000000 ] - [ -0.0002721300000000, 0.0001486300000000, -0.0013630000000000 ] - [ -0.0003322700000000, 0.0000000000000000, -0.0021443100000000 ] - [ -0.0003793100000000, -0.0001315300000000, -0.0014281300000000 ] - [ -0.0000962200000000, 0.0000000000000000, -0.0019273600000000 ] - [ -0.0002721300000000, -0.0001486300000000, -0.0013630000000000 ] - [ 0.0002473800000000, 0.0000000000000000, -0.0014113300000000 ] - [ -0.0003793100000000, 0.0001315300000000, -0.0014281300000000 ] - [ 0.0001957000000000, 0.0000000000000000, -0.0014731700000000 ] - [ -0.0002810300000000, 0.0001329100000000, -0.0015986700000000 ] - [ 0.0000387200000000, 0.0000000000000000, -0.0019877800000000 ] - [ -0.0001581300000000, -0.0000352900000000, -0.0013627000000000 ] - [ 0.0000235700000000, 0.0000000000000000, -0.0011514900000000 ] - [ -0.0000984000000000, -0.0000529400000000, -0.0012993100000000 ] - [ 0.0000662800000000, 0.0000000000000000, -0.0013461200000000 ] - [ -0.0001812300000000, 0.0000366100000000, -0.0013304800000000 ] - [ 0.0000829900000000, 0.0000000000000000, -0.0018857700000000 ] - [ -0.0011991200000000, 0.0002355100000000, 0.0001284700000000 ] - [ -0.0001222100000000, 0.0000000000000000, -0.0019800100000000 ] - [ -0.0006630500000000, 0.0000207600000000, -0.0014956800000000 ] - [ -0.0040424900000000, 0.0000000000000000, 0.0058369700000000 ] - [ 0.0031321000000000, 0.0018786500000000, -0.0026817300000000 ] - [ -0.0040696800000000, 0.0000000000000000, -0.0036803600000000 ] - [ -0.0006630500000000, -0.0000207600000000, -0.0014956800000000 ] - [ -0.0045131700000000, 0.0000000000000000, 0.0039182100000000 ] - [ 0.0054812600000000, 0.0018796700000000, 0.0048344400000000 ] - [ -0.0013189900000000, 0.0000000000000000, -0.0013974800000000 ] - [ 0.0007728500000000, 0.0007553300000000, 0.0031000000000000 ] - [ 0.0012842800000000, 0.0000000000000000, -0.0006466600000000 ] - [ 0.0054812600000000, -0.0018796700000000, 0.0048344400000000 ] - [ 0.0004312300000000, 0.0000000000000000, 0.0044818000000000 ] - [ 0.0133760100000000, -0.0277455200000000, 0.0196509800000000 ] - [ -0.0012688600000000, 0.0000000000000000, 0.0000321700000000 ] - [ -0.0003558500000000, 0.0000000000000000, 0.0040933800000000 ] - [ 0.0008366800000000, 0.0002482700000000, 0.0002776000000000 ] - [ 0.0008366800000000, -0.0002482700000000, 0.0002776000000000 ]- atom: 40 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0021277200000000, 0.0000000000000000, -0.0010716000000000 ] - [ -0.0003135900000000, 0.0000000000000000, -0.0012767600000000 ] - [ -0.0000592300000000, 0.0000000000000000, -0.0014162600000000 ] - [ -0.0001065600000000, 0.0000000000000000, -0.0015402900000000 ] - [ 0.0001840900000000, 0.0000000000000000, -0.0012941900000000 ] - [ -0.0000537500000000, 0.0000000000000000, -0.0015801600000000 ] - [ -0.0006499600000000, 0.0000000000000000, 0.0014540500000000 ] - [ 0.0016819200000000, 0.0000000000000000, -0.0024896000000000 ] - [ -0.0099168900000000, 0.0000000000000000, -0.0067068500000000 ] - [ -0.0015172800000000, 0.0000000000000000, 0.0080014100000000 ] - [ -0.0017868600000000, 0.0000000000000000, -0.0015672200000000 ] - [ 0.0003636300000000, 0.0000000000000000, -0.0016859500000000 ] - [ -0.0000742500000000, 0.0000000000000000, -0.0014384300000000 ] - [ -0.0002091500000000, 0.0000000000000000, -0.0016201000000000 ] - [ -0.0002890100000000, 0.0000000000000000, -0.0016598100000000 ] - [ 0.0000057500000000, 0.0000000000000000, -0.0017123500000000 ] - [ 0.0020593800000000, 0.0000000000000000, -0.0022727900000000 ] - [ -0.0020352500000000, 0.0000000000000000, -0.0018008500000000 ] - [ 0.0018626400000000, 0.0000000000000000, 0.0002096700000000 ] - [ -0.0005869100000000, 0.0000000000000000, 0.0146074100000000 ] - [ 0.0012226000000000, 0.0000000000000000, -0.0025714900000000 ] - [ -0.0000678100000000, 0.0000000000000000, -0.0009762000000000 ] - [ 0.0000820300000000, -0.0001318500000000, -0.0019247400000000 ] - [ -0.0000937500000000, 0.0000000000000000, -0.0021903400000000 ] - [ 0.0000820300000000, 0.0001318500000000, -0.0019247400000000 ] - [ -0.0001177100000000, 0.0001987900000000, -0.0022636700000000 ] - [ 0.0008587600000000, 0.0000000000000000, -0.0011499800000000 ] - [ 0.0001832900000000, 0.0000000000000000, -0.0022547800000000 ] - [ -0.0000681500000000, -0.0001838200000000, -0.0022045400000000 ] - [ 0.0012219500000000, 0.0000000000000000, -0.0121085600000000 ] - [ 0.0000808200000000, 0.0000000000000000, -0.0024228300000000 ] - [ -0.0004242700000000, 0.0000356900000000, -0.0019559000000000 ] - [ 0.0003853500000000, -0.0002230100000000, -0.0026232700000000 ] - [ 0.0000573100000000, 0.0000000000000000, -0.0023323300000000 ] - [ 0.0070668600000000, -0.0029364600000000, 0.0016592900000000 ] - [ -0.0051360000000000, 0.0000000000000000, 0.0104142200000000 ] - [ 0.0070668600000000, 0.0029364600000000, 0.0016592900000000 ] - [ 0.0086787000000000, 0.0124200800000000, -0.0110305700000000 ] - [ -0.0018852900000000, 0.0001359700000000, 0.0012187100000000 ] - [ 0.0260090200000000, 0.0000000000000000, 0.1649799500000000 ] - [ -0.0008654200000000, 0.0000000000000000, -0.0013553500000000 ] - [ -0.0001385100000000, 0.0000000000000000, -0.0055531800000000 ] - [ -0.0003301100000000, -0.0001947600000000, -0.0026776500000000 ] - [ -0.0000695900000000, 0.0000000000000000, -0.0024037100000000 ] - [ -0.0003301100000000, 0.0001947600000000, -0.0026776500000000 ] - [ -0.0000681500000000, 0.0001838200000000, -0.0022045400000000 ] - [ -0.0005418000000000, 0.0000000000000000, -0.0025904600000000 ] - [ -0.0001191200000000, 0.0000000000000000, -0.0024107300000000 ] - [ -0.0001177100000000, -0.0001987900000000, -0.0022636700000000 ] - [ -0.0002771800000000, 0.0000000000000000, -0.0007692600000000 ] - [ -0.0002719200000000, 0.0000000000000000, -0.0023124200000000 ] - [ 0.0003853500000000, 0.0002230100000000, -0.0026232700000000 ] - [ -0.0004242700000000, -0.0000356900000000, -0.0019559000000000 ] - [ -0.0000409900000000, 0.0000000000000000, -0.0022946400000000 ] - [ -0.0108127600000000, 0.0044097400000000, -0.0019625500000000 ] - [ 0.0047194500000000, 0.0000000000000000, 0.0107417700000000 ] - [ -0.0108127600000000, -0.0044097400000000, -0.0019625500000000 ] - [ -0.0018852900000000, -0.0001359700000000, 0.0012187100000000 ] - [ 0.0086787000000000, -0.0124200800000000, -0.0110305700000000 ] - [ -0.0013839400000000, 0.0000000000000000, 0.0073166700000000 ] - [ 0.0002361900000000, 0.0000445100000000, 0.0009203100000000 ] - [ -0.0001722500000000, 0.0000000000000000, 0.0019058900000000 ] - [ -0.0001138600000000, -0.0003498500000000, 0.0020239700000000 ] - [ -0.0007036000000000, 0.0000000000000000, 0.0011230800000000 ] - [ -0.0003226700000000, 0.0000000000000000, 0.0015313200000000 ] - [ 0.0000914500000000, -0.0001467200000000, 0.0013685200000000 ] - [ -0.0004601400000000, 0.0000000000000000, 0.0013972600000000 ] - [ -0.0000599900000000, 0.0001203300000000, 0.0013226400000000 ] - [ -0.0002592400000000, 0.0000000000000000, 0.0019889300000000 ] - [ 0.0000914500000000, 0.0001467200000000, 0.0013685200000000 ] - [ -0.0002650000000000, 0.0000000000000000, 0.0014254500000000 ] - [ -0.0000599900000000, -0.0001203300000000, 0.0013226400000000 ] - [ -0.0003126700000000, 0.0000000000000000, 0.0013532200000000 ] - [ 0.0000808400000000, -0.0001760100000000, 0.0011651800000000 ] - [ -0.0001304600000000, 0.0000000000000000, 0.0018792800000000 ] - [ 0.0001981900000000, 0.0002590600000000, 0.0013634200000000 ] - [ -0.0001350500000000, 0.0000000000000000, 0.0032329600000000 ] - [ 0.0002619400000000, 0.0002552300000000, 0.0014622600000000 ] - [ -0.0004611000000000, 0.0000000000000000, 0.0015457800000000 ] - [ 0.0001745300000000, -0.0002580000000000, 0.0013957300000000 ] - [ -0.0000822200000000, 0.0000000000000000, 0.0008999000000000 ] - [ -0.0031580200000000, 0.0018891900000000, 0.0026140600000000 ] - [ -0.0002828300000000, 0.0000000000000000, 0.0018659900000000 ] - [ -0.0004617100000000, 0.0000297500000000, 0.0013613200000000 ] - [ -0.0023196800000000, 0.0000000000000000, -0.0069812000000000 ] - [ 0.0011388900000000, 0.0002052800000000, -0.0001898300000000 ] - [ -0.0011699000000000, 0.0000000000000000, -0.0005615900000000 ] - [ -0.0004617100000000, -0.0000297500000000, 0.0013613200000000 ] - [ 0.0089239200000000, 0.0000000000000000, -0.0124689900000000 ] - [ 0.0049664100000000, 0.0018608400000000, -0.0022882200000000 ] - [ -0.0009840600000000, 0.0000000000000000, -0.0007200800000000 ] - [ -0.0130015300000000, -0.0272247200000000, -0.0198334200000000 ] - [ 0.0012989900000000, 0.0000000000000000, 0.0003399500000000 ] - [ 0.0049664100000000, -0.0018608400000000, -0.0022882200000000 ] - [ 0.0008983700000000, 0.0000000000000000, -0.0029491400000000 ] - [ -0.0005692700000000, 0.0006480900000000, -0.0031495300000000 ] - [ -0.0038304900000000, 0.0000000000000000, 0.0051047700000000 ] - [ -0.0087126700000000, 0.0000000000000000, -0.0912262700000000 ] - [ 0.0024318000000000, 0.0020791900000000, 0.0047963200000000 ] - [ 0.0024318000000000, -0.0020791900000000, 0.0047963200000000 ] - [ -0.0001138600000000, 0.0003498500000000, 0.0020239700000000 ] - [ -0.0001721500000000, 0.0000000000000000, 0.0022849700000000 ] - [ 0.0002361900000000, -0.0000445100000000, 0.0009203100000000 ] - [ 0.0005912300000000, 0.0000000000000000, 0.0019177900000000 ] - [ -0.0003104300000000, 0.0000000000000000, 0.0012522800000000 ] - [ 0.0001473900000000, -0.0001674400000000, 0.0014518400000000 ] - [ 0.0004767200000000, 0.0000000000000000, 0.0019045300000000 ] - [ 0.0002643900000000, 0.0001337600000000, 0.0014031700000000 ] - [ -0.0002055300000000, 0.0000000000000000, 0.0020860800000000 ] - [ 0.0001473900000000, 0.0001674400000000, 0.0014518400000000 ] - [ -0.0003369800000000, 0.0000000000000000, 0.0014331400000000 ] - [ 0.0002643900000000, -0.0001337600000000, 0.0014031700000000 ] - [ -0.0002570900000000, 0.0000000000000000, 0.0014100400000000 ] - [ 0.0002619400000000, -0.0002552300000000, 0.0014622600000000 ] - [ -0.0000842700000000, 0.0000000000000000, 0.0018867000000000 ] - [ 0.0001745300000000, 0.0002580000000000, 0.0013957300000000 ] - [ 0.0001038100000000, 0.0000000000000000, 0.0011823700000000 ] - [ 0.0000808400000000, 0.0001760100000000, 0.0011651800000000 ] - [ -0.0001022500000000, 0.0000000000000000, 0.0014001500000000 ] - [ 0.0001981900000000, -0.0002590600000000, 0.0013634200000000 ] - [ -0.0002545000000000, 0.0000000000000000, 0.0019210700000000 ] - [ 0.0011388900000000, -0.0002052800000000, -0.0001898300000000 ] - [ -0.0000373500000000, 0.0000000000000000, 0.0018231200000000 ] - [ 0.0007329600000000, -0.0000156100000000, 0.0016998900000000 ] - [ 0.0043154800000000, 0.0000000000000000, -0.0058882900000000 ] - [ -0.0031580200000000, -0.0018891900000000, 0.0026140600000000 ] - [ 0.0040492500000000, 0.0000000000000000, 0.0037473000000000 ] - [ 0.0007329600000000, 0.0000156100000000, 0.0016998900000000 ] - [ 0.0046219500000000, 0.0000000000000000, -0.0039045100000000 ] - [ -0.0054619400000000, -0.0018505300000000, -0.0048513500000000 ] - [ 0.0013679300000000, 0.0000000000000000, 0.0014720300000000 ] - [ -0.0005692700000000, -0.0006480900000000, -0.0031495300000000 ] - [ -0.0013222800000000, 0.0000000000000000, 0.0008978800000000 ] - [ -0.0054619400000000, 0.0018505300000000, -0.0048513500000000 ] - [ -0.0001116700000000, 0.0000000000000000, -0.0045737900000000 ] - [ -0.0130015300000000, 0.0272247200000000, -0.0198334200000000 ] - [ 0.0012493400000000, 0.0000000000000000, 0.0001940000000000 ] - [ 0.0003988600000000, 0.0000000000000000, -0.0041278600000000 ] - [ -0.0007387600000000, -0.0001977800000000, -0.0002219900000000 ] - [ -0.0007387600000000, 0.0001977800000000, -0.0002219900000000 ]- atom: 61 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0011647200000000, -0.0012517500000000, 0.0033553000000000 ] - [ 0.0108446100000000, 0.0007224300000000, -0.0005325500000000 ] - [ 0.0004970800000000, 0.0000458500000000, -0.0003888600000000 ] - [ -0.0007415000000000, 0.0000700300000000, -0.0011576500000000 ] - [ 0.0000135900000000, 0.0000000800000000, -0.0001293000000000 ] - [ -0.0000560700000000, -0.0000033200000000, -0.0001428800000000 ] - [ 0.0000761500000000, 0.0000013900000000, -0.0000498500000000 ] - [ 0.0000105500000000, -0.0000000500000000, -0.0001538100000000 ] - [ -0.0008980700000000, -0.0001029800000000, -0.0009656800000000 ] - [ 0.0004714000000000, -0.0000558700000000, -0.0003622000000000 ] - [ -0.0015885500000000, -0.0009387200000000, -0.0030955000000000 ] - [ -0.0040741500000000, 0.0001874500000000, -0.0010382500000000 ] - [ -0.0004805000000000, -0.0000630700000000, 0.0001460900000000 ] - [ -0.0005233600000000, -0.0009039200000000, 0.0015761800000000 ] - [ -0.0000264100000000, -0.0000000800000000, -0.0000839400000000 ] - [ 0.0001098900000000, -0.0000019500000000, -0.0000632900000000 ] - [ -0.0000635400000000, 0.0000052200000000, -0.0000862500000000 ] - [ -0.0000121300000000, 0.0000005800000000, -0.0001190200000000 ] - [ -0.0005779800000000, 0.0009906200000000, 0.0011112800000000 ] - [ -0.0001288800000000, 0.0000735000000000, 0.0000508100000000 ] - [ -0.0071394400000000, -0.0004931200000000, 0.0017377300000000 ] - [ 0.0163752400000000, -0.0090637600000000, -0.0089157700000000 ] - [ 0.0365362800000000, 0.0032600600000000, 0.0173733800000000 ] - [ 0.0008678700000000, -0.0005615700000000, -0.0026342300000000 ] - [ 0.0036528200000000, 0.0002540400000000, -0.0021770200000000 ] - [ 0.0003314000000000, -0.0000665200000000, 0.0004078200000000 ] - [ 0.0000230600000000, -0.0000001700000000, -0.0001490300000000 ] - [ -0.0000158900000000, -0.0000029300000000, -0.0002761500000000 ] - [ -0.0004537800000000, -0.0001584500000000, -0.0005035000000000 ] - [ 0.0000110300000000, 0.0000001900000000, -0.0002193300000000 ] - [ -0.0031798800000000, -0.0000720700000000, -0.0006717100000000 ] - [ -0.0000199600000000, -0.0000345300000000, -0.0001535200000000 ] - [ 0.0000549900000000, 0.0000371900000000, -0.0001558500000000 ] - [ 0.0001750200000000, 0.0000021900000000, -0.0002436600000000 ] - [ 0.0002267500000000, 0.0000194700000000, -0.0002544700000000 ] - [ -0.0004031500000000, 0.0001643600000000, -0.0005552100000000 ] - [ 0.0002282600000000, -0.0000198500000000, -0.0002653400000000 ] - [ -0.0015956100000000, -0.0001133900000000, -0.0000784800000000 ] - [ 0.0040214300000000, -0.0006141900000000, -0.0005058000000000 ] - [ -0.0001666000000000, -0.0000285300000000, -0.0002447800000000 ] - [ 0.0203312000000000, -0.0232715900000000, 0.0113398600000000 ] - [ -0.0043323000000000, -0.0000970800000000, -0.0017213900000000 ] - [ -0.0031770900000000, -0.0000293400000000, 0.0037820800000000 ] - [ -0.0012885900000000, 0.0002076400000000, 0.0010893500000000 ] - [ -0.0066493700000000, 0.0000789600000000, 0.0031003700000000 ] - [ -0.0005450600000000, 0.0001518100000000, -0.0005680900000000 ] - [ -0.0000124100000000, -0.0000004100000000, -0.0001062300000000 ] - [ -0.0000653800000000, 0.0000016300000000, 0.0000001100000000 ] - [ 0.0002209100000000, 0.0000663500000000, 0.0002311700000000 ] - [ 0.0000967300000000, -0.0000005600000000, -0.0002069100000000 ] - [ 0.0046368100000000, 0.0023787100000000, 0.0023739600000000 ] - [ 0.0000560200000000, -0.0000371200000000, -0.0001548200000000 ] - [ -0.0000198000000000, 0.0000345900000000, -0.0001540100000000 ] - [ -0.0002669600000000, 0.0000140700000000, -0.0000045800000000 ] - [ 0.0000664300000000, -0.0000114700000000, -0.0000789100000000 ] - [ 0.0000677300000000, -0.0002308000000000, 0.0005044200000000 ] - [ 0.0000768600000000, 0.0000111400000000, -0.0000643800000000 ] - [ 0.0028861900000000, 0.0007399000000000, -0.0010296800000000 ] - [ -0.0013326100000000, 0.0001111200000000, 0.0000183600000000 ] - [ 0.0002385700000000, -0.0000183900000000, 0.0000505400000000 ] - [ -0.1044994100000000, 0.0338899000000000, -0.0214538700000000 ] - [ -0.0027751600000000, -0.0042899200000000, 0.0067034200000000 ] - [ 0.0036030100000000, 0.0005001700000000, 0.0001527000000000 ] - [ 0.0116509300000000, -0.0076061400000000, -0.0014068000000000 ] - [ 0.0023200500000000, 0.0001568000000000, -0.0014505700000000 ] - [ 0.0002187600000000, -0.0002228800000000, 0.0011744400000000 ] - [ 0.0071201900000000, 0.0070441400000000, -0.0002921700000000 ] - [ 0.0018125300000000, 0.0002695600000000, 0.0016745600000000 ] - [ -0.0001011100000000, -0.0000320500000000, 0.0004949500000000 ] - [ 0.0000155000000000, 0.0001605900000000, 0.0008515800000000 ] - [ -0.0011649000000000, 0.0002138400000000, -0.0000476400000000 ] - [ 0.0019675400000000, -0.0001676800000000, 0.0015475800000000 ] - [ -0.0000355400000000, 0.0000226900000000, 0.0002690800000000 ] - [ 0.0000355200000000, -0.0000849500000000, 0.0000699500000000 ] - [ 0.0005335200000000, 0.0000271700000000, 0.0003797500000000 ] - [ 0.0002334900000000, 0.0001470900000000, 0.0001009600000000 ] - [ 0.0000556500000000, -0.0000000700000000, 0.0001397000000000 ] - [ -0.0000235500000000, 0.0000631400000000, -0.0000235900000000 ] - [ -0.0000903700000000, 0.0000016400000000, 0.0001421500000000 ] - [ -0.0001800000000000, -0.0000781100000000, 0.0000699100000000 ] - [ -0.0000989400000000, 0.0000001500000000, 0.0001131000000000 ] - [ 0.0000164100000000, -0.0000077900000000, 0.0000904400000000 ] - [ -0.0001205200000000, -0.0000013700000000, 0.0000590400000000 ] - [ 0.0000379500000000, 0.0000087100000000, 0.0002019400000000 ] - [ 0.0001584600000000, -0.0000218000000000, 0.0003362100000000 ] - [ -0.0000377400000000, -0.0000089400000000, 0.0000242700000000 ] - [ -0.0000477900000000, 0.0000017200000000, 0.0001567600000000 ] - [ 0.0000382700000000, -0.0000087700000000, 0.0002014900000000 ] - [ 0.0000449100000000, 0.0000198600000000, 0.0002462300000000 ] - [ 0.0002847500000000, -0.0002864600000000, 0.0009903800000000 ] - [ -0.0000107000000000, -0.0000026400000000, 0.0001560100000000 ] - [ 0.0002473900000000, 0.0000827100000000, 0.0000270800000000 ] - [ -0.0012918400000000, -0.0019585900000000, 0.0050295400000000 ] - [ 0.0000648700000000, 0.0001542400000000, 0.0006185300000000 ] - [ -0.0007876200000000, 0.0003544400000000, -0.0001100600000000 ] - [ -0.0000082000000000, -0.0000357900000000, 0.0000505700000000 ] - [ 0.0016859700000000, 0.0000555700000000, -0.0004781900000000 ] - [ 0.0004550900000000, 0.0000163300000000, 0.0002941100000000 ] - [ 0.0012633100000000, -0.0000035000000000, 0.0011122000000000 ] - [ 0.0014523700000000, -0.0000295800000000, 0.0011712300000000 ] - [ 0.0051259300000000, -0.0006955600000000, 0.0004290200000000 ] - [ 0.0016669800000000, -0.0001761500000000, -0.0010444600000000 ] - [ -0.0068943600000000, -0.0037884300000000, -0.0006001700000000 ] - [ 0.0094899500000000, -0.0041107900000000, -0.0009807700000000 ] - [ -0.0033623100000000, 0.0026481900000000, 0.0036865400000000 ] - [ 0.0002540800000000, 0.0000381100000000, -0.0008413600000000 ] - [ 0.0088789700000000, 0.0053881600000000, -0.0018511200000000 ] - [ 0.0023645300000000, -0.0003440700000000, -0.0072039400000000 ] - [ -0.0002049200000000, 0.0000183200000000, -0.0000026900000000 ] - [ 0.0000443500000000, -0.0000282600000000, -0.0004395100000000 ] - [ 0.0007177200000000, -0.0000402300000000, 0.0001805400000000 ] - [ -0.0016030800000000, 0.0005053600000000, -0.0017850800000000 ] - [ -0.0000381800000000, -0.0000160800000000, -0.0001367700000000 ] - [ -0.0000241600000000, -0.0000625100000000, -0.0000243600000000 ] - [ -0.0007583200000000, -0.0001756200000000, -0.0006011300000000 ] - [ -0.0002089200000000, 0.0000730900000000, 0.0000560300000000 ] - [ 0.0000610400000000, -0.0000001400000000, 0.0001448800000000 ] - [ 0.0000323600000000, 0.0000840600000000, 0.0000680700000000 ] - [ 0.0000155800000000, 0.0000003600000000, 0.0000948300000000 ] - [ 0.0002086400000000, -0.0001462800000000, 0.0001229500000000 ] - [ -0.0000997900000000, 0.0000000500000000, 0.0001077800000000 ] - [ -0.0000386700000000, 0.0000091800000000, 0.0000240900000000 ] - [ -0.0000495200000000, -0.0000003000000000, 0.0000228900000000 ] - [ 0.0000568400000000, 0.0000088800000000, 0.0001786000000000 ] - [ 0.0000973900000000, 0.0000084400000000, -0.0000661600000000 ] - [ 0.0000120300000000, 0.0000068300000000, 0.0000880900000000 ] - [ 0.0000297000000000, 0.0000018300000000, 0.0001057600000000 ] - [ 0.0000568900000000, -0.0000088700000000, 0.0001778800000000 ] - [ 0.0000290600000000, -0.0000093800000000, -0.0000258300000000 ] - [ 0.0004641900000000, 0.0000527800000000, -0.0005754000000000 ] - [ 0.0000481400000000, -0.0000020700000000, 0.0001184200000000 ] - [ -0.0000423300000000, 0.0000294500000000, 0.0000416600000000 ] - [ 0.0013496100000000, -0.0000884200000000, -0.0009384800000000 ] - [ 0.0001558300000000, -0.0000737400000000, -0.0002193700000000 ] - [ 0.0007254200000000, -0.0000269400000000, 0.0000610100000000 ] - [ 0.0002317200000000, -0.0000827700000000, 0.0000603900000000 ] - [ -0.0029124100000000, 0.0014330300000000, 0.0030564000000000 ] - [ -0.0007462700000000, -0.0003940900000000, -0.0004162100000000 ] - [ 0.0001394600000000, 0.0004274700000000, -0.0067318000000000 ] - [ -0.0015213600000000, -0.0001893500000000, -0.0015151200000000 ]- atom: 61 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0012232700000000, 0.0012418800000000, -0.0035356000000000 ] - [ -0.0109104700000000, -0.0004759300000000, 0.0002700800000000 ] - [ -0.0006131400000000, -0.0000451700000000, 0.0003709800000000 ] - [ 0.0005347100000000, -0.0000688000000000, 0.0012462200000000 ] - [ -0.0000279800000000, -0.0000001200000000, 0.0001004900000000 ] - [ 0.0001266900000000, 0.0000036400000000, 0.0001381600000000 ] - [ -0.0000327700000000, -0.0000013200000000, 0.0000900400000000 ] - [ -0.0000068600000000, 0.0000003400000000, 0.0000956000000000 ] - [ 0.0008638600000000, 0.0001035400000000, 0.0008883400000000 ] - [ -0.0002279600000000, 0.0000565200000000, 0.0003232300000000 ] - [ 0.0016618200000000, 0.0009161500000000, 0.0029123300000000 ] - [ 0.0039205400000000, -0.0001898100000000, 0.0010141900000000 ] - [ 0.0003640100000000, 0.0000637200000000, -0.0001616300000000 ] - [ 0.0003274800000000, 0.0009041400000000, -0.0014861900000000 ] - [ 0.0000128200000000, 0.0000006100000000, 0.0000557900000000 ] - [ -0.0000391500000000, 0.0000024900000000, 0.0000574800000000 ] - [ 0.0001080800000000, -0.0000049700000000, 0.0001256600000000 ] - [ 0.0000152900000000, -0.0000000800000000, 0.0000604300000000 ] - [ 0.0005192000000000, -0.0009877600000000, -0.0011851400000000 ] - [ 0.0003727800000000, -0.0000728700000000, -0.0000944100000000 ] - [ 0.0072735900000000, 0.0005031200000000, -0.0017917700000000 ] - [ -0.0162418900000000, 0.0093218100000000, 0.0091201500000000 ] - [ -0.0383556100000000, -0.0037353200000000, -0.0189007600000000 ] - [ -0.0011766800000000, 0.0005617300000000, 0.0027505600000000 ] - [ -0.0036729900000000, 0.0000359700000000, 0.0021697000000000 ] - [ -0.0003998700000000, 0.0002461700000000, -0.0004246700000000 ] - [ -0.0000216500000000, 0.0000003600000000, 0.0001949500000000 ] - [ -0.0000747800000000, 0.0000029400000000, 0.0003303600000000 ] - [ 0.0003814300000000, -0.0000210500000000, 0.0004856300000000 ] - [ 0.0000924600000000, -0.0000002900000000, 0.0000957700000000 ] - [ 0.0028381100000000, 0.0000753600000000, 0.0006897100000000 ] - [ 0.0000650700000000, -0.0000479900000000, 0.0001333700000000 ] - [ -0.0000095100000000, 0.0000454900000000, 0.0001355400000000 ] - [ -0.0002990800000000, -0.0000020300000000, 0.0003074200000000 ] - [ 0.0000456700000000, -0.0000473900000000, 0.0002218600000000 ] - [ 0.0003293800000000, -0.0001655800000000, 0.0005448200000000 ] - [ 0.0000442600000000, 0.0000478600000000, 0.0002311900000000 ] - [ 0.0016452100000000, 0.0001414400000000, -0.0000147800000000 ] - [ -0.0039759800000000, 0.0005834100000000, 0.0004401800000000 ] - [ 0.0002647800000000, 0.0000287500000000, 0.0002230100000000 ] - [ -0.0202107700000000, 0.0226167500000000, -0.0111134400000000 ] - [ 0.0044942600000000, 0.0000961600000000, 0.0016863600000000 ] - [ 0.0032206000000000, -0.0002667700000000, -0.0037917200000000 ] - [ 0.0009758100000000, -0.0002073000000000, -0.0009581000000000 ] - [ 0.0066604700000000, 0.0002173600000000, -0.0030982800000000 ] - [ 0.0004724000000000, 0.0000279000000000, 0.0005503900000000 ] - [ 0.0000142800000000, 0.0000005100000000, 0.0001522400000000 ] - [ -0.0000243900000000, -0.0000014100000000, 0.0000543300000000 ] - [ -0.0002895300000000, -0.0002458100000000, -0.0002486900000000 ] - [ 0.0000060100000000, 0.0000004900000000, 0.0000837600000000 ] - [ -0.0049575200000000, -0.0023776400000000, -0.0023653000000000 ] - [ -0.0000105200000000, -0.0000453900000000, 0.0001348800000000 ] - [ 0.0000649000000000, 0.0000481400000000, 0.0001335100000000 ] - [ 0.0001427300000000, -0.0000138900000000, 0.0000693500000000 ] - [ 0.0002051800000000, -0.0000160200000000, 0.0000452100000000 ] - [ -0.0001549200000000, 0.0002301500000000, -0.0005163300000000 ] - [ 0.0001947200000000, 0.0000164400000000, 0.0000289900000000 ] - [ -0.0028485200000000, -0.0007082700000000, 0.0009593300000000 ] - [ 0.0013839900000000, -0.0001390500000000, -0.0001121100000000 ] - [ -0.0001441900000000, 0.0000184700000000, -0.0000672200000000 ] - [ 0.1062650100000000, -0.0333146200000000, 0.0226858600000000 ] - [ 0.0026244100000000, 0.0043104000000000, -0.0064269400000000 ] - [ -0.0036541200000000, -0.0007740200000000, -0.0001621600000000 ] - [ -0.0118775300000000, 0.0077584100000000, 0.0014066200000000 ] - [ -0.0024696100000000, -0.0001581200000000, 0.0013661400000000 ] - [ -0.0003417800000000, 0.0002019300000000, -0.0010820800000000 ] - [ -0.0070490000000000, -0.0071475100000000, 0.0000691100000000 ] - [ -0.0019218600000000, -0.0002691900000000, -0.0017083600000000 ] - [ -0.0002012000000000, 0.0000320400000000, -0.0003382300000000 ] - [ -0.0001384600000000, -0.0001387800000000, -0.0007619800000000 ] - [ 0.0010720300000000, -0.0002134300000000, 0.0000670700000000 ] - [ -0.0020499200000000, 0.0001668600000000, -0.0015582900000000 ] - [ -0.0000237500000000, -0.0000226500000000, -0.0003315000000000 ] - [ -0.0000538500000000, -0.0000399600000000, -0.0002046300000000 ] - [ -0.0005756300000000, -0.0000272800000000, -0.0004841600000000 ] - [ -0.0002162100000000, 0.0000737800000000, -0.0000677700000000 ] - [ 0.0000713500000000, 0.0000000700000000, -0.0001150800000000 ] - [ 0.0000050900000000, 0.0000618600000000, -0.0001137600000000 ] - [ 0.0000542200000000, -0.0000014800000000, -0.0000903300000000 ] - [ 0.0001965100000000, -0.0001426800000000, -0.0000381700000000 ] - [ -0.0000671600000000, -0.0000000800000000, -0.0000767500000000 ] - [ -0.0000698600000000, 0.0000328500000000, -0.0001591300000000 ] - [ -0.0000367300000000, 0.0000014700000000, -0.0002184500000000 ] - [ 0.0000346400000000, -0.0000094600000000, 0.0000028200000000 ] - [ 0.0001011100000000, 0.0000219700000000, -0.0004011400000000 ] - [ -0.0000151500000000, -0.0000158600000000, -0.0000947000000000 ] - [ 0.0000693200000000, -0.0000015300000000, -0.0000773400000000 ] - [ 0.0000342200000000, 0.0000096400000000, 0.0000010300000000 ] - [ 0.0000400100000000, -0.0000200200000000, -0.0002274300000000 ] - [ -0.0002508000000000, 0.0003204400000000, -0.0009948300000000 ] - [ 0.0000633300000000, 0.0000027400000000, -0.0001195100000000 ] - [ -0.0000257200000000, 0.0000297400000000, -0.0000691600000000 ] - [ 0.0012357500000000, 0.0019566100000000, -0.0047854100000000 ] - [ -0.0000308200000000, -0.0001873900000000, -0.0006220500000000 ] - [ 0.0011139000000000, -0.0003542000000000, 0.0000271700000000 ] - [ 0.0002294100000000, -0.0000759700000000, -0.0000969400000000 ] - [ -0.0017067400000000, -0.0000545200000000, 0.0007098900000000 ] - [ -0.0004173700000000, -0.0000166600000000, -0.0003061900000000 ] - [ -0.0011702200000000, 0.0000532600000000, -0.0010445400000000 ] - [ -0.0013553800000000, -0.0000208500000000, -0.0011053600000000 ] - [ -0.0051767700000000, 0.0009726200000000, -0.0004363900000000 ] - [ -0.0018640300000000, 0.0001772000000000, 0.0013241100000000 ] - [ 0.0068587400000000, 0.0034744400000000, 0.0006071700000000 ] - [ -0.0094689000000000, 0.0040671700000000, 0.0009529900000000 ] - [ 0.0032362700000000, -0.0026614700000000, -0.0037664200000000 ] - [ -0.0003790100000000, -0.0000588500000000, 0.0009285400000000 ] - [ -0.0086527600000000, -0.0053155800000000, 0.0016023100000000 ] - [ -0.0024774100000000, 0.0003499800000000, 0.0071352500000000 ] - [ -0.0000979800000000, -0.0000182600000000, 0.0001583100000000 ] - [ -0.0001700100000000, 0.0000490800000000, 0.0005249300000000 ] - [ -0.0008065200000000, 0.0000405600000000, -0.0001621900000000 ] - [ 0.0014781000000000, -0.0005072300000000, 0.0017587000000000 ] - [ -0.0000217900000000, 0.0000160300000000, 0.0000735600000000 ] - [ 0.0000055000000000, -0.0000624300000000, -0.0001108100000000 ] - [ 0.0007133300000000, 0.0001751300000000, 0.0004982600000000 ] - [ 0.0002254400000000, 0.0001479300000000, -0.0000221800000000 ] - [ 0.0000659700000000, 0.0000001700000000, -0.0001202900000000 ] - [ -0.0000504400000000, 0.0000408500000000, -0.0002050100000000 ] - [ -0.0000514700000000, -0.0000002600000000, -0.0000431800000000 ] - [ -0.0001915300000000, -0.0000743900000000, -0.0000919100000000 ] - [ -0.0000668500000000, -0.0000000500000000, -0.0000712200000000 ] - [ -0.0000141600000000, 0.0000156900000000, -0.0000925800000000 ] - [ -0.0001074400000000, 0.0000004400000000, -0.0001822900000000 ] - [ 0.0000161100000000, -0.0000095600000000, 0.0000263900000000 ] - [ 0.0001640300000000, -0.0000083700000000, 0.0000028500000000 ] - [ -0.0000655700000000, -0.0000317300000000, -0.0001586200000000 ] - [ -0.0000084000000000, -0.0000016900000000, -0.0000257600000000 ] - [ 0.0000160500000000, 0.0000098200000000, 0.0000248900000000 ] - [ 0.0000587500000000, 0.0000092000000000, 0.0000450000000000 ] - [ -0.0004209600000000, -0.0000203000000000, 0.0005784500000000 ] - [ 0.0000048300000000, 0.0000021700000000, -0.0000814900000000 ] - [ 0.0002638100000000, 0.0000825600000000, -0.0000859200000000 ] - [ -0.0013842600000000, 0.0000867900000000, 0.0012020500000000 ] - [ -0.0001137700000000, 0.0000412800000000, 0.0002225700000000 ] - [ -0.0004056800000000, 0.0000274700000000, -0.0001372000000000 ] - [ -0.0000101800000000, -0.0000295700000000, -0.0001045500000000 ] - [ 0.0028589700000000, -0.0014362000000000, -0.0028563300000000 ] - [ 0.0007893600000000, 0.0003941100000000, 0.0003959700000000 ] - [ -0.0000173700000000, -0.0003735900000000, 0.0068144600000000 ] - [ 0.0016374000000000, 0.0001292400000000, 0.0015688400000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007486900000000, 0.0000100400000000, 0.0020006500000000 ] - [ 0.0033269300000000, 0.0109157800000000, -0.0053762000000000 ] - [ -0.0002735000000000, -0.0000128000000000, 0.0000023200000000 ] - [ -0.0009221900000000, 0.0000723700000000, -0.0006244900000000 ] - [ -0.0000121500000000, 0.0000001300000000, 0.0000155500000000 ] - [ 0.0000559500000000, 0.0000016000000000, 0.0000213500000000 ] - [ 0.0000196000000000, 0.0000007800000000, 0.0000415000000000 ] - [ -0.0000011500000000, 0.0000004300000000, 0.0000076800000000 ] - [ 0.0012674900000000, 0.0001646700000000, 0.0008653100000000 ] - [ 0.0000961300000000, 0.0000323100000000, 0.0001285800000000 ] - [ -0.0013104200000000, -0.0002518900000000, -0.0004003200000000 ] - [ -0.0007568200000000, 0.0001213400000000, -0.0008623500000000 ] - [ -0.0000215200000000, 0.0000136400000000, -0.0000392100000000 ] - [ -0.0001591400000000, 0.0001963000000000, -0.0001690200000000 ] - [ -0.0000057700000000, 0.0000004400000000, 0.0000059100000000 ] - [ 0.0000087200000000, 0.0000009600000000, 0.0000151000000000 ] - [ 0.0000587200000000, -0.0000016600000000, 0.0000542200000000 ] - [ 0.0000074700000000, 0.0000002200000000, -0.0000048600000000 ] - [ 0.0002550200000000, -0.0003142800000000, -0.0004224500000000 ] - [ 0.0002081200000000, -0.0000319400000000, -0.0000347600000000 ] - [ 0.0027367800000000, 0.0001141800000000, -0.0010574900000000 ] - [ -0.0092774000000000, 0.0169708100000000, 0.0144300400000000 ] - [ 0.0026478200000000, 0.0094294800000000, 0.0017682700000000 ] - [ -0.0003544400000000, 0.0003063400000000, 0.0022806000000000 ] - [ 0.0001131700000000, -0.0063911400000000, -0.0001216100000000 ] - [ -0.0001296100000000, 0.0003225500000000, -0.0000404100000000 ] - [ -0.0000085700000000, 0.0000001100000000, 0.0000654000000000 ] - [ -0.0000453000000000, 0.0000007600000000, 0.0001168500000000 ] - [ 0.0001462900000000, -0.0001126100000000, 0.0000624700000000 ] - [ 0.0000655600000000, -0.0000004000000000, -0.0000135200000000 ] - [ 0.0002917200000000, 0.0000063600000000, 0.0001780200000000 ] - [ 0.0000344500000000, -0.0000388200000000, 0.0000268500000000 ] - [ 0.0000162100000000, 0.0000412900000000, 0.0000330800000000 ] - [ -0.0000872800000000, -0.0000005900000000, 0.0001203300000000 ] - [ 0.0000922100000000, -0.0000440100000000, 0.0000491300000000 ] - [ -0.0000890900000000, -0.0000990200000000, -0.0001912100000000 ] - [ 0.0000941100000000, 0.0000439900000000, 0.0000567900000000 ] - [ 0.0004407700000000, 0.0001898600000000, 0.0000091100000000 ] - [ -0.0009504700000000, 0.0028782800000000, 0.0000913000000000 ] - [ 0.0000939800000000, 0.0000129700000000, 0.0000707000000000 ] - [ -0.0266308600000000, 0.0543425000000000, -0.0251734800000000 ] - [ 0.0019017900000000, 0.0001601200000000, 0.0011737000000000 ] - [ 0.0002720200000000, -0.0026342300000000, -0.0007491100000000 ] - [ -0.0000668300000000, -0.0000411700000000, -0.0002862000000000 ] - [ 0.0008014000000000, 0.0025619000000000, -0.0004484800000000 ] - [ 0.0001728000000000, 0.0001215300000000, 0.0000841900000000 ] - [ 0.0000005300000000, 0.0000005600000000, 0.0000545300000000 ] - [ -0.0000402800000000, -0.0000002700000000, 0.0000664800000000 ] - [ -0.0001070100000000, -0.0003199300000000, -0.0000079000000000 ] - [ 0.0000390500000000, -0.0000002300000000, -0.0000239200000000 ] - [ 0.0014841000000000, -0.0009620400000000, -0.0023168500000000 ] - [ 0.0000160500000000, -0.0000415200000000, 0.0000329500000000 ] - [ 0.0000342600000000, 0.0000395200000000, 0.0000265900000000 ] - [ -0.0000245400000000, -0.0000033000000000, 0.0000392600000000 ] - [ 0.0001620300000000, -0.0000414600000000, -0.0000031700000000 ] - [ -0.0001521500000000, 0.0001006300000000, -0.0001698500000000 ] - [ 0.0001575100000000, 0.0000420800000000, -0.0000108700000000 ] - [ -0.0007129900000000, -0.0031905800000000, 0.0000655300000000 ] - [ 0.0003786800000000, -0.0001902500000000, 0.0000006900000000 ] - [ -0.0000506400000000, 0.0000010300000000, -0.0002160800000000 ] - [ 0.0326271100000000, -0.1312756900000000, 0.0178623500000000 ] - [ -0.0029405500000000, 0.0031399800000000, -0.0089170500000000 ] - [ -0.0006582000000000, -0.0013306600000000, 0.0000046000000000 ] - [ -0.0099173600000000, 0.0028235700000000, -0.0005202000000000 ] - [ -0.0000613200000000, -0.0000839000000000, -0.0002693800000000 ] - [ -0.0002639500000000, 0.0006917500000000, -0.0002258800000000 ] - [ 0.0051854400000000, 0.0026463100000000, 0.0005604800000000 ] - [ -0.0001153600000000, 0.0009231400000000, 0.0001154800000000 ] - [ -0.0001974000000000, 0.0000103700000000, -0.0000702600000000 ] - [ -0.0001842500000000, -0.0004775600000000, -0.0001458000000000 ] - [ 0.0005053500000000, -0.0000665400000000, -0.0003317900000000 ] - [ -0.0000350900000000, -0.0006766700000000, 0.0001341400000000 ] - [ -0.0000409100000000, -0.0000007700000000, -0.0000742100000000 ] - [ -0.0000252100000000, -0.0000471800000000, -0.0001045900000000 ] - [ -0.0000938700000000, -0.0000035600000000, -0.0000132300000000 ] - [ -0.0000260500000000, 0.0001087700000000, 0.0000136200000000 ] - [ 0.0000673000000000, 0.0000000800000000, -0.0000264700000000 ] - [ -0.0000082700000000, 0.0000534900000000, -0.0000897000000000 ] - [ 0.0000032300000000, -0.0000002900000000, -0.0000114400000000 ] - [ 0.0000499600000000, -0.0001446500000000, -0.0000078300000000 ] - [ -0.0000839300000000, 0.0000000600000000, -0.0000064900000000 ] - [ -0.0000425100000000, 0.0000294600000000, -0.0000756200000000 ] - [ -0.0000729500000000, 0.0000004200000000, -0.0001191100000000 ] - [ 0.0000372700000000, 0.0000036700000000, 0.0000745000000000 ] - [ 0.0001160300000000, 0.0000172000000000, -0.0001854000000000 ] - [ -0.0000257600000000, -0.0000228500000000, -0.0000515100000000 ] - [ 0.0000364100000000, -0.0000003600000000, 0.0000054000000000 ] - [ 0.0000370100000000, -0.0000033400000000, 0.0000733300000000 ] - [ 0.0000528800000000, -0.0000105300000000, -0.0000386300000000 ] - [ -0.0000598400000000, 0.0008773700000000, -0.0003649100000000 ] - [ 0.0000362200000000, 0.0000011200000000, -0.0000168000000000 ] - [ 0.0000663800000000, 0.0000515200000000, -0.0000357800000000 ] - [ -0.0009818000000000, 0.0023254400000000, -0.0061653000000000 ] - [ 0.0000307700000000, -0.0005988000000000, -0.0001638200000000 ] - [ 0.0007490300000000, -0.0001476500000000, -0.0003153600000000 ] - [ 0.0001583400000000, -0.0000964600000000, -0.0000268700000000 ] - [ -0.0001450100000000, -0.0000772400000000, -0.0001634900000000 ] - [ -0.0000808900000000, -0.0000178000000000, -0.0001501500000000 ] - [ -0.0002566500000000, 0.0006420000000000, -0.0002711900000000 ] - [ -0.0001764400000000, -0.0006181900000000, -0.0002105200000000 ] - [ -0.0008534500000000, 0.0017377500000000, -0.0000452600000000 ] - [ -0.0004766400000000, -0.0000027300000000, 0.0008317700000000 ] - [ 0.0035949800000000, 0.0306279100000000, 0.0002120600000000 ] - [ -0.0072026600000000, 0.0023536500000000, 0.0009594200000000 ] - [ 0.0015029100000000, 0.0024851200000000, 0.0041508500000000 ] - [ -0.0000582100000000, -0.0000813400000000, 0.0001938600000000 ] - [ 0.0047875300000000, 0.0014060400000000, -0.0006506300000000 ] - [ -0.0004016500000000, -0.0019738200000000, 0.0006198800000000 ] - [ -0.0001012800000000, -0.0000030700000000, 0.0000332300000000 ] - [ -0.0000200100000000, 0.0000793100000000, 0.0001139100000000 ] - [ -0.0002304300000000, 0.0000095000000000, 0.0001052100000000 ] - [ 0.0003698200000000, 0.0010467300000000, -0.0002918900000000 ] - [ -0.0000514700000000, 0.0000036800000000, 0.0000151600000000 ] - [ -0.0000079800000000, -0.0000533500000000, -0.0000881900000000 ] - [ -0.0001187300000000, 0.0000155600000000, 0.0004030200000000 ] - [ 0.0000555200000000, 0.0001438200000000, -0.0000049800000000 ] - [ 0.0000662300000000, 0.0000001900000000, -0.0000225900000000 ] - [ -0.0000243300000000, 0.0000480300000000, -0.0001055000000000 ] - [ -0.0000136800000000, 0.0000000100000000, 0.0000036700000000 ] - [ -0.0000217500000000, -0.0001083000000000, 0.0000067900000000 ] - [ -0.0000836300000000, 0.0000000500000000, -0.0000086000000000 ] - [ -0.0000250000000000, 0.0000228900000000, -0.0000502100000000 ] - [ -0.0000868000000000, 0.0000002300000000, -0.0000996700000000 ] - [ 0.0000334700000000, 0.0000034400000000, 0.0000824200000000 ] - [ 0.0001600000000000, -0.0000033100000000, -0.0000590900000000 ] - [ -0.0000401300000000, -0.0000278600000000, -0.0000747700000000 ] - [ 0.0000116200000000, -0.0000007100000000, 0.0000172300000000 ] - [ 0.0000333800000000, -0.0000030200000000, 0.0000810200000000 ] - [ -0.0000084000000000, 0.0000052700000000, 0.0000660600000000 ] - [ -0.0001507400000000, -0.0000155000000000, 0.0001682900000000 ] - [ 0.0000121200000000, 0.0000010300000000, -0.0000059300000000 ] - [ 0.0001746400000000, 0.0000958900000000, -0.0000287600000000 ] - [ -0.0004892100000000, 0.0000329200000000, 0.0006714400000000 ] - [ -0.0000254400000000, 0.0000406800000000, 0.0000323300000000 ] - [ -0.0000190200000000, 0.0000266600000000, -0.0000525300000000 ] - [ 0.0000737000000000, -0.0000516400000000, -0.0000514400000000 ] - [ 0.0023754500000000, 0.0015674200000000, 0.0056731400000000 ] - [ -0.0001794200000000, 0.0000805800000000, 0.0005073200000000 ] - [ -0.0005164800000000, -0.0037444200000000, 0.0014996200000000 ] - [ 0.0001313300000000, 0.0010959000000000, 0.0002200000000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008245800000000, -0.0000303100000000, -0.0021612800000000 ] - [ -0.0030578700000000, -0.0103322000000000, 0.0047988400000000 ] - [ 0.0001549400000000, 0.0000143000000000, -0.0000209300000000 ] - [ 0.0007224800000000, -0.0000702300000000, 0.0007089900000000 ] - [ -0.0000024400000000, 0.0000003200000000, -0.0000466100000000 ] - [ 0.0000146400000000, -0.0000008300000000, -0.0000283600000000 ] - [ 0.0000251300000000, -0.0000003100000000, -0.0000034800000000 ] - [ 0.0000043100000000, -0.0000001100000000, -0.0000686000000000 ] - [ -0.0013200000000000, -0.0001642200000000, -0.0009456100000000 ] - [ 0.0001496000000000, -0.0000309300000000, -0.0001727000000000 ] - [ 0.0013750900000000, 0.0002472700000000, 0.0002453600000000 ] - [ 0.0005934900000000, -0.0001181300000000, 0.0008290000000000 ] - [ -0.0000960200000000, -0.0000120900000000, 0.0000208000000000 ] - [ -0.0000380000000000, -0.0001874800000000, 0.0002562800000000 ] - [ -0.0000079800000000, 0.0000004500000000, -0.0000363400000000 ] - [ 0.0000617200000000, -0.0000000200000000, -0.0000227800000000 ] - [ -0.0000149100000000, 0.0000022700000000, -0.0000163400000000 ] - [ -0.0000041200000000, 0.0000006500000000, -0.0000559000000000 ] - [ -0.0003066600000000, 0.0003273700000000, 0.0003506600000000 ] - [ 0.0000351800000000, 0.0000336000000000, -0.0000079000000000 ] - [ -0.0026263100000000, -0.0001175500000000, 0.0010206100000000 ] - [ 0.0088895300000000, -0.0162117400000000, -0.0135277000000000 ] - [ -0.0024423300000000, -0.0096720000000000, -0.0016841400000000 ] - [ 0.0000416200000000, -0.0003088600000000, -0.0021676400000000 ] - [ -0.0000204300000000, 0.0066980100000000, 0.0001372800000000 ] - [ 0.0000604300000000, -0.0001416200000000, 0.0000190800000000 ] - [ 0.0000067400000000, 0.0000004000000000, -0.0000248200000000 ] - [ -0.0000432000000000, -0.0000005400000000, -0.0000629900000000 ] - [ -0.0002154900000000, -0.0000677700000000, -0.0000826900000000 ] - [ 0.0000402500000000, 0.0000007400000000, -0.0001100000000000 ] - [ -0.0006380300000000, -0.0000068600000000, -0.0001682500000000 ] - [ 0.0000107800000000, -0.0000432300000000, -0.0000499300000000 ] - [ 0.0000291300000000, 0.0000416600000000, -0.0000570400000000 ] - [ -0.0000401300000000, 0.0000011700000000, -0.0000607100000000 ] - [ 0.0001798500000000, 0.0000159800000000, -0.0000853200000000 ] - [ 0.0000114000000000, 0.0000975600000000, 0.0001764100000000 ] - [ 0.0001781500000000, -0.0000151800000000, -0.0000944100000000 ] - [ -0.0003987700000000, -0.0001640700000000, -0.0000949100000000 ] - [ 0.0010259500000000, -0.0029096500000000, -0.0001681100000000 ] - [ -0.0000031800000000, -0.0000123000000000, -0.0000981500000000 ] - [ 0.0285419600000000, -0.0572069800000000, 0.0267092000000000 ] - [ -0.0017555600000000, -0.0001577800000000, -0.0011917800000000 ] - [ -0.0002472100000000, 0.0023453600000000, 0.0007304900000000 ] - [ -0.0002428200000000, 0.0000398500000000, 0.0004123200000000 ] - [ -0.0007556100000000, -0.0022728200000000, 0.0004413000000000 ] - [ -0.0002431200000000, 0.0000597400000000, -0.0001048700000000 ] - [ -0.0000021600000000, 0.0000001200000000, -0.0000135700000000 ] - [ -0.0000472900000000, 0.0000006300000000, -0.0000124300000000 ] - [ 0.0000386100000000, 0.0001399200000000, -0.0000122900000000 ] - [ 0.0000674100000000, 0.0000003600000000, -0.0001000100000000 ] - [ -0.0018266700000000, 0.0009469200000000, 0.0023477500000000 ] - [ 0.0000292100000000, -0.0000405600000000, -0.0000566200000000 ] - [ 0.0000109000000000, 0.0000434600000000, -0.0000501000000000 ] - [ -0.0001024500000000, 0.0000036900000000, 0.0000208000000000 ] - [ 0.0001093900000000, 0.0000132700000000, -0.0000325000000000 ] - [ 0.0000750700000000, -0.0001032800000000, 0.0001610200000000 ] - [ 0.0001140600000000, -0.0000130900000000, -0.0000264000000000 ] - [ 0.0007677400000000, 0.0032232800000000, -0.0001579400000000 ] - [ -0.0003333200000000, 0.0001653600000000, -0.0000868000000000 ] - [ 0.0001420900000000, -0.0000009600000000, 0.0001907400000000 ] - [ -0.0345471000000000, 0.1329599900000000, -0.0198826400000000 ] - [ 0.0027171100000000, -0.0031925000000000, 0.0091548400000000 ] - [ 0.0006132100000000, 0.0010671700000000, -0.0000121600000000 ] - [ 0.0097828600000000, -0.0028639500000000, 0.0004814200000000 ] - [ -0.0000884400000000, 0.0000823100000000, 0.0001904600000000 ] - [ 0.0001388300000000, -0.0007106000000000, 0.0003163500000000 ] - [ -0.0050646400000000, -0.0026045900000000, -0.0008174700000000 ] - [ 0.0000088600000000, -0.0009248700000000, -0.0001375800000000 ] - [ -0.0001049000000000, -0.0000101700000000, 0.0002295800000000 ] - [ 0.0000578200000000, 0.0004976600000000, 0.0002311900000000 ] - [ -0.0005960700000000, 0.0000658700000000, 0.0003522900000000 ] - [ -0.0000721300000000, 0.0006799200000000, -0.0001586100000000 ] - [ -0.0000198000000000, 0.0000012700000000, 0.0000122600000000 ] - [ 0.0000049500000000, -0.0000724100000000, -0.0000306800000000 ] - [ 0.0000500200000000, 0.0000040300000000, -0.0000841200000000 ] - [ 0.0000434000000000, 0.0001149500000000, 0.0000215500000000 ] - [ 0.0000611200000000, 0.0000001700000000, 0.0000559700000000 ] - [ -0.0000119300000000, 0.0000674100000000, -0.0000482800000000 ] - [ -0.0000363500000000, 0.0000007500000000, 0.0000642600000000 ] - [ -0.0000321800000000, -0.0000775800000000, 0.0000411800000000 ] - [ -0.0000868900000000, 0.0000003000000000, 0.0000432400000000 ] - [ -0.0000123000000000, 0.0000015700000000, 0.0000067100000000 ] - [ -0.0000860600000000, 0.0000000800000000, -0.0000409500000000 ] - [ 0.0000370000000000, 0.0000018600000000, 0.0001318400000000 ] - [ 0.0001468700000000, -0.0000167400000000, 0.0001263300000000 ] - [ -0.0000287500000000, -0.0000072800000000, -0.0000196100000000 ] - [ -0.0000115100000000, 0.0000008800000000, 0.0000761900000000 ] - [ 0.0000371000000000, -0.0000013100000000, 0.0001308800000000 ] - [ 0.0000267100000000, 0.0000108100000000, 0.0000583900000000 ] - [ 0.0000992800000000, -0.0008392900000000, 0.0003691800000000 ] - [ 0.0000134300000000, -0.0000006300000000, 0.0000504800000000 ] - [ 0.0001582800000000, 0.0000696700000000, -0.0000059500000000 ] - [ 0.0009745900000000, -0.0023337800000000, 0.0064884400000000 ] - [ 0.0000094200000000, 0.0005620500000000, 0.0001690800000000 ] - [ -0.0004303800000000, 0.0001512600000000, 0.0002363700000000 ] - [ 0.0000645200000000, -0.0000245900000000, -0.0000167600000000 ] - [ 0.0001315300000000, 0.0000785800000000, 0.0003876600000000 ] - [ 0.0001169000000000, 0.0000183300000000, 0.0001308000000000 ] - [ 0.0003578900000000, -0.0005908600000000, 0.0003353900000000 ] - [ 0.0002771200000000, 0.0005677400000000, 0.0002724200000000 ] - [ 0.0008116300000000, -0.0014738500000000, 0.0000389600000000 ] - [ 0.0002758800000000, 0.0000049500000000, -0.0005558400000000 ] - [ -0.0036703600000000, -0.0307993400000000, -0.0002566200000000 ] - [ 0.0072442400000000, -0.0023591500000000, -0.0009845100000000 ] - [ -0.0016854300000000, -0.0024557600000000, -0.0042505300000000 ] - [ -0.0000695500000000, 0.0000624600000000, -0.0001026600000000 ] - [ -0.0046265100000000, -0.0014227200000000, 0.0004075100000000 ] - [ 0.0002537000000000, 0.0019819700000000, -0.0006110400000000 ] - [ -0.0002006200000000, 0.0000031900000000, 0.0001262700000000 ] - [ -0.0001057800000000, -0.0000596700000000, -0.0000288200000000 ] - [ 0.0001403800000000, -0.0000092600000000, -0.0000851900000000 ] - [ -0.0004798800000000, -0.0010460000000000, 0.0002539000000000 ] - [ -0.0000096100000000, -0.0000032400000000, -0.0000767500000000 ] - [ -0.0000120000000000, -0.0000666800000000, -0.0000476900000000 ] - [ 0.0000746300000000, -0.0000142100000000, -0.0005011000000000 ] - [ -0.0000376200000000, 0.0000793000000000, 0.0000407100000000 ] - [ 0.0000620200000000, 0.0000002700000000, 0.0000520900000000 ] - [ 0.0000040800000000, 0.0000723800000000, -0.0000319500000000 ] - [ -0.0000190700000000, 0.0000004600000000, 0.0000493900000000 ] - [ 0.0000391200000000, -0.0001145700000000, 0.0000257100000000 ] - [ -0.0000870900000000, 0.0000003400000000, 0.0000454800000000 ] - [ -0.0000295500000000, 0.0000079500000000, -0.0000188400000000 ] - [ -0.0000717700000000, 0.0000001900000000, -0.0000605100000000 ] - [ 0.0000409300000000, 0.0000012200000000, 0.0001242700000000 ] - [ 0.0001029100000000, 0.0000038500000000, -0.0000016800000000 ] - [ -0.0000148100000000, -0.0000020300000000, 0.0000043400000000 ] - [ 0.0000134500000000, 0.0000011600000000, 0.0000639100000000 ] - [ 0.0000410200000000, -0.0000007000000000, 0.0001233100000000 ] - [ 0.0000886600000000, -0.0000051500000000, -0.0000480700000000 ] - [ 0.0001949300000000, 0.0000549600000000, -0.0001714500000000 ] - [ 0.0000384700000000, -0.0000005900000000, 0.0000399800000000 ] - [ 0.0000483100000000, 0.0000257800000000, -0.0000128300000000 ] - [ 0.0004614500000000, -0.0000341700000000, -0.0004200700000000 ] - [ 0.0000652800000000, -0.0000795300000000, -0.0000318400000000 ] - [ 0.0003447800000000, -0.0000262900000000, -0.0000249700000000 ] - [ 0.0001507700000000, -0.0000688400000000, 0.0000079600000000 ] - [ -0.0023793900000000, -0.0015851200000000, -0.0054156900000000 ] - [ 0.0002106700000000, -0.0000837400000000, -0.0005321100000000 ] - [ 0.0006282400000000, 0.0037999100000000, -0.0014837300000000 ] - [ -0.0000353300000000, -0.0011732800000000, -0.0001672300000000 ]- atom: 61 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0030249200000000, 0.0021390400000000, 0.0040124000000000 ] - [ -0.0006450900000000, -0.0024608500000000, 0.0128937800000000 ] - [ 0.0001472000000000, 0.0001080300000000, -0.0013137700000000 ] - [ -0.0023603400000000, 0.0002969400000000, -0.0010572800000000 ] - [ -0.0000220500000000, 0.0000013400000000, -0.0009399600000000 ] - [ -0.0001019800000000, 0.0000083200000000, -0.0010085100000000 ] - [ 0.0001367400000000, -0.0000126200000000, -0.0009702100000000 ] - [ -0.0000531700000000, -0.0000019800000000, -0.0010942100000000 ] - [ -0.0027446100000000, -0.0002330000000000, -0.0005088700000000 ] - [ 0.0000832300000000, -0.0001253000000000, -0.0015226200000000 ] - [ -0.0036665700000000, -0.0005908700000000, 0.0021108400000000 ] - [ -0.0017174300000000, -0.0000077000000000, 0.0016261700000000 ] - [ -0.0000751900000000, 0.0000710600000000, -0.0006297500000000 ] - [ 0.0010282700000000, 0.0009522000000000, -0.0005497000000000 ] - [ -0.0000054100000000, 0.0000010200000000, -0.0009072200000000 ] - [ 0.0000844400000000, 0.0000080200000000, -0.0010886600000000 ] - [ -0.0001307600000000, -0.0000108700000000, -0.0008110900000000 ] - [ -0.0000136400000000, -0.0000009300000000, -0.0010633800000000 ] - [ 0.0019274400000000, -0.0016306100000000, -0.0009818400000000 ] - [ 0.0002426700000000, -0.0001213900000000, -0.0007406200000000 ] - [ -0.0012462300000000, -0.0003687900000000, 0.0035501300000000 ] - [ -0.0046186600000000, 0.0106280900000000, 0.0263078400000000 ] - [ 0.0202838800000000, 0.0029330900000000, 0.0237376800000000 ] - [ 0.0000553000000000, -0.0008132500000000, -0.0048115100000000 ] - [ -0.0013469100000000, -0.0000438900000000, 0.0069629500000000 ] - [ 0.0004336300000000, 0.0000723400000000, -0.0015893300000000 ] - [ 0.0000428800000000, 0.0000004900000000, -0.0015261400000000 ] - [ -0.0000377000000000, -0.0000079400000000, -0.0015681200000000 ] - [ -0.0007832400000000, -0.0001364900000000, -0.0013012000000000 ] - [ 0.0000363300000000, 0.0000053900000000, -0.0015353900000000 ] - [ -0.0017238600000000, -0.0000824300000000, 0.0002818200000000 ] - [ -0.0000340300000000, 0.0000211900000000, -0.0014148400000000 ] - [ 0.0000050400000000, -0.0000291400000000, -0.0014571100000000 ] - [ -0.0000064000000000, -0.0000221500000000, -0.0016562800000000 ] - [ 0.0000173700000000, 0.0000908300000000, -0.0015556500000000 ] - [ -0.0015230800000000, 0.0002691600000000, -0.0016370700000000 ] - [ -0.0000091800000000, -0.0000895900000000, -0.0015896800000000 ] - [ 0.0001519400000000, -0.0000053900000000, 0.0006862100000000 ] - [ -0.0002036500000000, 0.0001467700000000, -0.0054229000000000 ] - [ -0.0002018200000000, 0.0000131000000000, -0.0009386900000000 ] - [ 0.0142715900000000, -0.0280260700000000, 0.0237008700000000 ] - [ -0.0011306800000000, -0.0000016800000000, 0.0032640100000000 ] - [ 0.0003119000000000, 0.0004319800000000, 0.0041740400000000 ] - [ 0.0000561700000000, -0.0002144000000000, 0.0003803700000000 ] - [ 0.0020114100000000, -0.0003476300000000, 0.0050449300000000 ] - [ -0.0010007600000000, 0.0001221800000000, -0.0014268600000000 ] - [ 0.0000483100000000, -0.0000001800000000, -0.0014381400000000 ] - [ 0.0000409600000000, -0.0000032400000000, -0.0014269800000000 ] - [ 0.0005731600000000, -0.0000779100000000, -0.0014084100000000 ] - [ 0.0001527700000000, 0.0000035000000000, -0.0016005500000000 ] - [ 0.0036041400000000, -0.0026422700000000, -0.0029203700000000 ] - [ 0.0000035800000000, 0.0000289600000000, -0.0014584900000000 ] - [ -0.0000314800000000, -0.0000214900000000, -0.0014130600000000 ] - [ 0.0000070100000000, -0.0000189600000000, -0.0013312200000000 ] - [ 0.0002344100000000, 0.0000299800000000, -0.0013346300000000 ] - [ 0.0011588200000000, 0.0003904000000000, -0.0015837200000000 ] - [ 0.0002151500000000, -0.0000296200000000, -0.0013596600000000 ] - [ 0.0027740600000000, -0.0002387200000000, -0.0028729500000000 ] - [ -0.0001969400000000, -0.0000017500000000, 0.0006189600000000 ] - [ 0.0003696500000000, 0.0000483700000000, -0.0020764200000000 ] - [ -0.0360760900000000, 0.0234330900000000, -0.0990603200000000 ] - [ 0.0039883700000000, -0.0096813500000000, 0.0107639200000000 ] - [ 0.0006528800000000, -0.0000518100000000, -0.0019288100000000 ] - [ 0.0020225000000000, -0.0021599200000000, -0.0072540500000000 ] - [ -0.0000993800000000, -0.0003495500000000, -0.0014041900000000 ] - [ 0.0010466000000000, -0.0004722900000000, 0.0021662700000000 ] - [ 0.0022188900000000, 0.0027239200000000, -0.0059278500000000 ] - [ 0.0018947600000000, 0.0001176700000000, -0.0006773600000000 ] - [ -0.0000103100000000, -0.0000613800000000, 0.0015388400000000 ] - [ 0.0006632000000000, 0.0003118200000000, 0.0014952100000000 ] - [ -0.0010697300000000, -0.0000748200000000, 0.0013827100000000 ] - [ 0.0017029400000000, -0.0000630800000000, -0.0003190100000000 ] - [ -0.0000015900000000, 0.0000431100000000, 0.0009652600000000 ] - [ 0.0001483500000000, -0.0001670800000000, 0.0008304200000000 ] - [ 0.0003604600000000, 0.0000198500000000, 0.0004295800000000 ] - [ 0.0001450800000000, 0.0001887500000000, 0.0007603300000000 ] - [ 0.0000116900000000, -0.0000010000000000, 0.0012619800000000 ] - [ 0.0000708500000000, 0.0001472800000000, 0.0007924100000000 ] - [ -0.0001925200000000, -0.0000007500000000, 0.0009751500000000 ] - [ 0.0000627100000000, -0.0002036500000000, 0.0009941400000000 ] - [ -0.0002518200000000, 0.0000007700000000, 0.0009290700000000 ] - [ 0.0001463200000000, -0.0000926100000000, 0.0008582600000000 ] - [ -0.0001342200000000, 0.0000010900000000, 0.0012158300000000 ] - [ 0.0001637400000000, 0.0001017500000000, 0.0010013300000000 ] - [ 0.0002759100000000, -0.0000350500000000, 0.0013776300000000 ] - [ 0.0000360800000000, 0.0000724200000000, 0.0008338300000000 ] - [ -0.0001520800000000, -0.0000033000000000, 0.0010082100000000 ] - [ 0.0001641600000000, -0.0001015600000000, 0.0009978900000000 ] - [ 0.0001639800000000, 0.0000355000000000, 0.0009675500000000 ] - [ 0.0013487400000000, -0.0002615700000000, 0.0020792300000000 ] - [ -0.0000142000000000, 0.0000039400000000, 0.0013328700000000 ] - [ 0.0001665900000000, 0.0001119500000000, 0.0006493100000000 ] - [ 0.0020144300000000, -0.0035615400000000, 0.0056892200000000 ] - [ 0.0009999700000000, 0.0001484200000000, 0.0014203900000000 ] - [ -0.0006554000000000, -0.0003152100000000, 0.0015665700000000 ] - [ 0.0002273400000000, -0.0001775100000000, 0.0010396700000000 ] - [ -0.0003510500000000, -0.0002468600000000, -0.0013565600000000 ] - [ 0.0003696200000000, -0.0000200600000000, 0.0001495300000000 ] - [ 0.0013851400000000, 0.0001745700000000, -0.0011252500000000 ] - [ 0.0014458300000000, -0.0001707600000000, -0.0009560200000000 ] - [ 0.0011434600000000, -0.0000260400000000, -0.0018257400000000 ] - [ -0.0001549900000000, 0.0002750800000000, -0.0015973400000000 ] - [ -0.0015848900000000, -0.0009055100000000, -0.0082040300000000 ] - [ 0.0027351200000000, -0.0008469200000000, -0.0042458300000000 ] - [ 0.0018056000000000, 0.0059753400000000, 0.0049786600000000 ] - [ -0.0006003400000000, 0.0000423700000000, 0.0006019800000000 ] - [ 0.0013854100000000, 0.0006595900000000, -0.0049688700000000 ] - [ -0.0069538900000000, -0.0001169000000000, 0.0037095700000000 ] - [ -0.0003608600000000, -0.0000213100000000, 0.0012347300000000 ] - [ -0.0003635000000000, -0.0000479000000000, 0.0001986400000000 ] - [ 0.0004948600000000, -0.0000308800000000, 0.0002800000000000 ] - [ -0.0020192700000000, -0.0000497200000000, -0.0015539800000000 ] - [ -0.0003503600000000, 0.0000168700000000, 0.0008251100000000 ] - [ 0.0000702500000000, -0.0001480500000000, 0.0007985900000000 ] - [ -0.0005620700000000, 0.0000868800000000, 0.0014585200000000 ] - [ 0.0000435500000000, 0.0002065100000000, 0.0010339400000000 ] - [ 0.0000106000000000, -0.0000010100000000, 0.0012697500000000 ] - [ 0.0001460900000000, 0.0001648500000000, 0.0008205400000000 ] - [ -0.0001736400000000, -0.0000014800000000, 0.0008940200000000 ] - [ 0.0001649500000000, -0.0001884800000000, 0.0007310300000000 ] - [ -0.0002449000000000, 0.0000007600000000, 0.0009243200000000 ] - [ 0.0000339200000000, -0.0000729400000000, 0.0008415400000000 ] - [ -0.0001332500000000, 0.0000013400000000, 0.0011038900000000 ] - [ 0.0001367900000000, 0.0000906500000000, 0.0009544700000000 ] - [ -0.0000970900000000, -0.0000146800000000, 0.0011360600000000 ] - [ 0.0001453400000000, 0.0000914400000000, 0.0008471400000000 ] - [ -0.0001576500000000, -0.0000022100000000, 0.0008928500000000 ] - [ 0.0001370700000000, -0.0000904000000000, 0.0009519600000000 ] - [ -0.0003792400000000, 0.0000149700000000, 0.0009152900000000 ] - [ -0.0010655800000000, 0.0000740600000000, 0.0006869800000000 ] - [ -0.0000464000000000, 0.0000024500000000, 0.0011880700000000 ] - [ 0.0002263000000000, 0.0001914300000000, 0.0011123600000000 ] - [ -0.0004770900000000, 0.0002949700000000, -0.0018365200000000 ] - [ -0.0005356500000000, -0.0000381800000000, 0.0001107200000000 ] - [ 0.0006211100000000, 0.0000219600000000, -0.0000694200000000 ] - [ 0.0001976700000000, -0.0001106600000000, 0.0005966300000000 ] - [ 0.0026837300000000, 0.0044869300000000, 0.0066338300000000 ] - [ -0.0006055800000000, 0.0003836400000000, 0.0020971900000000 ] - [ -0.0061087300000000, -0.0006139000000000, 0.0060479400000000 ] - [ -0.0019991200000000, 0.0004791900000000, -0.0015477300000000 ]- atom: 61 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0029482400000000, -0.0021387900000000, -0.0041438900000000 ] - [ 0.0007170700000000, 0.0028101800000000, -0.0131462800000000 ] - [ -0.0002656300000000, -0.0001080000000000, 0.0012970400000000 ] - [ 0.0021724000000000, -0.0002992300000000, 0.0011422900000000 ] - [ 0.0000074500000000, -0.0000013900000000, 0.0009090900000000 ] - [ 0.0001728700000000, -0.0000081000000000, 0.0010010700000000 ] - [ -0.0000922400000000, 0.0000124300000000, 0.0010074700000000 ] - [ 0.0000563200000000, 0.0000021800000000, 0.0010334100000000 ] - [ 0.0026833500000000, 0.0002311700000000, 0.0004339300000000 ] - [ 0.0001609000000000, 0.0001249800000000, 0.0014771200000000 ] - [ 0.0037122100000000, 0.0005732500000000, -0.0022496900000000 ] - [ 0.0015547000000000, 0.0000108100000000, -0.0016726800000000 ] - [ -0.0000421900000000, -0.0000706400000000, 0.0006102400000000 ] - [ -0.0012290600000000, -0.0009534100000000, 0.0006334300000000 ] - [ -0.0000086400000000, -0.0000005500000000, 0.0008770300000000 ] - [ -0.0000145000000000, -0.0000075400000000, 0.0010807300000000 ] - [ 0.0001738900000000, 0.0000109800000000, 0.0008490400000000 ] - [ 0.0000168100000000, 0.0000012800000000, 0.0010024200000000 ] - [ -0.0019716000000000, 0.0016242700000000, 0.0009081300000000 ] - [ 0.0000023000000000, 0.0001214000000000, 0.0006981900000000 ] - [ 0.0013498400000000, 0.0003652700000000, -0.0035615400000000 ] - [ 0.0043221800000000, -0.0099215000000000, -0.0258136100000000 ] - [ -0.0216125200000000, -0.0033527400000000, -0.0244252600000000 ] - [ -0.0003684300000000, 0.0008192000000000, 0.0049441700000000 ] - [ 0.0013928300000000, 0.0003380200000000, -0.0070457600000000 ] - [ -0.0005056300000000, 0.0001077200000000, 0.0015691800000000 ] - [ -0.0000416000000000, -0.0000004100000000, 0.0015683700000000 ] - [ -0.0000529000000000, 0.0000078500000000, 0.0016194200000000 ] - [ 0.0007160200000000, -0.0000435200000000, 0.0012792100000000 ] - [ 0.0000666500000000, -0.0000055300000000, 0.0014090700000000 ] - [ 0.0013874400000000, 0.0000843700000000, -0.0002800900000000 ] - [ 0.0000792100000000, -0.0001036200000000, 0.0013914000000000 ] - [ 0.0000399800000000, 0.0001115400000000, 0.0014335600000000 ] - [ -0.0001179600000000, 0.0000223200000000, 0.0017181300000000 ] - [ 0.0002541000000000, -0.0001185700000000, 0.0015186800000000 ] - [ 0.0014345100000000, -0.0002684400000000, 0.0016208900000000 ] - [ 0.0002805600000000, 0.0001171800000000, 0.0015509100000000 ] - [ -0.0001013000000000, 0.0000312900000000, -0.0007637600000000 ] - [ 0.0002612700000000, -0.0001754900000000, 0.0053034200000000 ] - [ 0.0002964700000000, -0.0000129500000000, 0.0009179300000000 ] - [ -0.0138844100000000, 0.0274042300000000, -0.0237948300000000 ] - [ 0.0012971100000000, 0.0000045700000000, -0.0032500200000000 ] - [ -0.0002728600000000, -0.0007292700000000, -0.0042231800000000 ] - [ -0.0003706100000000, 0.0002148700000000, -0.0002626800000000 ] - [ -0.0019666800000000, 0.0006446900000000, -0.0050924400000000 ] - [ 0.0009344200000000, 0.0000579300000000, 0.0014056600000000 ] - [ -0.0000468400000000, 0.0000002200000000, 0.0014808700000000 ] - [ -0.0001317700000000, 0.0000031200000000, 0.0014779000000000 ] - [ -0.0006455600000000, -0.0001021600000000, 0.0013876600000000 ] - [ -0.0000492800000000, -0.0000036500000000, 0.0014738400000000 ] - [ -0.0039668300000000, 0.0026555600000000, 0.0029443800000000 ] - [ 0.0000414200000000, -0.0001114000000000, 0.0014353000000000 ] - [ 0.0000766600000000, 0.0001039000000000, 0.0013892700000000 ] - [ -0.0001312800000000, 0.0000190600000000, 0.0013920000000000 ] - [ 0.0000379700000000, -0.0000579000000000, 0.0012986900000000 ] - [ -0.0012362900000000, -0.0003889100000000, 0.0015693700000000 ] - [ 0.0000571200000000, 0.0000574300000000, 0.0013218800000000 ] - [ -0.0027044700000000, 0.0002659300000000, 0.0027829100000000 ] - [ 0.0002466700000000, -0.0000243100000000, -0.0006972900000000 ] - [ -0.0002728300000000, -0.0000482100000000, 0.0020514700000000 ] - [ 0.0373500900000000, -0.0234962300000000, 0.0995056800000000 ] - [ -0.0042355100000000, 0.0098300000000000, -0.0106101900000000 ] - [ -0.0007016800000000, -0.0002202400000000, 0.0019145300000000 ] - [ -0.0020464200000000, 0.0021532100000000, 0.0072567500000000 ] - [ -0.0000517400000000, 0.0003511900000000, 0.0013346500000000 ] - [ -0.0011774300000000, 0.0004560300000000, -0.0020829800000000 ] - [ -0.0020481600000000, -0.0027155100000000, 0.0057086200000000 ] - [ -0.0020149100000000, -0.0001161100000000, 0.0006655400000000 ] - [ -0.0002924400000000, 0.0000617400000000, -0.0013795300000000 ] - [ -0.0007909300000000, -0.0002937300000000, -0.0014095100000000 ] - [ 0.0009842600000000, 0.0000741000000000, -0.0013633200000000 ] - [ -0.0017979200000000, 0.0000618400000000, 0.0003182700000000 ] - [ -0.0000603400000000, -0.0000435300000000, -0.0010269200000000 ] - [ -0.0001669600000000, 0.0000441600000000, -0.0009638700000000 ] - [ -0.0004062100000000, -0.0000202900000000, -0.0005249600000000 ] - [ -0.0001281000000000, 0.0000340500000000, -0.0007242300000000 ] - [ 0.0001159900000000, 0.0000008700000000, -0.0012331400000000 ] - [ -0.0000892500000000, -0.0000242000000000, -0.0009281200000000 ] - [ 0.0001579400000000, 0.0000007900000000, -0.0009213800000000 ] - [ -0.0000456400000000, -0.0000187600000000, -0.0009612300000000 ] - [ 0.0000830300000000, -0.0000008300000000, -0.0008910800000000 ] - [ -0.0001993700000000, 0.0001186900000000, -0.0009252800000000 ] - [ -0.0000238800000000, -0.0000011000000000, -0.0013739000000000 ] - [ -0.0000908700000000, -0.0001003200000000, -0.0007945300000000 ] - [ -0.0000144100000000, 0.0000348300000000, -0.0014369500000000 ] - [ -0.0000896300000000, -0.0000986900000000, -0.0009028800000000 ] - [ 0.0001745800000000, 0.0000033900000000, -0.0009263300000000 ] - [ -0.0000913800000000, 0.0001000400000000, -0.0007933800000000 ] - [ -0.0000788500000000, -0.0000354800000000, -0.0009465600000000 ] - [ -0.0013033500000000, 0.0002954000000000, -0.0020683300000000 ] - [ 0.0000656800000000, -0.0000039500000000, -0.0012951500000000 ] - [ 0.0000551900000000, 0.0000020300000000, -0.0006915600000000 ] - [ -0.0020294200000000, 0.0035218400000000, -0.0053652100000000 ] - [ -0.0009575600000000, -0.0001820700000000, -0.0014149000000000 ] - [ 0.0009748900000000, 0.0003143800000000, -0.0016426600000000 ] - [ -0.0000060200000000, 0.0000630800000000, -0.0010825500000000 ] - [ 0.0003287200000000, 0.0002451500000000, 0.0015721300000000 ] - [ -0.0003292700000000, 0.0000196900000000, -0.0001710400000000 ] - [ -0.0012812200000000, -0.0001225600000000, 0.0011739900000000 ] - [ -0.0013403700000000, 0.0001182500000000, 0.0010050300000000 ] - [ -0.0011919500000000, 0.0002983800000000, 0.0018126000000000 ] - [ -0.0000415600000000, -0.0002766900000000, 0.0018946400000000 ] - [ 0.0015459000000000, 0.0005932400000000, 0.0081925700000000 ] - [ -0.0028157100000000, 0.0008506500000000, 0.0042178400000000 ] - [ -0.0019834000000000, -0.0060576600000000, -0.0051193500000000 ] - [ 0.0004780300000000, -0.0000617600000000, -0.0005101400000000 ] - [ -0.0012769200000000, -0.0006746100000000, 0.0047249500000000 ] - [ 0.0069017500000000, 0.0001226300000000, -0.0037589700000000 ] - [ 0.0000597700000000, 0.0000213000000000, -0.0010742700000000 ] - [ 0.0002402800000000, 0.0000672500000000, -0.0001080600000000 ] - [ -0.0005870100000000, 0.0000312900000000, -0.0002547300000000 ] - [ 0.0019121900000000, 0.0000453300000000, 0.0015401000000000 ] - [ 0.0002900100000000, -0.0000170600000000, -0.0008864700000000 ] - [ -0.0000885200000000, 0.0000249400000000, -0.0009322700000000 ] - [ 0.0005199800000000, -0.0000864800000000, -0.0015597300000000 ] - [ -0.0000262300000000, 0.0000159100000000, -0.0009989400000000 ] - [ 0.0001167100000000, 0.0000009600000000, -0.0012408600000000 ] - [ -0.0001647500000000, -0.0000420600000000, -0.0009560200000000 ] - [ 0.0001391500000000, 0.0000014800000000, -0.0008399900000000 ] - [ -0.0001481300000000, -0.0000342900000000, -0.0006971000000000 ] - [ 0.0000763000000000, -0.0000008600000000, -0.0008862100000000 ] - [ -0.0000874200000000, 0.0000990200000000, -0.0009085900000000 ] - [ -0.0000247200000000, -0.0000013200000000, -0.0012615300000000 ] - [ -0.0000636500000000, -0.0000895700000000, -0.0007475600000000 ] - [ 0.0003571500000000, 0.0000145600000000, -0.0011967300000000 ] - [ -0.0001985000000000, -0.0001172800000000, -0.0009158700000000 ] - [ 0.0001801200000000, 0.0000022200000000, -0.0008114800000000 ] - [ -0.0000639200000000, 0.0000894100000000, -0.0007472700000000 ] - [ 0.0004622300000000, -0.0000151700000000, -0.0008947900000000 ] - [ 0.0010999500000000, -0.0000392600000000, -0.0006852200000000 ] - [ 0.0000983400000000, -0.0000024600000000, -0.0011508500000000 ] - [ -0.0000047800000000, -0.0000768800000000, -0.0011526900000000 ] - [ 0.0004408300000000, -0.0002934200000000, 0.0020767200000000 ] - [ 0.0005719300000000, 0.0000033300000000, -0.0001124500000000 ] - [ -0.0002942500000000, -0.0000216400000000, -0.0000135200000000 ] - [ 0.0000241400000000, -0.0000034000000000, -0.0006412500000000 ] - [ -0.0026729500000000, -0.0044213000000000, -0.0063290900000000 ] - [ 0.0006398500000000, -0.0003824000000000, -0.0021109600000000 ] - [ 0.0061340100000000, 0.0006622800000000, -0.0059320800000000 ] - [ 0.0020940100000000, -0.0005427500000000, 0.0015789700000000 ]- atom: 62 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0003316400000000, 0.0000000000000000, 0.0006490900000000 ] - [ 0.0134070500000000, 0.0000000000000000, 0.0017532400000000 ] - [ 0.0016181800000000, 0.0000000000000000, -0.0006024600000000 ] - [ 0.0019431700000000, 0.0000000000000000, -0.0022921500000000 ] - [ 0.0000778000000000, 0.0000000000000000, -0.0000336300000000 ] - [ -0.0000879500000000, 0.0000000000000000, -0.0001866800000000 ] - [ 0.0000448800000000, 0.0000000000000000, 0.0000582900000000 ] - [ 0.0000194700000000, 0.0000000000000000, 0.0000213700000000 ] - [ -0.0002646200000000, 0.0000000000000000, -0.0001653800000000 ] - [ 0.0001847200000000, 0.0000000000000000, -0.0000358100000000 ] - [ -0.0002828900000000, 0.0000000000000000, -0.0008307100000000 ] - [ -0.0026775300000000, 0.0000000000000000, 0.0027499400000000 ] - [ -0.0013402200000000, 0.0000000000000000, -0.0000145800000000 ] - [ -0.0036269400000000, 0.0000000000000000, 0.0015357800000000 ] - [ -0.0000947100000000, 0.0000000000000000, 0.0000816400000000 ] - [ 0.0000803000000000, 0.0000000000000000, 0.0002482600000000 ] - [ -0.0000013900000000, 0.0000000000000000, 0.0000699000000000 ] - [ -0.0000141800000000, 0.0000000000000000, 0.0000187500000000 ] - [ 0.0001766600000000, 0.0000000000000000, 0.0002856300000000 ] - [ 0.0000887900000000, 0.0000000000000000, 0.0000945500000000 ] - [ -0.0037327300000000, 0.0000000000000000, 0.0014222700000000 ] - [ 0.0041940900000000, 0.0000000000000000, -0.0000335800000000 ] - [ 0.0191495400000000, 0.0145238800000000, -0.0092530200000000 ] - [ 0.0090334300000000, 0.0000000000000000, 0.0067729100000000 ] - [ 0.0191495400000000, -0.0145238800000000, -0.0092530200000000 ] - [ -0.0006577000000000, 0.0012724100000000, 0.0016609900000000 ] - [ 0.0000387900000000, 0.0000000000000000, 0.0000643800000000 ] - [ 0.0001399900000000, 0.0000000000000000, -0.0003356700000000 ] - [ -0.0003313600000000, -0.0002013100000000, -0.0013846700000000 ] - [ 0.0000349700000000, 0.0000000000000000, 0.0000358900000000 ] - [ -0.0080974600000000, 0.0000000000000000, -0.0031043300000000 ] - [ -0.0000712600000000, -0.0000088500000000, -0.0000005600000000 ] - [ 0.0001123600000000, 0.0000569800000000, 0.0001180300000000 ] - [ 0.0008251800000000, 0.0000000000000000, 0.0000966700000000 ] - [ 0.0001532600000000, -0.0000143100000000, 0.0000262300000000 ] - [ -0.0002077800000000, 0.0000000000000000, -0.0000224800000000 ] - [ 0.0001532600000000, 0.0000143100000000, 0.0000262300000000 ] - [ -0.0003940600000000, -0.0001887800000000, 0.0002496400000000 ] - [ 0.0005788400000000, -0.0000901400000000, -0.0002900600000000 ] - [ -0.0000125700000000, 0.0000000000000000, 0.0000689300000000 ] - [ -0.0002424800000000, 0.0000000000000000, -0.0010932400000000 ] - [ -0.0013122400000000, 0.0000000000000000, 0.0000163500000000 ] - [ -0.0044255900000000, -0.0000904200000000, -0.0016830400000000 ] - [ -0.0030849200000000, 0.0000000000000000, 0.0000421200000000 ] - [ -0.0044255900000000, 0.0000904200000000, -0.0016830400000000 ] - [ -0.0003313600000000, 0.0002013100000000, -0.0013846700000000 ] - [ -0.0000381300000000, 0.0000000000000000, 0.0001259400000000 ] - [ -0.0001724000000000, 0.0000000000000000, 0.0005956200000000 ] - [ -0.0006577000000000, -0.0012724100000000, 0.0016609900000000 ] - [ 0.0000637100000000, 0.0000000000000000, -0.0000130700000000 ] - [ 0.0028354300000000, 0.0000000000000000, 0.0020963900000000 ] - [ 0.0001123600000000, -0.0000569800000000, 0.0001180300000000 ] - [ -0.0000712600000000, 0.0000088500000000, -0.0000005600000000 ] - [ -0.0007659400000000, 0.0000000000000000, 0.0000807700000000 ] - [ 0.0001245300000000, -0.0000217100000000, 0.0000736100000000 ] - [ 0.0000591200000000, 0.0000000000000000, 0.0001543900000000 ] - [ 0.0001245300000000, 0.0000217100000000, 0.0000736100000000 ] - [ 0.0005788400000000, 0.0000901400000000, -0.0002900600000000 ] - [ -0.0003940600000000, 0.0001887800000000, 0.0002496400000000 ] - [ 0.0001004400000000, 0.0000000000000000, 0.0000523300000000 ] - [ -0.0027349900000000, -0.0027044300000000, 0.0045516000000000 ] - [ -0.0772891700000000, 0.0000000000000000, 0.0090169700000000 ] - [ 0.0017390500000000, 0.0002373700000000, -0.0003176400000000 ] - [ 0.0030219200000000, 0.0000000000000000, -0.0097241200000000 ] - [ 0.0039612600000000, 0.0000000000000000, -0.0005961300000000 ] - [ -0.0015085100000000, -0.0009358600000000, 0.0019797800000000 ] - [ -0.0007895100000000, 0.0000000000000000, -0.0014561700000000 ] - [ 0.0070155500000000, -0.0043353200000000, 0.0009682400000000 ] - [ -0.0002228000000000, 0.0000000000000000, 0.0008471800000000 ] - [ -0.0015085100000000, 0.0009358600000000, 0.0019797800000000 ] - [ 0.0023745900000000, 0.0000000000000000, -0.0052823600000000 ] - [ 0.0070155500000000, 0.0043353200000000, 0.0009682400000000 ] - [ -0.0003429400000000, 0.0000000000000000, 0.0005016700000000 ] - [ 0.0000258300000000, -0.0000986000000000, 0.0000571100000000 ] - [ 0.0008154700000000, 0.0000000000000000, 0.0016839600000000 ] - [ 0.0005532800000000, 0.0001872500000000, 0.0003307500000000 ] - [ 0.0000520200000000, 0.0000000000000000, -0.0000951700000000 ] - [ -0.0000519300000000, 0.0000141700000000, -0.0002590800000000 ] - [ -0.0001989500000000, 0.0000000000000000, -0.0000221800000000 ] - [ -0.0007398800000000, -0.0001989500000000, -0.0004074300000000 ] - [ -0.0000712700000000, 0.0000000000000000, 0.0000131100000000 ] - [ -0.0000298500000000, 0.0000159300000000, -0.0000777000000000 ] - [ -0.0001962200000000, 0.0000000000000000, -0.0001823300000000 ] - [ -0.0000054200000000, -0.0000110200000000, 0.0000634400000000 ] - [ 0.0001520600000000, 0.0000000000000000, -0.0000521200000000 ] - [ -0.0000343900000000, -0.0000158700000000, -0.0000746700000000 ] - [ 0.0000022700000000, 0.0000000000000000, 0.0000071900000000 ] - [ -0.0000054200000000, 0.0000110200000000, 0.0000634400000000 ] - [ 0.0000678100000000, 0.0000000000000000, -0.0000038000000000 ] - [ 0.0000824500000000, -0.0000281300000000, 0.0001251700000000 ] - [ 0.0000187000000000, 0.0000000000000000, -0.0000276700000000 ] - [ 0.0001262400000000, 0.0000541100000000, -0.0000809500000000 ] - [ -0.0000272700000000, 0.0000000000000000, 0.0011481400000000 ] - [ 0.0000824500000000, 0.0000281300000000, 0.0001251700000000 ] - [ -0.0000288400000000, 0.0000000000000000, -0.0000715900000000 ] - [ 0.0000787800000000, -0.0000480100000000, -0.0000502200000000 ] - [ 0.0002610800000000, 0.0000000000000000, -0.0001948600000000 ] - [ 0.0001401500000000, 0.0000000000000000, -0.0000567400000000 ] - [ 0.0005142200000000, 0.0000380500000000, 0.0002345600000000 ] - [ 0.0005142200000000, -0.0000380500000000, 0.0002345600000000 ] - [ 0.0017390500000000, -0.0002373700000000, -0.0003176400000000 ] - [ 0.0036718900000000, 0.0000000000000000, 0.0000800800000000 ] - [ -0.0027349900000000, 0.0027044300000000, 0.0045516000000000 ] - [ 0.0011601500000000, 0.0000000000000000, 0.0012744800000000 ] - [ -0.0060251600000000, 0.0000000000000000, 0.0015035400000000 ] - [ 0.0013559900000000, -0.0003197000000000, -0.0003234300000000 ] - [ 0.0017406500000000, 0.0000000000000000, 0.0014870200000000 ] - [ 0.0084081700000000, -0.0049430300000000, 0.0003190000000000 ] - [ 0.0004199100000000, 0.0000000000000000, -0.0009576400000000 ] - [ 0.0013559900000000, 0.0003197000000000, -0.0003234300000000 ] - [ 0.0010137100000000, 0.0000000000000000, 0.0012517300000000 ] - [ 0.0084081700000000, 0.0049430300000000, 0.0003190000000000 ] - [ 0.0003084000000000, 0.0000000000000000, -0.0004280100000000 ] - [ -0.0000519300000000, -0.0000141700000000, -0.0002590800000000 ] - [ -0.0008178200000000, 0.0000000000000000, -0.0011622200000000 ] - [ -0.0007398800000000, 0.0001989500000000, -0.0004074300000000 ] - [ 0.0000833100000000, 0.0000000000000000, -0.0000081700000000 ] - [ 0.0000258300000000, 0.0000986000000000, 0.0000571100000000 ] - [ 0.0002054700000000, 0.0000000000000000, -0.0000629600000000 ] - [ 0.0005532800000000, -0.0001872500000000, 0.0003307500000000 ] - [ -0.0000789900000000, 0.0000000000000000, -0.0000576700000000 ] - [ -0.0000343900000000, 0.0000158700000000, -0.0000746700000000 ] - [ 0.0000374000000000, 0.0000000000000000, -0.0000651100000000 ] - [ 0.0000648400000000, 0.0000011700000000, 0.0000561300000000 ] - [ 0.0001173500000000, 0.0000000000000000, -0.0001346200000000 ] - [ -0.0000298500000000, -0.0000159300000000, -0.0000777000000000 ] - [ 0.0000329900000000, 0.0000000000000000, -0.0000174200000000 ] - [ 0.0000648400000000, -0.0000011700000000, 0.0000561300000000 ] - [ 0.0000364300000000, 0.0000000000000000, -0.0000566600000000 ] - [ -0.0000480400000000, 0.0000699600000000, -0.0001722500000000 ] - [ 0.0000395600000000, 0.0000000000000000, -0.0000516800000000 ] - [ 0.0000787800000000, 0.0000480100000000, -0.0000502200000000 ] - [ 0.0005058500000000, 0.0000000000000000, -0.0009571000000000 ] - [ -0.0000480400000000, -0.0000699600000000, -0.0001722500000000 ] - [ 0.0003774700000000, 0.0000000000000000, -0.0001747800000000 ] - [ 0.0001262400000000, -0.0000541100000000, -0.0000809500000000 ] - [ -0.0002279000000000, 0.0000000000000000, 0.0006455400000000 ] - [ -0.0001106800000000, 0.0000000000000000, -0.0000804000000000 ] - [ -0.0007654900000000, 0.0002565800000000, -0.0003938300000000 ] - [ -0.0007654900000000, -0.0002565800000000, -0.0003938300000000 ]- atom: 62 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0002705300000000, 0.0000000000000000, -0.0008016600000000 ] - [ -0.0123879500000000, 0.0000000000000000, -0.0009900300000000 ] - [ -0.0017219400000000, 0.0000000000000000, 0.0005762200000000 ] - [ -0.0021734100000000, 0.0000000000000000, 0.0023983300000000 ] - [ -0.0000922400000000, 0.0000000000000000, 0.0000016800000000 ] - [ 0.0001554400000000, 0.0000000000000000, 0.0001788700000000 ] - [ -0.0000007700000000, 0.0000000000000000, -0.0000211500000000 ] - [ -0.0000162000000000, 0.0000000000000000, -0.0000829700000000 ] - [ 0.0002214500000000, 0.0000000000000000, 0.0000890200000000 ] - [ 0.0000594600000000, 0.0000000000000000, -0.0000076900000000 ] - [ 0.0003506100000000, 0.0000000000000000, 0.0006731300000000 ] - [ 0.0025255300000000, 0.0000000000000000, -0.0028004800000000 ] - [ 0.0012211800000000, 0.0000000000000000, 0.0000009100000000 ] - [ 0.0034173100000000, 0.0000000000000000, -0.0014287900000000 ] - [ 0.0000806900000000, 0.0000000000000000, -0.0001124900000000 ] - [ -0.0000081500000000, 0.0000000000000000, -0.0002563700000000 ] - [ 0.0000454200000000, 0.0000000000000000, -0.0000327500000000 ] - [ 0.0000172100000000, 0.0000000000000000, -0.0000803100000000 ] - [ -0.0002236500000000, 0.0000000000000000, -0.0003612700000000 ] - [ 0.0001554200000000, 0.0000000000000000, -0.0001387200000000 ] - [ 0.0038489200000000, 0.0000000000000000, -0.0014593700000000 ] - [ -0.0040455700000000, 0.0000000000000000, 0.0000374500000000 ] - [ -0.0191490400000000, -0.0152253600000000, 0.0095355500000000 ] - [ -0.0092354500000000, 0.0000000000000000, -0.0062370400000000 ] - [ -0.0191490400000000, 0.0152253600000000, 0.0095355500000000 ] - [ 0.0005947000000000, -0.0010945300000000, -0.0016765800000000 ] - [ -0.0000410600000000, 0.0000000000000000, -0.0000251100000000 ] - [ -0.0002288600000000, 0.0000000000000000, 0.0003846300000000 ] - [ 0.0002401200000000, 0.0000244000000000, 0.0013644600000000 ] - [ 0.0000711400000000, 0.0000000000000000, -0.0001603800000000 ] - [ 0.0078005900000000, 0.0000000000000000, 0.0031425900000000 ] - [ 0.0001151600000000, -0.0000736100000000, -0.0000232100000000 ] - [ -0.0000664400000000, 0.0000255900000000, -0.0001428500000000 ] - [ -0.0009491400000000, 0.0000000000000000, -0.0000429000000000 ] - [ 0.0001182900000000, -0.0000141700000000, -0.0000638800000000 ] - [ 0.0001318400000000, 0.0000000000000000, 0.0000091700000000 ] - [ 0.0001182900000000, 0.0000141700000000, -0.0000638800000000 ] - [ 0.0004417900000000, 0.0002125000000000, -0.0003365500000000 ] - [ -0.0005316100000000, 0.0000661000000000, 0.0002078200000000 ] - [ 0.0001039400000000, 0.0000000000000000, -0.0000978100000000 ] - [ 0.0003845400000000, 0.0000000000000000, 0.0010640600000000 ] - [ 0.0014723500000000, 0.0000000000000000, -0.0000271100000000 ] - [ 0.0044526600000000, -0.0002112000000000, 0.0016434100000000 ] - [ 0.0027715200000000, 0.0000000000000000, 0.0000981600000000 ] - [ 0.0044526600000000, 0.0002112000000000, 0.0016434100000000 ] - [ 0.0002401200000000, -0.0000244000000000, 0.0013644600000000 ] - [ 0.0000363500000000, 0.0000000000000000, -0.0000861300000000 ] - [ 0.0000855000000000, 0.0000000000000000, -0.0005399500000000 ] - [ 0.0005947000000000, 0.0010945300000000, -0.0016765800000000 ] - [ 0.0000427200000000, 0.0000000000000000, -0.0001122300000000 ] - [ -0.0031380600000000, 0.0000000000000000, -0.0020783600000000 ] - [ -0.0000664400000000, -0.0000255900000000, -0.0001428500000000 ] - [ 0.0001151600000000, 0.0000736100000000, -0.0000232100000000 ] - [ 0.0006369800000000, 0.0000000000000000, -0.0000187900000000 ] - [ 0.0001476200000000, -0.0000067500000000, -0.0001120200000000 ] - [ -0.0001370900000000, 0.0000000000000000, -0.0001671900000000 ] - [ 0.0001476200000000, 0.0000067500000000, -0.0001120200000000 ] - [ -0.0005316100000000, -0.0000661000000000, 0.0002078200000000 ] - [ 0.0004417900000000, -0.0002125000000000, -0.0003365500000000 ] - [ -0.0000103500000000, 0.0000000000000000, -0.0000803400000000 ] - [ 0.0026573800000000, 0.0029776400000000, -0.0045706500000000 ] - [ 0.0758466400000000, 0.0000000000000000, -0.0106383000000000 ] - [ -0.0017882600000000, -0.0005044800000000, 0.0003168800000000 ] - [ -0.0030888800000000, 0.0000000000000000, 0.0097940600000000 ] - [ -0.0041081000000000, 0.0000000000000000, 0.0005180700000000 ] - [ 0.0014030900000000, 0.0008991400000000, -0.0018704200000000 ] - [ 0.0009577500000000, 0.0000000000000000, 0.0012101500000000 ] - [ -0.0071925600000000, 0.0044024500000000, -0.0010013500000000 ] - [ -0.0000760300000000, 0.0000000000000000, -0.0006785900000000 ] - [ 0.0014030900000000, -0.0008991400000000, -0.0018704200000000 ] - [ -0.0024738300000000, 0.0000000000000000, 0.0052748500000000 ] - [ -0.0071925600000000, -0.0044024500000000, -0.0010013500000000 ] - [ 0.0002874800000000, 0.0000000000000000, -0.0005598300000000 ] - [ -0.0000448800000000, -0.0000234000000000, -0.0001918800000000 ] - [ -0.0008520400000000, 0.0000000000000000, -0.0017951600000000 ] - [ -0.0005345100000000, 0.0000337700000000, -0.0002994300000000 ] - [ 0.0000749100000000, 0.0000000000000000, 0.0001239900000000 ] - [ 0.0000312300000000, 0.0001076100000000, 0.0001221000000000 ] - [ 0.0001631300000000, 0.0000000000000000, 0.0000757200000000 ] - [ 0.0007522100000000, -0.0000211600000000, 0.0004417600000000 ] - [ -0.0000980100000000, 0.0000000000000000, 0.0000248100000000 ] - [ -0.0000252100000000, 0.0000127200000000, 0.0000087200000000 ] - [ 0.0000376900000000, 0.0000000000000000, 0.0000252600000000 ] - [ 0.0000790800000000, 0.0000147400000000, 0.0001423800000000 ] - [ 0.0001087400000000, 0.0000000000000000, -0.0000091500000000 ] - [ -0.0000200100000000, -0.0000125800000000, 0.0000056300000000 ] - [ 0.0000210400000000, 0.0000000000000000, 0.0000744100000000 ] - [ 0.0000790800000000, -0.0000147400000000, 0.0001423800000000 ] - [ 0.0000139600000000, 0.0000000000000000, 0.0000244500000000 ] - [ -0.0000446500000000, 0.0000640700000000, -0.0001252200000000 ] - [ 0.0000322900000000, 0.0000000000000000, 0.0000635200000000 ] - [ 0.0000971700000000, 0.0000636800000000, 0.0000390000000000 ] - [ -0.0000087900000000, 0.0000000000000000, -0.0009011700000000 ] - [ -0.0000446500000000, -0.0000640700000000, -0.0001252200000000 ] - [ 0.0003516200000000, 0.0000000000000000, -0.0000086900000000 ] - [ 0.0001441900000000, -0.0000706300000000, 0.0000081800000000 ] - [ -0.0002799100000000, 0.0000000000000000, 0.0004208500000000 ] - [ -0.0001041700000000, 0.0000000000000000, 0.0000377000000000 ] - [ -0.0004169500000000, 0.0000141500000000, -0.0001727400000000 ] - [ -0.0004169500000000, -0.0000141500000000, -0.0001727400000000 ] - [ -0.0017882600000000, 0.0005044800000000, 0.0003168800000000 ] - [ -0.0038690000000000, 0.0000000000000000, 0.0002001200000000 ] - [ 0.0026573800000000, -0.0029776400000000, -0.0045706500000000 ] - [ -0.0012294700000000, 0.0000000000000000, -0.0012801500000000 ] - [ 0.0058695000000000, 0.0000000000000000, -0.0015789100000000 ] - [ -0.0014824100000000, 0.0003010000000000, 0.0004035900000000 ] - [ -0.0015910800000000, 0.0000000000000000, -0.0017115300000000 ] - [ -0.0084362600000000, 0.0048779300000000, -0.0003465700000000 ] - [ -0.0007232200000000, 0.0000000000000000, 0.0011125800000000 ] - [ -0.0014824100000000, -0.0003010000000000, 0.0004035900000000 ] - [ -0.0010927600000000, 0.0000000000000000, -0.0012439000000000 ] - [ -0.0084362600000000, -0.0048779300000000, -0.0003465700000000 ] - [ -0.0003690200000000, 0.0000000000000000, 0.0003647000000000 ] - [ 0.0000312300000000, -0.0001076100000000, 0.0001221000000000 ] - [ 0.0007663900000000, 0.0000000000000000, 0.0010574900000000 ] - [ 0.0007522100000000, 0.0000211600000000, 0.0004417600000000 ] - [ 0.0000441100000000, 0.0000000000000000, 0.0000374300000000 ] - [ -0.0000448800000000, 0.0000234000000000, -0.0001918800000000 ] - [ -0.0002389000000000, 0.0000000000000000, 0.0001151200000000 ] - [ -0.0005345100000000, -0.0000337700000000, -0.0002994300000000 ] - [ -0.0000907500000000, 0.0000000000000000, 0.0000955600000000 ] - [ -0.0000200100000000, 0.0000125800000000, 0.0000056300000000 ] - [ -0.0001945300000000, 0.0000000000000000, -0.0000940200000000 ] - [ 0.0000093000000000, 0.0000015100000000, 0.0001496400000000 ] - [ 0.0001439300000000, 0.0000000000000000, 0.0000734300000000 ] - [ -0.0000252100000000, -0.0000127200000000, 0.0000087200000000 ] - [ -0.0000103800000000, 0.0000000000000000, 0.0000983900000000 ] - [ 0.0000093000000000, -0.0000015100000000, 0.0001496400000000 ] - [ 0.0000459800000000, 0.0000000000000000, 0.0000770800000000 ] - [ 0.0000874300000000, -0.0000340600000000, 0.0001731500000000 ] - [ 0.0000120000000000, 0.0000000000000000, 0.0000878000000000 ] - [ 0.0001441900000000, 0.0000706300000000, 0.0000081800000000 ] - [ -0.0005392200000000, 0.0000000000000000, 0.0012102400000000 ] - [ 0.0000874300000000, 0.0000340600000000, 0.0001731500000000 ] - [ -0.0000556600000000, 0.0000000000000000, 0.0000958500000000 ] - [ 0.0000971700000000, -0.0000636800000000, 0.0000390000000000 ] - [ 0.0002053200000000, 0.0000000000000000, -0.0004240600000000 ] - [ 0.0001469600000000, 0.0000000000000000, 0.0000593700000000 ] - [ 0.0008656800000000, -0.0002054000000000, 0.0004529300000000 ] - [ 0.0008656800000000, 0.0002054000000000, 0.0004529300000000 ]- atom: 62 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000326200000000, -0.0002789700000000, -0.0000786400000000 ] - [ -0.0001095600000000, 0.0079536000000000, -0.0000260100000000 ] - [ -0.0000566900000000, -0.0012866500000000, -0.0000081700000000 ] - [ -0.0000867300000000, -0.0038013700000000, 0.0000571800000000 ] - [ -0.0000075500000000, -0.0000102700000000, -0.0000160000000000 ] - [ 0.0000351100000000, -0.0000215000000000, -0.0000035100000000 ] - [ 0.0000225600000000, 0.0000014600000000, 0.0000189600000000 ] - [ 0.0000016500000000, 0.0000000100000000, -0.0000305400000000 ] - [ -0.0000240500000000, 0.0000226300000000, -0.0000379600000000 ] - [ 0.0001221700000000, 0.0000188300000000, -0.0000216600000000 ] - [ 0.0000316100000000, 0.0001943000000000, -0.0000774600000000 ] - [ -0.0000740400000000, -0.0023653500000000, -0.0000170900000000 ] - [ -0.0000579200000000, 0.0000257500000000, -0.0000080100000000 ] - [ -0.0000920200000000, 0.0011771400000000, 0.0000478800000000 ] - [ -0.0000066900000000, -0.0000042200000000, -0.0000157100000000 ] - [ 0.0000358800000000, -0.0000433400000000, -0.0000043000000000 ] - [ 0.0000222300000000, 0.0000013000000000, 0.0000189800000000 ] - [ 0.0000016900000000, -0.0000002400000000, -0.0000306900000000 ] - [ -0.0000235400000000, 0.0001640200000000, -0.0000373900000000 ] - [ 0.0001222900000000, 0.0000145100000000, -0.0000215800000000 ] - [ 0.0000553700000000, -0.0000900700000000, -0.0000166700000000 ] - [ 0.0000861200000000, 0.0033370800000000, 0.0000010900000000 ] - [ 0.0135076300000000, 0.0250767900000000, -0.0138974800000000 ] - [ -0.0001649200000000, 0.0070377400000000, 0.0002732800000000 ] - [ -0.0144032300000000, 0.0266530700000000, 0.0149556400000000 ] - [ -0.0000033800000000, 0.0001440700000000, -0.0000517700000000 ] - [ -0.0000026100000000, 0.0000013700000000, 0.0000187100000000 ] - [ -0.0000436100000000, 0.0000770500000000, 0.0000273500000000 ] - [ -0.0013077900000000, 0.0000684300000000, -0.0009320800000000 ] - [ 0.0000540300000000, -0.0000007200000000, -0.0000614900000000 ] - [ -0.0001761600000000, 0.0050299800000000, 0.0000064000000000 ] - [ 0.0000333200000000, -0.0000405600000000, -0.0000048300000000 ] - [ 0.0000179500000000, 0.0000414700000000, -0.0000173700000000 ] - [ -0.0000661100000000, 0.0001522600000000, 0.0000267300000000 ] - [ 0.0001339000000000, -0.0000148200000000, -0.0000203700000000 ] - [ -0.0000367900000000, -0.0000438300000000, -0.0000065300000000 ] - [ 0.0001372200000000, 0.0000145900000000, -0.0000166000000000 ] - [ 0.0000118700000000, 0.0000089200000000, -0.0000333000000000 ] - [ 0.0001858000000000, -0.0000123500000000, 0.0001766300000000 ] - [ 0.0000438900000000, 0.0000004000000000, -0.0000159200000000 ] - [ 0.0000643700000000, -0.0054611400000000, -0.0000190400000000 ] - [ 0.0000789000000000, -0.0001120900000000, -0.0000019800000000 ] - [ -0.0009008600000000, -0.0001020400000000, -0.0008373000000000 ] - [ -0.0001537700000000, -0.0004111800000000, 0.0000653300000000 ] - [ 0.0009320100000000, 0.0002031200000000, 0.0008078200000000 ] - [ 0.0012326500000000, 0.0002481500000000, 0.0009140700000000 ] - [ -0.0000022000000000, 0.0000022700000000, 0.0000187300000000 ] - [ -0.0000420100000000, 0.0000143400000000, 0.0000269800000000 ] - [ -0.0000603300000000, -0.0000202000000000, 0.0000307400000000 ] - [ 0.0000543600000000, 0.0000003300000000, -0.0000619200000000 ] - [ -0.0002136600000000, -0.0061147300000000, 0.0000172600000000 ] - [ 0.0000272700000000, -0.0000412500000000, -0.0000085200000000 ] - [ 0.0000120200000000, 0.0000419800000000, -0.0000192800000000 ] - [ -0.0000646000000000, 0.0000107200000000, 0.0000296900000000 ] - [ 0.0001349700000000, -0.0000147600000000, -0.0000194200000000 ] - [ -0.0000363100000000, -0.0000453100000000, -0.0000059900000000 ] - [ 0.0001366000000000, 0.0000150100000000, -0.0000180500000000 ] - [ -0.0001368600000000, 0.0000096800000000, -0.0002617800000000 ] - [ 0.0000352900000000, -0.0000126600000000, -0.0000507900000000 ] - [ 0.0000434600000000, -0.0000044100000000, -0.0000157700000000 ] - [ -0.0042880000000000, 0.0033097200000000, -0.0092053400000000 ] - [ 0.0008961600000000, -0.0944970400000000, -0.0011633000000000 ] - [ 0.0001529100000000, -0.0001336100000000, -0.0003042300000000 ] - [ -0.0000265800000000, -0.0054318400000000, -0.0000164200000000 ] - [ -0.0000747400000000, -0.0010683400000000, -0.0000369900000000 ] - [ -0.0019077500000000, 0.0020114000000000, -0.0035763700000000 ] - [ 0.0000858200000000, 0.0015991400000000, -0.0001285200000000 ] - [ -0.0070353700000000, 0.0021220700000000, -0.0014731200000000 ] - [ -0.0001499400000000, 0.0007009200000000, 0.0000811000000000 ] - [ 0.0017792800000000, 0.0020435600000000, 0.0036459200000000 ] - [ -0.0000622100000000, -0.0014476500000000, 0.0000273000000000 ] - [ 0.0068582400000000, 0.0021334300000000, 0.0014263700000000 ] - [ -0.0000290400000000, -0.0004331100000000, -0.0000317400000000 ] - [ -0.0000306900000000, -0.0000449900000000, -0.0001000000000000 ] - [ -0.0000219300000000, -0.0007689100000000, -0.0000518600000000 ] - [ -0.0000221500000000, 0.0001065600000000, -0.0000022200000000 ] - [ 0.0000640600000000, 0.0000015000000000, 0.0000167800000000 ] - [ -0.0000172100000000, 0.0000584000000000, -0.0000588200000000 ] - [ -0.0000146100000000, -0.0000044400000000, 0.0000259000000000 ] - [ -0.0001745400000000, -0.0001139500000000, 0.0001253500000000 ] - [ -0.0000872300000000, -0.0000044200000000, 0.0000185700000000 ] - [ -0.0000290900000000, 0.0000173600000000, -0.0000363800000000 ] - [ -0.0000796900000000, 0.0000005400000000, -0.0000816200000000 ] - [ 0.0000395300000000, 0.0000056400000000, 0.0001022600000000 ] - [ 0.0001311500000000, 0.0000063100000000, -0.0000284400000000 ] - [ -0.0000286200000000, -0.0000172800000000, -0.0000355800000000 ] - [ 0.0000143000000000, 0.0000001900000000, 0.0000401300000000 ] - [ 0.0000367500000000, -0.0000056000000000, 0.0001039900000000 ] - [ 0.0000371400000000, -0.0000060300000000, 0.0000105300000000 ] - [ -0.0000128800000000, 0.0000336200000000, -0.0000551400000000 ] - [ 0.0000246800000000, -0.0000002500000000, 0.0000146500000000 ] - [ 0.0001162300000000, 0.0000631000000000, -0.0000224400000000 ] - [ -0.0000150100000000, 0.0006705200000000, 0.0001265100000000 ] - [ 0.0000528100000000, -0.0000081000000000, 0.0000531600000000 ] - [ 0.0001609100000000, 0.0000234000000000, -0.0000401100000000 ] - [ 0.0001122900000000, -0.0000646300000000, -0.0000163100000000 ] - [ -0.0000102200000000, 0.0000348200000000, 0.0001131300000000 ] - [ 0.0000160900000000, 0.0000062500000000, -0.0000116000000000 ] - [ 0.0000506500000000, 0.0000288600000000, 0.0000650700000000 ] - [ 0.0000457400000000, -0.0000270600000000, -0.0000032100000000 ] - [ -0.0002013000000000, 0.0001259400000000, 0.0003049400000000 ] - [ -0.0001043500000000, 0.0012063300000000, 0.0001387200000000 ] - [ 0.0042787000000000, 0.0030230000000000, 0.0092699700000000 ] - [ -0.0000327600000000, 0.0008512800000000, -0.0000063600000000 ] - [ -0.0000665300000000, 0.0232943500000000, -0.0000589400000000 ] - [ -0.0001010300000000, -0.0000379500000000, 0.0002841400000000 ] - [ 0.0000766800000000, -0.0008846300000000, -0.0001179200000000 ] - [ -0.0050931200000000, 0.0017263900000000, -0.0000354400000000 ] - [ -0.0001528400000000, 0.0000201200000000, 0.0000830400000000 ] - [ -0.0000304900000000, -0.0000245100000000, -0.0002015800000000 ] - [ -0.0000440100000000, 0.0009776600000000, 0.0000072300000000 ] - [ 0.0050135500000000, 0.0017108500000000, 0.0000103300000000 ] - [ -0.0000300900000000, 0.0000194500000000, -0.0000315700000000 ] - [ -0.0000058700000000, -0.0000576100000000, -0.0000803100000000 ] - [ -0.0000188400000000, 0.0003803200000000, -0.0000563000000000 ] - [ 0.0001931300000000, 0.0001069900000000, -0.0000890100000000 ] - [ 0.0000643700000000, 0.0000063900000000, 0.0000171200000000 ] - [ 0.0000075000000000, 0.0000696600000000, -0.0000385600000000 ] - [ -0.0000150400000000, 0.0000056900000000, 0.0000260400000000 ] - [ 0.0000390200000000, -0.0001180600000000, 0.0000349600000000 ] - [ -0.0000875700000000, -0.0000012900000000, 0.0000186900000000 ] - [ -0.0000287400000000, 0.0000173500000000, -0.0000363300000000 ] - [ -0.0000791700000000, -0.0000058100000000, -0.0000820900000000 ] - [ 0.0000387100000000, 0.0000043600000000, 0.0001025600000000 ] - [ 0.0001310800000000, 0.0000021700000000, -0.0000285500000000 ] - [ -0.0000288400000000, -0.0000172800000000, -0.0000351400000000 ] - [ 0.0000138300000000, 0.0000004400000000, 0.0000396200000000 ] - [ 0.0000381300000000, -0.0000048500000000, 0.0001040600000000 ] - [ 0.0000376500000000, -0.0000023700000000, 0.0000102700000000 ] - [ 0.0000467600000000, 0.0000206000000000, -0.0000337500000000 ] - [ 0.0000253100000000, -0.0000004100000000, 0.0000149500000000 ] - [ 0.0001149000000000, 0.0000632000000000, -0.0000235500000000 ] - [ -0.0000136500000000, 0.0000175200000000, 0.0001240000000000 ] - [ -0.0000075000000000, -0.0000215100000000, 0.0000308200000000 ] - [ 0.0001614800000000, -0.0000081200000000, -0.0000402600000000 ] - [ 0.0001119600000000, -0.0000635400000000, -0.0000179700000000 ] - [ -0.0000099400000000, -0.0006191500000000, 0.0001154100000000 ] - [ 0.0000155800000000, -0.0000272200000000, -0.0000116700000000 ] - [ 0.0003356100000000, -0.0000034800000000, -0.0003763600000000 ] - [ -0.0002423400000000, -0.0000607000000000, 0.0004373700000000 ]- atom: 62 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0013405700000000, 0.0000000000000000, -0.0004323200000000 ] - [ 0.0054216100000000, 0.0000000000000000, 0.0150473800000000 ] - [ 0.0031540100000000, 0.0000000000000000, -0.0023617500000000 ] - [ -0.0020953000000000, 0.0000000000000000, 0.0067122000000000 ] - [ -0.0000068800000000, 0.0000000000000000, -0.0012822800000000 ] - [ -0.0005634200000000, 0.0000000000000000, -0.0011561400000000 ] - [ 0.0000313500000000, 0.0000000000000000, -0.0011989900000000 ] - [ -0.0000321200000000, 0.0000000000000000, -0.0014187800000000 ] - [ -0.0009755200000000, 0.0000000000000000, -0.0010260900000000 ] - [ 0.0000126500000000, 0.0000000000000000, -0.0015232700000000 ] - [ -0.0010678400000000, 0.0000000000000000, -0.0000326800000000 ] - [ 0.0004365400000000, 0.0000000000000000, 0.0032677200000000 ] - [ -0.0001569700000000, 0.0000000000000000, 0.0003265300000000 ] - [ 0.0018228700000000, 0.0000000000000000, 0.0045154800000000 ] - [ 0.0000544700000000, 0.0000000000000000, -0.0011257700000000 ] - [ 0.0005254400000000, 0.0000000000000000, -0.0013525300000000 ] - [ -0.0000252500000000, 0.0000000000000000, -0.0011424000000000 ] - [ -0.0000591300000000, 0.0000000000000000, -0.0013763700000000 ] - [ 0.0004580700000000, 0.0000000000000000, -0.0015548500000000 ] - [ 0.0001420900000000, 0.0000000000000000, -0.0013303100000000 ] - [ 0.0052729200000000, 0.0000000000000000, 0.0000152500000000 ] - [ 0.0006874500000000, 0.0000000000000000, -0.0059441700000000 ] - [ -0.0055300000000000, -0.0127805100000000, 0.0228112900000000 ] - [ 0.0058269000000000, 0.0000000000000000, 0.0786774300000000 ] - [ -0.0055300000000000, 0.0127805100000000, 0.0228112900000000 ] - [ 0.0022805800000000, -0.0026534900000000, -0.0010937700000000 ] - [ 0.0000264800000000, 0.0000000000000000, -0.0019986700000000 ] - [ -0.0001129100000000, 0.0000000000000000, -0.0027183200000000 ] - [ -0.0049655900000000, 0.0004949100000000, -0.0017118500000000 ] - [ 0.0001144900000000, 0.0000000000000000, -0.0020200400000000 ] - [ -0.0029426200000000, 0.0000000000000000, 0.0053905800000000 ] - [ -0.0002348700000000, -0.0000209700000000, -0.0017961000000000 ] - [ 0.0001194300000000, -0.0000102600000000, -0.0019530500000000 ] - [ 0.0002952300000000, 0.0000000000000000, -0.0031838700000000 ] - [ 0.0000572900000000, 0.0000948900000000, -0.0019167600000000 ] - [ -0.0003648600000000, 0.0000000000000000, -0.0019147600000000 ] - [ 0.0000572900000000, -0.0000948900000000, -0.0019167600000000 ] - [ 0.0002969000000000, 0.0004092300000000, -0.0012742300000000 ] - [ 0.0000047700000000, -0.0003476300000000, -0.0027696700000000 ] - [ 0.0000452900000000, 0.0000000000000000, -0.0017599800000000 ] - [ -0.0049974700000000, 0.0000000000000000, -0.0008681800000000 ] - [ -0.0002969200000000, 0.0000000000000000, 0.0001362200000000 ] - [ -0.0006514500000000, -0.0000438800000000, 0.0044474000000000 ] - [ -0.0010417500000000, 0.0000000000000000, 0.0042720200000000 ] - [ -0.0006514500000000, 0.0000438800000000, 0.0044474000000000 ] - [ -0.0049655900000000, -0.0004949100000000, -0.0017118500000000 ] - [ 0.0000908800000000, 0.0000000000000000, -0.0019030800000000 ] - [ 0.0001252100000000, 0.0000000000000000, -0.0017848100000000 ] - [ 0.0022805800000000, 0.0026534900000000, -0.0010937700000000 ] - [ 0.0001082700000000, 0.0000000000000000, -0.0020559700000000 ] - [ 0.0007046600000000, 0.0000000000000000, 0.0067888000000000 ] - [ 0.0001194300000000, 0.0000102600000000, -0.0019530500000000 ] - [ -0.0002348700000000, 0.0000209700000000, -0.0017961000000000 ] - [ -0.0002910300000000, 0.0000000000000000, -0.0011459900000000 ] - [ 0.0001359300000000, 0.0000745800000000, -0.0018543700000000 ] - [ 0.0003991400000000, 0.0000000000000000, -0.0020535900000000 ] - [ 0.0001359300000000, -0.0000745800000000, -0.0018543700000000 ] - [ 0.0000047700000000, 0.0003476300000000, -0.0027696700000000 ] - [ 0.0002969000000000, -0.0004092300000000, -0.0012742300000000 ] - [ 0.0001668200000000, 0.0000000000000000, -0.0021565100000000 ] - [ 0.0061008400000000, -0.0092717800000000, 0.0104509500000000 ] - [ -0.0010131300000000, 0.0000000000000000, -0.1649753300000000 ] - [ -0.0009418000000000, -0.0007711600000000, -0.0016302800000000 ] - [ -0.0119741400000000, 0.0000000000000000, 0.0087953000000000 ] - [ 0.0007078300000000, 0.0000000000000000, -0.0027527100000000 ] - [ 0.0044687300000000, -0.0060206700000000, 0.0059178800000000 ] - [ -0.0014590300000000, 0.0000000000000000, -0.0026584300000000 ] - [ -0.0003109800000000, -0.0010446700000000, -0.0059399000000000 ] - [ 0.0009115600000000, 0.0000000000000000, 0.0036270400000000 ] - [ 0.0044687300000000, 0.0060206700000000, 0.0059178800000000 ] - [ -0.0088109100000000, 0.0000000000000000, 0.0055873000000000 ] - [ -0.0003109800000000, 0.0010446700000000, -0.0059399000000000 ] - [ 0.0006628500000000, 0.0000000000000000, 0.0016062900000000 ] - [ 0.0003947600000000, -0.0002914400000000, 0.0012432200000000 ] - [ 0.0017870000000000, 0.0000000000000000, -0.0023790700000000 ] - [ 0.0005307000000000, 0.0001512400000000, 0.0004154200000000 ] - [ -0.0000540500000000, 0.0000000000000000, 0.0016541400000000 ] - [ -0.0000341500000000, 0.0001847700000000, 0.0009888200000000 ] - [ -0.0004046300000000, 0.0000000000000000, 0.0014324300000000 ] - [ -0.0006150900000000, 0.0002094200000000, 0.0014255600000000 ] - [ -0.0002315900000000, 0.0000000000000000, 0.0011990300000000 ] - [ 0.0001304900000000, -0.0001153300000000, 0.0011116000000000 ] - [ -0.0002110300000000, 0.0000000000000000, 0.0016927600000000 ] - [ 0.0001950700000000, 0.0001253100000000, 0.0012940800000000 ] - [ 0.0001108700000000, 0.0000000000000000, 0.0016503600000000 ] - [ 0.0001216800000000, 0.0001149400000000, 0.0011129900000000 ] - [ -0.0002015700000000, 0.0000000000000000, 0.0012582200000000 ] - [ 0.0001950700000000, -0.0001253100000000, 0.0012940800000000 ] - [ -0.0000783400000000, 0.0000000000000000, 0.0011858700000000 ] - [ 0.0005024400000000, -0.0002023300000000, 0.0013331300000000 ] - [ -0.0000321100000000, 0.0000000000000000, 0.0016747400000000 ] - [ 0.0002268200000000, 0.0001549000000000, 0.0010446500000000 ] - [ 0.0008656400000000, 0.0000000000000000, 0.0033817500000000 ] - [ 0.0005024400000000, 0.0002023300000000, 0.0013331300000000 ] - [ -0.0001942400000000, 0.0000000000000000, 0.0014468400000000 ] - [ 0.0002795500000000, -0.0001871600000000, 0.0011943800000000 ] - [ -0.0004703400000000, 0.0000000000000000, 0.0004079900000000 ] - [ 0.0000238000000000, 0.0000000000000000, 0.0011866600000000 ] - [ 0.0004270200000000, 0.0000830100000000, 0.0002677100000000 ] - [ 0.0004270200000000, -0.0000830100000000, 0.0002677100000000 ] - [ -0.0009418000000000, 0.0007711600000000, -0.0016302800000000 ] - [ 0.0003865100000000, 0.0000000000000000, -0.0036845600000000 ] - [ 0.0061008400000000, 0.0092717800000000, 0.0104509500000000 ] - [ 0.0028906000000000, 0.0000000000000000, -0.0021449700000000 ] - [ 0.0006224400000000, 0.0000000000000000, -0.0082117400000000 ] - [ -0.0010181500000000, 0.0006396500000000, -0.0017383500000000 ] - [ 0.0020720100000000, 0.0000000000000000, -0.0021116800000000 ] - [ 0.0001394900000000, -0.0004860500000000, -0.0047307200000000 ] - [ -0.0011754600000000, 0.0000000000000000, 0.0016647400000000 ] - [ -0.0010181500000000, -0.0006396500000000, -0.0017383500000000 ] - [ 0.0028365400000000, 0.0000000000000000, -0.0020991900000000 ] - [ 0.0001394900000000, 0.0004860500000000, -0.0047307200000000 ] - [ -0.0004851300000000, 0.0000000000000000, 0.0002852800000000 ] - [ -0.0000341500000000, -0.0001847700000000, 0.0009888200000000 ] - [ -0.0012416200000000, 0.0000000000000000, -0.0026654800000000 ] - [ -0.0006150900000000, -0.0002094200000000, 0.0014255600000000 ] - [ 0.0000423800000000, 0.0000000000000000, 0.0016985000000000 ] - [ 0.0003947600000000, 0.0002914400000000, 0.0012432200000000 ] - [ -0.0001868600000000, 0.0000000000000000, 0.0010643900000000 ] - [ 0.0005307000000000, -0.0001512400000000, 0.0004154200000000 ] - [ -0.0003455600000000, 0.0000000000000000, 0.0012067000000000 ] - [ 0.0001216800000000, -0.0001149400000000, 0.0011129900000000 ] - [ -0.0000622200000000, 0.0000000000000000, 0.0011718000000000 ] - [ 0.0001663100000000, 0.0001046800000000, 0.0011888400000000 ] - [ 0.0000060000000000, 0.0000000000000000, 0.0016162800000000 ] - [ 0.0001304900000000, 0.0001153300000000, 0.0011116000000000 ] - [ -0.0002160000000000, 0.0000000000000000, 0.0012058300000000 ] - [ 0.0001663100000000, -0.0001046800000000, 0.0011888400000000 ] - [ -0.0002427600000000, 0.0000000000000000, 0.0012041900000000 ] - [ -0.0001073500000000, -0.0001275800000000, 0.0010579200000000 ] - [ -0.0000565800000000, 0.0000000000000000, 0.0016018200000000 ] - [ 0.0002795500000000, 0.0001871600000000, 0.0011943800000000 ] - [ -0.0010529200000000, 0.0000000000000000, 0.0016870700000000 ] - [ -0.0001073500000000, 0.0001275800000000, 0.0010579200000000 ] - [ -0.0000277400000000, 0.0000000000000000, 0.0009252100000000 ] - [ 0.0002268200000000, -0.0001549000000000, 0.0010446500000000 ] - [ 0.0006731700000000, 0.0000000000000000, 0.0019222400000000 ] - [ -0.0001224000000000, 0.0000000000000000, 0.0018900000000000 ] - [ -0.0004105000000000, -0.0002229100000000, 0.0018158300000000 ] - [ -0.0004105000000000, 0.0002229100000000, 0.0018158300000000 ]- atom: 62 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0012749600000000, 0.0000000000000000, 0.0002896600000000 ] - [ -0.0048718100000000, 0.0000000000000000, -0.0147383300000000 ] - [ -0.0032915300000000, 0.0000000000000000, 0.0023537500000000 ] - [ 0.0019111900000000, 0.0000000000000000, -0.0066984500000000 ] - [ -0.0000075600000000, 0.0000000000000000, 0.0012547100000000 ] - [ 0.0006376000000000, 0.0000000000000000, 0.0011506400000000 ] - [ 0.0000131400000000, 0.0000000000000000, 0.0012401900000000 ] - [ 0.0000351900000000, 0.0000000000000000, 0.0013613800000000 ] - [ 0.0009283300000000, 0.0000000000000000, 0.0009537800000000 ] - [ 0.0002313200000000, 0.0000000000000000, 0.0014831200000000 ] - [ 0.0011287400000000, 0.0000000000000000, -0.0001155800000000 ] - [ -0.0006024100000000, 0.0000000000000000, -0.0032792900000000 ] - [ 0.0000376900000000, 0.0000000000000000, -0.0003512400000000 ] - [ -0.0020267500000000, 0.0000000000000000, -0.0044646500000000 ] - [ -0.0000691700000000, 0.0000000000000000, 0.0010976000000000 ] - [ -0.0004583300000000, 0.0000000000000000, 0.0013486600000000 ] - [ 0.0000690100000000, 0.0000000000000000, 0.0011837000000000 ] - [ 0.0000627200000000, 0.0000000000000000, 0.0013186400000000 ] - [ -0.0005028200000000, 0.0000000000000000, 0.0014838200000000 ] - [ 0.0001019800000000, 0.0000000000000000, 0.0012907100000000 ] - [ -0.0051514400000000, 0.0000000000000000, -0.0000355000000000 ] - [ -0.0005159400000000, 0.0000000000000000, 0.0059327700000000 ] - [ 0.0052507600000000, 0.0120016600000000, -0.0226861700000000 ] - [ -0.0062385600000000, 0.0000000000000000, -0.0838160500000000 ] - [ 0.0052507600000000, -0.0120016600000000, -0.0226861700000000 ] - [ -0.0023634600000000, 0.0028524600000000, 0.0010735200000000 ] - [ -0.0000291400000000, 0.0000000000000000, 0.0020440800000000 ] - [ 0.0000255400000000, 0.0000000000000000, 0.0027808700000000 ] - [ 0.0049304500000000, -0.0006808400000000, 0.0016949400000000 ] - [ -0.0000086000000000, 0.0000000000000000, 0.0019021000000000 ] - [ 0.0025869300000000, 0.0000000000000000, -0.0054381100000000 ] - [ 0.0002813200000000, -0.0000614000000000, 0.0017770100000000 ] - [ -0.0000751600000000, 0.0000931900000000, 0.0019342700000000 ] - [ -0.0004251100000000, 0.0000000000000000, 0.0032601200000000 ] - [ 0.0002141500000000, -0.0001236400000000, 0.0018853200000000 ] - [ 0.0002881300000000, 0.0000000000000000, 0.0019083200000000 ] - [ 0.0002141500000000, 0.0001236400000000, 0.0018853200000000 ] - [ -0.0002502000000000, -0.0003866000000000, 0.0011979900000000 ] - [ 0.0000453200000000, 0.0003223500000000, 0.0026902500000000 ] - [ 0.0000453600000000, 0.0000000000000000, 0.0017363300000000 ] - [ 0.0051150700000000, 0.0000000000000000, 0.0008493800000000 ] - [ 0.0004539300000000, 0.0000000000000000, -0.0001318800000000 ] - [ 0.0006885900000000, -0.0002552000000000, -0.0044587100000000 ] - [ 0.0007301600000000, 0.0000000000000000, -0.0041815900000000 ] - [ 0.0006885900000000, 0.0002552000000000, -0.0044587100000000 ] - [ 0.0049304500000000, 0.0006808400000000, 0.0016949400000000 ] - [ -0.0000939800000000, 0.0000000000000000, 0.0019482100000000 ] - [ -0.0002132200000000, 0.0000000000000000, 0.0018433900000000 ] - [ -0.0023634600000000, -0.0028524600000000, 0.0010735200000000 ] - [ -0.0000014000000000, 0.0000000000000000, 0.0019371400000000 ] - [ -0.0010230600000000, 0.0000000000000000, -0.0068386300000000 ] - [ -0.0000751600000000, -0.0000931900000000, 0.0019342700000000 ] - [ 0.0002813200000000, 0.0000614000000000, 0.0017770100000000 ] - [ 0.0001642900000000, 0.0000000000000000, 0.0012056800000000 ] - [ 0.0001358400000000, -0.0001037400000000, 0.0018223100000000 ] - [ -0.0004745500000000, 0.0000000000000000, 0.0020479700000000 ] - [ 0.0001358400000000, 0.0001037400000000, 0.0018223100000000 ] - [ 0.0000453200000000, -0.0003223500000000, 0.0026902500000000 ] - [ -0.0002502000000000, 0.0003866000000000, 0.0011979900000000 ] - [ -0.0000767100000000, 0.0000000000000000, 0.0021331000000000 ] - [ -0.0060853200000000, 0.0094162200000000, -0.0103484800000000 ] - [ 0.0007972500000000, 0.0000000000000000, 0.1698595300000000 ] - [ 0.0008929400000000, 0.0005017600000000, 0.0016155500000000 ] - [ 0.0117929800000000, 0.0000000000000000, -0.0087538600000000 ] - [ -0.0008546900000000, 0.0000000000000000, 0.0026810300000000 ] - [ -0.0046660600000000, 0.0061107100000000, -0.0059221700000000 ] - [ 0.0016165900000000, 0.0000000000000000, 0.0023907400000000 ] - [ 0.0002576100000000, 0.0010281600000000, 0.0059529700000000 ] - [ -0.0012211200000000, 0.0000000000000000, -0.0034877800000000 ] - [ -0.0046660600000000, -0.0061107100000000, -0.0059221700000000 ] - [ 0.0088480900000000, 0.0000000000000000, -0.0056462300000000 ] - [ 0.0002576100000000, -0.0010281600000000, 0.0059529700000000 ] - [ -0.0007298500000000, 0.0000000000000000, -0.0016764500000000 ] - [ -0.0004173300000000, 0.0001707000000000, -0.0013842600000000 ] - [ -0.0018440700000000, 0.0000000000000000, 0.0023063000000000 ] - [ -0.0005149400000000, 0.0000705700000000, -0.0003792800000000 ] - [ 0.0001820500000000, 0.0000000000000000, -0.0016299800000000 ] - [ 0.0000144100000000, -0.0000629200000000, -0.0011290200000000 ] - [ 0.0003727100000000, 0.0000000000000000, -0.0013852800000000 ] - [ 0.0006372300000000, -0.0004336400000000, -0.0013973400000000 ] - [ 0.0000610400000000, 0.0000000000000000, -0.0011654600000000 ] - [ -0.0001861800000000, 0.0001445700000000, -0.0011850800000000 ] - [ 0.0000524400000000, 0.0000000000000000, -0.0018594300000000 ] - [ -0.0001218000000000, -0.0001225400000000, -0.0010927000000000 ] - [ 0.0001513400000000, 0.0000000000000000, -0.0017137800000000 ] - [ -0.0001772600000000, -0.0001442000000000, -0.0011867300000000 ] - [ 0.0002268200000000, 0.0000000000000000, -0.0011810200000000 ] - [ -0.0001218000000000, 0.0001225400000000, -0.0010927000000000 ] - [ 0.0001595000000000, 0.0000000000000000, -0.0011689900000000 ] - [ -0.0004647800000000, 0.0002379700000000, -0.0013356100000000 ] - [ 0.0000828400000000, 0.0000000000000000, -0.0016458400000000 ] - [ -0.0000031500000000, -0.0000379200000000, -0.0010902900000000 ] - [ -0.0008963900000000, 0.0000000000000000, -0.0031160200000000 ] - [ -0.0004647800000000, -0.0002379700000000, -0.0013356100000000 ] - [ 0.0005174800000000, 0.0000000000000000, -0.0015303500000000 ] - [ -0.0000566900000000, 0.0000699400000000, -0.0012396100000000 ] - [ 0.0004490400000000, 0.0000000000000000, -0.0001879700000000 ] - [ 0.0000143300000000, 0.0000000000000000, -0.0012132800000000 ] - [ -0.0003261700000000, -0.0000298400000000, -0.0002126300000000 ] - [ -0.0003261700000000, 0.0000298400000000, -0.0002126300000000 ] - [ 0.0008929400000000, -0.0005017600000000, 0.0016155500000000 ] - [ -0.0005843100000000, 0.0000000000000000, 0.0039768400000000 ] - [ -0.0060853200000000, -0.0094162200000000, -0.0103484800000000 ] - [ -0.0029386200000000, 0.0000000000000000, 0.0021161700000000 ] - [ -0.0007910200000000, 0.0000000000000000, 0.0081753400000000 ] - [ 0.0008999700000000, -0.0006657100000000, 0.0018410200000000 ] - [ -0.0019224400000000, 0.0000000000000000, 0.0018664200000000 ] - [ -0.0002957000000000, 0.0005030000000000, 0.0047170000000000 ] - [ 0.0008804700000000, 0.0000000000000000, -0.0015128000000000 ] - [ 0.0008999700000000, 0.0006657100000000, 0.0018410200000000 ] - [ -0.0029478300000000, 0.0000000000000000, 0.0021444800000000 ] - [ -0.0002957000000000, -0.0005030000000000, 0.0047170000000000 ] - [ 0.0004258500000000, 0.0000000000000000, -0.0003445000000000 ] - [ 0.0000144100000000, 0.0000629200000000, -0.0011290200000000 ] - [ 0.0012037700000000, 0.0000000000000000, 0.0025903500000000 ] - [ 0.0006372300000000, 0.0004336400000000, -0.0013973400000000 ] - [ 0.0000852300000000, 0.0000000000000000, -0.0016738300000000 ] - [ -0.0004173300000000, -0.0001707000000000, -0.0013842600000000 ] - [ 0.0001545500000000, 0.0000000000000000, -0.0010146500000000 ] - [ -0.0005149400000000, -0.0000705700000000, -0.0003792800000000 ] - [ 0.0001751500000000, 0.0000000000000000, -0.0011733600000000 ] - [ -0.0001772600000000, 0.0001442000000000, -0.0011867300000000 ] - [ -0.0000963900000000, 0.0000000000000000, -0.0013341900000000 ] - [ -0.0000920500000000, -0.0001023000000000, -0.0009863300000000 ] - [ 0.0002558300000000, 0.0000000000000000, -0.0016801600000000 ] - [ -0.0001861800000000, -0.0001445700000000, -0.0011850800000000 ] - [ 0.0002405700000000, 0.0000000000000000, -0.0011292100000000 ] - [ -0.0000920500000000, 0.0001023000000000, -0.0009863300000000 ] - [ 0.0003245400000000, 0.0000000000000000, -0.0011875600000000 ] - [ 0.0001441100000000, 0.0001640100000000, -0.0010618800000000 ] - [ 0.0001078300000000, 0.0000000000000000, -0.0015728900000000 ] - [ -0.0000566900000000, -0.0000699400000000, -0.0012396100000000 ] - [ 0.0010184700000000, 0.0000000000000000, -0.0014354200000000 ] - [ 0.0001441100000000, -0.0001640100000000, -0.0010618800000000 ] - [ 0.0003526900000000, 0.0000000000000000, -0.0010094500000000 ] - [ -0.0000031500000000, 0.0000379200000000, -0.0010902900000000 ] - [ -0.0006972500000000, 0.0000000000000000, -0.0016994700000000 ] - [ 0.0001593700000000, 0.0000000000000000, -0.0019167200000000 ] - [ 0.0005064800000000, 0.0002772600000000, -0.0017617600000000 ] - [ 0.0005064800000000, -0.0002772600000000, -0.0017617600000000 ]- atom: 64 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0043322800000000, 0.0000000000000000, 0.0008473900000000 ] - [ -0.0048459800000000, 0.0000000000000000, 0.0020448900000000 ] - [ -0.0001445800000000, 0.0000000000000000, 0.0003672900000000 ] - [ 0.0020373700000000, 0.0000000000000000, -0.0006235900000000 ] - [ 0.0000166000000000, 0.0000000000000000, 0.0000760600000000 ] - [ 0.0001328000000000, 0.0000000000000000, 0.0000272600000000 ] - [ 0.0001934800000000, 0.0000000000000000, -0.0000089600000000 ] - [ -0.0000280100000000, 0.0000000000000000, 0.0000773100000000 ] - [ -0.0021053300000000, 0.0000000000000000, 0.0003210100000000 ] - [ -0.0001932400000000, 0.0000000000000000, -0.0003384200000000 ] - [ -0.0035572500000000, 0.0000000000000000, -0.0000017300000000 ] - [ 0.0027763600000000, 0.0000000000000000, -0.0026862500000000 ] - [ -0.0001871600000000, 0.0000000000000000, -0.0002198800000000 ] - [ -0.0016325000000000, 0.0000000000000000, -0.0001560900000000 ] - [ -0.0000336300000000, 0.0000000000000000, 0.0000809500000000 ] - [ -0.0000521300000000, 0.0000000000000000, 0.0001603400000000 ] - [ -0.0000976000000000, 0.0000000000000000, 0.0002322600000000 ] - [ 0.0000378800000000, 0.0000000000000000, 0.0000819200000000 ] - [ 0.0041128600000000, 0.0000000000000000, -0.0001849200000000 ] - [ 0.0004090100000000, 0.0000000000000000, 0.0006087800000000 ] - [ 0.0685364500000000, 0.0000000000000000, -0.0215914600000000 ] - [ 0.0291219300000000, 0.0000000000000000, 0.0150570900000000 ] - [ 0.0172255500000000, -0.0118799700000000, -0.0088664500000000 ] - [ 0.0007976800000000, 0.0000000000000000, 0.0043986000000000 ] - [ 0.0172255500000000, 0.0118799700000000, -0.0088664500000000 ] - [ -0.0006933200000000, 0.0003344300000000, 0.0003484500000000 ] - [ 0.0000127800000000, 0.0000000000000000, 0.0001291400000000 ] - [ 0.0000106000000000, 0.0000000000000000, 0.0002214400000000 ] - [ 0.0008028100000000, -0.0001203100000000, -0.0001599000000000 ] - [ -0.0000190800000000, 0.0000000000000000, 0.0001413300000000 ] - [ -0.0004417500000000, 0.0000000000000000, -0.0043879800000000 ] - [ 0.0000628800000000, -0.0000394000000000, 0.0001070100000000 ] - [ -0.0000063300000000, 0.0000504400000000, 0.0001635000000000 ] - [ 0.0000269500000000, 0.0000000000000000, 0.0003618000000000 ] - [ -0.0000586600000000, -0.0000308200000000, 0.0000243100000000 ] - [ -0.0017430200000000, 0.0000000000000000, 0.0001930800000000 ] - [ -0.0000586600000000, 0.0000308200000000, 0.0000243100000000 ] - [ -0.0009317600000000, -0.0022289800000000, 0.0029746400000000 ] - [ -0.0013028500000000, 0.0000168600000000, -0.0026796900000000 ] - [ -0.0002544000000000, 0.0000000000000000, 0.0007109800000000 ] - [ -0.0067061800000000, 0.0000000000000000, -0.0039545200000000 ] - [ -0.0040714500000000, 0.0000000000000000, 0.0044484300000000 ] - [ -0.0062323600000000, -0.0003167500000000, -0.0028430000000000 ] - [ -0.0006218000000000, 0.0000000000000000, -0.0014993000000000 ] - [ -0.0062323600000000, 0.0003167500000000, -0.0028430000000000 ] - [ 0.0008028100000000, 0.0001203100000000, -0.0001599000000000 ] - [ -0.0000200800000000, 0.0000000000000000, 0.0002159200000000 ] - [ -0.0001066900000000, 0.0000000000000000, 0.0001889000000000 ] - [ -0.0006933200000000, -0.0003344300000000, 0.0003484500000000 ] - [ 0.0001145100000000, 0.0000000000000000, 0.0000376700000000 ] - [ -0.0018082400000000, 0.0000000000000000, 0.0015091300000000 ] - [ -0.0000063300000000, -0.0000504400000000, 0.0001635000000000 ] - [ 0.0000628800000000, 0.0000394000000000, 0.0001070100000000 ] - [ -0.0001658400000000, 0.0000000000000000, 0.0000255700000000 ] - [ 0.0002927500000000, -0.0000703100000000, 0.0002352000000000 ] - [ 0.0017376400000000, 0.0000000000000000, -0.0004359300000000 ] - [ 0.0002927500000000, 0.0000703100000000, 0.0002352000000000 ] - [ -0.0013028500000000, -0.0000168600000000, -0.0026796900000000 ] - [ -0.0009317600000000, 0.0022289800000000, 0.0029746400000000 ] - [ 0.0003577000000000, 0.0000000000000000, -0.0006832300000000 ] - [ 0.0118090200000000, -0.0097886500000000, 0.0003289600000000 ] - [ 0.0029431400000000, 0.0000000000000000, -0.0123252000000000 ] - [ 0.0093949500000000, 0.0070254400000000, 0.0014097100000000 ] - [ -0.1604459400000000, 0.0000000000000000, 0.0307491000000000 ] - [ 0.0012190400000000, 0.0000000000000000, 0.0013999200000000 ] - [ -0.0010865400000000, 0.0005262600000000, -0.0006732200000000 ] - [ -0.0063570400000000, 0.0000000000000000, 0.0010352300000000 ] - [ -0.0028827100000000, -0.0018129900000000, 0.0027591700000000 ] - [ -0.0003745600000000, 0.0000000000000000, -0.0001861900000000 ] - [ -0.0010865400000000, -0.0005262600000000, -0.0006732200000000 ] - [ 0.0011617800000000, 0.0000000000000000, -0.0011513500000000 ] - [ -0.0028827100000000, 0.0018129900000000, 0.0027591700000000 ] - [ -0.0002418000000000, 0.0000000000000000, -0.0001289700000000 ] - [ -0.0000636800000000, -0.0000436800000000, -0.0001548000000000 ] - [ -0.0002997600000000, 0.0000000000000000, 0.0008589700000000 ] - [ 0.0000260200000000, 0.0001225900000000, 0.0001294700000000 ] - [ 0.0000870500000000, 0.0000000000000000, -0.0001344800000000 ] - [ 0.0000146800000000, 0.0000543000000000, -0.0001663500000000 ] - [ -0.0000030800000000, 0.0000000000000000, -0.0001061800000000 ] - [ -0.0000083200000000, -0.0001182400000000, -0.0002310000000000 ] - [ -0.0000956000000000, 0.0000000000000000, -0.0000561100000000 ] - [ 0.0000206600000000, 0.0000199300000000, -0.0001350300000000 ] - [ -0.0000793000000000, 0.0000000000000000, -0.0002552300000000 ] - [ 0.0000294400000000, -0.0000073000000000, 0.0000187100000000 ] - [ 0.0004115800000000, 0.0000000000000000, -0.0001904400000000 ] - [ -0.0001061400000000, -0.0000347000000000, -0.0001194400000000 ] - [ 0.0000540100000000, 0.0000000000000000, 0.0000047800000000 ] - [ 0.0000294400000000, 0.0000073000000000, 0.0000187100000000 ] - [ 0.0003646900000000, 0.0000000000000000, -0.0000730500000000 ] - [ 0.0010758200000000, -0.0001430100000000, 0.0004900900000000 ] - [ 0.0000599000000000, 0.0000000000000000, -0.0000107800000000 ] - [ 0.0000334200000000, 0.0000375000000000, -0.0003800600000000 ] - [ 0.0016509100000000, 0.0000000000000000, 0.0024019800000000 ] - [ 0.0010758200000000, 0.0001430100000000, 0.0004900900000000 ] - [ -0.0001568600000000, 0.0000000000000000, 0.0012430000000000 ] - [ 0.0001950300000000, -0.0000921500000000, 0.0002176500000000 ] - [ -0.0014280100000000, 0.0000000000000000, -0.0013982900000000 ] - [ 0.0004098700000000, 0.0000000000000000, -0.0009503600000000 ] - [ 0.0021431400000000, -0.0002322200000000, -0.0008716700000000 ] - [ 0.0021431400000000, 0.0002322200000000, -0.0008716700000000 ] - [ 0.0093949500000000, -0.0070254400000000, 0.0014097100000000 ] - [ 0.0010941600000000, 0.0000000000000000, 0.0028954300000000 ] - [ 0.0118090200000000, 0.0097886500000000, 0.0003289600000000 ] - [ 0.0082370100000000, 0.0000000000000000, -0.0002176200000000 ] - [ -0.0011865800000000, 0.0000000000000000, -0.0013966100000000 ] - [ 0.0005898200000000, -0.0002020700000000, 0.0004797200000000 ] - [ 0.0042585600000000, 0.0000000000000000, 0.0000411500000000 ] - [ 0.0023034800000000, -0.0000484200000000, -0.0003484900000000 ] - [ 0.0000878800000000, 0.0000000000000000, -0.0000666800000000 ] - [ 0.0005898200000000, 0.0002020700000000, 0.0004797200000000 ] - [ -0.0005070000000000, 0.0000000000000000, 0.0008559300000000 ] - [ 0.0023034800000000, 0.0000484200000000, -0.0003484900000000 ] - [ 0.0001722100000000, 0.0000000000000000, -0.0000930000000000 ] - [ 0.0000146800000000, -0.0000543000000000, -0.0001663500000000 ] - [ 0.0002947600000000, 0.0000000000000000, -0.0005222900000000 ] - [ -0.0000083200000000, 0.0001182400000000, -0.0002310000000000 ] - [ 0.0000512000000000, 0.0000000000000000, -0.0001076300000000 ] - [ -0.0000636800000000, 0.0000436800000000, -0.0001548000000000 ] - [ 0.0000121700000000, 0.0000000000000000, -0.0000345000000000 ] - [ 0.0000260200000000, -0.0001225900000000, 0.0001294700000000 ] - [ -0.0000402800000000, 0.0000000000000000, -0.0000914500000000 ] - [ -0.0001061400000000, 0.0000347000000000, -0.0001194400000000 ] - [ -0.0000676600000000, 0.0000000000000000, -0.0001376600000000 ] - [ 0.0000222200000000, -0.0000104700000000, 0.0000085600000000 ] - [ -0.0001121000000000, 0.0000000000000000, -0.0002806500000000 ] - [ 0.0000206600000000, -0.0000199300000000, -0.0001350300000000 ] - [ 0.0000148000000000, 0.0000000000000000, -0.0001147300000000 ] - [ 0.0000222200000000, 0.0000104700000000, 0.0000085600000000 ] - [ -0.0002877100000000, 0.0000000000000000, -0.0000657500000000 ] - [ -0.0015640200000000, 0.0006259000000000, -0.0008478300000000 ] - [ 0.0000064800000000, 0.0000000000000000, -0.0001782600000000 ] - [ 0.0001950300000000, 0.0000921500000000, 0.0002176500000000 ] - [ 0.0023294400000000, 0.0000000000000000, -0.0100363600000000 ] - [ -0.0015640200000000, -0.0006259000000000, -0.0008478300000000 ] - [ 0.0014446500000000, 0.0000000000000000, -0.0016439100000000 ] - [ 0.0000334200000000, -0.0000375000000000, -0.0003800600000000 ] - [ 0.0021038000000000, 0.0000000000000000, 0.0021620800000000 ] - [ -0.0002167000000000, 0.0000000000000000, 0.0012840900000000 ] - [ -0.0023540300000000, -0.0025324600000000, 0.0043966600000000 ] - [ -0.0023540300000000, 0.0025324600000000, 0.0043966600000000 ]- atom: 64 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0042865200000000, 0.0000000000000000, -0.0009756500000000 ] - [ 0.0046995800000000, 0.0000000000000000, -0.0020536200000000 ] - [ 0.0000293300000000, 0.0000000000000000, -0.0003878100000000 ] - [ -0.0022239100000000, 0.0000000000000000, 0.0006965600000000 ] - [ -0.0000308500000000, 0.0000000000000000, -0.0001083400000000 ] - [ -0.0000618500000000, 0.0000000000000000, -0.0000358600000000 ] - [ -0.0001494800000000, 0.0000000000000000, 0.0000471100000000 ] - [ 0.0000319400000000, 0.0000000000000000, -0.0001388800000000 ] - [ 0.0020614400000000, 0.0000000000000000, -0.0004035300000000 ] - [ 0.0004408700000000, 0.0000000000000000, 0.0002946500000000 ] - [ 0.0036385200000000, 0.0000000000000000, -0.0001620000000000 ] - [ -0.0029846700000000, 0.0000000000000000, 0.0026855000000000 ] - [ 0.0000659800000000, 0.0000000000000000, 0.0002022300000000 ] - [ 0.0014372000000000, 0.0000000000000000, 0.0002491300000000 ] - [ 0.0000200700000000, 0.0000000000000000, -0.0001123200000000 ] - [ 0.0001231600000000, 0.0000000000000000, -0.0001689800000000 ] - [ 0.0001417900000000, 0.0000000000000000, -0.0001953300000000 ] - [ -0.0000345700000000, 0.0000000000000000, -0.0001437900000000 ] - [ -0.0041803500000000, 0.0000000000000000, 0.0001160400000000 ] - [ -0.0001661800000000, 0.0000000000000000, -0.0006552200000000 ] - [ -0.0727194600000000, 0.0000000000000000, 0.0234218500000000 ] - [ -0.0276322000000000, 0.0000000000000000, -0.0137947100000000 ] - [ -0.0172138300000000, 0.0113582100000000, 0.0086699900000000 ] - [ -0.0011009200000000, 0.0000000000000000, -0.0042898000000000 ] - [ -0.0172138300000000, -0.0113582100000000, 0.0086699900000000 ] - [ 0.0006264200000000, -0.0001542000000000, -0.0003676200000000 ] - [ -0.0000141600000000, 0.0000000000000000, -0.0000903900000000 ] - [ -0.0000984700000000, 0.0000000000000000, -0.0001703500000000 ] - [ -0.0008718800000000, -0.0000608300000000, 0.0001337100000000 ] - [ 0.0001251300000000, 0.0000000000000000, -0.0002673800000000 ] - [ 0.0000645000000000, 0.0000000000000000, 0.0044199800000000 ] - [ -0.0000175900000000, -0.0000429500000000, -0.0001324400000000 ] - [ 0.0000520400000000, 0.0000319700000000, -0.0001890300000000 ] - [ -0.0001522900000000, 0.0000000000000000, -0.0003043800000000 ] - [ 0.0003322200000000, 0.0000021000000000, -0.0000619800000000 ] - [ 0.0016702100000000, 0.0000000000000000, -0.0002101400000000 ] - [ 0.0003322200000000, -0.0000021000000000, -0.0000619800000000 ] - [ 0.0009806200000000, 0.0022618400000000, -0.0030732800000000 ] - [ 0.0013728700000000, -0.0000450200000000, 0.0025995800000000 ] - [ 0.0003476400000000, 0.0000000000000000, -0.0007419100000000 ] - [ 0.0068434700000000, 0.0000000000000000, 0.0038919200000000 ] - [ 0.0042423300000000, 0.0000000000000000, -0.0044974200000000 ] - [ 0.0062872500000000, 0.0000253800000000, 0.0028525300000000 ] - [ 0.0002999600000000, 0.0000000000000000, 0.0016341300000000 ] - [ 0.0062872500000000, -0.0000253800000000, 0.0028525300000000 ] - [ -0.0008718800000000, 0.0000608300000000, 0.0001337100000000 ] - [ 0.0000188400000000, 0.0000000000000000, -0.0001769600000000 ] - [ 0.0000187900000000, 0.0000000000000000, -0.0001359900000000 ] - [ 0.0006264200000000, 0.0001542000000000, -0.0003676200000000 ] - [ -0.0000084300000000, 0.0000000000000000, -0.0001637100000000 ] - [ 0.0014835700000000, 0.0000000000000000, -0.0014894300000000 ] - [ 0.0000520400000000, -0.0000319700000000, -0.0001890300000000 ] - [ -0.0000175900000000, 0.0000429500000000, -0.0001324400000000 ] - [ 0.0000373400000000, 0.0000000000000000, 0.0000328700000000 ] - [ -0.0000216800000000, 0.0000423100000000, -0.0002735800000000 ] - [ -0.0018229900000000, 0.0000000000000000, 0.0004245700000000 ] - [ -0.0000216800000000, -0.0000423100000000, -0.0002735800000000 ] - [ 0.0013728700000000, 0.0000450200000000, 0.0025995800000000 ] - [ 0.0009806200000000, -0.0022618400000000, -0.0030732800000000 ] - [ -0.0002662600000000, 0.0000000000000000, 0.0006600700000000 ] - [ -0.0117139300000000, 0.0099053300000000, -0.0003559700000000 ] - [ -0.0031745900000000, 0.0000000000000000, 0.0125390900000000 ] - [ -0.0095566100000000, -0.0074103200000000, -0.0014439800000000 ] - [ 0.1633219600000000, 0.0000000000000000, -0.0335750900000000 ] - [ -0.0013583900000000, 0.0000000000000000, -0.0014955000000000 ] - [ 0.0009582200000000, -0.0005477800000000, 0.0007654700000000 ] - [ 0.0065273200000000, 0.0000000000000000, -0.0012893200000000 ] - [ 0.0028275800000000, 0.0018102900000000, -0.0027584300000000 ] - [ 0.0000710100000000, 0.0000000000000000, 0.0003474100000000 ] - [ 0.0009582200000000, 0.0005477800000000, 0.0007654700000000 ] - [ -0.0012569400000000, 0.0000000000000000, 0.0011711600000000 ] - [ 0.0028275800000000, -0.0018102900000000, -0.0027584300000000 ] - [ 0.0001815900000000, 0.0000000000000000, 0.0000696200000000 ] - [ 0.0000443100000000, -0.0000790400000000, 0.0000202400000000 ] - [ 0.0002599300000000, 0.0000000000000000, -0.0009512900000000 ] - [ -0.0000068100000000, 0.0000986800000000, -0.0000936700000000 ] - [ 0.0000401600000000, 0.0000000000000000, 0.0001645300000000 ] - [ -0.0000343400000000, 0.0000687800000000, 0.0000306100000000 ] - [ -0.0000318500000000, 0.0000000000000000, 0.0001598700000000 ] - [ 0.0000247700000000, -0.0001023700000000, 0.0002660900000000 ] - [ -0.0000736900000000, 0.0000000000000000, 0.0000949000000000 ] - [ -0.0000751600000000, 0.0000079900000000, 0.0000668200000000 ] - [ -0.0000790900000000, 0.0000000000000000, 0.0000975400000000 ] - [ 0.0000447500000000, 0.0000100000000000, 0.0001877500000000 ] - [ -0.0001510100000000, 0.0000000000000000, 0.0001334600000000 ] - [ 0.0000523000000000, 0.0000068300000000, 0.0000507800000000 ] - [ -0.0000307800000000, 0.0000000000000000, 0.0000770100000000 ] - [ 0.0000447500000000, -0.0000100000000000, 0.0001877500000000 ] - [ -0.0002844900000000, 0.0000000000000000, 0.0000959000000000 ] - [ -0.0010408400000000, 0.0001783700000000, -0.0004874100000000 ] - [ -0.0000087500000000, 0.0000000000000000, 0.0000476100000000 ] - [ 0.0001915000000000, 0.0000796700000000, 0.0003401700000000 ] - [ -0.0016939300000000, 0.0000000000000000, -0.0021357900000000 ] - [ -0.0010408400000000, -0.0001783700000000, -0.0004874100000000 ] - [ 0.0004782300000000, 0.0000000000000000, -0.0013291800000000 ] - [ 0.0000275900000000, -0.0000245800000000, -0.0002599100000000 ] - [ 0.0014206300000000, 0.0000000000000000, 0.0016299500000000 ] - [ -0.0003715000000000, 0.0000000000000000, 0.0009379700000000 ] - [ -0.0020502300000000, 0.0002853800000000, 0.0009406500000000 ] - [ -0.0020502300000000, -0.0002853800000000, 0.0009406500000000 ] - [ -0.0095566100000000, 0.0074103200000000, -0.0014439800000000 ] - [ -0.0012874000000000, 0.0000000000000000, -0.0026415900000000 ] - [ -0.0117139300000000, -0.0099053300000000, -0.0003559700000000 ] - [ -0.0083029400000000, 0.0000000000000000, 0.0001948100000000 ] - [ 0.0010126600000000, 0.0000000000000000, 0.0013331800000000 ] - [ -0.0007147500000000, 0.0001815400000000, -0.0003955900000000 ] - [ -0.0041183100000000, 0.0000000000000000, -0.0002851400000000 ] - [ -0.0024225800000000, 0.0000477800000000, 0.0003125700000000 ] - [ -0.0003906200000000, 0.0000000000000000, 0.0002248000000000 ] - [ -0.0007147500000000, -0.0001815400000000, -0.0003955900000000 ] - [ 0.0004213700000000, 0.0000000000000000, -0.0008281700000000 ] - [ -0.0024225800000000, -0.0000477800000000, 0.0003125700000000 ] - [ -0.0002313500000000, 0.0000000000000000, 0.0000312700000000 ] - [ -0.0000343400000000, -0.0000687800000000, 0.0000306100000000 ] - [ -0.0003418600000000, 0.0000000000000000, 0.0004216500000000 ] - [ 0.0000247700000000, 0.0001023700000000, 0.0002660900000000 ] - [ 0.0000763300000000, 0.0000000000000000, 0.0001381600000000 ] - [ 0.0000443100000000, 0.0000790400000000, 0.0000202400000000 ] - [ -0.0000460500000000, 0.0000000000000000, 0.0000881500000000 ] - [ -0.0000068100000000, -0.0000986800000000, -0.0000936700000000 ] - [ -0.0001295700000000, 0.0000000000000000, 0.0001302400000000 ] - [ 0.0000523000000000, -0.0000068300000000, 0.0000507800000000 ] - [ -0.0000896100000000, 0.0000000000000000, -0.0000194500000000 ] - [ 0.0000526100000000, 0.0000126200000000, 0.0001981900000000 ] - [ 0.0003745500000000, 0.0000000000000000, 0.0002226000000000 ] - [ -0.0000751600000000, -0.0000079900000000, 0.0000668200000000 ] - [ 0.0000088100000000, 0.0000000000000000, 0.0001965300000000 ] - [ 0.0000526100000000, -0.0000126200000000, 0.0001981900000000 ] - [ 0.0003717800000000, 0.0000000000000000, 0.0000871200000000 ] - [ 0.0016108400000000, -0.0005925200000000, 0.0008534500000000 ] - [ 0.0000457300000000, 0.0000000000000000, 0.0002157000000000 ] - [ 0.0000275900000000, 0.0000245800000000, -0.0002599100000000 ] - [ -0.0023777100000000, 0.0000000000000000, 0.0103928100000000 ] - [ 0.0016108400000000, 0.0005925200000000, 0.0008534500000000 ] - [ -0.0011254800000000, 0.0000000000000000, 0.0015726400000000 ] - [ 0.0001915000000000, -0.0000796700000000, 0.0003401700000000 ] - [ -0.0021585500000000, 0.0000000000000000, -0.0019461700000000 ] - [ 0.0002527900000000, 0.0000000000000000, -0.0013093000000000 ] - [ 0.0024250900000000, 0.0025809600000000, -0.0043518800000000 ] - [ 0.0024250900000000, -0.0025809600000000, -0.0043518800000000 ]- atom: 64 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000280400000000, -0.0039051200000000, -0.0001096700000000 ] - [ -0.0000769300000000, 0.0020609700000000, -0.0000120400000000 ] - [ -0.0000590700000000, -0.0000756300000000, -0.0000086600000000 ] - [ -0.0001007900000000, -0.0020417200000000, 0.0000471300000000 ] - [ -0.0000074000000000, -0.0000006300000000, -0.0000146200000000 ] - [ 0.0000353600000000, -0.0000114100000000, -0.0000022400000000 ] - [ 0.0000221100000000, 0.0000092300000000, 0.0000199500000000 ] - [ 0.0000016600000000, 0.0000007500000000, -0.0000291900000000 ] - [ -0.0000260100000000, -0.0000479200000000, -0.0000386400000000 ] - [ 0.0001224100000000, 0.0000281500000000, -0.0000211200000000 ] - [ 0.0000304800000000, 0.0002358200000000, -0.0000799000000000 ] - [ -0.0000631700000000, -0.0033022400000000, -0.0000096400000000 ] - [ -0.0000573100000000, -0.0000108400000000, -0.0000081500000000 ] - [ -0.0000980400000000, 0.0000766700000000, 0.0000439700000000 ] - [ -0.0000068100000000, -0.0000002100000000, -0.0000141900000000 ] - [ 0.0000351600000000, -0.0000064700000000, -0.0000031600000000 ] - [ 0.0000216400000000, 0.0000050900000000, 0.0000200600000000 ] - [ 0.0000014700000000, 0.0000004500000000, -0.0000293100000000 ] - [ -0.0000220100000000, 0.0013382500000000, -0.0000349600000000 ] - [ 0.0001223700000000, 0.0000505000000000, -0.0000203300000000 ] - [ 0.0002689700000000, 0.0057635000000000, -0.0001175500000000 ] - [ 0.0000043700000000, 0.0073426400000000, -0.0000912200000000 ] - [ -0.0097078300000000, 0.0240899400000000, 0.0167863300000000 ] - [ -0.0001590900000000, -0.0000788700000000, 0.0000558700000000 ] - [ 0.0104624000000000, 0.0255709700000000, -0.0179652700000000 ] - [ -0.0000282300000000, 0.0000876200000000, -0.0000207800000000 ] - [ 0.0000006100000000, -0.0000005600000000, 0.0000227200000000 ] - [ -0.0000456100000000, 0.0000008000000000, 0.0000270800000000 ] - [ -0.0001157900000000, -0.0000977600000000, -0.0001781700000000 ] - [ 0.0000513700000000, -0.0000026200000000, -0.0000617500000000 ] - [ -0.0001673500000000, 0.0043412600000000, 0.0000051800000000 ] - [ 0.0000233800000000, -0.0000415000000000, -0.0000090400000000 ] - [ 0.0000222700000000, 0.0000413600000000, -0.0000109200000000 ] - [ -0.0000628000000000, 0.0000217800000000, 0.0000317100000000 ] - [ 0.0001259000000000, -0.0000150600000000, -0.0000232100000000 ] - [ -0.0000427800000000, -0.0000029300000000, -0.0000064000000000 ] - [ 0.0001462600000000, 0.0000134400000000, -0.0000109000000000 ] - [ 0.0000070100000000, 0.0000710400000000, -0.0000252200000000 ] - [ 0.0013408600000000, 0.0000254900000000, 0.0007882100000000 ] - [ 0.0000476900000000, -0.0000130200000000, -0.0000099000000000 ] - [ 0.0000558100000000, -0.0049981400000000, -0.0000193100000000 ] - [ 0.0000842100000000, -0.0016499600000000, -0.0000083100000000 ] - [ 0.0008645900000000, 0.0000077300000000, 0.0007086000000000 ] - [ -0.0001538300000000, -0.0002103000000000, 0.0000635800000000 ] - [ -0.0008265000000000, 0.0003065100000000, -0.0007379500000000 ] - [ 0.0000433100000000, 0.0000809600000000, 0.0001620600000000 ] - [ 0.0000007400000000, 0.0000001300000000, 0.0000229500000000 ] - [ -0.0000454100000000, -0.0000006900000000, 0.0000267900000000 ] - [ -0.0000408600000000, -0.0000911700000000, 0.0000012500000000 ] - [ 0.0000515000000000, -0.0000014700000000, -0.0000617200000000 ] - [ -0.0001706800000000, -0.0002652400000000, 0.0000055900000000 ] - [ 0.0000226900000000, -0.0000412900000000, -0.0000098900000000 ] - [ 0.0000216600000000, 0.0000412400000000, -0.0000117100000000 ] - [ -0.0000617700000000, 0.0000269100000000, 0.0000320600000000 ] - [ 0.0001312300000000, -0.0000143500000000, -0.0000207600000000 ] - [ -0.0000405100000000, -0.0002144800000000, -0.0000056400000000 ] - [ 0.0001406700000000, 0.0000135900000000, -0.0000129700000000 ] - [ -0.0012857900000000, 0.0000510000000000, -0.0008731800000000 ] - [ 0.0000394600000000, 0.0000591900000000, -0.0000575400000000 ] - [ 0.0000482100000000, -0.0000653400000000, -0.0000103400000000 ] - [ -0.0076648200000000, 0.0029886000000000, -0.0010658400000000 ] - [ -0.0001034200000000, -0.0054319900000000, 0.0001543300000000 ] - [ 0.0040526000000000, 0.0022270600000000, 0.0002647200000000 ] - [ -0.0008995400000000, -0.0906400300000000, 0.0013551600000000 ] - [ -0.0000791300000000, -0.0006109700000000, -0.0000373300000000 ] - [ 0.0001749900000000, -0.0000464100000000, -0.0001584600000000 ] - [ 0.0000601600000000, 0.0243144200000000, -0.0001129000000000 ] - [ -0.0030041800000000, 0.0019317000000000, -0.0052245100000000 ] - [ -0.0001512500000000, 0.0000030600000000, 0.0000780400000000 ] - [ -0.0002966700000000, -0.0000227900000000, 0.0002468200000000 ] - [ -0.0000470900000000, 0.0000254200000000, 0.0000117000000000 ] - [ 0.0028486900000000, 0.0019353100000000, 0.0051398900000000 ] - [ -0.0000298900000000, -0.0000087900000000, -0.0000317900000000 ] - [ -0.0000081800000000, -0.0000624100000000, -0.0000697900000000 ] - [ -0.0000225800000000, -0.0003814400000000, -0.0000546000000000 ] - [ -0.0000139200000000, 0.0001071400000000, -0.0000186500000000 ] - [ 0.0000634700000000, 0.0000000000000000, 0.0000123800000000 ] - [ -0.0000105500000000, 0.0000624100000000, -0.0000674200000000 ] - [ -0.0000180900000000, 0.0000010700000000, 0.0000258100000000 ] - [ -0.0000052900000000, -0.0001103700000000, 0.0000324200000000 ] - [ -0.0000833800000000, -0.0000001900000000, 0.0000180800000000 ] - [ -0.0000264900000000, 0.0000127300000000, -0.0000359200000000 ] - [ -0.0000789300000000, -0.0000012000000000, -0.0000799800000000 ] - [ 0.0000362100000000, -0.0000006200000000, 0.0001016600000000 ] - [ 0.0001307800000000, 0.0000045500000000, -0.0000318900000000 ] - [ -0.0000285500000000, -0.0000131500000000, -0.0000345700000000 ] - [ 0.0000106900000000, 0.0000043500000000, 0.0000399000000000 ] - [ 0.0000363400000000, 0.0000000300000000, 0.0001019800000000 ] - [ 0.0000426100000000, -0.0000061900000000, 0.0000099000000000 ] - [ -0.0000196000000000, 0.0000306100000000, -0.0000092800000000 ] - [ 0.0000260500000000, -0.0000058700000000, 0.0000184300000000 ] - [ 0.0001176900000000, 0.0000570400000000, -0.0000344600000000 ] - [ -0.0000178200000000, 0.0008516200000000, 0.0001266400000000 ] - [ 0.0000590100000000, -0.0000028200000000, 0.0000116100000000 ] - [ 0.0001599300000000, 0.0006422100000000, -0.0000401000000000 ] - [ 0.0001290700000000, -0.0000629500000000, 0.0000085800000000 ] - [ -0.0000155300000000, 0.0004935300000000, 0.0001181200000000 ] - [ 0.0000195100000000, 0.0000236200000000, -0.0000073500000000 ] - [ 0.0000207100000000, -0.0000157600000000, 0.0002901500000000 ] - [ 0.0000814800000000, -0.0000638600000000, -0.0002315200000000 ] - [ -0.0041241800000000, 0.0024853200000000, -0.0002695100000000 ] - [ -0.0001018400000000, 0.0008510700000000, 0.0001452900000000 ] - [ 0.0076947900000000, 0.0026990000000000, 0.0010743700000000 ] - [ -0.0000271400000000, 0.0010966200000000, -0.0000096500000000 ] - [ -0.0000818700000000, 0.0017413500000000, -0.0000270600000000 ] - [ -0.0000801600000000, 0.0000041800000000, 0.0000550200000000 ] - [ 0.0000754400000000, -0.0009698400000000, -0.0001184400000000 ] - [ -0.0001977200000000, -0.0000397700000000, 0.0003321600000000 ] - [ -0.0001517500000000, -0.0000056400000000, 0.0000784400000000 ] - [ -0.0000462500000000, 0.0000255100000000, 0.0000330900000000 ] - [ -0.0000461500000000, 0.0005403400000000, 0.0000082700000000 ] - [ 0.0000827400000000, -0.0000405300000000, -0.0003569600000000 ] - [ -0.0000304400000000, 0.0000025500000000, -0.0000313800000000 ] - [ -0.0000082800000000, -0.0000626600000000, -0.0000690800000000 ] - [ -0.0000221800000000, 0.0000155700000000, -0.0000511000000000 ] - [ 0.0000226300000000, 0.0001109400000000, 0.0000008500000000 ] - [ 0.0000634100000000, -0.0000002400000000, 0.0000123600000000 ] - [ -0.0000104700000000, 0.0000624900000000, -0.0000666500000000 ] - [ -0.0000181700000000, 0.0000037500000000, 0.0000257200000000 ] - [ 0.0000301300000000, -0.0001136100000000, 0.0000503100000000 ] - [ -0.0000836300000000, -0.0000004600000000, 0.0000181300000000 ] - [ -0.0000252000000000, 0.0000123300000000, -0.0000353400000000 ] - [ -0.0000788500000000, -0.0000039200000000, -0.0000799500000000 ] - [ 0.0000363100000000, -0.0000005100000000, 0.0001017800000000 ] - [ 0.0001303400000000, -0.0000047900000000, -0.0000322100000000 ] - [ -0.0000271500000000, -0.0000128000000000, -0.0000339100000000 ] - [ 0.0000106700000000, 0.0000012800000000, 0.0000397100000000 ] - [ 0.0000366000000000, -0.0000000400000000, 0.0001019800000000 ] - [ 0.0000427700000000, 0.0000042100000000, 0.0000095900000000 ] - [ 0.0002604800000000, -0.0000350300000000, -0.0001129200000000 ] - [ 0.0000261400000000, -0.0000021300000000, 0.0000181200000000 ] - [ 0.0000921600000000, 0.0000498000000000, -0.0000523100000000 ] - [ -0.0000055000000000, -0.0015240500000000, 0.0001040200000000 ] - [ -0.0002233300000000, -0.0000712700000000, 0.0001118700000000 ] - [ 0.0001638300000000, 0.0000091400000000, -0.0000423500000000 ] - [ 0.0001041600000000, -0.0000562300000000, -0.0000100000000000 ] - [ -0.0000131400000000, -0.0008046600000000, 0.0001115700000000 ] - [ 0.0000190600000000, -0.0006522300000000, -0.0000060700000000 ] - [ -0.0018824800000000, 0.0009886900000000, -0.0043094200000000 ] - [ 0.0019956500000000, 0.0009116200000000, 0.0043860800000000 ]- atom: 64 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0022686900000000, 0.0000000000000000, 0.0042496700000000 ] - [ 0.0015419100000000, 0.0000000000000000, 0.0041359600000000 ] - [ 0.0004987800000000, 0.0000000000000000, -0.0010604300000000 ] - [ 0.0019122100000000, 0.0000000000000000, -0.0021737700000000 ] - [ 0.0000002100000000, 0.0000000000000000, -0.0009679700000000 ] - [ -0.0000521400000000, 0.0000000000000000, -0.0011422000000000 ] - [ -0.0000081900000000, 0.0000000000000000, -0.0009960400000000 ] - [ -0.0000498600000000, 0.0000000000000000, -0.0010896100000000 ] - [ -0.0004398500000000, 0.0000000000000000, 0.0001629700000000 ] - [ -0.0005003000000000, 0.0000000000000000, -0.0010728200000000 ] - [ -0.0004731600000000, 0.0000000000000000, 0.0019709700000000 ] - [ -0.0028291300000000, 0.0000000000000000, 0.0045075500000000 ] - [ -0.0005849800000000, 0.0000000000000000, -0.0007146500000000 ] - [ -0.0000139700000000, 0.0000000000000000, 0.0003039300000000 ] - [ -0.0000303700000000, 0.0000000000000000, -0.0009250500000000 ] - [ 0.0000770700000000, 0.0000000000000000, -0.0010179100000000 ] - [ 0.0000334500000000, 0.0000000000000000, -0.0008634200000000 ] - [ -0.0000243600000000, 0.0000000000000000, -0.0011215700000000 ] - [ 0.0008834200000000, 0.0000000000000000, -0.0030396600000000 ] - [ 0.0003686400000000, 0.0000000000000000, -0.0012255100000000 ] - [ -0.0124662400000000, 0.0000000000000000, 0.0151422400000000 ] - [ 0.0161309800000000, 0.0000000000000000, 0.0264758200000000 ] - [ -0.0038344900000000, 0.0147592600000000, 0.0225631100000000 ] - [ 0.0005161100000000, 0.0000000000000000, -0.0044900000000000 ] - [ -0.0038344900000000, -0.0147592600000000, 0.0225631100000000 ] - [ 0.0002192200000000, -0.0001793600000000, -0.0010609900000000 ] - [ 0.0000375500000000, 0.0000000000000000, -0.0015360700000000 ] - [ 0.0000357800000000, 0.0000000000000000, -0.0016669600000000 ] - [ -0.0002297600000000, -0.0001389200000000, -0.0020647800000000 ] - [ 0.0001316800000000, 0.0000000000000000, -0.0015645300000000 ] - [ -0.0059686100000000, 0.0000000000000000, -0.0038163800000000 ] - [ -0.0000418800000000, 0.0000301700000000, -0.0014937000000000 ] - [ 0.0000176600000000, -0.0000211900000000, -0.0014563100000000 ] - [ 0.0002029900000000, 0.0000000000000000, -0.0016211900000000 ] - [ -0.0000602500000000, 0.0000706700000000, -0.0014183300000000 ] - [ -0.0000062200000000, 0.0000000000000000, -0.0009860600000000 ] - [ -0.0000602500000000, -0.0000706700000000, -0.0014183300000000 ] - [ 0.0018944100000000, 0.0017904400000000, -0.0005652800000000 ] - [ -0.0039513800000000, -0.0000992600000000, -0.0017842200000000 ] - [ 0.0002383600000000, 0.0000000000000000, -0.0010791800000000 ] - [ -0.0012895000000000, 0.0000000000000000, 0.0033843600000000 ] - [ 0.0002127700000000, 0.0000000000000000, 0.0041814800000000 ] - [ -0.0004712400000000, 0.0002107500000000, 0.0034858600000000 ] - [ -0.0016389400000000, 0.0000000000000000, 0.0000917600000000 ] - [ -0.0004712400000000, -0.0002107500000000, 0.0034858600000000 ] - [ -0.0002297600000000, 0.0001389200000000, -0.0020647800000000 ] - [ 0.0000499300000000, 0.0000000000000000, -0.0015105900000000 ] - [ -0.0000388500000000, 0.0000000000000000, -0.0014024200000000 ] - [ 0.0002192200000000, 0.0001793600000000, -0.0010609900000000 ] - [ 0.0000822500000000, 0.0000000000000000, -0.0016443100000000 ] - [ 0.0012794800000000, 0.0000000000000000, 0.0007970700000000 ] - [ 0.0000176600000000, 0.0000211900000000, -0.0014563100000000 ] - [ -0.0000418800000000, -0.0000301700000000, -0.0014937000000000 ] - [ -0.0003084800000000, 0.0000000000000000, -0.0014517000000000 ] - [ 0.0002425600000000, 0.0000786200000000, -0.0015439400000000 ] - [ 0.0007652300000000, 0.0000000000000000, -0.0023537400000000 ] - [ 0.0002425600000000, -0.0000786200000000, -0.0015439400000000 ] - [ -0.0039513800000000, 0.0000992600000000, -0.0017842200000000 ] - [ 0.0018944100000000, -0.0017904400000000, -0.0005652800000000 ] - [ -0.0000046600000000, 0.0000000000000000, -0.0020281700000000 ] - [ 0.0002632200000000, -0.0017695000000000, -0.0070139000000000 ] - [ -0.0092736600000000, 0.0000000000000000, 0.0084836000000000 ] - [ 0.0003938200000000, -0.0000490900000000, -0.0038868800000000 ] - [ 0.0076981500000000, 0.0000000000000000, -0.0958328900000000 ] - [ 0.0019991300000000, 0.0000000000000000, -0.0015083300000000 ] - [ -0.0002026800000000, -0.0004196900000000, 0.0015329000000000 ] - [ 0.0002004400000000, 0.0000000000000000, -0.0083160700000000 ] - [ 0.0035368000000000, -0.0042648200000000, 0.0050848700000000 ] - [ -0.0002246500000000, 0.0000000000000000, 0.0016352000000000 ] - [ -0.0002026800000000, 0.0004196900000000, 0.0015329000000000 ] - [ -0.0013735400000000, 0.0000000000000000, 0.0011528900000000 ] - [ 0.0035368000000000, 0.0042648200000000, 0.0050848700000000 ] - [ -0.0002539500000000, 0.0000000000000000, 0.0010886500000000 ] - [ 0.0001294800000000, -0.0001667500000000, 0.0008800300000000 ] - [ 0.0004889000000000, 0.0000000000000000, 0.0018075100000000 ] - [ 0.0003589100000000, 0.0002308500000000, 0.0010089200000000 ] - [ -0.0000006100000000, 0.0000000000000000, 0.0012711200000000 ] - [ 0.0000818600000000, 0.0001473300000000, 0.0007753000000000 ] - [ -0.0002370700000000, 0.0000000000000000, 0.0009728400000000 ] - [ -0.0000828800000000, -0.0001361700000000, 0.0008603400000000 ] - [ -0.0002472000000000, 0.0000000000000000, 0.0009659700000000 ] - [ 0.0000784400000000, -0.0000749800000000, 0.0008179300000000 ] - [ -0.0001700800000000, 0.0000000000000000, 0.0011942500000000 ] - [ 0.0001558200000000, 0.0001026200000000, 0.0010024000000000 ] - [ 0.0001020600000000, 0.0000000000000000, 0.0010808400000000 ] - [ 0.0000985300000000, 0.0000890000000000, 0.0009037400000000 ] - [ -0.0001108800000000, 0.0000000000000000, 0.0009839800000000 ] - [ 0.0001558200000000, -0.0001026200000000, 0.0010024000000000 ] - [ 0.0000108100000000, 0.0000000000000000, 0.0007427600000000 ] - [ 0.0005342300000000, 0.0000322300000000, 0.0003726400000000 ] - [ 0.0000151000000000, 0.0000000000000000, 0.0013061200000000 ] - [ 0.0000695400000000, 0.0000951100000000, 0.0007853700000000 ] - [ 0.0017007200000000, 0.0000000000000000, -0.0017833100000000 ] - [ 0.0005342300000000, -0.0000322300000000, 0.0003726400000000 ] - [ 0.0008714600000000, 0.0000000000000000, 0.0019486100000000 ] - [ 0.0004260100000000, -0.0001842800000000, 0.0010195300000000 ] - [ -0.0014376000000000, 0.0000000000000000, -0.0013900900000000 ] - [ -0.0002557200000000, 0.0000000000000000, 0.0002776600000000 ] - [ -0.0003498800000000, 0.0003766000000000, -0.0013755000000000 ] - [ -0.0003498800000000, -0.0003766000000000, -0.0013755000000000 ] - [ 0.0003938200000000, 0.0000490900000000, -0.0038868800000000 ] - [ 0.0013327000000000, 0.0000000000000000, -0.0017695700000000 ] - [ 0.0002632200000000, 0.0017695000000000, -0.0070139000000000 ] - [ 0.0009502200000000, 0.0000000000000000, -0.0022082300000000 ] - [ -0.0019629800000000, 0.0000000000000000, -0.0007225100000000 ] - [ 0.0001439500000000, 0.0000251200000000, 0.0001711300000000 ] - [ 0.0004163900000000, 0.0000000000000000, -0.0025310200000000 ] - [ -0.0007842200000000, 0.0002629400000000, -0.0014327100000000 ] - [ -0.0002563600000000, 0.0000000000000000, 0.0011806700000000 ] - [ 0.0001439500000000, -0.0000251200000000, 0.0001711300000000 ] - [ 0.0007417600000000, 0.0000000000000000, 0.0016845100000000 ] - [ -0.0007842200000000, -0.0002629400000000, -0.0014327100000000 ] - [ -0.0001181900000000, 0.0000000000000000, 0.0006528600000000 ] - [ 0.0000818600000000, -0.0001473300000000, 0.0007753000000000 ] - [ -0.0004113400000000, 0.0000000000000000, 0.0002773800000000 ] - [ -0.0000828800000000, 0.0001361700000000, 0.0008603400000000 ] - [ 0.0000180200000000, 0.0000000000000000, 0.0013271200000000 ] - [ 0.0001294800000000, 0.0001667500000000, 0.0008800300000000 ] - [ -0.0001340000000000, 0.0000000000000000, 0.0009573000000000 ] - [ 0.0003589100000000, -0.0002308500000000, 0.0010089200000000 ] - [ -0.0002627800000000, 0.0000000000000000, 0.0009307300000000 ] - [ 0.0000985300000000, -0.0000890000000000, 0.0009037400000000 ] - [ -0.0000933600000000, 0.0000000000000000, 0.0011923900000000 ] - [ 0.0001573200000000, 0.0001007300000000, 0.0009989400000000 ] - [ 0.0000029100000000, 0.0000000000000000, 0.0014761800000000 ] - [ 0.0000784400000000, 0.0000749800000000, 0.0008179300000000 ] - [ -0.0002022400000000, 0.0000000000000000, 0.0009804800000000 ] - [ 0.0001573200000000, -0.0001007300000000, 0.0009989400000000 ] - [ -0.0002463200000000, 0.0000000000000000, 0.0010673800000000 ] - [ -0.0004936100000000, -0.0003035000000000, 0.0012038300000000 ] - [ -0.0000699900000000, 0.0000000000000000, 0.0012744000000000 ] - [ 0.0004260100000000, 0.0001842800000000, 0.0010195300000000 ] - [ -0.0050015200000000, 0.0000000000000000, 0.0049811700000000 ] - [ -0.0004936100000000, 0.0003035000000000, 0.0012038300000000 ] - [ -0.0008059100000000, 0.0000000000000000, 0.0008368700000000 ] - [ 0.0000695400000000, -0.0000951100000000, 0.0007853700000000 ] - [ 0.0024957800000000, 0.0000000000000000, -0.0005671500000000 ] - [ 0.0005295900000000, 0.0000000000000000, 0.0021008200000000 ] - [ 0.0032186100000000, -0.0051934000000000, 0.0066072200000000 ] - [ 0.0032186100000000, 0.0051934000000000, 0.0066072200000000 ]- atom: 64 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0021947100000000, 0.0000000000000000, -0.0043719300000000 ] - [ -0.0016962500000000, 0.0000000000000000, -0.0041917400000000 ] - [ -0.0006195100000000, 0.0000000000000000, 0.0010421100000000 ] - [ -0.0021230700000000, 0.0000000000000000, 0.0022640100000000 ] - [ -0.0000148200000000, 0.0000000000000000, 0.0009371600000000 ] - [ 0.0001228100000000, 0.0000000000000000, 0.0011353900000000 ] - [ 0.0000531500000000, 0.0000000000000000, 0.0010334500000000 ] - [ 0.0000531200000000, 0.0000000000000000, 0.0010290400000000 ] - [ 0.0003910800000000, 0.0000000000000000, -0.0002326700000000 ] - [ 0.0007420400000000, 0.0000000000000000, 0.0010304100000000 ] - [ 0.0005345200000000, 0.0000000000000000, -0.0021151300000000 ] - [ 0.0026775500000000, 0.0000000000000000, -0.0045802700000000 ] - [ 0.0004696300000000, 0.0000000000000000, 0.0006956100000000 ] - [ -0.0001837100000000, 0.0000000000000000, -0.0002229000000000 ] - [ 0.0000167500000000, 0.0000000000000000, 0.0008947100000000 ] - [ -0.0000068400000000, 0.0000000000000000, 0.0010099400000000 ] - [ 0.0000110100000000, 0.0000000000000000, 0.0009017100000000 ] - [ 0.0000280000000000, 0.0000000000000000, 0.0010606900000000 ] - [ -0.0009245000000000, 0.0000000000000000, 0.0029494900000000 ] - [ -0.0001222200000000, 0.0000000000000000, 0.0011822800000000 ] - [ 0.0127246200000000, 0.0000000000000000, -0.0153671600000000 ] - [ -0.0146226900000000, 0.0000000000000000, -0.0256174700000000 ] - [ 0.0042250400000000, -0.0156795300000000, -0.0228750900000000 ] - [ -0.0008301600000000, 0.0000000000000000, 0.0046205700000000 ] - [ 0.0042250400000000, 0.0156795300000000, -0.0228750900000000 ] - [ -0.0002889200000000, 0.0003609800000000, 0.0010388600000000 ] - [ -0.0000399200000000, 0.0000000000000000, 0.0015764800000000 ] - [ -0.0001247400000000, 0.0000000000000000, 0.0017216600000000 ] - [ 0.0001603300000000, -0.0000410800000000, 0.0020476400000000 ] - [ -0.0000253000000000, 0.0000000000000000, 0.0014410600000000 ] - [ 0.0056639800000000, 0.0000000000000000, 0.0038575600000000 ] - [ 0.0000874100000000, -0.0001126300000000, 0.0014707000000000 ] - [ 0.0000277000000000, 0.0001036800000000, 0.0014327900000000 ] - [ -0.0003307500000000, 0.0000000000000000, 0.0016821300000000 ] - [ 0.0003314600000000, -0.0001000400000000, 0.0013821900000000 ] - [ -0.0000715100000000, 0.0000000000000000, 0.0009766800000000 ] - [ 0.0003314600000000, 0.0001000400000000, 0.0013821900000000 ] - [ -0.0018372400000000, -0.0017616000000000, 0.0004869600000000 ] - [ 0.0039790800000000, 0.0000716700000000, 0.0017003200000000 ] - [ -0.0001461200000000, 0.0000000000000000, 0.0010546700000000 ] - [ 0.0014202200000000, 0.0000000000000000, -0.0033849800000000 ] - [ -0.0000546000000000, 0.0000000000000000, -0.0041555600000000 ] - [ 0.0005010200000000, -0.0005164400000000, -0.0035334100000000 ] - [ 0.0013354600000000, 0.0000000000000000, 0.0000253600000000 ] - [ 0.0005010200000000, 0.0005164400000000, -0.0035334100000000 ] - [ 0.0001603300000000, 0.0000410800000000, 0.0020476400000000 ] - [ -0.0000513300000000, 0.0000000000000000, 0.0015514800000000 ] - [ -0.0000482700000000, 0.0000000000000000, 0.0014563900000000 ] - [ -0.0002889200000000, -0.0003609800000000, 0.0010388600000000 ] - [ 0.0000241700000000, 0.0000000000000000, 0.0015200800000000 ] - [ -0.0016220700000000, 0.0000000000000000, -0.0007990300000000 ] - [ 0.0000277000000000, -0.0001036800000000, 0.0014327900000000 ] - [ 0.0000874100000000, 0.0001126300000000, 0.0014707000000000 ] - [ 0.0001834900000000, 0.0000000000000000, 0.0015123000000000 ] - [ 0.0000301400000000, -0.0001072700000000, 0.0015067000000000 ] - [ -0.0008369500000000, 0.0000000000000000, 0.0023356500000000 ] - [ 0.0000301400000000, 0.0001072700000000, 0.0015067000000000 ] - [ 0.0039790800000000, -0.0000716700000000, 0.0017003200000000 ] - [ -0.0018372400000000, 0.0017616000000000, 0.0004869600000000 ] - [ 0.0000949300000000, 0.0000000000000000, 0.0019985100000000 ] - [ -0.0003390200000000, 0.0020474300000000, 0.0069901200000000 ] - [ 0.0092055300000000, 0.0000000000000000, -0.0082974600000000 ] - [ -0.0004148600000000, -0.0001995000000000, 0.0038859600000000 ] - [ -0.0100305500000000, 0.0000000000000000, 0.0956880200000000 ] - [ -0.0021589600000000, 0.0000000000000000, 0.0014426100000000 ] - [ 0.0000781400000000, 0.0004019400000000, -0.0014467100000000 ] - [ -0.0000540000000000, 0.0000000000000000, 0.0080892300000000 ] - [ -0.0036856800000000, 0.0043290900000000, -0.0051677200000000 ] - [ -0.0000770700000000, 0.0000000000000000, -0.0014759600000000 ] - [ 0.0000781400000000, -0.0004019400000000, -0.0014467100000000 ] - [ 0.0012889000000000, 0.0000000000000000, -0.0011344100000000 ] - [ -0.0036856800000000, -0.0043290900000000, -0.0051677200000000 ] - [ 0.0001944400000000, 0.0000000000000000, -0.0011507400000000 ] - [ -0.0001502700000000, 0.0000480300000000, -0.0010168600000000 ] - [ -0.0005335200000000, 0.0000000000000000, -0.0019088000000000 ] - [ -0.0003424100000000, -0.0000075800000000, -0.0009756000000000 ] - [ 0.0001290500000000, 0.0000000000000000, -0.0012405900000000 ] - [ -0.0001021300000000, -0.0000279400000000, -0.0009123100000000 ] - [ 0.0002056200000000, 0.0000000000000000, -0.0009205000000000 ] - [ 0.0001016800000000, -0.0000868900000000, -0.0008254300000000 ] - [ 0.0000756200000000, 0.0000000000000000, -0.0009287100000000 ] - [ -0.0001336500000000, 0.0001060700000000, -0.0008881900000000 ] - [ 0.0000121700000000, 0.0000000000000000, -0.0013548300000000 ] - [ -0.0000809400000000, -0.0000961400000000, -0.0007968400000000 ] - [ 0.0001601200000000, 0.0000000000000000, -0.0011418200000000 ] - [ -0.0001534100000000, -0.0001201300000000, -0.0009737500000000 ] - [ 0.0001374100000000, 0.0000000000000000, -0.0009030800000000 ] - [ -0.0000809400000000, 0.0000961400000000, -0.0007968400000000 ] - [ 0.0000693000000000, 0.0000000000000000, -0.0007238300000000 ] - [ -0.0004934700000000, 0.0000066600000000, -0.0003762000000000 ] - [ 0.0000352700000000, 0.0000000000000000, -0.0012735400000000 ] - [ 0.0001542700000000, 0.0000257000000000, -0.0008283100000000 ] - [ -0.0017236400000000, 0.0000000000000000, 0.0020170400000000 ] - [ -0.0004934700000000, -0.0000066600000000, -0.0003762000000000 ] - [ -0.0005423900000000, 0.0000000000000000, -0.0020193900000000 ] - [ -0.0002009600000000, 0.0000620100000000, -0.0010605900000000 ] - [ 0.0014105400000000, 0.0000000000000000, 0.0016038400000000 ] - [ 0.0002895400000000, 0.0000000000000000, -0.0003050200000000 ] - [ 0.0004442600000000, -0.0003230500000000, 0.0014254600000000 ] - [ 0.0004442600000000, 0.0003230500000000, 0.0014254600000000 ] - [ -0.0004148600000000, 0.0001995000000000, 0.0038859600000000 ] - [ -0.0015411700000000, 0.0000000000000000, 0.0020698700000000 ] - [ -0.0003390200000000, -0.0020474300000000, 0.0069901200000000 ] - [ -0.0010105100000000, 0.0000000000000000, 0.0021915600000000 ] - [ 0.0018052300000000, 0.0000000000000000, 0.0006780800000000 ] - [ -0.0002707400000000, -0.0000441700000000, -0.0000801600000000 ] - [ -0.0002674300000000, 0.0000000000000000, 0.0022972500000000 ] - [ 0.0006749300000000, -0.0002678200000000, 0.0014162000000000 ] - [ -0.0000450400000000, 0.0000000000000000, -0.0010195800000000 ] - [ -0.0002707400000000, 0.0000441700000000, -0.0000801600000000 ] - [ -0.0008355100000000, 0.0000000000000000, -0.0016682600000000 ] - [ 0.0006749300000000, 0.0002678200000000, 0.0014162000000000 ] - [ 0.0000571100000000, 0.0000000000000000, -0.0007126400000000 ] - [ -0.0001021300000000, 0.0000279400000000, -0.0009123100000000 ] - [ 0.0003691200000000, 0.0000000000000000, -0.0003693000000000 ] - [ 0.0001016800000000, 0.0000868900000000, -0.0008254300000000 ] - [ 0.0001101500000000, 0.0000000000000000, -0.0012962000000000 ] - [ -0.0001502700000000, -0.0000480300000000, -0.0010168600000000 ] - [ 0.0001022400000000, 0.0000000000000000, -0.0009046500000000 ] - [ -0.0003424100000000, 0.0000075800000000, -0.0009756000000000 ] - [ 0.0000912800000000, 0.0000000000000000, -0.0008931600000000 ] - [ -0.0001534100000000, 0.0001201300000000, -0.0009737500000000 ] - [ -0.0000645100000000, 0.0000000000000000, -0.0013532400000000 ] - [ -0.0000822000000000, -0.0000953600000000, -0.0007930200000000 ] - [ 0.0002587500000000, 0.0000000000000000, -0.0015349000000000 ] - [ -0.0001336500000000, -0.0001060700000000, -0.0008881900000000 ] - [ 0.0002279100000000, 0.0000000000000000, -0.0008997300000000 ] - [ -0.0000822000000000, 0.0000953600000000, -0.0007930200000000 ] - [ 0.0003252700000000, 0.0000000000000000, -0.0010473200000000 ] - [ 0.0005287100000000, 0.0003424800000000, -0.0012026900000000 ] - [ 0.0001208800000000, 0.0000000000000000, -0.0012415900000000 ] - [ -0.0002009600000000, -0.0000620100000000, -0.0010605900000000 ] - [ 0.0049240900000000, 0.0000000000000000, -0.0046938300000000 ] - [ 0.0005287100000000, -0.0003424800000000, -0.0012026900000000 ] - [ 0.0011272200000000, 0.0000000000000000, -0.0009165200000000 ] - [ 0.0001542700000000, -0.0000257000000000, -0.0008283100000000 ] - [ -0.0025238100000000, 0.0000000000000000, 0.0007662900000000 ] - [ -0.0004924500000000, 0.0000000000000000, -0.0021180700000000 ] - [ -0.0030926200000000, 0.0051694100000000, -0.0064579200000000 ] - [ -0.0030926200000000, -0.0051694100000000, -0.0064579200000000 ]- atom: 65 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0002215400000000, 0.0000000000000000, -0.0010341800000000 ] - [ -0.0055154100000000, 0.0000000000000000, 0.0017155600000000 ] - [ -0.0017069500000000, 0.0000000000000000, 0.0000857600000000 ] - [ -0.0028920400000000, 0.0000000000000000, 0.0034526000000000 ] - [ -0.0001096000000000, 0.0000000000000000, 0.0002102100000000 ] - [ 0.0002179300000000, 0.0000000000000000, 0.0006254300000000 ] - [ 0.0000003200000000, 0.0000000000000000, 0.0001600900000000 ] - [ -0.0000155700000000, 0.0000000000000000, 0.0001241800000000 ] - [ 0.0000034000000000, 0.0000000000000000, 0.0003046000000000 ] - [ 0.0000619100000000, 0.0000000000000000, 0.0001851600000000 ] - [ 0.0007060300000000, 0.0000000000000000, 0.0033105800000000 ] - [ 0.0034020100000000, 0.0000000000000000, -0.0032466100000000 ] - [ 0.0031603400000000, 0.0000000000000000, 0.0001436500000000 ] - [ 0.0162112400000000, 0.0000000000000000, 0.0037412800000000 ] - [ 0.0001391700000000, 0.0000000000000000, 0.0000380300000000 ] - [ -0.0001115900000000, 0.0000000000000000, -0.0002096400000000 ] - [ 0.0000446200000000, 0.0000000000000000, 0.0001533300000000 ] - [ 0.0000297900000000, 0.0000000000000000, 0.0001353100000000 ] - [ -0.0001427500000000, 0.0000000000000000, -0.0001038100000000 ] - [ 0.0001962000000000, 0.0000000000000000, 0.0000795300000000 ] - [ 0.0006321900000000, 0.0000000000000000, -0.0035429700000000 ] - [ -0.0021096700000000, 0.0000000000000000, -0.0001907700000000 ] - [ -0.0065356900000000, -0.0003477200000000, -0.0031176200000000 ] - [ -0.0048314400000000, 0.0000000000000000, 0.0000236100000000 ] - [ -0.0065356900000000, 0.0003477200000000, -0.0031176200000000 ] - [ -0.0002769700000000, 0.0003087700000000, -0.0020282500000000 ] - [ -0.0000665300000000, 0.0000000000000000, 0.0002819000000000 ] - [ -0.0003342000000000, 0.0000000000000000, 0.0006038900000000 ] - [ -0.0012144300000000, 0.0023239600000000, 0.0024309600000000 ] - [ 0.0000609400000000, 0.0000000000000000, 0.0001242200000000 ] - [ 0.0844016400000000, 0.0000000000000000, -0.0214310900000000 ] - [ 0.0001231100000000, -0.0000951000000000, 0.0003055300000000 ] - [ -0.0001008300000000, 0.0000635000000000, 0.0001039400000000 ] - [ -0.0014519500000000, 0.0000000000000000, 0.0001987800000000 ] - [ 0.0001185300000000, -0.0000274300000000, 0.0002183900000000 ] - [ 0.0000401800000000, 0.0000000000000000, 0.0003430200000000 ] - [ 0.0001185300000000, 0.0000274300000000, 0.0002183900000000 ] - [ 0.0006249200000000, -0.0000166700000000, -0.0000372500000000 ] - [ -0.0004834500000000, -0.0001528600000000, 0.0003683100000000 ] - [ 0.0000912300000000, 0.0000000000000000, 0.0002306600000000 ] - [ -0.0017818200000000, 0.0000000000000000, 0.0013800900000000 ] - [ 0.0028884200000000, 0.0000000000000000, -0.0002176100000000 ] - [ 0.0169523600000000, -0.0105440800000000, -0.0096415600000000 ] - [ 0.0048382400000000, 0.0000000000000000, -0.0004700000000000 ] - [ 0.0169523600000000, 0.0105440800000000, -0.0096415600000000 ] - [ -0.0012144300000000, -0.0023239600000000, 0.0024309600000000 ] - [ 0.0000525300000000, 0.0000000000000000, 0.0002106900000000 ] - [ 0.0002294500000000, 0.0000000000000000, -0.0003214800000000 ] - [ -0.0002769700000000, -0.0003087700000000, -0.0020282500000000 ] - [ 0.0000285300000000, 0.0000000000000000, 0.0001964500000000 ] - [ -0.0063554300000000, 0.0000000000000000, -0.0037792600000000 ] - [ -0.0001008300000000, -0.0000635000000000, 0.0001039400000000 ] - [ 0.0001231100000000, 0.0000951000000000, 0.0003055300000000 ] - [ 0.0012443200000000, 0.0000000000000000, -0.0000253100000000 ] - [ 0.0001649200000000, -0.0000192400000000, 0.0001760700000000 ] - [ -0.0001414000000000, 0.0000000000000000, 0.0000982200000000 ] - [ 0.0001649200000000, 0.0000192400000000, 0.0001760700000000 ] - [ -0.0004834500000000, 0.0001528600000000, 0.0003683100000000 ] - [ 0.0006249200000000, 0.0000166700000000, -0.0000372500000000 ] - [ -0.0000065500000000, 0.0000000000000000, 0.0002316700000000 ] - [ 0.0023726400000000, 0.0001478200000000, -0.0003719300000000 ] - [ 0.0039404500000000, 0.0000000000000000, 0.0003481100000000 ] - [ -0.0033483700000000, -0.0017322400000000, 0.0023787700000000 ] - [ 0.0012551000000000, 0.0000000000000000, 0.0019100700000000 ] - [ -0.1672989600000000, 0.0000000000000000, 0.0432094600000000 ] - [ 0.0019011900000000, 0.0001704200000000, -0.0005097000000000 ] - [ 0.0012831300000000, 0.0000000000000000, 0.0024780900000000 ] - [ 0.0091472900000000, 0.0066960800000000, 0.0020689600000000 ] - [ 0.0001966700000000, 0.0000000000000000, -0.0005145700000000 ] - [ 0.0019011900000000, -0.0001704200000000, -0.0005097000000000 ] - [ 0.0018516600000000, 0.0000000000000000, 0.0018270200000000 ] - [ 0.0091472900000000, -0.0066960800000000, 0.0020689600000000 ] - [ 0.0012566100000000, 0.0000000000000000, -0.0014615200000000 ] - [ -0.0000440300000000, -0.0000580000000000, -0.0004021200000000 ] - [ 0.0025254800000000, 0.0000000000000000, -0.0098392900000000 ] - [ -0.0011698500000000, -0.0004805400000000, -0.0008449600000000 ] - [ 0.0000843400000000, 0.0000000000000000, -0.0000965700000000 ] - [ 0.0000113900000000, 0.0000777400000000, 0.0000429400000000 ] - [ 0.0002216200000000, 0.0000000000000000, -0.0000566500000000 ] - [ 0.0008032500000000, -0.0002982400000000, 0.0004782400000000 ] - [ -0.0000581300000000, 0.0000000000000000, -0.0001705800000000 ] - [ -0.0000421000000000, 0.0000242400000000, -0.0001597700000000 ] - [ 0.0001539200000000, 0.0000000000000000, -0.0002566900000000 ] - [ 0.0000693500000000, -0.0000126700000000, -0.0000296800000000 ] - [ 0.0001312100000000, 0.0000000000000000, -0.0002589200000000 ] - [ -0.0000443700000000, -0.0000266500000000, -0.0001707100000000 ] - [ 0.0000556700000000, 0.0000000000000000, -0.0001085700000000 ] - [ 0.0000693500000000, 0.0000126700000000, -0.0000296800000000 ] - [ 0.0000604000000000, 0.0000000000000000, -0.0001540400000000 ] - [ -0.0000261900000000, 0.0000241200000000, -0.0002604700000000 ] - [ 0.0000488500000000, 0.0000000000000000, -0.0001805600000000 ] - [ 0.0000633100000000, 0.0000369600000000, -0.0001476200000000 ] - [ 0.0002696400000000, 0.0000000000000000, -0.0004361000000000 ] - [ -0.0000261900000000, -0.0000241200000000, -0.0002604700000000 ] - [ 0.0003366200000000, 0.0000000000000000, -0.0001631600000000 ] - [ 0.0001192500000000, -0.0000417800000000, -0.0001632200000000 ] - [ -0.0003070000000000, 0.0000000000000000, 0.0007667200000000 ] - [ -0.0001380500000000, 0.0000000000000000, -0.0002674500000000 ] - [ -0.0008320500000000, -0.0003966100000000, -0.0006177500000000 ] - [ -0.0008320500000000, 0.0003966100000000, -0.0006177500000000 ] - [ -0.0033483700000000, 0.0017322400000000, 0.0023787700000000 ] - [ -0.0060589600000000, 0.0000000000000000, 0.0017146900000000 ] - [ 0.0023726400000000, -0.0001478200000000, -0.0003719300000000 ] - [ -0.0011169200000000, 0.0000000000000000, -0.0017659100000000 ] - [ 0.0079494100000000, 0.0000000000000000, -0.0008071000000000 ] - [ -0.0020233100000000, 0.0013481000000000, 0.0032933700000000 ] - [ 0.0033944900000000, 0.0000000000000000, -0.0114068200000000 ] - [ 0.0130225900000000, 0.0096069500000000, 0.0014533200000000 ] - [ -0.0004345000000000, 0.0000000000000000, 0.0008562800000000 ] - [ -0.0020233100000000, -0.0013481000000000, 0.0032933700000000 ] - [ -0.0015995200000000, 0.0000000000000000, -0.0007693100000000 ] - [ 0.0130225900000000, -0.0096069500000000, 0.0014533200000000 ] - [ -0.0005299500000000, 0.0000000000000000, 0.0008492700000000 ] - [ 0.0000113900000000, -0.0000777400000000, 0.0000429400000000 ] - [ 0.0010873200000000, 0.0000000000000000, 0.0027511700000000 ] - [ 0.0008032500000000, 0.0002982400000000, 0.0004782400000000 ] - [ 0.0000592300000000, 0.0000000000000000, -0.0002308400000000 ] - [ -0.0000440300000000, 0.0000580000000000, -0.0004021200000000 ] - [ -0.0002509600000000, 0.0000000000000000, -0.0001266500000000 ] - [ -0.0011698500000000, 0.0004805400000000, -0.0008449600000000 ] - [ -0.0000460000000000, 0.0000000000000000, -0.0000718800000000 ] - [ -0.0000443700000000, 0.0000266500000000, -0.0001707100000000 ] - [ -0.0002652800000000, 0.0000000000000000, -0.0004118600000000 ] - [ -0.0000376800000000, -0.0000271600000000, -0.0000337200000000 ] - [ 0.0001454500000000, 0.0000000000000000, -0.0001721300000000 ] - [ -0.0000421000000000, -0.0000242400000000, -0.0001597700000000 ] - [ 0.0000112000000000, 0.0000000000000000, -0.0000828400000000 ] - [ -0.0000376800000000, 0.0000271600000000, -0.0000337200000000 ] - [ 0.0000832200000000, 0.0000000000000000, -0.0001033300000000 ] - [ 0.0000331100000000, 0.0000252300000000, 0.0000190600000000 ] - [ 0.0000204600000000, 0.0000000000000000, -0.0001627100000000 ] - [ 0.0001192500000000, 0.0000417800000000, -0.0001632200000000 ] - [ -0.0002529900000000, 0.0000000000000000, 0.0006678900000000 ] - [ 0.0000331100000000, -0.0000252300000000, 0.0000190600000000 ] - [ 0.0000210500000000, 0.0000000000000000, -0.0001874800000000 ] - [ 0.0000633100000000, -0.0000369600000000, -0.0001476200000000 ] - [ 0.0009360100000000, 0.0000000000000000, -0.0009223900000000 ] - [ 0.0002056300000000, 0.0000000000000000, -0.0002267200000000 ] - [ 0.0005952100000000, 0.0001155100000000, 0.0003075500000000 ] - [ 0.0005952100000000, -0.0001155100000000, 0.0003075500000000 ]- atom: 65 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0002947500000000, 0.0000000000000000, 0.0008720900000000 ] - [ 0.0053517500000000, 0.0000000000000000, -0.0017722200000000 ] - [ 0.0015853200000000, 0.0000000000000000, -0.0000985100000000 ] - [ 0.0026869200000000, 0.0000000000000000, -0.0033431000000000 ] - [ 0.0000949200000000, 0.0000000000000000, -0.0002377400000000 ] - [ -0.0001457400000000, 0.0000000000000000, -0.0006277800000000 ] - [ 0.0000436800000000, 0.0000000000000000, -0.0001197300000000 ] - [ 0.0000186800000000, 0.0000000000000000, -0.0001818400000000 ] - [ -0.0000552700000000, 0.0000000000000000, -0.0003769700000000 ] - [ 0.0001817900000000, 0.0000000000000000, -0.0002261000000000 ] - [ -0.0006441300000000, 0.0000000000000000, -0.0034501200000000 ] - [ -0.0035040200000000, 0.0000000000000000, 0.0031793500000000 ] - [ -0.0032585300000000, 0.0000000000000000, -0.0001687500000000 ] - [ -0.0174149500000000, 0.0000000000000000, -0.0045265500000000 ] - [ -0.0001525300000000, 0.0000000000000000, -0.0000660600000000 ] - [ 0.0001793000000000, 0.0000000000000000, 0.0002041600000000 ] - [ -0.0000012900000000, 0.0000000000000000, -0.0001126200000000 ] - [ -0.0000265200000000, 0.0000000000000000, -0.0001931500000000 ] - [ 0.0000987300000000, 0.0000000000000000, 0.0000280000000000 ] - [ 0.0000485700000000, 0.0000000000000000, -0.0001197300000000 ] - [ -0.0004768300000000, 0.0000000000000000, 0.0034947500000000 ] - [ 0.0022674200000000, 0.0000000000000000, 0.0001714400000000 ] - [ 0.0065495800000000, 0.0000417700000000, 0.0030560700000000 ] - [ 0.0045013700000000, 0.0000000000000000, 0.0001095400000000 ] - [ 0.0065495800000000, -0.0000417700000000, 0.0030560700000000 ] - [ 0.0001894800000000, -0.0001287400000000, 0.0020064500000000 ] - [ 0.0000671100000000, 0.0000000000000000, -0.0002350500000000 ] - [ 0.0002431700000000, 0.0000000000000000, -0.0005456600000000 ] - [ 0.0011443100000000, -0.0024918600000000, -0.0024379800000000 ] - [ 0.0000424100000000, 0.0000000000000000, -0.0002458500000000 ] - [ -0.0798694700000000, 0.0000000000000000, 0.0196748400000000 ] - [ -0.0000772900000000, 0.0000120900000000, -0.0003244500000000 ] - [ 0.0001448000000000, 0.0000193000000000, -0.0001231500000000 ] - [ 0.0013222000000000, 0.0000000000000000, -0.0001317200000000 ] - [ 0.0001529400000000, -0.0000005200000000, -0.0002512200000000 ] - [ -0.0001233900000000, 0.0000000000000000, -0.0003520300000000 ] - [ 0.0001529400000000, 0.0000005200000000, -0.0002512200000000 ] - [ -0.0005741900000000, 0.0000439100000000, -0.0000394900000000 ] - [ 0.0005310200000000, 0.0001265900000000, -0.0004529800000000 ] - [ 0.0000038800000000, 0.0000000000000000, -0.0002481300000000 ] - [ 0.0018811600000000, 0.0000000000000000, -0.0014198500000000 ] - [ -0.0027371900000000, 0.0000000000000000, 0.0002285400000000 ] - [ -0.0168808500000000, 0.0104981700000000, 0.0098160900000000 ] - [ -0.0051217300000000, 0.0000000000000000, 0.0005535000000000 ] - [ -0.0168808500000000, -0.0104981700000000, 0.0098160900000000 ] - [ 0.0011443100000000, 0.0024918600000000, -0.0024379800000000 ] - [ -0.0000515600000000, 0.0000000000000000, -0.0001638700000000 ] - [ -0.0003193000000000, 0.0000000000000000, 0.0003735600000000 ] - [ 0.0001894800000000, 0.0001287400000000, 0.0020064500000000 ] - [ 0.0000750800000000, 0.0000000000000000, -0.0003181000000000 ] - [ 0.0059937800000000, 0.0000000000000000, 0.0037971700000000 ] - [ 0.0001448000000000, -0.0000193000000000, -0.0001231500000000 ] - [ -0.0000772900000000, -0.0000120900000000, -0.0003244500000000 ] - [ -0.0013625100000000, 0.0000000000000000, 0.0000867400000000 ] - [ 0.0001072400000000, -0.0000088100000000, -0.0002087500000000 ] - [ 0.0000624400000000, 0.0000000000000000, -0.0001079800000000 ] - [ 0.0001072400000000, 0.0000088100000000, -0.0002087500000000 ] - [ 0.0005310200000000, -0.0001265900000000, -0.0004529800000000 ] - [ -0.0005741900000000, -0.0000439100000000, -0.0000394900000000 ] - [ 0.0001017700000000, 0.0000000000000000, -0.0002514500000000 ] - [ -0.0024135400000000, 0.0001248800000000, 0.0003713000000000 ] - [ -0.0041268500000000, 0.0000000000000000, -0.0000541700000000 ] - [ 0.0032448700000000, 0.0014679400000000, -0.0024201200000000 ] - [ -0.0013201700000000, 0.0000000000000000, -0.0019098000000000 ] - [ 0.1632687600000000, 0.0000000000000000, -0.0410055700000000 ] - [ -0.0020205000000000, -0.0001909100000000, 0.0005914800000000 ] - [ -0.0011442400000000, 0.0000000000000000, -0.0026848300000000 ] - [ -0.0091476100000000, -0.0065815200000000, -0.0020629000000000 ] - [ -0.0005013000000000, 0.0000000000000000, 0.0006668700000000 ] - [ -0.0020205000000000, 0.0001909100000000, 0.0005914800000000 ] - [ -0.0019347400000000, 0.0000000000000000, -0.0018098400000000 ] - [ -0.0091476100000000, 0.0065815200000000, -0.0020629000000000 ] - [ -0.0013103300000000, 0.0000000000000000, 0.0013896400000000 ] - [ 0.0000253100000000, -0.0000680800000000, 0.0002644200000000 ] - [ -0.0025474100000000, 0.0000000000000000, 0.0096217000000000 ] - [ 0.0011782500000000, 0.0006972100000000, 0.0008731000000000 ] - [ 0.0000429300000000, 0.0000000000000000, 0.0001192900000000 ] - [ -0.0000289000000000, 0.0000487000000000, -0.0001786200000000 ] - [ -0.0002583200000000, 0.0000000000000000, 0.0001069700000000 ] - [ -0.0007835600000000, 0.0000782000000000, -0.0004474100000000 ] - [ -0.0001073200000000, 0.0000000000000000, 0.0002059300000000 ] - [ -0.0000110600000000, -0.0000000300000000, 0.0000896600000000 ] - [ -0.0003101800000000, 0.0000000000000000, 0.0000959300000000 ] - [ 0.0000028200000000, 0.0000105300000000, 0.0002322500000000 ] - [ 0.0001294200000000, 0.0000000000000000, 0.0001923600000000 ] - [ -0.0000089400000000, 0.0000024400000000, 0.0001005500000000 ] - [ -0.0000354200000000, 0.0000000000000000, 0.0001877500000000 ] - [ 0.0000028200000000, -0.0000105300000000, 0.0002322500000000 ] - [ 0.0000274400000000, 0.0000000000000000, 0.0001723100000000 ] - [ 0.0000658700000000, 0.0000076700000000, 0.0002607200000000 ] - [ 0.0000039600000000, 0.0000000000000000, 0.0002172600000000 ] - [ 0.0001572600000000, 0.0000739400000000, 0.0001018200000000 ] - [ -0.0003015500000000, 0.0000000000000000, 0.0006847000000000 ] - [ 0.0000658700000000, -0.0000076700000000, 0.0002607200000000 ] - [ -0.0000147300000000, 0.0000000000000000, 0.0000822800000000 ] - [ 0.0001014500000000, -0.0000690400000000, 0.0001182000000000 ] - [ 0.0002791300000000, 0.0000000000000000, -0.0005521200000000 ] - [ 0.0001787400000000, 0.0000000000000000, 0.0002471600000000 ] - [ 0.0009341600000000, 0.0004471900000000, 0.0006678000000000 ] - [ 0.0009341600000000, -0.0004471900000000, 0.0006678000000000 ] - [ 0.0032448700000000, -0.0014679400000000, -0.0024201200000000 ] - [ 0.0058347800000000, 0.0000000000000000, -0.0013980600000000 ] - [ -0.0024135400000000, -0.0001248800000000, 0.0003713000000000 ] - [ 0.0010812100000000, 0.0000000000000000, 0.0017310900000000 ] - [ -0.0080961400000000, 0.0000000000000000, 0.0007346300000000 ] - [ 0.0019170400000000, -0.0013589300000000, -0.0031677100000000 ] - [ -0.0032202200000000, 0.0000000000000000, 0.0112362800000000 ] - [ -0.0132646700000000, -0.0097291800000000, -0.0014779700000000 ] - [ 0.0001329300000000, 0.0000000000000000, -0.0006942300000000 ] - [ 0.0019170400000000, 0.0013589300000000, -0.0031677100000000 ] - [ 0.0014896500000000, 0.0000000000000000, 0.0007896900000000 ] - [ -0.0132646700000000, 0.0097291800000000, -0.0014779700000000 ] - [ 0.0004725800000000, 0.0000000000000000, -0.0009065200000000 ] - [ -0.0000289000000000, -0.0000487000000000, -0.0001786200000000 ] - [ -0.0011215600000000, 0.0000000000000000, -0.0028644100000000 ] - [ -0.0007835600000000, -0.0000782000000000, -0.0004474100000000 ] - [ 0.0000669700000000, 0.0000000000000000, 0.0002528700000000 ] - [ 0.0000253100000000, 0.0000680800000000, 0.0002644200000000 ] - [ 0.0002124800000000, 0.0000000000000000, 0.0001777600000000 ] - [ 0.0011782500000000, -0.0006972100000000, 0.0008731000000000 ] - [ -0.0001192400000000, 0.0000000000000000, 0.0001075400000000 ] - [ -0.0000089400000000, -0.0000024400000000, 0.0001005500000000 ] - [ 0.0001073500000000, 0.0000000000000000, 0.0002520600000000 ] - [ 0.0001097900000000, 0.0000250400000000, 0.0002366200000000 ] - [ 0.0001145800000000, 0.0000000000000000, 0.0001055000000000 ] - [ -0.0000110600000000, 0.0000000300000000, 0.0000896600000000 ] - [ 0.0000088000000000, 0.0000000000000000, 0.0001618400000000 ] - [ 0.0001097900000000, -0.0000250400000000, 0.0002366200000000 ] - [ 0.0000041800000000, 0.0000000000000000, 0.0001217400000000 ] - [ 0.0000031600000000, 0.0000067300000000, -0.0000199600000000 ] - [ 0.0000322900000000, 0.0000000000000000, 0.0001991400000000 ] - [ 0.0001014500000000, 0.0000690400000000, 0.0001182000000000 ] - [ 0.0002125100000000, 0.0000000000000000, -0.0004259900000000 ] - [ 0.0000031600000000, -0.0000067300000000, -0.0000199600000000 ] - [ 0.0003014500000000, 0.0000000000000000, 0.0001035900000000 ] - [ 0.0001572600000000, -0.0000739400000000, 0.0001018200000000 ] - [ -0.0009538200000000, 0.0000000000000000, 0.0011451300000000 ] - [ -0.0001652800000000, 0.0000000000000000, 0.0002108800000000 ] - [ -0.0004955800000000, -0.0000653600000000, -0.0002475000000000 ] - [ -0.0004955800000000, 0.0000653600000000, -0.0002475000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000316100000000, -0.0001290800000000, -0.0000774300000000 ] - [ -0.0000825600000000, 0.0023195600000000, -0.0000205900000000 ] - [ -0.0000581300000000, -0.0000231800000000, -0.0000093600000000 ] - [ -0.0001007800000000, -0.0012573900000000, 0.0000411800000000 ] - [ -0.0000073000000000, 0.0000049700000000, -0.0000154100000000 ] - [ 0.0000347000000000, 0.0000457000000000, -0.0000041900000000 ] - [ 0.0000218800000000, -0.0000009000000000, 0.0000189500000000 ] - [ 0.0000016900000000, 0.0000008500000000, -0.0000301900000000 ] - [ -0.0000246900000000, -0.0001315200000000, -0.0000382900000000 ] - [ 0.0001221200000000, -0.0000116400000000, -0.0000215500000000 ] - [ 0.0000359000000000, -0.0000766200000000, -0.0000693000000000 ] - [ -0.0000946800000000, -0.0034467100000000, -0.0000231500000000 ] - [ -0.0000636800000000, 0.0012503900000000, -0.0000130600000000 ] - [ -0.0000705300000000, 0.0079189200000000, 0.0000753300000000 ] - [ -0.0000072000000000, 0.0000099600000000, -0.0000148600000000 ] - [ 0.0000353700000000, 0.0000293600000000, -0.0000037900000000 ] - [ 0.0000217800000000, -0.0000008400000000, 0.0000188900000000 ] - [ 0.0000014800000000, 0.0000013200000000, -0.0000298900000000 ] - [ -0.0000260200000000, -0.0000106900000000, -0.0000384200000000 ] - [ 0.0001222300000000, -0.0000127500000000, -0.0000220200000000 ] - [ 0.0000595800000000, 0.0039219800000000, -0.0000153400000000 ] - [ 0.0000792700000000, 0.0001212500000000, -0.0000057800000000 ] - [ 0.0010481600000000, -0.0000254200000000, 0.0008928100000000 ] - [ -0.0001517800000000, 0.0004125900000000, 0.0000633000000000 ] - [ -0.0010095500000000, 0.0002698000000000, -0.0009126100000000 ] - [ -0.0012353500000000, 0.0001256900000000, -0.0008192300000000 ] - [ 0.0000002300000000, -0.0000023600000000, 0.0000211200000000 ] - [ -0.0000447800000000, -0.0000124000000000, 0.0000261400000000 ] - [ -0.0000028300000000, -0.0000369200000000, -0.0000540800000000 ] - [ 0.0000519300000000, -0.0000004700000000, -0.0000626800000000 ] - [ -0.0003912800000000, 0.0062457400000000, 0.0000897100000000 ] - [ 0.0000177100000000, -0.0000413700000000, -0.0000154900000000 ] - [ 0.0000330800000000, 0.0000400700000000, -0.0000046600000000 ] - [ -0.0000606800000000, -0.0000099100000000, 0.0000303800000000 ] - [ 0.0001365700000000, -0.0000138100000000, -0.0000169600000000 ] - [ -0.0000402100000000, 0.0000369700000000, -0.0000068600000000 ] - [ 0.0001352300000000, 0.0000140600000000, -0.0000197200000000 ] - [ 0.0001513700000000, 0.0000033800000000, 0.0001131800000000 ] - [ 0.0000158500000000, -0.0000150000000000, -0.0000357900000000 ] - [ 0.0000477500000000, 0.0000033900000000, -0.0000115500000000 ] - [ 0.0000601600000000, -0.0002209700000000, -0.0000171800000000 ] - [ 0.0000856500000000, -0.0029677000000000, -0.0000089500000000 ] - [ -0.0112697000000000, 0.0269006300000000, 0.0200297300000000 ] - [ -0.0001530200000000, -0.0065788600000000, 0.0001056000000000 ] - [ 0.0105548500000000, 0.0260119900000000, -0.0188099700000000 ] - [ -0.0000658600000000, 0.0001599600000000, 0.0000309200000000 ] - [ 0.0000003100000000, -0.0000011900000000, 0.0000213400000000 ] - [ -0.0000452200000000, -0.0000686900000000, 0.0000273300000000 ] - [ 0.0011696100000000, -0.0000556500000000, 0.0008000200000000 ] - [ 0.0000518600000000, 0.0000002900000000, -0.0000627900000000 ] - [ -0.0001664800000000, -0.0056268500000000, 0.0000029900000000 ] - [ 0.0000125800000000, -0.0000420300000000, -0.0000182000000000 ] - [ 0.0000270600000000, 0.0000408100000000, -0.0000077800000000 ] - [ -0.0000636600000000, -0.0001787300000000, 0.0000313900000000 ] - [ 0.0001371300000000, -0.0000139100000000, -0.0000164700000000 ] - [ -0.0000412000000000, 0.0000277900000000, -0.0000070600000000 ] - [ 0.0001346200000000, 0.0000138400000000, -0.0000203800000000 ] - [ 0.0000336500000000, 0.0000129800000000, -0.0000481000000000 ] - [ -0.0000989000000000, -0.0000242200000000, -0.0002006500000000 ] - [ 0.0000472300000000, 0.0000008000000000, -0.0000112900000000 ] - [ 0.0001342900000000, 0.0000533400000000, -0.0003815500000000 ] - [ -0.0001010200000000, -0.0010682500000000, 0.0001432300000000 ] - [ -0.0026506600000000, 0.0023370600000000, -0.0056740900000000 ] - [ -0.0000255000000000, -0.0006107700000000, -0.0000114400000000 ] - [ 0.0008888600000000, -0.0933799800000000, -0.0014337800000000 ] - [ -0.0000207200000000, -0.0000275100000000, -0.0001710700000000 ] - [ 0.0000749100000000, 0.0009764700000000, -0.0001207900000000 ] - [ 0.0041365700000000, 0.0021117400000000, 0.0006371600000000 ] - [ -0.0001512600000000, 0.0000200700000000, 0.0000781900000000 ] - [ -0.0001064900000000, -0.0000037600000000, 0.0002600300000000 ] - [ -0.0000465300000000, -0.0008333400000000, 0.0000116900000000 ] - [ -0.0042317800000000, 0.0021268100000000, -0.0006665900000000 ] - [ -0.0000322700000000, 0.0000238800000000, -0.0000280400000000 ] - [ -0.0000150300000000, -0.0000620200000000, -0.0000543300000000 ] - [ -0.0000331800000000, -0.0015291500000000, -0.0000281400000000 ] - [ -0.0002145400000000, 0.0000635600000000, 0.0001190800000000 ] - [ 0.0000635100000000, -0.0000059200000000, 0.0000132000000000 ] - [ -0.0000278600000000, 0.0000552000000000, -0.0000997700000000 ] - [ -0.0000186000000000, -0.0000065100000000, 0.0000265400000000 ] - [ -0.0000346500000000, -0.0000990400000000, -0.0000104300000000 ] - [ -0.0000831800000000, 0.0000013600000000, 0.0000191100000000 ] - [ -0.0000265500000000, 0.0000120100000000, -0.0000326600000000 ] - [ -0.0000790900000000, 0.0000054400000000, -0.0000780500000000 ] - [ 0.0000359800000000, -0.0000003600000000, 0.0001046800000000 ] - [ 0.0001299200000000, -0.0000017600000000, -0.0000311800000000 ] - [ -0.0000266500000000, -0.0000123400000000, -0.0000351900000000 ] - [ 0.0000101700000000, -0.0000004300000000, 0.0000406300000000 ] - [ 0.0000364100000000, 0.0000005400000000, 0.0001005500000000 ] - [ 0.0000429700000000, 0.0000017500000000, 0.0000105700000000 ] - [ -0.0000030400000000, 0.0000179900000000, 0.0000273900000000 ] - [ 0.0000262900000000, 0.0000003300000000, 0.0000197500000000 ] - [ 0.0001101900000000, 0.0000564300000000, -0.0000176200000000 ] - [ -0.0000181000000000, 0.0000181700000000, 0.0001243200000000 ] - [ 0.0000410700000000, -0.0000141100000000, -0.0000256600000000 ] - [ 0.0001611600000000, 0.0000047500000000, -0.0000402600000000 ] - [ 0.0001121700000000, -0.0000558700000000, -0.0000244600000000 ] - [ -0.0000108100000000, 0.0005402100000000, 0.0001139200000000 ] - [ 0.0000197500000000, 0.0000238800000000, -0.0000073900000000 ] - [ -0.0001784400000000, -0.0000077700000000, 0.0003252000000000 ] - [ 0.0002738400000000, -0.0000564300000000, -0.0002695200000000 ] - [ 0.0026385800000000, 0.0026040700000000, 0.0057208000000000 ] - [ -0.0000873800000000, 0.0232944300000000, 0.0001355300000000 ] - [ -0.0001821300000000, -0.0002195200000000, 0.0003713600000000 ] - [ -0.0000247000000000, 0.0017415900000000, -0.0000216000000000 ] - [ -0.0000768800000000, 0.0013696700000000, -0.0000386900000000 ] - [ 0.0017568400000000, 0.0018010200000000, 0.0049241300000000 ] - [ 0.0000773500000000, -0.0058285300000000, -0.0001289100000000 ] - [ 0.0091107300000000, 0.0034796500000000, 0.0009305000000000 ] - [ -0.0001517600000000, -0.0006707400000000, 0.0000757500000000 ] - [ -0.0018936800000000, 0.0018012700000000, -0.0048638700000000 ] - [ -0.0000399000000000, 0.0004227600000000, 0.0000047400000000 ] - [ -0.0092982500000000, 0.0034555700000000, -0.0009687800000000 ] - [ -0.0000294600000000, 0.0006171100000000, -0.0000319000000000 ] - [ 0.0000092000000000, -0.0000697700000000, -0.0000356800000000 ] - [ -0.0000230700000000, 0.0009470800000000, -0.0000502200000000 ] - [ 0.0000498300000000, 0.0001216100000000, 0.0000440600000000 ] - [ 0.0000632100000000, -0.0000020800000000, 0.0000132500000000 ] - [ -0.0000030800000000, 0.0000629400000000, -0.0000796900000000 ] - [ -0.0000179900000000, 0.0000050900000000, 0.0000265000000000 ] - [ 0.0002344400000000, -0.0001602300000000, -0.0000837200000000 ] - [ -0.0000833500000000, 0.0000044400000000, 0.0000190500000000 ] - [ -0.0000264500000000, 0.0000119500000000, -0.0000326500000000 ] - [ -0.0000784000000000, -0.0000050500000000, -0.0000780400000000 ] - [ 0.0000347200000000, -0.0000007300000000, 0.0001041700000000 ] - [ 0.0001300600000000, -0.0000038700000000, -0.0000310000000000 ] - [ -0.0000267700000000, -0.0000124500000000, -0.0000352700000000 ] - [ 0.0000101400000000, -0.0000002200000000, 0.0000406100000000 ] - [ 0.0000381600000000, 0.0000001900000000, 0.0001011700000000 ] - [ 0.0000434800000000, 0.0000040300000000, 0.0000105800000000 ] - [ 0.0000408700000000, 0.0000147600000000, 0.0000363600000000 ] - [ 0.0000264000000000, 0.0000001400000000, 0.0000197100000000 ] - [ 0.0001089400000000, 0.0000558800000000, -0.0000184900000000 ] - [ -0.0000175300000000, -0.0003488900000000, 0.0001276400000000 ] - [ -0.0000016500000000, -0.0000172400000000, -0.0000332800000000 ] - [ 0.0001604500000000, -0.0000228700000000, -0.0000398200000000 ] - [ 0.0001111200000000, -0.0000554900000000, -0.0000250100000000 ] - [ -0.0000096200000000, 0.0000164800000000, 0.0001097700000000 ] - [ 0.0000204100000000, -0.0000070700000000, -0.0000077400000000 ] - [ 0.0000627500000000, 0.0000303300000000, 0.0000017700000000 ] - [ 0.0000381100000000, -0.0000202300000000, 0.0000544000000000 ]- atom: 65 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0008773200000000, 0.0000000000000000, 0.0001239400000000 ] - [ 0.0021202600000000, 0.0000000000000000, 0.0039399100000000 ] - [ -0.0001893600000000, 0.0000000000000000, 0.0001265500000000 ] - [ 0.0002740700000000, 0.0000000000000000, 0.0024006300000000 ] - [ 0.0000174400000000, 0.0000000000000000, -0.0008205600000000 ] - [ 0.0002125100000000, 0.0000000000000000, -0.0011455800000000 ] - [ -0.0000033500000000, 0.0000000000000000, -0.0007926300000000 ] - [ -0.0000388000000000, 0.0000000000000000, -0.0009760600000000 ] - [ 0.0004897000000000, 0.0000000000000000, -0.0010445100000000 ] - [ 0.0001652900000000, 0.0000000000000000, -0.0009308400000000 ] - [ 0.0003208100000000, 0.0000000000000000, -0.0032397900000000 ] - [ -0.0021958300000000, 0.0000000000000000, 0.0042875100000000 ] - [ 0.0001466900000000, 0.0000000000000000, -0.0032025600000000 ] - [ 0.0042894500000000, 0.0000000000000000, 0.0139083100000000 ] - [ -0.0000564600000000, 0.0000000000000000, -0.0009009400000000 ] - [ -0.0004469700000000, 0.0000000000000000, -0.0008817300000000 ] - [ 0.0000295400000000, 0.0000000000000000, -0.0008337600000000 ] - [ -0.0000272700000000, 0.0000000000000000, -0.0010058100000000 ] - [ -0.0005240000000000, 0.0000000000000000, -0.0006331700000000 ] - [ 0.0000462100000000, 0.0000000000000000, -0.0010520900000000 ] - [ -0.0050019100000000, 0.0000000000000000, -0.0031637500000000 ] - [ 0.0005002900000000, 0.0000000000000000, 0.0002242300000000 ] - [ 0.0000389000000000, -0.0000210500000000, 0.0033081300000000 ] - [ -0.0003284600000000, 0.0000000000000000, 0.0029571700000000 ] - [ 0.0000389000000000, 0.0000210500000000, 0.0033081300000000 ] - [ -0.0031040600000000, 0.0002201500000000, -0.0010065800000000 ] - [ 0.0000759100000000, 0.0000000000000000, -0.0013294000000000 ] - [ 0.0001625100000000, 0.0000000000000000, -0.0010033400000000 ] - [ 0.0017458700000000, -0.0018179500000000, -0.0008813000000000 ] - [ 0.0000890800000000, 0.0000000000000000, -0.0014454400000000 ] - [ -0.0072364800000000, 0.0000000000000000, 0.0120020800000000 ] - [ 0.0000924400000000, 0.0000468700000000, -0.0013853300000000 ] - [ -0.0001196100000000, -0.0000363400000000, -0.0012509600000000 ] - [ 0.0001912800000000, 0.0000000000000000, -0.0008812000000000 ] - [ 0.0001389600000000, 0.0000420900000000, -0.0013087200000000 ] - [ 0.0002271700000000, 0.0000000000000000, -0.0014943200000000 ] - [ 0.0001389600000000, -0.0000420900000000, -0.0013087200000000 ] - [ -0.0001576100000000, -0.0001191000000000, -0.0019372400000000 ] - [ 0.0002814100000000, 0.0001007800000000, -0.0009441900000000 ] - [ 0.0001201300000000, 0.0000000000000000, -0.0015574500000000 ] - [ 0.0016666000000000, 0.0000000000000000, 0.0002834400000000 ] - [ 0.0022547200000000, 0.0000000000000000, -0.0030654000000000 ] - [ -0.0082905300000000, 0.0190269900000000, 0.0278614900000000 ] - [ 0.0022256100000000, 0.0000000000000000, 0.0044326600000000 ] - [ -0.0082905300000000, -0.0190269900000000, 0.0278614900000000 ] - [ 0.0017458700000000, 0.0018179500000000, -0.0008813000000000 ] - [ 0.0000168800000000, 0.0000000000000000, -0.0013862900000000 ] - [ -0.0001285800000000, 0.0000000000000000, -0.0016347000000000 ] - [ -0.0031040600000000, -0.0002201500000000, -0.0010065800000000 ] - [ 0.0000972000000000, 0.0000000000000000, -0.0014329200000000 ] - [ -0.0006115200000000, 0.0000000000000000, 0.0033912300000000 ] - [ -0.0001196100000000, 0.0000363400000000, -0.0012509600000000 ] - [ 0.0000924400000000, -0.0000468700000000, -0.0013853300000000 ] - [ 0.0003457700000000, 0.0000000000000000, -0.0019085800000000 ] - [ 0.0000728800000000, 0.0000529200000000, -0.0013454700000000 ] - [ -0.0003064100000000, 0.0000000000000000, -0.0013637200000000 ] - [ 0.0000728800000000, -0.0000529200000000, -0.0013454700000000 ] - [ 0.0002814100000000, -0.0001007800000000, -0.0009441900000000 ] - [ -0.0001576100000000, 0.0001191000000000, -0.0019372400000000 ] - [ 0.0000458300000000, 0.0000000000000000, -0.0012689100000000 ] - [ -0.0010757600000000, -0.0000913600000000, -0.0012315200000000 ] - [ -0.0000697400000000, 0.0000000000000000, -0.0024642200000000 ] - [ 0.0032019000000000, -0.0045525000000000, 0.0048819700000000 ] - [ 0.0015958600000000, 0.0000000000000000, -0.0014260700000000 ] - [ 0.0192038100000000, 0.0000000000000000, -0.0920156700000000 ] - [ -0.0006954000000000, -0.0001604500000000, -0.0011060500000000 ] - [ 0.0012431100000000, 0.0000000000000000, -0.0020624300000000 ] - [ -0.0004507700000000, -0.0003711600000000, -0.0035720500000000 ] - [ -0.0004602700000000, 0.0000000000000000, 0.0004463100000000 ] - [ -0.0006954000000000, 0.0001604500000000, -0.0011060500000000 ] - [ 0.0019934300000000, 0.0000000000000000, -0.0009181200000000 ] - [ -0.0004507700000000, 0.0003711600000000, -0.0035720500000000 ] - [ -0.0010598000000000, 0.0000000000000000, 0.0009960600000000 ] - [ -0.0000354700000000, -0.0000914100000000, 0.0006910800000000 ] - [ -0.0050861000000000, 0.0000000000000000, 0.0051697200000000 ] - [ -0.0002025800000000, 0.0004557100000000, 0.0011945800000000 ] - [ 0.0000506600000000, 0.0000000000000000, 0.0011577400000000 ] - [ 0.0002504200000000, 0.0001605700000000, 0.0008107200000000 ] - [ -0.0000849000000000, 0.0000000000000000, 0.0006871700000000 ] - [ 0.0002887500000000, -0.0000793200000000, 0.0002775000000000 ] - [ -0.0002730600000000, 0.0000000000000000, 0.0008657700000000 ] - [ 0.0000754200000000, -0.0000726300000000, 0.0007682200000000 ] - [ -0.0001454300000000, 0.0000000000000000, 0.0009207800000000 ] - [ 0.0001239500000000, 0.0000831000000000, 0.0008681900000000 ] - [ 0.0000465000000000, 0.0000000000000000, 0.0011144700000000 ] - [ 0.0000828600000000, 0.0000735100000000, 0.0007681800000000 ] - [ -0.0001486400000000, 0.0000000000000000, 0.0008569000000000 ] - [ 0.0001239500000000, -0.0000831000000000, 0.0008681900000000 ] - [ -0.0001666000000000, 0.0000000000000000, 0.0008623000000000 ] - [ -0.0000869800000000, -0.0000256200000000, 0.0007580900000000 ] - [ -0.0000354400000000, 0.0000000000000000, 0.0011372700000000 ] - [ 0.0002379900000000, 0.0001567200000000, 0.0008353000000000 ] - [ -0.0004237800000000, 0.0000000000000000, 0.0005078100000000 ] - [ -0.0000869800000000, 0.0000256200000000, 0.0007580900000000 ] - [ 0.0000764400000000, 0.0000000000000000, 0.0005626000000000 ] - [ 0.0001889900000000, -0.0001327500000000, 0.0007290200000000 ] - [ 0.0007755100000000, 0.0000000000000000, 0.0018990300000000 ] - [ -0.0000746200000000, 0.0000000000000000, 0.0014482500000000 ] - [ -0.0001103400000000, 0.0002289500000000, 0.0014939400000000 ] - [ -0.0001103400000000, -0.0002289500000000, 0.0014939400000000 ] - [ 0.0032019000000000, 0.0045525000000000, 0.0048819700000000 ] - [ 0.0005939300000000, 0.0000000000000000, -0.0080474600000000 ] - [ -0.0010757600000000, 0.0000913600000000, -0.0012315200000000 ] - [ -0.0015325900000000, 0.0000000000000000, -0.0007813800000000 ] - [ 0.0003090000000000, 0.0000000000000000, -0.0018699700000000 ] - [ 0.0034399600000000, 0.0050906000000000, 0.0065049500000000 ] - [ -0.0083598200000000, 0.0000000000000000, 0.0065979400000000 ] - [ 0.0003210700000000, 0.0008124000000000, -0.0058960500000000 ] - [ 0.0003205700000000, 0.0000000000000000, 0.0017337700000000 ] - [ 0.0034399600000000, -0.0050906000000000, 0.0065049500000000 ] - [ -0.0010357700000000, 0.0000000000000000, -0.0010345500000000 ] - [ 0.0003210700000000, -0.0008124000000000, -0.0058960500000000 ] - [ 0.0005925100000000, 0.0000000000000000, 0.0015302800000000 ] - [ 0.0002504200000000, -0.0001605700000000, 0.0008107200000000 ] - [ 0.0013243900000000, 0.0000000000000000, -0.0020172600000000 ] - [ 0.0002887500000000, 0.0000793200000000, 0.0002775000000000 ] - [ -0.0000155500000000, 0.0000000000000000, 0.0011525000000000 ] - [ -0.0000354700000000, 0.0000914100000000, 0.0006910800000000 ] - [ -0.0002191600000000, 0.0000000000000000, 0.0009681600000000 ] - [ -0.0002025800000000, -0.0004557100000000, 0.0011945800000000 ] - [ -0.0002017200000000, 0.0000000000000000, 0.0008529700000000 ] - [ 0.0000828600000000, -0.0000735100000000, 0.0007681800000000 ] - [ -0.0001583600000000, 0.0000000000000000, 0.0012657900000000 ] - [ 0.0001583900000000, 0.0000972300000000, 0.0009408600000000 ] - [ 0.0001215700000000, 0.0000000000000000, 0.0011164500000000 ] - [ 0.0000754200000000, 0.0000726300000000, 0.0007682200000000 ] - [ -0.0001296900000000, 0.0000000000000000, 0.0008881400000000 ] - [ 0.0001583900000000, -0.0000972300000000, 0.0009408600000000 ] - [ -0.0000515000000000, 0.0000000000000000, 0.0008428500000000 ] - [ 0.0003503700000000, -0.0000547400000000, 0.0009000900000000 ] - [ -0.0000138700000000, 0.0000000000000000, 0.0011866300000000 ] - [ 0.0001889900000000, 0.0001327500000000, 0.0007290200000000 ] - [ 0.0004953300000000, 0.0000000000000000, 0.0015138800000000 ] - [ 0.0003503700000000, 0.0000547400000000, 0.0009000900000000 ] - [ -0.0000242900000000, 0.0000000000000000, 0.0009692200000000 ] - [ 0.0002379900000000, -0.0001567200000000, 0.0008353000000000 ] - [ -0.0010230000000000, 0.0000000000000000, 0.0010463900000000 ] - [ -0.0000573200000000, 0.0000000000000000, 0.0009260900000000 ] - [ 0.0002137000000000, 0.0000092500000000, 0.0001389800000000 ] - [ 0.0002137000000000, -0.0000092500000000, 0.0001389800000000 ]- atom: 65 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0009384300000000, 0.0000000000000000, -0.0002743000000000 ] - [ -0.0022756000000000, 0.0000000000000000, -0.0039475500000000 ] - [ 0.0000728600000000, 0.0000000000000000, -0.0001492500000000 ] - [ -0.0004695700000000, 0.0000000000000000, -0.0023374000000000 ] - [ -0.0000321100000000, 0.0000000000000000, 0.0007901000000000 ] - [ -0.0001431300000000, 0.0000000000000000, 0.0011395600000000 ] - [ 0.0000471700000000, 0.0000000000000000, 0.0008314500000000 ] - [ 0.0000423000000000, 0.0000000000000000, 0.0009162400000000 ] - [ -0.0005372100000000, 0.0000000000000000, 0.0009679000000000 ] - [ 0.0000791300000000, 0.0000000000000000, 0.0008881300000000 ] - [ -0.0002520300000000, 0.0000000000000000, 0.0030804600000000 ] - [ 0.0020323900000000, 0.0000000000000000, -0.0042815100000000 ] - [ -0.0002690500000000, 0.0000000000000000, 0.0032032600000000 ] - [ -0.0053864700000000, 0.0000000000000000, -0.0143881700000000 ] - [ 0.0000426600000000, 0.0000000000000000, 0.0008718400000000 ] - [ 0.0005196800000000, 0.0000000000000000, 0.0008744500000000 ] - [ 0.0000140700000000, 0.0000000000000000, 0.0008723400000000 ] - [ 0.0000301800000000, 0.0000000000000000, 0.0009458700000000 ] - [ 0.0004717400000000, 0.0000000000000000, 0.0005579300000000 ] - [ 0.0001979900000000, 0.0000000000000000, 0.0010084700000000 ] - [ 0.0050849700000000, 0.0000000000000000, 0.0031017200000000 ] - [ -0.0003348900000000, 0.0000000000000000, -0.0002282100000000 ] - [ 0.0000083000000000, -0.0002712700000000, -0.0033083000000000 ] - [ 0.0000223700000000, 0.0000000000000000, -0.0028472800000000 ] - [ 0.0000083000000000, 0.0002712700000000, -0.0033083000000000 ] - [ 0.0030492500000000, -0.0000418800000000, 0.0009844500000000 ] - [ -0.0000750600000000, 0.0000000000000000, 0.0013725900000000 ] - [ -0.0002535300000000, 0.0000000000000000, 0.0010538100000000 ] - [ -0.0018217900000000, 0.0016401400000000, 0.0008554100000000 ] - [ 0.0000142400000000, 0.0000000000000000, 0.0013202200000000 ] - [ 0.0066270800000000, 0.0000000000000000, -0.0118169000000000 ] - [ -0.0000480300000000, -0.0001295300000000, 0.0013628800000000 ] - [ 0.0001654000000000, 0.0001189000000000, 0.0012282600000000 ] - [ -0.0003151600000000, 0.0000000000000000, 0.0009409600000000 ] - [ 0.0001329100000000, -0.0000699300000000, 0.0012728100000000 ] - [ -0.0003077000000000, 0.0000000000000000, 0.0014805400000000 ] - [ 0.0001329100000000, 0.0000699300000000, 0.0012728100000000 ] - [ 0.0002080700000000, 0.0001447400000000, 0.0018491600000000 ] - [ -0.0002303800000000, -0.0001263300000000, 0.0008614100000000 ] - [ -0.0000239600000000, 0.0000000000000000, 0.0015347900000000 ] - [ -0.0015464100000000, 0.0000000000000000, -0.0003095900000000 ] - [ -0.0020700700000000, 0.0000000000000000, 0.0030474900000000 ] - [ 0.0078923500000000, -0.0186065400000000, -0.0275364700000000 ] - [ -0.0025492400000000, 0.0000000000000000, -0.0043449500000000 ] - [ 0.0078923500000000, 0.0186065400000000, -0.0275364700000000 ] - [ -0.0018217900000000, -0.0016401400000000, 0.0008554100000000 ] - [ -0.0000156000000000, 0.0000000000000000, 0.0014300300000000 ] - [ 0.0000384400000000, 0.0000000000000000, 0.0016895600000000 ] - [ 0.0030492500000000, 0.0000418800000000, 0.0009844500000000 ] - [ 0.0000059200000000, 0.0000000000000000, 0.0013077200000000 ] - [ 0.0002666100000000, 0.0000000000000000, -0.0034074300000000 ] - [ 0.0001654000000000, -0.0001189000000000, 0.0012282600000000 ] - [ -0.0000480300000000, 0.0001295300000000, 0.0013628800000000 ] - [ -0.0004745900000000, 0.0000000000000000, 0.0019744400000000 ] - [ 0.0001987500000000, -0.0000807400000000, 0.0013094600000000 ] - [ 0.0002230400000000, 0.0000000000000000, 0.0013504200000000 ] - [ 0.0001987500000000, 0.0000807400000000, 0.0013094600000000 ] - [ -0.0002303800000000, 0.0001263300000000, 0.0008614100000000 ] - [ 0.0002080700000000, -0.0001447400000000, 0.0018491600000000 ] - [ 0.0000492800000000, 0.0000000000000000, 0.0012476200000000 ] - [ 0.0010221100000000, 0.0003606100000000, 0.0012120600000000 ] - [ -0.0001307900000000, 0.0000000000000000, 0.0027516900000000 ] - [ -0.0032153500000000, 0.0042177000000000, -0.0048359200000000 ] - [ -0.0016444000000000, 0.0000000000000000, 0.0013941100000000 ] - [ -0.0172350900000000, 0.0000000000000000, 0.0916367400000000 ] - [ 0.0005714100000000, 0.0001395200000000, 0.0012041300000000 ] - [ -0.0010908500000000, 0.0000000000000000, 0.0018076700000000 ] - [ 0.0003072400000000, 0.0003503800000000, 0.0035410200000000 ] - [ 0.0001577300000000, 0.0000000000000000, -0.0002841800000000 ] - [ 0.0005714100000000, -0.0001395200000000, 0.0012041300000000 ] - [ -0.0020948400000000, 0.0000000000000000, 0.0009490300000000 ] - [ 0.0003072400000000, -0.0003503800000000, 0.0035410200000000 ] - [ 0.0010019200000000, 0.0000000000000000, -0.0010579000000000 ] - [ 0.0000178100000000, -0.0000337500000000, -0.0008253500000000 ] - [ 0.0050849300000000, 0.0000000000000000, -0.0052991600000000 ] - [ 0.0002224400000000, -0.0002344800000000, -0.0011616700000000 ] - [ 0.0000765400000000, 0.0000000000000000, -0.0011311700000000 ] - [ -0.0002696100000000, -0.0000355900000000, -0.0009465800000000 ] - [ 0.0000477400000000, 0.0000000000000000, -0.0006334000000000 ] - [ -0.0002734800000000, -0.0001424500000000, -0.0002410300000000 ] - [ 0.0001064400000000, 0.0000000000000000, -0.0008282400000000 ] - [ -0.0001288100000000, 0.0000975400000000, -0.0008366200000000 ] - [ -0.0000126500000000, 0.0000000000000000, -0.0010781000000000 ] - [ -0.0000515000000000, -0.0000837900000000, -0.0006631900000000 ] - [ 0.0002137600000000, 0.0000000000000000, -0.0011766200000000 ] - [ -0.0001360200000000, -0.0000983400000000, -0.0008366100000000 ] - [ 0.0001695900000000, 0.0000000000000000, -0.0007759600000000 ] - [ -0.0000515000000000, 0.0000837900000000, -0.0006631900000000 ] - [ 0.0002515900000000, 0.0000000000000000, -0.0008414400000000 ] - [ 0.0001245800000000, 0.0000588400000000, -0.0007565400000000 ] - [ 0.0000876700000000, 0.0000000000000000, -0.0010988100000000 ] - [ -0.0000163600000000, -0.0000441700000000, -0.0008780900000000 ] - [ 0.0003884100000000, 0.0000000000000000, -0.0002625700000000 ] - [ 0.0001245800000000, -0.0000588400000000, -0.0007565400000000 ] - [ 0.0002465400000000, 0.0000000000000000, -0.0006437800000000 ] - [ 0.0000321300000000, 0.0000205500000000, -0.0007723400000000 ] - [ -0.0007938300000000, 0.0000000000000000, -0.0016683600000000 ] - [ 0.0001139400000000, 0.0000000000000000, -0.0014623500000000 ] - [ 0.0002073100000000, -0.0001773300000000, -0.0014356100000000 ] - [ 0.0002073100000000, 0.0001773300000000, -0.0014356100000000 ] - [ -0.0032153500000000, -0.0042177000000000, -0.0048359200000000 ] - [ -0.0007889900000000, 0.0000000000000000, 0.0083342600000000 ] - [ 0.0010221100000000, -0.0003606100000000, 0.0012120600000000 ] - [ 0.0014795100000000, 0.0000000000000000, 0.0007303600000000 ] - [ -0.0004651700000000, 0.0000000000000000, 0.0017924500000000 ] - [ -0.0036048800000000, -0.0051727400000000, -0.0064922300000000 ] - [ 0.0083763400000000, 0.0000000000000000, -0.0067426300000000 ] - [ -0.0004014700000000, -0.0007910300000000, 0.0058737100000000 ] - [ -0.0006250800000000, 0.0000000000000000, -0.0015808800000000 ] - [ -0.0036048800000000, 0.0051727400000000, -0.0064922300000000 ] - [ 0.0009509700000000, 0.0000000000000000, 0.0010641900000000 ] - [ -0.0004014700000000, 0.0007910300000000, 0.0058737100000000 ] - [ -0.0006560000000000, 0.0000000000000000, -0.0016001700000000 ] - [ -0.0002696100000000, 0.0000355900000000, -0.0009465800000000 ] - [ -0.0013781800000000, 0.0000000000000000, 0.0019329200000000 ] - [ -0.0002734800000000, 0.0001424500000000, -0.0002410300000000 ] - [ 0.0001424500000000, 0.0000000000000000, -0.0011258700000000 ] - [ 0.0000178100000000, 0.0000337500000000, -0.0008253500000000 ] - [ 0.0001834100000000, 0.0000000000000000, -0.0009156300000000 ] - [ 0.0002224400000000, 0.0002344800000000, -0.0011616700000000 ] - [ 0.0000342600000000, 0.0000000000000000, -0.0008154700000000 ] - [ -0.0001360200000000, 0.0000983400000000, -0.0008366100000000 ] - [ 0.0000014000000000, 0.0000000000000000, -0.0014243900000000 ] - [ -0.0000855500000000, -0.0000979100000000, -0.0007359800000000 ] - [ 0.0001390900000000, 0.0000000000000000, -0.0011785200000000 ] - [ -0.0001288100000000, -0.0000975400000000, -0.0008366200000000 ] - [ 0.0001506000000000, 0.0000000000000000, -0.0008072300000000 ] - [ -0.0000855500000000, 0.0000979100000000, -0.0007359800000000 ] - [ 0.0001379900000000, 0.0000000000000000, -0.0008222600000000 ] - [ -0.0003106500000000, 0.0000878200000000, -0.0008975100000000 ] - [ 0.0000663700000000, 0.0000000000000000, -0.0011484200000000 ] - [ 0.0000321300000000, -0.0000205500000000, -0.0007723400000000 ] - [ -0.0005280400000000, 0.0000000000000000, -0.0012616400000000 ] - [ -0.0003106500000000, -0.0000878200000000, -0.0008975100000000 ] - [ 0.0003462200000000, 0.0000000000000000, -0.0010483400000000 ] - [ -0.0000163600000000, 0.0000441700000000, -0.0008780900000000 ] - [ 0.0009962400000000, 0.0000000000000000, -0.0008227000000000 ] - [ 0.0000971600000000, 0.0000000000000000, -0.0009420300000000 ] - [ -0.0001132200000000, 0.0000416000000000, -0.0000859900000000 ] - [ -0.0001132200000000, -0.0000416000000000, -0.0000859900000000 ]- atom: 66 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0001707800000000, -0.0000154000000000, -0.0000829500000000 ] - [ -0.0008431500000000, -0.0000569100000000, -0.0009944900000000 ] - [ 0.0114950600000000, 0.0007182700000000, -0.0007926800000000 ] - [ 0.0124979700000000, -0.0033982200000000, -0.0029278300000000 ] - [ 0.0005551400000000, 0.0000500000000000, -0.0004277000000000 ] - [ -0.0007269400000000, 0.0000761200000000, -0.0012576800000000 ] - [ 0.0000423600000000, 0.0000003000000000, -0.0001184200000000 ] - [ 0.0000767600000000, -0.0000019300000000, -0.0001151200000000 ] - [ -0.0001288600000000, 0.0000046900000000, -0.0001443500000000 ] - [ 0.0001256400000000, -0.0000000400000000, -0.0001722700000000 ] - [ -0.0001272500000000, -0.0000195700000000, -0.0002234800000000 ] - [ -0.0005540000000000, 0.0007100500000000, 0.0012382800000000 ] - [ -0.0038387800000000, 0.0001904200000000, -0.0009549400000000 ] - [ -0.0032936900000000, -0.0000974900000000, -0.0011378700000000 ] - [ -0.0004310500000000, -0.0000636400000000, 0.0001197300000000 ] - [ -0.0004447200000000, -0.0009236200000000, 0.0015435400000000 ] - [ 0.0000016200000000, -0.0000002700000000, -0.0000705500000000 ] - [ -0.0000946400000000, -0.0000030300000000, -0.0001943800000000 ] - [ 0.0000574600000000, -0.0000019300000000, -0.0001542300000000 ] - [ 0.0001121600000000, 0.0000002100000000, -0.0001360900000000 ] - [ 0.0002853800000000, -0.0001176200000000, 0.0003763100000000 ] - [ 0.0005444300000000, -0.0000678200000000, -0.0005571400000000 ] - [ 0.0030910700000000, 0.0003682000000000, -0.0010214400000000 ] - [ 0.0227495400000000, -0.0276286900000000, 0.0102726400000000 ] - [ 0.0038843100000000, -0.0002763800000000, -0.0005680200000000 ] - [ -0.0036234400000000, 0.0007343000000000, 0.0038020800000000 ] - [ 0.0002423600000000, 0.0000019200000000, -0.0002926600000000 ] - [ 0.0009696300000000, -0.0005712100000000, -0.0027223100000000 ] - [ 0.0035518300000000, 0.0005201600000000, -0.0018037400000000 ] - [ 0.0000332500000000, 0.0000014600000000, -0.0001214200000000 ] - [ -0.0021088600000000, -0.0020713800000000, 0.0057011400000000 ] - [ -0.0005143900000000, 0.0000250500000000, -0.0006013900000000 ] - [ 0.0002859200000000, 0.0001927200000000, 0.0002039100000000 ] - [ 0.0050797300000000, 0.0024005400000000, 0.0024600700000000 ] - [ 0.0001667700000000, -0.0000075700000000, -0.0001960500000000 ] - [ -0.0000915200000000, 0.0000000900000000, -0.0001964200000000 ] - [ 0.0001657200000000, 0.0000077600000000, -0.0001977400000000 ] - [ -0.0000167500000000, 0.0000293100000000, -0.0001226700000000 ] - [ 0.0000796500000000, -0.0000255600000000, -0.0003360900000000 ] - [ 0.0000356300000000, -0.0000001700000000, -0.0001674400000000 ] - [ -0.0003320300000000, 0.0001255700000000, -0.0005841000000000 ] - [ -0.0002644000000000, 0.0000712200000000, 0.0000838300000000 ] - [ -0.0017138000000000, -0.0001864200000000, 0.0001013000000000 ] - [ -0.0073953200000000, -0.0005999900000000, 0.0018320200000000 ] - [ -0.0015261700000000, 0.0001767300000000, 0.0001803900000000 ] - [ 0.0385474500000000, 0.0038074500000000, 0.0204623100000000 ] - [ -0.0002015600000000, 0.0000139300000000, -0.0000453700000000 ] - [ -0.0011706300000000, 0.0002086200000000, 0.0010455600000000 ] - [ -0.0069321000000000, -0.0006569000000000, 0.0030762900000000 ] - [ 0.0000814300000000, -0.0000034200000000, -0.0004030200000000 ] - [ -0.0030243400000000, -0.0012614500000000, -0.0044817300000000 ] - [ 0.0003966900000000, -0.0001925500000000, 0.0003827600000000 ] - [ -0.0004152600000000, -0.0000320500000000, -0.0005329500000000 ] - [ -0.0030292700000000, -0.0000647700000000, -0.0007197700000000 ] - [ 0.0000938200000000, -0.0000056500000000, -0.0001939600000000 ] - [ 0.0000147200000000, 0.0000002900000000, -0.0001960800000000 ] - [ 0.0000940600000000, 0.0000057700000000, -0.0001951100000000 ] - [ 0.0000825100000000, 0.0000254300000000, -0.0003276000000000 ] - [ -0.0000073900000000, -0.0000289100000000, -0.0001133500000000 ] - [ 0.0000706200000000, 0.0000001500000000, -0.0002290000000000 ] - [ 0.0002532000000000, -0.0000640100000000, 0.0010792600000000 ] - [ -0.0015704000000000, -0.0018508600000000, 0.0049760800000000 ] - [ 0.0000825400000000, -0.0001799600000000, -0.0003250500000000 ] - [ -0.0010505200000000, 0.0002355200000000, -0.0000025000000000 ] - [ 0.0018866000000000, 0.0000429800000000, -0.0009607400000000 ] - [ -0.1077211100000000, 0.0336378900000000, -0.0293053800000000 ] - [ -0.0008628300000000, -0.0003545800000000, -0.0004487500000000 ] - [ 0.0004064100000000, -0.0001432000000000, -0.0067283300000000 ] - [ -0.0029391800000000, -0.0042677500000000, 0.0064680100000000 ] - [ -0.0066897600000000, -0.0026254400000000, -0.0012557300000000 ] - [ 0.0091945700000000, -0.0042635000000000, -0.0017884600000000 ] - [ -0.0018247400000000, 0.0000177700000000, -0.0018725700000000 ] - [ -0.0032975900000000, 0.0034073900000000, 0.0040790700000000 ] - [ 0.0003088900000000, -0.0002624000000000, 0.0011275500000000 ] - [ 0.0069511000000000, 0.0067426400000000, -0.0014429400000000 ] - [ 0.0018627600000000, 0.0002570900000000, 0.0016455500000000 ] - [ 0.0000055900000000, 0.0000185100000000, -0.0000440500000000 ] - [ 0.0001071400000000, 0.0000216000000000, -0.0005427800000000 ] - [ -0.0011749200000000, 0.0002182400000000, -0.0000221200000000 ] - [ -0.0015122600000000, 0.0002680300000000, -0.0018613700000000 ] - [ -0.0000871500000000, 0.0000252900000000, 0.0003468400000000 ] - [ -0.0000393300000000, 0.0000091600000000, 0.0000295300000000 ] - [ -0.0008434800000000, -0.0001850300000000, -0.0006014200000000 ] - [ -0.0001837800000000, -0.0000375300000000, 0.0001631700000000 ] - [ 0.0001214600000000, 0.0000000300000000, 0.0001225500000000 ] - [ 0.0000190400000000, 0.0000131700000000, 0.0001236900000000 ] - [ -0.0000671500000000, 0.0000017900000000, 0.0001790000000000 ] - [ -0.0001526700000000, 0.0000321500000000, 0.0001769100000000 ] - [ 0.0000272200000000, 0.0000001300000000, 0.0001196700000000 ] - [ 0.0000724100000000, -0.0000038000000000, 0.0001431200000000 ] - [ -0.0000158900000000, -0.0000013600000000, 0.0001900800000000 ] - [ 0.0001304500000000, 0.0000644300000000, 0.0000723800000000 ] - [ 0.0000367200000000, -0.0000180200000000, 0.0004806100000000 ] - [ 0.0000685000000000, 0.0000030100000000, 0.0001418700000000 ] - [ 0.0001058100000000, 0.0000006600000000, 0.0001033000000000 ] - [ 0.0001167000000000, -0.0000663200000000, 0.0001007900000000 ] - [ -0.0000508500000000, -0.0000077600000000, 0.0000870500000000 ] - [ 0.0000374100000000, -0.0000020300000000, 0.0001041000000000 ] - [ 0.0001783300000000, 0.0000401900000000, 0.0000671600000000 ] - [ 0.0001671900000000, -0.0000378700000000, 0.0000982300000000 ] - [ 0.0002919900000000, 0.0001429900000000, -0.0005936900000000 ] - [ 0.0013202500000000, -0.0000354500000000, -0.0010275800000000 ] - [ 0.0000498500000000, -0.0000162000000000, 0.0007185300000000 ] - [ 0.0006232400000000, -0.0000166600000000, 0.0001070600000000 ] - [ -0.0020610000000000, 0.0018302000000000, 0.0038051900000000 ] - [ 0.0052571500000000, -0.0009574700000000, 0.0006604300000000 ] - [ 0.0006130500000000, 0.0000047300000000, 0.0001273900000000 ] - [ 0.0013392400000000, 0.0002419500000000, 0.0011351600000000 ] - [ 0.0017068300000000, -0.0001841400000000, -0.0011267900000000 ] - [ 0.0036492400000000, 0.0006357000000000, 0.0003436400000000 ] - [ 0.0130948100000000, -0.0094530100000000, -0.0016087500000000 ] - [ 0.0014146100000000, -0.0001521800000000, 0.0011432900000000 ] - [ 0.0022941000000000, 0.0001874000000000, -0.0012118700000000 ] - [ 0.0003191800000000, -0.0000120000000000, -0.0009511100000000 ] - [ 0.0085880600000000, 0.0051637100000000, -0.0009416100000000 ] - [ 0.0024804500000000, -0.0001282400000000, -0.0072701500000000 ] - [ 0.0001161300000000, -0.0000348900000000, 0.0004610800000000 ] - [ 0.0000836200000000, 0.0002057700000000, 0.0007748000000000 ] - [ 0.0007613000000000, -0.0000426000000000, 0.0002007000000000 ] - [ 0.0018657500000000, -0.0001681400000000, 0.0013515800000000 ] - [ -0.0000977700000000, -0.0000160300000000, -0.0000666600000000 ] - [ 0.0000225500000000, -0.0000140900000000, 0.0001259500000000 ] - [ 0.0004721200000000, 0.0000302500000000, 0.0003665800000000 ] - [ 0.0002657000000000, 0.0000370700000000, 0.0002021500000000 ] - [ 0.0001245900000000, -0.0000001400000000, 0.0001314000000000 ] - [ -0.0000386400000000, -0.0000083900000000, 0.0000303300000000 ] - [ 0.0000386600000000, 0.0000003600000000, 0.0001289600000000 ] - [ 0.0002394300000000, -0.0000356700000000, 0.0002236600000000 ] - [ 0.0000223400000000, 0.0000002400000000, 0.0001284700000000 ] - [ -0.0000011200000000, 0.0000065800000000, 0.0000835700000000 ] - [ 0.0000541500000000, -0.0000001600000000, 0.0001492100000000 ] - [ 0.0001165100000000, 0.0000665200000000, 0.0001015900000000 ] - [ -0.0000820300000000, 0.0000047600000000, 0.0001320800000000 ] - [ 0.0000001000000000, -0.0000062700000000, 0.0000830100000000 ] - [ 0.0001709500000000, 0.0000021000000000, 0.0000394600000000 ] - [ 0.0001304500000000, -0.0000642400000000, 0.0000714700000000 ] - [ 0.0000263300000000, 0.0000163400000000, 0.0003925100000000 ] - [ -0.0000133100000000, -0.0000007200000000, 0.0001807800000000 ] - [ -0.0000840700000000, 0.0000082700000000, 0.0001649700000000 ] - [ -0.0000623500000000, -0.0000107100000000, 0.0001592700000000 ]- atom: 66 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0001078700000000, 0.0000079800000000, -0.0000685900000000 ] - [ 0.0007068100000000, 0.0000598200000000, 0.0009586300000000 ] - [ -0.0115073600000000, -0.0004623500000000, 0.0005356400000000 ] - [ -0.0127768300000000, 0.0036289500000000, 0.0032085400000000 ] - [ -0.0005679100000000, -0.0000494800000000, 0.0003956600000000 ] - [ 0.0007873200000000, -0.0000745500000000, 0.0012496300000000 ] - [ 0.0000020500000000, -0.0000001200000000, 0.0001564000000000 ] - [ -0.0000729700000000, 0.0000023700000000, 0.0000545700000000 ] - [ 0.0000851300000000, -0.0000056800000000, 0.0000698200000000 ] - [ 0.0001188900000000, 0.0000003700000000, 0.0001296700000000 ] - [ 0.0001920500000000, 0.0000121400000000, 0.0000697200000000 ] - [ 0.0003988500000000, -0.0007070000000000, -0.0012734500000000 ] - [ 0.0037222800000000, -0.0001930600000000, 0.0009473100000000 ] - [ 0.0030948600000000, 0.0000979600000000, 0.0012149000000000 ] - [ 0.0004169000000000, 0.0000641100000000, -0.0001489800000000 ] - [ 0.0005181300000000, 0.0009243000000000, -0.0015493100000000 ] - [ 0.0000426700000000, 0.0000004800000000, 0.0001087700000000 ] - [ 0.0000978500000000, 0.0000035000000000, 0.0001339200000000 ] - [ -0.0001024100000000, 0.0000009200000000, 0.0000804400000000 ] - [ 0.0001324400000000, 0.0000000500000000, 0.0000933200000000 ] - [ -0.0001660000000000, 0.0001177200000000, -0.0004072200000000 ] - [ -0.0003838700000000, 0.0000689400000000, 0.0005570200000000 ] - [ -0.0030703900000000, -0.0006716300000000, 0.0010043200000000 ] - [ -0.0230167100000000, 0.0268383500000000, -0.0098662500000000 ] - [ -0.0038581500000000, 0.0005801500000000, 0.0005660100000000 ] - [ 0.0035587100000000, -0.0005523800000000, -0.0038009700000000 ] - [ -0.0002443700000000, -0.0000017500000000, 0.0003329100000000 ] - [ -0.0010530900000000, 0.0005711000000000, 0.0027645300000000 ] - [ -0.0036795200000000, -0.0007055800000000, 0.0017995700000000 ] - [ 0.0000736300000000, -0.0000012800000000, -0.0000006300000000 ] - [ 0.0017553900000000, 0.0020729500000000, -0.0057264300000000 ] - [ 0.0005564800000000, -0.0001073300000000, 0.0005791300000000 ] - [ -0.0002387000000000, -0.0001097500000000, -0.0002266100000000 ] - [ -0.0051865200000000, -0.0024023300000000, -0.0024065700000000 ] - [ 0.0001052600000000, -0.0000208500000000, 0.0001607900000000 ] - [ 0.0000152100000000, -0.0000001200000000, 0.0001851100000000 ] - [ 0.0001062100000000, 0.0000210300000000, 0.0001607600000000 ] - [ 0.0000647600000000, -0.0000058400000000, 0.0000397100000000 ] - [ -0.0000308900000000, 0.0000024500000000, 0.0002529700000000 ] - [ 0.0000554400000000, 0.0000007800000000, 0.0001402400000000 ] - [ 0.0004606600000000, -0.0001263400000000, 0.0005547100000000 ] - [ 0.0004246800000000, -0.0000704600000000, -0.0000891200000000 ] - [ 0.0017460900000000, -0.0001147100000000, -0.0001363200000000 ] - [ 0.0070938900000000, 0.0006092700000000, -0.0017207700000000 ] - [ 0.0015601700000000, 0.0001248400000000, -0.0002105100000000 ] - [ -0.0405854700000000, -0.0038236000000000, -0.0221822500000000 ] - [ 0.0001992300000000, -0.0000133000000000, 0.0000870200000000 ] - [ 0.0010835500000000, -0.0002082000000000, -0.0009841800000000 ] - [ 0.0068364200000000, 0.0004746100000000, -0.0030683400000000 ] - [ 0.0000257000000000, 0.0000033700000000, 0.0002794100000000 ] - [ 0.0026887200000000, 0.0012426000000000, 0.0044544000000000 ] - [ -0.0003495000000000, 0.0001100000000000, -0.0004047100000000 ] - [ 0.0004575500000000, 0.0001148300000000, 0.0005102800000000 ] - [ 0.0028958000000000, 0.0000679100000000, 0.0007864400000000 ] - [ 0.0001773400000000, -0.0000229200000000, 0.0001588200000000 ] - [ -0.0000917100000000, 0.0000000100000000, 0.0001852900000000 ] - [ 0.0001777100000000, 0.0000231400000000, 0.0001577600000000 ] - [ -0.0000340600000000, -0.0000020600000000, 0.0002455900000000 ] - [ 0.0000555900000000, 0.0000058200000000, 0.0000291700000000 ] - [ 0.0000194700000000, 0.0000001600000000, 0.0002020000000000 ] - [ -0.0003064700000000, 0.0003327000000000, -0.0010907500000000 ] - [ 0.0013502100000000, 0.0018493600000000, -0.0047004800000000 ] - [ -0.0001300900000000, -0.0000871000000000, 0.0003194300000000 ] - [ 0.0009922600000000, -0.0002352800000000, -0.0000175100000000 ] - [ -0.0020348200000000, -0.0000420000000000, 0.0008901400000000 ] - [ 0.1095060300000000, -0.0332035700000000, 0.0308656100000000 ] - [ 0.0010146500000000, 0.0003550000000000, 0.0002108400000000 ] - [ -0.0004974800000000, 0.0001456200000000, 0.0067283500000000 ] - [ 0.0026868900000000, 0.0042849800000000, -0.0063150100000000 ] - [ 0.0065804800000000, 0.0025983500000000, 0.0013589000000000 ] - [ -0.0092083300000000, 0.0042187500000000, 0.0017949500000000 ] - [ 0.0017257200000000, -0.0000191700000000, 0.0018480900000000 ] - [ 0.0032686700000000, -0.0034195000000000, -0.0041418100000000 ] - [ -0.0003263600000000, 0.0001417900000000, -0.0012589700000000 ] - [ -0.0070680200000000, -0.0068399800000000, 0.0013640500000000 ] - [ -0.0018393200000000, -0.0000339200000000, -0.0016213600000000 ] - [ 0.0001225200000000, -0.0000184800000000, 0.0000713200000000 ] - [ -0.0001276800000000, 0.0000998100000000, 0.0004030700000000 ] - [ 0.0011390100000000, -0.0002176700000000, 0.0000741800000000 ] - [ 0.0015163500000000, -0.0004913800000000, 0.0018916500000000 ] - [ -0.0000817100000000, -0.0000251500000000, -0.0003102300000000 ] - [ -0.0000152100000000, 0.0000205900000000, -0.0000985200000000 ] - [ 0.0006831000000000, 0.0001850200000000, 0.0004413900000000 ] - [ 0.0002570900000000, 0.0000416500000000, 0.0000425800000000 ] - [ 0.0001408100000000, 0.0000000100000000, -0.0001848300000000 ] - [ -0.0000728500000000, -0.0000424800000000, -0.0001945100000000 ] - [ 0.0000915500000000, -0.0000015500000000, -0.0000975600000000 ] - [ 0.0002259100000000, -0.0000359400000000, 0.0000267800000000 ] - [ 0.0000545000000000, 0.0000001200000000, -0.0001009900000000 ] - [ -0.0000336600000000, 0.0000409700000000, -0.0001427400000000 ] - [ 0.0000660000000000, 0.0000014900000000, -0.0001558700000000 ] - [ 0.0000927000000000, 0.0000542300000000, -0.0001147400000000 ] - [ -0.0000710600000000, 0.0000183500000000, -0.0002316100000000 ] - [ -0.0000297200000000, -0.0000398900000000, -0.0001423900000000 ] - [ 0.0002180000000000, -0.0000002700000000, -0.0001832800000000 ] - [ 0.0001059100000000, -0.0000527100000000, -0.0001452100000000 ] - [ 0.0000311300000000, 0.0000078200000000, 0.0001372000000000 ] - [ -0.0000019000000000, 0.0000022100000000, -0.0001262800000000 ] - [ -0.0000799600000000, 0.0000125200000000, -0.0000063900000000 ] - [ -0.0000693900000000, -0.0000145600000000, -0.0000398000000000 ] - [ -0.0003387300000000, 0.0001242000000000, 0.0005890000000000 ] - [ -0.0015223700000000, 0.0000340800000000, 0.0013232300000000 ] - [ -0.0001034300000000, -0.0002518000000000, -0.0007298200000000 ] - [ -0.0006866100000000, 0.0000173300000000, -0.0001217500000000 ] - [ 0.0018834400000000, -0.0018381400000000, -0.0039048500000000 ] - [ -0.0053822500000000, 0.0009424400000000, -0.0005703500000000 ] - [ -0.0004653400000000, -0.0000050100000000, -0.0003614600000000 ] - [ -0.0014564100000000, -0.0002428200000000, -0.0011526200000000 ] - [ -0.0020063300000000, 0.0001854200000000, 0.0012745900000000 ] - [ -0.0037737700000000, -0.0006169700000000, -0.0002562400000000 ] - [ -0.0133361500000000, 0.0096091000000000, 0.0016545600000000 ] - [ -0.0015285800000000, 0.0001542500000000, -0.0011617300000000 ] - [ -0.0023514700000000, -0.0001889900000000, 0.0011411400000000 ] - [ -0.0003390500000000, -0.0001090300000000, 0.0008127000000000 ] - [ -0.0085497800000000, -0.0050890600000000, 0.0008337700000000 ] - [ -0.0024679100000000, 0.0003555600000000, 0.0072606500000000 ] - [ 0.0000128900000000, 0.0000351000000000, -0.0004321700000000 ] - [ -0.0001008600000000, -0.0000843600000000, -0.0009087600000000 ] - [ -0.0007919000000000, 0.0000430800000000, -0.0001495400000000 ] - [ -0.0018120400000000, -0.0000534900000000, -0.0013038500000000 ] - [ -0.0000721600000000, 0.0000161600000000, 0.0001025800000000 ] - [ -0.0000763500000000, 0.0000436400000000, -0.0001947000000000 ] - [ -0.0006284100000000, -0.0000302800000000, -0.0005290700000000 ] - [ -0.0001913900000000, -0.0000335100000000, 0.0000033100000000 ] - [ 0.0001381000000000, 0.0000003000000000, -0.0001935700000000 ] - [ -0.0000159500000000, -0.0000209300000000, -0.0001010900000000 ] - [ -0.0000143300000000, -0.0000001300000000, -0.0000479700000000 ] - [ -0.0001651200000000, 0.0000328000000000, -0.0000204200000000 ] - [ 0.0000598800000000, -0.0000000800000000, -0.0001101300000000 ] - [ 0.0000401200000000, 0.0000306800000000, -0.0000828300000000 ] - [ -0.0000030300000000, 0.0000003800000000, -0.0001150300000000 ] - [ 0.0001063000000000, 0.0000531100000000, -0.0001436700000000 ] - [ 0.0000492800000000, -0.0000045400000000, 0.0001180000000000 ] - [ 0.0000391200000000, -0.0000308100000000, -0.0000833800000000 ] - [ 0.0001527100000000, -0.0000018100000000, -0.0001189100000000 ] - [ 0.0000927000000000, -0.0000540900000000, -0.0001160900000000 ] - [ -0.0000477100000000, -0.0000164100000000, -0.0001690100000000 ] - [ 0.0000486000000000, 0.0000008300000000, -0.0002036900000000 ] - [ 0.0001827100000000, 0.0000445400000000, -0.0001057700000000 ] - [ 0.0001605800000000, -0.0000418500000000, -0.0001024300000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000465100000000, -0.0000111800000000, -0.0000740900000000 ] - [ 0.0012848200000000, 0.0001342200000000, 0.0006046800000000 ] - [ 0.0021358900000000, 0.0085089200000000, -0.0041638800000000 ] - [ -0.0040477000000000, 0.0100396800000000, 0.0046198800000000 ] - [ -0.0002168900000000, -0.0000212500000000, 0.0000657000000000 ] - [ -0.0007435600000000, 0.0000583500000000, -0.0006205300000000 ] - [ 0.0000195100000000, -0.0000002700000000, 0.0001161300000000 ] - [ -0.0000235900000000, -0.0000004400000000, 0.0000648300000000 ] - [ 0.0000241000000000, 0.0000005600000000, 0.0000467400000000 ] - [ 0.0001268400000000, 0.0000004600000000, 0.0000910600000000 ] - [ 0.0000765300000000, -0.0000024700000000, -0.0000203000000000 ] - [ -0.0001698700000000, 0.0000541100000000, -0.0001571900000000 ] - [ -0.0005975200000000, 0.0000836300000000, -0.0007649700000000 ] - [ 0.0010762300000000, 0.0001258300000000, 0.0007552800000000 ] - [ 0.0000239200000000, 0.0000003000000000, 0.0000127800000000 ] - [ -0.0000808400000000, 0.0000433200000000, -0.0001445600000000 ] - [ 0.0000229900000000, -0.0000000300000000, 0.0001048600000000 ] - [ 0.0000266200000000, -0.0000000400000000, 0.0000669800000000 ] - [ -0.0000418800000000, 0.0000021500000000, 0.0000693700000000 ] - [ 0.0001250000000000, 0.0000001700000000, 0.0000803800000000 ] - [ -0.0001861700000000, -0.0000062100000000, 0.0000474200000000 ] - [ 0.0001087000000000, 0.0000345100000000, 0.0003718300000000 ] - [ -0.0006770900000000, -0.0027833100000000, 0.0002731200000000 ] - [ -0.0304208500000000, 0.0623276700000000, -0.0222767900000000 ] - [ -0.0004280700000000, 0.0026601600000000, 0.0002574200000000 ] - [ 0.0004051100000000, -0.0024964700000000, -0.0008748100000000 ] - [ -0.0000231900000000, 0.0000015900000000, 0.0002214500000000 ] - [ -0.0002040000000000, 0.0003383600000000, 0.0024300600000000 ] - [ -0.0004959200000000, -0.0066863000000000, -0.0006020300000000 ] - [ 0.0000505200000000, 0.0000000400000000, 0.0000849900000000 ] - [ -0.0015405700000000, -0.0005709800000000, 0.0021150100000000 ] - [ 0.0002588700000000, -0.0000137700000000, 0.0001793100000000 ] - [ -0.0000727700000000, -0.0001872200000000, 0.0000857600000000 ] - [ 0.0015718200000000, -0.0005244400000000, -0.0021284000000000 ] - [ 0.0001334200000000, -0.0000199600000000, 0.0001294100000000 ] - [ -0.0000247100000000, -0.0000014600000000, 0.0001431000000000 ] - [ 0.0001332300000000, 0.0000193600000000, 0.0001285900000000 ] - [ 0.0000167000000000, -0.0000172400000000, 0.0000701200000000 ] - [ 0.0000252100000000, 0.0000156100000000, 0.0001414100000000 ] - [ 0.0000421600000000, 0.0000004000000000, 0.0001231900000000 ] - [ 0.0002042200000000, -0.0000634500000000, -0.0000492900000000 ] - [ 0.0001185600000000, 0.0000038700000000, 0.0000507700000000 ] - [ 0.0001327200000000, 0.0000413400000000, -0.0001538300000000 ] - [ 0.0021343900000000, 0.0002708900000000, -0.0009952600000000 ] - [ 0.0001809700000000, -0.0000389700000000, -0.0001222000000000 ] - [ 0.0052501700000000, 0.0098294100000000, 0.0034639900000000 ] - [ 0.0000300500000000, 0.0000007300000000, 0.0001333100000000 ] - [ 0.0000132500000000, -0.0000030400000000, -0.0002593300000000 ] - [ 0.0004190400000000, 0.0023857600000000, -0.0006672600000000 ] - [ 0.0000512100000000, 0.0000014100000000, 0.0001341100000000 ] - [ -0.0019829200000000, -0.0005533300000000, -0.0015228900000000 ] - [ -0.0000712300000000, 0.0001902000000000, 0.0000833400000000 ] - [ 0.0002152800000000, 0.0000238800000000, 0.0001476900000000 ] - [ 0.0004008300000000, 0.0000172500000000, 0.0001836100000000 ] - [ 0.0001486300000000, -0.0000173800000000, 0.0001224800000000 ] - [ -0.0000590200000000, -0.0000007600000000, 0.0001501800000000 ] - [ 0.0001481500000000, 0.0000176600000000, 0.0001212200000000 ] - [ 0.0000195100000000, -0.0000158500000000, 0.0001357100000000 ] - [ 0.0000182000000000, 0.0000173700000000, 0.0000699600000000 ] - [ 0.0000363500000000, -0.0000002500000000, 0.0001453000000000 ] - [ -0.0002352700000000, 0.0008292600000000, -0.0004369600000000 ] - [ -0.0009982100000000, 0.0020240200000000, -0.0058140400000000 ] - [ 0.0000137700000000, -0.0000602400000000, 0.0000511900000000 ] - [ 0.0005014500000000, -0.0000333100000000, -0.0004972900000000 ] - [ 0.0001094900000000, -0.0000151900000000, -0.0002158300000000 ] - [ 0.0322169800000000, -0.1306534400000000, 0.0215277600000000 ] - [ -0.0001226400000000, -0.0000520000000000, 0.0001444300000000 ] - [ 0.0000818500000000, -0.0020032200000000, 0.0002639900000000 ] - [ -0.0029939600000000, 0.0036100800000000, -0.0089041900000000 ] - [ 0.0025280100000000, 0.0292137700000000, 0.0021250700000000 ] - [ -0.0065606400000000, 0.0020839400000000, 0.0013523400000000 ] - [ -0.0000394100000000, 0.0011289300000000, 0.0004893500000000 ] - [ 0.0015657500000000, 0.0020750000000000, 0.0041497800000000 ] - [ -0.0002628500000000, 0.0006687700000000, -0.0004343500000000 ] - [ 0.0043398800000000, 0.0020955300000000, 0.0002970400000000 ] - [ -0.0001339800000000, 0.0009535500000000, 0.0000862900000000 ] - [ 0.0001216300000000, 0.0000004400000000, -0.0001216800000000 ] - [ 0.0000318600000000, 0.0001270100000000, -0.0000228200000000 ] - [ 0.0005679500000000, -0.0000461400000000, -0.0004049800000000 ] - [ 0.0003921500000000, 0.0010143600000000, -0.0000265700000000 ] - [ -0.0000918600000000, -0.0000040300000000, -0.0000879900000000 ] - [ -0.0000335400000000, 0.0000282400000000, -0.0001178200000000 ] - [ -0.0001707600000000, -0.0000033900000000, 0.0002696800000000 ] - [ 0.0000741400000000, 0.0000295400000000, 0.0000106700000000 ] - [ 0.0001368200000000, 0.0000000100000000, -0.0001586200000000 ] - [ -0.0000506800000000, -0.0000333600000000, -0.0001346100000000 ] - [ 0.0000425500000000, -0.0000001900000000, -0.0000633700000000 ] - [ 0.0000686400000000, -0.0000312600000000, 0.0000132100000000 ] - [ 0.0000516600000000, -0.0000001100000000, -0.0000801100000000 ] - [ -0.0000063500000000, 0.0000365900000000, -0.0000993400000000 ] - [ 0.0000346200000000, 0.0000000300000000, -0.0001135700000000 ] - [ 0.0001038900000000, 0.0000555100000000, -0.0001025500000000 ] - [ -0.0000571500000000, 0.0000121500000000, -0.0000851600000000 ] - [ -0.0000053300000000, -0.0000358400000000, -0.0000979500000000 ] - [ 0.0001854500000000, 0.0000006400000000, -0.0001463900000000 ] - [ 0.0001020300000000, -0.0000540800000000, -0.0001139000000000 ] - [ -0.0000046900000000, 0.0000003700000000, 0.0000789800000000 ] - [ 0.0000159300000000, -0.0000000800000000, -0.0001146900000000 ] - [ 0.0000235400000000, 0.0000228800000000, -0.0000221400000000 ] - [ 0.0000224100000000, -0.0000224400000000, -0.0000215600000000 ] - [ 0.0000252200000000, 0.0000576200000000, 0.0000430100000000 ] - [ -0.0004118700000000, -0.0000317800000000, 0.0008450700000000 ] - [ -0.0001728900000000, -0.0006155300000000, -0.0002832300000000 ] - [ -0.0002238800000000, 0.0000150000000000, 0.0000570100000000 ] - [ 0.0012707700000000, 0.0017929700000000, 0.0049596700000000 ] - [ -0.0010087300000000, 0.0014501900000000, -0.0000104800000000 ] - [ 0.0000004400000000, -0.0000139200000000, -0.0001358300000000 ] - [ -0.0002862100000000, 0.0006435900000000, -0.0000356400000000 ] - [ -0.0005051200000000, -0.0000256600000000, 0.0007704500000000 ] - [ -0.0006860000000000, -0.0009891100000000, 0.0000628900000000 ] - [ -0.0097446200000000, 0.0035757200000000, 0.0005852700000000 ] - [ -0.0001995200000000, -0.0005894100000000, 0.0000209900000000 ] - [ 0.0000000300000000, -0.0000436700000000, -0.0002291300000000 ] - [ 0.0000301400000000, -0.0001273100000000, -0.0000123000000000 ] - [ 0.0049074300000000, 0.0017462500000000, -0.0002375400000000 ] - [ 0.0002597900000000, -0.0018667000000000, 0.0001323400000000 ] - [ 0.0000165200000000, 0.0000144600000000, -0.0002232800000000 ] - [ -0.0001536800000000, -0.0004424300000000, -0.0003096500000000 ] - [ -0.0001992700000000, 0.0000115300000000, 0.0000831100000000 ] - [ -0.0000453900000000, -0.0007264400000000, 0.0001297900000000 ] - [ -0.0000913200000000, 0.0000004000000000, -0.0000009500000000 ] - [ -0.0000516500000000, 0.0000340800000000, -0.0001348000000000 ] - [ -0.0001567500000000, -0.0000058700000000, -0.0001084900000000 ] - [ 0.0000002100000000, -0.0000062700000000, 0.0000393600000000 ] - [ 0.0001370500000000, 0.0000001000000000, -0.0001597900000000 ] - [ -0.0000337300000000, -0.0000282600000000, -0.0001182300000000 ] - [ 0.0000280300000000, 0.0000000900000000, -0.0000472000000000 ] - [ 0.0000012100000000, 0.0000061000000000, 0.0000384800000000 ] - [ 0.0000545400000000, -0.0000001600000000, -0.0000815400000000 ] - [ 0.0000208600000000, 0.0000318700000000, -0.0000849600000000 ] - [ 0.0000232000000000, -0.0000001800000000, -0.0000902300000000 ] - [ 0.0001022900000000, 0.0000541200000000, -0.0001130300000000 ] - [ 0.0000395300000000, 0.0000004400000000, -0.0000017100000000 ] - [ 0.0000199600000000, -0.0000320400000000, -0.0000845700000000 ] - [ 0.0001763700000000, 0.0000000300000000, -0.0001226400000000 ] - [ 0.0001038600000000, -0.0000557300000000, -0.0001034200000000 ] - [ -0.0000269000000000, -0.0000062600000000, 0.0000094400000000 ] - [ 0.0000249000000000, -0.0000007500000000, -0.0001477500000000 ] - [ 0.0000697400000000, 0.0000433000000000, -0.0000891600000000 ] - [ 0.0000654300000000, -0.0000457700000000, -0.0000775600000000 ]- atom: 66 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001108200000000, 0.0000032900000000, -0.0000792900000000 ] - [ -0.0014433500000000, -0.0001329300000000, -0.0006438600000000 ] - [ -0.0018384800000000, -0.0079373700000000, 0.0035980700000000 ] - [ 0.0034345100000000, -0.0094206200000000, -0.0039039400000000 ] - [ 0.0002022600000000, 0.0000218200000000, -0.0000978000000000 ] - [ 0.0008109700000000, -0.0000570800000000, 0.0006087400000000 ] - [ 0.0000248900000000, 0.0000001600000000, -0.0000787800000000 ] - [ 0.0000270300000000, 0.0000006000000000, -0.0001267700000000 ] - [ -0.0000692100000000, -0.0000017800000000, -0.0001222900000000 ] - [ 0.0001172400000000, -0.0000004200000000, -0.0001357200000000 ] - [ -0.0000136600000000, -0.0000053300000000, -0.0001335100000000 ] - [ 0.0000174600000000, -0.0000446600000000, 0.0001251500000000 ] - [ 0.0004714400000000, -0.0000818700000000, 0.0007487200000000 ] - [ -0.0012821300000000, -0.0001242400000000, -0.0006710600000000 ] - [ -0.0000377300000000, 0.0000005300000000, -0.0000443400000000 ] - [ 0.0001528800000000, -0.0000343900000000, 0.0001361900000000 ] - [ 0.0000211300000000, -0.0000000800000000, -0.0000674700000000 ] - [ -0.0000231600000000, 0.0000002800000000, -0.0001289200000000 ] - [ -0.0000024300000000, -0.0000034200000000, -0.0001450900000000 ] - [ 0.0001193300000000, -0.0000002200000000, -0.0001248300000000 ] - [ 0.0003105400000000, 0.0000044800000000, -0.0000793400000000 ] - [ 0.0000540100000000, -0.0000336600000000, -0.0003788900000000 ] - [ 0.0007157100000000, 0.0024921700000000, -0.0003105200000000 ] - [ 0.0321171100000000, -0.0654436500000000, 0.0238640000000000 ] - [ 0.0004804600000000, -0.0023690900000000, -0.0002721400000000 ] - [ -0.0004836000000000, 0.0026872300000000, 0.0008657900000000 ] - [ 0.0000215200000000, -0.0000019000000000, -0.0001825000000000 ] - [ 0.0001126900000000, -0.0003413900000000, -0.0023879100000000 ] - [ 0.0004871300000000, 0.0065073000000000, 0.0006280100000000 ] - [ 0.0000551400000000, -0.0000002900000000, -0.0002104300000000 ] - [ 0.0012114700000000, 0.0005509700000000, -0.0021045100000000 ] - [ -0.0002144900000000, -0.0000684400000000, -0.0002037600000000 ] - [ 0.0001192300000000, 0.0002694400000000, -0.0001107200000000 ] - [ -0.0016946200000000, 0.0005051800000000, 0.0022029900000000 ] - [ 0.0001381900000000, -0.0000085800000000, -0.0001665100000000 ] - [ -0.0000531300000000, 0.0000010200000000, -0.0001573800000000 ] - [ 0.0001383200000000, 0.0000088700000000, -0.0001673800000000 ] - [ 0.0000307100000000, 0.0000397600000000, -0.0001538600000000 ] - [ 0.0000228000000000, -0.0000383000000000, -0.0002273500000000 ] - [ 0.0000500300000000, -0.0000001000000000, -0.0001521300000000 ] - [ -0.0000834000000000, 0.0000624000000000, 0.0000144900000000 ] - [ 0.0000411700000000, -0.0000027000000000, -0.0000548000000000 ] - [ -0.0001045700000000, -0.0003424600000000, 0.0001257200000000 ] - [ -0.0024626200000000, -0.0002737400000000, 0.0011216300000000 ] - [ -0.0001508800000000, 0.0003398700000000, 0.0000986800000000 ] - [ -0.0051281200000000, -0.0095738600000000, -0.0033448300000000 ] - [ -0.0000312200000000, -0.0000006200000000, -0.0000938900000000 ] - [ -0.0000999300000000, 0.0000008300000000, 0.0003154500000000 ] - [ -0.0004750500000000, -0.0025770900000000, 0.0006652200000000 ] - [ 0.0000549000000000, -0.0000018400000000, -0.0002602800000000 ] - [ 0.0016376600000000, 0.0005577500000000, 0.0015314400000000 ] - [ 0.0001163600000000, -0.0002726800000000, -0.0001097200000000 ] - [ -0.0001699300000000, 0.0000580900000000, -0.0001719800000000 ] - [ -0.0005311000000000, -0.0000182800000000, -0.0001232700000000 ] - [ 0.0001232200000000, -0.0000115300000000, -0.0001599600000000 ] - [ -0.0000182700000000, 0.0000007100000000, -0.0001640300000000 ] - [ 0.0001236500000000, 0.0000109300000000, -0.0001604700000000 ] - [ 0.0000280200000000, 0.0000381800000000, -0.0002206200000000 ] - [ 0.0000295300000000, -0.0000401500000000, -0.0001548700000000 ] - [ 0.0000551700000000, 0.0000002200000000, -0.0001742000000000 ] - [ 0.0001868500000000, -0.0005647400000000, 0.0004357700000000 ] - [ 0.0008163500000000, -0.0020313800000000, 0.0061838800000000 ] - [ -0.0000645000000000, -0.0002081000000000, -0.0000579900000000 ] - [ -0.0005687600000000, 0.0000354600000000, 0.0004822700000000 ] - [ -0.0002543000000000, 0.0000159500000000, 0.0001382700000000 ] - [ -0.0345745500000000, 0.1325495100000000, -0.0231211800000000 ] - [ 0.0002702500000000, 0.0000488200000000, -0.0003831600000000 ] - [ -0.0001721400000000, 0.0020048900000000, -0.0003396400000000 ] - [ 0.0026720000000000, -0.0036603000000000, 0.0090195300000000 ] - [ -0.0026902800000000, -0.0291488600000000, -0.0020650400000000 ] - [ 0.0065622700000000, -0.0020916000000000, -0.0013434400000000 ] - [ -0.0000830400000000, -0.0011255500000000, -0.0005121300000000 ] - [ -0.0016534000000000, -0.0020369700000000, -0.0042292700000000 ] - [ 0.0002433700000000, -0.0007889400000000, 0.0003001900000000 ] - [ -0.0044080800000000, -0.0020576600000000, -0.0004187900000000 ] - [ 0.0001558400000000, -0.0007331100000000, -0.0000500500000000 ] - [ 0.0000055000000000, -0.0000010000000000, 0.0001508800000000 ] - [ -0.0000520200000000, -0.0000053800000000, -0.0001166300000000 ] - [ -0.0006014300000000, 0.0000449700000000, 0.0004573800000000 ] - [ -0.0003748100000000, -0.0012348000000000, 0.0000464100000000 ] - [ -0.0000774700000000, 0.0000039500000000, 0.0001259300000000 ] - [ -0.0000215000000000, 0.0000000200000000, 0.0000497400000000 ] - [ 0.0000121600000000, 0.0000044800000000, -0.0004275900000000 ] - [ 0.0000002500000000, -0.0000261400000000, 0.0001964600000000 ] - [ 0.0001242900000000, -0.0000002900000000, 0.0000987200000000 ] - [ -0.0000039300000000, 0.0000048100000000, 0.0000644000000000 ] - [ -0.0000189100000000, 0.0000001000000000, 0.0001448300000000 ] - [ 0.0000056700000000, 0.0000276300000000, 0.0001916000000000 ] - [ 0.0000301200000000, 0.0000000600000000, 0.0001013100000000 ] - [ 0.0000452600000000, -0.0000017200000000, 0.0001000100000000 ] - [ 0.0000164900000000, -0.0000001900000000, 0.0001493700000000 ] - [ 0.0001202800000000, 0.0000617700000000, 0.0000618500000000 ] - [ 0.0000240400000000, -0.0000121900000000, 0.0003377700000000 ] - [ 0.0000443800000000, 0.0000006400000000, 0.0000977400000000 ] - [ 0.0001364100000000, -0.0000006300000000, 0.0000663500000000 ] - [ 0.0001215900000000, -0.0000639600000000, 0.0000713600000000 ] - [ -0.0000171800000000, -0.0000006200000000, 0.0001460300000000 ] - [ 0.0000209700000000, 0.0000000700000000, 0.0000946700000000 ] - [ 0.0000759600000000, 0.0000303800000000, 0.0000823300000000 ] - [ 0.0000765500000000, -0.0000308100000000, 0.0000798900000000 ] - [ -0.0000728200000000, 0.0002097600000000, -0.0000520300000000 ] - [ 0.0002116900000000, 0.0000304300000000, -0.0005617200000000 ] - [ 0.0001242600000000, 0.0003508400000000, 0.0002815200000000 ] - [ 0.0001650200000000, -0.0000151400000000, -0.0000737600000000 ] - [ -0.0014199600000000, -0.0018095800000000, -0.0050232800000000 ] - [ 0.0008895200000000, -0.0014713900000000, 0.0000987300000000 ] - [ 0.0001518800000000, 0.0000139400000000, -0.0001000400000000 ] - [ 0.0001787300000000, -0.0006493900000000, 0.0000124300000000 ] - [ 0.0002043000000000, 0.0000276000000000, -0.0006196000000000 ] - [ 0.0005651600000000, 0.0010109300000000, 0.0000223400000000 ] - [ 0.0096127600000000, -0.0036262700000000, -0.0005708500000000 ] - [ 0.0000920100000000, 0.0005943900000000, -0.0000455200000000 ] - [ -0.0000596000000000, 0.0000410000000000, 0.0001644800000000 ] - [ -0.0000522700000000, 0.0000053400000000, -0.0001213500000000 ] - [ -0.0049374300000000, -0.0017618100000000, 0.0001333700000000 ] - [ -0.0002823800000000, 0.0020922200000000, -0.0000631300000000 ] - [ 0.0001110200000000, -0.0000146600000000, 0.0002529500000000 ] - [ 0.0001331400000000, 0.0005627300000000, 0.0001709000000000 ] - [ 0.0001662400000000, -0.0000116700000000, -0.0000309800000000 ] - [ 0.0000656500000000, 0.0005065700000000, -0.0000973100000000 ] - [ -0.0000785600000000, -0.0000003400000000, 0.0000389500000000 ] - [ -0.0000030000000000, -0.0000059100000000, 0.0000667600000000 ] - [ -0.0000003400000000, 0.0000056900000000, -0.0000499900000000 ] - [ 0.0000742100000000, 0.0000089500000000, 0.0001679600000000 ] - [ 0.0001240200000000, -0.0000002600000000, 0.0000996400000000 ] - [ -0.0000213900000000, -0.0000002600000000, 0.0000484300000000 ] - [ -0.0000046500000000, -0.0000002500000000, 0.0001283900000000 ] - [ 0.0000733800000000, -0.0000089900000000, 0.0001661700000000 ] - [ 0.0000277500000000, 0.0000000200000000, 0.0001024500000000 ] - [ 0.0000176800000000, 0.0000031000000000, 0.0000854100000000 ] - [ 0.0000287000000000, 0.0000001200000000, 0.0001262500000000 ] - [ 0.0001215500000000, 0.0000638200000000, 0.0000727400000000 ] - [ -0.0000733000000000, -0.0000005700000000, 0.0002529100000000 ] - [ 0.0000185600000000, -0.0000033000000000, 0.0000840600000000 ] - [ 0.0001457300000000, -0.0000001800000000, 0.0000423400000000 ] - [ 0.0001202700000000, -0.0000619500000000, 0.0000605300000000 ] - [ 0.0000052400000000, 0.0000059400000000, 0.0002170500000000 ] - [ 0.0000115900000000, 0.0000005900000000, 0.0001279500000000 ] - [ 0.0000286700000000, 0.0000095300000000, 0.0001501200000000 ] - [ 0.0000327900000000, -0.0000074500000000, 0.0001362900000000 ]- atom: 66 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0002581200000000, 0.0000198100000000, -0.0012300400000000 ] - [ -0.0025266800000000, -0.0001779500000000, -0.0006680500000000 ] - [ -0.0005001600000000, -0.0027067800000000, 0.0141336300000000 ] - [ -0.0001014400000000, 0.0024894700000000, 0.0147406500000000 ] - [ 0.0002048600000000, 0.0001064000000000, -0.0012533400000000 ] - [ -0.0022301000000000, 0.0003020900000000, -0.0010702400000000 ] - [ 0.0000086500000000, 0.0000014300000000, -0.0008411700000000 ] - [ 0.0000523200000000, 0.0000077000000000, -0.0010401100000000 ] - [ -0.0001822200000000, -0.0000121200000000, -0.0008238600000000 ] - [ 0.0000764800000000, -0.0000019900000000, -0.0010216800000000 ] - [ -0.0001392400000000, -0.0000001200000000, -0.0006263100000000 ] - [ 0.0015123000000000, -0.0011401800000000, -0.0005857600000000 ] - [ -0.0012552100000000, -0.0000045400000000, 0.0017241500000000 ] - [ -0.0010341000000000, -0.0000141100000000, 0.0020129900000000 ] - [ -0.0000220700000000, 0.0000687600000000, -0.0005746800000000 ] - [ 0.0011134000000000, 0.0009313500000000, -0.0004987700000000 ] - [ 0.0000214200000000, 0.0000007500000000, -0.0008090800000000 ] - [ -0.0001323300000000, 0.0000083600000000, -0.0009624800000000 ] - [ 0.0000832800000000, -0.0000126500000000, -0.0009618800000000 ] - [ 0.0001064700000000, -0.0000011400000000, -0.0009840500000000 ] - [ 0.0010851700000000, 0.0002162300000000, -0.0013083500000000 ] - [ 0.0000500300000000, -0.0001469200000000, -0.0021254200000000 ] - [ 0.0027037100000000, 0.0001896500000000, -0.0024831500000000 ] - [ 0.0126746000000000, -0.0236536900000000, 0.0200717400000000 ] - [ 0.0004323800000000, -0.0001529800000000, -0.0057670500000000 ] - [ -0.0001649800000000, 0.0004922300000000, 0.0043230200000000 ] - [ 0.0000542700000000, -0.0000215700000000, -0.0015589800000000 ] - [ 0.0001435600000000, -0.0007941100000000, -0.0047518200000000 ] - [ -0.0015562900000000, 0.0005262700000000, 0.0069503800000000 ] - [ 0.0001358000000000, -0.0000030700000000, -0.0014059500000000 ] - [ 0.0040208600000000, 0.0030134700000000, 0.0050390500000000 ] - [ -0.0009317700000000, -0.0000187400000000, -0.0013311700000000 ] - [ 0.0006182000000000, 0.0000603000000000, -0.0013030800000000 ] - [ 0.0038625900000000, -0.0025887500000000, -0.0027628800000000 ] - [ 0.0001208800000000, 0.0000534100000000, -0.0013649800000000 ] - [ -0.0000660300000000, 0.0000054300000000, -0.0014047600000000 ] - [ 0.0001222700000000, -0.0000535400000000, -0.0013643000000000 ] - [ 0.0000877800000000, 0.0000868400000000, -0.0012555000000000 ] - [ -0.0000857500000000, -0.0000739700000000, -0.0015337600000000 ] - [ 0.0000848500000000, 0.0000002100000000, -0.0013676600000000 ] - [ -0.0011209500000000, 0.0002147900000000, -0.0014602900000000 ] - [ 0.0001643900000000, -0.0001192800000000, -0.0010223800000000 ] - [ -0.0002458300000000, -0.0003410600000000, 0.0004286600000000 ] - [ -0.0020734300000000, -0.0003352200000000, 0.0036092400000000 ] - [ -0.0004477700000000, 0.0003433500000000, 0.0004109400000000 ] - [ 0.0255984500000000, 0.0031413600000000, 0.0294681300000000 ] - [ 0.0000621300000000, -0.0000183100000000, -0.0012368200000000 ] - [ 0.0001485700000000, -0.0002052400000000, 0.0003931000000000 ] - [ 0.0013344000000000, -0.0004437200000000, 0.0051668600000000 ] - [ 0.0000609600000000, -0.0000078800000000, -0.0015468200000000 ] - [ -0.0054724100000000, -0.0010260100000000, 0.0024084200000000 ] - [ 0.0004824600000000, -0.0000654600000000, -0.0014763800000000 ] - [ -0.0007176700000000, 0.0000045900000000, -0.0012070900000000 ] - [ -0.0016458500000000, -0.0000971400000000, 0.0002326600000000 ] - [ 0.0000819500000000, 0.0000444100000000, -0.0013191200000000 ] - [ 0.0000669900000000, 0.0000039000000000, -0.0014481500000000 ] - [ 0.0000850800000000, -0.0000446800000000, -0.0013185200000000 ] - [ -0.0000610500000000, 0.0000738500000000, -0.0015084100000000 ] - [ 0.0000686200000000, -0.0000871200000000, -0.0012727300000000 ] - [ 0.0000849500000000, 0.0000004500000000, -0.0014593000000000 ] - [ 0.0011316900000000, -0.0001659400000000, 0.0021222700000000 ] - [ 0.0015913600000000, -0.0038586600000000, 0.0065082100000000 ] - [ -0.0004876600000000, -0.0002088200000000, 0.0001738500000000 ] - [ -0.0008967400000000, -0.0001676100000000, 0.0015891100000000 ] - [ -0.0003374700000000, -0.0002086500000000, -0.0012493800000000 ] - [ -0.0444627600000000, 0.0267099300000000, -0.0925393100000000 ] - [ -0.0005575300000000, 0.0002602400000000, 0.0012369100000000 ] - [ -0.0067018100000000, -0.0003378100000000, 0.0054039700000000 ] - [ 0.0035186900000000, -0.0090888400000000, 0.0102478500000000 ] - [ -0.0022844200000000, -0.0024549000000000, -0.0071667100000000 ] - [ 0.0033468700000000, -0.0012198500000000, -0.0042709400000000 ] - [ -0.0021477000000000, 0.0005321000000000, -0.0015617600000000 ] - [ 0.0018554500000000, 0.0063209400000000, 0.0050494400000000 ] - [ 0.0010775300000000, -0.0004943700000000, 0.0019864100000000 ] - [ 0.0019041100000000, 0.0022560500000000, -0.0063563900000000 ] - [ 0.0018974200000000, 0.0000679400000000, -0.0006832100000000 ] - [ -0.0001390100000000, -0.0000206100000000, 0.0010832400000000 ] - [ -0.0003047700000000, -0.0000002100000000, 0.0000376800000000 ] - [ -0.0010384600000000, -0.0000680700000000, 0.0013160300000000 ] - [ -0.0020662300000000, -0.0001062400000000, -0.0016157300000000 ] - [ -0.0000468500000000, 0.0000428900000000, 0.0009525400000000 ] - [ 0.0000443500000000, -0.0000636800000000, 0.0007696900000000 ] - [ -0.0006236000000000, 0.0000807300000000, 0.0013130000000000 ] - [ 0.0000618300000000, 0.0000909900000000, 0.0010541100000000 ] - [ 0.0000836200000000, -0.0000009200000000, 0.0011366700000000 ] - [ 0.0001183400000000, 0.0000802100000000, 0.0007908700000000 ] - [ -0.0001509100000000, -0.0000006200000000, 0.0009248900000000 ] - [ 0.0000811700000000, -0.0000882900000000, 0.0010155100000000 ] - [ -0.0001066200000000, 0.0000008900000000, 0.0008525900000000 ] - [ 0.0001810400000000, -0.0000713200000000, 0.0008421600000000 ] - [ -0.0000273100000000, 0.0000011100000000, 0.0012185100000000 ] - [ 0.0002052300000000, 0.0001440800000000, 0.0007681500000000 ] - [ 0.0001314700000000, -0.0000300500000000, 0.0013736000000000 ] - [ 0.0001811700000000, 0.0000703200000000, 0.0008318500000000 ] - [ 0.0000086100000000, -0.0000027900000000, 0.0008624100000000 ] - [ 0.0002285600000000, -0.0001552600000000, 0.0008126900000000 ] - [ -0.0002193600000000, 0.0000139800000000, 0.0009197100000000 ] - [ -0.0000375300000000, 0.0000026300000000, 0.0010683200000000 ] - [ 0.0001112900000000, 0.0000262300000000, 0.0007132100000000 ] - [ 0.0001359800000000, -0.0000315900000000, 0.0006630900000000 ] - [ -0.0008577500000000, 0.0002798200000000, 0.0005972700000000 ] - [ -0.0002578100000000, 0.0002353800000000, -0.0017709500000000 ] - [ 0.0007840200000000, 0.0000728900000000, 0.0014410800000000 ] - [ 0.0004940900000000, 0.0000079600000000, 0.0000717800000000 ] - [ 0.0028436700000000, 0.0051413100000000, 0.0065891200000000 ] - [ 0.0013076600000000, -0.0001973100000000, -0.0014586000000000 ] - [ 0.0004463100000000, -0.0000174200000000, -0.0000133800000000 ] - [ 0.0012558100000000, 0.0000491800000000, -0.0008487600000000 ] - [ -0.0001198000000000, 0.0002752300000000, -0.0016551300000000 ] - [ 0.0007658300000000, 0.0000775800000000, -0.0015987800000000 ] - [ 0.0033853500000000, -0.0025167900000000, -0.0061887400000000 ] - [ 0.0012837800000000, 0.0000201400000000, -0.0007289000000000 ] - [ 0.0000277500000000, -0.0003528900000000, -0.0014063600000000 ] - [ -0.0005318700000000, -0.0000044700000000, 0.0004271600000000 ] - [ 0.0016408500000000, 0.0007696400000000, -0.0050554400000000 ] - [ -0.0068294000000000, -0.0000292500000000, 0.0033223600000000 ] - [ 0.0002041500000000, -0.0000599400000000, 0.0013839900000000 ] - [ 0.0006996500000000, 0.0003438100000000, 0.0013241500000000 ] - [ 0.0005356900000000, -0.0000334300000000, 0.0002554000000000 ] - [ 0.0016079300000000, -0.0000078200000000, -0.0004424600000000 ] - [ -0.0003906400000000, 0.0000164600000000, 0.0008095400000000 ] - [ 0.0001205700000000, -0.0000823500000000, 0.0008007600000000 ] - [ 0.0003027100000000, 0.0000221000000000, 0.0003115200000000 ] - [ 0.0001670500000000, 0.0000736300000000, 0.0007862600000000 ] - [ 0.0000816600000000, -0.0000009000000000, 0.0011378300000000 ] - [ 0.0000449300000000, 0.0000630000000000, 0.0007638000000000 ] - [ -0.0001308600000000, -0.0000014400000000, 0.0008439000000000 ] - [ 0.0001860200000000, -0.0000731900000000, 0.0007570800000000 ] - [ -0.0001166000000000, 0.0000008300000000, 0.0008542400000000 ] - [ 0.0000657300000000, -0.0000620100000000, 0.0008085100000000 ] - [ -0.0000248800000000, 0.0000013900000000, 0.0011077700000000 ] - [ 0.0002282100000000, 0.0001556600000000, 0.0008158400000000 ] - [ -0.0002204000000000, -0.0000089900000000, 0.0011601400000000 ] - [ 0.0000683400000000, 0.0000620400000000, 0.0008016600000000 ] - [ 0.0000160200000000, -0.0000024200000000, 0.0007520900000000 ] - [ 0.0002054400000000, -0.0001439600000000, 0.0007655600000000 ] - [ 0.0001612000000000, 0.0000299700000000, 0.0011152900000000 ] - [ -0.0000367800000000, 0.0000031000000000, 0.0012215100000000 ] - [ 0.0000775900000000, 0.0000262800000000, 0.0011048500000000 ] - [ 0.0000898800000000, -0.0000258200000000, 0.0010446400000000 ]- atom: 66 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0001936300000000, -0.0000272500000000, 0.0010757800000000 ] - [ 0.0023668600000000, 0.0001787200000000, 0.0006353800000000 ] - [ 0.0006206400000000, 0.0030764500000000, -0.0144009500000000 ] - [ -0.0003781900000000, -0.0020542200000000, -0.0143465700000000 ] - [ -0.0002199200000000, -0.0001066500000000, 0.0012236700000000 ] - [ 0.0023102700000000, -0.0003048500000000, 0.0010609100000000 ] - [ 0.0000360300000000, -0.0000013300000000, 0.0008786900000000 ] - [ -0.0000491900000000, -0.0000073900000000, 0.0009787400000000 ] - [ 0.0001380200000000, 0.0000110200000000, 0.0007496900000000 ] - [ 0.0001676400000000, 0.0000022500000000, 0.0009777500000000 ] - [ 0.0002018600000000, -0.0000073700000000, 0.0004746200000000 ] - [ -0.0016580500000000, 0.0011374300000000, 0.0005539100000000 ] - [ 0.0011324100000000, 0.0000068600000000, -0.0017548700000000 ] - [ 0.0008411800000000, 0.0000168900000000, -0.0019073000000000 ] - [ 0.0000082000000000, -0.0000684100000000, 0.0005423200000000 ] - [ -0.0010446100000000, -0.0009321000000000, 0.0004874000000000 ] - [ 0.0000228400000000, -0.0000006300000000, 0.0008466200000000 ] - [ 0.0001363400000000, -0.0000079900000000, 0.0009007300000000 ] - [ -0.0001263800000000, 0.0000115000000000, 0.0008872300000000 ] - [ 0.0001380900000000, 0.0000013300000000, 0.0009402600000000 ] - [ -0.0009594800000000, -0.0002150000000000, 0.0012755800000000 ] - [ 0.0001123800000000, 0.0001468400000000, 0.0021173500000000 ] - [ -0.0026544300000000, -0.0004898700000000, 0.0024529200000000 ] - [ -0.0127802000000000, 0.0231817900000000, -0.0200637600000000 ] - [ -0.0003921400000000, 0.0004522500000000, 0.0057050200000000 ] - [ 0.0001006500000000, -0.0003145600000000, -0.0043663200000000 ] - [ -0.0000557900000000, 0.0000217400000000, 0.0015997800000000 ] - [ -0.0002337300000000, 0.0008005400000000, 0.0048157400000000 ] - [ 0.0014880400000000, -0.0007109300000000, -0.0070323700000000 ] - [ -0.0000301100000000, 0.0000031300000000, 0.0012810300000000 ] - [ -0.0043499800000000, -0.0030040300000000, -0.0049943300000000 ] - [ 0.0009809900000000, -0.0000635000000000, 0.0013074100000000 ] - [ -0.0005751600000000, 0.0000221800000000, 0.0012782000000000 ] - [ -0.0040144400000000, 0.0026009200000000, 0.0028327800000000 ] - [ 0.0001507000000000, -0.0000818400000000, 0.0013284700000000 ] - [ -0.0000124400000000, -0.0000055300000000, 0.0013912500000000 ] - [ 0.0001492200000000, 0.0000821300000000, 0.0013260800000000 ] - [ -0.0000393200000000, -0.0000632600000000, 0.0011720200000000 ] - [ 0.0001337400000000, 0.0000507900000000, 0.0014477300000000 ] - [ 0.0000073400000000, 0.0000002800000000, 0.0013400300000000 ] - [ 0.0012372800000000, -0.0002138700000000, 0.0014262700000000 ] - [ -0.0000024100000000, 0.0001192500000000, 0.0010192500000000 ] - [ 0.0002794200000000, 0.0000392400000000, -0.0004502600000000 ] - [ 0.0017493700000000, 0.0003318900000000, -0.0034674000000000 ] - [ 0.0004811000000000, -0.0000412100000000, -0.0004277900000000 ] - [ -0.0272714400000000, -0.0030903300000000, -0.0303109400000000 ] - [ -0.0000633700000000, 0.0000188400000000, 0.0012764400000000 ] - [ -0.0002374000000000, 0.0002057100000000, -0.0003461000000000 ] - [ -0.0013916400000000, 0.0002660700000000, -0.0052122700000000 ] - [ 0.0000455500000000, 0.0000078400000000, 0.0014216300000000 ] - [ 0.0051056700000000, 0.0010129400000000, -0.0023722400000000 ] - [ -0.0004392400000000, -0.0000167600000000, 0.0014520500000000 ] - [ 0.0007657600000000, 0.0000780700000000, 0.0011821700000000 ] - [ 0.0015226100000000, 0.0000998800000000, -0.0001798100000000 ] - [ 0.0001894400000000, -0.0000730900000000, 0.0012824500000000 ] - [ -0.0001447000000000, -0.0000036700000000, 0.0014348100000000 ] - [ 0.0001869000000000, 0.0000735300000000, 0.0012796400000000 ] - [ 0.0001088800000000, -0.0000505300000000, 0.0014237300000000 ] - [ -0.0000201200000000, 0.0000637500000000, 0.0011878400000000 ] - [ 0.0000066100000000, -0.0000002200000000, 0.0014313600000000 ] - [ -0.0011756100000000, 0.0004328100000000, -0.0021191900000000 ] - [ -0.0017764900000000, 0.0038177100000000, -0.0061586900000000 ] - [ 0.0004353100000000, -0.0000589400000000, -0.0001831400000000 ] - [ 0.0008312200000000, 0.0001675100000000, -0.0016033600000000 ] - [ 0.0001869800000000, 0.0002071600000000, 0.0011664800000000 ] - [ 0.0457750600000000, -0.0269949900000000, 0.0935179900000000 ] - [ 0.0007030200000000, -0.0002598600000000, -0.0014709000000000 ] - [ 0.0065234100000000, 0.0003400600000000, -0.0053835700000000 ] - [ -0.0038647200000000, 0.0092318300000000, -0.0102232300000000 ] - [ 0.0021751500000000, 0.0024398600000000, 0.0072606800000000 ] - [ -0.0034658200000000, 0.0012235900000000, 0.0042851400000000 ] - [ 0.0020290100000000, -0.0005299000000000, 0.0015213500000000 ] - [ -0.0019354400000000, -0.0064049800000000, -0.0051726300000000 ] - [ -0.0011032800000000, 0.0003755300000000, -0.0021288500000000 ] - [ -0.0019233600000000, -0.0022501500000000, 0.0062688100000000 ] - [ -0.0018878500000000, 0.0001534700000000, 0.0007282900000000 ] - [ 0.0002671000000000, 0.0000206500000000, -0.0010540000000000 ] - [ 0.0002865400000000, 0.0001233500000000, -0.0001722100000000 ] - [ 0.0010089900000000, 0.0000673600000000, -0.0012657300000000 ] - [ 0.0020895000000000, -0.0001166200000000, 0.0016609800000000 ] - [ -0.0001234700000000, -0.0000431800000000, -0.0009148900000000 ] - [ -0.0000986900000000, 0.0000922200000000, -0.0008376100000000 ] - [ 0.0004686500000000, -0.0000800100000000, -0.0014718100000000 ] - [ 0.0000130600000000, -0.0000875500000000, -0.0008476300000000 ] - [ 0.0001779400000000, 0.0000009200000000, -0.0011970100000000 ] - [ -0.0001726600000000, -0.0001085100000000, -0.0008609400000000 ] - [ 0.0001746500000000, 0.0000008100000000, -0.0008433000000000 ] - [ -0.0000067000000000, 0.0000850900000000, -0.0008110900000000 ] - [ 0.0001887600000000, -0.0000007200000000, -0.0008320100000000 ] - [ -0.0001418100000000, 0.0001074300000000, -0.0008406700000000 ] - [ 0.0000782700000000, -0.0000010700000000, -0.0011831300000000 ] - [ 0.0000184600000000, -0.0000261100000000, -0.0008090900000000 ] - [ -0.0001647100000000, 0.0000300600000000, -0.0011215500000000 ] - [ -0.0001419100000000, -0.0001063100000000, -0.0008313800000000 ] - [ 0.0003145300000000, 0.0000030900000000, -0.0009412300000000 ] - [ -0.0000054600000000, 0.0000370100000000, -0.0008556600000000 ] - [ 0.0001981800000000, -0.0000138800000000, -0.0006946500000000 ] - [ 0.0000735500000000, -0.0000024900000000, -0.0010895300000000 ] - [ -0.0000129300000000, 0.0000263600000000, -0.0006525500000000 ] - [ -0.0000380000000000, -0.0000209100000000, -0.0006051400000000 ] - [ 0.0008040200000000, -0.0000116600000000, -0.0006031400000000 ] - [ 0.0000533500000000, -0.0002339200000000, 0.0020448200000000 ] - [ -0.0008313500000000, -0.0003391100000000, -0.0014446200000000 ] - [ -0.0005522400000000, -0.0000075800000000, -0.0000927000000000 ] - [ -0.0029651600000000, -0.0050669600000000, -0.0065880500000000 ] - [ -0.0014346000000000, 0.0001779400000000, 0.0015462100000000 ] - [ -0.0002947100000000, 0.0000172800000000, -0.0002262900000000 ] - [ -0.0013630000000000, -0.0000518300000000, 0.0008149100000000 ] - [ -0.0001824500000000, -0.0002764200000000, 0.0018224900000000 ] - [ -0.0008919200000000, -0.0000568500000000, 0.0016836700000000 ] - [ -0.0034416700000000, 0.0025096000000000, 0.0062370300000000 ] - [ -0.0013896500000000, -0.0000165000000000, 0.0006958600000000 ] - [ -0.0000860700000000, 0.0003546600000000, 0.0013517800000000 ] - [ 0.0005145000000000, -0.0001185100000000, -0.0005607100000000 ] - [ -0.0017220500000000, -0.0007849200000000, 0.0049478200000000 ] - [ 0.0069026700000000, 0.0002533500000000, -0.0033041500000000 ] - [ -0.0000774600000000, 0.0000605800000000, -0.0013559200000000 ] - [ -0.0007220200000000, -0.0002228700000000, -0.0014634100000000 ] - [ -0.0005723400000000, 0.0000341500000000, -0.0001992000000000 ] - [ -0.0015713400000000, -0.0002123800000000, 0.0004992800000000 ] - [ 0.0002215500000000, -0.0000164400000000, -0.0007712100000000 ] - [ -0.0001749300000000, 0.0001107800000000, -0.0008688000000000 ] - [ -0.0004615300000000, -0.0000225000000000, -0.0004660100000000 ] - [ -0.0000926100000000, -0.0000705200000000, -0.0005782500000000 ] - [ 0.0001798500000000, 0.0000010000000000, -0.0011982800000000 ] - [ -0.0000993700000000, -0.0000913100000000, -0.0008334800000000 ] - [ 0.0001542300000000, 0.0000015700000000, -0.0007623200000000 ] - [ -0.0001115400000000, 0.0000704200000000, -0.0005512900000000 ] - [ 0.0001986600000000, -0.0000007500000000, -0.0008337500000000 ] - [ -0.0000269500000000, 0.0000983400000000, -0.0008071400000000 ] - [ 0.0000765900000000, -0.0000012400000000, -0.0010717800000000 ] - [ -0.0000049000000000, -0.0000370000000000, -0.0008565500000000 ] - [ 0.0001857700000000, 0.0000090500000000, -0.0009090700000000 ] - [ -0.0000296900000000, -0.0000982600000000, -0.0008013500000000 ] - [ 0.0003072300000000, 0.0000026100000000, -0.0008313600000000 ] - [ 0.0000181900000000, 0.0000261200000000, -0.0008087200000000 ] - [ -0.0001809300000000, -0.0000298300000000, -0.0008890800000000 ] - [ 0.0000725400000000, -0.0000030500000000, -0.0012423200000000 ] - [ 0.0000204000000000, 0.0000263200000000, -0.0010425400000000 ] - [ 0.0000079300000000, -0.0000266800000000, -0.0009851500000000 ]- atom: 67 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0108476000000000, 0.0000000000000000, 0.0029055900000000 ] - [ -0.0026371400000000, 0.0000000000000000, 0.0025788400000000 ] - [ 0.0001267600000000, 0.0000000000000000, 0.0003907100000000 ] - [ 0.0030972600000000, 0.0000000000000000, -0.0000656500000000 ] - [ 0.0000182400000000, 0.0000000000000000, 0.0000024700000000 ] - [ 0.0001097000000000, 0.0000000000000000, -0.0000564500000000 ] - [ 0.0001136600000000, 0.0000000000000000, -0.0000261500000000 ] - [ -0.0000163200000000, 0.0000000000000000, -0.0000053400000000 ] - [ -0.0014860800000000, 0.0000000000000000, 0.0001004300000000 ] - [ -0.0000125600000000, 0.0000000000000000, -0.0002397600000000 ] - [ -0.0021039400000000, 0.0000000000000000, -0.0000033600000000 ] - [ 0.0085218600000000, 0.0000000000000000, -0.0000499600000000 ] - [ -0.0003015400000000, 0.0000000000000000, -0.0002173400000000 ] - [ -0.0011285900000000, 0.0000000000000000, 0.0001131300000000 ] - [ -0.0000333900000000, 0.0000000000000000, 0.0000131200000000 ] - [ -0.0000114400000000, 0.0000000000000000, 0.0000980800000000 ] - [ -0.0000693200000000, 0.0000000000000000, 0.0001017900000000 ] - [ 0.0000210800000000, 0.0000000000000000, -0.0000045900000000 ] - [ 0.0017266500000000, 0.0000000000000000, -0.0005852600000000 ] - [ 0.0001939600000000, 0.0000000000000000, 0.0002321500000000 ] - [ 0.0026946100000000, 0.0000000000000000, 0.0021148600000000 ] - [ 0.0030730700000000, 0.0000000000000000, -0.0033650700000000 ] - [ 0.0208993900000000, 0.0156272400000000, -0.0117157800000000 ] - [ 0.0003468200000000, 0.0000000000000000, 0.0011989600000000 ] - [ 0.0208993900000000, -0.0156272400000000, -0.0117157800000000 ] - [ -0.0005639600000000, -0.0001266300000000, 0.0002759000000000 ] - [ 0.0000121200000000, 0.0000000000000000, 0.0000312200000000 ] - [ 0.0000204700000000, 0.0000000000000000, 0.0000680700000000 ] - [ 0.0006365300000000, -0.0002100000000000, -0.0003640500000000 ] - [ 0.0000135600000000, 0.0000000000000000, 0.0000105800000000 ] - [ -0.0008022200000000, 0.0000000000000000, -0.0013425500000000 ] - [ 0.0000447100000000, -0.0000391300000000, -0.0000057300000000 ] - [ 0.0000053700000000, 0.0000473600000000, 0.0000500900000000 ] - [ 0.0000491800000000, 0.0000000000000000, 0.0001752500000000 ] - [ 0.0000316800000000, 0.0000149100000000, -0.0000446800000000 ] - [ -0.0008603900000000, 0.0000000000000000, 0.0000426200000000 ] - [ 0.0000316800000000, -0.0000149100000000, -0.0000446800000000 ] - [ -0.0004555900000000, 0.0009929200000000, 0.0017061400000000 ] - [ -0.0003447600000000, -0.0000044000000000, -0.0016289100000000 ] - [ -0.0001023800000000, 0.0000000000000000, 0.0005386500000000 ] - [ -0.0089282100000000, 0.0000000000000000, -0.0028999200000000 ] - [ -0.0056478700000000, 0.0000000000000000, 0.0027876300000000 ] - [ -0.0044687900000000, -0.0000879200000000, -0.0017039800000000 ] - [ -0.0006837300000000, 0.0000000000000000, -0.0011334100000000 ] - [ -0.0044687900000000, 0.0000879200000000, -0.0017039800000000 ] - [ 0.0006365300000000, 0.0002100000000000, -0.0003640500000000 ] - [ -0.0000196900000000, 0.0000000000000000, 0.0000821300000000 ] - [ -0.0001097000000000, 0.0000000000000000, 0.0000628900000000 ] - [ -0.0005639600000000, 0.0001266300000000, 0.0002759000000000 ] - [ 0.0000963200000000, 0.0000000000000000, -0.0000577200000000 ] - [ -0.0044208300000000, 0.0000000000000000, 0.0015810900000000 ] - [ 0.0000053700000000, -0.0000473600000000, 0.0000500900000000 ] - [ 0.0000447100000000, 0.0000391300000000, -0.0000057300000000 ] - [ -0.0002436100000000, 0.0000000000000000, -0.0000444300000000 ] - [ 0.0002353800000000, -0.0000325900000000, 0.0000805500000000 ] - [ 0.0009511500000000, 0.0000000000000000, 0.0000035400000000 ] - [ 0.0002353800000000, 0.0000325900000000, 0.0000805500000000 ] - [ -0.0003447600000000, 0.0000044000000000, -0.0016289100000000 ] - [ -0.0004555900000000, -0.0009929200000000, 0.0017061400000000 ] - [ 0.0002337600000000, 0.0000000000000000, -0.0004557000000000 ] - [ 0.0070879000000000, 0.0052955300000000, 0.0011229600000000 ] - [ -0.0009829700000000, 0.0000000000000000, -0.0012859000000000 ] - [ 0.0086979900000000, -0.0048074900000000, 0.0000686900000000 ] - [ -0.0064705100000000, 0.0000000000000000, 0.0010282700000000 ] - [ 0.0011479300000000, 0.0000000000000000, 0.0009546300000000 ] - [ -0.0010016600000000, -0.0002070200000000, -0.0004564200000000 ] - [ -0.0743329300000000, 0.0000000000000000, 0.0185824600000000 ] - [ -0.0027674000000000, 0.0032244000000000, 0.0044866000000000 ] - [ -0.0003133400000000, 0.0000000000000000, 0.0000037900000000 ] - [ -0.0010016600000000, 0.0002070200000000, -0.0004564200000000 ] - [ 0.0002908000000000, 0.0000000000000000, -0.0003255400000000 ] - [ -0.0027674000000000, -0.0032244000000000, 0.0044866000000000 ] - [ -0.0002660900000000, 0.0000000000000000, -0.0000302400000000 ] - [ -0.0000465100000000, -0.0000514100000000, -0.0000762800000000 ] - [ -0.0000558700000000, 0.0000000000000000, 0.0012183000000000 ] - [ 0.0000784200000000, 0.0001716100000000, 0.0001967500000000 ] - [ 0.0000785200000000, 0.0000000000000000, -0.0000272800000000 ] - [ 0.0000149400000000, 0.0000619000000000, -0.0001064300000000 ] - [ -0.0000241300000000, 0.0000000000000000, -0.0000265600000000 ] - [ -0.0000542000000000, -0.0000515100000000, -0.0001633400000000 ] - [ -0.0001005800000000, 0.0000000000000000, 0.0000087000000000 ] - [ 0.0000065400000000, 0.0000124000000000, -0.0000616900000000 ] - [ -0.0000945800000000, 0.0000000000000000, -0.0001603600000000 ] - [ 0.0000319800000000, 0.0000021900000000, 0.0000821000000000 ] - [ 0.0002592700000000, 0.0000000000000000, 0.0000013600000000 ] - [ -0.0000683000000000, -0.0000241000000000, -0.0000517900000000 ] - [ 0.0000232000000000, 0.0000000000000000, 0.0000583600000000 ] - [ 0.0000319800000000, -0.0000021900000000, 0.0000821000000000 ] - [ 0.0002706800000000, 0.0000000000000000, -0.0000540700000000 ] - [ 0.0006425400000000, -0.0000390400000000, 0.0003411500000000 ] - [ 0.0000444300000000, 0.0000000000000000, 0.0000299000000000 ] - [ 0.0000652800000000, 0.0000152700000000, -0.0002089600000000 ] - [ 0.0010228100000000, 0.0000000000000000, 0.0017199200000000 ] - [ 0.0006425400000000, 0.0000390400000000, 0.0003411500000000 ] - [ -0.0001408900000000, 0.0000000000000000, 0.0005494300000000 ] - [ 0.0001560100000000, -0.0001027700000000, 0.0001371600000000 ] - [ 0.0020205600000000, 0.0000000000000000, -0.0050240400000000 ] - [ 0.0005510200000000, 0.0000000000000000, -0.0010558100000000 ] - [ 0.0014525800000000, 0.0002944300000000, -0.0005965600000000 ] - [ 0.0014525800000000, -0.0002944300000000, -0.0005965600000000 ] - [ 0.0086979900000000, 0.0048074900000000, 0.0000686900000000 ] - [ 0.0015671100000000, 0.0000000000000000, 0.0019096900000000 ] - [ 0.0070879000000000, -0.0052955300000000, 0.0011229600000000 ] - [ 0.0041578000000000, 0.0000000000000000, -0.0002748300000000 ] - [ 0.0032288700000000, 0.0000000000000000, -0.0089999300000000 ] - [ 0.0004782700000000, -0.0000857100000000, 0.0003370700000000 ] - [ 0.0039494400000000, 0.0000000000000000, -0.0001985500000000 ] - [ 0.0018303000000000, 0.0003611800000000, -0.0001879400000000 ] - [ -0.0000003900000000, 0.0000000000000000, 0.0000893500000000 ] - [ 0.0004782700000000, 0.0000857100000000, 0.0003370700000000 ] - [ -0.0003137200000000, 0.0000000000000000, 0.0006051900000000 ] - [ 0.0018303000000000, -0.0003611800000000, -0.0001879400000000 ] - [ 0.0002256000000000, 0.0000000000000000, -0.0001557600000000 ] - [ 0.0000149400000000, -0.0000619000000000, -0.0001064300000000 ] - [ 0.0006022900000000, 0.0000000000000000, -0.0012386200000000 ] - [ -0.0000542000000000, 0.0000515100000000, -0.0001633400000000 ] - [ 0.0000536600000000, 0.0000000000000000, -0.0000011400000000 ] - [ -0.0000465100000000, 0.0000514100000000, -0.0000762800000000 ] - [ 0.0000040400000000, 0.0000000000000000, 0.0000415000000000 ] - [ 0.0000784200000000, -0.0001716100000000, 0.0001967500000000 ] - [ -0.0000646800000000, 0.0000000000000000, -0.0000188700000000 ] - [ -0.0000683000000000, 0.0000241000000000, -0.0000517900000000 ] - [ -0.0000564000000000, 0.0000000000000000, -0.0000599000000000 ] - [ 0.0000374600000000, 0.0000016300000000, 0.0000813800000000 ] - [ 0.0000024800000000, 0.0000000000000000, -0.0001084400000000 ] - [ 0.0000065400000000, -0.0000124000000000, -0.0000616900000000 ] - [ 0.0000121000000000, 0.0000000000000000, -0.0000168700000000 ] - [ 0.0000374600000000, -0.0000016300000000, 0.0000813800000000 ] - [ -0.0001661000000000, 0.0000000000000000, -0.0000105600000000 ] - [ -0.0007862300000000, -0.0000605100000000, -0.0004256800000000 ] - [ 0.0000104000000000, 0.0000000000000000, -0.0000627400000000 ] - [ 0.0001560100000000, 0.0001027700000000, 0.0001371600000000 ] - [ -0.0008685900000000, 0.0000000000000000, -0.0010768300000000 ] - [ -0.0007862300000000, 0.0000605100000000, -0.0004256800000000 ] - [ 0.0004899400000000, 0.0000000000000000, -0.0005050500000000 ] - [ 0.0000652800000000, -0.0000152700000000, -0.0002089600000000 ] - [ 0.0009980400000000, 0.0000000000000000, 0.0015983200000000 ] - [ -0.0001053100000000, 0.0000000000000000, 0.0008673200000000 ] - [ -0.0015272500000000, 0.0010288400000000, 0.0022168100000000 ] - [ -0.0015272500000000, -0.0010288400000000, 0.0022168100000000 ]- atom: 67 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0108260600000000, 0.0000000000000000, -0.0032246400000000 ] - [ 0.0024846900000000, 0.0000000000000000, -0.0025949600000000 ] - [ -0.0002432200000000, 0.0000000000000000, -0.0004087900000000 ] - [ -0.0032840800000000, 0.0000000000000000, 0.0001413600000000 ] - [ -0.0000326700000000, 0.0000000000000000, -0.0000336000000000 ] - [ -0.0000389800000000, 0.0000000000000000, 0.0000487800000000 ] - [ -0.0000691300000000, 0.0000000000000000, 0.0000641700000000 ] - [ 0.0000199700000000, 0.0000000000000000, -0.0000553100000000 ] - [ 0.0014384600000000, 0.0000000000000000, -0.0001797300000000 ] - [ 0.0002586100000000, 0.0000000000000000, 0.0001964500000000 ] - [ 0.0021733900000000, 0.0000000000000000, -0.0001578600000000 ] - [ -0.0097003200000000, 0.0000000000000000, -0.0007556100000000 ] - [ 0.0001805900000000, 0.0000000000000000, 0.0001993800000000 ] - [ 0.0009299900000000, 0.0000000000000000, -0.0000233100000000 ] - [ 0.0000193900000000, 0.0000000000000000, -0.0000433400000000 ] - [ 0.0000821500000000, 0.0000000000000000, -0.0001059200000000 ] - [ 0.0001133100000000, 0.0000000000000000, -0.0000641000000000 ] - [ -0.0000178500000000, 0.0000000000000000, -0.0000562700000000 ] - [ -0.0017829300000000, 0.0000000000000000, 0.0005150100000000 ] - [ 0.0000497000000000, 0.0000000000000000, -0.0002757500000000 ] - [ -0.0026147900000000, 0.0000000000000000, -0.0021505000000000 ] - [ -0.0028630800000000, 0.0000000000000000, 0.0033436800000000 ] - [ -0.0208545100000000, -0.0155462200000000, 0.0113700300000000 ] - [ -0.0006525000000000, 0.0000000000000000, -0.0010760100000000 ] - [ -0.0208545100000000, 0.0155462200000000, 0.0113700300000000 ] - [ 0.0004955000000000, 0.0003069000000000, -0.0002942500000000 ] - [ -0.0000141300000000, 0.0000000000000000, 0.0000088700000000 ] - [ -0.0001093400000000, 0.0000000000000000, -0.0000136400000000 ] - [ -0.0007041400000000, 0.0000281500000000, 0.0003401100000000 ] - [ 0.0000928500000000, 0.0000000000000000, -0.0001343800000000 ] - [ 0.0004348700000000, 0.0000000000000000, 0.0013480000000000 ] - [ 0.0000006300000000, -0.0000431300000000, -0.0000178700000000 ] - [ 0.0000403300000000, 0.0000348800000000, -0.0000738800000000 ] - [ -0.0001756200000000, 0.0000000000000000, -0.0001159300000000 ] - [ 0.0002407400000000, -0.0000434500000000, 0.0000076800000000 ] - [ 0.0007851400000000, 0.0000000000000000, -0.0000568600000000 ] - [ 0.0002407400000000, 0.0000434500000000, 0.0000076800000000 ] - [ 0.0005014000000000, -0.0009680900000000, -0.0017938100000000 ] - [ 0.0004075700000000, -0.0000233200000000, 0.0015448400000000 ] - [ 0.0001935300000000, 0.0000000000000000, -0.0005672700000000 ] - [ 0.0090012800000000, 0.0000000000000000, 0.0028431100000000 ] - [ 0.0058278700000000, 0.0000000000000000, -0.0028190000000000 ] - [ 0.0045077000000000, -0.0002117900000000, 0.0016962300000000 ] - [ 0.0003655700000000, 0.0000000000000000, 0.0012642600000000 ] - [ 0.0045077000000000, 0.0002117900000000, 0.0016962300000000 ] - [ -0.0007041400000000, -0.0000281500000000, 0.0003401100000000 ] - [ 0.0000178500000000, 0.0000000000000000, -0.0000418600000000 ] - [ 0.0000225200000000, 0.0000000000000000, -0.0000079600000000 ] - [ 0.0004955000000000, -0.0003069000000000, -0.0002942500000000 ] - [ 0.0000103200000000, 0.0000000000000000, -0.0000664700000000 ] - [ 0.0040843600000000, 0.0000000000000000, -0.0015664100000000 ] - [ 0.0000403300000000, -0.0000348800000000, -0.0000738800000000 ] - [ 0.0000006300000000, 0.0000431300000000, -0.0000178700000000 ] - [ 0.0001148700000000, 0.0000000000000000, 0.0001039300000000 ] - [ 0.0000360400000000, 0.0000041100000000, -0.0001175500000000 ] - [ -0.0010303800000000, 0.0000000000000000, -0.0000136400000000 ] - [ 0.0000360400000000, -0.0000041100000000, -0.0001175500000000 ] - [ 0.0004075700000000, 0.0000233200000000, 0.0015448400000000 ] - [ 0.0005014000000000, 0.0009680900000000, -0.0017938100000000 ] - [ -0.0001432700000000, 0.0000000000000000, 0.0004310100000000 ] - [ -0.0070762000000000, -0.0049513900000000, -0.0011256500000000 ] - [ 0.0007622200000000, 0.0000000000000000, 0.0015787500000000 ] - [ -0.0088271600000000, 0.0045982600000000, -0.0000775800000000 ] - [ 0.0064147100000000, 0.0000000000000000, -0.0010556300000000 ] - [ -0.0012852600000000, 0.0000000000000000, -0.0010448800000000 ] - [ 0.0008726700000000, 0.0001875200000000, 0.0005461000000000 ] - [ 0.0755428100000000, 0.0000000000000000, -0.0171755900000000 ] - [ 0.0026881600000000, -0.0032113500000000, -0.0044967000000000 ] - [ 0.0000107300000000, 0.0000000000000000, 0.0001576300000000 ] - [ 0.0008726700000000, -0.0001875200000000, 0.0005461000000000 ] - [ -0.0003825700000000, 0.0000000000000000, 0.0003455300000000 ] - [ 0.0026881600000000, 0.0032113500000000, -0.0044967000000000 ] - [ 0.0002050100000000, 0.0000000000000000, -0.0000303900000000 ] - [ 0.0000269300000000, -0.0000690500000000, -0.0000587600000000 ] - [ 0.0000143000000000, 0.0000000000000000, -0.0013088800000000 ] - [ -0.0000600700000000, 0.0000517900000000, -0.0001616300000000 ] - [ 0.0000498700000000, 0.0000000000000000, 0.0000570900000000 ] - [ -0.0000342300000000, 0.0000584900000000, -0.0000295700000000 ] - [ -0.0000090700000000, 0.0000000000000000, 0.0000800200000000 ] - [ 0.0000706400000000, -0.0001707100000000, 0.0001972900000000 ] - [ -0.0000694500000000, 0.0000000000000000, 0.0000288000000000 ] - [ -0.0000605400000000, 0.0000168000000000, -0.0000068200000000 ] - [ -0.0000640300000000, 0.0000000000000000, 0.0000018500000000 ] - [ 0.0000417000000000, 0.0000020900000000, 0.0001234800000000 ] - [ 0.0000024900000000, 0.0000000000000000, -0.0000620500000000 ] - [ 0.0000146700000000, -0.0000048500000000, -0.0000169700000000 ] - [ 0.0000006800000000, 0.0000000000000000, 0.0000236600000000 ] - [ 0.0000417000000000, -0.0000020900000000, 0.0001234800000000 ] - [ -0.0001892500000000, 0.0000000000000000, 0.0000746100000000 ] - [ -0.0006047900000000, 0.0000751800000000, -0.0003382900000000 ] - [ 0.0000058100000000, 0.0000000000000000, 0.0000055500000000 ] - [ 0.0001578900000000, 0.0001030400000000, 0.0001667400000000 ] - [ -0.0010604700000000, 0.0000000000000000, -0.0014605500000000 ] - [ -0.0006047900000000, -0.0000751800000000, -0.0003382900000000 ] - [ 0.0004623700000000, 0.0000000000000000, -0.0006310100000000 ] - [ 0.0000656200000000, -0.0000159700000000, -0.0001802600000000 ] - [ -0.0020355000000000, 0.0000000000000000, 0.0052707800000000 ] - [ -0.0005148400000000, 0.0000000000000000, 0.0010392900000000 ] - [ -0.0013553800000000, -0.0002424800000000, 0.0006611300000000 ] - [ -0.0013553800000000, 0.0002424800000000, 0.0006611300000000 ] - [ -0.0088271600000000, -0.0045982600000000, -0.0000775800000000 ] - [ -0.0017656700000000, 0.0000000000000000, -0.0016381600000000 ] - [ -0.0070762000000000, 0.0049513900000000, -0.0011256500000000 ] - [ -0.0042202500000000, 0.0000000000000000, 0.0002558900000000 ] - [ -0.0033774400000000, 0.0000000000000000, 0.0088386300000000 ] - [ -0.0006026300000000, 0.0000681800000000, -0.0002512600000000 ] - [ -0.0038060100000000, 0.0000000000000000, -0.0000409000000000 ] - [ -0.0019437900000000, -0.0003627900000000, 0.0001567500000000 ] - [ -0.0003009200000000, 0.0000000000000000, 0.0000705000000000 ] - [ -0.0006026300000000, -0.0000681800000000, -0.0002512600000000 ] - [ 0.0002273400000000, 0.0000000000000000, -0.0005800100000000 ] - [ -0.0019437900000000, 0.0003627900000000, 0.0001567500000000 ] - [ -0.0002854100000000, 0.0000000000000000, 0.0000934400000000 ] - [ -0.0000342300000000, -0.0000584900000000, -0.0000295700000000 ] - [ -0.0006464700000000, 0.0000000000000000, 0.0011364400000000 ] - [ 0.0000706400000000, 0.0001707100000000, 0.0001972900000000 ] - [ 0.0000745100000000, 0.0000000000000000, 0.0000308400000000 ] - [ 0.0000269300000000, 0.0000690500000000, -0.0000587600000000 ] - [ -0.0000365200000000, 0.0000000000000000, 0.0000123600000000 ] - [ -0.0000600700000000, -0.0000517900000000, -0.0001616300000000 ] - [ -0.0001051700000000, 0.0000000000000000, 0.0000563800000000 ] - [ 0.0000146700000000, 0.0000048500000000, -0.0000169700000000 ] - [ -0.0001015000000000, 0.0000000000000000, -0.0000985400000000 ] - [ 0.0000364800000000, 0.0000018000000000, 0.0001243900000000 ] - [ 0.0002600900000000, 0.0000000000000000, 0.0000467800000000 ] - [ -0.0000605400000000, -0.0000168000000000, -0.0000068200000000 ] - [ 0.0000120700000000, 0.0000000000000000, 0.0000988500000000 ] - [ 0.0000364800000000, -0.0000018000000000, 0.0001243900000000 ] - [ 0.0002489900000000, 0.0000000000000000, 0.0000298300000000 ] - [ 0.0008284000000000, 0.0000973800000000, 0.0004272400000000 ] - [ 0.0000401500000000, 0.0000000000000000, 0.0000991600000000 ] - [ 0.0000656200000000, 0.0000159700000000, -0.0001802600000000 ] - [ 0.0008423900000000, 0.0000000000000000, 0.0013296500000000 ] - [ 0.0008284000000000, -0.0000973800000000, 0.0004272400000000 ] - [ -0.0001659100000000, 0.0000000000000000, 0.0004273500000000 ] - [ 0.0001578900000000, -0.0001030400000000, 0.0001667400000000 ] - [ -0.0010262800000000, 0.0000000000000000, -0.0013655000000000 ] - [ 0.0001391900000000, 0.0000000000000000, -0.0008932500000000 ] - [ 0.0016050600000000, -0.0009853400000000, -0.0021727500000000 ] - [ 0.0016050600000000, 0.0009853400000000, -0.0021727500000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000325000000000, 0.0097293400000000, -0.0001685300000000 ] - [ -0.0000787800000000, -0.0022270500000000, -0.0000148800000000 ] - [ -0.0000592200000000, 0.0001221800000000, -0.0000099300000000 ] - [ -0.0001056300000000, 0.0026482600000000, 0.0000393500000000 ] - [ -0.0000073200000000, 0.0000011700000000, -0.0000153200000000 ] - [ 0.0000350600000000, 0.0000201600000000, -0.0000035700000000 ] - [ 0.0000219800000000, -0.0000078600000000, 0.0000186300000000 ] - [ 0.0000015900000000, -0.0000002900000000, -0.0000303800000000 ] - [ -0.0000259500000000, 0.0000585100000000, -0.0000383700000000 ] - [ 0.0001219300000000, -0.0000174400000000, -0.0000219500000000 ] - [ 0.0000318000000000, -0.0003018100000000, -0.0000776200000000 ] - [ -0.0000673200000000, 0.0095274100000000, -0.0000118200000000 ] - [ -0.0000583600000000, 0.0000270300000000, -0.0000089100000000 ] - [ -0.0000985700000000, -0.0000593000000000, 0.0000435900000000 ] - [ -0.0000069900000000, 0.0000011500000000, -0.0000150500000000 ] - [ 0.0000351100000000, 0.0000112600000000, -0.0000042100000000 ] - [ 0.0000216800000000, -0.0000034100000000, 0.0000187900000000 ] - [ 0.0000014800000000, 0.0000002300000000, -0.0000304500000000 ] - [ -0.0000255300000000, -0.0010830400000000, -0.0000398500000000 ] - [ 0.0001221200000000, -0.0000359500000000, -0.0000218100000000 ] - [ 0.0000998400000000, -0.0068992800000000, -0.0000262700000000 ] - [ 0.0000603000000000, -0.0065207200000000, -0.0000208700000000 ] - [ 0.0144349000000000, 0.0290040000000000, -0.0189519600000000 ] - [ -0.0001558700000000, -0.0003931500000000, 0.0000636200000000 ] - [ -0.0134455600000000, 0.0279620100000000, 0.0176588400000000 ] - [ -0.0000431600000000, 0.0000896100000000, 0.0000008900000000 ] - [ 0.0000003900000000, 0.0000003300000000, 0.0000210400000000 ] - [ -0.0000458400000000, -0.0000009400000000, 0.0000264400000000 ] - [ 0.0000979500000000, -0.0000978700000000, 0.0002738700000000 ] - [ 0.0000518600000000, 0.0000015700000000, -0.0000628900000000 ] - [ -0.0001719400000000, -0.0065738700000000, 0.0000070100000000 ] - [ 0.0000211000000000, -0.0000412400000000, -0.0000138700000000 ] - [ 0.0000231600000000, 0.0000413000000000, -0.0000109400000000 ] - [ -0.0000628200000000, -0.0000350500000000, 0.0000301600000000 ] - [ 0.0001438600000000, -0.0000134400000000, -0.0000129200000000 ] - [ -0.0000407500000000, 0.0000017800000000, -0.0000069700000000 ] - [ 0.0001275300000000, 0.0000143200000000, -0.0000244600000000 ] - [ 0.0000524800000000, 0.0000555700000000, -0.0001409600000000 ] - [ -0.0009865000000000, 0.0000615200000000, -0.0007516800000000 ] - [ 0.0000475500000000, 0.0000112600000000, -0.0000105700000000 ] - [ 0.0000680600000000, 0.0049017000000000, -0.0000153900000000 ] - [ 0.0000704400000000, 0.0019495000000000, -0.0000071600000000 ] - [ -0.0009009900000000, -0.0001562000000000, -0.0007956500000000 ] - [ -0.0001540500000000, 0.0003418900000000, 0.0000631700000000 ] - [ 0.0009373700000000, 0.0001393500000000, 0.0007768600000000 ] - [ -0.0001698100000000, 0.0000829700000000, -0.0002932400000000 ] - [ 0.0000005400000000, -0.0000007800000000, 0.0000212500000000 ] - [ -0.0000450100000000, 0.0000016400000000, 0.0000260200000000 ] - [ -0.0000252000000000, -0.0000923600000000, -0.0000219400000000 ] - [ 0.0000519400000000, 0.0000010500000000, -0.0000630300000000 ] - [ -0.0001573800000000, -0.0001036400000000, 0.0000038600000000 ] - [ 0.0000220200000000, -0.0000409400000000, -0.0000123300000000 ] - [ 0.0000239100000000, 0.0000411400000000, -0.0000093300000000 ] - [ -0.0000621800000000, -0.0000505300000000, 0.0000305600000000 ] - [ 0.0001397500000000, -0.0000138900000000, -0.0000147000000000 ] - [ -0.0000391800000000, 0.0001427300000000, -0.0000065300000000 ] - [ 0.0001322800000000, 0.0000138800000000, -0.0000224200000000 ] - [ 0.0010363100000000, 0.0000889400000000, 0.0006652700000000 ] - [ -0.0000022000000000, 0.0000165200000000, 0.0000573700000000 ] - [ 0.0000475800000000, 0.0000600500000000, -0.0000119100000000 ] - [ 0.0071002700000000, 0.0027549400000000, 0.0017286500000000 ] - [ -0.0001088900000000, 0.0015991800000000, 0.0001507000000000 ] - [ -0.0053889200000000, 0.0012670400000000, 0.0000912800000000 ] - [ -0.0000336700000000, 0.0243145600000000, 0.0000110900000000 ] - [ -0.0000759600000000, 0.0009763600000000, -0.0000388800000000 ] - [ -0.0004163700000000, -0.0000600000000000, 0.0003605400000000 ] - [ -0.0009000600000000, -0.1011675000000000, 0.0012491200000000 ] - [ 0.0046500000000000, 0.0038848800000000, 0.0090572400000000 ] - [ -0.0001514700000000, 0.0000007000000000, 0.0000791600000000 ] - [ 0.0002943800000000, -0.0000408000000000, -0.0002690300000000 ] - [ -0.0000460500000000, 0.0000231800000000, 0.0000103800000000 ] - [ -0.0048041600000000, 0.0038553400000000, -0.0091462700000000 ] - [ -0.0000292400000000, 0.0000058500000000, -0.0000305600000000 ] - [ -0.0000114700000000, -0.0000630300000000, -0.0000633100000000 ] - [ -0.0000213900000000, 0.0008078800000000, -0.0000505800000000 ] - [ 0.0000484600000000, 0.0001272300000000, 0.0000818400000000 ] - [ 0.0000632300000000, -0.0000002500000000, 0.0000131800000000 ] - [ -0.0000072600000000, 0.0000624400000000, -0.0000696500000000 ] - [ -0.0000186100000000, -0.0000023000000000, 0.0000268200000000 ] - [ 0.0000290300000000, -0.0001098300000000, -0.0000097200000000 ] - [ -0.0000831500000000, -0.0000001000000000, 0.0000191500000000 ] - [ -0.0000267600000000, 0.0000120400000000, -0.0000322700000000 ] - [ -0.0000786400000000, 0.0000020400000000, -0.0000776100000000 ] - [ 0.0000363400000000, -0.0000003300000000, 0.0001041100000000 ] - [ 0.0001300200000000, -0.0000048400000000, -0.0000309000000000 ] - [ -0.0000253300000000, -0.0000122800000000, -0.0000352400000000 ] - [ 0.0000101700000000, -0.0000034800000000, 0.0000407800000000 ] - [ 0.0000362300000000, 0.0000003800000000, 0.0001013900000000 ] - [ 0.0000433200000000, 0.0000046000000000, 0.0000105500000000 ] - [ 0.0000598500000000, 0.0000083200000000, 0.0000186600000000 ] - [ 0.0000263600000000, 0.0000048700000000, 0.0000198100000000 ] - [ 0.0001054500000000, 0.0000560000000000, -0.0000117500000000 ] - [ -0.0000174700000000, -0.0007097400000000, 0.0001256300000000 ] - [ -0.0000204300000000, -0.0000243000000000, -0.0000158100000000 ] - [ 0.0001607900000000, -0.0003994300000000, -0.0000388200000000 ] - [ 0.0000946100000000, -0.0000467300000000, -0.0000468500000000 ] - [ 0.0000016100000000, -0.0016611700000000, 0.0000974400000000 ] - [ 0.0000212700000000, 0.0000090000000000, -0.0000097900000000 ] - [ 0.0000823900000000, 0.0000098100000000, -0.0002701600000000 ] - [ 0.0000195900000000, -0.0000426300000000, 0.0003276300000000 ] - [ 0.0053150400000000, 0.0015615600000000, -0.0001048900000000 ] - [ -0.0000982500000000, -0.0008846600000000, 0.0001433500000000 ] - [ -0.0070849400000000, 0.0024961400000000, -0.0017205700000000 ] - [ -0.0000279000000000, -0.0009697700000000, -0.0000113900000000 ] - [ -0.0000884000000000, -0.0058285800000000, -0.0000274800000000 ] - [ -0.0000580400000000, -0.0000244300000000, 0.0000268500000000 ] - [ 0.0000739000000000, 0.0012498000000000, -0.0001203400000000 ] - [ 0.0001030700000000, -0.0000351500000000, -0.0003082100000000 ] - [ -0.0001516600000000, 0.0000052100000000, 0.0000788800000000 ] - [ -0.0000677500000000, -0.0000036600000000, 0.0000619400000000 ] - [ -0.0000458000000000, -0.0007485400000000, 0.0000087800000000 ] - [ -0.0002212600000000, -0.0000314700000000, 0.0002795500000000 ] - [ -0.0000301300000000, -0.0000065900000000, -0.0000303800000000 ] - [ -0.0000109000000000, -0.0000627600000000, -0.0000646900000000 ] - [ -0.0000237700000000, 0.0000289200000000, -0.0000466900000000 ] - [ -0.0000123000000000, 0.0001114000000000, 0.0000442300000000 ] - [ 0.0000631300000000, 0.0000000400000000, 0.0000131300000000 ] - [ -0.0000065100000000, 0.0000621900000000, -0.0000708800000000 ] - [ -0.0000185800000000, -0.0000068600000000, 0.0000267000000000 ] - [ -0.0000321600000000, -0.0000936400000000, -0.0000485300000000 ] - [ -0.0000830600000000, 0.0000001100000000, 0.0000192000000000 ] - [ -0.0000278300000000, 0.0000121500000000, -0.0000324600000000 ] - [ -0.0000786400000000, 0.0000074300000000, -0.0000777500000000 ] - [ 0.0000366000000000, -0.0000003900000000, 0.0001043000000000 ] - [ 0.0001298400000000, 0.0000012300000000, -0.0000309500000000 ] - [ -0.0000263600000000, -0.0000124800000000, -0.0000355200000000 ] - [ 0.0000101300000000, -0.0000010800000000, 0.0000406500000000 ] - [ 0.0000360100000000, 0.0000005900000000, 0.0001011800000000 ] - [ 0.0000429500000000, -0.0000047200000000, 0.0000107200000000 ] - [ -0.0001540200000000, 0.0000114200000000, 0.0000815700000000 ] - [ 0.0000264200000000, 0.0000013500000000, 0.0000197600000000 ] - [ 0.0001268100000000, 0.0000656000000000, 0.0000047300000000 ] - [ -0.0000217200000000, 0.0005086400000000, 0.0001304800000000 ] - [ 0.0001910800000000, -0.0000194500000000, -0.0000797500000000 ] - [ 0.0001604700000000, 0.0000311700000000, -0.0000393800000000 ] - [ 0.0001158400000000, -0.0000560700000000, -0.0000310800000000 ] - [ -0.0000100900000000, 0.0009042700000000, 0.0001127700000000 ] - [ 0.0000196900000000, 0.0005894200000000, -0.0000067100000000 ] - [ 0.0017502100000000, 0.0016694600000000, 0.0034661700000000 ] - [ -0.0016434400000000, 0.0016330700000000, -0.0033912000000000 ]- atom: 67 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0041378900000000, 0.0000000000000000, 0.0367132400000000 ] - [ -0.0002534600000000, 0.0000000000000000, 0.0033626000000000 ] - [ 0.0002416700000000, 0.0000000000000000, -0.0011906800000000 ] - [ 0.0003606400000000, 0.0000000000000000, -0.0035465900000000 ] - [ 0.0000019300000000, 0.0000000000000000, -0.0009909200000000 ] - [ -0.0000444900000000, 0.0000000000000000, -0.0012170800000000 ] - [ 0.0000208800000000, 0.0000000000000000, -0.0009895300000000 ] - [ -0.0000438800000000, 0.0000000000000000, -0.0011149700000000 ] - [ -0.0002526400000000, 0.0000000000000000, -0.0000303200000000 ] - [ -0.0002646800000000, 0.0000000000000000, -0.0010234700000000 ] - [ -0.0005111700000000, 0.0000000000000000, 0.0019449900000000 ] - [ 0.0037974900000000, 0.0000000000000000, 0.0161366400000000 ] - [ -0.0009010300000000, 0.0000000000000000, -0.0008295100000000 ] - [ -0.0003656700000000, 0.0000000000000000, 0.0001906300000000 ] - [ -0.0000496700000000, 0.0000000000000000, -0.0009478900000000 ] - [ 0.0000404600000000, 0.0000000000000000, -0.0010478900000000 ] - [ 0.0000491300000000, 0.0000000000000000, -0.0008844800000000 ] - [ -0.0000281200000000, 0.0000000000000000, -0.0011422000000000 ] - [ 0.0017712000000000, 0.0000000000000000, -0.0018634000000000 ] - [ 0.0004244800000000, 0.0000000000000000, -0.0011160300000000 ] - [ 0.0024709500000000, 0.0000000000000000, 0.0050992000000000 ] - [ -0.0029992800000000, 0.0000000000000000, 0.0058808100000000 ] - [ -0.0079286100000000, -0.0180655500000000, 0.0300623500000000 ] - [ 0.0014696600000000, 0.0000000000000000, -0.0002794300000000 ] - [ -0.0079286100000000, 0.0180655500000000, 0.0300623500000000 ] - [ 0.0001695100000000, 0.0004064000000000, -0.0009971100000000 ] - [ 0.0000464300000000, 0.0000000000000000, -0.0015775400000000 ] - [ 0.0000620600000000, 0.0000000000000000, -0.0016528100000000 ] - [ 0.0001235900000000, -0.0005847200000000, -0.0022377900000000 ] - [ 0.0001194600000000, 0.0000000000000000, -0.0016075700000000 ] - [ -0.0050921000000000, 0.0000000000000000, -0.0004995800000000 ] - [ -0.0000348800000000, 0.0000484600000000, -0.0015356500000000 ] - [ 0.0000209200000000, -0.0000324800000000, -0.0014831600000000 ] - [ 0.0002841100000000, 0.0000000000000000, -0.0015724800000000 ] - [ -0.0000308500000000, 0.0000218500000000, -0.0014710600000000 ] - [ -0.0002266300000000, 0.0000000000000000, -0.0010904600000000 ] - [ -0.0000308500000000, -0.0000218500000000, -0.0014710600000000 ] - [ 0.0016737500000000, -0.0015006800000000, -0.0011260500000000 ] - [ -0.0030343800000000, 0.0002752200000000, -0.0017951700000000 ] - [ 0.0001516600000000, 0.0000000000000000, -0.0014721900000000 ] - [ -0.0048707600000000, 0.0000000000000000, 0.0038125400000000 ] - [ 0.0031002600000000, 0.0000000000000000, 0.0044674700000000 ] - [ -0.0003192900000000, 0.0002870500000000, 0.0043284500000000 ] - [ -0.0015940200000000, 0.0000000000000000, 0.0001545700000000 ] - [ -0.0003192900000000, -0.0002870500000000, 0.0043284500000000 ] - [ 0.0001235900000000, 0.0005847200000000, -0.0022377900000000 ] - [ 0.0000423400000000, 0.0000000000000000, -0.0015512300000000 ] - [ -0.0000493800000000, 0.0000000000000000, -0.0013677200000000 ] - [ 0.0001695100000000, -0.0004064000000000, -0.0009971100000000 ] - [ 0.0000853200000000, 0.0000000000000000, -0.0016743000000000 ] - [ 0.0047209900000000, 0.0000000000000000, 0.0004746800000000 ] - [ 0.0000209200000000, 0.0000324800000000, -0.0014831600000000 ] - [ -0.0000348800000000, -0.0000484600000000, -0.0015356500000000 ] - [ -0.0003181100000000, 0.0000000000000000, -0.0014872300000000 ] - [ 0.0001944600000000, 0.0000375200000000, -0.0015644000000000 ] - [ 0.0002564200000000, 0.0000000000000000, -0.0022386600000000 ] - [ 0.0001944600000000, -0.0000375200000000, -0.0015644000000000 ] - [ -0.0030343800000000, -0.0002752200000000, -0.0017951700000000 ] - [ 0.0016737500000000, 0.0015006800000000, -0.0011260500000000 ] - [ 0.0000128100000000, 0.0000000000000000, -0.0020958200000000 ] - [ 0.0007945600000000, 0.0015356000000000, -0.0056504400000000 ] - [ -0.0015480200000000, 0.0000000000000000, -0.0023853100000000 ] - [ -0.0004542100000000, -0.0002858900000000, -0.0045942700000000 ] - [ 0.0002187400000000, 0.0000000000000000, -0.0082484100000000 ] - [ 0.0026525100000000, 0.0000000000000000, -0.0021919000000000 ] - [ -0.0005245600000000, 0.0002226100000000, 0.0013753400000000 ] - [ 0.0072429400000000, 0.0000000000000000, -0.1330111300000000 ] - [ 0.0054202700000000, 0.0086864500000000, 0.0085828100000000 ] - [ -0.0002792500000000, 0.0000000000000000, 0.0015137800000000 ] - [ -0.0005245600000000, -0.0002226100000000, 0.0013753400000000 ] - [ -0.0004890300000000, 0.0000000000000000, 0.0002020100000000 ] - [ 0.0054202700000000, -0.0086864500000000, 0.0085828100000000 ] - [ -0.0003767000000000, 0.0000000000000000, 0.0011801300000000 ] - [ 0.0001165600000000, -0.0001583800000000, 0.0009000700000000 ] - [ 0.0006878000000000, 0.0000000000000000, 0.0031310200000000 ] - [ 0.0004112000000000, 0.0003293600000000, 0.0011207800000000 ] - [ 0.0000010200000000, 0.0000000000000000, 0.0012942300000000 ] - [ 0.0000879100000000, 0.0001378800000000, 0.0007848400000000 ] - [ -0.0002377100000000, 0.0000000000000000, 0.0009744400000000 ] - [ -0.0000676200000000, -0.0002198900000000, 0.0008554100000000 ] - [ -0.0002597100000000, 0.0000000000000000, 0.0009933500000000 ] - [ 0.0000811100000000, -0.0000713900000000, 0.0008468100000000 ] - [ -0.0001816400000000, 0.0000000000000000, 0.0012331900000000 ] - [ 0.0001547600000000, 0.0001073800000000, 0.0010230200000000 ] - [ 0.0001334700000000, 0.0000000000000000, 0.0010681500000000 ] - [ 0.0000966100000000, 0.0000830600000000, 0.0009131900000000 ] - [ -0.0001187200000000, 0.0000000000000000, 0.0009933900000000 ] - [ 0.0001547600000000, -0.0001073800000000, 0.0010230200000000 ] - [ -0.0000941700000000, 0.0000000000000000, 0.0008735100000000 ] - [ 0.0004276300000000, -0.0000369200000000, 0.0004914400000000 ] - [ -0.0000024600000000, 0.0000000000000000, 0.0013538600000000 ] - [ 0.0001233000000000, 0.0001581000000000, 0.0008371100000000 ] - [ 0.0014363500000000, 0.0000000000000000, -0.0010204000000000 ] - [ 0.0004276300000000, 0.0000369200000000, 0.0004914400000000 ] - [ 0.0004686000000000, 0.0000000000000000, 0.0013203900000000 ] - [ 0.0003910300000000, -0.0002289200000000, 0.0010148300000000 ] - [ -0.0068906500000000, 0.0000000000000000, 0.0045851000000000 ] - [ -0.0006721000000000, 0.0000000000000000, 0.0012503000000000 ] - [ -0.0006574000000000, -0.0003270400000000, -0.0011929400000000 ] - [ -0.0006574000000000, 0.0003270400000000, -0.0011929400000000 ] - [ -0.0004542100000000, 0.0002858900000000, -0.0045942700000000 ] - [ 0.0017200000000000, 0.0000000000000000, -0.0018212900000000 ] - [ 0.0007945600000000, -0.0015356000000000, -0.0056504400000000 ] - [ 0.0007295900000000, 0.0000000000000000, -0.0024838300000000 ] - [ -0.0107645800000000, 0.0000000000000000, 0.0069496100000000 ] - [ 0.0002542500000000, -0.0000381900000000, 0.0001582700000000 ] - [ 0.0005561900000000, 0.0000000000000000, -0.0027714500000000 ] - [ -0.0007844000000000, -0.0005830600000000, -0.0016240600000000 ] - [ -0.0001407900000000, 0.0000000000000000, 0.0010315200000000 ] - [ 0.0002542500000000, 0.0000381900000000, 0.0001582700000000 ] - [ 0.0006042900000000, 0.0000000000000000, 0.0013919700000000 ] - [ -0.0007844000000000, 0.0005830600000000, -0.0016240600000000 ] - [ -0.0001765100000000, 0.0000000000000000, 0.0007571400000000 ] - [ 0.0000879100000000, -0.0001378800000000, 0.0007848400000000 ] - [ -0.0009265100000000, 0.0000000000000000, 0.0012578000000000 ] - [ -0.0000676200000000, 0.0002198900000000, 0.0008554100000000 ] - [ 0.0000157600000000, 0.0000000000000000, 0.0013471500000000 ] - [ 0.0001165600000000, 0.0001583800000000, 0.0009000700000000 ] - [ -0.0001128600000000, 0.0000000000000000, 0.0009716200000000 ] - [ 0.0004112000000000, -0.0003293600000000, 0.0011207800000000 ] - [ -0.0002667000000000, 0.0000000000000000, 0.0009544400000000 ] - [ 0.0000966100000000, -0.0000830600000000, 0.0009131900000000 ] - [ -0.0000945800000000, 0.0000000000000000, 0.0012758900000000 ] - [ 0.0001674000000000, 0.0001083200000000, 0.0010240100000000 ] - [ 0.0000297400000000, 0.0000000000000000, 0.0013804800000000 ] - [ 0.0000811100000000, 0.0000713900000000, 0.0008468100000000 ] - [ -0.0001869100000000, 0.0000000000000000, 0.0009931800000000 ] - [ 0.0001674000000000, -0.0001083200000000, 0.0010240100000000 ] - [ -0.0002516700000000, 0.0000000000000000, 0.0011042600000000 ] - [ -0.0003201400000000, 0.0001433000000000, 0.0011323200000000 ] - [ -0.0000613000000000, 0.0000000000000000, 0.0013236800000000 ] - [ 0.0003910300000000, 0.0002289200000000, 0.0010148300000000 ] - [ -0.0011470000000000, 0.0000000000000000, -0.0011734600000000 ] - [ -0.0003201400000000, -0.0001433000000000, 0.0011323200000000 ] - [ -0.0001824100000000, 0.0000000000000000, 0.0003461300000000 ] - [ 0.0001233000000000, -0.0001581000000000, 0.0008371100000000 ] - [ 0.0020748100000000, 0.0000000000000000, -0.0009436900000000 ] - [ 0.0006011700000000, 0.0000000000000000, 0.0025842800000000 ] - [ 0.0036904600000000, 0.0050364600000000, 0.0049607800000000 ] - [ 0.0036904600000000, -0.0050364600000000, 0.0049607800000000 ]- atom: 67 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0039998900000000, 0.0000000000000000, -0.0338858500000000 ] - [ 0.0001146000000000, 0.0000000000000000, -0.0034160100000000 ] - [ -0.0003610700000000, 0.0000000000000000, 0.0011706800000000 ] - [ -0.0005679800000000, 0.0000000000000000, 0.0036393400000000 ] - [ -0.0000164300000000, 0.0000000000000000, 0.0009587400000000 ] - [ 0.0001149000000000, 0.0000000000000000, 0.0012094200000000 ] - [ 0.0000246200000000, 0.0000000000000000, 0.0010267500000000 ] - [ 0.0000472300000000, 0.0000000000000000, 0.0010533500000000 ] - [ 0.0002082500000000, 0.0000000000000000, -0.0000395400000000 ] - [ 0.0005067600000000, 0.0000000000000000, 0.0009806000000000 ] - [ 0.0005764400000000, 0.0000000000000000, -0.0020839400000000 ] - [ -0.0046542500000000, 0.0000000000000000, -0.0165903100000000 ] - [ 0.0007853300000000, 0.0000000000000000, 0.0008105800000000 ] - [ 0.0001711000000000, 0.0000000000000000, -0.0001084700000000 ] - [ 0.0000363400000000, 0.0000000000000000, 0.0009163000000000 ] - [ 0.0000304800000000, 0.0000000000000000, 0.0010390700000000 ] - [ -0.0000039100000000, 0.0000000000000000, 0.0009223200000000 ] - [ 0.0000320100000000, 0.0000000000000000, 0.0010803000000000 ] - [ -0.0018087500000000, 0.0000000000000000, 0.0017848700000000 ] - [ -0.0001779200000000, 0.0000000000000000, 0.0010720000000000 ] - [ -0.0023551800000000, 0.0000000000000000, -0.0050863800000000 ] - [ 0.0031383100000000, 0.0000000000000000, -0.0058065900000000 ] - [ 0.0083628000000000, 0.0184092000000000, -0.0303280800000000 ] - [ -0.0017845100000000, 0.0000000000000000, 0.0003892100000000 ] - [ 0.0083628000000000, -0.0184092000000000, -0.0303280800000000 ] - [ -0.0002366000000000, -0.0002260000000000, 0.0009738000000000 ] - [ -0.0000515300000000, 0.0000000000000000, 0.0016143500000000 ] - [ -0.0001501200000000, 0.0000000000000000, 0.0017081700000000 ] - [ -0.0001959200000000, 0.0004066700000000, 0.0022191200000000 ] - [ -0.0000109200000000, 0.0000000000000000, 0.0014842700000000 ] - [ 0.0047567400000000, 0.0000000000000000, 0.0004978500000000 ] - [ 0.0000803200000000, -0.0001309200000000, 0.0015108700000000 ] - [ 0.0000247100000000, 0.0001150400000000, 0.0014570000000000 ] - [ -0.0004146100000000, 0.0000000000000000, 0.0016292600000000 ] - [ 0.0003016300000000, -0.0000515300000000, 0.0014337500000000 ] - [ 0.0001533300000000, 0.0000000000000000, 0.0010805700000000 ] - [ 0.0003016300000000, 0.0000515300000000, 0.0014337500000000 ] - [ -0.0016164800000000, 0.0015148300000000, 0.0010425700000000 ] - [ 0.0030639700000000, -0.0002975100000000, 0.0017106400000000 ] - [ -0.0000627900000000, 0.0000000000000000, 0.0014401900000000 ] - [ 0.0049935800000000, 0.0000000000000000, -0.0037986000000000 ] - [ -0.0029304400000000, 0.0000000000000000, -0.0044330800000000 ] - [ 0.0003501000000000, -0.0005907700000000, -0.0043694500000000 ] - [ 0.0012879700000000, 0.0000000000000000, -0.0000354400000000 ] - [ 0.0003501000000000, 0.0005907700000000, -0.0043694500000000 ] - [ -0.0001959200000000, -0.0004066700000000, 0.0022191200000000 ] - [ -0.0000463600000000, 0.0000000000000000, 0.0015884200000000 ] - [ -0.0000348300000000, 0.0000000000000000, 0.0014224100000000 ] - [ -0.0002366000000000, 0.0002260000000000, 0.0009738000000000 ] - [ 0.0000235100000000, 0.0000000000000000, 0.0015497800000000 ] - [ -0.0050646300000000, 0.0000000000000000, -0.0004781100000000 ] - [ 0.0000247100000000, -0.0001150400000000, 0.0014570000000000 ] - [ 0.0000803200000000, 0.0001309200000000, 0.0015108700000000 ] - [ 0.0001899300000000, 0.0000000000000000, 0.0015447200000000 ] - [ 0.0000779500000000, -0.0000671400000000, 0.0015256800000000 ] - [ -0.0003287200000000, 0.0000000000000000, 0.0022219900000000 ] - [ 0.0000779500000000, 0.0000671400000000, 0.0015256800000000 ] - [ 0.0030639700000000, 0.0002975100000000, 0.0017106400000000 ] - [ -0.0016164800000000, -0.0015148300000000, 0.0010425700000000 ] - [ 0.0000734300000000, 0.0000000000000000, 0.0020616200000000 ] - [ -0.0008919500000000, -0.0012875300000000, 0.0056104100000000 ] - [ 0.0013339400000000, 0.0000000000000000, 0.0026954700000000 ] - [ 0.0004429500000000, 0.0000071500000000, 0.0045823800000000 ] - [ -0.0002706200000000, 0.0000000000000000, 0.0081925400000000 ] - [ -0.0028146000000000, 0.0000000000000000, 0.0021272100000000 ] - [ 0.0004019100000000, -0.0002405500000000, -0.0012832100000000 ] - [ -0.0072247400000000, 0.0000000000000000, 0.1307960300000000 ] - [ -0.0055858400000000, -0.0087995700000000, -0.0087030300000000 ] - [ -0.0000214800000000, 0.0000000000000000, -0.0013495700000000 ] - [ 0.0004019100000000, 0.0002405500000000, -0.0012832100000000 ] - [ 0.0003984300000000, 0.0000000000000000, -0.0001775400000000 ] - [ -0.0055858400000000, 0.0087995700000000, -0.0087030300000000 ] - [ 0.0003181800000000, 0.0000000000000000, -0.0012414600000000 ] - [ -0.0001384600000000, 0.0000429900000000, -0.0010366900000000 ] - [ -0.0007333800000000, 0.0000000000000000, -0.0032420800000000 ] - [ -0.0003943500000000, -0.0001048500000000, -0.0010868500000000 ] - [ 0.0001285600000000, 0.0000000000000000, -0.0012599200000000 ] - [ -0.0001091900000000, -0.0000217500000000, -0.0009220400000000 ] - [ 0.0002083800000000, 0.0000000000000000, -0.0009206800000000 ] - [ 0.0000862900000000, -0.0000040700000000, -0.0008187500000000 ] - [ 0.0000854800000000, 0.0000000000000000, -0.0009558900000000 ] - [ -0.0001377400000000, 0.0001061300000000, -0.0009170100000000 ] - [ 0.0000224300000000, 0.0000000000000000, -0.0013942000000000 ] - [ -0.0000786000000000, -0.0000966900000000, -0.0008161500000000 ] - [ 0.0001304600000000, 0.0000000000000000, -0.0011262600000000 ] - [ -0.0001523600000000, -0.0001180400000000, -0.0009833400000000 ] - [ 0.0001477200000000, 0.0000000000000000, -0.0009109300000000 ] - [ -0.0000786000000000, 0.0000966900000000, -0.0008161500000000 ] - [ 0.0001693900000000, 0.0000000000000000, -0.0008540900000000 ] - [ -0.0003876100000000, 0.0000795700000000, -0.0004953100000000 ] - [ 0.0000509300000000, 0.0000000000000000, -0.0013227600000000 ] - [ 0.0001029100000000, -0.0000310800000000, -0.0008779000000000 ] - [ -0.0014579200000000, 0.0000000000000000, 0.0012572700000000 ] - [ -0.0003876100000000, -0.0000795700000000, -0.0004953100000000 ] - [ -0.0001404700000000, 0.0000000000000000, -0.0013956400000000 ] - [ -0.0001641100000000, 0.0000998500000000, -0.0010542100000000 ] - [ 0.0068226900000000, 0.0000000000000000, -0.0043303100000000 ] - [ 0.0006991200000000, 0.0000000000000000, -0.0012738800000000 ] - [ 0.0007465700000000, 0.0003787000000000, 0.0012456400000000 ] - [ 0.0007465700000000, -0.0003787000000000, 0.0012456400000000 ] - [ 0.0004429500000000, -0.0000071500000000, 0.0045823800000000 ] - [ -0.0019265600000000, 0.0000000000000000, 0.0021099500000000 ] - [ -0.0008919500000000, 0.0012875300000000, 0.0056104100000000 ] - [ -0.0007992100000000, 0.0000000000000000, 0.0024678400000000 ] - [ 0.0107241600000000, 0.0000000000000000, -0.0070799400000000 ] - [ -0.0003826100000000, 0.0000208500000000, -0.0000682800000000 ] - [ -0.0004093800000000, 0.0000000000000000, 0.0025382300000000 ] - [ 0.0006748300000000, 0.0005814900000000, 0.0016057300000000 ] - [ -0.0001602500000000, 0.0000000000000000, -0.0008674500000000 ] - [ -0.0003826100000000, -0.0000208500000000, -0.0000682800000000 ] - [ -0.0006932500000000, 0.0000000000000000, -0.0013703600000000 ] - [ 0.0006748300000000, -0.0005814900000000, 0.0016057300000000 ] - [ 0.0001148800000000, 0.0000000000000000, -0.0008167700000000 ] - [ -0.0001091900000000, 0.0000217500000000, -0.0009220400000000 ] - [ 0.0008846400000000, 0.0000000000000000, -0.0013532100000000 ] - [ 0.0000862900000000, 0.0000040700000000, -0.0008187500000000 ] - [ 0.0001138000000000, 0.0000000000000000, -0.0013125600000000 ] - [ -0.0001384600000000, -0.0000429900000000, -0.0010366900000000 ] - [ 0.0000831500000000, 0.0000000000000000, -0.0009175200000000 ] - [ -0.0003943500000000, 0.0001048500000000, -0.0010868500000000 ] - [ 0.0000921600000000, 0.0000000000000000, -0.0009165300000000 ] - [ -0.0001523600000000, 0.0001180400000000, -0.0009833400000000 ] - [ -0.0000643200000000, 0.0000000000000000, -0.0014377700000000 ] - [ -0.0000911200000000, -0.0000994300000000, -0.0008166500000000 ] - [ 0.0002341200000000, 0.0000000000000000, -0.0014363800000000 ] - [ -0.0001377400000000, -0.0001061300000000, -0.0009170100000000 ] - [ 0.0002151300000000, 0.0000000000000000, -0.0009110500000000 ] - [ -0.0000911200000000, 0.0000994300000000, -0.0008166500000000 ] - [ 0.0003269300000000, 0.0000000000000000, -0.0010838400000000 ] - [ 0.0003574700000000, -0.0000991900000000, -0.0011311200000000 ] - [ 0.0001108900000000, 0.0000000000000000, -0.0012920700000000 ] - [ -0.0001641100000000, -0.0000998500000000, -0.0010542100000000 ] - [ 0.0011114200000000, 0.0000000000000000, 0.0014122800000000 ] - [ 0.0003574700000000, 0.0000991900000000, -0.0011311200000000 ] - [ 0.0005060700000000, 0.0000000000000000, -0.0004270400000000 ] - [ 0.0001029100000000, 0.0000310800000000, -0.0008779000000000 ] - [ -0.0020807800000000, 0.0000000000000000, 0.0011525900000000 ] - [ -0.0005667700000000, 0.0000000000000000, -0.0026024800000000 ] - [ -0.0035661100000000, -0.0049335900000000, -0.0048615400000000 ] - [ -0.0035661100000000, 0.0049335900000000, -0.0048615400000000 ]- atom: 68 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0007882200000000, 0.0004186600000000, -0.0021603900000000 ] - [ -0.0039497600000000, -0.0002010100000000, -0.0009850700000000 ] - [ -0.0005475600000000, -0.0007181100000000, 0.0012319500000000 ] - [ 0.0121813000000000, 0.0029051800000000, -0.0025617800000000 ] - [ 0.0000562800000000, -0.0000005500000000, -0.0000930600000000 ] - [ 0.0003915400000000, 0.0000533800000000, -0.0003825100000000 ] - [ 0.0000471400000000, 0.0000001200000000, -0.0001028700000000 ] - [ -0.0000118200000000, -0.0000000400000000, -0.0001233900000000 ] - [ -0.0005303100000000, 0.0000982100000000, 0.0001360700000000 ] - [ 0.0000276600000000, 0.0000066400000000, -0.0001806300000000 ] - [ -0.0007976200000000, -0.0001507800000000, 0.0005584500000000 ] - [ 0.0121925500000000, -0.0018559200000000, -0.0015882400000000 ] - [ -0.0008794300000000, 0.0000770500000000, -0.0009655800000000 ] - [ -0.0032497300000000, 0.0000941700000000, -0.0011391400000000 ] - [ -0.0001001900000000, -0.0000033300000000, -0.0001219700000000 ] - [ -0.0002286300000000, -0.0000498100000000, 0.0000900900000000 ] - [ -0.0000037300000000, 0.0000006000000000, -0.0000510700000000 ] - [ 0.0000103800000000, 0.0000005100000000, -0.0001599000000000 ] - [ 0.0005457800000000, -0.0000388500000000, -0.0004542600000000 ] - [ 0.0001964300000000, 0.0000034700000000, -0.0000779200000000 ] - [ 0.0048310000000000, -0.0020458200000000, 0.0019818800000000 ] - [ -0.0009111700000000, -0.0000595600000000, -0.0020020800000000 ] - [ 0.0035244200000000, -0.0012618800000000, -0.0015877800000000 ] - [ -0.0021358400000000, 0.0020712100000000, 0.0057447000000000 ] - [ 0.0424034200000000, -0.0032276100000000, 0.0243303700000000 ] - [ -0.0016149200000000, 0.0001038400000000, 0.0002084700000000 ] - [ 0.0000477000000000, 0.0000002200000000, -0.0001332800000000 ] - [ 0.0001624500000000, 0.0000141600000000, 0.0000478600000000 ] - [ 0.0031155300000000, -0.0005490600000000, -0.0010320000000000 ] - [ 0.0000382700000000, 0.0000002300000000, -0.0001920300000000 ] - [ 0.0226692700000000, 0.0276395100000000, 0.0097141600000000 ] - [ 0.0001113000000000, -0.0000061100000000, -0.0002723500000000 ] - [ -0.0000441100000000, 0.0000417600000000, -0.0000705800000000 ] - [ 0.0001429400000000, 0.0001492400000000, 0.0005308300000000 ] - [ 0.0000890700000000, -0.0000042700000000, -0.0001701500000000 ] - [ -0.0002928500000000, -0.0000246100000000, -0.0000511000000000 ] - [ 0.0000896800000000, 0.0000042100000000, -0.0001697900000000 ] - [ 0.0002699900000000, 0.0000537000000000, 0.0002574600000000 ] - [ -0.0004478100000000, 0.0000171600000000, -0.0007040900000000 ] - [ 0.0000170100000000, -0.0000023200000000, -0.0000106400000000 ] - [ -0.0029702200000000, 0.0000341300000000, -0.0007438500000000 ] - [ -0.0005202900000000, 0.0013286200000000, 0.0020477000000000 ] - [ -0.0064527300000000, 0.0003753200000000, 0.0030602800000000 ] - [ -0.0030187300000000, 0.0012749000000000, -0.0043501800000000 ] - [ -0.0034132800000000, -0.0004733900000000, 0.0036546800000000 ] - [ 0.0038942300000000, 0.0004938700000000, -0.0005900300000000 ] - [ -0.0000457400000000, -0.0000006400000000, -0.0001414400000000 ] - [ -0.0002753200000000, 0.0000230900000000, -0.0001891600000000 ] - [ -0.0018183600000000, -0.0000936700000000, 0.0001234300000000 ] - [ 0.0000794400000000, -0.0000001200000000, -0.0002417700000000 ] - [ -0.0074735600000000, 0.0005895000000000, 0.0017470200000000 ] - [ -0.0000368400000000, -0.0000415500000000, -0.0000594600000000 ] - [ 0.0001114200000000, 0.0000065900000000, -0.0002631400000000 ] - [ -0.0004999300000000, -0.0001504300000000, -0.0005948800000000 ] - [ 0.0001730900000000, -0.0000100400000000, -0.0001657900000000 ] - [ 0.0002590100000000, -0.0000030400000000, -0.0002715300000000 ] - [ 0.0001746800000000, 0.0000099000000000, -0.0001655300000000 ] - [ -0.0003800200000000, -0.0000150800000000, -0.0006565300000000 ] - [ 0.0004335800000000, -0.0000499700000000, 0.0004287700000000 ] - [ 0.0000818400000000, 0.0000016000000000, -0.0003478700000000 ] - [ 0.0018388300000000, 0.0000684300000000, 0.0017071400000000 ] - [ 0.0070447800000000, -0.0069985900000000, -0.0011907500000000 ] - [ -0.0015588600000000, -0.0005555300000000, -0.0017685700000000 ] - [ -0.0029040200000000, -0.0029415000000000, 0.0040597300000000 ] - [ 0.0090419200000000, 0.0041629300000000, -0.0017440200000000 ] - [ 0.0003809100000000, 0.0001173100000000, -0.0067064100000000 ] - [ -0.0026821300000000, 0.0047527900000000, 0.0058566000000000 ] - [ -0.1118877400000000, -0.0326356100000000, -0.0321790700000000 ] - [ -0.0010203100000000, 0.0003265200000000, -0.0002748100000000 ] - [ -0.0018425600000000, -0.0000120500000000, -0.0018164300000000 ] - [ 0.0019044000000000, -0.0000483600000000, -0.0008969200000000 ] - [ -0.0067608300000000, 0.0027024400000000, -0.0013861700000000 ] - [ -0.0010233100000000, -0.0002619100000000, -0.0000397000000000 ] - [ -0.0001633700000000, -0.0000344600000000, 0.0000138300000000 ] - [ -0.0014682100000000, 0.0019126000000000, 0.0048655500000000 ] - [ 0.0003193900000000, 0.0003601100000000, 0.0010655500000000 ] - [ 0.0000866900000000, 0.0000015000000000, 0.0001167000000000 ] - [ 0.0001185800000000, 0.0000851700000000, 0.0000021300000000 ] - [ -0.0000480800000000, 0.0000062200000000, -0.0000102100000000 ] - [ 0.0001303800000000, -0.0000656600000000, -0.0003090600000000 ] - [ -0.0001466700000000, -0.0000013200000000, 0.0001418400000000 ] - [ -0.0000050000000000, 0.0000059400000000, 0.0000434900000000 ] - [ -0.0001229400000000, -0.0000057600000000, -0.0001225800000000 ] - [ 0.0000224700000000, 0.0000061100000000, 0.0001639400000000 ] - [ 0.0001653700000000, 0.0000006400000000, 0.0000837100000000 ] - [ -0.0000265800000000, -0.0000062900000000, 0.0000682700000000 ] - [ -0.0000042000000000, -0.0000000300000000, 0.0001410600000000 ] - [ 0.0000232200000000, -0.0000063200000000, 0.0001634600000000 ] - [ 0.0000864200000000, -0.0000007200000000, 0.0000790800000000 ] - [ 0.0002905800000000, -0.0000048000000000, 0.0001022100000000 ] - [ 0.0000223200000000, 0.0000000600000000, 0.0001534500000000 ] - [ 0.0000949700000000, 0.0000574000000000, 0.0000156700000000 ] - [ 0.0005766100000000, -0.0000273300000000, 0.0005471600000000 ] - [ 0.0002534900000000, 0.0000013400000000, 0.0001380900000000 ] - [ 0.0001443400000000, -0.0000238600000000, 0.0002940900000000 ] - [ 0.0001548700000000, -0.0000854200000000, 0.0001275100000000 ] - [ -0.0010685600000000, -0.0002302200000000, -0.0002041400000000 ] - [ -0.0000034500000000, -0.0000285800000000, -0.0001628300000000 ] - [ 0.0004400600000000, 0.0000898600000000, -0.0009663500000000 ] - [ 0.0002116600000000, -0.0000495100000000, -0.0004322300000000 ] - [ 0.0023992000000000, -0.0001930100000000, -0.0073235600000000 ] - [ 0.0082840700000000, -0.0050170200000000, -0.0008568800000000 ] - [ 0.0019664300000000, -0.0001481400000000, 0.0014679300000000 ] - [ 0.0023313900000000, -0.0001403600000000, -0.0010861100000000 ] - [ 0.0131510400000000, 0.0092839100000000, -0.0015944300000000 ] - [ 0.0013392700000000, -0.0002436500000000, 0.0011580500000000 ] - [ 0.0019613800000000, 0.0001623200000000, -0.0011262200000000 ] - [ 0.0052504300000000, 0.0009401800000000, 0.0006186300000000 ] - [ 0.0003681900000000, -0.0000094000000000, 0.0003499600000000 ] - [ 0.0014112700000000, 0.0001571900000000, 0.0011736100000000 ] - [ -0.0020424100000000, -0.0018015600000000, 0.0038329800000000 ] - [ 0.0036570500000000, -0.0006328100000000, 0.0003256700000000 ] - [ 0.0006048200000000, 0.0000196300000000, 0.0000343700000000 ] - [ 0.0001291100000000, -0.0000848800000000, -0.0000217700000000 ] - [ 0.0014270400000000, 0.0000396600000000, -0.0012516600000000 ] - [ 0.0003499600000000, 0.0000679900000000, -0.0005734500000000 ] - [ 0.0000267900000000, 0.0000021200000000, 0.0001612400000000 ] - [ -0.0001347400000000, 0.0000398300000000, 0.0000176700000000 ] - [ -0.0000002000000000, -0.0000185500000000, 0.0002740600000000 ] - [ 0.0000906000000000, -0.0002487900000000, 0.0007078500000000 ] - [ -0.0000653500000000, -0.0000013500000000, 0.0000836300000000 ] - [ -0.0000269000000000, 0.0000062900000000, 0.0000685400000000 ] - [ -0.0000429200000000, 0.0000200400000000, 0.0003035400000000 ] - [ 0.0000833600000000, 0.0000239300000000, 0.0002322000000000 ] - [ 0.0000842600000000, 0.0000015100000000, 0.0001134200000000 ] - [ -0.0000050600000000, -0.0000059500000000, 0.0000430400000000 ] - [ -0.0000034800000000, 0.0000000000000000, 0.0001314600000000 ] - [ 0.0000797900000000, -0.0000230600000000, 0.0002292500000000 ] - [ -0.0000455600000000, -0.0000018000000000, 0.0001291200000000 ] - [ -0.0002248400000000, 0.0000239900000000, 0.0000296400000000 ] - [ 0.0000165700000000, -0.0000000600000000, 0.0001444600000000 ] - [ 0.0001587600000000, 0.0000860800000000, 0.0001278400000000 ] - [ -0.0008029900000000, 0.0001672400000000, -0.0002044900000000 ] - [ -0.0001959800000000, -0.0000206000000000, 0.0000467700000000 ] - [ 0.0001456900000000, 0.0000265100000000, -0.0001518500000000 ] - [ 0.0000962900000000, -0.0000583600000000, 0.0000176500000000 ] - [ 0.0007042700000000, 0.0000346100000000, 0.0005128000000000 ] - [ 0.0000322100000000, 0.0000278300000000, 0.0004563100000000 ] - [ 0.0002541900000000, 0.0001191400000000, 0.0011830800000000 ] - [ 0.0000654200000000, -0.0000873500000000, 0.0009062300000000 ]- atom: 68 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0007260200000000, -0.0004269500000000, 0.0020175000000000 ] - [ 0.0037964900000000, 0.0001983000000000, 0.0009407800000000 ] - [ 0.0004345800000000, 0.0007205600000000, -0.0012501000000000 ] - [ -0.0122959800000000, -0.0026858400000000, 0.0024608300000000 ] - [ -0.0000704200000000, 0.0000005100000000, 0.0000618200000000 ] - [ -0.0003202200000000, -0.0000527800000000, 0.0003731300000000 ] - [ -0.0000027700000000, -0.0000002700000000, 0.0001404100000000 ] - [ 0.0000157300000000, 0.0000002700000000, 0.0000624200000000 ] - [ 0.0004825400000000, -0.0000997700000000, -0.0002131400000000 ] - [ 0.0002171800000000, -0.0000066300000000, 0.0001373900000000 ] - [ 0.0008640200000000, 0.0001434500000000, -0.0007162500000000 ] - [ -0.0124292800000000, 0.0021170400000000, 0.0017960400000000 ] - [ 0.0007488200000000, -0.0000745000000000, 0.0009476800000000 ] - [ 0.0030530700000000, -0.0000938300000000, 0.0012358600000000 ] - [ 0.0000857200000000, 0.0000037100000000, 0.0000917900000000 ] - [ 0.0002993000000000, 0.0000503300000000, -0.0000967200000000 ] - [ 0.0000476900000000, -0.0000005700000000, 0.0000887300000000 ] - [ -0.0000071700000000, -0.0000001900000000, 0.0000988300000000 ] - [ -0.0005950900000000, 0.0000377400000000, 0.0003796500000000 ] - [ 0.0000479000000000, -0.0000034000000000, 0.0000343800000000 ] - [ -0.0047271700000000, 0.0020429700000000, -0.0020087500000000 ] - [ 0.0010850700000000, 0.0000598100000000, 0.0019969300000000 ] - [ -0.0034318000000000, 0.0009608800000000, 0.0015436500000000 ] - [ 0.0018336200000000, -0.0020703100000000, -0.0055876000000000 ] - [ -0.0403517500000000, 0.0033505600000000, -0.0225790900000000 ] - [ 0.0015443200000000, 0.0000752900000000, -0.0002224400000000 ] - [ -0.0000488800000000, -0.0000002700000000, 0.0001739700000000 ] - [ -0.0002494500000000, -0.0000144700000000, 0.0000044600000000 ] - [ -0.0031732800000000, 0.0003673700000000, 0.0010009800000000 ] - [ 0.0000673000000000, -0.0000004500000000, 0.0000679800000000 ] - [ -0.0230444600000000, -0.0284368200000000, -0.0099838200000000 ] - [ -0.0000663000000000, -0.0000762600000000, 0.0002484900000000 ] - [ 0.0000897700000000, 0.0000407200000000, 0.0000472500000000 ] - [ -0.0002663300000000, -0.0001491800000000, -0.0004707200000000 ] - [ 0.0001828400000000, -0.0000241600000000, 0.0001340400000000 ] - [ 0.0002146800000000, 0.0000244900000000, 0.0000375800000000 ] - [ 0.0001822300000000, 0.0000240000000000, 0.0001320500000000 ] - [ -0.0002217200000000, -0.0000282000000000, -0.0003422900000000 ] - [ 0.0005007100000000, -0.0000430700000000, 0.0006192800000000 ] - [ 0.0000749500000000, 0.0000028200000000, -0.0000145800000000 ] - [ 0.0031005500000000, -0.0000316200000000, 0.0007057000000000 ] - [ 0.0006775700000000, -0.0013297400000000, -0.0020588300000000 ] - [ 0.0065138700000000, -0.0006772200000000, -0.0031152100000000 ] - [ 0.0027012000000000, -0.0012949700000000, 0.0045103100000000 ] - [ 0.0034446700000000, 0.0007744100000000, -0.0036984000000000 ] - [ -0.0039574700000000, -0.0003125500000000, 0.0005486300000000 ] - [ 0.0000448600000000, 0.0000006200000000, 0.0001821300000000 ] - [ 0.0001861600000000, -0.0000232300000000, 0.0002445600000000 ] - [ 0.0017494300000000, -0.0000856200000000, -0.0001367000000000 ] - [ 0.0000262700000000, -0.0000001600000000, 0.0001171500000000 ] - [ 0.0071241800000000, -0.0005805300000000, -0.0017265600000000 ] - [ 0.0000824000000000, -0.0000410800000000, 0.0000364000000000 ] - [ -0.0000664600000000, 0.0000757000000000, 0.0002389400000000 ] - [ 0.0003672700000000, 0.0001494800000000, 0.0006537800000000 ] - [ 0.0000985900000000, -0.0000183500000000, 0.0001296700000000 ] - [ -0.0003383400000000, 0.0000029600000000, 0.0002591900000000 ] - [ 0.0000969500000000, 0.0000182700000000, 0.0001276000000000 ] - [ 0.0004324300000000, 0.0000407200000000, 0.0005728500000000 ] - [ -0.0003855100000000, 0.0000243500000000, -0.0005154600000000 ] - [ 0.0000103800000000, -0.0000016100000000, 0.0003231600000000 ] - [ -0.0018956400000000, 0.0002003400000000, -0.0017045200000000 ] - [ -0.0071725200000000, 0.0069007900000000, 0.0014594500000000 ] - [ 0.0015221400000000, 0.0002851200000000, 0.0017611500000000 ] - [ 0.0028129600000000, 0.0029300300000000, -0.0040803700000000 ] - [ -0.0092682900000000, -0.0042080500000000, 0.0016788300000000 ] - [ -0.0005262900000000, -0.0001324100000000, 0.0067710900000000 ] - [ 0.0027784900000000, -0.0047345000000000, -0.0060835900000000 ] - [ 0.1097469300000000, 0.0331203800000000, 0.0306101100000000 ] - [ 0.0007153600000000, -0.0003262400000000, 0.0004341500000000 ] - [ 0.0017046200000000, 0.0000277700000000, 0.0019016600000000 ] - [ -0.0019956700000000, 0.0000491800000000, 0.0009110800000000 ] - [ 0.0066326200000000, -0.0027504300000000, 0.0013444400000000 ] - [ 0.0009609000000000, 0.0002616000000000, -0.0000211100000000 ] - [ 0.0001438300000000, -0.0000869400000000, -0.0001476500000000 ] - [ 0.0014424500000000, -0.0019151800000000, -0.0049570400000000 ] - [ -0.0002989700000000, -0.0001360300000000, -0.0010259300000000 ] - [ 0.0000413800000000, -0.0000017600000000, -0.0000884400000000 ] - [ -0.0001377800000000, 0.0000360900000000, -0.0001400200000000 ] - [ 0.0000132000000000, -0.0000062800000000, 0.0000632400000000 ] - [ -0.0001157900000000, -0.0001555800000000, 0.0003397200000000 ] - [ -0.0000230700000000, 0.0000011800000000, -0.0001047200000000 ] - [ -0.0000491000000000, 0.0000225700000000, -0.0001118500000000 ] - [ -0.0000359800000000, 0.0000057700000000, -0.0000359200000000 ] - [ 0.0000508000000000, -0.0000025700000000, 0.0000421700000000 ] - [ 0.0000961300000000, -0.0000008000000000, -0.0001448000000000 ] - [ -0.0000272100000000, -0.0000223100000000, -0.0001385400000000 ] - [ 0.0000278300000000, 0.0000000600000000, -0.0000597700000000 ] - [ 0.0000499800000000, 0.0000026000000000, 0.0000404500000000 ] - [ -0.0000049400000000, 0.0000006400000000, -0.0000591600000000 ] - [ -0.0002524100000000, 0.0000412400000000, -0.0001004800000000 ] - [ 0.0000282700000000, -0.0000001000000000, -0.0001184000000000 ] - [ 0.0001274400000000, 0.0000602600000000, -0.0000570300000000 ] - [ -0.0006120600000000, 0.0000272300000000, -0.0002947800000000 ] - [ -0.0002152600000000, -0.0000379900000000, -0.0001373300000000 ] - [ 0.0001786600000000, 0.0000241000000000, -0.0003743100000000 ] - [ 0.0000673500000000, -0.0000329600000000, -0.0001714300000000 ] - [ 0.0010524000000000, 0.0002305400000000, 0.0004293700000000 ] - [ 0.0000403600000000, 0.0000285400000000, 0.0001431900000000 ] - [ -0.0003423900000000, -0.0000385300000000, 0.0010298200000000 ] - [ -0.0001133100000000, -0.0000028200000000, 0.0004913400000000 ] - [ -0.0024435900000000, 0.0004683900000000, 0.0073576200000000 ] - [ -0.0085655800000000, 0.0050903300000000, 0.0011545600000000 ] - [ -0.0020514500000000, -0.0001188400000000, -0.0014909900000000 ] - [ -0.0023955800000000, 0.0001388400000000, 0.0010766300000000 ] - [ -0.0131496700000000, -0.0091296900000000, 0.0014943100000000 ] - [ -0.0014596100000000, 0.0002262500000000, -0.0010760700000000 ] - [ -0.0018163900000000, -0.0001609400000000, 0.0008986800000000 ] - [ -0.0053638500000000, -0.0009370000000000, -0.0006441500000000 ] - [ -0.0006683800000000, 0.0000087900000000, -0.0001942600000000 ] - [ -0.0015350300000000, -0.0001390200000000, -0.0010950400000000 ] - [ 0.0019802500000000, 0.0017941000000000, -0.0037910000000000 ] - [ -0.0037709400000000, 0.0006327400000000, -0.0003526100000000 ] - [ -0.0006620300000000, -0.0000194400000000, -0.0000998600000000 ] - [ -0.0001481700000000, -0.0000365000000000, -0.0001140100000000 ] - [ -0.0014705800000000, -0.0000411700000000, 0.0011412400000000 ] - [ -0.0003356100000000, 0.0001530700000000, 0.0006065500000000 ] - [ 0.0001010400000000, -0.0000021600000000, -0.0001326100000000 ] - [ 0.0001153300000000, 0.0000813200000000, -0.0001536800000000 ] - [ -0.0000325200000000, 0.0000184000000000, -0.0002202900000000 ] - [ -0.0000703100000000, 0.0000253300000000, -0.0006720900000000 ] - [ -0.0001040700000000, 0.0000012600000000, -0.0000467000000000 ] - [ -0.0000269000000000, 0.0000220600000000, -0.0001367700000000 ] - [ -0.0001144500000000, -0.0000200300000000, -0.0004610800000000 ] - [ -0.0000094000000000, -0.0000210000000000, -0.0000256600000000 ] - [ 0.0001775600000000, -0.0000016100000000, -0.0001747100000000 ] - [ -0.0000491400000000, -0.0000227300000000, -0.0001132100000000 ] - [ 0.0000273400000000, -0.0000000300000000, -0.0000502700000000 ] - [ -0.0000058300000000, 0.0000200800000000, -0.0000250100000000 ] - [ 0.0001275900000000, 0.0000016500000000, -0.0001096400000000 ] - [ 0.0002642900000000, 0.0000126300000000, -0.0000283800000000 ] - [ 0.0000348100000000, 0.0000000000000000, -0.0001089800000000 ] - [ 0.0000636400000000, 0.0000322900000000, -0.0001694200000000 ] - [ 0.0007720500000000, -0.0001673300000000, 0.0004553600000000 ] - [ 0.0002352700000000, -0.0000162400000000, -0.0000465000000000 ] - [ 0.0001780000000000, -0.0000265500000000, 0.0000729700000000 ] - [ 0.0001267000000000, -0.0000595400000000, -0.0000615100000000 ] - [ -0.0007268200000000, -0.0000346300000000, -0.0002872300000000 ] - [ 0.0000036300000000, -0.0000281000000000, -0.0004779100000000 ] - [ -0.0001587400000000, -0.0000673900000000, -0.0011273100000000 ] - [ 0.0000301900000000, 0.0000350700000000, -0.0008523800000000 ]- atom: 68 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001001700000000, 0.0002367000000000, -0.0018330000000000 ] - [ 0.0004179600000000, 0.0000836300000000, 0.0006658400000000 ] - [ 0.0000441000000000, 0.0000578500000000, 0.0001540500000000 ] - [ 0.0030945600000000, 0.0088177500000000, -0.0033779900000000 ] - [ 0.0000048200000000, 0.0000017800000000, -0.0000949000000000 ] - [ 0.0000138200000000, 0.0000268000000000, -0.0002353300000000 ] - [ 0.0000241800000000, -0.0000004000000000, -0.0000521800000000 ] - [ -0.0000004900000000, -0.0000000800000000, -0.0001066300000000 ] - [ -0.0000476100000000, 0.0000067100000000, -0.0000886700000000 ] - [ 0.0001201200000000, 0.0000005100000000, -0.0000995900000000 ] - [ 0.0000338000000000, -0.0000143600000000, 0.0000649400000000 ] - [ -0.0034086000000000, 0.0110187400000000, 0.0064630400000000 ] - [ -0.0014592900000000, 0.0001491800000000, -0.0006784500000000 ] - [ -0.0012876000000000, 0.0001283500000000, -0.0006710800000000 ] - [ -0.0000500000000000, 0.0000009200000000, -0.0000791800000000 ] - [ 0.0000094500000000, 0.0000022400000000, -0.0000191000000000 ] - [ 0.0000191900000000, -0.0000001900000000, -0.0000474300000000 ] - [ -0.0000023700000000, 0.0000002300000000, -0.0001158100000000 ] - [ 0.0000502000000000, -0.0000045600000000, -0.0000794500000000 ] - [ 0.0001299600000000, 0.0000003200000000, -0.0000962900000000 ] - [ -0.0012213300000000, -0.0004480800000000, 0.0016772400000000 ] - [ 0.0010851900000000, 0.0000395900000000, 0.0005313700000000 ] - [ -0.0000549200000000, -0.0069968100000000, 0.0008186500000000 ] - [ 0.0011687700000000, -0.0005646600000000, -0.0019450100000000 ] - [ -0.0051622800000000, 0.0097221400000000, -0.0031021500000000 ] - [ -0.0002096700000000, -0.0000925700000000, 0.0001307900000000 ] - [ 0.0000201000000000, -0.0000009900000000, -0.0000925700000000 ] - [ 0.0000558500000000, -0.0000088900000000, 0.0000364900000000 ] - [ 0.0007087600000000, -0.0027599900000000, -0.0003205000000000 ] - [ 0.0000518600000000, -0.0000003800000000, -0.0001665500000000 ] - [ 0.0309077000000000, 0.0640770100000000, 0.0223706700000000 ] - [ 0.0000320400000000, -0.0000105100000000, -0.0001554600000000 ] - [ 0.0000253300000000, 0.0000155200000000, -0.0000909400000000 ] - [ 0.0001954800000000, -0.0000076300000000, 0.0000009200000000 ] - [ 0.0001322900000000, -0.0000107900000000, -0.0001256100000000 ] - [ -0.0000597900000000, -0.0000023600000000, -0.0001123800000000 ] - [ 0.0001322900000000, 0.0000103400000000, -0.0001264000000000 ] - [ 0.0000582300000000, -0.0001122100000000, -0.0001553400000000 ] - [ -0.0000174500000000, 0.0000005300000000, -0.0001825900000000 ] - [ 0.0000462600000000, -0.0000003500000000, -0.0001296200000000 ] - [ -0.0004689100000000, 0.0000230100000000, -0.0002725500000000 ] - [ 0.0002973000000000, 0.0000874600000000, -0.0000642500000000 ] - [ -0.0003818500000000, 0.0023623400000000, 0.0006874500000000 ] - [ 0.0017181600000000, -0.0005657100000000, 0.0016262400000000 ] - [ -0.0003609700000000, -0.0024754300000000, 0.0008873600000000 ] - [ 0.0004472800000000, 0.0026322500000000, -0.0003161800000000 ] - [ -0.0000105900000000, -0.0000014500000000, -0.0000900500000000 ] - [ -0.0001041600000000, 0.0000014500000000, -0.0000362400000000 ] - [ -0.0001589400000000, 0.0000934400000000, 0.0001616600000000 ] - [ 0.0000588800000000, -0.0000006400000000, -0.0001815800000000 ] - [ -0.0025309600000000, 0.0002574500000000, 0.0010707000000000 ] - [ 0.0000243000000000, -0.0000160200000000, -0.0000911400000000 ] - [ 0.0000366600000000, 0.0000094300000000, -0.0001480800000000 ] - [ -0.0001971000000000, -0.0000729600000000, 0.0001076400000000 ] - [ 0.0001341500000000, -0.0000098000000000, -0.0001281000000000 ] - [ -0.0000414000000000, -0.0000017600000000, -0.0001302300000000 ] - [ 0.0001342600000000, 0.0000085000000000, -0.0001287200000000 ] - [ -0.0000139100000000, 0.0000030300000000, -0.0001771200000000 ] - [ 0.0000700700000000, 0.0001143000000000, -0.0001459900000000 ] - [ 0.0000521000000000, -0.0000000800000000, -0.0001444000000000 ] - [ 0.0002417200000000, 0.0010593700000000, 0.0000730700000000 ] - [ -0.0044551400000000, 0.0021467000000000, -0.0002599200000000 ] - [ -0.0005323200000000, 0.0009087700000000, 0.0001221600000000 ] - [ -0.0018200400000000, 0.0019492700000000, -0.0040801000000000 ] - [ 0.0065186600000000, 0.0021149700000000, -0.0013563400000000 ] - [ -0.0002167500000000, -0.0020117600000000, -0.0002509900000000 ] - [ 0.0032866600000000, 0.0038435300000000, 0.0082754700000000 ] - [ -0.0317101100000000, -0.1335796400000000, -0.0254647400000000 ] - [ 0.0000225600000000, -0.0000418200000000, -0.0001847800000000 ] - [ -0.0000748500000000, 0.0011372000000000, -0.0004914100000000 ] - [ -0.0002071100000000, -0.0000156600000000, 0.0001676300000000 ] - [ -0.0027608600000000, 0.0295692000000000, -0.0021539500000000 ] - [ -0.0005751200000000, -0.0000349100000000, 0.0004103800000000 ] - [ -0.0000363600000000, -0.0000482700000000, 0.0000211500000000 ] - [ 0.0009696000000000, 0.0021204200000000, 0.0061372300000000 ] - [ 0.0002025700000000, 0.0008528700000000, 0.0004228000000000 ] - [ 0.0000654900000000, -0.0000004600000000, 0.0000869200000000 ] - [ 0.0000154600000000, 0.0000711000000000, -0.0000348800000000 ] - [ -0.0000212200000000, 0.0000002100000000, 0.0000352800000000 ] - [ -0.0000334100000000, -0.0000398300000000, -0.0000568800000000 ] - [ -0.0001052100000000, -0.0000001000000000, 0.0001006700000000 ] - [ -0.0000180900000000, 0.0000054600000000, 0.0000295800000000 ] - [ -0.0001285700000000, 0.0000001700000000, 0.0000224900000000 ] - [ 0.0000347700000000, 0.0000073500000000, 0.0001641800000000 ] - [ 0.0001290200000000, -0.0000003500000000, 0.0000570400000000 ] - [ -0.0000180900000000, -0.0000050400000000, 0.0000348400000000 ] - [ -0.0000047600000000, -0.0000003600000000, 0.0001087100000000 ] - [ 0.0000353800000000, -0.0000080700000000, 0.0001622400000000 ] - [ 0.0000311400000000, -0.0000004500000000, 0.0000809300000000 ] - [ 0.0000407800000000, 0.0000068500000000, 0.0000653700000000 ] - [ 0.0000205600000000, -0.0000003200000000, 0.0001166400000000 ] - [ 0.0001181000000000, 0.0000638700000000, 0.0000435400000000 ] - [ 0.0000058400000000, -0.0000014100000000, 0.0002263000000000 ] - [ 0.0000371900000000, -0.0000077700000000, 0.0000672800000000 ] - [ 0.0001387300000000, 0.0000012400000000, 0.0000227400000000 ] - [ 0.0001206000000000, -0.0000661700000000, 0.0000476900000000 ] - [ -0.0004117300000000, -0.0000400600000000, 0.0004228500000000 ] - [ -0.0000115400000000, -0.0000018800000000, 0.0001084300000000 ] - [ 0.0000331000000000, -0.0000037800000000, 0.0000105800000000 ] - [ 0.0000167500000000, 0.0000203900000000, 0.0000490000000000 ] - [ -0.0003525700000000, -0.0018410200000000, -0.0000939400000000 ] - [ -0.0050170500000000, 0.0017107100000000, 0.0003572300000000 ] - [ 0.0001395900000000, -0.0008138300000000, 0.0000324300000000 ] - [ -0.0000775900000000, -0.0000413400000000, 0.0002690400000000 ] - [ 0.0096143900000000, 0.0034432600000000, -0.0006208500000000 ] - [ 0.0001775700000000, 0.0006346600000000, 0.0000611700000000 ] - [ 0.0004355800000000, -0.0000324900000000, -0.0007542500000000 ] - [ 0.0008788800000000, 0.0014607000000000, 0.0000340600000000 ] - [ -0.0000736300000000, -0.0000140100000000, 0.0000929600000000 ] - [ 0.0000885200000000, -0.0005809900000000, 0.0000028500000000 ] - [ -0.0013864000000000, 0.0017883900000000, -0.0050610300000000 ] - [ 0.0005739800000000, -0.0010088400000000, -0.0000222300000000 ] - [ 0.0001549400000000, 0.0000166000000000, -0.0001110900000000 ] - [ 0.0000151900000000, -0.0000722800000000, -0.0000324300000000 ] - [ 0.0003033700000000, -0.0000312200000000, -0.0007921400000000 ] - [ -0.0000450900000000, 0.0000388500000000, -0.0000467200000000 ] - [ 0.0000544800000000, -0.0000007000000000, 0.0001101900000000 ] - [ -0.0000304800000000, 0.0000446700000000, 0.0000087100000000 ] - [ -0.0000040400000000, -0.0000079500000000, 0.0001044500000000 ] - [ 0.0001417500000000, -0.0006169000000000, 0.0002660000000000 ] - [ -0.0000931800000000, -0.0000003700000000, 0.0000812400000000 ] - [ -0.0000181300000000, 0.0000042600000000, 0.0000358900000000 ] - [ -0.0000418600000000, 0.0000130600000000, 0.0001184900000000 ] - [ 0.0000587000000000, 0.0000135500000000, 0.0001800400000000 ] - [ 0.0001245700000000, -0.0000002800000000, 0.0000622900000000 ] - [ -0.0000181200000000, -0.0000061900000000, 0.0000285900000000 ] - [ 0.0000007700000000, -0.0000004500000000, 0.0001083900000000 ] - [ 0.0000575600000000, -0.0000133300000000, 0.0001768500000000 ] - [ 0.0000266800000000, -0.0000006500000000, 0.0000843900000000 ] - [ 0.0000181500000000, 0.0000214000000000, 0.0000695800000000 ] - [ 0.0000241400000000, -0.0000002600000000, 0.0001184500000000 ] - [ 0.0001211300000000, 0.0000659300000000, 0.0000488400000000 ] - [ 0.0000812400000000, -0.0000039000000000, -0.0000546400000000 ] - [ 0.0000194900000000, -0.0000243100000000, 0.0000706600000000 ] - [ 0.0001664000000000, 0.0000021500000000, -0.0000062400000000 ] - [ 0.0001184100000000, -0.0000645100000000, 0.0000426200000000 ] - [ 0.0000798600000000, 0.0000084200000000, 0.0001468400000000 ] - [ 0.0000337400000000, 0.0000044100000000, 0.0001435700000000 ] - [ 0.0001669500000000, 0.0005762100000000, 0.0001951900000000 ] - [ 0.0001333200000000, -0.0004520300000000, 0.0001651000000000 ]- atom: 68 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000350000000000, -0.0002471800000000, 0.0016912800000000 ] - [ -0.0005606100000000, -0.0000817700000000, -0.0007026600000000 ] - [ -0.0001613400000000, -0.0000491300000000, -0.0001742400000000 ] - [ -0.0029092000000000, -0.0082468200000000, 0.0028836000000000 ] - [ -0.0000195300000000, -0.0000021300000000, 0.0000648200000000 ] - [ 0.0000559000000000, -0.0000266300000000, 0.0002309500000000 ] - [ 0.0000207200000000, -0.0000001200000000, 0.0000913200000000 ] - [ 0.0000037200000000, -0.0000001600000000, 0.0000474400000000 ] - [ 0.0000023400000000, -0.0000074600000000, 0.0000150300000000 ] - [ 0.0001243000000000, -0.0000007900000000, 0.0000581700000000 ] - [ 0.0000296800000000, 0.0000048200000000, -0.0002196200000000 ] - [ 0.0027939000000000, -0.0103772700000000, -0.0058602100000000 ] - [ 0.0013490500000000, -0.0001484900000000, 0.0006647000000000 ] - [ 0.0010983500000000, -0.0001271400000000, 0.0007620600000000 ] - [ 0.0000366900000000, -0.0000010300000000, 0.0000494200000000 ] - [ 0.0000618600000000, -0.0000016700000000, 0.0000124400000000 ] - [ 0.0000252900000000, -0.0000002500000000, 0.0000867300000000 ] - [ 0.0000059900000000, -0.0000003900000000, 0.0000565800000000 ] - [ -0.0000955300000000, 0.0000033600000000, 0.0000062900000000 ] - [ 0.0001147600000000, -0.0000006900000000, 0.0000547900000000 ] - [ 0.0013403700000000, 0.0004315100000000, -0.0017225300000000 ] - [ -0.0009219000000000, -0.0000389800000000, -0.0005283700000000 ] - [ 0.0000251700000000, 0.0066968900000000, -0.0008955700000000 ] - [ -0.0014940300000000, 0.0005444300000000, 0.0020674400000000 ] - [ 0.0049787700000000, -0.0093511400000000, 0.0029175700000000 ] - [ 0.0001434500000000, 0.0002716100000000, -0.0001510500000000 ] - [ -0.0000223500000000, 0.0000004600000000, 0.0001353900000000 ] - [ -0.0001456900000000, 0.0000078600000000, 0.0000183900000000 ] - [ -0.0007842800000000, 0.0025894500000000, 0.0003105200000000 ] - [ 0.0000542600000000, -0.0000002000000000, 0.0000451500000000 ] - [ -0.0332976000000000, -0.0672985200000000, -0.0238292800000000 ] - [ 0.0000129600000000, -0.0000727200000000, 0.0001348500000000 ] - [ 0.0000201600000000, 0.0000669100000000, 0.0000684400000000 ] - [ -0.0003242300000000, 0.0000053800000000, 0.0000592900000000 ] - [ 0.0001394100000000, -0.0000186200000000, 0.0000918400000000 ] - [ -0.0000175800000000, 0.0000013800000000, 0.0001017800000000 ] - [ 0.0001393100000000, 0.0000180000000000, 0.0000909500000000 ] - [ -0.0000118000000000, 0.0001344100000000, 0.0000736900000000 ] - [ 0.0000666600000000, -0.0000236500000000, 0.0001002400000000 ] - [ 0.0000445000000000, 0.0000004900000000, 0.0001044900000000 ] - [ 0.0005963800000000, -0.0000244200000000, 0.0002405500000000 ] - [ -0.0001394500000000, -0.0000751900000000, 0.0000624600000000 ] - [ 0.0004026200000000, -0.0026773500000000, -0.0007335000000000 ] - [ -0.0020254800000000, 0.0005697600000000, -0.0015035800000000 ] - [ 0.0004024300000000, 0.0027887700000000, -0.0009232600000000 ] - [ -0.0005362700000000, -0.0024629200000000, 0.0002883200000000 ] - [ 0.0000092300000000, 0.0000012600000000, 0.0001330400000000 ] - [ 0.0000177500000000, -0.0000021500000000, 0.0000922300000000 ] - [ 0.0000946100000000, -0.0002734500000000, -0.0001816500000000 ] - [ 0.0000475400000000, -0.0000000500000000, 0.0000595700000000 ] - [ 0.0022060500000000, -0.0002603700000000, -0.0010654300000000 ] - [ 0.0000210200000000, -0.0000674000000000, 0.0000687800000000 ] - [ 0.0000083900000000, 0.0000728100000000, 0.0001271700000000 ] - [ 0.0000723900000000, 0.0000717500000000, -0.0000439200000000 ] - [ 0.0001378100000000, -0.0000197700000000, 0.0000940700000000 ] - [ -0.0000357700000000, 0.0000012000000000, 0.0001203300000000 ] - [ 0.0001376300000000, 0.0000199900000000, 0.0000929000000000 ] - [ 0.0000616800000000, 0.0000189400000000, 0.0000953500000000 ] - [ -0.0000218000000000, -0.0001375200000000, 0.0000646100000000 ] - [ 0.0000385100000000, -0.0000003500000000, 0.0001194800000000 ] - [ -0.0002959000000000, -0.0007948900000000, -0.0000803200000000 ] - [ 0.0042785000000000, -0.0021087000000000, 0.0005682300000000 ] - [ 0.0004819200000000, -0.0011781100000000, -0.0001148700000000 ] - [ 0.0017848100000000, -0.0019175900000000, 0.0040806400000000 ] - [ -0.0067609100000000, -0.0021236900000000, 0.0012897000000000 ] - [ 0.0000706300000000, 0.0019969500000000, 0.0003905800000000 ] - [ -0.0031166300000000, -0.0038965400000000, -0.0084666400000000 ] - [ 0.0339802300000000, 0.1356282600000000, 0.0270265600000000 ] - [ -0.0003231300000000, 0.0000388300000000, 0.0003439600000000 ] - [ -0.0000400800000000, -0.0011176400000000, 0.0005748100000000 ] - [ 0.0001119400000000, 0.0000161700000000, -0.0001461700000000 ] - [ 0.0026847600000000, -0.0295135300000000, 0.0021548400000000 ] - [ 0.0005229000000000, 0.0000365800000000, -0.0004747800000000 ] - [ 0.0000168500000000, -0.0000735700000000, -0.0001575100000000 ] - [ -0.0010354000000000, -0.0021293400000000, -0.0063225000000000 ] - [ -0.0001875200000000, -0.0006354700000000, -0.0003934000000000 ] - [ 0.0000619500000000, -0.0000002800000000, -0.0000607000000000 ] - [ -0.0000357200000000, 0.0000500900000000, -0.0001041700000000 ] - [ -0.0000131500000000, -0.0000007600000000, 0.0000162000000000 ] - [ 0.0000506900000000, -0.0001808100000000, 0.0000889400000000 ] - [ -0.0000633500000000, -0.0000005100000000, -0.0000651200000000 ] - [ -0.0000368500000000, 0.0000228900000000, -0.0000995700000000 ] - [ -0.0000286100000000, -0.0000004800000000, -0.0001824300000000 ] - [ 0.0000391500000000, -0.0000038800000000, 0.0000406600000000 ] - [ 0.0001318600000000, -0.0000002100000000, -0.0001200000000000 ] - [ -0.0000365700000000, -0.0000242300000000, -0.0001069900000000 ] - [ 0.0000286900000000, -0.0000000100000000, -0.0000293400000000 ] - [ 0.0000384100000000, 0.0000035600000000, 0.0000404700000000 ] - [ 0.0000508100000000, -0.0000000600000000, -0.0000621000000000 ] - [ -0.0000017000000000, 0.0000282100000000, -0.0000662500000000 ] - [ 0.0000308300000000, -0.0000001800000000, -0.0000838500000000 ] - [ 0.0001053100000000, 0.0000539200000000, -0.0000863600000000 ] - [ -0.0000405100000000, 0.0000009500000000, 0.0000225400000000 ] - [ 0.0000016100000000, -0.0000284200000000, -0.0000687700000000 ] - [ 0.0001835500000000, -0.0000013600000000, -0.0001047200000000 ] - [ 0.0001024000000000, -0.0000532600000000, -0.0000925500000000 ] - [ 0.0003929700000000, 0.0000382000000000, -0.0002002200000000 ] - [ 0.0000483700000000, 0.0000011400000000, -0.0001305500000000 ] - [ 0.0000666700000000, 0.0000557300000000, 0.0000464400000000 ] - [ 0.0000803000000000, -0.0000733200000000, 0.0000104900000000 ] - [ 0.0003427100000000, 0.0021088900000000, 0.0000527000000000 ] - [ 0.0048024100000000, -0.0017268600000000, -0.0000669800000000 ] - [ -0.0001938400000000, 0.0005489500000000, -0.0000403200000000 ] - [ 0.0000160900000000, 0.0000388500000000, -0.0002818000000000 ] - [ -0.0097206200000000, -0.0034916200000000, 0.0005502000000000 ] - [ -0.0003076300000000, -0.0006576400000000, 0.0000268800000000 ] - [ -0.0002884500000000, 0.0000340700000000, 0.0005268800000000 ] - [ -0.0009981600000000, -0.0014668000000000, -0.0000578400000000 ] - [ -0.0002307300000000, 0.0000134700000000, 0.0000637300000000 ] - [ -0.0002186400000000, 0.0006025500000000, 0.0000822500000000 ] - [ 0.0012951300000000, -0.0018048600000000, 0.0050677200000000 ] - [ -0.0006917600000000, 0.0010146400000000, -0.0000028700000000 ] - [ -0.0002149100000000, -0.0000173300000000, 0.0000490600000000 ] - [ -0.0000354600000000, -0.0000499100000000, -0.0001043000000000 ] - [ -0.0003484300000000, 0.0000296500000000, 0.0006964100000000 ] - [ 0.0000597900000000, 0.0001807400000000, 0.0000841100000000 ] - [ 0.0000731600000000, 0.0000003000000000, -0.0000839200000000 ] - [ 0.0000109400000000, 0.0000759000000000, -0.0001476000000000 ] - [ -0.0000300600000000, 0.0000074500000000, -0.0000536400000000 ] - [ -0.0001268700000000, 0.0003991400000000, -0.0002398200000000 ] - [ -0.0000758500000000, -0.0000001400000000, -0.0000451800000000 ] - [ -0.0000364900000000, 0.0000238600000000, -0.0001059700000000 ] - [ -0.0001152800000000, -0.0000135600000000, -0.0002799800000000 ] - [ 0.0000153300000000, -0.0000112100000000, 0.0000249200000000 ] - [ 0.0001364600000000, -0.0000002100000000, -0.0001254700000000 ] - [ -0.0000370200000000, -0.0000232200000000, -0.0001003500000000 ] - [ 0.0000228600000000, -0.0000000300000000, -0.0000293000000000 ] - [ 0.0000164500000000, 0.0000102100000000, 0.0000256900000000 ] - [ 0.0000559100000000, 0.0000000900000000, -0.0000659900000000 ] - [ 0.0000206500000000, 0.0000139000000000, -0.0000707700000000 ] - [ 0.0000279400000000, -0.0000002600000000, -0.0000853500000000 ] - [ 0.0001021200000000, 0.0000527300000000, -0.0000914200000000 ] - [ -0.0001144400000000, 0.0000045500000000, 0.0003029000000000 ] - [ 0.0000191600000000, -0.0000120900000000, -0.0000725800000000 ] - [ 0.0001562100000000, -0.0000023300000000, -0.0000757700000000 ] - [ 0.0001052900000000, -0.0000542700000000, -0.0000877800000000 ] - [ -0.0001007300000000, -0.0000091000000000, 0.0000772600000000 ] - [ 0.0000023700000000, -0.0000052300000000, -0.0001661100000000 ] - [ -0.0000713100000000, -0.0005252600000000, -0.0001371500000000 ] - [ -0.0000365400000000, 0.0003998400000000, -0.0001072700000000 ]- atom: 68 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0002079300000000, 0.0006137400000000, -0.0033844400000000 ] - [ -0.0014060300000000, -0.0000057800000000, 0.0017401500000000 ] - [ 0.0014199600000000, 0.0011402600000000, -0.0005659400000000 ] - [ 0.0006637900000000, -0.0011552500000000, 0.0137136000000000 ] - [ 0.0000949700000000, 0.0000097000000000, -0.0009152700000000 ] - [ 0.0000429500000000, 0.0001098900000000, -0.0014093600000000 ] - [ 0.0000098500000000, -0.0000015100000000, -0.0008313500000000 ] - [ -0.0000153500000000, 0.0000009700000000, -0.0009792900000000 ] - [ -0.0000393300000000, -0.0000999000000000, -0.0006648200000000 ] - [ 0.0000083600000000, -0.0000105000000000, -0.0009662000000000 ] - [ 0.0001435600000000, 0.0001420000000000, 0.0002313900000000 ] - [ -0.0014804300000000, 0.0051149500000000, 0.0160202100000000 ] - [ -0.0025880000000000, 0.0002070900000000, -0.0006769700000000 ] - [ -0.0010621300000000, 0.0000117800000000, 0.0020156300000000 ] - [ -0.0001523600000000, 0.0000081600000000, -0.0007891200000000 ] - [ 0.0000857200000000, 0.0000819100000000, -0.0006616000000000 ] - [ 0.0000174200000000, -0.0000007800000000, -0.0008035500000000 ] - [ -0.0000462900000000, 0.0000019500000000, -0.0010110200000000 ] - [ 0.0001169400000000, -0.0000954700000000, -0.0011973800000000 ] - [ 0.0001544000000000, -0.0000079700000000, -0.0010197900000000 ] - [ 0.0036324600000000, 0.0021238300000000, -0.0026083100000000 ] - [ -0.0029465200000000, -0.0003386900000000, -0.0018822500000000 ] - [ -0.0014618600000000, -0.0016586200000000, 0.0072312800000000 ] - [ 0.0039536100000000, -0.0029761600000000, 0.0052008000000000 ] - [ 0.0293922200000000, -0.0022591000000000, 0.0321378200000000 ] - [ -0.0004851100000000, -0.0000344000000000, 0.0004557800000000 ] - [ 0.0000964500000000, -0.0000027200000000, -0.0013869300000000 ] - [ 0.0002711900000000, -0.0000312800000000, -0.0017375100000000 ] - [ 0.0027725400000000, -0.0005615500000000, -0.0025096800000000 ] - [ 0.0000919900000000, 0.0000002900000000, -0.0014048600000000 ] - [ 0.0125236600000000, 0.0237023900000000, 0.0196720100000000 ] - [ -0.0000799300000000, 0.0000583300000000, -0.0014623900000000 ] - [ 0.0000871500000000, -0.0000068000000000, -0.0012183000000000 ] - [ 0.0009745700000000, -0.0002588900000000, -0.0012893400000000 ] - [ 0.0000904700000000, 0.0000473000000000, -0.0013108300000000 ] - [ 0.0000095000000000, 0.0000272600000000, -0.0013065800000000 ] - [ 0.0000879000000000, -0.0000470200000000, -0.0013139000000000 ] - [ 0.0005142300000000, 0.0000568400000000, -0.0013113600000000 ] - [ -0.0007600400000000, -0.0000249500000000, -0.0014128000000000 ] - [ 0.0001184900000000, 0.0000042900000000, -0.0013551500000000 ] - [ -0.0017384700000000, 0.0000609700000000, -0.0000293100000000 ] - [ 0.0015961500000000, -0.0013301800000000, -0.0007852900000000 ] - [ 0.0011193900000000, 0.0003327800000000, 0.0049244500000000 ] - [ -0.0054345400000000, 0.0010288000000000, 0.0024958400000000 ] - [ -0.0001709700000000, -0.0003398400000000, 0.0042362300000000 ] - [ 0.0004925800000000, 0.0004908100000000, -0.0057156300000000 ] - [ -0.0000168800000000, -0.0000044400000000, -0.0013386700000000 ] - [ -0.0002878500000000, -0.0000036300000000, -0.0008912100000000 ] - [ -0.0002602800000000, 0.0000369900000000, 0.0004913900000000 ] - [ 0.0000949500000000, -0.0000001900000000, -0.0014823600000000 ] - [ -0.0021428200000000, 0.0003178700000000, 0.0035823300000000 ] - [ 0.0000740600000000, 0.0000066100000000, -0.0012342500000000 ] - [ -0.0000589600000000, -0.0000591400000000, -0.0014335600000000 ] - [ -0.0013182100000000, -0.0002543900000000, -0.0014858500000000 ] - [ 0.0001185600000000, 0.0000532500000000, -0.0013460800000000 ] - [ 0.0000291600000000, 0.0000231600000000, -0.0015537700000000 ] - [ 0.0001166700000000, -0.0000530700000000, -0.0013488200000000 ] - [ -0.0005650800000000, 0.0000290400000000, -0.0013100200000000 ] - [ 0.0003317800000000, -0.0000592600000000, -0.0014764300000000 ] - [ 0.0000615400000000, 0.0000070400000000, -0.0014744900000000 ] - [ 0.0019208700000000, 0.0002511500000000, -0.0006798900000000 ] - [ 0.0018901400000000, -0.0024256400000000, -0.0061382100000000 ] - [ -0.0019989000000000, 0.0000735400000000, -0.0015580600000000 ] - [ 0.0022962800000000, -0.0055869700000000, 0.0053354900000000 ] - [ 0.0032959100000000, 0.0012442000000000, -0.0041315800000000 ] - [ -0.0066341800000000, 0.0003084900000000, 0.0054152800000000 ] - [ 0.0041359300000000, 0.0097550300000000, 0.0087944100000000 ] - [ -0.0475266800000000, -0.0308083700000000, -0.0958842900000000 ] - [ -0.0007883100000000, -0.0002291300000000, 0.0017006000000000 ] - [ -0.0021512200000000, -0.0004882900000000, -0.0014904600000000 ] - [ -0.0003005800000000, 0.0002110800000000, -0.0012078100000000 ] - [ -0.0023591300000000, 0.0025016500000000, -0.0073027000000000 ] - [ -0.0009697900000000, 0.0002016700000000, 0.0014404600000000 ] - [ 0.0000608900000000, -0.0001639400000000, 0.0009447700000000 ] - [ 0.0017314700000000, 0.0039129900000000, 0.0063633800000000 ] - [ 0.0012299800000000, 0.0005106500000000, 0.0020619600000000 ] - [ 0.0000062200000000, -0.0000015600000000, 0.0010942500000000 ] - [ 0.0000934200000000, 0.0001173100000000, 0.0005252700000000 ] - [ -0.0003662100000000, -0.0000110800000000, 0.0008251200000000 ] - [ -0.0004410300000000, -0.0000571300000000, 0.0001366600000000 ] - [ -0.0002431900000000, 0.0000023000000000, 0.0009074500000000 ] - [ 0.0000680600000000, -0.0000689600000000, 0.0007510100000000 ] - [ -0.0002846600000000, 0.0000105200000000, 0.0009762200000000 ] - [ 0.0000919200000000, 0.0000807800000000, 0.0009026500000000 ] - [ 0.0000824400000000, -0.0000014700000000, 0.0010759200000000 ] - [ 0.0000883800000000, 0.0000775200000000, 0.0007882000000000 ] - [ -0.0001445900000000, -0.0000007100000000, 0.0008792100000000 ] - [ 0.0000937800000000, -0.0000804300000000, 0.0008963300000000 ] - [ -0.0000999500000000, 0.0000015800000000, 0.0008149600000000 ] - [ 0.0001354600000000, -0.0000490000000000, 0.0007239300000000 ] - [ -0.0000260400000000, 0.0000009000000000, 0.0011677400000000 ] - [ 0.0001889000000000, 0.0001379300000000, 0.0007786900000000 ] - [ 0.0003334800000000, -0.0000075900000000, 0.0005759100000000 ] - [ 0.0001663900000000, 0.0000500100000000, 0.0006866800000000 ] - [ 0.0001653900000000, -0.0000403700000000, 0.0008916600000000 ] - [ 0.0002460900000000, -0.0001503800000000, 0.0007967100000000 ] - [ -0.0007487500000000, 0.0000950900000000, 0.0013237700000000 ] - [ -0.0001413000000000, 0.0000301700000000, 0.0010679200000000 ] - [ -0.0004216900000000, -0.0000489100000000, 0.0007201800000000 ] - [ -0.0001877900000000, 0.0000115700000000, 0.0002044600000000 ] - [ -0.0068102900000000, 0.0007004900000000, 0.0037152600000000 ] - [ 0.0014606500000000, -0.0007528300000000, -0.0047665500000000 ] - [ 0.0017901000000000, -0.0002812500000000, -0.0003468400000000 ] - [ -0.0000167100000000, 0.0003215300000000, -0.0015458500000000 ] - [ 0.0032464400000000, 0.0022507800000000, -0.0063676500000000 ] - [ 0.0012686500000000, -0.0000675500000000, -0.0007857000000000 ] - [ 0.0001758600000000, -0.0002687000000000, -0.0018592000000000 ] - [ 0.0013309900000000, 0.0001803000000000, -0.0015434800000000 ] - [ 0.0002039000000000, 0.0000145100000000, 0.0003548500000000 ] - [ 0.0012867400000000, -0.0000011500000000, -0.0006675800000000 ] - [ 0.0027382000000000, -0.0050668900000000, 0.0066121100000000 ] - [ 0.0008133600000000, -0.0000811400000000, -0.0016647300000000 ] - [ 0.0004873200000000, -0.0000083200000000, 0.0000016500000000 ] - [ 0.0000711700000000, -0.0001185700000000, 0.0005609900000000 ] - [ -0.0001550300000000, -0.0002345500000000, -0.0020338900000000 ] - [ -0.0008192300000000, 0.0000473300000000, 0.0005486300000000 ] - [ 0.0000200400000000, -0.0000024700000000, 0.0012210800000000 ] - [ 0.0000704700000000, 0.0001542900000000, 0.0008889400000000 ] - [ 0.0000702300000000, -0.0000335100000000, 0.0009301700000000 ] - [ 0.0008482300000000, -0.0003684600000000, 0.0013905700000000 ] - [ -0.0002338600000000, 0.0000013800000000, 0.0008040200000000 ] - [ 0.0000878500000000, -0.0000776800000000, 0.0007906500000000 ] - [ 0.0000455200000000, 0.0000347100000000, 0.0012503000000000 ] - [ 0.0001967900000000, 0.0001006800000000, 0.0009304200000000 ] - [ 0.0000792600000000, -0.0000010800000000, 0.0011616800000000 ] - [ 0.0000682900000000, 0.0000688600000000, 0.0007487900000000 ] - [ -0.0001344100000000, -0.0000008100000000, 0.0008755000000000 ] - [ 0.0001950900000000, -0.0000992100000000, 0.0009204300000000 ] - [ -0.0001187800000000, 0.0000009300000000, 0.0008781200000000 ] - [ 0.0000491700000000, -0.0000727800000000, 0.0009191500000000 ] - [ -0.0000219000000000, 0.0000009800000000, 0.0011644700000000 ] - [ 0.0002472100000000, 0.0001518900000000, 0.0008068000000000 ] - [ -0.0004921600000000, -0.0000656000000000, 0.0014441500000000 ] - [ 0.0000678500000000, 0.0000727600000000, 0.0008833000000000 ] - [ -0.0001028800000000, -0.0000257600000000, 0.0007542100000000 ] - [ 0.0001888600000000, -0.0001370200000000, 0.0007714700000000 ] - [ 0.0005205600000000, 0.0000158100000000, 0.0005375000000000 ] - [ 0.0001050800000000, 0.0000488000000000, 0.0013176600000000 ] - [ 0.0009454200000000, 0.0002066700000000, 0.0019595000000000 ] - [ 0.0006388100000000, -0.0001423700000000, 0.0014080200000000 ]- atom: 68 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0001414800000000, -0.0006175200000000, 0.0032260100000000 ] - [ 0.0012527600000000, 0.0000081800000000, -0.0017593200000000 ] - [ -0.0015418700000000, -0.0011431100000000, 0.0005458200000000 ] - [ -0.0005893400000000, 0.0015729900000000, -0.0139336200000000 ] - [ -0.0001102000000000, -0.0000097900000000, 0.0008860500000000 ] - [ 0.0000274500000000, -0.0001099700000000, 0.0014059300000000 ] - [ 0.0000338800000000, 0.0000014000000000, 0.0008709200000000 ] - [ 0.0000185300000000, -0.0000008300000000, 0.0009204400000000 ] - [ -0.0000104900000000, 0.0000981100000000, 0.0005898500000000 ] - [ 0.0002353200000000, 0.0000104900000000, 0.0009243300000000 ] - [ -0.0000760200000000, -0.0001488700000000, -0.0003830100000000 ] - [ 0.0010558500000000, -0.0046919300000000, -0.0157827500000000 ] - [ 0.0024807200000000, -0.0002066800000000, 0.0006575700000000 ] - [ 0.0008586100000000, -0.0000089100000000, -0.0019459700000000 ] - [ 0.0001390100000000, -0.0000076500000000, 0.0007601800000000 ] - [ -0.0000159500000000, -0.0000816100000000, 0.0006536800000000 ] - [ 0.0000260100000000, 0.0000009100000000, 0.0008432300000000 ] - [ 0.0000492500000000, -0.0000015100000000, 0.0009520300000000 ] - [ -0.0001661000000000, 0.0000937400000000, 0.0011202700000000 ] - [ 0.0000900200000000, 0.0000081800000000, 0.0009773000000000 ] - [ -0.0034899600000000, -0.0021133200000000, 0.0025628200000000 ] - [ 0.0030947900000000, 0.0003334400000000, 0.0018683600000000 ] - [ 0.0014998500000000, 0.0013577400000000, -0.0071957400000000 ] - [ -0.0042765300000000, 0.0029843000000000, -0.0051079000000000 ] - [ -0.0276717800000000, 0.0024403600000000, -0.0312925100000000 ] - [ 0.0004155500000000, 0.0002149400000000, -0.0004821300000000 ] - [ -0.0000959200000000, 0.0000028500000000, 0.0014317000000000 ] - [ -0.0003630500000000, 0.0000311700000000, 0.0017926200000000 ] - [ -0.0028583100000000, 0.0003829800000000, 0.0024928600000000 ] - [ 0.0000111200000000, -0.0000004200000000, 0.0012807800000000 ] - [ -0.0130599200000000, -0.0241612000000000, -0.0195330600000000 ] - [ 0.0001250900000000, -0.0001411000000000, 0.0014417300000000 ] - [ -0.0000426000000000, 0.0000893200000000, 0.0011964500000000 ] - [ -0.0011038000000000, 0.0002601300000000, 0.0013514800000000 ] - [ 0.0001811100000000, -0.0000750200000000, 0.0012770900000000 ] - [ -0.0000906100000000, -0.0000271600000000, 0.0012949600000000 ] - [ 0.0001836500000000, 0.0000746700000000, 0.0012784700000000 ] - [ -0.0004618700000000, -0.0000291700000000, 0.0012280700000000 ] - [ 0.0008075500000000, -0.0000024400000000, 0.0013282500000000 ] - [ -0.0000224800000000, -0.0000040400000000, 0.0013349400000000 ] - [ 0.0018540000000000, -0.0000583300000000, 0.0000006000000000 ] - [ -0.0014292600000000, 0.0013266600000000, 0.0007753400000000 ] - [ -0.0010919100000000, -0.0006259500000000, -0.0049253400000000 ] - [ 0.0051485200000000, -0.0010427100000000, -0.0023951000000000 ] - [ 0.0002055500000000, 0.0006329000000000, -0.0042345700000000 ] - [ -0.0005697300000000, -0.0003132500000000, 0.0057336100000000 ] - [ 0.0000187500000000, 0.0000043200000000, 0.0013831200000000 ] - [ 0.0001983900000000, 0.0000034900000000, 0.0009426700000000 ] - [ 0.0001905000000000, -0.0002175800000000, -0.0005171600000000 ] - [ 0.0000081400000000, 0.0000000600000000, 0.0013586300000000 ] - [ 0.0018146600000000, -0.0003211100000000, -0.0035907800000000 ] - [ -0.0000295000000000, -0.0000891300000000, 0.0012128300000000 ] - [ 0.0001041100000000, 0.0001419700000000, 0.0014124400000000 ] - [ 0.0011992000000000, 0.0002555000000000, 0.0015496400000000 ] - [ 0.0001532700000000, -0.0000809600000000, 0.0013123400000000 ] - [ -0.0001106900000000, -0.0000231200000000, 0.0015412000000000 ] - [ 0.0001550900000000, 0.0000807400000000, 0.0013132900000000 ] - [ 0.0006136600000000, -0.0000017800000000, 0.0012273600000000 ] - [ -0.0002801100000000, 0.0000315700000000, 0.0013912600000000 ] - [ 0.0000336800000000, -0.0000068800000000, 0.0014539800000000 ] - [ -0.0019634400000000, 0.0000186700000000, 0.0006597600000000 ] - [ -0.0021120400000000, 0.0024297800000000, 0.0064139400000000 ] - [ 0.0019429200000000, -0.0003453200000000, 0.0015348500000000 ] - [ -0.0023303200000000, 0.0055083900000000, -0.0052920500000000 ] - [ -0.0034217500000000, -0.0012408500000000, 0.0040606300000000 ] - [ 0.0065752600000000, -0.0003235100000000, -0.0053696200000000 ] - [ -0.0039444400000000, -0.0096127300000000, -0.0089127400000000 ] - [ 0.0459215200000000, 0.0305072100000000, 0.0948606500000000 ] - [ 0.0004894900000000, 0.0002293700000000, -0.0015449100000000 ] - [ 0.0020330100000000, 0.0005076000000000, 0.0015919300000000 ] - [ 0.0002110500000000, -0.0002125300000000, 0.0012360700000000 ] - [ 0.0022295200000000, -0.0025412700000000, 0.0072704900000000 ] - [ 0.0009127700000000, -0.0002022100000000, -0.0015058400000000 ] - [ -0.0000797300000000, 0.0000402300000000, -0.0010802700000000 ] - [ -0.0017958800000000, -0.0039558500000000, -0.0065321500000000 ] - [ -0.0012197600000000, -0.0002889300000000, -0.0020354400000000 ] - [ 0.0001209800000000, 0.0000014600000000, -0.0010675000000000 ] - [ -0.0001126100000000, 0.0000067900000000, -0.0006614800000000 ] - [ 0.0003315600000000, 0.0000112100000000, -0.0007724800000000 ] - [ 0.0004598800000000, -0.0001654600000000, -0.0001011800000000 ] - [ 0.0000753600000000, -0.0000022900000000, -0.0008707300000000 ] - [ -0.0001219300000000, 0.0000953700000000, -0.0008194400000000 ] - [ 0.0001268000000000, -0.0000105500000000, -0.0011353600000000 ] - [ -0.0000189400000000, -0.0000802400000000, -0.0006969200000000 ] - [ 0.0001788400000000, 0.0000014100000000, -0.0011382300000000 ] - [ -0.0001422200000000, -0.0001039200000000, -0.0008585500000000 ] - [ 0.0001667500000000, 0.0000008100000000, -0.0007986700000000 ] - [ -0.0000209100000000, 0.0000798900000000, -0.0006928000000000 ] - [ 0.0001838300000000, -0.0000016400000000, -0.0007951500000000 ] - [ -0.0000969600000000, 0.0000836600000000, -0.0007223600000000 ] - [ 0.0000776100000000, -0.0000008800000000, -0.0011311400000000 ] - [ 0.0000329500000000, -0.0000238800000000, -0.0008208000000000 ] - [ -0.0003669500000000, 0.0000072500000000, -0.0003310600000000 ] - [ -0.0001278400000000, -0.0000846700000000, -0.0006861000000000 ] - [ 0.0001584600000000, 0.0000402600000000, -0.0009710700000000 ] - [ -0.0000244700000000, 0.0000366000000000, -0.0008410800000000 ] - [ 0.0007242600000000, -0.0000955100000000, -0.0010998000000000 ] - [ 0.0001793500000000, -0.0000301200000000, -0.0010847300000000 ] - [ 0.0005186300000000, 0.0000991200000000, -0.0006627100000000 ] - [ 0.0002852600000000, -0.0000623800000000, -0.0001518800000000 ] - [ 0.0067034600000000, -0.0004244000000000, -0.0037035600000000 ] - [ -0.0016221500000000, 0.0007372200000000, 0.0050632000000000 ] - [ -0.0018592800000000, 0.0000134000000000, 0.0003123200000000 ] - [ -0.0000432100000000, -0.0003196300000000, 0.0015170900000000 ] - [ -0.0034331300000000, -0.0022581400000000, 0.0062621000000000 ] - [ -0.0013980700000000, 0.0000477800000000, 0.0008850500000000 ] - [ -0.0000291000000000, 0.0002675700000000, 0.0016119400000000 ] - [ -0.0014431900000000, -0.0001781300000000, 0.0015217300000000 ] - [ -0.0005079700000000, -0.0000148700000000, -0.0001931700000000 ] - [ -0.0014176900000000, 0.0000216300000000, 0.0007617800000000 ] - [ -0.0028558500000000, 0.0051412400000000, -0.0066686300000000 ] - [ -0.0009262600000000, 0.0000797600000000, 0.0016415100000000 ] - [ -0.0005512100000000, 0.0000084100000000, -0.0000607400000000 ] - [ -0.0000901200000000, -0.0000055100000000, -0.0006952500000000 ] - [ 0.0001109400000000, 0.0002359700000000, 0.0019420600000000 ] - [ 0.0008398100000000, 0.0001752400000000, -0.0005131500000000 ] - [ 0.0001070400000000, 0.0000024100000000, -0.0011947600000000 ] - [ -0.0000894300000000, -0.0000305500000000, -0.0010263000000000 ] - [ -0.0001067000000000, 0.0000336800000000, -0.0008779900000000 ] - [ -0.0008346300000000, 0.0001471000000000, -0.0013611000000000 ] - [ 0.0000655800000000, -0.0000014500000000, -0.0007669300000000 ] - [ -0.0001416400000000, 0.0001040400000000, -0.0008592800000000 ] - [ -0.0002043600000000, -0.0000348300000000, -0.0014103800000000 ] - [ -0.0001239800000000, -0.0001002000000000, -0.0007246500000000 ] - [ 0.0001820300000000, 0.0000010300000000, -0.0012237200000000 ] - [ -0.0001222800000000, -0.0000952700000000, -0.0008190900000000 ] - [ 0.0001563600000000, 0.0000008600000000, -0.0007950500000000 ] - [ -0.0001222300000000, 0.0000987000000000, -0.0007168400000000 ] - [ 0.0002034900000000, -0.0000009900000000, -0.0008582000000000 ] - [ -0.0000108400000000, 0.0001072600000000, -0.0009167200000000 ] - [ 0.0000735900000000, -0.0000009600000000, -0.0011280400000000 ] - [ -0.0000254000000000, -0.0000380400000000, -0.0008488200000000 ] - [ 0.0004553900000000, 0.0000660600000000, -0.0011948500000000 ] - [ -0.0000294100000000, -0.0001072200000000, -0.0008818700000000 ] - [ 0.0004254700000000, 0.0000258200000000, -0.0008338500000000 ] - [ 0.0000329300000000, 0.0000229000000000, -0.0008158500000000 ] - [ -0.0005412700000000, -0.0000154900000000, -0.0003170300000000 ] - [ -0.0000660600000000, -0.0000485300000000, -0.0013333100000000 ] - [ -0.0008424900000000, -0.0001558500000000, -0.0018959300000000 ] - [ -0.0005382200000000, 0.0000916700000000, -0.0013513700000000 ]- atom: 69 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0000716600000000, 0.0000000000000000, -0.0000230500000000 ] - [ -0.0002759500000000, 0.0000000000000000, -0.0001960500000000 ] - [ 0.0159502300000000, 0.0000000000000000, 0.0040376700000000 ] - [ 0.0028322900000000, 0.0000000000000000, 0.0000047100000000 ] - [ 0.0017107100000000, 0.0000000000000000, -0.0006150800000000 ] - [ 0.0020617200000000, 0.0000000000000000, -0.0022943600000000 ] - [ 0.0001087300000000, 0.0000000000000000, 0.0000017600000000 ] - [ 0.0000497000000000, 0.0000000000000000, 0.0002282600000000 ] - [ -0.0000513300000000, 0.0000000000000000, 0.0000191300000000 ] - [ 0.0001405600000000, 0.0000000000000000, 0.0000338100000000 ] - [ -0.0000112300000000, 0.0000000000000000, -0.0000298800000000 ] - [ 0.0000715700000000, 0.0000000000000000, 0.0003933700000000 ] - [ -0.0026111100000000, 0.0000000000000000, 0.0026413500000000 ] - [ -0.0011386600000000, 0.0000000000000000, 0.0001152900000000 ] - [ -0.0012947000000000, 0.0000000000000000, -0.0000183000000000 ] - [ -0.0036128900000000, 0.0000000000000000, 0.0015172900000000 ] - [ -0.0000659400000000, 0.0000000000000000, 0.0001197100000000 ] - [ -0.0001279600000000, 0.0000000000000000, -0.0002103500000000 ] - [ 0.0000032300000000, 0.0000000000000000, 0.0000025200000000 ] - [ 0.0001065300000000, 0.0000000000000000, 0.0000320900000000 ] - [ 0.0001573900000000, 0.0000000000000000, 0.0001508200000000 ] - [ 0.0001768100000000, 0.0000000000000000, -0.0000194000000000 ] - [ 0.0006392500000000, -0.0000329100000000, -0.0002712300000000 ] - [ -0.0004722300000000, 0.0000000000000000, -0.0012531800000000 ] - [ 0.0006392500000000, 0.0000329100000000, -0.0002712300000000 ] - [ -0.0046344900000000, 0.0003440200000000, -0.0017893100000000 ] - [ 0.0009010500000000, 0.0000000000000000, 0.0000843900000000 ] - [ 0.0088831100000000, 0.0000000000000000, 0.0075833400000000 ] - [ 0.0197530700000000, -0.0158176400000000, -0.0105171700000000 ] - [ -0.0000750200000000, 0.0000000000000000, 0.0005182000000000 ] - [ 0.0002829600000000, 0.0000000000000000, 0.0011467700000000 ] - [ -0.0003180500000000, 0.0000692000000000, -0.0013883000000000 ] - [ -0.0006083700000000, -0.0011515400000000, 0.0016882900000000 ] - [ 0.0028974700000000, 0.0000000000000000, 0.0021496900000000 ] - [ 0.0002275800000000, -0.0000303800000000, 0.0001158100000000 ] - [ -0.0000598000000000, 0.0000000000000000, 0.0000986200000000 ] - [ 0.0002275800000000, 0.0000303800000000, 0.0001158100000000 ] - [ 0.0000151500000000, 0.0000104400000000, 0.0000599200000000 ] - [ 0.0000420300000000, -0.0000076900000000, 0.0000046000000000 ] - [ 0.0000083800000000, 0.0000000000000000, 0.0001009000000000 ] - [ -0.0000854200000000, 0.0000000000000000, -0.0000301100000000 ] - [ 0.0000226500000000, 0.0000000000000000, 0.0001781900000000 ] - [ -0.0004796800000000, -0.0003441200000000, 0.0002812100000000 ] - [ -0.0041300200000000, 0.0000000000000000, 0.0016691000000000 ] - [ -0.0004796800000000, 0.0003441200000000, 0.0002812100000000 ] - [ 0.0197530700000000, 0.0158176400000000, -0.0105171700000000 ] - [ -0.0007089300000000, 0.0000000000000000, 0.0000801800000000 ] - [ -0.0029327300000000, 0.0000000000000000, 0.0000159200000000 ] - [ -0.0046344900000000, -0.0003440200000000, -0.0017893100000000 ] - [ 0.0002390800000000, 0.0000000000000000, -0.0004292500000000 ] - [ -0.0006263900000000, 0.0000000000000000, -0.0011434300000000 ] - [ -0.0006083700000000, 0.0011515400000000, 0.0016882900000000 ] - [ -0.0003180500000000, -0.0000692000000000, -0.0013883000000000 ] - [ -0.0079001800000000, 0.0000000000000000, -0.0030476100000000 ] - [ 0.0000397500000000, 0.0000181300000000, -0.0000026700000000 ] - [ -0.0000264800000000, 0.0000000000000000, 0.0000492900000000 ] - [ 0.0000397500000000, -0.0000181300000000, -0.0000026700000000 ] - [ 0.0000420300000000, 0.0000076900000000, 0.0000046000000000 ] - [ 0.0000151500000000, -0.0000104400000000, 0.0000599200000000 ] - [ 0.0000863000000000, 0.0000000000000000, 0.0000344200000000 ] - [ 0.0000250100000000, 0.0000904900000000, 0.0001316500000000 ] - [ -0.0001726000000000, 0.0000000000000000, 0.0012386300000000 ] - [ -0.0000779900000000, -0.0001863300000000, -0.0002085100000000 ] - [ -0.0002505700000000, 0.0000000000000000, -0.0000496100000000 ] - [ 0.0002731200000000, 0.0000000000000000, -0.0003997500000000 ] - [ -0.0028840900000000, -0.0028536100000000, 0.0041918300000000 ] - [ -0.0000898400000000, 0.0000000000000000, -0.0002232000000000 ] - [ -0.0009227600000000, 0.0001736000000000, -0.0005293600000000 ] - [ -0.0801353700000000, 0.0000000000000000, 0.0081891200000000 ] - [ -0.0028840900000000, 0.0028536100000000, 0.0041918300000000 ] - [ 0.0010445900000000, 0.0000000000000000, 0.0012200200000000 ] - [ -0.0009227600000000, -0.0001736000000000, -0.0005293600000000 ] - [ -0.0059114500000000, 0.0000000000000000, 0.0013438600000000 ] - [ -0.0014272300000000, -0.0010561100000000, 0.0019511100000000 ] - [ -0.0006805700000000, 0.0000000000000000, -0.0015862900000000 ] - [ 0.0069768100000000, -0.0042132200000000, 0.0008918000000000 ] - [ 0.0006453800000000, 0.0000000000000000, -0.0010409000000000 ] - [ 0.0014244800000000, 0.0003714200000000, -0.0004355400000000 ] - [ 0.0024587200000000, 0.0000000000000000, -0.0054606400000000 ] - [ 0.0086645000000000, 0.0048538200000000, 0.0004860200000000 ] - [ -0.0003965400000000, 0.0000000000000000, 0.0005591600000000 ] - [ -0.0000716200000000, 0.0000650500000000, -0.0002315000000000 ] - [ -0.0008747100000000, 0.0000000000000000, -0.0012270200000000 ] - [ -0.0007290400000000, 0.0000920200000000, -0.0003307600000000 ] - [ 0.0001200600000000, 0.0000000000000000, -0.0001424700000000 ] - [ 0.0000106900000000, 0.0000221200000000, 0.0000908400000000 ] - [ -0.0001706200000000, 0.0000000000000000, -0.0000091700000000 ] - [ -0.0007290400000000, -0.0000920200000000, -0.0003307600000000 ] - [ 0.0000452800000000, 0.0000000000000000, -0.0000704700000000 ] - [ 0.0000172800000000, 0.0000242000000000, -0.0000460900000000 ] - [ -0.0000943700000000, 0.0000000000000000, -0.0000906300000000 ] - [ 0.0001394000000000, 0.0000606700000000, -0.0000720200000000 ] - [ 0.0000083200000000, 0.0000000000000000, 0.0001013100000000 ] - [ 0.0000172800000000, -0.0000242000000000, -0.0000460900000000 ] - [ 0.0001560800000000, 0.0000000000000000, -0.0000749600000000 ] - [ 0.0000685500000000, -0.0000488000000000, -0.0000628900000000 ] - [ -0.0000207900000000, 0.0000000000000000, 0.0000292900000000 ] - [ 0.0000323900000000, 0.0000000000000000, -0.0000906700000000 ] - [ 0.0000699800000000, 0.0000312600000000, -0.0000386300000000 ] - [ 0.0000699800000000, -0.0000312600000000, -0.0000386300000000 ] - [ -0.0000779900000000, 0.0001863300000000, -0.0002085100000000 ] - [ 0.0004745800000000, 0.0000000000000000, -0.0009699900000000 ] - [ 0.0000250100000000, -0.0000904900000000, 0.0001316500000000 ] - [ 0.0002114000000000, 0.0000000000000000, -0.0001488400000000 ] - [ -0.0003613200000000, 0.0000000000000000, 0.0004818000000000 ] - [ 0.0017935900000000, -0.0003622500000000, -0.0001928200000000 ] - [ 0.0002221200000000, 0.0000000000000000, -0.0001287500000000 ] - [ 0.0004612100000000, 0.0000805100000000, 0.0002750300000000 ] - [ 0.0036866000000000, 0.0000000000000000, 0.0000515500000000 ] - [ 0.0017935900000000, 0.0003622500000000, -0.0001928200000000 ] - [ 0.0031706500000000, 0.0000000000000000, -0.0084399100000000 ] - [ 0.0004612100000000, -0.0000805100000000, 0.0002750300000000 ] - [ 0.0040051700000000, 0.0000000000000000, -0.0005040400000000 ] - [ 0.0014244800000000, -0.0003714200000000, -0.0004355400000000 ] - [ 0.0015393200000000, 0.0000000000000000, 0.0017423800000000 ] - [ 0.0086645000000000, -0.0048538200000000, 0.0004860200000000 ] - [ 0.0000027100000000, 0.0000000000000000, 0.0008038300000000 ] - [ -0.0014272300000000, 0.0010561100000000, 0.0019511100000000 ] - [ 0.0010660300000000, 0.0000000000000000, 0.0012309900000000 ] - [ 0.0069768100000000, 0.0042132200000000, 0.0008918000000000 ] - [ 0.0002562300000000, 0.0000000000000000, -0.0003873400000000 ] - [ 0.0000106900000000, -0.0000221200000000, 0.0000908400000000 ] - [ 0.0007722100000000, 0.0000000000000000, 0.0016431200000000 ] - [ 0.0005870200000000, 0.0000805100000000, 0.0004111800000000 ] - [ 0.0001520100000000, 0.0000000000000000, -0.0000542700000000 ] - [ -0.0000716200000000, -0.0000650500000000, -0.0002315000000000 ] - [ 0.0002411400000000, 0.0000000000000000, -0.0000546100000000 ] - [ 0.0005870200000000, -0.0000805100000000, 0.0004111800000000 ] - [ 0.0000530700000000, 0.0000000000000000, 0.0000010700000000 ] - [ 0.0000099500000000, 0.0000223200000000, -0.0000437700000000 ] - [ 0.0001431800000000, 0.0000000000000000, 0.0000239500000000 ] - [ 0.0000685500000000, 0.0000488000000000, -0.0000628900000000 ] - [ -0.0000334200000000, 0.0000000000000000, 0.0000252600000000 ] - [ 0.0000099500000000, -0.0000223200000000, -0.0000437700000000 ] - [ 0.0001870400000000, 0.0000000000000000, -0.0001014900000000 ] - [ 0.0001394000000000, -0.0000606700000000, -0.0000720200000000 ] - [ 0.0000047200000000, 0.0000000000000000, 0.0001001700000000 ] - [ 0.0000097700000000, 0.0000000000000000, -0.0000594900000000 ] - [ 0.0000156000000000, 0.0000229900000000, -0.0000025900000000 ] - [ 0.0000156000000000, -0.0000229900000000, -0.0000025900000000 ]- atom: 69 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0000057100000000, 0.0000000000000000, -0.0001324800000000 ] - [ 0.0001226600000000, 0.0000000000000000, 0.0001624700000000 ] - [ -0.0148506300000000, 0.0000000000000000, -0.0031508100000000 ] - [ -0.0030397600000000, 0.0000000000000000, 0.0000885000000000 ] - [ -0.0017111500000000, 0.0000000000000000, 0.0005769300000000 ] - [ -0.0020232000000000, 0.0000000000000000, 0.0023070300000000 ] - [ -0.0000645200000000, 0.0000000000000000, 0.0000350700000000 ] - [ -0.0000446900000000, 0.0000000000000000, -0.0002889600000000 ] - [ 0.0000015000000000, 0.0000000000000000, -0.0000963600000000 ] - [ 0.0001039200000000, 0.0000000000000000, -0.0000776200000000 ] - [ 0.0000776800000000, 0.0000000000000000, -0.0001266200000000 ] - [ -0.0002292900000000, 0.0000000000000000, -0.0004270400000000 ] - [ 0.0024935700000000, 0.0000000000000000, -0.0026758800000000 ] - [ 0.0009403200000000, 0.0000000000000000, -0.0000325400000000 ] - [ 0.0012798000000000, 0.0000000000000000, -0.0000068200000000 ] - [ 0.0036709300000000, 0.0000000000000000, -0.0015049300000000 ] - [ 0.0001096300000000, 0.0000000000000000, -0.0000820300000000 ] - [ 0.0001281200000000, 0.0000000000000000, 0.0001496100000000 ] - [ -0.0000531600000000, 0.0000000000000000, -0.0000793200000000 ] - [ 0.0001378200000000, 0.0000000000000000, -0.0000761000000000 ] - [ -0.0000395000000000, 0.0000000000000000, -0.0001854000000000 ] - [ -0.0000132000000000, 0.0000000000000000, 0.0000073300000000 ] - [ -0.0006027600000000, -0.0002661300000000, 0.0002480000000000 ] - [ 0.0001821800000000, 0.0000000000000000, 0.0013806500000000 ] - [ -0.0006027600000000, 0.0002661300000000, 0.0002480000000000 ] - [ 0.0045597400000000, -0.0001637400000000, 0.0017543400000000 ] - [ -0.0008965300000000, 0.0000000000000000, -0.0000478200000000 ] - [ -0.0088568500000000, 0.0000000000000000, -0.0070981700000000 ] - [ -0.0198449600000000, 0.0160379200000000, 0.0108163900000000 ] - [ 0.0001788000000000, 0.0000000000000000, -0.0006427100000000 ] - [ -0.0006263400000000, 0.0000000000000000, -0.0011360800000000 ] - [ 0.0003418600000000, -0.0001553500000000, 0.0013656000000000 ] - [ 0.0006597400000000, 0.0012367500000000, -0.0017065600000000 ] - [ -0.0029829300000000, 0.0000000000000000, -0.0020790900000000 ] - [ 0.0000449800000000, 0.0000025400000000, -0.0001536100000000 ] - [ -0.0000220300000000, 0.0000000000000000, -0.0001133900000000 ] - [ 0.0000449800000000, -0.0000025400000000, -0.0001536100000000 ] - [ 0.0000353100000000, 0.0000165900000000, -0.0001461300000000 ] - [ 0.0000086600000000, -0.0000193500000000, -0.0000906800000000 ] - [ 0.0000876300000000, 0.0000000000000000, -0.0001234400000000 ] - [ 0.0002067400000000, 0.0000000000000000, -0.0000042400000000 ] - [ 0.0001405300000000, 0.0000000000000000, -0.0001914100000000 ] - [ 0.0005164900000000, 0.0000461500000000, -0.0003087400000000 ] - [ 0.0038126200000000, 0.0000000000000000, -0.0015506300000000 ] - [ 0.0005164900000000, -0.0000461500000000, -0.0003087400000000 ] - [ -0.0198449600000000, -0.0160379200000000, 0.0108163900000000 ] - [ 0.0007087100000000, 0.0000000000000000, -0.0000350400000000 ] - [ 0.0028382800000000, 0.0000000000000000, 0.0000540900000000 ] - [ 0.0045597400000000, 0.0001637400000000, 0.0017543400000000 ] - [ -0.0001358600000000, 0.0000000000000000, 0.0002986200000000 ] - [ 0.0002934900000000, 0.0000000000000000, 0.0011462400000000 ] - [ 0.0006597400000000, -0.0012367500000000, -0.0017065600000000 ] - [ 0.0003418600000000, 0.0001553500000000, 0.0013656000000000 ] - [ 0.0078234100000000, 0.0000000000000000, 0.0031381600000000 ] - [ 0.0002309300000000, -0.0000458400000000, -0.0000346400000000 ] - [ -0.0000557300000000, 0.0000000000000000, -0.0000641500000000 ] - [ 0.0002309300000000, 0.0000458400000000, -0.0000346400000000 ] - [ 0.0000086600000000, 0.0000193500000000, -0.0000906800000000 ] - [ 0.0000353100000000, -0.0000165900000000, -0.0001461300000000 ] - [ 0.0000089700000000, 0.0000000000000000, -0.0000576300000000 ] - [ -0.0000763500000000, 0.0001824100000000, -0.0001432200000000 ] - [ -0.0000275100000000, 0.0000000000000000, -0.0009535500000000 ] - [ 0.0000284200000000, -0.0000862800000000, 0.0001978600000000 ] - [ 0.0001945400000000, 0.0000000000000000, 0.0000283900000000 ] - [ -0.0004236700000000, 0.0000000000000000, 0.0003235400000000 ] - [ 0.0027320400000000, 0.0028430400000000, -0.0041151500000000 ] - [ 0.0002362500000000, 0.0000000000000000, -0.0000166600000000 ] - [ 0.0008116300000000, -0.0001731400000000, 0.0005044600000000 ] - [ 0.0784812300000000, 0.0000000000000000, -0.0100709500000000 ] - [ 0.0027320400000000, -0.0028430400000000, -0.0041151500000000 ] - [ -0.0011440100000000, 0.0000000000000000, -0.0011855200000000 ] - [ 0.0008116300000000, 0.0001731400000000, 0.0005044600000000 ] - [ 0.0058454700000000, 0.0000000000000000, -0.0014063100000000 ] - [ 0.0014302000000000, 0.0009176000000000, -0.0020662600000000 ] - [ 0.0006547200000000, 0.0000000000000000, 0.0014771100000000 ] - [ -0.0070258500000000, 0.0045058700000000, -0.0008643000000000 ] - [ -0.0005179700000000, 0.0000000000000000, 0.0010652200000000 ] - [ -0.0014435300000000, -0.0002494900000000, 0.0002924400000000 ] - [ -0.0025025200000000, 0.0000000000000000, 0.0054856600000000 ] - [ -0.0085621600000000, -0.0050140200000000, -0.0004519900000000 ] - [ 0.0002316600000000, 0.0000000000000000, -0.0005187000000000 ] - [ 0.0000175500000000, -0.0000383200000000, 0.0001628100000000 ] - [ 0.0007080700000000, 0.0000000000000000, 0.0010602800000000 ] - [ 0.0007968500000000, -0.0000912900000000, 0.0005358400000000 ] - [ 0.0001409900000000, 0.0000000000000000, 0.0000815600000000 ] - [ -0.0000627100000000, -0.0000481300000000, -0.0001579000000000 ] - [ 0.0001920600000000, 0.0000000000000000, 0.0000919600000000 ] - [ 0.0007968500000000, 0.0000912900000000, 0.0005358400000000 ] - [ 0.0000379700000000, 0.0000000000000000, 0.0000908500000000 ] - [ 0.0000212600000000, 0.0000107700000000, 0.0000484200000000 ] - [ 0.0001449500000000, 0.0000000000000000, 0.0001289100000000 ] - [ 0.0000822700000000, 0.0000539300000000, 0.0000291300000000 ] - [ -0.0000429300000000, 0.0000000000000000, 0.0001490300000000 ] - [ 0.0000212600000000, -0.0000107700000000, 0.0000484200000000 ] - [ 0.0001679700000000, 0.0000000000000000, -0.0000038200000000 ] - [ 0.0001524000000000, -0.0000659100000000, 0.0000202600000000 ] - [ -0.0000007600000000, 0.0000000000000000, 0.0001947100000000 ] - [ 0.0000055700000000, 0.0000000000000000, 0.0000733100000000 ] - [ 0.0000286300000000, 0.0000202200000000, 0.0000964400000000 ] - [ 0.0000286300000000, -0.0000202200000000, 0.0000964400000000 ] - [ 0.0000284200000000, 0.0000862800000000, 0.0001978600000000 ] - [ -0.0006720600000000, 0.0000000000000000, 0.0012632500000000 ] - [ -0.0000763500000000, -0.0001824100000000, -0.0001432200000000 ] - [ -0.0002685100000000, 0.0000000000000000, 0.0001292400000000 ] - [ 0.0002057800000000, 0.0000000000000000, -0.0005618900000000 ] - [ -0.0019179300000000, 0.0003431200000000, 0.0002873500000000 ] - [ -0.0000760800000000, 0.0000000000000000, -0.0001097300000000 ] - [ -0.0005756700000000, -0.0000788200000000, -0.0002964900000000 ] - [ -0.0039829800000000, 0.0000000000000000, 0.0001037100000000 ] - [ -0.0019179300000000, -0.0003431200000000, 0.0002873500000000 ] - [ -0.0032662000000000, 0.0000000000000000, 0.0085440900000000 ] - [ -0.0005756700000000, 0.0000788200000000, -0.0002964900000000 ] - [ -0.0040655900000000, 0.0000000000000000, 0.0004402600000000 ] - [ -0.0014435300000000, 0.0002494900000000, 0.0002924400000000 ] - [ -0.0015858500000000, 0.0000000000000000, -0.0018295700000000 ] - [ -0.0085621600000000, 0.0050140200000000, -0.0004519900000000 ] - [ 0.0001294200000000, 0.0000000000000000, -0.0007663400000000 ] - [ 0.0014302000000000, -0.0009176000000000, -0.0020662600000000 ] - [ -0.0010888100000000, 0.0000000000000000, -0.0011896600000000 ] - [ -0.0070258500000000, -0.0045058700000000, -0.0008643000000000 ] - [ -0.0004261900000000, 0.0000000000000000, 0.0004224900000000 ] - [ -0.0000627100000000, 0.0000481300000000, -0.0001579000000000 ] - [ -0.0009243800000000, 0.0000000000000000, -0.0018165500000000 ] - [ -0.0005121300000000, -0.0000797800000000, -0.0002085000000000 ] - [ 0.0001097000000000, 0.0000000000000000, -0.0000063300000000 ] - [ 0.0000175500000000, 0.0000383200000000, 0.0001628100000000 ] - [ -0.0002178600000000, 0.0000000000000000, 0.0001356100000000 ] - [ -0.0005121300000000, 0.0000797800000000, -0.0002085000000000 ] - [ 0.0000313700000000, 0.0000000000000000, 0.0000192200000000 ] - [ 0.0000288200000000, 0.0000126600000000, 0.0000461200000000 ] - [ -0.0000913700000000, 0.0000000000000000, 0.0000124100000000 ] - [ 0.0001524000000000, 0.0000659100000000, 0.0000202600000000 ] - [ -0.0000006900000000, 0.0000000000000000, 0.0002253000000000 ] - [ 0.0000288200000000, -0.0000126600000000, 0.0000461200000000 ] - [ 0.0001369900000000, 0.0000000000000000, 0.0000228100000000 ] - [ 0.0000822700000000, -0.0000539300000000, 0.0000291300000000 ] - [ -0.0000268600000000, 0.0000000000000000, 0.0001237500000000 ] - [ 0.0000281500000000, 0.0000000000000000, 0.0000424200000000 ] - [ 0.0000831300000000, 0.0000286000000000, 0.0000599800000000 ] - [ 0.0000831300000000, -0.0000286000000000, 0.0000599800000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000327400000000, -0.0000045100000000, -0.0000773800000000 ] - [ -0.0000773600000000, 0.0000180600000000, -0.0000168600000000 ] - [ -0.0001004100000000, 0.0079198000000000, -0.0000268000000000 ] - [ -0.0000942000000000, 0.0023918900000000, 0.0000454800000000 ] - [ -0.0000041900000000, -0.0012977100000000, -0.0000141300000000 ] - [ 0.0000478200000000, -0.0038022200000000, 0.0000099200000000 ] - [ 0.0000219000000000, -0.0000104900000000, 0.0000186900000000 ] - [ 0.0000021000000000, -0.0000437100000000, -0.0000304400000000 ] - [ -0.0000247500000000, 0.0000004400000000, -0.0000382700000000 ] - [ 0.0001222000000000, -0.0000001700000000, -0.0000218100000000 ] - [ 0.0000327500000000, -0.0000031800000000, -0.0000775100000000 ] - [ -0.0000771400000000, 0.0001070600000000, -0.0000163500000000 ] - [ -0.0000567900000000, -0.0022940000000000, -0.0000100400000000 ] - [ -0.0000993900000000, -0.0000687400000000, 0.0000431900000000 ] - [ -0.0000057100000000, 0.0000253000000000, -0.0000137800000000 ] - [ 0.0000415900000000, 0.0012056600000000, 0.0000007100000000 ] - [ 0.0000219700000000, -0.0000045300000000, 0.0000186900000000 ] - [ 0.0000013500000000, -0.0000209800000000, -0.0000300700000000 ] - [ -0.0000246600000000, 0.0000008300000000, -0.0000381600000000 ] - [ 0.0001222600000000, -0.0000004600000000, -0.0000219200000000 ] - [ 0.0000596200000000, -0.0000263100000000, -0.0000170700000000 ] - [ 0.0000815300000000, 0.0000227900000000, -0.0000053000000000 ] - [ -0.0000968800000000, -0.0001545600000000, -0.0002706900000000 ] - [ -0.0001553400000000, -0.0058874300000000, 0.0000584400000000 ] - [ 0.0001343100000000, 0.0001449500000000, 0.0002442300000000 ] - [ -0.0009616100000000, 0.0001130100000000, -0.0008402500000000 ] - [ -0.0000008000000000, 0.0001509000000000, 0.0000189200000000 ] - [ -0.0000517700000000, 0.0065872200000000, 0.0002510400000000 ] - [ -0.0153138000000000, 0.0274733500000000, 0.0167847900000000 ] - [ 0.0000519500000000, 0.0000146400000000, -0.0000637600000000 ] - [ -0.0001691900000000, -0.0003508900000000, 0.0000036600000000 ] - [ 0.0013000100000000, 0.0001183200000000, 0.0009132100000000 ] - [ -0.0000052600000000, 0.0001113900000000, 0.0000307300000000 ] - [ -0.0001033400000000, -0.0063204700000000, 0.0000438500000000 ] - [ 0.0001405100000000, -0.0000140400000000, -0.0000139700000000 ] - [ -0.0000407400000000, -0.0000007700000000, -0.0000072000000000 ] - [ 0.0001310500000000, 0.0000140600000000, -0.0000235800000000 ] - [ 0.0000243300000000, 0.0000133000000000, -0.0000431500000000 ] - [ 0.0000267800000000, -0.0000132900000000, -0.0000414700000000 ] - [ 0.0000475100000000, 0.0000020000000000, -0.0000116600000000 ] - [ 0.0000593300000000, -0.0000363500000000, -0.0000172800000000 ] - [ 0.0000813500000000, 0.0000134200000000, -0.0000052500000000 ] - [ 0.0000112500000000, -0.0001521200000000, -0.0000014300000000 ] - [ -0.0001656500000000, -0.0000461800000000, 0.0000616700000000 ] - [ 0.0000241500000000, 0.0001480000000000, -0.0000240300000000 ] - [ 0.0143000900000000, 0.0263987400000000, -0.0156746700000000 ] - [ 0.0000005900000000, 0.0000086800000000, 0.0000218200000000 ] - [ -0.0000443800000000, -0.0003835400000000, 0.0000296000000000 ] - [ 0.0008911600000000, -0.0000643900000000, 0.0008147400000000 ] - [ 0.0000515500000000, 0.0000779900000000, -0.0000631500000000 ] - [ -0.0001705900000000, 0.0002970100000000, 0.0000036000000000 ] - [ 0.0000541900000000, 0.0000120900000000, -0.0000539100000000 ] - [ -0.0012607400000000, 0.0002025400000000, -0.0009342100000000 ] - [ -0.0000651600000000, 0.0048968900000000, 0.0000328200000000 ] - [ 0.0001465400000000, -0.0000134900000000, -0.0000110100000000 ] - [ -0.0000407800000000, 0.0000003100000000, -0.0000070700000000 ] - [ 0.0001251800000000, 0.0000147500000000, -0.0000260800000000 ] - [ 0.0000234900000000, 0.0000130500000000, -0.0000442700000000 ] - [ 0.0000259600000000, -0.0000130900000000, -0.0000424400000000 ] - [ 0.0000471600000000, 0.0000014300000000, -0.0000117100000000 ] - [ -0.0000571600000000, 0.0001459700000000, -0.0000622200000000 ] - [ -0.0001000800000000, 0.0007008400000000, 0.0001452200000000 ] - [ -0.0000437800000000, -0.0001391800000000, 0.0000184400000000 ] - [ -0.0000289600000000, 0.0000030900000000, -0.0000103500000000 ] - [ -0.0000754500000000, 0.0000199300000000, -0.0000377800000000 ] - [ -0.0043043000000000, 0.0036375800000000, -0.0085622900000000 ] - [ 0.0000730400000000, 0.0000006500000000, -0.0001195500000000 ] - [ 0.0002689300000000, -0.0000401700000000, -0.0002910700000000 ] - [ 0.0008689400000000, -0.0957485100000000, -0.0012771400000000 ] - [ 0.0042173200000000, 0.0036327200000000, 0.0087164500000000 ] - [ -0.0000448700000000, 0.0009783600000000, 0.0000110200000000 ] - [ -0.0003848400000000, -0.0000405700000000, 0.0002657300000000 ] - [ -0.0000244700000000, 0.0230298500000000, -0.0000484300000000 ] - [ -0.0019056400000000, 0.0019702200000000, -0.0037535700000000 ] - [ -0.0000126700000000, 0.0018297700000000, -0.0000587400000000 ] - [ -0.0068298300000000, 0.0022164100000000, -0.0012572100000000 ] - [ 0.0000613000000000, 0.0000218900000000, 0.0000154600000000 ] - [ 0.0000246000000000, 0.0000296000000000, -0.0003138300000000 ] - [ -0.0000351400000000, -0.0014956900000000, 0.0000434100000000 ] - [ 0.0051731800000000, 0.0016345800000000, 0.0000801700000000 ] - [ -0.0000822300000000, -0.0004402700000000, 0.0000181000000000 ] - [ -0.0000210200000000, 0.0000122200000000, -0.0000446700000000 ] - [ -0.0000753200000000, 0.0004049100000000, -0.0000869900000000 ] - [ 0.0002229300000000, -0.0000050900000000, -0.0000042000000000 ] - [ 0.0001297500000000, 0.0000016200000000, -0.0000313300000000 ] - [ -0.0000069100000000, 0.0000005500000000, -0.0000027800000000 ] - [ 0.0000102500000000, -0.0000047500000000, 0.0000407600000000 ] - [ -0.0001504500000000, -0.0000016700000000, 0.0002100200000000 ] - [ 0.0000431000000000, -0.0000014400000000, 0.0000105400000000 ] - [ 0.0000191500000000, 0.0000160600000000, 0.0000002600000000 ] - [ 0.0000264100000000, 0.0000005700000000, 0.0000198000000000 ] - [ 0.0001107300000000, 0.0000555200000000, -0.0000224100000000 ] - [ -0.0000180300000000, 0.0000057200000000, 0.0001246700000000 ] - [ 0.0000193200000000, -0.0000162200000000, 0.0000017400000000 ] - [ 0.0001610800000000, 0.0000000800000000, -0.0000400600000000 ] - [ 0.0001088500000000, -0.0000560100000000, -0.0000208100000000 ] - [ -0.0000109500000000, -0.0000023700000000, 0.0001118300000000 ] - [ 0.0000196800000000, -0.0000005400000000, -0.0000082100000000 ] - [ 0.0000512100000000, 0.0000256100000000, 0.0000264100000000 ] - [ 0.0000476000000000, -0.0000253000000000, 0.0000304300000000 ] - [ -0.0000069400000000, 0.0001327600000000, -0.0000291800000000 ] - [ -0.0000984500000000, 0.0000200800000000, 0.0001427200000000 ] - [ 0.0000065800000000, -0.0001256800000000, 0.0000522500000000 ] - [ -0.0000284000000000, -0.0000055500000000, -0.0000104400000000 ] - [ -0.0000755000000000, -0.0006708600000000, -0.0000365900000000 ] - [ -0.0002465900000000, -0.0000378500000000, 0.0003523500000000 ] - [ 0.0000732800000000, 0.0000052200000000, -0.0001192100000000 ] - [ -0.0000657100000000, -0.0000142800000000, 0.0000048300000000 ] - [ -0.0001521400000000, 0.0012096900000000, 0.0000783300000000 ] - [ 0.0001240900000000, -0.0000157300000000, -0.0002599500000000 ] - [ -0.0000371200000000, -0.0052047700000000, 0.0000036600000000 ] - [ -0.0000475300000000, -0.0000133600000000, -0.0000283600000000 ] - [ -0.0000303200000000, -0.0010987600000000, -0.0000308800000000 ] - [ -0.0000464400000000, -0.0000925500000000, 0.0001747200000000 ] - [ -0.0000228700000000, -0.0008476800000000, -0.0000485100000000 ] - [ -0.0051279400000000, 0.0018754800000000, -0.0000458600000000 ] - [ 0.0000641000000000, 0.0007090100000000, 0.0000133900000000 ] - [ 0.0018853400000000, 0.0021090000000000, 0.0035991300000000 ] - [ -0.0000174900000000, 0.0009604000000000, 0.0000243100000000 ] - [ 0.0067763300000000, 0.0020009700000000, 0.0012704100000000 ] - [ -0.0000829900000000, 0.0000183600000000, 0.0000178800000000 ] - [ -0.0000459600000000, 0.0000244700000000, -0.0000651500000000 ] - [ -0.0000784600000000, -0.0007609800000000, -0.0000824000000000 ] - [ 0.0000063000000000, -0.0000064000000000, 0.0000844500000000 ] - [ 0.0001297700000000, 0.0000061700000000, -0.0000313600000000 ] - [ -0.0000321100000000, -0.0000116000000000, -0.0000228500000000 ] - [ 0.0000097500000000, 0.0000053300000000, 0.0000406900000000 ] - [ 0.0000658700000000, -0.0000052500000000, 0.0001192600000000 ] - [ 0.0000433300000000, -0.0000045100000000, 0.0000103800000000 ] - [ 0.0000192200000000, 0.0000161300000000, 0.0000002200000000 ] - [ 0.0000264600000000, -0.0000055800000000, 0.0000192600000000 ] - [ 0.0001119300000000, 0.0000557700000000, -0.0000222300000000 ] - [ -0.0000180300000000, 0.0000015200000000, 0.0001246300000000 ] - [ 0.0000191500000000, -0.0000162300000000, 0.0000017100000000 ] - [ 0.0001610600000000, 0.0000003100000000, -0.0000400300000000 ] - [ 0.0001100900000000, -0.0000561300000000, -0.0000207400000000 ] - [ -0.0000109800000000, -0.0000054300000000, 0.0001119400000000 ] - [ 0.0000196500000000, -0.0000003700000000, -0.0000081100000000 ] - [ 0.0000514900000000, 0.0000255200000000, 0.0000254900000000 ] - [ 0.0000472600000000, -0.0000254000000000, 0.0000313900000000 ]- atom: 69 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0001188500000000, 0.0000000000000000, -0.0014011200000000 ] - [ -0.0008432900000000, 0.0000000000000000, -0.0010427100000000 ] - [ 0.0080872200000000, 0.0000000000000000, 0.0169828700000000 ] - [ 0.0003839800000000, 0.0000000000000000, -0.0038822100000000 ] - [ 0.0032400600000000, 0.0000000000000000, -0.0023614300000000 ] - [ -0.0019762800000000, 0.0000000000000000, 0.0068547600000000 ] - [ 0.0000189500000000, 0.0000000000000000, -0.0012354100000000 ] - [ 0.0005019900000000, 0.0000000000000000, -0.0013677300000000 ] - [ -0.0000782700000000, 0.0000000000000000, -0.0012063500000000 ] - [ 0.0000931700000000, 0.0000000000000000, -0.0014063900000000 ] - [ 0.0000330500000000, 0.0000000000000000, -0.0011851800000000 ] - [ 0.0004042800000000, 0.0000000000000000, -0.0014516700000000 ] - [ 0.0004587500000000, 0.0000000000000000, 0.0031992600000000 ] - [ -0.0003748800000000, 0.0000000000000000, 0.0000504900000000 ] - [ -0.0000943300000000, 0.0000000000000000, 0.0003547000000000 ] - [ 0.0019860700000000, 0.0000000000000000, 0.0046437400000000 ] - [ 0.0000831100000000, 0.0000000000000000, -0.0010779200000000 ] - [ -0.0006050400000000, 0.0000000000000000, -0.0011642900000000 ] - [ -0.0000261600000000, 0.0000000000000000, -0.0012512700000000 ] - [ 0.0000621500000000, 0.0000000000000000, -0.0013609400000000 ] - [ 0.0004304300000000, 0.0000000000000000, -0.0019216600000000 ] - [ -0.0000684200000000, 0.0000000000000000, -0.0022597900000000 ] - [ 0.0000498800000000, 0.0002146500000000, -0.0026382000000000 ] - [ -0.0054616600000000, 0.0000000000000000, -0.0008616500000000 ] - [ 0.0000498800000000, -0.0002146500000000, -0.0026382000000000 ] - [ -0.0008449300000000, 0.0002105600000000, 0.0044580300000000 ] - [ 0.0003557000000000, 0.0000000000000000, -0.0032108800000000 ] - [ 0.0067055200000000, 0.0000000000000000, 0.0826103100000000 ] - [ -0.0065549400000000, 0.0145099700000000, 0.0240399400000000 ] - [ 0.0002245500000000, 0.0000000000000000, -0.0018504700000000 ] - [ 0.0015861000000000, 0.0000000000000000, -0.0008731900000000 ] - [ -0.0049750700000000, -0.0006422000000000, -0.0016831000000000 ] - [ 0.0023781700000000, 0.0028569500000000, -0.0010681300000000 ] - [ 0.0008244500000000, 0.0000000000000000, 0.0071325400000000 ] - [ 0.0002368200000000, 0.0000406100000000, -0.0019415600000000 ] - [ 0.0000160100000000, 0.0000000000000000, -0.0019786200000000 ] - [ 0.0002368200000000, -0.0000406100000000, -0.0019415600000000 ] - [ 0.0000066200000000, 0.0001080100000000, -0.0018715700000000 ] - [ -0.0000437000000000, -0.0001104200000000, -0.0019437100000000 ] - [ 0.0001374100000000, 0.0000000000000000, -0.0019160000000000 ] - [ -0.0001911100000000, 0.0000000000000000, -0.0018326000000000 ] - [ 0.0000718700000000, 0.0000000000000000, -0.0019843400000000 ] - [ 0.0001354100000000, 0.0000324100000000, -0.0013278600000000 ] - [ 0.0050639200000000, 0.0000000000000000, 0.0001763900000000 ] - [ 0.0001354100000000, -0.0000324100000000, -0.0013278600000000 ] - [ -0.0065549400000000, -0.0145099700000000, 0.0240399400000000 ] - [ -0.0002287800000000, 0.0000000000000000, -0.0011205400000000 ] - [ -0.0009451200000000, 0.0000000000000000, 0.0043331700000000 ] - [ -0.0008449300000000, -0.0002105600000000, 0.0044580300000000 ] - [ -0.0000201100000000, 0.0000000000000000, -0.0027831200000000 ] - [ -0.0016951100000000, 0.0000000000000000, -0.0002277900000000 ] - [ 0.0023781700000000, -0.0028569500000000, -0.0010681300000000 ] - [ -0.0049750700000000, 0.0006422000000000, -0.0016831000000000 ] - [ -0.0027749300000000, 0.0000000000000000, 0.0055997500000000 ] - [ -0.0001210600000000, 0.0000069400000000, -0.0017804100000000 ] - [ 0.0000127700000000, 0.0000000000000000, -0.0020061700000000 ] - [ -0.0001210600000000, -0.0000069400000000, -0.0017804100000000 ] - [ -0.0000437000000000, 0.0001104200000000, -0.0019437100000000 ] - [ 0.0000066200000000, -0.0001080100000000, -0.0018715700000000 ] - [ 0.0000723500000000, 0.0000000000000000, -0.0020116000000000 ] - [ 0.0003910400000000, -0.0000214800000000, 0.0014138300000000 ] - [ 0.0006394400000000, 0.0000000000000000, 0.0037546500000000 ] - [ -0.0001155700000000, -0.0000951000000000, 0.0011306900000000 ] - [ -0.0003274800000000, 0.0000000000000000, 0.0015763200000000 ] - [ -0.0006088900000000, 0.0000000000000000, 0.0003552600000000 ] - [ 0.0058763000000000, -0.0093453400000000, 0.0100131500000000 ] - [ -0.0000297100000000, 0.0000000000000000, 0.0013074100000000 ] - [ -0.0005366700000000, -0.0002373800000000, 0.0015833600000000 ] - [ -0.0021345000000000, 0.0000000000000000, -0.1739826300000000 ] - [ 0.0058763000000000, 0.0093453400000000, 0.0100131500000000 ] - [ 0.0029179800000000, 0.0000000000000000, -0.0021866200000000 ] - [ -0.0005366700000000, 0.0002373800000000, 0.0015833600000000 ] - [ 0.0005706100000000, 0.0000000000000000, -0.0082805800000000 ] - [ 0.0046770300000000, -0.0062525300000000, 0.0058920700000000 ] - [ -0.0016048200000000, 0.0000000000000000, -0.0020101400000000 ] - [ -0.0003589200000000, -0.0008515400000000, -0.0059354400000000 ] - [ -0.0009789100000000, 0.0000000000000000, 0.0015901100000000 ] - [ -0.0009929000000000, -0.0006075100000000, -0.0019124400000000 ] - [ -0.0091349800000000, 0.0000000000000000, 0.0057743400000000 ] - [ 0.0003595500000000, 0.0004132800000000, -0.0048080200000000 ] - [ 0.0006394900000000, 0.0000000000000000, 0.0016533400000000 ] - [ -0.0000558100000000, -0.0001082600000000, 0.0010107000000000 ] - [ -0.0013190300000000, 0.0000000000000000, -0.0028161800000000 ] - [ -0.0006011100000000, -0.0003396600000000, 0.0015103000000000 ] - [ 0.0000133600000000, 0.0000000000000000, 0.0015981900000000 ] - [ 0.0003782600000000, 0.0002152800000000, 0.0012653900000000 ] - [ -0.0003736700000000, 0.0000000000000000, 0.0014380600000000 ] - [ -0.0006011100000000, 0.0003396600000000, 0.0015103000000000 ] - [ -0.0002140300000000, 0.0000000000000000, 0.0011863800000000 ] - [ 0.0001673900000000, -0.0001074800000000, 0.0011441200000000 ] - [ -0.0001055000000000, 0.0000000000000000, 0.0017735000000000 ] - [ 0.0002360300000000, 0.0001567600000000, 0.0010508200000000 ] - [ -0.0000275200000000, 0.0000000000000000, 0.0017127800000000 ] - [ 0.0001673900000000, 0.0001074800000000, 0.0011441200000000 ] - [ -0.0000437200000000, 0.0000000000000000, 0.0011656500000000 ] - [ 0.0002647500000000, -0.0001777400000000, 0.0011574000000000 ] - [ -0.0001108300000000, 0.0000000000000000, 0.0013293800000000 ] - [ -0.0000587300000000, 0.0000000000000000, 0.0015628700000000 ] - [ 0.0001395600000000, 0.0000245000000000, 0.0011558300000000 ] - [ 0.0001395600000000, -0.0000245000000000, 0.0011558300000000 ] - [ -0.0001155700000000, 0.0000951000000000, 0.0011306900000000 ] - [ -0.0010456400000000, 0.0000000000000000, 0.0017198100000000 ] - [ 0.0003910400000000, 0.0000214800000000, 0.0014138300000000 ] - [ -0.0001396400000000, 0.0000000000000000, 0.0010887800000000 ] - [ 0.0006486800000000, 0.0000000000000000, 0.0015795600000000 ] - [ -0.0009801000000000, 0.0006260700000000, -0.0015623500000000 ] - [ 0.0001019700000000, 0.0000000000000000, 0.0008264200000000 ] - [ 0.0002861900000000, 0.0000251300000000, 0.0002611200000000 ] - [ 0.0003802500000000, 0.0000000000000000, -0.0038302100000000 ] - [ -0.0009801000000000, -0.0006260700000000, -0.0015623500000000 ] - [ -0.0114905200000000, 0.0000000000000000, 0.0078689800000000 ] - [ 0.0002861900000000, -0.0000251300000000, 0.0002611200000000 ] - [ 0.0007603700000000, 0.0000000000000000, -0.0027600600000000 ] - [ -0.0009929000000000, 0.0006075100000000, -0.0019124400000000 ] - [ 0.0019716600000000, 0.0000000000000000, -0.0018337700000000 ] - [ 0.0003595500000000, -0.0004132800000000, -0.0048080200000000 ] - [ 0.0011365400000000, 0.0000000000000000, 0.0035536800000000 ] - [ 0.0046770300000000, 0.0062525300000000, 0.0058920700000000 ] - [ 0.0029194600000000, 0.0000000000000000, -0.0021302400000000 ] - [ -0.0003589200000000, 0.0008515400000000, -0.0059354400000000 ] - [ -0.0005392800000000, 0.0000000000000000, 0.0003033800000000 ] - [ 0.0003782600000000, -0.0002152800000000, 0.0012653900000000 ] - [ 0.0017554700000000, 0.0000000000000000, -0.0025060900000000 ] - [ 0.0005583900000000, 0.0000372600000000, 0.0004737800000000 ] - [ 0.0001104400000000, 0.0000000000000000, 0.0016392900000000 ] - [ -0.0000558100000000, 0.0001082600000000, 0.0010107000000000 ] - [ -0.0001571900000000, 0.0000000000000000, 0.0010645600000000 ] - [ 0.0005583900000000, -0.0000372600000000, 0.0004737800000000 ] - [ -0.0000982000000000, 0.0000000000000000, 0.0011758400000000 ] - [ 0.0001589500000000, -0.0001091900000000, 0.0011388600000000 ] - [ 0.0000436900000000, 0.0000000000000000, 0.0012416800000000 ] - [ 0.0002647500000000, 0.0001777400000000, 0.0011574000000000 ] - [ -0.0001219500000000, 0.0000000000000000, 0.0016761400000000 ] - [ 0.0001589500000000, 0.0001091900000000, 0.0011388600000000 ] - [ -0.0000524700000000, 0.0000000000000000, 0.0011153300000000 ] - [ 0.0002360300000000, -0.0001567600000000, 0.0010508200000000 ] - [ -0.0000000700000000, 0.0000000000000000, 0.0013542700000000 ] - [ -0.0000444600000000, 0.0000000000000000, 0.0016346900000000 ] - [ 0.0001620100000000, 0.0000299600000000, 0.0012788600000000 ] - [ 0.0001620100000000, -0.0000299600000000, 0.0012788600000000 ]- atom: 69 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0000558100000000, 0.0000000000000000, 0.0012524800000000 ] - [ 0.0006906900000000, 0.0000000000000000, 0.0010097000000000 ] - [ -0.0073902200000000, 0.0000000000000000, -0.0165837600000000 ] - [ -0.0005739100000000, 0.0000000000000000, 0.0039681700000000 ] - [ -0.0032735100000000, 0.0000000000000000, 0.0023420800000000 ] - [ 0.0020606300000000, 0.0000000000000000, -0.0069368600000000 ] - [ 0.0000248900000000, 0.0000000000000000, 0.0012770300000000 ] - [ -0.0005023000000000, 0.0000000000000000, 0.0013107700000000 ] - [ 0.0000348600000000, 0.0000000000000000, 0.0011351100000000 ] - [ 0.0001508200000000, 0.0000000000000000, 0.0013669300000000 ] - [ 0.0000295500000000, 0.0000000000000000, 0.0010365700000000 ] - [ -0.0005551400000000, 0.0000000000000000, 0.0014202000000000 ] - [ -0.0005909100000000, 0.0000000000000000, -0.0031937500000000 ] - [ 0.0001745100000000, 0.0000000000000000, 0.0000431900000000 ] - [ 0.0000786300000000, 0.0000000000000000, -0.0003909400000000 ] - [ -0.0019216400000000, 0.0000000000000000, -0.0046886500000000 ] - [ -0.0000400400000000, 0.0000000000000000, 0.0011187000000000 ] - [ 0.0006121000000000, 0.0000000000000000, 0.0011056400000000 ] - [ -0.0000168800000000, 0.0000000000000000, 0.0011799800000000 ] - [ 0.0001822300000000, 0.0000000000000000, 0.0013212400000000 ] - [ -0.0003122800000000, 0.0000000000000000, 0.0018950800000000 ] - [ 0.0002316500000000, 0.0000000000000000, 0.0022603700000000 ] - [ -0.0000104100000000, -0.0005111300000000, 0.0026153100000000 ] - [ 0.0051452300000000, 0.0000000000000000, 0.0010012400000000 ] - [ -0.0000104100000000, 0.0005111300000000, 0.0026153100000000 ] - [ 0.0007782000000000, -0.0000291400000000, -0.0044626800000000 ] - [ -0.0003572800000000, 0.0000000000000000, 0.0032710600000000 ] - [ -0.0069464600000000, 0.0000000000000000, -0.0880180900000000 ] - [ 0.0061396700000000, -0.0141700900000000, -0.0238915400000000 ] - [ -0.0001220000000000, 0.0000000000000000, 0.0017296200000000 ] - [ -0.0019216400000000, 0.0000000000000000, 0.0009001300000000 ] - [ 0.0050547800000000, 0.0005649900000000, 0.0016645100000000 ] - [ -0.0023472300000000, -0.0027928000000000, 0.0010458600000000 ] - [ -0.0009282700000000, 0.0000000000000000, -0.0071304100000000 ] - [ 0.0000340600000000, -0.0000685600000000, 0.0019106000000000 ] - [ -0.0000976700000000, 0.0000000000000000, 0.0019712100000000 ] - [ 0.0000340600000000, 0.0000685600000000, 0.0019106000000000 ] - [ 0.0000419500000000, -0.0000844000000000, 0.0017935100000000 ] - [ 0.0000922600000000, 0.0000868300000000, 0.0018654900000000 ] - [ -0.0000427700000000, 0.0000000000000000, 0.0018975700000000 ] - [ 0.0003094600000000, 0.0000000000000000, 0.0018060300000000 ] - [ 0.0000909100000000, 0.0000000000000000, 0.0019855000000000 ] - [ -0.0001000900000000, -0.0003309200000000, 0.0013083500000000 ] - [ -0.0053795200000000, 0.0000000000000000, -0.0000388900000000 ] - [ -0.0001000900000000, 0.0003309200000000, 0.0013083500000000 ] - [ 0.0061396700000000, 0.0141700900000000, -0.0238915400000000 ] - [ 0.0002301300000000, 0.0000000000000000, 0.0011637000000000 ] - [ 0.0008560200000000, 0.0000000000000000, -0.0043127000000000 ] - [ 0.0007782000000000, 0.0000291400000000, -0.0044626800000000 ] - [ 0.0001251500000000, 0.0000000000000000, 0.0026662900000000 ] - [ 0.0013533000000000, 0.0000000000000000, 0.0002446900000000 ] - [ -0.0023472300000000, 0.0027928000000000, 0.0010458600000000 ] - [ 0.0050547800000000, -0.0005649900000000, 0.0016645100000000 ] - [ 0.0026353500000000, 0.0000000000000000, -0.0055955800000000 ] - [ 0.0003941500000000, -0.0000347500000000, 0.0017479200000000 ] - [ -0.0000942600000000, 0.0000000000000000, 0.0019987200000000 ] - [ 0.0003941500000000, 0.0000347500000000, 0.0017479200000000 ] - [ 0.0000922600000000, -0.0000868300000000, 0.0018654900000000 ] - [ 0.0000419500000000, 0.0000844000000000, 0.0017935100000000 ] - [ 0.0000223800000000, 0.0000000000000000, 0.0019934400000000 ] - [ -0.0004421400000000, 0.0002917900000000, -0.0014258300000000 ] - [ -0.0008385600000000, 0.0000000000000000, -0.0034554000000000 ] - [ 0.0000638200000000, -0.0001760500000000, -0.0011443200000000 ] - [ 0.0002697500000000, 0.0000000000000000, -0.0016007200000000 ] - [ 0.0004614000000000, 0.0000000000000000, -0.0004395600000000 ] - [ -0.0059392500000000, 0.0092060500000000, -0.0098151900000000 ] - [ 0.0001759100000000, 0.0000000000000000, -0.0015499300000000 ] - [ 0.0004178900000000, 0.0002352800000000, -0.0016152200000000 ] - [ 0.0018034900000000, 0.0000000000000000, 0.1787912900000000 ] - [ -0.0059392500000000, -0.0092060500000000, -0.0098151900000000 ] - [ -0.0029984900000000, 0.0000000000000000, 0.0021966500000000 ] - [ 0.0004178900000000, -0.0002352800000000, -0.0016152200000000 ] - [ -0.0006446600000000, 0.0000000000000000, 0.0082538900000000 ] - [ -0.0047683800000000, 0.0062401400000000, -0.0061199400000000 ] - [ 0.0015723300000000, 0.0000000000000000, 0.0018785000000000 ] - [ 0.0004329000000000, 0.0010550500000000, 0.0060051400000000 ] - [ 0.0011126900000000, 0.0000000000000000, -0.0015722000000000 ] - [ 0.0009829200000000, 0.0007401100000000, 0.0017928200000000 ] - [ 0.0092299600000000, 0.0000000000000000, -0.0058011100000000 ] - [ -0.0003886900000000, -0.0006514400000000, 0.0048520600000000 ] - [ -0.0008117800000000, 0.0000000000000000, -0.0016232200000000 ] - [ 0.0000032800000000, 0.0001317600000000, -0.0010816300000000 ] - [ 0.0011687900000000, 0.0000000000000000, 0.0026857300000000 ] - [ 0.0006781400000000, 0.0003399600000000, -0.0013111300000000 ] - [ 0.0002469900000000, 0.0000000000000000, -0.0016660000000000 ] - [ -0.0004335500000000, -0.0002395100000000, -0.0013378300000000 ] - [ 0.0003950500000000, 0.0000000000000000, -0.0013616000000000 ] - [ 0.0006781400000000, -0.0003399600000000, -0.0013111300000000 ] - [ 0.0003023500000000, 0.0000000000000000, -0.0011692300000000 ] - [ -0.0001303100000000, 0.0001382500000000, -0.0011456100000000 ] - [ 0.0001589200000000, 0.0000000000000000, -0.0017398800000000 ] - [ -0.0000154600000000, -0.0000471900000000, -0.0010969800000000 ] - [ -0.0000099000000000, 0.0000000000000000, -0.0014669800000000 ] - [ -0.0001303100000000, -0.0001382500000000, -0.0011456100000000 ] - [ 0.0003669100000000, 0.0000000000000000, -0.0012496600000000 ] - [ -0.0000448300000000, 0.0000682500000000, -0.0012043300000000 ] - [ 0.0000885200000000, 0.0000000000000000, -0.0011082300000000 ] - [ 0.0000989100000000, 0.0000000000000000, -0.0015851400000000 ] - [ -0.0000386500000000, 0.0000255800000000, -0.0011019600000000 ] - [ -0.0000386500000000, -0.0000255800000000, -0.0011019600000000 ] - [ 0.0000638200000000, 0.0001760500000000, -0.0011443200000000 ] - [ 0.0008436500000000, 0.0000000000000000, -0.0014348100000000 ] - [ -0.0004421400000000, -0.0002917900000000, -0.0014258300000000 ] - [ 0.0000839400000000, 0.0000000000000000, -0.0011138800000000 ] - [ -0.0007992300000000, 0.0000000000000000, -0.0016615200000000 ] - [ 0.0008574100000000, -0.0006468700000000, 0.0016438600000000 ] - [ 0.0000455500000000, 0.0000000000000000, -0.0010683400000000 ] - [ -0.0004001300000000, -0.0000275700000000, -0.0002906300000000 ] - [ -0.0006781200000000, 0.0000000000000000, 0.0039973900000000 ] - [ 0.0008574100000000, 0.0006468700000000, 0.0016438600000000 ] - [ 0.0112879400000000, 0.0000000000000000, -0.0077884900000000 ] - [ -0.0004001300000000, 0.0000275700000000, -0.0002906300000000 ] - [ -0.0008149300000000, 0.0000000000000000, 0.0027036600000000 ] - [ 0.0009829200000000, -0.0007401100000000, 0.0017928200000000 ] - [ -0.0020152400000000, 0.0000000000000000, 0.0017257200000000 ] - [ -0.0003886900000000, 0.0006514400000000, 0.0048520600000000 ] - [ -0.0010168700000000, 0.0000000000000000, -0.0035478500000000 ] - [ -0.0047683800000000, -0.0062401400000000, -0.0061199400000000 ] - [ -0.0029779500000000, 0.0000000000000000, 0.0022085300000000 ] - [ 0.0004329000000000, -0.0010550500000000, 0.0060051400000000 ] - [ 0.0003753800000000, 0.0000000000000000, -0.0002625400000000 ] - [ -0.0004335500000000, 0.0002395100000000, -0.0013378300000000 ] - [ -0.0019253200000000, 0.0000000000000000, 0.0023781600000000 ] - [ -0.0004875000000000, -0.0000399600000000, -0.0002658700000000 ] - [ 0.0001493300000000, 0.0000000000000000, -0.0017071600000000 ] - [ 0.0000032800000000, -0.0001317600000000, -0.0010816300000000 ] - [ 0.0001772800000000, 0.0000000000000000, -0.0009857100000000 ] - [ -0.0004875000000000, 0.0000399600000000, -0.0002658700000000 ] - [ 0.0001856600000000, 0.0000000000000000, -0.0011584400000000 ] - [ -0.0001220500000000, 0.0001399900000000, -0.0011403300000000 ] - [ 0.0000090000000000, 0.0000000000000000, -0.0012039600000000 ] - [ -0.0000448300000000, -0.0000682500000000, -0.0012043300000000 ] - [ 0.0000843300000000, 0.0000000000000000, -0.0014306800000000 ] - [ -0.0001220500000000, -0.0001399900000000, -0.0011403300000000 ] - [ 0.0003756900000000, 0.0000000000000000, -0.0011992900000000 ] - [ -0.0000154600000000, 0.0000471900000000, -0.0010969800000000 ] - [ -0.0000220500000000, 0.0000000000000000, -0.0011328500000000 ] - [ 0.0000846000000000, 0.0000000000000000, -0.0016571500000000 ] - [ -0.0000613600000000, 0.0000200200000000, -0.0012248200000000 ] - [ -0.0000613600000000, -0.0000200200000000, -0.0012248200000000 ]- atom: 71 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0001800300000000, 0.0000000000000000, 0.0003173200000000 ] - [ 0.0030475900000000, 0.0000000000000000, 0.0001231700000000 ] - [ 0.0031049300000000, 0.0000000000000000, -0.0030605700000000 ] - [ -0.0028836400000000, 0.0000000000000000, 0.0034134600000000 ] - [ -0.0000985000000000, 0.0000000000000000, -0.0001794200000000 ] - [ -0.0015289300000000, 0.0000000000000000, -0.0002334000000000 ] - [ -0.0000034500000000, 0.0000000000000000, 0.0001752400000000 ] - [ 0.0001014800000000, 0.0000000000000000, 0.0000778900000000 ] - [ 0.0001303800000000, 0.0000000000000000, 0.0000359800000000 ] - [ 0.0001511700000000, 0.0000000000000000, 0.0001678000000000 ] - [ 0.0002285100000000, 0.0000000000000000, -0.0003022800000000 ] - [ -0.0017233900000000, 0.0000000000000000, 0.0000916000000000 ] - [ -0.0050333600000000, 0.0000000000000000, 0.0018520900000000 ] - [ 0.0184504400000000, 0.0000000000000000, 0.0054111200000000 ] - [ -0.0001212500000000, 0.0000000000000000, 0.0004243800000000 ] - [ 0.0020131000000000, 0.0000000000000000, -0.0004918300000000 ] - [ 0.0000465100000000, 0.0000000000000000, 0.0001750600000000 ] - [ -0.0000868300000000, 0.0000000000000000, 0.0002000900000000 ] - [ -0.0001355100000000, 0.0000000000000000, 0.0002090100000000 ] - [ 0.0001049000000000, 0.0000000000000000, 0.0001536800000000 ] - [ -0.0012494900000000, 0.0000000000000000, 0.0001669200000000 ] - [ 0.0003388400000000, 0.0000000000000000, 0.0009392200000000 ] - [ -0.0011177900000000, -0.0024498700000000, 0.0023230900000000 ] - [ 0.0768643700000000, 0.0000000000000000, -0.0197834700000000 ] - [ -0.0011177900000000, 0.0024498700000000, 0.0023230900000000 ] - [ 0.0161031500000000, -0.0097251800000000, -0.0082320200000000 ] - [ -0.0000876800000000, 0.0000000000000000, 0.0001153400000000 ] - [ -0.0003894900000000, 0.0000000000000000, -0.0014787900000000 ] - [ -0.0066162200000000, -0.0001632600000000, -0.0031142300000000 ] - [ 0.0001049300000000, 0.0000000000000000, 0.0002461500000000 ] - [ -0.0047954100000000, 0.0000000000000000, -0.0000203500000000 ] - [ -0.0006431500000000, 0.0002131800000000, 0.0004139000000000 ] - [ 0.0008477800000000, 0.0000093000000000, -0.0000206700000000 ] - [ 0.0001617300000000, 0.0000000000000000, -0.0041158000000000 ] - [ 0.0001769300000000, -0.0000182200000000, 0.0002021800000000 ] - [ 0.0000270200000000, 0.0000000000000000, 0.0002220400000000 ] - [ 0.0001769300000000, 0.0000182200000000, 0.0002021800000000 ] - [ -0.0000896400000000, -0.0000406300000000, 0.0000855300000000 ] - [ 0.0001231700000000, 0.0000098500000000, 0.0003250500000000 ] - [ 0.0000556400000000, 0.0000000000000000, 0.0002001600000000 ] - [ 0.0012730600000000, 0.0000000000000000, -0.0000191900000000 ] - [ -0.0001206600000000, 0.0000000000000000, -0.0002817300000000 ] - [ -0.0001809600000000, 0.0000314100000000, -0.0019551900000000 ] - [ -0.0062308700000000, 0.0000000000000000, -0.0037326800000000 ] - [ -0.0001809600000000, -0.0000314100000000, -0.0019551900000000 ] - [ -0.0066162200000000, 0.0001632600000000, -0.0031142300000000 ] - [ 0.0000686900000000, 0.0000000000000000, 0.0004553500000000 ] - [ 0.0008453400000000, 0.0000000000000000, 0.0045308600000000 ] - [ 0.0161031500000000, 0.0097251800000000, -0.0082320200000000 ] - [ -0.0000063100000000, 0.0000000000000000, 0.0001966900000000 ] - [ 0.0047269300000000, 0.0000000000000000, -0.0003527100000000 ] - [ 0.0008477800000000, -0.0000093000000000, -0.0000206700000000 ] - [ -0.0006431500000000, -0.0002131800000000, 0.0004139000000000 ] - [ -0.0017835200000000, 0.0000000000000000, 0.0014675500000000 ] - [ 0.0001100300000000, -0.0000279800000000, 0.0002509000000000 ] - [ -0.0001154200000000, 0.0000000000000000, 0.0002873200000000 ] - [ 0.0001100300000000, 0.0000279800000000, 0.0002509000000000 ] - [ 0.0001231700000000, -0.0000098500000000, 0.0003250500000000 ] - [ -0.0000896400000000, 0.0000406300000000, 0.0000855300000000 ] - [ 0.0000151400000000, 0.0000000000000000, 0.0002787200000000 ] - [ -0.0011377000000000, 0.0006786700000000, -0.0008724500000000 ] - [ 0.0023182000000000, 0.0000000000000000, -0.0090644800000000 ] - [ 0.0007356600000000, 0.0000543100000000, 0.0004372200000000 ] - [ 0.0011733700000000, 0.0000000000000000, -0.0015177700000000 ] - [ 0.0018147400000000, 0.0000000000000000, 0.0017541500000000 ] - [ 0.0090743300000000, -0.0065105400000000, 0.0021328600000000 ] - [ 0.0004132600000000, 0.0000000000000000, -0.0006116200000000 ] - [ 0.0018930400000000, -0.0001600400000000, -0.0005509500000000 ] - [ 0.0009449300000000, 0.0000000000000000, 0.0028913200000000 ] - [ 0.0090743300000000, 0.0065105400000000, 0.0021328600000000 ] - [ -0.1600616200000000, 0.0000000000000000, 0.0367169600000000 ] - [ 0.0018930400000000, 0.0001600400000000, -0.0005509500000000 ] - [ 0.0011234900000000, 0.0000000000000000, 0.0017072500000000 ] - [ 0.0006192000000000, -0.0002374800000000, 0.0003573000000000 ] - [ 0.0040050300000000, 0.0000000000000000, 0.0001470700000000 ] - [ 0.0023288500000000, 0.0000792300000000, -0.0002582100000000 ] - [ -0.0001462900000000, 0.0000000000000000, -0.0003462800000000 ] - [ -0.0010050900000000, -0.0004888700000000, -0.0008650800000000 ] - [ -0.0005161300000000, 0.0000000000000000, 0.0007247800000000 ] - [ -0.0032913600000000, 0.0014847100000000, 0.0024191100000000 ] - [ 0.0001180800000000, 0.0000000000000000, -0.0000883900000000 ] - [ -0.0000924500000000, 0.0000436800000000, -0.0001875200000000 ] - [ -0.0003941700000000, 0.0000000000000000, 0.0006900500000000 ] - [ 0.0000312200000000, 0.0000098700000000, 0.0001447400000000 ] - [ 0.0001228300000000, 0.0000000000000000, -0.0002417000000000 ] - [ -0.0000115000000000, -0.0000319300000000, -0.0001908500000000 ] - [ 0.0000538600000000, 0.0000000000000000, -0.0000850100000000 ] - [ 0.0000312200000000, -0.0000098700000000, 0.0001447400000000 ] - [ 0.0000357200000000, 0.0000000000000000, -0.0001317600000000 ] - [ -0.0000620400000000, 0.0000430900000000, -0.0001607100000000 ] - [ 0.0000368200000000, 0.0000000000000000, -0.0001318500000000 ] - [ 0.0000957000000000, 0.0000492100000000, -0.0001658800000000 ] - [ -0.0002073500000000, 0.0000000000000000, -0.0001940800000000 ] - [ -0.0000620400000000, -0.0000430900000000, -0.0001607100000000 ] - [ 0.0001896800000000, 0.0000000000000000, -0.0002522100000000 ] - [ 0.0000943900000000, -0.0000480500000000, -0.0001739600000000 ] - [ 0.0001873300000000, 0.0000000000000000, 0.0000532300000000 ] - [ 0.0000294700000000, 0.0000000000000000, -0.0001413300000000 ] - [ 0.0000475600000000, 0.0000205200000000, 0.0001128300000000 ] - [ 0.0000475600000000, -0.0000205200000000, 0.0001128300000000 ] - [ 0.0007356600000000, -0.0000543100000000, 0.0004372200000000 ] - [ 0.0009439400000000, 0.0000000000000000, 0.0029138400000000 ] - [ -0.0011377000000000, -0.0006786700000000, -0.0008724500000000 ] - [ -0.0004989300000000, 0.0000000000000000, 0.0008590700000000 ] - [ -0.0016092200000000, 0.0000000000000000, -0.0008203100000000 ] - [ 0.0132088700000000, -0.0097456300000000, 0.0015740600000000 ] - [ -0.0001958000000000, 0.0000000000000000, 0.0005781200000000 ] - [ -0.0020725500000000, -0.0013450900000000, 0.0030969700000000 ] - [ 0.0030615000000000, 0.0000000000000000, -0.0119111800000000 ] - [ 0.0132088700000000, 0.0097456300000000, 0.0015740600000000 ] - [ 0.0079682500000000, 0.0000000000000000, -0.0007677400000000 ] - [ -0.0020725500000000, 0.0013450900000000, 0.0030969700000000 ] - [ -0.0009577700000000, 0.0000000000000000, -0.0013434900000000 ] - [ -0.0010050900000000, 0.0004888700000000, -0.0008650800000000 ] - [ -0.0059093800000000, 0.0000000000000000, 0.0014064900000000 ] - [ -0.0032913600000000, -0.0014847100000000, 0.0024191100000000 ] - [ 0.0003068200000000, 0.0000000000000000, -0.0002014500000000 ] - [ 0.0006192000000000, 0.0002374800000000, 0.0003573000000000 ] - [ 0.0012624200000000, 0.0000000000000000, -0.0011948500000000 ] - [ 0.0023288500000000, -0.0000792300000000, -0.0002582100000000 ] - [ -0.0002808700000000, 0.0000000000000000, -0.0001531200000000 ] - [ -0.0000115000000000, 0.0000319300000000, -0.0001908500000000 ] - [ 0.0002614300000000, 0.0000000000000000, -0.0005818000000000 ] - [ 0.0000256900000000, 0.0000101000000000, -0.0001997300000000 ] - [ 0.0001584800000000, 0.0000000000000000, -0.0002555000000000 ] - [ -0.0000924500000000, -0.0000436800000000, -0.0001875200000000 ] - [ 0.0000434500000000, 0.0000000000000000, -0.0001553800000000 ] - [ 0.0000256900000000, -0.0000101000000000, -0.0001997300000000 ] - [ 0.0000924100000000, 0.0000000000000000, -0.0001589000000000 ] - [ 0.0000576200000000, 0.0000379400000000, -0.0001479000000000 ] - [ 0.0000296900000000, 0.0000000000000000, -0.0002463100000000 ] - [ 0.0000943900000000, 0.0000480500000000, -0.0001739600000000 ] - [ 0.0002200300000000, 0.0000000000000000, -0.0000816500000000 ] - [ 0.0000576200000000, -0.0000379400000000, -0.0001479000000000 ] - [ 0.0001983700000000, 0.0000000000000000, -0.0001477100000000 ] - [ 0.0000957000000000, -0.0000492100000000, -0.0001658800000000 ] - [ -0.0002126700000000, 0.0000000000000000, -0.0001083600000000 ] - [ 0.0000221900000000, 0.0000000000000000, -0.0002944700000000 ] - [ 0.0000310200000000, 0.0000526200000000, -0.0003281900000000 ] - [ 0.0000310200000000, -0.0000526200000000, -0.0003281900000000 ]- atom: 71 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0002448100000000, 0.0000000000000000, -0.0004745900000000 ] - [ -0.0032195400000000, 0.0000000000000000, -0.0001488000000000 ] - [ -0.0032776800000000, 0.0000000000000000, 0.0030793200000000 ] - [ 0.0026921500000000, 0.0000000000000000, -0.0033470300000000 ] - [ 0.0000789200000000, 0.0000000000000000, 0.0001477800000000 ] - [ 0.0016022800000000, 0.0000000000000000, 0.0002308800000000 ] - [ 0.0000475000000000, 0.0000000000000000, -0.0001389300000000 ] - [ -0.0000988200000000, 0.0000000000000000, -0.0001416500000000 ] - [ -0.0001769800000000, 0.0000000000000000, -0.0001131600000000 ] - [ 0.0000924500000000, 0.0000000000000000, -0.0002136000000000 ] - [ -0.0001646300000000, 0.0000000000000000, 0.0001491700000000 ] - [ 0.0015752900000000, 0.0000000000000000, -0.0001301200000000 ] - [ 0.0049227700000000, 0.0000000000000000, -0.0018492000000000 ] - [ -0.0175858500000000, 0.0000000000000000, -0.0044117600000000 ] - [ 0.0001100600000000, 0.0000000000000000, -0.0004582300000000 ] - [ -0.0019285800000000, 0.0000000000000000, 0.0004669400000000 ] - [ -0.0000024800000000, 0.0000000000000000, -0.0001389000000000 ] - [ 0.0000904600000000, 0.0000000000000000, -0.0002630800000000 ] - [ 0.0000895800000000, 0.0000000000000000, -0.0002869400000000 ] - [ 0.0001394400000000, 0.0000000000000000, -0.0001996700000000 ] - [ 0.0013775900000000, 0.0000000000000000, -0.0002044800000000 ] - [ -0.0001809200000000, 0.0000000000000000, -0.0009493400000000 ] - [ 0.0011506900000000, 0.0021606600000000, -0.0023605700000000 ] - [ -0.0819016200000000, 0.0000000000000000, 0.0216827300000000 ] - [ 0.0011506900000000, -0.0021606600000000, -0.0023605700000000 ] - [ -0.0162027700000000, 0.0096805700000000, 0.0080367100000000 ] - [ 0.0000827800000000, 0.0000000000000000, -0.0000784100000000 ] - [ 0.0002895000000000, 0.0000000000000000, 0.0015424800000000 ] - [ 0.0065683200000000, -0.0000246200000000, 0.0031315500000000 ] - [ 0.0000013600000000, 0.0000000000000000, -0.0003742200000000 ] - [ 0.0044698600000000, 0.0000000000000000, 0.0000215400000000 ] - [ 0.0006905300000000, -0.0002956500000000, -0.0004374800000000 ] - [ -0.0008023900000000, 0.0000725600000000, -0.0000113900000000 ] - [ -0.0003325700000000, 0.0000000000000000, 0.0041896500000000 ] - [ 0.0000940300000000, -0.0000102600000000, -0.0002418800000000 ] - [ -0.0001043300000000, 0.0000000000000000, -0.0002385100000000 ] - [ 0.0000940300000000, 0.0000102600000000, -0.0002418800000000 ] - [ 0.0001381400000000, 0.0000637700000000, -0.0001729800000000 ] - [ -0.0000764600000000, -0.0000326100000000, -0.0004132300000000 ] - [ 0.0000360600000000, 0.0000000000000000, -0.0002312600000000 ] - [ -0.0011563400000000, 0.0000000000000000, -0.0000131900000000 ] - [ 0.0002849300000000, 0.0000000000000000, 0.0002749700000000 ] - [ 0.0002319400000000, -0.0003322900000000, 0.0019321300000000 ] - [ 0.0059433200000000, 0.0000000000000000, 0.0038486400000000 ] - [ 0.0002319400000000, 0.0003322900000000, 0.0019321300000000 ] - [ 0.0065683200000000, 0.0000246200000000, 0.0031315500000000 ] - [ -0.0000691300000000, 0.0000000000000000, -0.0004189800000000 ] - [ -0.0009232900000000, 0.0000000000000000, -0.0044930100000000 ] - [ -0.0162027700000000, -0.0096805700000000, 0.0080367100000000 ] - [ 0.0001123000000000, 0.0000000000000000, -0.0003233200000000 ] - [ -0.0050993900000000, 0.0000000000000000, 0.0004022000000000 ] - [ -0.0008023900000000, -0.0000725600000000, -0.0000113900000000 ] - [ 0.0006905300000000, 0.0002956500000000, -0.0004374800000000 ] - [ 0.0016735100000000, 0.0000000000000000, -0.0014009600000000 ] - [ 0.0001619000000000, -0.0000007100000000, -0.0002909100000000 ] - [ 0.0000382600000000, 0.0000000000000000, -0.0003036400000000 ] - [ 0.0001619000000000, 0.0000007100000000, -0.0002909100000000 ] - [ -0.0000764600000000, 0.0000326100000000, -0.0004132300000000 ] - [ 0.0001381400000000, -0.0000637700000000, -0.0001729800000000 ] - [ 0.0000751700000000, 0.0000000000000000, -0.0003099000000000 ] - [ 0.0010955300000000, -0.0004166300000000, 0.0008715200000000 ] - [ -0.0025443700000000, 0.0000000000000000, 0.0094612500000000 ] - [ -0.0007888500000000, -0.0003206900000000, -0.0004407700000000 ] - [ -0.0012418600000000, 0.0000000000000000, 0.0015114600000000 ] - [ -0.0019732000000000, 0.0000000000000000, -0.0018265000000000 ] - [ -0.0093152300000000, 0.0066056500000000, -0.0020782300000000 ] - [ -0.0002618500000000, 0.0000000000000000, 0.0003774500000000 ] - [ -0.0020098600000000, 0.0001580000000000, 0.0005327500000000 ] - [ -0.0012377000000000, 0.0000000000000000, -0.0027652200000000 ] - [ -0.0093152300000000, -0.0066056500000000, -0.0020782300000000 ] - [ 0.1636698700000000, 0.0000000000000000, -0.0390570800000000 ] - [ -0.0020098600000000, -0.0001580000000000, 0.0005327500000000 ] - [ -0.0011696500000000, 0.0000000000000000, -0.0017913200000000 ] - [ -0.0006395500000000, 0.0001174300000000, -0.0004981300000000 ] - [ -0.0040620100000000, 0.0000000000000000, -0.0002505800000000 ] - [ -0.0023213200000000, 0.0001426300000000, 0.0002820300000000 ] - [ 0.0002727600000000, 0.0000000000000000, 0.0003789500000000 ] - [ 0.0009811400000000, 0.0006094800000000, 0.0007322700000000 ] - [ 0.0004883300000000, 0.0000000000000000, -0.0006640100000000 ] - [ 0.0033663600000000, -0.0016980100000000, -0.0023539500000000 ] - [ -0.0002874000000000, 0.0000000000000000, 0.0001259600000000 ] - [ 0.0000372200000000, -0.0000153100000000, 0.0001199800000000 ] - [ 0.0002401200000000, 0.0000000000000000, -0.0008402200000000 ] - [ 0.0000448400000000, -0.0000057300000000, 0.0000633100000000 ] - [ 0.0001376900000000, 0.0000000000000000, 0.0001835800000000 ] - [ -0.0000436000000000, 0.0000033700000000, 0.0001223600000000 ] - [ -0.0000304200000000, 0.0000000000000000, 0.0001674900000000 ] - [ 0.0000448400000000, 0.0000057300000000, 0.0000633100000000 ] - [ 0.0000453800000000, 0.0000000000000000, 0.0001546800000000 ] - [ 0.0001011000000000, -0.0000084100000000, 0.0001618600000000 ] - [ 0.0000146100000000, 0.0000000000000000, 0.0001695300000000 ] - [ 0.0001286300000000, 0.0000688700000000, 0.0001255100000000 ] - [ 0.0001744300000000, 0.0000000000000000, 0.0004460600000000 ] - [ 0.0001011000000000, 0.0000084100000000, 0.0001618600000000 ] - [ 0.0001319700000000, 0.0000000000000000, 0.0001728200000000 ] - [ 0.0001295700000000, -0.0000706300000000, 0.0001340100000000 ] - [ -0.0002102200000000, 0.0000000000000000, 0.0001734400000000 ] - [ 0.0000072200000000, 0.0000000000000000, 0.0001243500000000 ] - [ 0.0000503600000000, 0.0000326900000000, -0.0000538800000000 ] - [ 0.0000503600000000, -0.0000326900000000, -0.0000538800000000 ] - [ -0.0007888500000000, 0.0003206900000000, -0.0004407700000000 ] - [ -0.0011568500000000, 0.0000000000000000, -0.0026171600000000 ] - [ 0.0010955300000000, 0.0004166300000000, 0.0008715200000000 ] - [ 0.0004340900000000, 0.0000000000000000, -0.0008811800000000 ] - [ 0.0014785200000000, 0.0000000000000000, 0.0007444400000000 ] - [ -0.0132107300000000, 0.0096067900000000, -0.0014849100000000 ] - [ 0.0003442700000000, 0.0000000000000000, -0.0008209800000000 ] - [ 0.0019434800000000, 0.0013539900000000, -0.0031601200000000 ] - [ -0.0033877700000000, 0.0000000000000000, 0.0120028400000000 ] - [ -0.0132107300000000, -0.0096067900000000, -0.0014849100000000 ] - [ -0.0080626700000000, 0.0000000000000000, 0.0007825000000000 ] - [ 0.0019434800000000, -0.0013539900000000, -0.0031601200000000 ] - [ 0.0008759400000000, 0.0000000000000000, 0.0012945300000000 ] - [ 0.0009811400000000, -0.0006094800000000, 0.0007322700000000 ] - [ 0.0058906700000000, 0.0000000000000000, -0.0015338500000000 ] - [ 0.0033663600000000, 0.0016980100000000, -0.0023539500000000 ] - [ -0.0001797200000000, 0.0000000000000000, 0.0002309300000000 ] - [ -0.0006395500000000, -0.0001174300000000, -0.0004981300000000 ] - [ -0.0012999500000000, 0.0000000000000000, 0.0012466800000000 ] - [ -0.0023213200000000, -0.0001426300000000, 0.0002820300000000 ] - [ 0.0001103100000000, 0.0000000000000000, 0.0001937200000000 ] - [ -0.0000436000000000, -0.0000033700000000, 0.0001223600000000 ] - [ -0.0004225200000000, 0.0000000000000000, 0.0004225200000000 ] - [ 0.0000474200000000, -0.0000072100000000, 0.0004067300000000 ] - [ 0.0001013700000000, 0.0000000000000000, 0.0001969000000000 ] - [ 0.0000372200000000, 0.0000153100000000, 0.0001199800000000 ] - [ -0.0000211000000000, 0.0000000000000000, 0.0002377900000000 ] - [ 0.0000474200000000, 0.0000072100000000, 0.0004067300000000 ] - [ -0.0000101700000000, 0.0000000000000000, 0.0001809100000000 ] - [ -0.0000191300000000, -0.0000029900000000, 0.0001491600000000 ] - [ 0.0000217900000000, 0.0000000000000000, 0.0002841400000000 ] - [ 0.0001295700000000, 0.0000706300000000, 0.0001340100000000 ] - [ -0.0002547600000000, 0.0000000000000000, 0.0003344400000000 ] - [ -0.0000191300000000, 0.0000029900000000, 0.0001491600000000 ] - [ 0.0001221300000000, 0.0000000000000000, 0.0000683400000000 ] - [ 0.0001286300000000, -0.0000688700000000, 0.0001255100000000 ] - [ 0.0001914200000000, 0.0000000000000000, 0.0003350000000000 ] - [ 0.0000144700000000, 0.0000000000000000, 0.0002781300000000 ] - [ 0.0000679800000000, 0.0000007100000000, 0.0003894500000000 ] - [ 0.0000679800000000, -0.0000007100000000, 0.0003894500000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000311400000000, -0.0000128600000000, -0.0000761600000000 ] - [ -0.0000699500000000, 0.0012776900000000, -0.0000136400000000 ] - [ -0.0000423900000000, -0.0038171000000000, -0.0000012900000000 ] - [ -0.0000974000000000, -0.0012971500000000, 0.0000471900000000 ] - [ -0.0000062000000000, -0.0000134100000000, -0.0000146700000000 ] - [ 0.0000363800000000, 0.0000855200000000, -0.0000035900000000 ] - [ 0.0000219200000000, -0.0000006300000000, 0.0000190500000000 ] - [ 0.0000015200000000, -0.0000130800000000, -0.0000300800000000 ] - [ -0.0000214400000000, 0.0000081000000000, -0.0000373300000000 ] - [ 0.0001221000000000, 0.0000003500000000, -0.0000217600000000 ] - [ 0.0000315100000000, -0.0000557900000000, -0.0000768500000000 ] - [ -0.0000759200000000, -0.0000259400000000, -0.0000174000000000 ] - [ -0.0000552800000000, 0.0023229600000000, -0.0000055400000000 ] - [ -0.0001307000000000, 0.0079297200000000, 0.0000103900000000 ] - [ -0.0000071000000000, -0.0000904900000000, -0.0000151300000000 ] - [ 0.0000347600000000, -0.0022971200000000, -0.0000013600000000 ] - [ 0.0000218300000000, -0.0000007600000000, 0.0000190700000000 ] - [ 0.0000017300000000, -0.0000079000000000, -0.0000303500000000 ] - [ -0.0000216600000000, 0.0000066700000000, -0.0000370900000000 ] - [ 0.0001220800000000, 0.0000008900000000, -0.0000217500000000 ] - [ 0.0000575300000000, -0.0000070500000000, -0.0000158100000000 ] - [ 0.0000823600000000, 0.0000730100000000, -0.0000018200000000 ] - [ -0.0000073900000000, -0.0000997600000000, 0.0000408000000000 ] - [ 0.0000560000000000, 0.0065851400000000, -0.0000240600000000 ] - [ 0.0000420600000000, 0.0002160900000000, -0.0000637300000000 ] - [ -0.0094030700000000, 0.0250696800000000, 0.0176376000000000 ] - [ 0.0000009700000000, 0.0000307000000000, 0.0000218900000000 ] - [ -0.0000436500000000, -0.0002289300000000, 0.0000265600000000 ] - [ -0.0010765100000000, 0.0000644200000000, -0.0009105200000000 ] - [ 0.0000515100000000, 0.0000012800000000, -0.0000625300000000 ] - [ -0.0001734300000000, 0.0004293800000000, 0.0000040300000000 ] - [ 0.0000305800000000, -0.0000434700000000, -0.0000225500000000 ] - [ -0.0000737800000000, 0.0000342800000000, -0.0002058000000000 ] - [ -0.0000621900000000, 0.0049164500000000, 0.0000288900000000 ] - [ 0.0001368800000000, -0.0000141400000000, -0.0000162600000000 ] - [ -0.0000411700000000, -0.0000017200000000, -0.0000065100000000 ] - [ 0.0001348400000000, 0.0000138700000000, -0.0000200200000000 ] - [ 0.0000147500000000, 0.0000114500000000, -0.0000473500000000 ] - [ 0.0000310100000000, -0.0000120900000000, -0.0000377400000000 ] - [ 0.0000478800000000, -0.0000003000000000, -0.0000113200000000 ] - [ 0.0000605200000000, -0.0001447500000000, -0.0000166400000000 ] - [ 0.0000811900000000, 0.0000378400000000, -0.0000033600000000 ] - [ -0.0011851800000000, -0.0000852600000000, -0.0008345300000000 ] - [ -0.0001598600000000, -0.0057699300000000, 0.0000626100000000 ] - [ 0.0012172500000000, 0.0002154500000000, 0.0008080800000000 ] - [ 0.0010047300000000, 0.0002422800000000, 0.0008855200000000 ] - [ 0.0000003100000000, 0.0000258100000000, 0.0000216200000000 ] - [ -0.0000479700000000, -0.0000020400000000, 0.0000177800000000 ] - [ 0.0100581300000000, 0.0260932100000000, -0.0188752300000000 ] - [ 0.0000518800000000, -0.0000005900000000, -0.0000629500000000 ] - [ -0.0001719600000000, -0.0065308600000000, -0.0000388600000000 ] - [ 0.0001163900000000, -0.0000494800000000, 0.0001855300000000 ] - [ 0.0000154700000000, 0.0000404600000000, -0.0000004100000000 ] - [ -0.0000631100000000, -0.0003194100000000, 0.0000314600000000 ] - [ 0.0001362700000000, -0.0000139800000000, -0.0000173300000000 ] - [ -0.0000412600000000, -0.0000031900000000, -0.0000063700000000 ] - [ 0.0001355100000000, 0.0000140500000000, -0.0000193300000000 ] - [ 0.0000182000000000, 0.0000118800000000, -0.0000459700000000 ] - [ 0.0000338200000000, -0.0000124600000000, -0.0000366700000000 ] - [ 0.0000478500000000, 0.0000002300000000, -0.0000112600000000 ] - [ 0.0001865800000000, 0.0000728500000000, -0.0001126000000000 ] - [ -0.0000885500000000, -0.0014477200000000, 0.0001247000000000 ] - [ 0.0000152600000000, -0.0001282800000000, 0.0000193100000000 ] - [ -0.0000245700000000, 0.0000254500000000, -0.0000141200000000 ] - [ -0.0000750000000000, -0.0008335000000000, -0.0000399700000000 ] - [ -0.0043112100000000, 0.0020692300000000, -0.0005748800000000 ] - [ 0.0000720800000000, 0.0000231500000000, -0.0001180600000000 ] - [ -0.0001061000000000, -0.0000179500000000, 0.0002091300000000 ] - [ -0.0001531000000000, 0.0009782800000000, 0.0000798300000000 ] - [ 0.0041684200000000, 0.0021058400000000, 0.0006684500000000 ] - [ -0.0009703400000000, -0.0929054300000000, 0.0013834900000000 ] - [ -0.0000077800000000, -0.0000139300000000, -0.0002339500000000 ] - [ -0.0000323000000000, -0.0007688200000000, -0.0000301000000000 ] - [ -0.0000296500000000, -0.0000474000000000, -0.0000564300000000 ] - [ -0.0000203900000000, -0.0010965900000000, -0.0000490600000000 ] - [ -0.0001808700000000, 0.0000667200000000, 0.0003960600000000 ] - [ 0.0000634300000000, 0.0000064000000000, 0.0000123300000000 ] - [ -0.0002618800000000, 0.0000317500000000, 0.0001763000000000 ] - [ -0.0000190300000000, 0.0006000400000000, 0.0000246000000000 ] - [ 0.0033673300000000, 0.0019890900000000, 0.0058921400000000 ] - [ -0.0000827700000000, 0.0000023100000000, 0.0000188100000000 ] - [ -0.0000250200000000, 0.0000109100000000, -0.0000360100000000 ] - [ -0.0000785600000000, -0.0004401100000000, -0.0000815800000000 ] - [ 0.0000106900000000, -0.0000062800000000, 0.0000624900000000 ] - [ 0.0001296400000000, -0.0000002100000000, -0.0000322400000000 ] - [ -0.0000275100000000, -0.0000109000000000, -0.0000326700000000 ] - [ 0.0000096100000000, 0.0000042800000000, 0.0000403300000000 ] - [ 0.0000606400000000, -0.0000018900000000, 0.0001409800000000 ] - [ 0.0000444300000000, -0.0000002300000000, 0.0000102400000000 ] - [ 0.0000201300000000, 0.0000140100000000, -0.0000001200000000 ] - [ 0.0000266900000000, -0.0000044100000000, 0.0000197200000000 ] - [ 0.0001099800000000, 0.0000535400000000, -0.0000223200000000 ] - [ -0.0000193400000000, -0.0000049000000000, 0.0001248500000000 ] - [ 0.0000169800000000, -0.0000150000000000, 0.0000014800000000 ] - [ 0.0001615100000000, 0.0000020100000000, -0.0000409800000000 ] - [ 0.0001100500000000, -0.0000539500000000, -0.0000219400000000 ] - [ -0.0000117100000000, -0.0000054400000000, 0.0001121300000000 ] - [ 0.0000208000000000, -0.0000049100000000, -0.0000094100000000 ] - [ 0.0000374100000000, 0.0000230200000000, 0.0000019300000000 ] - [ 0.0000648300000000, -0.0000269900000000, 0.0000543200000000 ] - [ -0.0000652900000000, 0.0001468500000000, -0.0000311500000000 ] - [ -0.0000982000000000, 0.0009776500000000, 0.0001455200000000 ] - [ -0.0002412000000000, -0.0002053800000000, 0.0000988600000000 ] - [ -0.0000271000000000, 0.0005403700000000, -0.0000101300000000 ] - [ -0.0000817300000000, 0.0004226000000000, -0.0000330700000000 ] - [ -0.0095540300000000, 0.0036022900000000, -0.0011115700000000 ] - [ 0.0000729800000000, -0.0007485800000000, -0.0001159000000000 ] - [ -0.0018412400000000, 0.0018062300000000, -0.0048964800000000 ] - [ -0.0001551300000000, -0.0052047500000000, 0.0000882300000000 ] - [ 0.0095033900000000, 0.0035997200000000, 0.0012149800000000 ] - [ -0.0000439000000000, 0.0014354100000000, 0.0000106400000000 ] - [ 0.0017367600000000, 0.0017867000000000, 0.0048998600000000 ] - [ -0.0000350900000000, 0.0018555600000000, -0.0000198000000000 ] - [ 0.0002477700000000, -0.0000983400000000, -0.0003103500000000 ] - [ -0.0000354200000000, 0.0228919100000000, -0.0000399700000000 ] - [ -0.0033925400000000, 0.0022014400000000, -0.0059187000000000 ] - [ 0.0000626700000000, -0.0000053600000000, 0.0000124900000000 ] - [ 0.0000107400000000, 0.0000804200000000, -0.0000785500000000 ] - [ -0.0000202000000000, 0.0000212800000000, 0.0000279400000000 ] - [ 0.0001951200000000, -0.0001525100000000, -0.0003638700000000 ] - [ -0.0000820700000000, -0.0000119500000000, 0.0000185900000000 ] - [ -0.0000250300000000, 0.0000106800000000, -0.0000350600000000 ] - [ -0.0000782400000000, 0.0000187300000000, -0.0000783500000000 ] - [ 0.0000525100000000, -0.0000017200000000, 0.0000838800000000 ] - [ 0.0001294600000000, 0.0000002700000000, -0.0000323800000000 ] - [ -0.0000274200000000, -0.0000106500000000, -0.0000319000000000 ] - [ 0.0000096600000000, 0.0000012700000000, 0.0000403900000000 ] - [ 0.0000197400000000, 0.0000025300000000, 0.0001209400000000 ] - [ 0.0000446000000000, -0.0000002200000000, 0.0000100800000000 ] - [ 0.0000194700000000, 0.0000144400000000, -0.0000009400000000 ] - [ 0.0000268300000000, -0.0000013400000000, 0.0000198600000000 ] - [ 0.0001097300000000, 0.0000534400000000, -0.0000224200000000 ] - [ -0.0000187300000000, 0.0000036700000000, 0.0001247200000000 ] - [ 0.0000179400000000, -0.0000145900000000, 0.0000023700000000 ] - [ 0.0001615700000000, 0.0000041700000000, -0.0000408800000000 ] - [ 0.0001099800000000, -0.0000539900000000, -0.0000219000000000 ] - [ -0.0000121100000000, -0.0000007600000000, 0.0001120700000000 ] - [ 0.0000207500000000, -0.0000025800000000, -0.0000095800000000 ] - [ 0.0000583500000000, 0.0000269400000000, 0.0000109300000000 ] - [ 0.0000435800000000, -0.0000231000000000, 0.0000442500000000 ]- atom: 71 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0001786200000000, 0.0000000000000000, -0.0007133800000000 ] - [ 0.0002669300000000, 0.0000000000000000, -0.0032825600000000 ] - [ -0.0022557700000000, 0.0000000000000000, 0.0047572700000000 ] - [ 0.0002572800000000, 0.0000000000000000, 0.0024167200000000 ] - [ -0.0004941500000000, 0.0000000000000000, -0.0006376400000000 ] - [ 0.0001937500000000, 0.0000000000000000, 0.0002559500000000 ] - [ -0.0000010700000000, 0.0000000000000000, -0.0007992700000000 ] - [ -0.0000807700000000, 0.0000000000000000, -0.0010548000000000 ] - [ -0.0000927500000000, 0.0000000000000000, -0.0009209900000000 ] - [ 0.0000912300000000, 0.0000000000000000, -0.0010079500000000 ] - [ -0.0000168100000000, 0.0000000000000000, -0.0011465100000000 ] - [ -0.0001810200000000, 0.0000000000000000, 0.0001221400000000 ] - [ 0.0017920000000000, 0.0000000000000000, 0.0036136400000000 ] - [ 0.0061458900000000, 0.0000000000000000, 0.0151048900000000 ] - [ 0.0005103700000000, 0.0000000000000000, -0.0009653500000000 ] - [ 0.0019672800000000, 0.0000000000000000, -0.0020789400000000 ] - [ 0.0000267700000000, 0.0000000000000000, -0.0008361400000000 ] - [ 0.0000437400000000, 0.0000000000000000, -0.0009422100000000 ] - [ 0.0000039700000000, 0.0000000000000000, -0.0008740800000000 ] - [ 0.0000859500000000, 0.0000000000000000, -0.0009820800000000 ] - [ 0.0002632600000000, 0.0000000000000000, -0.0009432600000000 ] - [ 0.0003133900000000, 0.0000000000000000, -0.0017101100000000 ] - [ 0.0016890900000000, 0.0015040100000000, -0.0008492800000000 ] - [ -0.0068764700000000, 0.0000000000000000, 0.0123512500000000 ] - [ 0.0016890900000000, -0.0015040100000000, -0.0008492800000000 ] - [ -0.0062722800000000, 0.0174691700000000, 0.0260325300000000 ] - [ -0.0002272400000000, 0.0000000000000000, -0.0013059600000000 ] - [ -0.0014115800000000, 0.0000000000000000, 0.0001217800000000 ] - [ -0.0002276600000000, -0.0002049500000000, 0.0034227700000000 ] - [ 0.0001230000000000, 0.0000000000000000, -0.0015887500000000 ] - [ -0.0003815100000000, 0.0000000000000000, 0.0028866700000000 ] - [ 0.0002715300000000, -0.0002971600000000, -0.0009520600000000 ] - [ -0.0001666800000000, 0.0000032300000000, -0.0018805700000000 ] - [ -0.0056954000000000, 0.0000000000000000, -0.0034778500000000 ] - [ 0.0000739100000000, 0.0000522600000000, -0.0013493800000000 ] - [ -0.0000276200000000, 0.0000000000000000, -0.0014384800000000 ] - [ 0.0000739100000000, -0.0000522600000000, -0.0013493800000000 ] - [ -0.0000950900000000, 0.0000981400000000, -0.0013060800000000 ] - [ 0.0000607800000000, -0.0000937400000000, -0.0014367100000000 ] - [ 0.0000847000000000, 0.0000000000000000, -0.0013985700000000 ] - [ 0.0004202300000000, 0.0000000000000000, -0.0018400500000000 ] - [ -0.0005909800000000, 0.0000000000000000, -0.0013753400000000 ] - [ -0.0030952000000000, -0.0001953100000000, -0.0010552300000000 ] - [ -0.0006724900000000, 0.0000000000000000, 0.0034405900000000 ] - [ -0.0030952000000000, 0.0001953100000000, -0.0010552300000000 ] - [ -0.0002276600000000, 0.0002049500000000, 0.0034227700000000 ] - [ 0.0002460100000000, 0.0000000000000000, -0.0014682100000000 ] - [ 0.0005599100000000, 0.0000000000000000, -0.0041955100000000 ] - [ -0.0062722800000000, -0.0174691700000000, 0.0260325300000000 ] - [ 0.0000543500000000, 0.0000000000000000, -0.0013442800000000 ] - [ 0.0022597600000000, 0.0000000000000000, 0.0042628400000000 ] - [ -0.0001666800000000, -0.0000032300000000, -0.0018805700000000 ] - [ 0.0002715300000000, 0.0002971600000000, -0.0009520600000000 ] - [ 0.0012706400000000, 0.0000000000000000, 0.0005980600000000 ] - [ 0.0001374200000000, 0.0000444300000000, -0.0013176300000000 ] - [ 0.0000351700000000, 0.0000000000000000, -0.0013938100000000 ] - [ 0.0001374200000000, -0.0000444300000000, -0.0013176300000000 ] - [ 0.0000607800000000, 0.0000937400000000, -0.0014367100000000 ] - [ -0.0000950900000000, -0.0000981400000000, -0.0013060800000000 ] - [ 0.0000924700000000, 0.0000000000000000, -0.0013971800000000 ] - [ -0.0002456000000000, -0.0001232200000000, 0.0012507900000000 ] - [ -0.0050071400000000, 0.0000000000000000, 0.0052065500000000 ] - [ 0.0002536500000000, -0.0002044500000000, 0.0002978300000000 ] - [ -0.0010088700000000, 0.0000000000000000, 0.0010828200000000 ] - [ 0.0020000700000000, 0.0000000000000000, -0.0009807900000000 ] - [ -0.0004994300000000, 0.0003767100000000, -0.0036731400000000 ] - [ -0.0002111300000000, 0.0000000000000000, 0.0000445800000000 ] - [ -0.0006701900000000, 0.0001329300000000, -0.0011870600000000 ] - [ 0.0011960500000000, 0.0000000000000000, -0.0018707900000000 ] - [ -0.0004994300000000, -0.0003767100000000, -0.0036731400000000 ] - [ 0.0134620200000000, 0.0000000000000000, -0.0897841800000000 ] - [ -0.0006701900000000, -0.0001329300000000, -0.0011870600000000 ] - [ 0.0018643300000000, 0.0000000000000000, -0.0015503300000000 ] - [ 0.0001556800000000, -0.0000227100000000, 0.0000183500000000 ] - [ 0.0000797300000000, 0.0000000000000000, -0.0026715300000000 ] - [ -0.0008270700000000, 0.0002998200000000, -0.0012304700000000 ] - [ -0.0000012200000000, 0.0000000000000000, 0.0014200300000000 ] - [ -0.0001413300000000, 0.0004358100000000, 0.0013004300000000 ] - [ 0.0007452100000000, 0.0000000000000000, 0.0015723700000000 ] - [ 0.0035906500000000, 0.0042434900000000, 0.0048428500000000 ] - [ -0.0001635800000000, 0.0000000000000000, 0.0006237100000000 ] - [ 0.0001010700000000, -0.0000847400000000, 0.0008202200000000 ] - [ 0.0004077500000000, 0.0000000000000000, 0.0015886300000000 ] - [ 0.0003573200000000, 0.0001071000000000, 0.0009960400000000 ] - [ 0.0000905200000000, 0.0000000000000000, 0.0011483200000000 ] - [ 0.0000549100000000, 0.0000661900000000, 0.0007249600000000 ] - [ -0.0000929200000000, 0.0000000000000000, 0.0008774900000000 ] - [ 0.0003573200000000, -0.0001071000000000, 0.0009960400000000 ] - [ -0.0000964600000000, 0.0000000000000000, 0.0008582200000000 ] - [ 0.0001398200000000, -0.0000755500000000, 0.0008416300000000 ] - [ 0.0000144800000000, 0.0000000000000000, 0.0011588700000000 ] - [ 0.0002105600000000, 0.0001416700000000, 0.0007836000000000 ] - [ -0.0000684100000000, 0.0000000000000000, 0.0013909700000000 ] - [ 0.0001398200000000, 0.0000755500000000, 0.0008416300000000 ] - [ -0.0000145200000000, 0.0000000000000000, 0.0008155800000000 ] - [ 0.0002193200000000, -0.0001435600000000, 0.0007856600000000 ] - [ 0.0000051400000000, 0.0000000000000000, 0.0008240700000000 ] - [ -0.0000034000000000, 0.0000000000000000, 0.0011311500000000 ] - [ 0.0002618900000000, 0.0000242500000000, 0.0009344500000000 ] - [ 0.0002618900000000, -0.0000242500000000, 0.0009344500000000 ] - [ 0.0002536500000000, 0.0002044500000000, 0.0002978300000000 ] - [ 0.0012945200000000, 0.0000000000000000, -0.0017682700000000 ] - [ -0.0002456000000000, 0.0001232200000000, 0.0012507900000000 ] - [ 0.0007373700000000, 0.0000000000000000, 0.0016744400000000 ] - [ -0.0010709900000000, 0.0000000000000000, -0.0010923600000000 ] - [ 0.0002034800000000, -0.0008081000000000, -0.0057180600000000 ] - [ 0.0006198700000000, 0.0000000000000000, 0.0012785600000000 ] - [ 0.0034386600000000, -0.0052347200000000, 0.0065693800000000 ] - [ -0.0080477600000000, 0.0000000000000000, 0.0073662600000000 ] - [ 0.0002034800000000, 0.0008081000000000, -0.0057180600000000 ] - [ 0.0003401700000000, 0.0000000000000000, -0.0018250600000000 ] - [ 0.0034386600000000, 0.0052347200000000, 0.0065693800000000 ] - [ -0.0014911000000000, 0.0000000000000000, -0.0007711300000000 ] - [ -0.0001413300000000, -0.0004358100000000, 0.0013004300000000 ] - [ 0.0005392600000000, 0.0000000000000000, -0.0083317400000000 ] - [ 0.0035906500000000, -0.0042434900000000, 0.0048428500000000 ] - [ -0.0000359000000000, 0.0000000000000000, 0.0009960100000000 ] - [ 0.0001556800000000, 0.0000227100000000, 0.0000183500000000 ] - [ -0.0012436200000000, 0.0000000000000000, 0.0010795000000000 ] - [ -0.0008270700000000, -0.0002998200000000, -0.0012304700000000 ] - [ -0.0002827000000000, 0.0000000000000000, 0.0010311900000000 ] - [ 0.0000549100000000, -0.0000661900000000, 0.0007249600000000 ] - [ -0.0004343800000000, 0.0000000000000000, 0.0001916400000000 ] - [ -0.0000541400000000, 0.0000200300000000, 0.0008632500000000 ] - [ 0.0000700800000000, 0.0000000000000000, 0.0011048800000000 ] - [ 0.0001010700000000, 0.0000847400000000, 0.0008202200000000 ] - [ -0.0001906900000000, 0.0000000000000000, 0.0008937200000000 ] - [ -0.0000541400000000, -0.0000200300000000, 0.0008632500000000 ] - [ -0.0001178000000000, 0.0000000000000000, 0.0008328700000000 ] - [ 0.0000995200000000, -0.0000659900000000, 0.0007805500000000 ] - [ -0.0000579300000000, 0.0000000000000000, 0.0011622500000000 ] - [ 0.0002193200000000, 0.0001435600000000, 0.0007856600000000 ] - [ -0.0000838700000000, 0.0000000000000000, 0.0011048800000000 ] - [ 0.0000995200000000, 0.0000659900000000, 0.0007805500000000 ] - [ 0.0000430100000000, 0.0000000000000000, 0.0008002800000000 ] - [ 0.0002105600000000, -0.0001416700000000, 0.0007836000000000 ] - [ -0.0000814900000000, 0.0000000000000000, 0.0010890100000000 ] - [ -0.0000557700000000, 0.0000000000000000, 0.0011479000000000 ] - [ 0.0000109100000000, -0.0000065600000000, 0.0008588300000000 ] - [ 0.0000109100000000, 0.0000065600000000, 0.0008588300000000 ]- atom: 71 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0001128900000000, 0.0000000000000000, 0.0005602000000000 ] - [ -0.0004165700000000, 0.0000000000000000, 0.0032304100000000 ] - [ 0.0021433900000000, 0.0000000000000000, -0.0048156100000000 ] - [ -0.0004587000000000, 0.0000000000000000, -0.0023044300000000 ] - [ 0.0004816600000000, 0.0000000000000000, 0.0006062900000000 ] - [ -0.0001244400000000, 0.0000000000000000, -0.0002681700000000 ] - [ 0.0000452600000000, 0.0000000000000000, 0.0008368000000000 ] - [ 0.0000839400000000, 0.0000000000000000, 0.0009945300000000 ] - [ 0.0000431100000000, 0.0000000000000000, 0.0008448400000000 ] - [ 0.0001532400000000, 0.0000000000000000, 0.0009647200000000 ] - [ 0.0000821900000000, 0.0000000000000000, 0.0009901100000000 ] - [ 0.0000241600000000, 0.0000000000000000, -0.0001503100000000 ] - [ -0.0019112000000000, 0.0000000000000000, -0.0036544600000000 ] - [ -0.0054218700000000, 0.0000000000000000, -0.0144508100000000 ] - [ -0.0005267600000000, 0.0000000000000000, 0.0009356200000000 ] - [ -0.0019099000000000, 0.0000000000000000, 0.0020752300000000 ] - [ 0.0000167800000000, 0.0000000000000000, 0.0008738400000000 ] - [ -0.0000412200000000, 0.0000000000000000, 0.0008811200000000 ] - [ -0.0000533500000000, 0.0000000000000000, 0.0007987500000000 ] - [ 0.0001585400000000, 0.0000000000000000, 0.0009385800000000 ] - [ -0.0001459300000000, 0.0000000000000000, 0.0009125900000000 ] - [ -0.0001485500000000, 0.0000000000000000, 0.0017022400000000 ] - [ -0.0016474000000000, -0.0018016000000000, 0.0008300300000000 ] - [ 0.0068085900000000, 0.0000000000000000, -0.0123978900000000 ] - [ -0.0016474000000000, 0.0018016000000000, 0.0008300300000000 ] - [ 0.0066029000000000, -0.0179751500000000, -0.0263810300000000 ] - [ 0.0002293100000000, 0.0000000000000000, 0.0013483400000000 ] - [ 0.0013279200000000, 0.0000000000000000, -0.0000767200000000 ] - [ 0.0001487300000000, 0.0000300300000000, -0.0034676200000000 ] - [ -0.0000199000000000, 0.0000000000000000, 0.0014632200000000 ] - [ 0.0000363900000000, 0.0000000000000000, -0.0028599200000000 ] - [ -0.0002276600000000, 0.0002160800000000, 0.0009272800000000 ] - [ 0.0002119000000000, 0.0000795000000000, 0.0018604400000000 ] - [ 0.0056097900000000, 0.0000000000000000, 0.0035671700000000 ] - [ 0.0001978200000000, -0.0000802400000000, 0.0013122800000000 ] - [ -0.0000547900000000, 0.0000000000000000, 0.0014240700000000 ] - [ 0.0001978200000000, 0.0000802400000000, 0.0013122800000000 ] - [ 0.0001447700000000, -0.0000717900000000, 0.0012211100000000 ] - [ -0.0000100200000000, 0.0000673700000000, 0.0013514200000000 ] - [ 0.0000108300000000, 0.0000000000000000, 0.0013763400000000 ] - [ -0.0002976500000000, 0.0000000000000000, 0.0018037000000000 ] - [ 0.0007500600000000, 0.0000000000000000, 0.0013672500000000 ] - [ 0.0031151400000000, -0.0001032800000000, 0.0010319900000000 ] - [ 0.0003659400000000, 0.0000000000000000, -0.0032898600000000 ] - [ 0.0031151400000000, 0.0001032800000000, 0.0010319900000000 ] - [ 0.0001487300000000, -0.0000300300000000, -0.0034676200000000 ] - [ -0.0002455900000000, 0.0000000000000000, 0.0015116200000000 ] - [ -0.0006521900000000, 0.0000000000000000, 0.0042566000000000 ] - [ 0.0066029000000000, 0.0179751500000000, -0.0263810300000000 ] - [ 0.0000491000000000, 0.0000000000000000, 0.0012175900000000 ] - [ -0.0025858200000000, 0.0000000000000000, -0.0042135200000000 ] - [ 0.0002119000000000, -0.0000795000000000, 0.0018604400000000 ] - [ -0.0002276600000000, -0.0002160800000000, 0.0009272800000000 ] - [ -0.0013954800000000, 0.0000000000000000, -0.0005459700000000 ] - [ 0.0001341400000000, -0.0000723100000000, 0.0012805000000000 ] - [ -0.0001175300000000, 0.0000000000000000, 0.0013797800000000 ] - [ 0.0001341400000000, 0.0000723100000000, 0.0012805000000000 ] - [ -0.0000100200000000, -0.0000673700000000, 0.0013514200000000 ] - [ 0.0001447700000000, 0.0000717900000000, 0.0012211100000000 ] - [ 0.0000026100000000, 0.0000000000000000, 0.0013745900000000 ] - [ 0.0001918800000000, 0.0003959400000000, -0.0012613300000000 ] - [ 0.0047680100000000, 0.0000000000000000, -0.0048892300000000 ] - [ -0.0003025700000000, -0.0000685300000000, -0.0003122100000000 ] - [ 0.0009491100000000, 0.0000000000000000, -0.0011041600000000 ] - [ -0.0021431100000000, 0.0000000000000000, 0.0008943200000000 ] - [ 0.0004050800000000, -0.0004167600000000, 0.0037686100000000 ] - [ 0.0003566400000000, 0.0000000000000000, -0.0002891200000000 ] - [ 0.0005566700000000, -0.0001315100000000, 0.0011536900000000 ] - [ -0.0015039700000000, 0.0000000000000000, 0.0020480700000000 ] - [ 0.0004050800000000, 0.0004167600000000, 0.0037686100000000 ] - [ -0.0155929300000000, 0.0000000000000000, 0.0900521900000000 ] - [ 0.0005566700000000, 0.0001315100000000, 0.0011536900000000 ] - [ -0.0019354200000000, 0.0000000000000000, 0.0014999800000000 ] - [ -0.0001749400000000, -0.0000996100000000, -0.0001501200000000 ] - [ -0.0001225700000000, 0.0000000000000000, 0.0025708300000000 ] - [ 0.0008463700000000, -0.0000786100000000, 0.0012725900000000 ] - [ 0.0001295900000000, 0.0000000000000000, -0.0013920000000000 ] - [ 0.0001236900000000, -0.0003155300000000, -0.0014381100000000 ] - [ -0.0007830700000000, 0.0000000000000000, -0.0015226600000000 ] - [ -0.0036144500000000, -0.0045319800000000, -0.0048651400000000 ] - [ -0.0000065300000000, 0.0000000000000000, -0.0005855500000000 ] - [ -0.0001547800000000, 0.0001121100000000, -0.0008890700000000 ] - [ -0.0005681800000000, 0.0000000000000000, -0.0017521100000000 ] - [ -0.0002854900000000, -0.0001044000000000, -0.0007915300000000 ] - [ 0.0001704400000000, 0.0000000000000000, -0.0012089300000000 ] - [ -0.0001084100000000, -0.0000935200000000, -0.0007934300000000 ] - [ 0.0001162100000000, 0.0000000000000000, -0.0007960900000000 ] - [ -0.0002854900000000, 0.0001044000000000, -0.0007915300000000 ] - [ 0.0001791100000000, 0.0000000000000000, -0.0008382800000000 ] - [ -0.0001014000000000, 0.0001112900000000, -0.0008400700000000 ] - [ 0.0000360900000000, 0.0000000000000000, -0.0011229700000000 ] - [ 0.0000112600000000, -0.0000261800000000, -0.0008267300000000 ] - [ 0.0000333700000000, 0.0000000000000000, -0.0011397200000000 ] - [ -0.0001014000000000, -0.0001112900000000, -0.0008400700000000 ] - [ 0.0003393700000000, 0.0000000000000000, -0.0008946200000000 ] - [ 0.0000019800000000, 0.0000278600000000, -0.0008287000000000 ] - [ -0.0000255200000000, 0.0000000000000000, -0.0006016800000000 ] - [ 0.0000404000000000, 0.0000000000000000, -0.0011506800000000 ] - [ -0.0001633500000000, 0.0000277000000000, -0.0008762000000000 ] - [ -0.0001633500000000, -0.0000277000000000, -0.0008762000000000 ] - [ -0.0003025700000000, 0.0000685300000000, -0.0003122100000000 ] - [ -0.0014830500000000, 0.0000000000000000, 0.0020408000000000 ] - [ 0.0001918800000000, -0.0003959400000000, -0.0012613300000000 ] - [ -0.0007899600000000, 0.0000000000000000, -0.0016870600000000 ] - [ 0.0009103500000000, 0.0000000000000000, 0.0010071500000000 ] - [ -0.0003631900000000, 0.0008126300000000, 0.0058034400000000 ] - [ -0.0004714200000000, 0.0000000000000000, -0.0015140200000000 ] - [ -0.0035104000000000, 0.0051736900000000, -0.0065157500000000 ] - [ 0.0078705200000000, 0.0000000000000000, -0.0073014100000000 ] - [ -0.0003631900000000, -0.0008126300000000, 0.0058034400000000 ] - [ -0.0004241000000000, 0.0000000000000000, 0.0018464900000000 ] - [ -0.0035104000000000, -0.0051736900000000, -0.0065157500000000 ] - [ 0.0014228900000000, 0.0000000000000000, 0.0007375800000000 ] - [ 0.0001236900000000, 0.0003155300000000, -0.0014381100000000 ] - [ -0.0005872200000000, 0.0000000000000000, 0.0082292000000000 ] - [ -0.0036144500000000, 0.0045319800000000, -0.0048651400000000 ] - [ 0.0001639300000000, 0.0000000000000000, -0.0009663900000000 ] - [ -0.0001749400000000, 0.0000996100000000, -0.0001501200000000 ] - [ 0.0012157200000000, 0.0000000000000000, -0.0010278300000000 ] - [ 0.0008463700000000, 0.0000786100000000, 0.0012725900000000 ] - [ 0.0001133600000000, 0.0000000000000000, -0.0009945900000000 ] - [ -0.0001084100000000, 0.0000935200000000, -0.0007934300000000 ] - [ 0.0002767900000000, 0.0000000000000000, -0.0003462600000000 ] - [ 0.0001281700000000, -0.0000172500000000, -0.0006576900000000 ] - [ 0.0001906000000000, 0.0000000000000000, -0.0011658500000000 ] - [ -0.0001547800000000, -0.0001121100000000, -0.0008890700000000 ] - [ 0.0002142200000000, 0.0000000000000000, -0.0008124600000000 ] - [ 0.0001281700000000, 0.0000172500000000, -0.0006576900000000 ] - [ 0.0002010400000000, 0.0000000000000000, -0.0008132400000000 ] - [ -0.0000611200000000, 0.0001018300000000, -0.0007792800000000 ] - [ 0.0001093500000000, 0.0000000000000000, -0.0011263400000000 ] - [ 0.0000019800000000, -0.0000278600000000, -0.0008287000000000 ] - [ 0.0000496500000000, 0.0000000000000000, -0.0008550600000000 ] - [ -0.0000611200000000, -0.0001018300000000, -0.0007792800000000 ] - [ 0.0002821800000000, 0.0000000000000000, -0.0008791500000000 ] - [ 0.0000112600000000, 0.0000261800000000, -0.0008267300000000 ] - [ 0.0000599200000000, 0.0000000000000000, -0.0008654500000000 ] - [ 0.0000922700000000, 0.0000000000000000, -0.0011673700000000 ] - [ 0.0000863600000000, 0.0000587100000000, -0.0008017800000000 ] - [ 0.0000863600000000, -0.0000587100000000, -0.0008017800000000 ]- atom: 73 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0000664000000000, 0.0000000000000000, 0.0001232900000000 ] - [ -0.0001833500000000, 0.0000000000000000, -0.0001855800000000 ] - [ 0.0031515000000000, 0.0000000000000000, -0.0030762600000000 ] - [ 0.0018798000000000, 0.0000000000000000, -0.0004099600000000 ] - [ 0.0031622000000000, 0.0000000000000000, 0.0001712300000000 ] - [ 0.0163707400000000, 0.0000000000000000, 0.0037141200000000 ] - [ 0.0001671700000000, 0.0000000000000000, 0.0000929100000000 ] - [ 0.0001808600000000, 0.0000000000000000, 0.0006148800000000 ] - [ -0.0000513300000000, 0.0000000000000000, 0.0001255100000000 ] - [ 0.0001508400000000, 0.0000000000000000, 0.0001674300000000 ] - [ -0.0000062400000000, 0.0000000000000000, 0.0000957200000000 ] - [ -0.0002193600000000, 0.0000000000000000, 0.0004404000000000 ] - [ -0.0050476500000000, 0.0000000000000000, 0.0018615400000000 ] - [ -0.0016681000000000, 0.0000000000000000, -0.0001845000000000 ] - [ -0.0016367400000000, 0.0000000000000000, 0.0000821900000000 ] - [ -0.0027442600000000, 0.0000000000000000, 0.0033681000000000 ] - [ -0.0000795300000000, 0.0000000000000000, 0.0002626600000000 ] - [ -0.0001377600000000, 0.0000000000000000, -0.0002124400000000 ] - [ 0.0000047600000000, 0.0000000000000000, 0.0001151700000000 ] - [ 0.0001055900000000, 0.0000000000000000, 0.0001572800000000 ] - [ 0.0001285300000000, 0.0000000000000000, 0.0003892900000000 ] - [ 0.0002135700000000, 0.0000000000000000, 0.0001803100000000 ] - [ 0.0008459100000000, -0.0000794100000000, -0.0000109300000000 ] - [ 0.0001004300000000, 0.0000000000000000, -0.0040499300000000 ] - [ 0.0008459100000000, 0.0000794100000000, -0.0000109300000000 ] - [ -0.0066502000000000, 0.0001541900000000, -0.0031366700000000 ] - [ 0.0012839000000000, 0.0000000000000000, 0.0000070100000000 ] - [ 0.0048198200000000, 0.0000000000000000, -0.0003982100000000 ] - [ 0.0163761900000000, 0.0102554300000000, -0.0085053600000000 ] - [ -0.0002365400000000, 0.0000000000000000, 0.0005376600000000 ] - [ 0.0007226000000000, 0.0000000000000000, 0.0044970700000000 ] - [ -0.0001814600000000, 0.0001779000000000, -0.0019847500000000 ] - [ -0.0011589300000000, 0.0024386300000000, 0.0024264400000000 ] - [ 0.0826003300000000, 0.0000000000000000, -0.0211369100000000 ] - [ 0.0002339300000000, -0.0000691000000000, 0.0003280800000000 ] - [ -0.0000678300000000, 0.0000000000000000, 0.0002882200000000 ] - [ 0.0002339300000000, 0.0000691000000000, 0.0003280800000000 ] - [ 0.0000078700000000, 0.0000043400000000, 0.0002330600000000 ] - [ 0.0000570200000000, -0.0000035800000000, 0.0001800900000000 ] - [ -0.0000204900000000, 0.0000000000000000, 0.0002836300000000 ] - [ -0.0000207600000000, 0.0000000000000000, 0.0000996500000000 ] - [ -0.0000293800000000, 0.0000000000000000, 0.0003446700000000 ] - [ -0.0006198500000000, 0.0001151300000000, 0.0004157100000000 ] - [ -0.0018844100000000, 0.0000000000000000, 0.0015134300000000 ] - [ -0.0006198500000000, -0.0001151300000000, 0.0004157100000000 ] - [ 0.0163761900000000, -0.0102554300000000, -0.0085053600000000 ] - [ -0.0013748000000000, 0.0000000000000000, 0.0002150000000000 ] - [ -0.0046217400000000, 0.0000000000000000, -0.0000201600000000 ] - [ -0.0066502000000000, -0.0001541900000000, -0.0031366700000000 ] - [ 0.0003230600000000, 0.0000000000000000, -0.0003678900000000 ] - [ -0.0005215000000000, 0.0000000000000000, -0.0014965200000000 ] - [ -0.0011589300000000, -0.0024386300000000, 0.0024264400000000 ] - [ -0.0001814600000000, -0.0001779000000000, -0.0019847500000000 ] - [ -0.0061590400000000, 0.0000000000000000, -0.0037638400000000 ] - [ 0.0000165300000000, -0.0000380600000000, 0.0001283300000000 ] - [ -0.0000283100000000, 0.0000000000000000, 0.0002183100000000 ] - [ 0.0000165300000000, 0.0000380600000000, 0.0001283300000000 ] - [ 0.0000570200000000, 0.0000035800000000, 0.0001800900000000 ] - [ 0.0000078700000000, -0.0000043400000000, 0.0002330600000000 ] - [ 0.0000993600000000, 0.0000000000000000, 0.0002096000000000 ] - [ -0.0000313900000000, 0.0001250000000000, 0.0000252800000000 ] - [ -0.0004180300000000, 0.0000000000000000, 0.0008905200000000 ] - [ -0.0000321800000000, -0.0001148300000000, -0.0003272200000000 ] - [ -0.0002397800000000, 0.0000000000000000, -0.0002072600000000 ] - [ 0.0012091000000000, 0.0000000000000000, -0.0012636100000000 ] - [ -0.0033717500000000, 0.0016031400000000, 0.0024273900000000 ] - [ -0.0001610600000000, 0.0000000000000000, -0.0004376000000000 ] - [ -0.0010467300000000, -0.0005477700000000, -0.0008199600000000 ] - [ -0.0060425700000000, 0.0000000000000000, 0.0015410700000000 ] - [ -0.0033717500000000, -0.0016031400000000, 0.0024273900000000 ] - [ 0.0010945800000000, 0.0000000000000000, 0.0017732300000000 ] - [ -0.0010467300000000, 0.0005477700000000, -0.0008199600000000 ] - [ -0.1642982600000000, 0.0000000000000000, 0.0407397600000000 ] - [ -0.0019788700000000, 0.0012648600000000, 0.0030785400000000 ] - [ 0.0032326300000000, 0.0000000000000000, -0.0120373300000000 ] - [ 0.0132488400000000, 0.0097895300000000, 0.0014718400000000 ] - [ 0.0004135400000000, 0.0000000000000000, -0.0005938000000000 ] - [ 0.0019380400000000, -0.0001200500000000, -0.0006144400000000 ] - [ -0.0015230400000000, 0.0000000000000000, -0.0007625300000000 ] - [ 0.0092032900000000, -0.0066787700000000, 0.0020942200000000 ] - [ -0.0005841000000000, 0.0000000000000000, 0.0008663900000000 ] - [ -0.0000625600000000, 0.0000198000000000, -0.0003844200000000 ] - [ 0.0024633700000000, 0.0000000000000000, -0.0097768800000000 ] - [ -0.0011272500000000, -0.0005876300000000, -0.0007693300000000 ] - [ 0.0001287600000000, 0.0000000000000000, -0.0003014200000000 ] - [ -0.0000111700000000, -0.0000006900000000, 0.0000538900000000 ] - [ -0.0002142600000000, 0.0000000000000000, -0.0001323200000000 ] - [ -0.0011272500000000, 0.0005876300000000, -0.0007693300000000 ] - [ 0.0000717100000000, 0.0000000000000000, -0.0001983000000000 ] - [ 0.0000020800000000, 0.0000334000000000, -0.0001539300000000 ] - [ -0.0001565800000000, 0.0000000000000000, -0.0003403600000000 ] - [ 0.0001413200000000, 0.0000428900000000, -0.0001726100000000 ] - [ -0.0000009000000000, 0.0000000000000000, -0.0000281100000000 ] - [ 0.0000020800000000, -0.0000334000000000, -0.0001539300000000 ] - [ 0.0001636000000000, 0.0000000000000000, -0.0001823900000000 ] - [ 0.0000347100000000, -0.0000283000000000, -0.0001763500000000 ] - [ -0.0000080500000000, 0.0000000000000000, -0.0000953600000000 ] - [ 0.0000458500000000, 0.0000000000000000, -0.0002389700000000 ] - [ 0.0000690400000000, 0.0000244000000000, -0.0001432400000000 ] - [ 0.0000690400000000, -0.0000244000000000, -0.0001432400000000 ] - [ -0.0000321800000000, 0.0001148300000000, -0.0003272200000000 ] - [ 0.0002400800000000, 0.0000000000000000, -0.0003658800000000 ] - [ -0.0000313900000000, -0.0001250000000000, 0.0000252800000000 ] - [ 0.0001731100000000, 0.0000000000000000, -0.0001280100000000 ] - [ -0.0005802500000000, 0.0000000000000000, 0.0006627600000000 ] - [ 0.0022626500000000, 0.0000191900000000, -0.0002300400000000 ] - [ 0.0003296700000000, 0.0000000000000000, -0.0003038000000000 ] - [ 0.0005750200000000, 0.0001854500000000, 0.0004228400000000 ] - [ 0.0038893300000000, 0.0000000000000000, 0.0002905900000000 ] - [ 0.0022626500000000, -0.0000191900000000, -0.0002300400000000 ] - [ -0.0009513900000000, 0.0000000000000000, -0.0013367000000000 ] - [ 0.0005750200000000, -0.0001854500000000, 0.0004228400000000 ] - [ 0.0079683100000000, 0.0000000000000000, -0.0007416300000000 ] - [ 0.0019380400000000, 0.0001200500000000, -0.0006144400000000 ] - [ 0.0010707600000000, 0.0000000000000000, 0.0027607000000000 ] - [ 0.0092032900000000, 0.0066787700000000, 0.0020942200000000 ] - [ -0.0002212900000000, 0.0000000000000000, 0.0007468900000000 ] - [ -0.0019788700000000, -0.0012648600000000, 0.0030785400000000 ] - [ 0.0018434600000000, 0.0000000000000000, 0.0018290500000000 ] - [ 0.0132488400000000, -0.0097895300000000, 0.0014718400000000 ] - [ 0.0012003900000000, 0.0000000000000000, -0.0014161000000000 ] - [ -0.0000111700000000, 0.0000006900000000, 0.0000538900000000 ] - [ 0.0010029800000000, 0.0000000000000000, 0.0027263700000000 ] - [ 0.0008187400000000, 0.0001864600000000, 0.0005474200000000 ] - [ 0.0001509600000000, 0.0000000000000000, -0.0001698600000000 ] - [ -0.0000625600000000, -0.0000198000000000, -0.0003844200000000 ] - [ 0.0002513200000000, 0.0000000000000000, -0.0000607700000000 ] - [ 0.0008187400000000, -0.0001864600000000, 0.0005474200000000 ] - [ 0.0000818900000000, 0.0000000000000000, -0.0001010500000000 ] - [ 0.0000000000000000, 0.0000297700000000, -0.0001460800000000 ] - [ 0.0002573800000000, 0.0000000000000000, -0.0001831300000000 ] - [ 0.0000347100000000, 0.0000283000000000, -0.0001763500000000 ] - [ -0.0000205700000000, 0.0000000000000000, -0.0001209200000000 ] - [ 0.0000000000000000, -0.0000297700000000, -0.0001460800000000 ] - [ 0.0002101800000000, 0.0000000000000000, -0.0002101200000000 ] - [ 0.0001413200000000, -0.0000428900000000, -0.0001726100000000 ] - [ 0.0000085700000000, 0.0000000000000000, -0.0000184000000000 ] - [ 0.0000140300000000, 0.0000000000000000, -0.0002146200000000 ] - [ -0.0000027500000000, 0.0000179400000000, -0.0001249000000000 ] - [ -0.0000027500000000, -0.0000179400000000, -0.0001249000000000 ]- atom: 73 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0000000500000000, 0.0000000000000000, -0.0002759600000000 ] - [ 0.0000306000000000, 0.0000000000000000, 0.0001541800000000 ] - [ -0.0032165700000000, 0.0000000000000000, 0.0030221800000000 ] - [ -0.0020923200000000, 0.0000000000000000, 0.0005137500000000 ] - [ -0.0031581500000000, 0.0000000000000000, -0.0002088700000000 ] - [ -0.0173054200000000, 0.0000000000000000, -0.0045954900000000 ] - [ -0.0001228900000000, 0.0000000000000000, -0.0000528800000000 ] - [ -0.0001759200000000, 0.0000000000000000, -0.0006705200000000 ] - [ 0.0000012700000000, 0.0000000000000000, -0.0002002100000000 ] - [ 0.0000939400000000, 0.0000000000000000, -0.0002074700000000 ] - [ 0.0000732400000000, 0.0000000000000000, -0.0002501800000000 ] - [ 0.0000588400000000, 0.0000000000000000, -0.0004696100000000 ] - [ 0.0049229500000000, 0.0000000000000000, -0.0019004600000000 ] - [ 0.0014665000000000, 0.0000000000000000, 0.0002666200000000 ] - [ 0.0016188100000000, 0.0000000000000000, -0.0001066400000000 ] - [ 0.0028078900000000, 0.0000000000000000, -0.0033543200000000 ] - [ 0.0001228600000000, 0.0000000000000000, -0.0002215300000000 ] - [ 0.0001380900000000, 0.0000000000000000, 0.0001539700000000 ] - [ -0.0000551200000000, 0.0000000000000000, -0.0001894300000000 ] - [ 0.0001386500000000, 0.0000000000000000, -0.0001980000000000 ] - [ -0.0000113700000000, 0.0000000000000000, -0.0004203900000000 ] - [ -0.0000495300000000, 0.0000000000000000, -0.0001881000000000 ] - [ -0.0008082200000000, -0.0002181800000000, -0.0000056600000000 ] - [ -0.0003711900000000, 0.0000000000000000, 0.0041614300000000 ] - [ -0.0008082200000000, 0.0002181800000000, -0.0000056600000000 ] - [ 0.0065587200000000, 0.0000190300000000, 0.0030797900000000 ] - [ -0.0012767500000000, 0.0000000000000000, 0.0000352700000000 ] - [ -0.0048819500000000, 0.0000000000000000, 0.0004108400000000 ] - [ -0.0164066200000000, -0.0106661200000000, 0.0086624400000000 ] - [ 0.0003392400000000, 0.0000000000000000, -0.0006574900000000 ] - [ -0.0010706100000000, 0.0000000000000000, -0.0044693600000000 ] - [ 0.0002086600000000, -0.0002607100000000, 0.0019600900000000 ] - [ 0.0012036000000000, -0.0023434900000000, -0.0024363000000000 ] - [ -0.0779496000000000, 0.0000000000000000, 0.0194535000000000 ] - [ 0.0000383600000000, 0.0000407700000000, -0.0003607900000000 ] - [ -0.0000133900000000, 0.0000000000000000, -0.0002978800000000 ] - [ 0.0000383600000000, -0.0000407700000000, -0.0003607900000000 ] - [ 0.0000422100000000, 0.0000223000000000, -0.0003147600000000 ] - [ -0.0000064600000000, -0.0000229800000000, -0.0002615200000000 ] - [ 0.0001159500000000, 0.0000000000000000, -0.0003021000000000 ] - [ 0.0001416000000000, 0.0000000000000000, -0.0001316100000000 ] - [ 0.0001922200000000, 0.0000000000000000, -0.0003541900000000 ] - [ 0.0006557200000000, -0.0004121000000000, -0.0004397900000000 ] - [ 0.0015546700000000, 0.0000000000000000, -0.0013944400000000 ] - [ 0.0006557200000000, 0.0004121000000000, -0.0004397900000000 ] - [ -0.0164066200000000, 0.0106661200000000, 0.0086624400000000 ] - [ 0.0013709200000000, 0.0000000000000000, -0.0001665800000000 ] - [ 0.0045142700000000, 0.0000000000000000, 0.0000810400000000 ] - [ 0.0065587200000000, -0.0000190300000000, 0.0030797900000000 ] - [ -0.0002190100000000, 0.0000000000000000, 0.0002421100000000 ] - [ 0.0001941400000000, 0.0000000000000000, 0.0014973400000000 ] - [ 0.0012036000000000, 0.0023434900000000, -0.0024363000000000 ] - [ 0.0002086600000000, 0.0002607100000000, 0.0019600900000000 ] - [ 0.0060121700000000, 0.0000000000000000, 0.0038333400000000 ] - [ 0.0002541300000000, 0.0000099100000000, -0.0001613100000000 ] - [ -0.0000533400000000, 0.0000000000000000, -0.0002281200000000 ] - [ 0.0002541300000000, -0.0000099100000000, -0.0001613100000000 ] - [ -0.0000064600000000, 0.0000229800000000, -0.0002615200000000 ] - [ 0.0000422100000000, -0.0000223000000000, -0.0003147600000000 ] - [ -0.0000042500000000, 0.0000000000000000, -0.0002284700000000 ] - [ -0.0000211800000000, 0.0001466500000000, -0.0000393300000000 ] - [ 0.0002145700000000, 0.0000000000000000, -0.0006115700000000 ] - [ -0.0000171200000000, -0.0001565400000000, 0.0003143900000000 ] - [ 0.0001831700000000, 0.0000000000000000, 0.0001824200000000 ] - [ -0.0013571300000000, 0.0000000000000000, 0.0011866200000000 ] - [ 0.0031893600000000, -0.0016310400000000, -0.0023690200000000 ] - [ 0.0003081500000000, 0.0000000000000000, 0.0001950800000000 ] - [ 0.0009359300000000, 0.0005479900000000, 0.0007906500000000 ] - [ 0.0057143900000000, 0.0000000000000000, -0.0013535500000000 ] - [ 0.0031893600000000, 0.0016310400000000, -0.0023690200000000 ] - [ -0.0011985800000000, 0.0000000000000000, -0.0017299100000000 ] - [ 0.0009359300000000, -0.0005479900000000, 0.0007906500000000 ] - [ 0.1604636900000000, 0.0000000000000000, -0.0384923600000000 ] - [ 0.0019782000000000, -0.0013785900000000, -0.0031771500000000 ] - [ -0.0032530100000000, 0.0000000000000000, 0.0120030300000000 ] - [ -0.0133587300000000, -0.0096898200000000, -0.0014391200000000 ] - [ -0.0002876900000000, 0.0000000000000000, 0.0006156800000000 ] - [ -0.0019508500000000, 0.0002435400000000, 0.0004723100000000 ] - [ 0.0014688900000000, 0.0000000000000000, 0.0008153000000000 ] - [ -0.0090725400000000, 0.0063427800000000, -0.0020287000000000 ] - [ 0.0004192900000000, 0.0000000000000000, -0.0008238900000000 ] - [ 0.0000085300000000, 0.0000052600000000, 0.0003132200000000 ] - [ -0.0025992300000000, 0.0000000000000000, 0.0095013500000000 ] - [ 0.0011910500000000, 0.0005833200000000, 0.0009689800000000 ] - [ 0.0001316500000000, 0.0000000000000000, 0.0002356700000000 ] - [ -0.0000414100000000, -0.0000239300000000, -0.0001228300000000 ] - [ 0.0002337500000000, 0.0000000000000000, 0.0002118200000000 ] - [ 0.0011910500000000, -0.0005833200000000, 0.0009689800000000 ] - [ 0.0000141500000000, 0.0000000000000000, 0.0002166800000000 ] - [ 0.0000360700000000, -0.0000003200000000, 0.0001539700000000 ] - [ 0.0002079100000000, 0.0000000000000000, 0.0003759800000000 ] - [ 0.0000799000000000, 0.0000692400000000, 0.0001273700000000 ] - [ -0.0000344800000000, 0.0000000000000000, 0.0002737200000000 ] - [ 0.0000360700000000, 0.0000003200000000, 0.0001539700000000 ] - [ 0.0001586500000000, 0.0000000000000000, 0.0001002000000000 ] - [ 0.0001858700000000, -0.0000835500000000, 0.0001312700000000 ] - [ -0.0000141600000000, 0.0000000000000000, 0.0003166600000000 ] - [ -0.0000053200000000, 0.0000000000000000, 0.0002215900000000 ] - [ 0.0000302400000000, 0.0000261000000000, 0.0001976500000000 ] - [ 0.0000302400000000, -0.0000261000000000, 0.0001976500000000 ] - [ -0.0000171200000000, 0.0001565400000000, 0.0003143900000000 ] - [ -0.0004359900000000, 0.0000000000000000, 0.0006534800000000 ] - [ -0.0000211800000000, -0.0001466500000000, -0.0000393300000000 ] - [ -0.0002306000000000, 0.0000000000000000, 0.0001063000000000 ] - [ 0.0004218800000000, 0.0000000000000000, -0.0007486000000000 ] - [ -0.0023781300000000, -0.0000394700000000, 0.0003287700000000 ] - [ -0.0001828900000000, 0.0000000000000000, 0.0000645600000000 ] - [ -0.0006896500000000, -0.0001848700000000, -0.0004436700000000 ] - [ -0.0041789700000000, 0.0000000000000000, -0.0001267900000000 ] - [ -0.0023781300000000, 0.0000394700000000, 0.0003287700000000 ] - [ 0.0008821400000000, 0.0000000000000000, 0.0013453500000000 ] - [ -0.0006896500000000, 0.0001848700000000, -0.0004436700000000 ] - [ -0.0080255800000000, 0.0000000000000000, 0.0006844900000000 ] - [ -0.0019508500000000, -0.0002435400000000, 0.0004723100000000 ] - [ -0.0011256900000000, 0.0000000000000000, -0.0028295600000000 ] - [ -0.0090725400000000, -0.0063427800000000, -0.0020287000000000 ] - [ 0.0003497800000000, 0.0000000000000000, -0.0007154700000000 ] - [ 0.0019782000000000, 0.0013785900000000, -0.0031771500000000 ] - [ -0.0018707500000000, 0.0000000000000000, -0.0017797600000000 ] - [ -0.0133587300000000, 0.0096898200000000, -0.0014391200000000 ] - [ -0.0013616100000000, 0.0000000000000000, 0.0014436200000000 ] - [ -0.0000414100000000, 0.0000239300000000, -0.0001228300000000 ] - [ -0.0011511700000000, 0.0000000000000000, -0.0028979500000000 ] - [ -0.0007431100000000, -0.0001873600000000, -0.0003450400000000 ] - [ 0.0001091700000000, 0.0000000000000000, 0.0001044200000000 ] - [ 0.0000085300000000, -0.0000052600000000, 0.0003132200000000 ] - [ -0.0002295500000000, 0.0000000000000000, 0.0001393600000000 ] - [ -0.0007431100000000, 0.0001873600000000, -0.0003450400000000 ] - [ 0.0000050800000000, 0.0000000000000000, 0.0001196900000000 ] - [ 0.0000384500000000, 0.0000032900000000, 0.0001461900000000 ] - [ -0.0002039000000000, 0.0000000000000000, 0.0002177500000000 ] - [ 0.0001858700000000, 0.0000835500000000, 0.0001312700000000 ] - [ -0.0000141300000000, 0.0000000000000000, 0.0003666300000000 ] - [ 0.0000384500000000, -0.0000032900000000, 0.0001461900000000 ] - [ 0.0001121300000000, 0.0000000000000000, 0.0001280600000000 ] - [ 0.0000799000000000, -0.0000692400000000, 0.0001273700000000 ] - [ -0.0000311300000000, 0.0000000000000000, 0.0002401300000000 ] - [ 0.0000259800000000, 0.0000000000000000, 0.0001971500000000 ] - [ 0.0001019000000000, 0.0000325700000000, 0.0001785800000000 ] - [ 0.0001019000000000, -0.0000325700000000, 0.0001785800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000327200000000, -0.0000024300000000, -0.0000771700000000 ] - [ -0.0000779200000000, -0.0000092700000000, -0.0000171200000000 ] - [ -0.0000752000000000, -0.0037896600000000, -0.0000166300000000 ] - [ -0.0000984400000000, -0.0023093000000000, 0.0000414800000000 ] - [ -0.0000125900000000, 0.0012281700000000, -0.0000193300000000 ] - [ 0.0000637700000000, 0.0079663800000000, 0.0000284300000000 ] - [ 0.0000218600000000, 0.0000093200000000, 0.0000187600000000 ] - [ 0.0000009900000000, 0.0000451800000000, -0.0000310800000000 ] - [ -0.0000245400000000, -0.0000018500000000, -0.0000380800000000 ] - [ 0.0001222400000000, 0.0000009900000000, -0.0000212000000000 ] - [ 0.0000326300000000, -0.0000043400000000, -0.0000771300000000 ] - [ -0.0000770000000000, -0.0000890400000000, -0.0000168100000000 ] - [ -0.0000619200000000, 0.0023764900000000, -0.0000124500000000 ] - [ -0.0001003200000000, 0.0000867200000000, 0.0000436000000000 ] - [ -0.0000063700000000, -0.0000234200000000, -0.0000152500000000 ] - [ 0.0000334700000000, -0.0012693700000000, -0.0000065100000000 ] - [ 0.0000218800000000, 0.0000048700000000, 0.0000185700000000 ] - [ 0.0000017700000000, 0.0000288900000000, -0.0000302800000000 ] - [ -0.0000243900000000, -0.0000018100000000, -0.0000380000000000 ] - [ 0.0001223600000000, 0.0000007100000000, -0.0000217800000000 ] - [ 0.0000599100000000, 0.0000212400000000, -0.0000162800000000 ] - [ 0.0000815200000000, -0.0000174900000000, -0.0000052000000000 ] - [ 0.0001126900000000, -0.0001587900000000, 0.0001841400000000 ] - [ -0.0001561800000000, 0.0048996000000000, 0.0000642000000000 ] - [ -0.0000738800000000, 0.0001393100000000, -0.0002115900000000 ] - [ 0.0009889700000000, 0.0002461500000000, 0.0008765400000000 ] - [ -0.0000010100000000, -0.0001753800000000, 0.0000218500000000 ] - [ -0.0000426300000000, -0.0063560800000000, 0.0000697100000000 ] - [ 0.0099605000000000, 0.0261932700000000, -0.0186190400000000 ] - [ 0.0000523100000000, -0.0000122900000000, -0.0000627300000000 ] - [ -0.0001670600000000, -0.0000016500000000, 0.0000135800000000 ] - [ -0.0011544300000000, -0.0000076800000000, -0.0008095800000000 ] - [ 0.0000522200000000, 0.0000948700000000, -0.0000555800000000 ] - [ -0.0002781300000000, 0.0064641300000000, 0.0001147000000000 ] - [ 0.0001311400000000, -0.0000142900000000, -0.0000221900000000 ] - [ -0.0000405500000000, 0.0000002600000000, -0.0000069100000000 ] - [ 0.0001403500000000, 0.0000134600000000, -0.0000151900000000 ] - [ 0.0000260500000000, 0.0000132800000000, -0.0000416600000000 ] - [ 0.0000238800000000, -0.0000135200000000, -0.0000443500000000 ] - [ 0.0000474800000000, -0.0000023400000000, -0.0000114500000000 ] - [ 0.0000591200000000, 0.0000254700000000, -0.0000166200000000 ] - [ 0.0000813100000000, -0.0000112400000000, -0.0000049000000000 ] - [ 0.0000234000000000, -0.0001500200000000, -0.0000262000000000 ] - [ -0.0001553000000000, -0.0003161200000000, 0.0000616000000000 ] - [ 0.0000119300000000, 0.0001478400000000, 0.0000017200000000 ] - [ -0.0107844500000000, 0.0276269200000000, 0.0198611400000000 ] - [ 0.0000023700000000, -0.0000107100000000, 0.0000210700000000 ] - [ -0.0000407200000000, 0.0004150000000000, 0.0000274800000000 ] - [ -0.0010571500000000, 0.0000641200000000, -0.0008913700000000 ] - [ 0.0000517700000000, -0.0000670600000000, -0.0000616700000000 ] - [ -0.0001717100000000, -0.0002391800000000, 0.0000044200000000 ] - [ -0.0000056200000000, 0.0000294500000000, 0.0000297200000000 ] - [ 0.0012033800000000, 0.0000734600000000, 0.0007878400000000 ] - [ -0.0000588200000000, -0.0058361700000000, 0.0000292200000000 ] - [ 0.0001262100000000, -0.0000148800000000, -0.0000248200000000 ] - [ -0.0000406100000000, -0.0000004500000000, -0.0000067900000000 ] - [ 0.0001461900000000, 0.0000127000000000, -0.0000122200000000 ] - [ 0.0000265800000000, 0.0000130300000000, -0.0000411400000000 ] - [ 0.0000245500000000, -0.0000133400000000, -0.0000435600000000 ] - [ 0.0000471100000000, -0.0000013000000000, -0.0000115400000000 ] - [ -0.0000024800000000, 0.0001343000000000, 0.0000362700000000 ] - [ -0.0000996100000000, -0.0004331400000000, 0.0001475400000000 ] - [ -0.0000095000000000, -0.0001322400000000, -0.0000251700000000 ] - [ -0.0000291100000000, -0.0000087200000000, -0.0000102300000000 ] - [ -0.0000732800000000, 0.0000237600000000, -0.0000400400000000 ] - [ 0.0033610700000000, 0.0020420800000000, 0.0060124600000000 ] - [ 0.0000726700000000, 0.0000058400000000, -0.0001194600000000 ] - [ -0.0003212100000000, -0.0000377100000000, 0.0002296000000000 ] - [ -0.0001375400000000, 0.0230298500000000, 0.0000675800000000 ] - [ -0.0034443500000000, 0.0020697800000000, -0.0058639700000000 ] - [ -0.0000430400000000, -0.0007688300000000, 0.0000091200000000 ] - [ 0.0002032100000000, -0.0000339100000000, -0.0002550200000000 ] - [ 0.0009274600000000, -0.0954341500000000, -0.0014395900000000 ] - [ 0.0017409600000000, 0.0017001700000000, 0.0047120700000000 ] - [ -0.0000175200000000, -0.0052970600000000, -0.0000596700000000 ] - [ 0.0096274400000000, 0.0037428300000000, 0.0011563400000000 ] - [ 0.0000633600000000, 0.0000202100000000, 0.0000120500000000 ] - [ -0.0000537600000000, 0.0000474400000000, 0.0001494400000000 ] - [ -0.0000127100000000, 0.0004105500000000, 0.0000203300000000 ] - [ -0.0041804600000000, 0.0019668900000000, -0.0005787800000000 ] - [ -0.0000822600000000, 0.0006028800000000, 0.0000179500000000 ] - [ -0.0000322200000000, 0.0000119300000000, -0.0000210400000000 ] - [ -0.0000893700000000, -0.0015096600000000, -0.0000562900000000 ] - [ -0.0001841500000000, -0.0000473200000000, 0.0002036000000000 ] - [ 0.0001295800000000, -0.0000021500000000, -0.0000319000000000 ] - [ -0.0000446000000000, -0.0000190500000000, -0.0000654400000000 ] - [ 0.0000101100000000, 0.0000047200000000, 0.0000404700000000 ] - [ 0.0002593200000000, -0.0000484700000000, 0.0000031300000000 ] - [ 0.0000438300000000, 0.0000012200000000, 0.0000106600000000 ] - [ 0.0000193200000000, 0.0000153300000000, 0.0000020700000000 ] - [ 0.0000268500000000, -0.0000049700000000, 0.0000203900000000 ] - [ 0.0001100600000000, 0.0000552200000000, -0.0000195400000000 ] - [ -0.0000183400000000, -0.0000040100000000, 0.0001243100000000 ] - [ 0.0000192400000000, -0.0000159300000000, 0.0000000900000000 ] - [ 0.0001608500000000, -0.0000002900000000, -0.0000401500000000 ] - [ 0.0001119800000000, -0.0000556500000000, -0.0000231100000000 ] - [ -0.0000108700000000, 0.0000014300000000, 0.0001116500000000 ] - [ 0.0000201800000000, 0.0000004300000000, -0.0000078100000000 ] - [ 0.0000483600000000, 0.0000247300000000, 0.0000311700000000 ] - [ 0.0000507800000000, -0.0000257300000000, 0.0000251800000000 ] - [ -0.0000415500000000, 0.0001389300000000, 0.0000144400000000 ] - [ -0.0000998300000000, 0.0000194000000000, 0.0001441000000000 ] - [ -0.0000477500000000, -0.0001365900000000, -0.0000455300000000 ] - [ -0.0000283500000000, 0.0000025900000000, -0.0000105200000000 ] - [ -0.0000746300000000, 0.0006169600000000, -0.0000367400000000 ] - [ 0.0001275400000000, -0.0000525600000000, -0.0003392600000000 ] - [ 0.0000734300000000, -0.0000066200000000, -0.0001197200000000 ] - [ -0.0000370200000000, 0.0000160900000000, -0.0000230700000000 ] - [ -0.0001530500000000, -0.0010987700000000, 0.0000778600000000 ] - [ -0.0002502500000000, -0.0000324900000000, 0.0004287800000000 ] - [ -0.0000402900000000, 0.0018555800000000, -0.0000014000000000 ] - [ -0.0000761100000000, 0.0000176900000000, -0.0000013400000000 ] - [ -0.0000309300000000, 0.0014329400000000, -0.0000309000000000 ] - [ 0.0000334400000000, -0.0000813400000000, -0.0002845800000000 ] - [ -0.0000200100000000, 0.0009708000000000, -0.0000504800000000 ] - [ 0.0042151800000000, 0.0021725300000000, 0.0006074500000000 ] - [ 0.0000626000000000, -0.0006542200000000, 0.0000095300000000 ] - [ -0.0017705400000000, 0.0018057500000000, -0.0048749200000000 ] - [ -0.0000193000000000, -0.0008380000000000, 0.0000273500000000 ] - [ -0.0096859400000000, 0.0034973900000000, -0.0011377700000000 ] - [ -0.0000849700000000, 0.0000228800000000, 0.0000218900000000 ] - [ -0.0000085400000000, 0.0000041900000000, -0.0000027600000000 ] - [ -0.0000791400000000, 0.0009635300000000, -0.0000784500000000 ] - [ 0.0000783400000000, 0.0000103800000000, 0.0001308800000000 ] - [ 0.0001295500000000, -0.0000058900000000, -0.0000320200000000 ] - [ -0.0000203900000000, -0.0000112900000000, -0.0000459900000000 ] - [ 0.0000094800000000, -0.0000066400000000, 0.0000405100000000 ] - [ -0.0000073600000000, 0.0000130400000000, 0.0000738500000000 ] - [ 0.0000438300000000, 0.0000042500000000, 0.0000105000000000 ] - [ 0.0000192000000000, 0.0000154100000000, 0.0000020700000000 ] - [ 0.0000264100000000, 0.0000053400000000, 0.0000205100000000 ] - [ 0.0001086300000000, 0.0000549000000000, -0.0000201300000000 ] - [ -0.0000184400000000, -0.0000012500000000, 0.0001241900000000 ] - [ 0.0000191700000000, -0.0000159500000000, 0.0000000000000000 ] - [ 0.0001606100000000, -0.0000003000000000, -0.0000399400000000 ] - [ 0.0001105300000000, -0.0000552600000000, -0.0000236400000000 ] - [ -0.0000104900000000, 0.0000038700000000, 0.0001119800000000 ] - [ 0.0000199100000000, -0.0000000400000000, -0.0000079000000000 ] - [ 0.0000483900000000, 0.0000249000000000, 0.0000318100000000 ] - [ 0.0000506600000000, -0.0000255700000000, 0.0000247500000000 ]- atom: 73 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0000852500000000, 0.0000000000000000, -0.0010640900000000 ] - [ -0.0004754200000000, 0.0000000000000000, -0.0006366500000000 ] - [ -0.0021969500000000, 0.0000000000000000, 0.0047409200000000 ] - [ 0.0018371600000000, 0.0000000000000000, -0.0019826000000000 ] - [ 0.0001978300000000, 0.0000000000000000, -0.0031860300000000 ] - [ 0.0044549300000000, 0.0000000000000000, 0.0138642700000000 ] - [ -0.0000289500000000, 0.0000000000000000, -0.0008682200000000 ] - [ 0.0001774200000000, 0.0000000000000000, -0.0011724100000000 ] - [ -0.0000564000000000, 0.0000000000000000, -0.0008662000000000 ] - [ 0.0000963800000000, 0.0000000000000000, -0.0010067400000000 ] - [ 0.0000325100000000, 0.0000000000000000, -0.0008959000000000 ] - [ 0.0005431800000000, 0.0000000000000000, -0.0009791500000000 ] - [ 0.0017678000000000, 0.0000000000000000, 0.0036422600000000 ] - [ 0.0000589200000000, 0.0000000000000000, 0.0003060400000000 ] - [ -0.0001430800000000, 0.0000000000000000, 0.0001182200000000 ] - [ 0.0003835200000000, 0.0000000000000000, 0.0023940900000000 ] - [ 0.0000440600000000, 0.0000000000000000, -0.0007882000000000 ] - [ -0.0004777400000000, 0.0000000000000000, -0.0009099300000000 ] - [ -0.0000288600000000, 0.0000000000000000, -0.0009002000000000 ] - [ 0.0000821000000000, 0.0000000000000000, -0.0009768300000000 ] - [ 0.0002997400000000, 0.0000000000000000, -0.0014462600000000 ] - [ -0.0000436000000000, 0.0000000000000000, -0.0015819800000000 ] - [ -0.0002392500000000, -0.0002389100000000, -0.0018830000000000 ] - [ -0.0057611800000000, 0.0000000000000000, -0.0034654800000000 ] - [ -0.0002392500000000, 0.0002389100000000, -0.0018830000000000 ] - [ -0.0002530000000000, 0.0002021500000000, 0.0034266100000000 ] - [ 0.0004044200000000, 0.0000000000000000, -0.0019092300000000 ] - [ 0.0023468900000000, 0.0000000000000000, 0.0042001600000000 ] - [ -0.0070740600000000, -0.0190934200000000, 0.0269072800000000 ] - [ 0.0002577200000000, 0.0000000000000000, -0.0010938000000000 ] - [ 0.0004483000000000, 0.0000000000000000, -0.0042494100000000 ] - [ -0.0030154300000000, 0.0000806100000000, -0.0010114400000000 ] - [ 0.0017960800000000, -0.0016871000000000, -0.0008781600000000 ] - [ -0.0067960500000000, 0.0000000000000000, 0.0122725900000000 ] - [ 0.0002067500000000, 0.0000765400000000, -0.0013941300000000 ] - [ 0.0000016200000000, 0.0000000000000000, -0.0014047400000000 ] - [ 0.0002067500000000, -0.0000765400000000, -0.0013941300000000 ] - [ 0.0000180700000000, 0.0000756600000000, -0.0013484800000000 ] - [ -0.0000322300000000, -0.0000744700000000, -0.0013889100000000 ] - [ 0.0001222800000000, 0.0000000000000000, -0.0013662800000000 ] - [ -0.0001557200000000, 0.0000000000000000, -0.0013064000000000 ] - [ 0.0001290100000000, 0.0000000000000000, -0.0014038400000000 ] - [ 0.0001943500000000, -0.0005041100000000, -0.0009680900000000 ] - [ 0.0011641500000000, 0.0000000000000000, 0.0006180300000000 ] - [ 0.0001943500000000, 0.0005041100000000, -0.0009680900000000 ] - [ -0.0070740600000000, 0.0190934200000000, 0.0269072800000000 ] - [ 0.0002522900000000, 0.0000000000000000, -0.0008924700000000 ] - [ -0.0002434800000000, 0.0000000000000000, 0.0029005000000000 ] - [ -0.0002530000000000, -0.0002021500000000, 0.0034266100000000 ] - [ -0.0000304000000000, 0.0000000000000000, -0.0017219500000000 ] - [ -0.0015557300000000, 0.0000000000000000, 0.0000798600000000 ] - [ 0.0017960800000000, 0.0016871000000000, -0.0008781600000000 ] - [ -0.0030154300000000, -0.0000806100000000, -0.0010114400000000 ] - [ -0.0005973400000000, 0.0000000000000000, 0.0033586100000000 ] - [ -0.0000046500000000, 0.0000661200000000, -0.0012606500000000 ] - [ -0.0000052600000000, 0.0000000000000000, -0.0014129000000000 ] - [ -0.0000046500000000, -0.0000661200000000, -0.0012606500000000 ] - [ -0.0000322300000000, 0.0000744700000000, -0.0013889100000000 ] - [ 0.0000180700000000, -0.0000756600000000, -0.0013484800000000 ] - [ 0.0000637500000000, 0.0000000000000000, -0.0014225900000000 ] - [ 0.0002699600000000, 0.0000914800000000, 0.0009524800000000 ] - [ 0.0003785000000000, 0.0000000000000000, 0.0018184300000000 ] - [ -0.0001323400000000, -0.0001783900000000, 0.0008192900000000 ] - [ -0.0001597400000000, 0.0000000000000000, 0.0010957100000000 ] - [ -0.0013079300000000, 0.0000000000000000, 0.0010181700000000 ] - [ 0.0035481600000000, 0.0043994600000000, 0.0049392000000000 ] - [ 0.0000375900000000, 0.0000000000000000, 0.0010458400000000 ] - [ -0.0002110400000000, 0.0003595700000000, 0.0013481800000000 ] - [ 0.0003861200000000, 0.0000000000000000, -0.0081768200000000 ] - [ 0.0035481600000000, -0.0043994600000000, 0.0049392000000000 ] - [ 0.0018577900000000, 0.0000000000000000, -0.0015204100000000 ] - [ -0.0002110400000000, -0.0003595700000000, 0.0013481800000000 ] - [ 0.0171700600000000, 0.0000000000000000, -0.0904524200000000 ] - [ 0.0034053000000000, 0.0049476000000000, 0.0063051000000000 ] - [ -0.0081541400000000, 0.0000000000000000, 0.0074126000000000 ] - [ 0.0003768000000000, 0.0009932400000000, -0.0057326200000000 ] - [ -0.0002436900000000, 0.0000000000000000, 0.0003812600000000 ] - [ -0.0006323600000000, 0.0002151600000000, -0.0012243100000000 ] - [ -0.0010088400000000, 0.0000000000000000, -0.0010277700000000 ] - [ -0.0004144400000000, 0.0002803500000000, -0.0036735800000000 ] - [ 0.0005354300000000, 0.0000000000000000, 0.0015725200000000 ] - [ -0.0000521300000000, -0.0000176800000000, 0.0007255800000000 ] - [ -0.0051323600000000, 0.0000000000000000, 0.0051251400000000 ] - [ -0.0001742800000000, 0.0003443800000000, 0.0012778000000000 ] - [ 0.0000506900000000, 0.0000000000000000, 0.0011135100000000 ] - [ 0.0002319300000000, 0.0000874300000000, 0.0008453100000000 ] - [ -0.0001919500000000, 0.0000000000000000, 0.0009831500000000 ] - [ -0.0001742800000000, -0.0003443800000000, 0.0012778000000000 ] - [ -0.0001440800000000, 0.0000000000000000, 0.0008592800000000 ] - [ 0.0001235800000000, -0.0000683900000000, 0.0008113300000000 ] - [ -0.0000533300000000, 0.0000000000000000, 0.0013615300000000 ] - [ 0.0001968600000000, 0.0001369500000000, 0.0007455200000000 ] - [ -0.0000190600000000, 0.0000000000000000, 0.0012169000000000 ] - [ 0.0001235800000000, 0.0000683900000000, 0.0008113300000000 ] - [ 0.0000240200000000, 0.0000000000000000, 0.0008099600000000 ] - [ 0.0002298700000000, -0.0001508600000000, 0.0008172800000000 ] - [ -0.0000888500000000, 0.0000000000000000, 0.0009955800000000 ] - [ -0.0000392700000000, 0.0000000000000000, 0.0011175100000000 ] - [ 0.0001057200000000, 0.0000308200000000, 0.0008319400000000 ] - [ 0.0001057200000000, -0.0000308200000000, 0.0008319400000000 ] - [ -0.0001323400000000, 0.0001783900000000, 0.0008192900000000 ] - [ -0.0004442600000000, 0.0000000000000000, 0.0004401100000000 ] - [ 0.0002699600000000, -0.0000914800000000, 0.0009524800000000 ] - [ -0.0000625100000000, 0.0000000000000000, 0.0006632800000000 ] - [ 0.0007211000000000, 0.0000000000000000, 0.0015040600000000 ] - [ -0.0008939800000000, -0.0002019700000000, -0.0012109100000000 ] - [ -0.0000151000000000, 0.0000000000000000, 0.0006579200000000 ] - [ 0.0000997800000000, -0.0000537900000000, 0.0000694200000000 ] - [ -0.0000383900000000, 0.0000000000000000, -0.0025553000000000 ] - [ -0.0008939800000000, 0.0002019700000000, -0.0012109100000000 ] - [ -0.0014770200000000, 0.0000000000000000, -0.0007613100000000 ] - [ 0.0000997800000000, 0.0000537900000000, 0.0000694200000000 ] - [ 0.0004084600000000, 0.0000000000000000, -0.0018765400000000 ] - [ -0.0006323600000000, -0.0002151600000000, -0.0012243100000000 ] - [ 0.0013259200000000, 0.0000000000000000, -0.0019931700000000 ] - [ -0.0004144400000000, -0.0002803500000000, -0.0036735800000000 ] - [ 0.0005306000000000, 0.0000000000000000, 0.0016634500000000 ] - [ 0.0034053000000000, -0.0049476000000000, 0.0063051000000000 ] - [ 0.0020200900000000, 0.0000000000000000, -0.0008639100000000 ] - [ 0.0003768000000000, -0.0009932400000000, -0.0057326200000000 ] - [ -0.0011124700000000, 0.0000000000000000, 0.0010455500000000 ] - [ 0.0002319300000000, -0.0000874300000000, 0.0008453100000000 ] - [ 0.0012631400000000, 0.0000000000000000, -0.0020020100000000 ] - [ 0.0003174500000000, -0.0000322100000000, 0.0003667100000000 ] - [ 0.0001158300000000, 0.0000000000000000, 0.0011173400000000 ] - [ -0.0000521300000000, 0.0000176800000000, 0.0007255800000000 ] - [ -0.0000566700000000, 0.0000000000000000, 0.0007030400000000 ] - [ 0.0003174500000000, 0.0000322100000000, 0.0003667100000000 ] - [ -0.0000727000000000, 0.0000000000000000, 0.0008458300000000 ] - [ 0.0001172000000000, -0.0000691000000000, 0.0008082800000000 ] - [ -0.0000402300000000, 0.0000000000000000, 0.0010203800000000 ] - [ 0.0002298700000000, 0.0001508600000000, 0.0008172800000000 ] - [ -0.0000892600000000, 0.0000000000000000, 0.0012205700000000 ] - [ 0.0001172000000000, 0.0000691000000000, 0.0008082800000000 ] - [ 0.0000076100000000, 0.0000000000000000, 0.0007807600000000 ] - [ 0.0001968600000000, -0.0001369500000000, 0.0007455200000000 ] - [ -0.0000089900000000, 0.0000000000000000, 0.0009999300000000 ] - [ -0.0000246300000000, 0.0000000000000000, 0.0011650800000000 ] - [ 0.0001400300000000, 0.0000345300000000, 0.0009220500000000 ] - [ 0.0001400300000000, -0.0000345300000000, 0.0009220500000000 ]- atom: 73 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0000190200000000, 0.0000000000000000, 0.0009089400000000 ] - [ 0.0003170900000000, 0.0000000000000000, 0.0006053600000000 ] - [ 0.0020728900000000, 0.0000000000000000, -0.0047181100000000 ] - [ -0.0020234700000000, 0.0000000000000000, 0.0020662300000000 ] - [ -0.0002185300000000, 0.0000000000000000, 0.0031741800000000 ] - [ -0.0052822500000000, 0.0000000000000000, -0.0144389400000000 ] - [ 0.0000729500000000, 0.0000000000000000, 0.0009068800000000 ] - [ -0.0001755600000000, 0.0000000000000000, 0.0011125500000000 ] - [ 0.0000068000000000, 0.0000000000000000, 0.0007903400000000 ] - [ 0.0001481400000000, 0.0000000000000000, 0.0009643100000000 ] - [ 0.0000335500000000, 0.0000000000000000, 0.0007412200000000 ] - [ -0.0006968100000000, 0.0000000000000000, 0.0009464200000000 ] - [ -0.0018828900000000, 0.0000000000000000, -0.0036366600000000 ] - [ -0.0002561400000000, 0.0000000000000000, -0.0002132800000000 ] - [ 0.0001304800000000, 0.0000000000000000, -0.0001525300000000 ] - [ -0.0003100400000000, 0.0000000000000000, -0.0024261300000000 ] - [ -0.0000005100000000, 0.0000000000000000, 0.0008262800000000 ] - [ 0.0004832700000000, 0.0000000000000000, 0.0008496700000000 ] - [ -0.0000205400000000, 0.0000000000000000, 0.0008243900000000 ] - [ 0.0001624700000000, 0.0000000000000000, 0.0009335400000000 ] - [ -0.0001800600000000, 0.0000000000000000, 0.0014123600000000 ] - [ 0.0002066600000000, 0.0000000000000000, 0.0015717100000000 ] - [ 0.0002757500000000, -0.0000597700000000, 0.0018554100000000 ] - [ 0.0054090600000000, 0.0000000000000000, 0.0035629400000000 ] - [ 0.0002757500000000, 0.0000597700000000, 0.0018554100000000 ] - [ 0.0001919300000000, -0.0000174200000000, -0.0034211000000000 ] - [ -0.0004086200000000, 0.0000000000000000, 0.0019558400000000 ] - [ -0.0024500100000000, 0.0000000000000000, -0.0041852300000000 ] - [ 0.0065972100000000, 0.0182148100000000, -0.0266036200000000 ] - [ -0.0001546000000000, 0.0000000000000000, 0.0009665700000000 ] - [ -0.0007848300000000, 0.0000000000000000, 0.0042505300000000 ] - [ 0.0030759500000000, -0.0001646600000000, 0.0009866100000000 ] - [ -0.0017567500000000, 0.0017715600000000, 0.0008494300000000 ] - [ 0.0064077000000000, 0.0000000000000000, -0.0120401900000000 ] - [ 0.0000641700000000, -0.0001046100000000, 0.0013579500000000 ] - [ -0.0000828500000000, 0.0000000000000000, 0.0013914600000000 ] - [ 0.0000641700000000, 0.0001046100000000, 0.0013579500000000 ] - [ 0.0000322600000000, -0.0000493000000000, 0.0012638700000000 ] - [ 0.0000822200000000, 0.0000482500000000, 0.0013041800000000 ] - [ -0.0000270000000000, 0.0000000000000000, 0.0013439200000000 ] - [ 0.0002729700000000, 0.0000000000000000, 0.0012730500000000 ] - [ 0.0000347000000000, 0.0000000000000000, 0.0013942800000000 ] - [ -0.0001564700000000, 0.0002038900000000, 0.0009451000000000 ] - [ -0.0014759700000000, 0.0000000000000000, -0.0004828700000000 ] - [ -0.0001564700000000, -0.0002038900000000, 0.0009451000000000 ] - [ 0.0065972100000000, -0.0182148100000000, -0.0266036200000000 ] - [ -0.0002500900000000, 0.0000000000000000, 0.0009335700000000 ] - [ 0.0001592200000000, 0.0000000000000000, -0.0028641500000000 ] - [ 0.0001919300000000, 0.0000174200000000, -0.0034211000000000 ] - [ 0.0001343300000000, 0.0000000000000000, 0.0015992700000000 ] - [ 0.0012095400000000, 0.0000000000000000, -0.0000625700000000 ] - [ -0.0017567500000000, -0.0017715600000000, 0.0008494300000000 ] - [ 0.0030759500000000, 0.0001646600000000, 0.0009866100000000 ] - [ 0.0004669200000000, 0.0000000000000000, -0.0033233900000000 ] - [ 0.0002771900000000, -0.0000940300000000, 0.0012240700000000 ] - [ -0.0000760500000000, 0.0000000000000000, 0.0013997400000000 ] - [ 0.0002771900000000, 0.0000940300000000, 0.0012240700000000 ] - [ 0.0000822200000000, -0.0000482500000000, 0.0013041800000000 ] - [ 0.0000322600000000, 0.0000493000000000, 0.0012638700000000 ] - [ 0.0000311100000000, 0.0000000000000000, 0.0014003200000000 ] - [ -0.0003195600000000, 0.0001798900000000, -0.0009630000000000 ] - [ -0.0005757500000000, 0.0000000000000000, -0.0015265700000000 ] - [ 0.0000809700000000, -0.0000935800000000, -0.0008307000000000 ] - [ 0.0001020300000000, 0.0000000000000000, -0.0011162000000000 ] - [ 0.0011514800000000, 0.0000000000000000, -0.0010924500000000 ] - [ -0.0036320500000000, -0.0043551400000000, -0.0047933800000000 ] - [ 0.0001085700000000, 0.0000000000000000, -0.0012839200000000 ] - [ 0.0000954500000000, -0.0003593400000000, -0.0013704100000000 ] - [ -0.0006861100000000, 0.0000000000000000, 0.0083366300000000 ] - [ -0.0036320500000000, 0.0043551400000000, -0.0047933800000000 ] - [ -0.0019398900000000, 0.0000000000000000, 0.0015297000000000 ] - [ 0.0000954500000000, 0.0003593400000000, -0.0013704100000000 ] - [ -0.0151634100000000, 0.0000000000000000, 0.0901334300000000 ] - [ -0.0034628100000000, -0.0051331800000000, -0.0065154300000000 ] - [ 0.0079844800000000, 0.0000000000000000, -0.0074152000000000 ] - [ -0.0003263500000000, -0.0007508600000000, 0.0057692300000000 ] - [ 0.0003704200000000, 0.0000000000000000, -0.0003512400000000 ] - [ 0.0006150900000000, -0.0000898800000000, 0.0010985600000000 ] - [ 0.0009786100000000, 0.0000000000000000, 0.0010892100000000 ] - [ 0.0003998600000000, -0.0004792500000000, 0.0037000600000000 ] - [ -0.0007046800000000, 0.0000000000000000, -0.0015427000000000 ] - [ -0.0000001200000000, 0.0000411300000000, -0.0007928700000000 ] - [ 0.0050176900000000, 0.0000000000000000, -0.0053095500000000 ] - [ 0.0002496600000000, -0.0003456000000000, -0.0010736000000000 ] - [ 0.0002089400000000, 0.0000000000000000, -0.0011770000000000 ] - [ -0.0002857100000000, -0.0001111500000000, -0.0009139300000000 ] - [ 0.0002123800000000, 0.0000000000000000, -0.0009026500000000 ] - [ 0.0002496600000000, 0.0003456000000000, -0.0010736000000000 ] - [ 0.0002313300000000, 0.0000000000000000, -0.0008383600000000 ] - [ -0.0000848800000000, 0.0000998600000000, -0.0008092600000000 ] - [ 0.0001067200000000, 0.0000000000000000, -0.0013227900000000 ] - [ 0.0000238600000000, -0.0000259100000000, -0.0007886700000000 ] - [ -0.0000168100000000, 0.0000000000000000, -0.0009688700000000 ] - [ -0.0000848800000000, -0.0000998600000000, -0.0008092600000000 ] - [ 0.0002977800000000, 0.0000000000000000, -0.0008901900000000 ] - [ -0.0000093400000000, 0.0000398600000000, -0.0008607900000000 ] - [ 0.0000664900000000, 0.0000000000000000, -0.0007723100000000 ] - [ 0.0000797000000000, 0.0000000000000000, -0.0011328400000000 ] - [ -0.0000067100000000, 0.0000197800000000, -0.0007760400000000 ] - [ -0.0000067100000000, -0.0000197800000000, -0.0007760400000000 ] - [ 0.0000809700000000, 0.0000935800000000, -0.0008307000000000 ] - [ 0.0002444400000000, 0.0000000000000000, -0.0001568500000000 ] - [ -0.0003195600000000, -0.0001798900000000, -0.0009630000000000 ] - [ 0.0000056500000000, 0.0000000000000000, -0.0006858100000000 ] - [ -0.0008673900000000, 0.0000000000000000, -0.0015765300000000 ] - [ 0.0007667100000000, 0.0001788900000000, 0.0012916700000000 ] - [ 0.0001612300000000, 0.0000000000000000, -0.0008976400000000 ] - [ -0.0002137800000000, 0.0000517500000000, -0.0000973600000000 ] - [ -0.0002661000000000, 0.0000000000000000, 0.0027132900000000 ] - [ 0.0007667100000000, -0.0001788900000000, 0.0012916700000000 ] - [ 0.0013918500000000, 0.0000000000000000, 0.0007539500000000 ] - [ -0.0002137800000000, -0.0000517500000000, -0.0000973600000000 ] - [ -0.0004730400000000, 0.0000000000000000, 0.0018145100000000 ] - [ 0.0006150900000000, 0.0000898800000000, 0.0010985600000000 ] - [ -0.0013629200000000, 0.0000000000000000, 0.0018769300000000 ] - [ 0.0003998600000000, 0.0004792500000000, 0.0037000600000000 ] - [ -0.0004064300000000, 0.0000000000000000, -0.0016429700000000 ] - [ -0.0034628100000000, 0.0051331800000000, -0.0065154300000000 ] - [ -0.0020673000000000, 0.0000000000000000, 0.0009262700000000 ] - [ -0.0003263500000000, 0.0007508600000000, 0.0057692300000000 ] - [ 0.0009490800000000, 0.0000000000000000, -0.0010074200000000 ] - [ -0.0002857100000000, 0.0001111500000000, -0.0009139300000000 ] - [ -0.0014293000000000, 0.0000000000000000, 0.0018620600000000 ] - [ -0.0002465900000000, 0.0000310600000000, -0.0001591100000000 ] - [ 0.0001434500000000, 0.0000000000000000, -0.0011809300000000 ] - [ -0.0000001200000000, -0.0000411300000000, -0.0007928700000000 ] - [ 0.0000756000000000, 0.0000000000000000, -0.0006212600000000 ] - [ -0.0002465900000000, -0.0000310600000000, -0.0001591100000000 ] - [ 0.0001598100000000, 0.0000000000000000, -0.0008251200000000 ] - [ -0.0000787000000000, 0.0001006400000000, -0.0008062200000000 ] - [ 0.0000930500000000, 0.0000000000000000, -0.0009800400000000 ] - [ -0.0000093400000000, -0.0000398600000000, -0.0008607900000000 ] - [ 0.0000530700000000, 0.0000000000000000, -0.0009724800000000 ] - [ -0.0000787000000000, -0.0001006400000000, -0.0008062200000000 ] - [ 0.0003140500000000, 0.0000000000000000, -0.0008608900000000 ] - [ 0.0000238600000000, 0.0000259100000000, -0.0007886700000000 ] - [ -0.0000125100000000, 0.0000000000000000, -0.0007761900000000 ] - [ 0.0000645200000000, 0.0000000000000000, -0.0011806000000000 ] - [ -0.0000408600000000, 0.0000161100000000, -0.0008657800000000 ] - [ -0.0000408600000000, -0.0000161100000000, -0.0008657800000000 ]- atom: 74 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0000497200000000, -0.0000038100000000, -0.0002104900000000 ] - [ -0.0001595000000000, 0.0000039200000000, -0.0001394600000000 ] - [ -0.0008750900000000, -0.0000738500000000, -0.0009766300000000 ] - [ 0.0002518700000000, -0.0000512900000000, -0.0003507200000000 ] - [ 0.0116717200000000, 0.0009306000000000, -0.0010247000000000 ] - [ 0.0124530700000000, -0.0031052900000000, -0.0027718600000000 ] - [ 0.0005850900000000, 0.0000496600000000, -0.0003913500000000 ] - [ -0.0004839800000000, -0.0009338700000000, 0.0015244200000000 ] - [ -0.0000469300000000, -0.0000011500000000, -0.0001269300000000 ] - [ 0.0001979900000000, -0.0000021700000000, -0.0001046600000000 ] - [ 0.0000248900000000, -0.0000039300000000, -0.0001787400000000 ] - [ -0.0000026200000000, 0.0000011700000000, -0.0001099600000000 ] - [ -0.0005311500000000, 0.0007008600000000, 0.0012045700000000 ] - [ -0.0003617800000000, 0.0000485600000000, 0.0001186800000000 ] - [ -0.0037821000000000, 0.0001901000000000, -0.0009609400000000 ] - [ -0.0031522400000000, -0.0000978700000000, -0.0011884500000000 ] - [ -0.0004030900000000, -0.0000644500000000, 0.0001557600000000 ] - [ -0.0007569300000000, 0.0000754200000000, -0.0012829500000000 ] - [ -0.0000050000000000, -0.0000004400000000, -0.0001754700000000 ] - [ 0.0000259600000000, -0.0000032000000000, -0.0001842400000000 ] - [ 0.0001088500000000, -0.0000002300000000, -0.0001908100000000 ] - [ 0.0000887700000000, -0.0000002300000000, -0.0002314500000000 ] - [ 0.0000944500000000, -0.0001271200000000, -0.0002884500000000 ] - [ -0.0005861500000000, 0.0001458200000000, -0.0005823100000000 ] - [ 0.0000949300000000, 0.0001261300000000, -0.0002954800000000 ] - [ -0.0018117200000000, 0.0000967600000000, 0.0001138300000000 ] - [ 0.0051471200000000, 0.0024106100000000, 0.0024342000000000 ] - [ 0.0231225600000000, -0.0286130500000000, 0.0100725600000000 ] - [ 0.0038705900000000, -0.0005021800000000, -0.0006330000000000 ] - [ -0.0010771900000000, 0.0002101300000000, 0.0009568400000000 ] - [ 0.0000398300000000, -0.0000139400000000, -0.0000062100000000 ] - [ 0.0391515700000000, 0.0038124200000000, 0.0208499200000000 ] - [ -0.0068743900000000, -0.0005166900000000, 0.0030604400000000 ] - [ -0.0028843600000000, -0.0012415500000000, -0.0044471500000000 ] - [ 0.0005101900000000, -0.0001658200000000, 0.0003806300000000 ] - [ -0.0000601100000000, 0.0000014100000000, -0.0000651000000000 ] - [ 0.0003981500000000, 0.0001657400000000, 0.0001998100000000 ] - [ -0.0000174300000000, 0.0000224700000000, -0.0002158200000000 ] - [ 0.0000550600000000, -0.0000183400000000, -0.0002214700000000 ] - [ -0.0001562100000000, 0.0000141800000000, -0.0000740800000000 ] - [ 0.0000192700000000, 0.0000005200000000, -0.0001975400000000 ] - [ 0.0000617500000000, 0.0000001600000000, -0.0001773700000000 ] - [ -0.0000549600000000, -0.0001621600000000, -0.0000995000000000 ] - [ 0.0000560800000000, -0.0001426700000000, 0.0005280000000000 ] - [ -0.0000478500000000, 0.0001621900000000, -0.0000865200000000 ] - [ 0.0030911600000000, 0.0005619600000000, -0.0010400600000000 ] - [ -0.0029657200000000, -0.0000653500000000, -0.0007296300000000 ] - [ -0.0073268400000000, -0.0006059100000000, 0.0017658600000000 ] - [ -0.0016171200000000, -0.0001059800000000, 0.0001942700000000 ] - [ 0.0010667500000000, -0.0005726300000000, -0.0028077000000000 ] - [ -0.0004055300000000, -0.0000227500000000, -0.0002367000000000 ] - [ -0.0035599100000000, 0.0005904800000000, 0.0037967200000000 ] - [ 0.0036246100000000, 0.0006797900000000, -0.0018230100000000 ] - [ -0.0019686000000000, -0.0020349800000000, 0.0057117900000000 ] - [ -0.0003998400000000, 0.0000521200000000, -0.0006058200000000 ] - [ -0.0000103300000000, -0.0000033900000000, -0.0003464600000000 ] - [ -0.0003009400000000, -0.0000593500000000, -0.0005380900000000 ] - [ 0.0000561700000000, 0.0000183100000000, -0.0002199000000000 ] - [ -0.0000171900000000, -0.0000225100000000, -0.0002168100000000 ] - [ 0.0002908100000000, 0.0000019500000000, -0.0003234800000000 ] - [ 0.0000194600000000, 0.0001211100000000, 0.0001493800000000 ] - [ -0.0000668600000000, -0.0000190900000000, 0.0005496500000000 ] - [ -0.0000395800000000, -0.0001378800000000, 0.0000788800000000 ] - [ -0.0000841000000000, 0.0000011700000000, 0.0001412700000000 ] - [ -0.0001097200000000, -0.0000060000000000, -0.0000589500000000 ] - [ 0.0002527800000000, -0.0002625000000000, 0.0011036500000000 ] - [ 0.0000370900000000, -0.0000024200000000, 0.0000171000000000 ] - [ -0.0002102600000000, -0.0000282100000000, 0.0000824700000000 ] - [ -0.0015954000000000, -0.0019031200000000, 0.0050641400000000 ] - [ 0.0000273200000000, 0.0001530200000000, 0.0007508100000000 ] - [ 0.0005834800000000, -0.0000199700000000, 0.0000882200000000 ] - [ -0.0001817600000000, 0.0000223300000000, 0.0000871800000000 ] - [ -0.0020228500000000, 0.0017606800000000, 0.0037256300000000 ] - [ -0.1085548600000000, 0.0340439300000000, -0.0296885800000000 ] - [ -0.0008852500000000, -0.0003204500000000, -0.0003771800000000 ] - [ 0.0004039200000000, -0.0000154700000000, -0.0065932400000000 ] - [ 0.0019228100000000, -0.0001881400000000, -0.0011883000000000 ] - [ 0.0037087500000000, 0.0006845500000000, 0.0002218500000000 ] - [ 0.0091792600000000, -0.0042211700000000, -0.0017306000000000 ] - [ 0.0014885200000000, -0.0002674700000000, 0.0011549700000000 ] - [ -0.0033669500000000, 0.0034179800000000, 0.0041323300000000 ] - [ 0.0003029500000000, 0.0000646900000000, -0.0009232700000000 ] - [ 0.0085540200000000, 0.0051673800000000, -0.0009492000000000 ] - [ 0.0025417600000000, -0.0002489000000000, -0.0072261700000000 ] - [ 0.0000731400000000, 0.0000184600000000, -0.0000903100000000 ] - [ 0.0000651800000000, 0.0001305400000000, 0.0008073100000000 ] - [ -0.0011492000000000, 0.0002196400000000, -0.0000094000000000 ] - [ -0.0014795200000000, 0.0003852200000000, -0.0017753000000000 ] - [ 0.0000292000000000, -0.0000163300000000, -0.0000769900000000 ] - [ 0.0000052800000000, 0.0000147100000000, 0.0000629300000000 ] - [ -0.0007396800000000, -0.0001869200000000, -0.0005087200000000 ] - [ 0.0003409400000000, 0.0000941300000000, 0.0000760600000000 ] - [ -0.0000241000000000, -0.0000000700000000, 0.0002680700000000 ] - [ 0.0000060400000000, -0.0000140800000000, 0.0000642900000000 ] - [ 0.0000843700000000, 0.0000017800000000, 0.0000963400000000 ] - [ -0.0000795100000000, -0.0000244500000000, 0.0000510500000000 ] - [ -0.0000129300000000, 0.0000001200000000, 0.0002302100000000 ] - [ 0.0000483300000000, -0.0000002700000000, 0.0001192500000000 ] - [ 0.0000685600000000, 0.0000264000000000, 0.0001262800000000 ] - [ 0.0000682700000000, -0.0000264500000000, 0.0001251700000000 ] - [ -0.0000398100000000, 0.0001381000000000, 0.0000789000000000 ] - [ -0.0001427100000000, 0.0000055800000000, 0.0001261700000000 ] - [ 0.0000159200000000, -0.0001219700000000, 0.0001470500000000 ] - [ -0.0000055800000000, 0.0000011400000000, 0.0000813700000000 ] - [ -0.0000554000000000, 0.0000184600000000, 0.0002226800000000 ] - [ 0.0002668100000000, 0.0000313800000000, -0.0005280100000000 ] - [ 0.0000982400000000, -0.0000017800000000, -0.0000212300000000 ] - [ 0.0000816500000000, 0.0000238800000000, 0.0000507400000000 ] - [ 0.0012834500000000, -0.0000359200000000, -0.0011241900000000 ] - [ 0.0000551100000000, -0.0000321200000000, -0.0002694400000000 ] - [ -0.0010383800000000, 0.0002543800000000, 0.0000217000000000 ] - [ 0.0000712000000000, -0.0000241300000000, 0.0000739600000000 ] - [ 0.0019161700000000, 0.0000436200000000, -0.0009404300000000 ] - [ 0.0053164400000000, -0.0010050900000000, 0.0005287000000000 ] - [ 0.0004959200000000, 0.0000099300000000, 0.0002341200000000 ] - [ 0.0014195700000000, 0.0003569300000000, 0.0011454700000000 ] - [ -0.0027432200000000, -0.0042618800000000, 0.0064183600000000 ] - [ -0.0066280000000000, -0.0025624900000000, -0.0013245000000000 ] - [ 0.0132486400000000, -0.0095774100000000, -0.0015302000000000 ] - [ -0.0017730000000000, -0.0000866100000000, -0.0018226300000000 ] - [ 0.0022445800000000, 0.0001894700000000, -0.0011594100000000 ] - [ 0.0002911600000000, -0.0001887500000000, 0.0011607200000000 ] - [ 0.0068837100000000, 0.0067352800000000, -0.0014987200000000 ] - [ 0.0018916800000000, 0.0001427000000000, 0.0017362000000000 ] - [ 0.0001821900000000, -0.0000347000000000, 0.0004154500000000 ] - [ 0.0000894600000000, -0.0000548000000000, -0.0005112700000000 ] - [ 0.0007917000000000, -0.0000427800000000, 0.0002134400000000 ] - [ 0.0018885700000000, -0.0000530900000000, 0.0014368200000000 ] - [ 0.0000393600000000, 0.0000253200000000, 0.0003365800000000 ] - [ 0.0000674200000000, -0.0000095300000000, 0.0001587700000000 ] - [ 0.0005773000000000, 0.0000302500000000, 0.0004629700000000 ] - [ -0.0001109200000000, 0.0000188600000000, 0.0000370500000000 ] - [ -0.0000226700000000, -0.0000001600000000, 0.0002763700000000 ] - [ 0.0000638100000000, 0.0000084300000000, 0.0001570700000000 ] - [ 0.0001914500000000, 0.0000003600000000, 0.0000459400000000 ] - [ 0.0003142300000000, -0.0000930900000000, 0.0000978600000000 ] - [ -0.0000179900000000, 0.0000000000000000, 0.0002271400000000 ] - [ -0.0000228500000000, -0.0000015100000000, 0.0001612600000000 ] - [ 0.0000498000000000, 0.0000241200000000, 0.0001544700000000 ] - [ 0.0000499000000000, -0.0000241500000000, 0.0001535600000000 ]- atom: 74 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0000154300000000, -0.0000035700000000, 0.0000565800000000 ] - [ 0.0000061100000000, -0.0000030700000000, 0.0001065500000000 ] - [ 0.0007692100000000, 0.0000765300000000, 0.0009585300000000 ] - [ -0.0004505800000000, 0.0000523100000000, 0.0004402000000000 ] - [ -0.0115814400000000, -0.0006720900000000, 0.0007519800000000 ] - [ -0.0124633400000000, 0.0033287700000000, 0.0029545200000000 ] - [ -0.0005390200000000, -0.0000495700000000, 0.0004283400000000 ] - [ 0.0004899700000000, 0.0009341900000000, -0.0015829700000000 ] - [ -0.0000010300000000, -0.0000001700000000, 0.0000518600000000 ] - [ 0.0000463800000000, 0.0000023300000000, 0.0000622100000000 ] - [ 0.0000404700000000, -0.0000034300000000, 0.0000245600000000 ] - [ -0.0001520800000000, -0.0000003200000000, 0.0000774900000000 ] - [ 0.0004078100000000, -0.0006981300000000, -0.0012225300000000 ] - [ 0.0001633900000000, -0.0000478900000000, -0.0000326400000000 ] - [ 0.0037688600000000, -0.0001928300000000, 0.0009414000000000 ] - [ 0.0032213200000000, 0.0000982600000000, 0.0011705000000000 ] - [ 0.0004467400000000, 0.0000645100000000, -0.0001159400000000 ] - [ 0.0007500000000000, -0.0000739000000000, 0.0012213900000000 ] - [ -0.0000432100000000, -0.0000007700000000, 0.0001005100000000 ] - [ 0.0002180600000000, 0.0000033800000000, 0.0001416500000000 ] - [ 0.0000143300000000, 0.0000002500000000, 0.0001575100000000 ] - [ 0.0000723800000000, 0.0000004300000000, 0.0002252000000000 ] - [ -0.0000606200000000, -0.0001735800000000, 0.0002623300000000 ] - [ 0.0002809400000000, -0.0001470200000000, 0.0007078300000000 ] - [ -0.0000606300000000, 0.0001740300000000, 0.0002736900000000 ] - [ 0.0017418400000000, 0.0000846500000000, -0.0001404000000000 ] - [ -0.0051278500000000, -0.0024128400000000, -0.0023999500000000 ] - [ -0.0231650200000000, 0.0277936000000000, -0.0097368200000000 ] - [ -0.0039463800000000, 0.0003227700000000, 0.0006355100000000 ] - [ 0.0011822500000000, -0.0002098700000000, -0.0010741400000000 ] - [ -0.0003841900000000, 0.0000143300000000, 0.0000168600000000 ] - [ -0.0410937900000000, -0.0041004100000000, -0.0225892100000000 ] - [ 0.0068928600000000, 0.0005970300000000, -0.0030557500000000 ] - [ 0.0027641300000000, 0.0012227700000000, 0.0044723200000000 ] - [ -0.0002370200000000, 0.0001367100000000, -0.0004146700000000 ] - [ -0.0000173600000000, -0.0000016100000000, 0.0000534200000000 ] - [ -0.0001251600000000, -0.0001366300000000, -0.0002359900000000 ] - [ 0.0000661100000000, 0.0000019700000000, 0.0001328800000000 ] - [ -0.0000060900000000, -0.0000059300000000, 0.0001371300000000 ] - [ 0.0002474600000000, -0.0000136600000000, 0.0000483800000000 ] - [ 0.0001044700000000, -0.0000006500000000, 0.0001640300000000 ] - [ 0.0000993000000000, 0.0000001200000000, 0.0001702500000000 ] - [ 0.0000887700000000, -0.0001380600000000, 0.0000723800000000 ] - [ -0.0003705000000000, 0.0001426300000000, -0.0004042300000000 ] - [ 0.0000817100000000, 0.0001381500000000, 0.0000635300000000 ] - [ -0.0031727400000000, -0.0003826800000000, 0.0010315900000000 ] - [ 0.0029577400000000, 0.0000684100000000, 0.0007770700000000 ] - [ 0.0072479100000000, 0.0006148400000000, -0.0017221000000000 ] - [ 0.0015488100000000, -0.0000754300000000, -0.0002203300000000 ] - [ -0.0009563200000000, 0.0005724000000000, 0.0026707100000000 ] - [ 0.0000639600000000, 0.0000229900000000, 0.0002436700000000 ] - [ 0.0036090900000000, -0.0006716600000000, -0.0037989400000000 ] - [ -0.0036382700000000, -0.0006019400000000, 0.0018157200000000 ] - [ 0.0018314200000000, 0.0020359500000000, -0.0056844400000000 ] - [ 0.0006681000000000, -0.0000810600000000, 0.0005703900000000 ] - [ -0.0000674100000000, 0.0000034800000000, 0.0003342100000000 ] - [ 0.0005694400000000, 0.0000882900000000, 0.0005008500000000 ] - [ -0.0000073900000000, 0.0000059000000000, 0.0001367700000000 ] - [ 0.0000659700000000, -0.0000018800000000, 0.0001325100000000 ] - [ -0.0001998400000000, -0.0000019200000000, 0.0002967600000000 ] - [ -0.0000696100000000, 0.0001451100000000, -0.0001554700000000 ] - [ -0.0001371700000000, 0.0000192500000000, -0.0002680100000000 ] - [ -0.0000104500000000, -0.0001288100000000, -0.0000861700000000 ] - [ 0.0000215700000000, -0.0000010700000000, -0.0001590100000000 ] - [ -0.0000386300000000, 0.0000059000000000, -0.0000167900000000 ] - [ -0.0003823000000000, 0.0002440600000000, -0.0010188800000000 ] - [ 0.0001127700000000, 0.0000024800000000, -0.0002548000000000 ] - [ 0.0000994300000000, 0.0000254200000000, -0.0001073000000000 ] - [ 0.0012739600000000, 0.0019013100000000, -0.0049137900000000 ] - [ -0.0001571000000000, -0.0001337100000000, -0.0006674200000000 ] - [ -0.0006779200000000, 0.0000203100000000, -0.0000645700000000 ] - [ 0.0000709100000000, -0.0000197400000000, -0.0001136300000000 ] - [ 0.0019358800000000, -0.0017682700000000, -0.0038093800000000 ] - [ 0.1105059400000000, -0.0336477300000000, 0.0310475500000000 ] - [ 0.0008440900000000, 0.0003206900000000, 0.0002789100000000 ] - [ -0.0003659700000000, 0.0002425700000000, 0.0066512000000000 ] - [ -0.0017930600000000, 0.0001891200000000, 0.0012061200000000 ] - [ -0.0037284900000000, -0.0005648300000000, -0.0003596300000000 ] - [ -0.0091360500000000, 0.0041770500000000, 0.0017692600000000 ] - [ -0.0014731900000000, 0.0000456600000000, -0.0011140900000000 ] - [ 0.0032269900000000, -0.0034302200000000, -0.0040953800000000 ] - [ -0.0003590100000000, -0.0000347500000000, 0.0008509700000000 ] - [ -0.0086299800000000, -0.0050926300000000, 0.0007791100000000 ] - [ -0.0024722100000000, 0.0002593200000000, 0.0073870700000000 ] - [ 0.0001877600000000, -0.0000185200000000, 0.0000287900000000 ] - [ -0.0001179100000000, -0.0001598200000000, -0.0008753800000000 ] - [ 0.0011704800000000, -0.0002194900000000, 0.0000890300000000 ] - [ 0.0015402000000000, -0.0003921700000000, 0.0019768300000000 ] - [ 0.0000509300000000, 0.0000163900000000, 0.0000965500000000 ] - [ 0.0000331500000000, 0.0000225300000000, -0.0000634200000000 ] - [ 0.0007883100000000, 0.0001866900000000, 0.0005415300000000 ] - [ -0.0001163800000000, 0.0000253500000000, -0.0001181200000000 ] - [ -0.0000091300000000, 0.0000002400000000, -0.0000191500000000 ] - [ 0.0000324300000000, -0.0000231000000000, -0.0000657200000000 ] - [ 0.0002382100000000, -0.0000014800000000, -0.0001774100000000 ] - [ 0.0003025000000000, -0.0000956700000000, -0.0000943700000000 ] - [ -0.0000079500000000, -0.0000002700000000, -0.0000062800000000 ] - [ -0.0000117500000000, 0.0000003100000000, -0.0001397600000000 ] - [ 0.0000289100000000, 0.0000265000000000, -0.0000665800000000 ] - [ 0.0000285500000000, -0.0000264700000000, -0.0000679300000000 ] - [ -0.0000095100000000, 0.0001286700000000, -0.0000851300000000 ] - [ -0.0000596900000000, -0.0000056300000000, 0.0001574200000000 ] - [ -0.0000665000000000, -0.0001443000000000, -0.0001543800000000 ] - [ -0.0000568200000000, -0.0000010100000000, -0.0000985400000000 ] - [ -0.0000947200000000, -0.0000187200000000, -0.0002988900000000 ] - [ -0.0003901900000000, -0.0000510700000000, 0.0006189700000000 ] - [ 0.0000518300000000, 0.0000018900000000, -0.0002158700000000 ] - [ -0.0001928600000000, -0.0000261400000000, -0.0000743400000000 ] - [ -0.0015862800000000, 0.0000342100000000, 0.0012946900000000 ] - [ -0.0001788300000000, 0.0000517200000000, 0.0003581400000000 ] - [ 0.0009498800000000, -0.0002544000000000, -0.0000031900000000 ] - [ -0.0001825100000000, 0.0000262800000000, -0.0000991200000000 ] - [ -0.0019752400000000, -0.0000427500000000, 0.0008853200000000 ] - [ -0.0053364900000000, 0.0008888400000000, -0.0006643300000000 ] - [ -0.0005413200000000, -0.0000101900000000, -0.0003282500000000 ] - [ -0.0014073100000000, -0.0001341300000000, -0.0011032100000000 ] - [ 0.0029205300000000, 0.0042790400000000, -0.0063944000000000 ] - [ 0.0066239700000000, 0.0026343500000000, 0.0012032100000000 ] - [ -0.0134347300000000, 0.0097358900000000, 0.0016071200000000 ] - [ 0.0018024300000000, -0.0001397300000000, 0.0018566300000000 ] - [ -0.0024121400000000, -0.0001911400000000, 0.0011877600000000 ] - [ -0.0003440800000000, 0.0002184900000000, -0.0012262200000000 ] - [ -0.0071146400000000, -0.0068325700000000, 0.0013569000000000 ] - [ -0.0018106400000000, -0.0001378500000000, -0.0015398000000000 ] - [ 0.0000798000000000, 0.0000346500000000, -0.0004752800000000 ] - [ -0.0001462400000000, 0.0000248500000000, 0.0004380000000000 ] - [ -0.0007647800000000, 0.0000430300000000, -0.0001355300000000 ] - [ -0.0017770700000000, 0.0000493500000000, -0.0012168100000000 ] - [ 0.0000425100000000, -0.0000252700000000, -0.0003163200000000 ] - [ -0.0000285400000000, 0.0000469300000000, -0.0001590600000000 ] - [ -0.0005240700000000, -0.0000304200000000, -0.0004319600000000 ] - [ 0.0003340800000000, 0.0001015300000000, -0.0000780800000000 ] - [ -0.0000101300000000, 0.0000002900000000, -0.0000272900000000 ] - [ -0.0000250800000000, -0.0000458700000000, -0.0001584800000000 ] - [ 0.0001313000000000, -0.0000002300000000, -0.0001271000000000 ] - [ -0.0000896800000000, -0.0000265200000000, -0.0001420700000000 ] - [ -0.0000035200000000, -0.0000001700000000, -0.0000029600000000 ] - [ 0.0000586800000000, 0.0000012200000000, -0.0001816900000000 ] - [ 0.0000474200000000, 0.0000289500000000, -0.0000946800000000 ] - [ 0.0000470000000000, -0.0000289500000000, -0.0000963500000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000278300000000, -0.0000038700000000, 0.0000212500000000 ] - [ -0.0000447300000000, 0.0000010400000000, 0.0000678200000000 ] - [ 0.0013138000000000, 0.0001432300000000, 0.0006562700000000 ] - [ -0.0000765300000000, 0.0000254100000000, 0.0002973400000000 ] - [ 0.0024908200000000, 0.0088892200000000, -0.0045257000000000 ] - [ -0.0036096800000000, 0.0094672500000000, 0.0042045800000000 ] - [ -0.0001870300000000, -0.0000208900000000, 0.0000972400000000 ] - [ -0.0001124800000000, 0.0000491000000000, -0.0001724200000000 ] - [ -0.0000236000000000, -0.0000009500000000, 0.0000461200000000 ] - [ 0.0000965000000000, -0.0000006600000000, 0.0000712800000000 ] - [ 0.0000314600000000, -0.0000040400000000, 0.0000089100000000 ] - [ -0.0001000800000000, 0.0000022100000000, 0.0000838900000000 ] - [ -0.0001650000000000, 0.0000532800000000, -0.0001529200000000 ] - [ -0.0000745100000000, 0.0000024000000000, 0.0000807900000000 ] - [ -0.0005465400000000, 0.0000842300000000, -0.0007712000000000 ] - [ 0.0012063700000000, 0.0001266800000000, 0.0007057800000000 ] - [ 0.0000526100000000, 0.0000004900000000, 0.0000458900000000 ] - [ -0.0007884900000000, 0.0000600300000000, -0.0006512200000000 ] - [ -0.0000272100000000, -0.0000011000000000, 0.0000571500000000 ] - [ 0.0001464600000000, -0.0000002600000000, 0.0000736600000000 ] - [ 0.0000405700000000, -0.0000007600000000, 0.0001256300000000 ] - [ 0.0000882600000000, 0.0000003000000000, 0.0001615800000000 ] - [ 0.0000134400000000, -0.0001697900000000, 0.0001544700000000 ] - [ -0.0000200500000000, -0.0000684700000000, 0.0000230800000000 ] - [ 0.0000177500000000, 0.0001690500000000, 0.0001637700000000 ] - [ 0.0000805200000000, 0.0002760400000000, -0.0001551300000000 ] - [ 0.0016436400000000, -0.0005285500000000, -0.0020967600000000 ] - [ -0.0312294500000000, 0.0640200000000000, -0.0220223500000000 ] - [ -0.0005055800000000, 0.0024166400000000, 0.0003222000000000 ] - [ 0.0001086900000000, -0.0000044400000000, -0.0003478200000000 ] - [ -0.0002708400000000, -0.0000082100000000, 0.0000335200000000 ] - [ 0.0053827800000000, 0.0096389000000000, 0.0035580300000000 ] - [ 0.0004709300000000, 0.0025078400000000, -0.0006546600000000 ] - [ -0.0018520500000000, -0.0005531300000000, -0.0015093700000000 ] - [ 0.0000426100000000, 0.0002169000000000, 0.0000737200000000 ] - [ -0.0000433800000000, -0.0000001700000000, 0.0001378400000000 ] - [ 0.0000418700000000, -0.0002144000000000, 0.0000764000000000 ] - [ 0.0000382700000000, 0.0000104300000000, 0.0000958900000000 ] - [ 0.0000224700000000, -0.0000090500000000, 0.0001020000000000 ] - [ 0.0000801700000000, 0.0000001800000000, 0.0000988700000000 ] - [ 0.0000687300000000, -0.0000012100000000, 0.0001223800000000 ] - [ 0.0000873000000000, 0.0000002600000000, 0.0001453500000000 ] - [ 0.0000232700000000, -0.0001644100000000, 0.0000981300000000 ] - [ -0.0004133100000000, -0.0000071800000000, 0.0001290500000000 ] - [ 0.0000242700000000, 0.0001641000000000, 0.0001005400000000 ] - [ -0.0007572300000000, -0.0025322700000000, 0.0003403700000000 ] - [ 0.0004642700000000, 0.0000158700000000, 0.0001749800000000 ] - [ 0.0022443900000000, 0.0002670400000000, -0.0010167900000000 ] - [ 0.0001296400000000, -0.0002749500000000, -0.0001251100000000 ] - [ -0.0001109000000000, 0.0003351100000000, 0.0023193900000000 ] - [ -0.0001105900000000, 0.0000016200000000, 0.0001004200000000 ] - [ 0.0004553000000000, -0.0026199000000000, -0.0008704700000000 ] - [ -0.0004172400000000, -0.0065397000000000, -0.0005656300000000 ] - [ -0.0013964100000000, -0.0005543300000000, 0.0021248800000000 ] - [ 0.0003685200000000, 0.0000133900000000, 0.0001697600000000 ] - [ -0.0000437100000000, 0.0000012700000000, 0.0001870700000000 ] - [ 0.0003262000000000, -0.0000038200000000, 0.0001382100000000 ] - [ 0.0000225500000000, 0.0000080200000000, 0.0001026300000000 ] - [ 0.0000378300000000, -0.0000105500000000, 0.0000948700000000 ] - [ 0.0000266400000000, 0.0000014000000000, 0.0001868300000000 ] - [ -0.0000473900000000, 0.0001460400000000, -0.0001087800000000 ] - [ -0.0001328100000000, 0.0000122000000000, -0.0000800500000000 ] - [ -0.0000257100000000, -0.0001411700000000, -0.0000927600000000 ] - [ -0.0000092100000000, -0.0000000100000000, -0.0001222400000000 ] - [ -0.0000711500000000, 0.0000001900000000, -0.0000685000000000 ] - [ -0.0002592300000000, 0.0007144100000000, -0.0003664500000000 ] - [ 0.0000795100000000, -0.0000005300000000, -0.0002211100000000 ] - [ -0.0000314800000000, 0.0000153300000000, -0.0001180600000000 ] - [ -0.0011166700000000, 0.0020358100000000, -0.0060467700000000 ] - [ -0.0002024800000000, -0.0004884500000000, -0.0002224400000000 ] - [ -0.0002252700000000, 0.0000164100000000, 0.0000761000000000 ] - [ -0.0000368600000000, -0.0000187300000000, -0.0001081500000000 ] - [ 0.0012822100000000, 0.0017450700000000, 0.0048774900000000 ] - [ 0.0326596100000000, -0.1323066100000000, 0.0220502600000000 ] - [ -0.0001944500000000, -0.0000411300000000, 0.0001774500000000 ] - [ 0.0001446500000000, -0.0018697000000000, 0.0002948900000000 ] - [ -0.0002893800000000, -0.0000239900000000, 0.0006985100000000 ] - [ -0.0006289200000000, -0.0009333000000000, -0.0000406300000000 ] - [ -0.0064869900000000, 0.0020887200000000, 0.0013319400000000 ] - [ -0.0001417600000000, -0.0006936900000000, 0.0000538300000000 ] - [ 0.0015010400000000, 0.0021095600000000, 0.0042047400000000 ] - [ 0.0000132700000000, -0.0000566500000000, 0.0000260200000000 ] - [ 0.0048522900000000, 0.0017460400000000, -0.0002642000000000 ] - [ 0.0002681600000000, -0.0019790700000000, 0.0002249600000000 ] - [ 0.0001865400000000, 0.0000002900000000, -0.0001657700000000 ] - [ -0.0001668200000000, -0.0005130500000000, -0.0002720400000000 ] - [ 0.0005915200000000, -0.0000470300000000, -0.0003870700000000 ] - [ 0.0004185200000000, 0.0011222300000000, 0.0000498000000000 ] - [ 0.0000369800000000, 0.0000002200000000, -0.0000064300000000 ] - [ 0.0000153000000000, 0.0000268600000000, -0.0000792200000000 ] - [ -0.0000673900000000, -0.0000032800000000, 0.0003739500000000 ] - [ 0.0000727200000000, 0.0000460300000000, -0.0000831700000000 ] - [ -0.0000133100000000, -0.0000001200000000, 0.0000046300000000 ] - [ 0.0000151700000000, -0.0000273100000000, -0.0000793200000000 ] - [ 0.0001889300000000, -0.0000003700000000, -0.0001408600000000 ] - [ 0.0001414000000000, -0.0000833500000000, -0.0001084800000000 ] - [ -0.0000085400000000, -0.0000004300000000, 0.0000196000000000 ] - [ 0.0000175800000000, -0.0000004200000000, -0.0001103800000000 ] - [ 0.0000421200000000, 0.0000258700000000, -0.0000559700000000 ] - [ 0.0000418400000000, -0.0000263500000000, -0.0000570300000000 ] - [ -0.0000250100000000, 0.0001405000000000, -0.0000929000000000 ] - [ -0.0000490100000000, 0.0000002100000000, 0.0000152400000000 ] - [ -0.0000465500000000, -0.0001459700000000, -0.0001074500000000 ] - [ -0.0000197400000000, -0.0000001600000000, -0.0001006900000000 ] - [ -0.0000906100000000, -0.0000075800000000, -0.0001351600000000 ] - [ -0.0000092900000000, -0.0000790600000000, 0.0000908800000000 ] - [ 0.0000690200000000, -0.0000002700000000, -0.0001986700000000 ] - [ -0.0000814700000000, -0.0000085500000000, -0.0000647900000000 ] - [ -0.0004624800000000, -0.0000321900000000, 0.0008044200000000 ] - [ -0.0000201800000000, 0.0000783000000000, 0.0000973800000000 ] - [ 0.0004984600000000, -0.0000321700000000, -0.0004463300000000 ] - [ -0.0000818800000000, 0.0000075800000000, -0.0000641400000000 ] - [ 0.0001538200000000, -0.0000165700000000, -0.0002126500000000 ] - [ -0.0009501700000000, 0.0013981100000000, -0.0001080100000000 ] - [ -0.0000958600000000, -0.0000132600000000, -0.0000884700000000 ] - [ -0.0002292300000000, 0.0007476700000000, -0.0000002800000000 ] - [ -0.0027769700000000, 0.0035635600000000, -0.0089585000000000 ] - [ 0.0025708400000000, 0.0293761000000000, 0.0018854500000000 ] - [ -0.0098023400000000, 0.0036038100000000, 0.0005382500000000 ] - [ 0.0000215200000000, 0.0010102800000000, 0.0005064200000000 ] - [ -0.0000540000000000, -0.0000448600000000, -0.0001813800000000 ] - [ -0.0002746700000000, 0.0007398500000000, -0.0003945200000000 ] - [ 0.0042712800000000, 0.0021144100000000, 0.0002433900000000 ] - [ -0.0001012600000000, 0.0008434000000000, 0.0001679200000000 ] - [ 0.0000831300000000, 0.0000136300000000, -0.0002669000000000 ] - [ 0.0000161700000000, 0.0000557800000000, 0.0000132500000000 ] - [ -0.0001731100000000, 0.0000110500000000, 0.0000986100000000 ] - [ -0.0000133600000000, -0.0006159800000000, 0.0002127900000000 ] - [ 0.0000377100000000, -0.0000039400000000, -0.0000931300000000 ] - [ -0.0000030800000000, 0.0000329500000000, -0.0000959300000000 ] - [ -0.0000510700000000, -0.0000057900000000, -0.0000067500000000 ] - [ 0.0001468300000000, 0.0000812300000000, -0.0001106300000000 ] - [ -0.0000130700000000, -0.0000001500000000, 0.0000039400000000 ] - [ -0.0000022000000000, -0.0000325600000000, -0.0000950800000000 ] - [ 0.0001742200000000, -0.0000000300000000, -0.0001247700000000 ] - [ 0.0000737800000000, -0.0000465800000000, -0.0000841200000000 ] - [ -0.0000084700000000, -0.0000004200000000, 0.0000190300000000 ] - [ 0.0000298200000000, -0.0000002600000000, -0.0001330200000000 ] - [ 0.0000425500000000, 0.0000253500000000, -0.0000661200000000 ] - [ 0.0000422500000000, -0.0000258400000000, -0.0000670900000000 ]- atom: 74 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000382500000000, -0.0000038500000000, -0.0001775300000000 ] - [ -0.0001118500000000, -0.0000006300000000, -0.0001010800000000 ] - [ -0.0014391100000000, -0.0001423900000000, -0.0006785800000000 ] - [ -0.0001209900000000, -0.0000247900000000, -0.0002124000000000 ] - [ -0.0020791200000000, -0.0083112400000000, 0.0039359200000000 ] - [ 0.0032802400000000, -0.0088710400000000, -0.0036008200000000 ] - [ 0.0002305400000000, 0.0000209600000000, -0.0000601400000000 ] - [ 0.0001171900000000, -0.0000405400000000, 0.0001113300000000 ] - [ -0.0000258100000000, -0.0000009200000000, -0.0001237100000000 ] - [ 0.0001477300000000, 0.0000003900000000, -0.0001155300000000 ] - [ 0.0000347200000000, -0.0000036600000000, -0.0001654100000000 ] - [ -0.0000560800000000, -0.0000021300000000, -0.0001178500000000 ] - [ 0.0000466600000000, -0.0000443300000000, 0.0001375100000000 ] - [ -0.0001247900000000, -0.0000015400000000, 0.0000063000000000 ] - [ 0.0005244900000000, -0.0000826500000000, 0.0007435800000000 ] - [ -0.0011444600000000, -0.0001252900000000, -0.0007168300000000 ] - [ -0.0000092400000000, -0.0000000600000000, -0.0000083400000000 ] - [ 0.0007882700000000, -0.0000589000000000, 0.0005866600000000 ] - [ -0.0000220500000000, -0.0000006100000000, -0.0001345700000000 ] - [ 0.0000978200000000, 0.0000001600000000, -0.0001180700000000 ] - [ 0.0000787500000000, 0.0000003300000000, -0.0001616800000000 ] - [ 0.0000749600000000, -0.0000006200000000, -0.0001747100000000 ] - [ 0.0000240900000000, -0.0001281400000000, -0.0001832100000000 ] - [ -0.0002942400000000, 0.0000670000000000, 0.0000993700000000 ] - [ 0.0000204000000000, 0.0001274700000000, -0.0001880200000000 ] - [ -0.0001556200000000, -0.0000957100000000, 0.0001350300000000 ] - [ -0.0016391600000000, 0.0005087700000000, 0.0021536300000000 ] - [ 0.0332032500000000, -0.0672260600000000, 0.0235225800000000 ] - [ 0.0004554100000000, -0.0026080200000000, -0.0003335000000000 ] - [ -0.0000042400000000, 0.0000018700000000, 0.0002244000000000 ] - [ -0.0000673900000000, 0.0000076900000000, -0.0000242200000000 ] - [ -0.0051422700000000, -0.0096464000000000, -0.0034387000000000 ] - [ -0.0004127500000000, -0.0024365600000000, 0.0006501100000000 ] - [ 0.0017235300000000, 0.0005573600000000, 0.0015709700000000 ] - [ 0.0002289200000000, -0.0002449600000000, -0.0001119600000000 ] - [ -0.0000376600000000, -0.0000002800000000, -0.0001527500000000 ] - [ 0.0002308800000000, 0.0002415800000000, -0.0001146500000000 ] - [ 0.0000117500000000, 0.0000155000000000, -0.0001814000000000 ] - [ 0.0000274500000000, -0.0000176200000000, -0.0001889900000000 ] - [ 0.0000155100000000, -0.0000005100000000, -0.0001228000000000 ] - [ 0.0000500900000000, 0.0000007400000000, -0.0001585400000000 ] - [ 0.0000758900000000, -0.0000005100000000, -0.0001585400000000 ] - [ 0.0000141000000000, -0.0001335300000000, -0.0001261000000000 ] - [ 0.0001027800000000, 0.0000047100000000, -0.0000033000000000 ] - [ 0.0000132800000000, 0.0001331100000000, -0.0001242700000000 ] - [ 0.0006932400000000, 0.0027221000000000, -0.0003707100000000 ] - [ -0.0004671700000000, -0.0000172900000000, -0.0001323400000000 ] - [ -0.0023513600000000, -0.0002702700000000, 0.0010731200000000 ] - [ -0.0002026500000000, 0.0000938700000000, 0.0001055100000000 ] - [ 0.0002120300000000, -0.0003375200000000, -0.0024570800000000 ] - [ -0.0002296100000000, -0.0000020300000000, -0.0000921400000000 ] - [ -0.0004198100000000, 0.0025475100000000, 0.0008589200000000 ] - [ 0.0005225400000000, 0.0066244300000000, 0.0005885700000000 ] - [ 0.0012839700000000, 0.0005341500000000, -0.0020618300000000 ] - [ -0.0000977200000000, -0.0000413200000000, -0.0002069500000000 ] - [ -0.0000374800000000, -0.0000017200000000, -0.0002017900000000 ] - [ -0.0000544200000000, 0.0000308800000000, -0.0001765800000000 ] - [ 0.0000274000000000, 0.0000177900000000, -0.0001883100000000 ] - [ 0.0000121500000000, -0.0000162100000000, -0.0001817800000000 ] - [ 0.0000684500000000, -0.0000017900000000, -0.0002109000000000 ] - [ -0.0000026600000000, 0.0001245600000000, 0.0000997400000000 ] - [ -0.0000663000000000, -0.0000125300000000, 0.0003702200000000 ] - [ -0.0000247900000000, -0.0001305900000000, 0.0000818900000000 ] - [ -0.0000484500000000, -0.0000003300000000, 0.0001021500000000 ] - [ -0.0000804100000000, -0.0000007900000000, -0.0000086300000000 ] - [ 0.0001364100000000, -0.0007389500000000, 0.0004616900000000 ] - [ 0.0000670000000000, 0.0000002000000000, -0.0000168000000000 ] - [ -0.0000833200000000, -0.0000164400000000, 0.0000948400000000 ] - [ 0.0008360000000000, -0.0020438700000000, 0.0062934800000000 ] - [ 0.0000795700000000, 0.0005126800000000, 0.0003158200000000 ] - [ 0.0001355100000000, -0.0000169000000000, -0.0000539200000000 ] - [ -0.0000778500000000, 0.0000188900000000, 0.0000835200000000 ] - [ -0.0013428700000000, -0.0017614300000000, -0.0049277200000000 ] - [ -0.0349860700000000, 0.1342408800000000, -0.0238350800000000 ] - [ 0.0001474500000000, 0.0000381500000000, -0.0002795600000000 ] - [ -0.0001075300000000, 0.0020958600000000, -0.0003112400000000 ] - [ 0.0004180800000000, 0.0000256500000000, -0.0006800000000000 ] - [ 0.0006157200000000, 0.0010601500000000, -0.0000969400000000 ] - [ 0.0065431100000000, -0.0020972600000000, -0.0012885500000000 ] - [ 0.0001624600000000, 0.0004740400000000, -0.0000197600000000 ] - [ -0.0016971500000000, -0.0020725100000000, -0.0041855000000000 ] - [ -0.0000685600000000, 0.0000811900000000, -0.0000906100000000 ] - [ -0.0049974600000000, -0.0017619400000000, 0.0000998800000000 ] - [ -0.0002359500000000, 0.0019833100000000, 0.0000155700000000 ] - [ 0.0000739600000000, -0.0000009000000000, 0.0001042500000000 ] - [ 0.0001134700000000, 0.0004870900000000, 0.0002021000000000 ] - [ -0.0005710300000000, 0.0000453200000000, 0.0004693800000000 ] - [ -0.0003460300000000, -0.0011217700000000, 0.0001410200000000 ] - [ 0.0000483300000000, -0.0000005200000000, 0.0000278500000000 ] - [ 0.0000233900000000, 0.0000055100000000, 0.0000827200000000 ] - [ 0.0001188200000000, 0.0000040100000000, -0.0003334500000000 ] - [ 0.0001484700000000, 0.0000659800000000, 0.0000420900000000 ] - [ -0.0000219000000000, -0.0000002700000000, 0.0002446900000000 ] - [ 0.0000235000000000, -0.0000058400000000, 0.0000819400000000 ] - [ 0.0001333900000000, 0.0000001300000000, 0.0000620700000000 ] - [ 0.0000796900000000, -0.0000292500000000, 0.0000651100000000 ] - [ -0.0000135600000000, -0.0000001200000000, 0.0002044900000000 ] - [ 0.0000216500000000, -0.0000000300000000, 0.0000963800000000 ] - [ 0.0000574200000000, 0.0000240700000000, 0.0001141800000000 ] - [ 0.0000569300000000, -0.0000246900000000, 0.0001128800000000 ] - [ -0.0000252100000000, 0.0001303500000000, 0.0000834300000000 ] - [ -0.0001505100000000, -0.0000005800000000, 0.0002733500000000 ] - [ -0.0000037100000000, -0.0001255800000000, 0.0000970000000000 ] - [ -0.0000377100000000, -0.0000001500000000, 0.0000803600000000 ] - [ -0.0000607100000000, 0.0000069600000000, 0.0000591000000000 ] - [ -0.0001126400000000, 0.0000574600000000, -0.0000032500000000 ] - [ 0.0000777600000000, -0.0000000500000000, -0.0000394800000000 ] - [ -0.0000322500000000, 0.0000079600000000, 0.0000413300000000 ] - [ 0.0001625400000000, 0.0000305200000000, -0.0006471200000000 ] - [ -0.0001046600000000, -0.0000575600000000, -0.0000090500000000 ] - [ -0.0005960500000000, 0.0000341800000000, 0.0004703300000000 ] - [ -0.0000320300000000, -0.0000078200000000, 0.0000392400000000 ] - [ -0.0002098900000000, 0.0000171100000000, 0.0001487400000000 ] - [ 0.0009386900000000, -0.0015248400000000, -0.0000270900000000 ] - [ 0.0000528000000000, 0.0000130000000000, -0.0000108900000000 ] - [ 0.0002498800000000, -0.0005292600000000, 0.0000361000000000 ] - [ 0.0028852900000000, -0.0036144400000000, 0.0089427800000000 ] - [ -0.0026256700000000, -0.0292051300000000, -0.0020479500000000 ] - [ 0.0097242200000000, -0.0036552500000000, -0.0004909400000000 ] - [ -0.0000159900000000, -0.0012316200000000, -0.0004709500000000 ] - [ -0.0001133300000000, 0.0000419800000000, 0.0002157700000000 ] - [ 0.0002225100000000, -0.0007143200000000, 0.0003289300000000 ] - [ -0.0044542900000000, -0.0020773400000000, -0.0004250200000000 ] - [ 0.0001788800000000, -0.0008449800000000, 0.0000401200000000 ] - [ 0.0001776500000000, -0.0000142800000000, 0.0002053700000000 ] - [ -0.0000694400000000, -0.0000812000000000, -0.0000835400000000 ] - [ 0.0001943700000000, -0.0000115300000000, -0.0000169900000000 ] - [ 0.0000893600000000, 0.0006176200000000, -0.0000084400000000 ] - [ 0.0000485700000000, 0.0000036700000000, 0.0001144500000000 ] - [ 0.0000418100000000, -0.0000005200000000, 0.0000993900000000 ] - [ 0.0001034800000000, 0.0000054600000000, 0.0000467600000000 ] - [ 0.0000743700000000, 0.0000306600000000, 0.0000698000000000 ] - [ -0.0000221100000000, -0.0000002300000000, 0.0002454200000000 ] - [ 0.0000408300000000, -0.0000006500000000, 0.0000976000000000 ] - [ 0.0001479300000000, -0.0000002000000000, 0.0000459900000000 ] - [ 0.0001475300000000, -0.0000662700000000, 0.0000405100000000 ] - [ -0.0000137000000000, -0.0000001000000000, 0.0002051700000000 ] - [ 0.0000095100000000, -0.0000001800000000, 0.0001194300000000 ] - [ 0.0000570100000000, 0.0000246400000000, 0.0001243700000000 ] - [ 0.0000568200000000, -0.0000249800000000, 0.0001228000000000 ]- atom: 74 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0000628200000000, -0.0000033500000000, -0.0009997400000000 ] - [ -0.0001310500000000, -0.0000069600000000, -0.0008014600000000 ] - [ -0.0025683700000000, -0.0002014500000000, -0.0006700600000000 ] - [ -0.0000987100000000, -0.0001070800000000, -0.0013537300000000 ] - [ -0.0006835600000000, -0.0030068700000000, 0.0143953300000000 ] - [ 0.0002529700000000, 0.0020624900000000, 0.0143499000000000 ] - [ 0.0002323400000000, 0.0001065900000000, -0.0012158400000000 ] - [ 0.0010811300000000, 0.0009349400000000, -0.0005215300000000 ] - [ -0.0000328100000000, -0.0000000500000000, -0.0008773100000000 ] - [ 0.0001749700000000, 0.0000076400000000, -0.0010371800000000 ] - [ 0.0000633400000000, -0.0000036100000000, -0.0009460800000000 ] - [ 0.0001208300000000, -0.0000090600000000, -0.0009319500000000 ] - [ 0.0014324000000000, -0.0011367300000000, -0.0005760600000000 ] - [ -0.0000450400000000, -0.0000806800000000, -0.0006121300000000 ] - [ -0.0011871700000000, -0.0000060100000000, 0.0017252000000000 ] - [ -0.0008879200000000, -0.0000137200000000, 0.0019915400000000 ] - [ 0.0000063400000000, 0.0000688900000000, -0.0005388500000000 ] - [ -0.0022628600000000, 0.0003028800000000, -0.0010874200000000 ] - [ -0.0000494900000000, 0.0000007200000000, -0.0009067000000000 ] - [ -0.0000108400000000, 0.0000083500000000, -0.0009590300000000 ] - [ 0.0001519500000000, 0.0000022200000000, -0.0013873800000000 ] - [ 0.0000043200000000, -0.0000020800000000, -0.0015296800000000 ] - [ -0.0001358600000000, -0.0001648600000000, -0.0014519500000000 ] - [ -0.0013999000000000, 0.0002490100000000, -0.0014678600000000 ] - [ -0.0001558400000000, 0.0001648400000000, -0.0014787500000000 ] - [ -0.0002457700000000, -0.0000412500000000, 0.0004899500000000 ] - [ 0.0039078300000000, -0.0025797400000000, -0.0027364500000000 ] - [ 0.0127182800000000, -0.0236855500000000, 0.0195625300000000 ] - [ 0.0004503500000000, -0.0004809700000000, -0.0058180300000000 ] - [ 0.0002433000000000, -0.0002059700000000, 0.0002987500000000 ] - [ 0.0001497800000000, 0.0000314600000000, -0.0017870800000000 ] - [ 0.0261495800000000, 0.0031453700000000, 0.0298107500000000 ] - [ 0.0013895300000000, -0.0002871000000000, 0.0051649800000000 ] - [ -0.0053120400000000, -0.0010249800000000, 0.0024323700000000 ] - [ 0.0005958700000000, -0.0000365800000000, -0.0014793500000000 ] - [ 0.0000379700000000, -0.0000030500000000, -0.0013731400000000 ] - [ 0.0007319400000000, 0.0000314600000000, -0.0013066000000000 ] - [ -0.0000327700000000, 0.0000726900000000, -0.0013563500000000 ] - [ 0.0000110500000000, -0.0000807500000000, -0.0014006200000000 ] - [ 0.0001116800000000, -0.0000187000000000, -0.0012661600000000 ] - [ 0.0000456500000000, 0.0000036500000000, -0.0013466200000000 ] - [ 0.0000467000000000, -0.0000012100000000, -0.0014742400000000 ] - [ 0.0000133400000000, -0.0002090500000000, -0.0012404200000000 ] - [ 0.0008795300000000, 0.0002562400000000, -0.0012878800000000 ] - [ 0.0000006100000000, 0.0002091600000000, -0.0012546900000000 ] - [ 0.0027284900000000, 0.0005569400000000, -0.0025043600000000 ] - [ -0.0015769800000000, -0.0000975900000000, 0.0002319100000000 ] - [ -0.0019650700000000, -0.0003252400000000, 0.0035634800000000 ] - [ -0.0004719800000000, 0.0000382600000000, 0.0004543500000000 ] - [ 0.0002387000000000, -0.0007962900000000, -0.0048401700000000 ] - [ -0.0004144500000000, 0.0000037500000000, -0.0009327600000000 ] - [ -0.0001037700000000, 0.0003290000000000, 0.0043142000000000 ] - [ -0.0015005000000000, 0.0006677400000000, 0.0069564900000000 ] - [ 0.0041019100000000, 0.0029922700000000, 0.0050477800000000 ] - [ -0.0008176100000000, 0.0000091100000000, -0.0013345400000000 ] - [ -0.0000371300000000, -0.0000077400000000, -0.0015123200000000 ] - [ -0.0006030600000000, -0.0000233000000000, -0.0012107400000000 ] - [ 0.0000096700000000, 0.0000806000000000, -0.0014015800000000 ] - [ -0.0000303300000000, -0.0000729200000000, -0.0013550600000000 ] - [ 0.0001034700000000, -0.0000217000000000, -0.0015887400000000 ] - [ 0.0001157700000000, 0.0000976700000000, 0.0008950000000000 ] - [ 0.0000253000000000, -0.0000338000000000, 0.0014981000000000 ] - [ 0.0000158000000000, -0.0001164000000000, 0.0008604800000000 ] - [ -0.0001257700000000, -0.0000018500000000, 0.0009736000000000 ] - [ -0.0004123000000000, 0.0000112100000000, 0.0007642000000000 ] - [ 0.0011629600000000, -0.0004090000000000, 0.0020890700000000 ] - [ 0.0000583200000000, 0.0000029800000000, 0.0008707000000000 ] - [ -0.0000004200000000, 0.0000833400000000, 0.0010029200000000 ] - [ 0.0016302600000000, -0.0039312400000000, 0.0065428700000000 ] - [ 0.0007821800000000, 0.0002679100000000, 0.0014211500000000 ] - [ 0.0004700000000000, 0.0000077200000000, 0.0000428200000000 ] - [ 0.0000087400000000, -0.0000729800000000, 0.0009471500000000 ] - [ 0.0027846900000000, 0.0050314100000000, 0.0065087000000000 ] - [ -0.0448026300000000, 0.0273187700000000, -0.0924080500000000 ] - [ -0.0006515400000000, 0.0002354700000000, 0.0015724200000000 ] - [ -0.0065495100000000, -0.0002146500000000, 0.0054384100000000 ] - [ 0.0000886700000000, 0.0002751300000000, -0.0017146200000000 ] - [ 0.0008112100000000, 0.0001232400000000, -0.0017171500000000 ] - [ 0.0033131800000000, -0.0011950700000000, -0.0042153800000000 ] - [ 0.0013432400000000, -0.0000955100000000, -0.0007075100000000 ] - [ 0.0017964100000000, 0.0063299500000000, 0.0050803700000000 ] - [ -0.0005480600000000, 0.0000658200000000, 0.0004613300000000 ] - [ 0.0016195900000000, 0.0007893100000000, -0.0050924500000000 ] - [ -0.0068142900000000, -0.0001408700000000, 0.0034148600000000 ] - [ -0.0000728100000000, -0.0000203600000000, 0.0010379800000000 ] - [ 0.0006839600000000, 0.0002758800000000, 0.0013570300000000 ] - [ -0.0010149900000000, -0.0000679900000000, 0.0013312200000000 ] - [ -0.0020296900000000, 0.0000054700000000, -0.0015382800000000 ] - [ -0.0002581100000000, 0.0000165500000000, 0.0008002500000000 ] - [ 0.0000859900000000, -0.0000635000000000, 0.0008094500000000 ] - [ -0.0005167000000000, 0.0000809400000000, 0.0014047900000000 ] - [ 0.0002370500000000, 0.0001224000000000, 0.0006596400000000 ] - [ -0.0000565600000000, -0.0000007100000000, 0.0012322600000000 ] - [ 0.0000866600000000, 0.0000628100000000, 0.0008040000000000 ] - [ 0.0000005700000000, -0.0000006400000000, 0.0008434600000000 ] - [ 0.0001514000000000, -0.0001362900000000, 0.0008885400000000 ] - [ -0.0000484700000000, 0.0000007200000000, 0.0009949000000000 ] - [ -0.0000303600000000, 0.0000013800000000, 0.0010883600000000 ] - [ 0.0001151500000000, 0.0000281300000000, 0.0008607600000000 ] - [ 0.0001152000000000, -0.0000282500000000, 0.0008581000000000 ] - [ 0.0000140600000000, 0.0001168800000000, 0.0008665300000000 ] - [ -0.0002978300000000, -0.0000103500000000, 0.0012269300000000 ] - [ 0.0001144000000000, -0.0000979800000000, 0.0008852600000000 ] - [ -0.0001253100000000, -0.0000010900000000, 0.0008618400000000 ] - [ 0.0000358900000000, 0.0000339500000000, 0.0008617100000000 ] - [ -0.0008920500000000, 0.0000511300000000, 0.0005841300000000 ] - [ 0.0000380400000000, 0.0000017800000000, 0.0007542200000000 ] - [ 0.0000078700000000, 0.0000376300000000, 0.0006179900000000 ] - [ -0.0003039700000000, 0.0002369000000000, -0.0018994600000000 ] - [ -0.0005159200000000, -0.0000435900000000, 0.0001713400000000 ] - [ -0.0009816200000000, -0.0002051300000000, 0.0014971100000000 ] - [ 0.0000311900000000, -0.0000363600000000, 0.0005822000000000 ] - [ -0.0002883900000000, -0.0002098500000000, -0.0012488200000000 ] - [ 0.0013435800000000, -0.0002365100000000, -0.0015835900000000 ] - [ 0.0003293600000000, -0.0000150100000000, 0.0002148000000000 ] - [ 0.0013215500000000, 0.0001632900000000, -0.0008289400000000 ] - [ 0.0037514300000000, -0.0090869600000000, 0.0102016900000000 ] - [ -0.0021864100000000, -0.0022725800000000, -0.0072500200000000 ] - [ 0.0033538400000000, -0.0025205600000000, -0.0061662800000000 ] - [ -0.0020686600000000, 0.0003827800000000, -0.0014835400000000 ] - [ -0.0000276800000000, -0.0003536100000000, -0.0013634600000000 ] - [ 0.0010635600000000, -0.0004298300000000, 0.0020216600000000 ] - [ 0.0018068400000000, 0.0022184000000000, -0.0063885300000000 ] - [ 0.0019206800000000, -0.0000441900000000, -0.0006098600000000 ] - [ 0.0002687400000000, -0.0000596600000000, 0.0013374000000000 ] - [ -0.0003207900000000, -0.0000708500000000, 0.0000709300000000 ] - [ 0.0005606900000000, -0.0000335100000000, 0.0002668000000000 ] - [ 0.0016277900000000, 0.0001058700000000, -0.0003677900000000 ] - [ 0.0000875500000000, 0.0000432000000000, 0.0009419400000000 ] - [ 0.0001635300000000, -0.0000822800000000, 0.0008399700000000 ] - [ 0.0004080900000000, 0.0000222200000000, 0.0004050500000000 ] - [ 0.0001318200000000, 0.0001390600000000, 0.0009274100000000 ] - [ -0.0000565800000000, -0.0000007400000000, 0.0012344300000000 ] - [ 0.0001611900000000, 0.0000801100000000, 0.0008307600000000 ] - [ 0.0000221600000000, -0.0000013600000000, 0.0007639200000000 ] - [ 0.0002561700000000, -0.0001219600000000, 0.0006303700000000 ] - [ -0.0000468100000000, 0.0000006900000000, 0.0009977100000000 ] - [ -0.0000328700000000, 0.0000010800000000, 0.0011977800000000 ] - [ 0.0001333400000000, 0.0000321400000000, 0.0009045700000000 ] - [ 0.0001337100000000, -0.0000322400000000, 0.0009014900000000 ]- atom: 74 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0000017600000000, -0.0000040000000000, 0.0008444300000000 ] - [ -0.0000227700000000, 0.0000078200000000, 0.0007668900000000 ] - [ 0.0024416900000000, 0.0002018100000000, 0.0006539900000000 ] - [ -0.0000994600000000, 0.0001073700000000, 0.0014393600000000 ] - [ 0.0009122400000000, 0.0033803600000000, -0.0146741600000000 ] - [ -0.0004606400000000, -0.0016338500000000, -0.0140475500000000 ] - [ -0.0001896800000000, -0.0001070600000000, 0.0012551300000000 ] - [ -0.0010796300000000, -0.0009359300000000, 0.0004566800000000 ] - [ -0.0000139400000000, -0.0000012400000000, 0.0008009200000000 ] - [ 0.0000688400000000, -0.0000075000000000, 0.0009927300000000 ] - [ 0.0000012200000000, -0.0000037000000000, 0.0007908600000000 ] - [ -0.0002736600000000, 0.0000099600000000, 0.0008966400000000 ] - [ -0.0015449900000000, 0.0011337100000000, 0.0005603900000000 ] - [ -0.0001529900000000, 0.0000811100000000, 0.0007010000000000 ] - [ 0.0011683700000000, 0.0000083400000000, -0.0017676300000000 ] - [ 0.0009632800000000, 0.0000165500000000, -0.0019804400000000 ] - [ 0.0000370300000000, -0.0000687700000000, 0.0005751500000000 ] - [ 0.0022757900000000, -0.0003056300000000, 0.0010246100000000 ] - [ 0.0000029100000000, -0.0000019100000000, 0.0008304600000000 ] - [ 0.0002554500000000, -0.0000081000000000, 0.0009142300000000 ] - [ -0.0000336100000000, -0.0000021400000000, 0.0013526300000000 ] - [ 0.0001591900000000, 0.0000023100000000, 0.0015198400000000 ] - [ 0.0001720000000000, -0.0001336900000000, 0.0014227600000000 ] - [ 0.0010812100000000, -0.0002480200000000, 0.0015887000000000 ] - [ 0.0001924100000000, 0.0001333400000000, 0.0014537700000000 ] - [ 0.0001755900000000, 0.0002206200000000, -0.0005036900000000 ] - [ -0.0039322400000000, 0.0025917300000000, 0.0027884500000000 ] - [ -0.0126173800000000, 0.0232400900000000, -0.0196389300000000 ] - [ -0.0005140800000000, 0.0002992300000000, 0.0057595800000000 ] - [ -0.0001412200000000, 0.0002064400000000, -0.0004319400000000 ] - [ -0.0004865400000000, -0.0000311700000000, 0.0017944400000000 ] - [ -0.0277194000000000, -0.0033625900000000, -0.0306579600000000 ] - [ -0.0013324700000000, 0.0003725900000000, -0.0052133000000000 ] - [ 0.0051616400000000, 0.0010118000000000, -0.0023433800000000 ] - [ -0.0003260600000000, 0.0000093700000000, 0.0014426700000000 ] - [ -0.0001205500000000, 0.0000030900000000, 0.0013579200000000 ] - [ -0.0004625000000000, -0.0000040700000000, 0.0012679300000000 ] - [ 0.0000820800000000, -0.0000475900000000, 0.0012712900000000 ] - [ 0.0000379800000000, 0.0000558500000000, 0.0013142900000000 ] - [ -0.0000152400000000, 0.0000190800000000, 0.0012419000000000 ] - [ 0.0000720900000000, -0.0000036100000000, 0.0013121200000000 ] - [ 0.0001170600000000, 0.0000014700000000, 0.0014642500000000 ] - [ 0.0000236000000000, -0.0000896500000000, 0.0012121500000000 ] - [ -0.0011883600000000, -0.0002549200000000, 0.0014100600000000 ] - [ 0.0000363800000000, 0.0000898400000000, 0.0012304400000000 ] - [ -0.0027831900000000, -0.0003764300000000, 0.0024810700000000 ] - [ 0.0015814800000000, 0.0001003200000000, -0.0001970000000000 ] - [ 0.0018620300000000, 0.0003218400000000, -0.0034920900000000 ] - [ 0.0004013400000000, -0.0002174200000000, -0.0004676400000000 ] - [ -0.0001363900000000, 0.0008029100000000, 0.0047243400000000 ] - [ 0.0000753700000000, -0.0000035400000000, 0.0009436400000000 ] - [ 0.0001536400000000, -0.0004145600000000, -0.0043603900000000 ] - [ 0.0015466800000000, -0.0005890300000000, -0.0070414500000000 ] - [ -0.0042139700000000, -0.0029829200000000, -0.0049505400000000 ] - [ 0.0010935000000000, -0.0000365300000000, 0.0012974800000000 ] - [ -0.0000451600000000, 0.0000078700000000, 0.0014976500000000 ] - [ 0.0008778000000000, 0.0000510000000000, 0.0011711800000000 ] - [ 0.0000393600000000, -0.0000555600000000, 0.0013165600000000 ] - [ 0.0000795800000000, 0.0000480200000000, 0.0012686000000000 ] - [ -0.0000073700000000, 0.0000220400000000, 0.0015658400000000 ] - [ -0.0001663200000000, 0.0001752500000000, -0.0009048200000000 ] - [ -0.0002236600000000, 0.0000336700000000, -0.0012081600000000 ] - [ -0.0000669600000000, -0.0001566600000000, -0.0008719100000000 ] - [ 0.0000697000000000, 0.0000020000000000, -0.0009943200000000 ] - [ 0.0002597000000000, -0.0000111300000000, -0.0008409900000000 ] - [ -0.0012806200000000, 0.0003873100000000, -0.0019902600000000 ] - [ 0.0000876100000000, -0.0000027600000000, -0.0011081200000000 ] - [ -0.0001141500000000, -0.0000833200000000, -0.0010255600000000 ] - [ -0.0019145300000000, 0.0038890500000000, -0.0063213800000000 ] - [ -0.0009035500000000, -0.0002455800000000, -0.0013303100000000 ] - [ -0.0005589800000000, -0.0000073800000000, -0.0000249900000000 ] - [ -0.0001231700000000, 0.0000732500000000, -0.0009717200000000 ] - [ -0.0028176300000000, -0.0049586200000000, -0.0064944600000000 ] - [ 0.0462527600000000, -0.0277257200000000, 0.0932236900000000 ] - [ 0.0006039900000000, -0.0002350100000000, -0.0016699400000000 ] - [ 0.0065002500000000, 0.0004404200000000, -0.0053592800000000 ] - [ 0.0000378400000000, -0.0002763200000000, 0.0017486300000000 ] - [ -0.0008296800000000, 0.0000025400000000, 0.0015789900000000 ] - [ -0.0033789700000000, 0.0011992400000000, 0.0042621700000000 ] - [ -0.0013208300000000, -0.0001247200000000, 0.0007327100000000 ] - [ -0.0019831800000000, -0.0064141800000000, -0.0051045500000000 ] - [ 0.0004969300000000, -0.0000426900000000, -0.0005266000000000 ] - [ -0.0018148200000000, -0.0008044100000000, 0.0049246400000000 ] - [ 0.0069426900000000, 0.0001425300000000, -0.0032263200000000 ] - [ 0.0003330200000000, 0.0000205300000000, -0.0010996300000000 ] - [ -0.0007397700000000, -0.0003006700000000, -0.0014283100000000 ] - [ 0.0010398800000000, 0.0000671400000000, -0.0012523800000000 ] - [ 0.0021076600000000, -0.0000059600000000, 0.0017540400000000 ] - [ 0.0003457700000000, -0.0000165700000000, -0.0007786000000000 ] - [ -0.0000483000000000, 0.0000953200000000, -0.0008070500000000 ] - [ 0.0005725600000000, -0.0000802900000000, -0.0013655200000000 ] - [ -0.0000160100000000, -0.0000115400000000, -0.0007007100000000 ] - [ 0.0000195600000000, 0.0000007800000000, -0.0009812900000000 ] - [ -0.0000489500000000, -0.0000943900000000, -0.0008023800000000 ] - [ 0.0003222600000000, 0.0000008700000000, -0.0009244300000000 ] - [ 0.0000696200000000, 0.0000259600000000, -0.0009329700000000 ] - [ 0.0000254000000000, -0.0000006900000000, -0.0007700800000000 ] - [ 0.0000713200000000, -0.0000012700000000, -0.0011042000000000 ] - [ -0.0000141500000000, 0.0000222000000000, -0.0008023200000000 ] - [ -0.0000146800000000, -0.0000219100000000, -0.0008021800000000 ] - [ -0.0000649600000000, 0.0001562500000000, -0.0008765400000000 ] - [ 0.0000981900000000, 0.0000103500000000, -0.0009382600000000 ] - [ -0.0001651600000000, -0.0001748800000000, -0.0008965600000000 ] - [ 0.0000693300000000, 0.0000012600000000, -0.0008830200000000 ] - [ -0.0001865700000000, -0.0000337400000000, -0.0009381100000000 ] - [ 0.0007638600000000, -0.0000722000000000, -0.0004941300000000 ] - [ 0.0001079200000000, -0.0000015700000000, -0.0009921200000000 ] - [ -0.0001223700000000, -0.0000377900000000, -0.0006422400000000 ] - [ -0.0000006000000000, -0.0002354600000000, 0.0020460800000000 ] - [ 0.0003894000000000, 0.0000648600000000, -0.0000862000000000 ] - [ 0.0008855800000000, 0.0002048000000000, -0.0014728800000000 ] - [ -0.0001455700000000, 0.0000367400000000, -0.0006083200000000 ] - [ 0.0002274500000000, 0.0002083800000000, 0.0011796400000000 ] - [ -0.0013627900000000, 0.0001120600000000, 0.0014476800000000 ] - [ -0.0003714800000000, 0.0000148900000000, -0.0003186200000000 ] - [ -0.0013003700000000, 0.0000580000000000, 0.0008538200000000 ] - [ -0.0036688800000000, 0.0092305300000000, -0.0103108700000000 ] - [ 0.0021852700000000, 0.0023630100000000, 0.0071206800000000 ] - [ -0.0033558600000000, 0.0025135200000000, 0.0062470700000000 ] - [ 0.0020780100000000, -0.0006041400000000, 0.0015013700000000 ] - [ -0.0001370300000000, 0.0003553800000000, 0.0014079100000000 ] - [ -0.0011227000000000, 0.0004568000000000, -0.0020964100000000 ] - [ -0.0019405500000000, -0.0022123000000000, 0.0062411100000000 ] - [ -0.0018559400000000, 0.0000426200000000, 0.0008259900000000 ] - [ -0.0000099100000000, 0.0000601600000000, -0.0014003200000000 ] - [ 0.0002688700000000, 0.0000479300000000, -0.0001370100000000 ] - [ -0.0005433500000000, 0.0000341800000000, -0.0001825700000000 ] - [ -0.0015358200000000, -0.0001030600000000, 0.0005958600000000 ] - [ -0.0000009900000000, -0.0000434500000000, -0.0009209700000000 ] - [ -0.0001261800000000, 0.0001142300000000, -0.0008376400000000 ] - [ -0.0003563400000000, -0.0000225600000000, -0.0003615400000000 ] - [ 0.0000895900000000, -0.0000284200000000, -0.0009696300000000 ] - [ 0.0000195300000000, 0.0000008300000000, -0.0009834500000000 ] - [ -0.0001238500000000, -0.0001118000000000, -0.0008292300000000 ] - [ 0.0003005000000000, 0.0000016100000000, -0.0008444800000000 ] - [ -0.0000351800000000, 0.0000112900000000, -0.0006735700000000 ] - [ 0.0000238300000000, -0.0000006500000000, -0.0007729100000000 ] - [ 0.0000738500000000, -0.0000009600000000, -0.0012138100000000 ] - [ -0.0000323200000000, 0.0000181900000000, -0.0008462100000000 ] - [ -0.0000330900000000, -0.0000179000000000, -0.0008456100000000 ]- atom: 75 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0001657600000000, 0.0000000000000000, -0.0003325500000000 ] - [ -0.0014210200000000, 0.0000000000000000, -0.0000323400000000 ] - [ -0.0026002100000000, 0.0000000000000000, 0.0026411800000000 ] - [ 0.0019769000000000, 0.0000000000000000, -0.0022431300000000 ] - [ 0.0001563200000000, 0.0000000000000000, 0.0003888300000000 ] - [ 0.0029828300000000, 0.0000000000000000, -0.0000307400000000 ] - [ 0.0000466600000000, 0.0000000000000000, 0.0000645200000000 ] - [ -0.0000445400000000, 0.0000000000000000, 0.0000964400000000 ] - [ -0.0001122500000000, 0.0000000000000000, 0.0000643800000000 ] - [ 0.0001076300000000, 0.0000000000000000, 0.0000327800000000 ] - [ -0.0000512100000000, 0.0000000000000000, 0.0003461000000000 ] - [ 0.0016412000000000, 0.0000000000000000, -0.0006035500000000 ] - [ 0.0145706600000000, 0.0000000000000000, 0.0030394900000000 ] - [ -0.0037692300000000, 0.0000000000000000, 0.0015208400000000 ] - [ -0.0002088400000000, 0.0000000000000000, -0.0001912700000000 ] - [ -0.0010006800000000, 0.0000000000000000, 0.0000696500000000 ] - [ -0.0000024100000000, 0.0000000000000000, 0.0000730300000000 ] - [ 0.0000730700000000, 0.0000000000000000, -0.0000444100000000 ] - [ 0.0000614300000000, 0.0000000000000000, -0.0000487100000000 ] - [ 0.0001391600000000, 0.0000000000000000, 0.0000379100000000 ] - [ 0.0009170500000000, 0.0000000000000000, 0.0000494600000000 ] - [ -0.0001110100000000, 0.0000000000000000, -0.0002656700000000 ] - [ -0.0003264200000000, -0.0000746600000000, -0.0013610400000000 ] - [ -0.0079955300000000, 0.0000000000000000, -0.0030801500000000 ] - [ -0.0003264200000000, 0.0000746600000000, -0.0013610400000000 ] - [ -0.0046128100000000, 0.0003500600000000, -0.0017836100000000 ] - [ 0.0001005800000000, 0.0000000000000000, 0.0002072700000000 ] - [ 0.0003984900000000, 0.0000000000000000, 0.0011581800000000 ] - [ 0.0196489400000000, -0.0159559100000000, -0.0107200900000000 ] - [ -0.0000119800000000, 0.0000000000000000, 0.0000115800000000 ] - [ 0.0084074300000000, 0.0000000000000000, 0.0074114100000000 ] - [ 0.0006476700000000, 0.0000588300000000, -0.0002794200000000 ] - [ -0.0004884900000000, 0.0002400300000000, 0.0002936600000000 ] - [ -0.0040619500000000, 0.0000000000000000, 0.0016340400000000 ] - [ 0.0001190900000000, -0.0000218900000000, 0.0000829300000000 ] - [ -0.0000865500000000, 0.0000000000000000, 0.0001026400000000 ] - [ 0.0001190900000000, 0.0000218900000000, 0.0000829300000000 ] - [ 0.0001033900000000, 0.0000208200000000, 0.0001080500000000 ] - [ -0.0000570100000000, -0.0000196900000000, -0.0000348000000000 ] - [ 0.0000289400000000, 0.0000000000000000, 0.0000976500000000 ] - [ -0.0006500000000000, 0.0000000000000000, 0.0000516100000000 ] - [ 0.0001713700000000, 0.0000000000000000, 0.0003954000000000 ] - [ -0.0005979200000000, 0.0011067800000000, 0.0016589100000000 ] - [ 0.0027800700000000, 0.0000000000000000, 0.0021999300000000 ] - [ -0.0005979200000000, -0.0011067800000000, 0.0016589100000000 ] - [ 0.0196489400000000, 0.0159559100000000, -0.0107200900000000 ] - [ -0.0001567000000000, 0.0000000000000000, -0.0000038000000000 ] - [ -0.0005041100000000, 0.0000000000000000, -0.0011141600000000 ] - [ -0.0046128100000000, -0.0003500600000000, -0.0017836100000000 ] - [ 0.0001085300000000, 0.0000000000000000, 0.0000237800000000 ] - [ -0.0031153200000000, 0.0000000000000000, -0.0000280100000000 ] - [ -0.0004884900000000, -0.0002400300000000, 0.0002936600000000 ] - [ 0.0006476700000000, -0.0000588300000000, -0.0002794200000000 ] - [ -0.0004040700000000, 0.0000000000000000, -0.0012934500000000 ] - [ 0.0001579800000000, -0.0000147600000000, 0.0000331000000000 ] - [ 0.0000039500000000, 0.0000000000000000, 0.0000504400000000 ] - [ 0.0001579800000000, 0.0000147600000000, 0.0000331000000000 ] - [ -0.0000570100000000, 0.0000196900000000, -0.0000348000000000 ] - [ 0.0001033900000000, -0.0000208200000000, 0.0001080500000000 ] - [ 0.0000612600000000, 0.0000000000000000, 0.0000456500000000 ] - [ 0.0005294300000000, 0.0000663800000000, 0.0003020000000000 ] - [ 0.0007332200000000, 0.0000000000000000, 0.0018618300000000 ] - [ -0.0007581300000000, -0.0000423300000000, -0.0004450300000000 ] - [ -0.0003085300000000, 0.0000000000000000, 0.0005468100000000 ] - [ 0.0024568300000000, 0.0000000000000000, -0.0055177700000000 ] - [ 0.0069758800000000, 0.0044017800000000, 0.0009584000000000 ] - [ 0.0000354100000000, 0.0000000000000000, 0.0006038100000000 ] - [ -0.0015178900000000, 0.0010076500000000, 0.0019809700000000 ] - [ -0.0008281400000000, 0.0000000000000000, -0.0014279800000000 ] - [ 0.0069758800000000, -0.0044017800000000, 0.0009584000000000 ] - [ 0.0039905400000000, 0.0000000000000000, -0.0004733500000000 ] - [ -0.0015178900000000, -0.0010076500000000, 0.0019809700000000 ] - [ 0.0032086400000000, 0.0000000000000000, -0.0086792700000000 ] - [ -0.0008750500000000, -0.0002311000000000, -0.0005733200000000 ] - [ -0.0779270100000000, 0.0000000000000000, 0.0096511900000000 ] - [ -0.0028182300000000, 0.0030036500000000, 0.0042615100000000 ] - [ 0.0002078300000000, 0.0000000000000000, -0.0000088700000000 ] - [ 0.0005096400000000, 0.0001345200000000, 0.0002109900000000 ] - [ 0.0003272500000000, 0.0000000000000000, -0.0003286500000000 ] - [ 0.0018652600000000, -0.0004689700000000, -0.0002246000000000 ] - [ -0.0002966900000000, 0.0000000000000000, -0.0000148000000000 ] - [ -0.0000053900000000, 0.0000126700000000, -0.0000947100000000 ] - [ 0.0005081200000000, 0.0000000000000000, -0.0012226500000000 ] - [ -0.0000211500000000, -0.0000562700000000, -0.0000940300000000 ] - [ 0.0001450700000000, 0.0000000000000000, -0.0001078800000000 ] - [ -0.0000644900000000, -0.0000232800000000, -0.0000705200000000 ] - [ 0.0000091600000000, 0.0000000000000000, -0.0000374300000000 ] - [ -0.0000211500000000, 0.0000562700000000, -0.0000940300000000 ] - [ 0.0000686500000000, 0.0000000000000000, -0.0000519400000000 ] - [ 0.0000496400000000, 0.0000191000000000, -0.0000473100000000 ] - [ 0.0000143800000000, 0.0000000000000000, -0.0000959700000000 ] - [ 0.0001077200000000, 0.0000526500000000, -0.0000696500000000 ] - [ 0.0001027000000000, 0.0000000000000000, 0.0001145300000000 ] - [ 0.0000496400000000, -0.0000191000000000, -0.0000473100000000 ] - [ 0.0001729900000000, 0.0000000000000000, -0.0000511900000000 ] - [ 0.0001014700000000, -0.0000526500000000, -0.0000675300000000 ] - [ -0.0001672500000000, 0.0000000000000000, 0.0000156600000000 ] - [ 0.0000174200000000, 0.0000000000000000, -0.0001283100000000 ] - [ 0.0000222100000000, 0.0000014400000000, -0.0001674300000000 ] - [ 0.0000222100000000, -0.0000014400000000, -0.0001674300000000 ] - [ -0.0007581300000000, 0.0000423300000000, -0.0004450300000000 ] - [ -0.0008853500000000, 0.0000000000000000, -0.0009770000000000 ] - [ 0.0005294300000000, -0.0000663800000000, 0.0003020000000000 ] - [ 0.0002916100000000, 0.0000000000000000, -0.0004501400000000 ] - [ 0.0010249300000000, 0.0000000000000000, 0.0011692300000000 ] - [ 0.0084612600000000, 0.0048823100000000, 0.0004975100000000 ] - [ 0.0006960600000000, 0.0000000000000000, -0.0011213300000000 ] - [ 0.0013898500000000, 0.0003267500000000, -0.0003551300000000 ] - [ 0.0014123900000000, 0.0000000000000000, 0.0018586400000000 ] - [ 0.0084612600000000, -0.0048823100000000, 0.0004975100000000 ] - [ -0.0059413300000000, 0.0000000000000000, 0.0014163300000000 ] - [ 0.0013898500000000, -0.0003267500000000, -0.0003551300000000 ] - [ 0.0010753600000000, 0.0000000000000000, 0.0011583100000000 ] - [ 0.0005096400000000, -0.0001345200000000, 0.0002109900000000 ] - [ 0.0038015900000000, 0.0000000000000000, -0.0000629100000000 ] - [ 0.0018652600000000, 0.0004689700000000, -0.0002246000000000 ] - [ -0.0000864700000000, 0.0000000000000000, -0.0001006500000000 ] - [ -0.0008750500000000, 0.0002311000000000, -0.0005733200000000 ] - [ -0.0002983700000000, 0.0000000000000000, 0.0005475000000000 ] - [ -0.0028182300000000, -0.0030036500000000, 0.0042615100000000 ] - [ 0.0001586600000000, 0.0000000000000000, -0.0001167300000000 ] - [ -0.0000644900000000, 0.0000232800000000, -0.0000705200000000 ] - [ -0.0001400800000000, 0.0000000000000000, 0.0010259400000000 ] - [ 0.0000900600000000, 0.0000502200000000, 0.0002393200000000 ] - [ 0.0001208200000000, 0.0000000000000000, -0.0000875500000000 ] - [ -0.0000053900000000, -0.0000126700000000, -0.0000947100000000 ] - [ 0.0000332500000000, 0.0000000000000000, 0.0000260400000000 ] - [ 0.0000900600000000, -0.0000502200000000, 0.0002393200000000 ] - [ 0.0000325400000000, 0.0000000000000000, -0.0000280600000000 ] - [ -0.0000257800000000, 0.0000238100000000, -0.0000477600000000 ] - [ 0.0000476700000000, 0.0000000000000000, -0.0000022600000000 ] - [ 0.0001014700000000, 0.0000526500000000, -0.0000675300000000 ] - [ -0.0001389800000000, 0.0000000000000000, 0.0000314100000000 ] - [ -0.0000257800000000, -0.0000238100000000, -0.0000477600000000 ] - [ 0.0001688200000000, 0.0000000000000000, -0.0001227200000000 ] - [ 0.0001077200000000, -0.0000526500000000, -0.0000696500000000 ] - [ 0.0001713500000000, 0.0000000000000000, 0.0000563100000000 ] - [ 0.0000321400000000, 0.0000000000000000, -0.0000314700000000 ] - [ 0.0000698700000000, 0.0000384800000000, 0.0001391700000000 ] - [ 0.0000698700000000, -0.0000384800000000, 0.0001391700000000 ]- atom: 75 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0000996400000000, 0.0000000000000000, 0.0001812600000000 ] - [ 0.0012654400000000, 0.0000000000000000, -0.0000042600000000 ] - [ 0.0024826400000000, 0.0000000000000000, -0.0026420200000000 ] - [ -0.0021430800000000, 0.0000000000000000, 0.0023109400000000 ] - [ -0.0001694900000000, 0.0000000000000000, -0.0004185300000000 ] - [ -0.0029033300000000, 0.0000000000000000, 0.0000180300000000 ] - [ -0.0000024100000000, 0.0000000000000000, -0.0000260000000000 ] - [ 0.0000478500000000, 0.0000000000000000, -0.0001556500000000 ] - [ 0.0000613100000000, 0.0000000000000000, -0.0001402900000000 ] - [ 0.0001369000000000, 0.0000000000000000, -0.0000750000000000 ] - [ 0.0001172300000000, 0.0000000000000000, -0.0005019300000000 ] - [ -0.0018127500000000, 0.0000000000000000, 0.0005788000000000 ] - [ -0.0158952200000000, 0.0000000000000000, -0.0039566700000000 ] - [ 0.0035838300000000, 0.0000000000000000, -0.0014543000000000 ] - [ 0.0001925100000000, 0.0000000000000000, 0.0001631200000000 ] - [ 0.0010707500000000, 0.0000000000000000, -0.0000730700000000 ] - [ 0.0000459400000000, 0.0000000000000000, -0.0000343700000000 ] - [ -0.0000702100000000, 0.0000000000000000, -0.0000157500000000 ] - [ -0.0001121300000000, 0.0000000000000000, -0.0000263200000000 ] - [ 0.0001053800000000, 0.0000000000000000, -0.0000803900000000 ] - [ -0.0008016300000000, 0.0000000000000000, -0.0000767900000000 ] - [ 0.0002787300000000, 0.0000000000000000, 0.0002558300000000 ] - [ 0.0003844900000000, -0.0002197600000000, 0.0013358400000000 ] - [ 0.0076363700000000, 0.0000000000000000, 0.0031760000000000 ] - [ 0.0003844900000000, 0.0002197600000000, 0.0013358400000000 ] - [ 0.0045476600000000, -0.0001705600000000, 0.0017794800000000 ] - [ -0.0000992100000000, 0.0000000000000000, -0.0001638200000000 ] - [ -0.0004844900000000, 0.0000000000000000, -0.0011059000000000 ] - [ -0.0196955100000000, 0.0153757400000000, 0.0103806600000000 ] - [ 0.0001153800000000, 0.0000000000000000, -0.0001356100000000 ] - [ -0.0088699600000000, 0.0000000000000000, -0.0078648400000000 ] - [ -0.0006017500000000, -0.0001405400000000, 0.0002549200000000 ] - [ 0.0005343300000000, -0.0001573500000000, -0.0003134200000000 ] - [ 0.0039425800000000, 0.0000000000000000, -0.0015650800000000 ] - [ 0.0001527000000000, -0.0000061200000000, -0.0001185900000000 ] - [ 0.0000044300000000, 0.0000000000000000, -0.0001152000000000 ] - [ 0.0001527000000000, 0.0000061200000000, -0.0001185900000000 ] - [ -0.0000530600000000, 0.0000062900000000, -0.0001918500000000 ] - [ 0.0001087200000000, -0.0000074200000000, -0.0000493300000000 ] - [ 0.0000664400000000, 0.0000000000000000, -0.0001183400000000 ] - [ 0.0007704300000000, 0.0000000000000000, -0.0000860200000000 ] - [ -0.0000098600000000, 0.0000000000000000, -0.0004054700000000 ] - [ 0.0006291000000000, -0.0014030000000000, -0.0016880900000000 ] - [ -0.0031324600000000, 0.0000000000000000, -0.0020837100000000 ] - [ 0.0006291000000000, 0.0014030000000000, -0.0016880900000000 ] - [ -0.0196955100000000, -0.0153757400000000, 0.0103806600000000 ] - [ 0.0001565600000000, 0.0000000000000000, 0.0000478500000000 ] - [ 0.0004079700000000, 0.0000000000000000, 0.0011741800000000 ] - [ 0.0045476600000000, 0.0001705600000000, 0.0017794800000000 ] - [ -0.0000048500000000, 0.0000000000000000, -0.0001488100000000 ] - [ 0.0027806000000000, 0.0000000000000000, 0.0000202100000000 ] - [ 0.0005343300000000, 0.0001573500000000, -0.0003134200000000 ] - [ -0.0006017500000000, 0.0001405400000000, 0.0002549200000000 ] - [ 0.0002567300000000, 0.0000000000000000, 0.0013536800000000 ] - [ 0.0001137500000000, -0.0000130800000000, -0.0000688000000000 ] - [ -0.0000859900000000, 0.0000000000000000, -0.0000625200000000 ] - [ 0.0001137500000000, 0.0000130800000000, -0.0000688000000000 ] - [ 0.0001087200000000, 0.0000074200000000, -0.0000493300000000 ] - [ -0.0000530600000000, -0.0000062900000000, -0.0001918500000000 ] - [ 0.0000336900000000, 0.0000000000000000, -0.0000664400000000 ] - [ -0.0005814800000000, 0.0002084900000000, -0.0003128500000000 ] - [ -0.0009357700000000, 0.0000000000000000, -0.0015568100000000 ] - [ 0.0007126500000000, -0.0002326700000000, 0.0004315000000000 ] - [ 0.0002492700000000, 0.0000000000000000, -0.0005722400000000 ] - [ -0.0026001000000000, 0.0000000000000000, 0.0054701900000000 ] - [ -0.0070345600000000, -0.0043493300000000, -0.0008632600000000 ] - [ 0.0001045400000000, 0.0000000000000000, -0.0008525600000000 ] - [ 0.0013830400000000, -0.0010215400000000, -0.0020250800000000 ] - [ 0.0005073800000000, 0.0000000000000000, 0.0015959600000000 ] - [ -0.0070345600000000, 0.0043493300000000, -0.0008632600000000 ] - [ -0.0040810500000000, 0.0000000000000000, 0.0004962900000000 ] - [ 0.0013830400000000, 0.0010215400000000, -0.0020250800000000 ] - [ -0.0032646300000000, 0.0000000000000000, 0.0085333800000000 ] - [ 0.0008541700000000, 0.0001082800000000, 0.0004390400000000 ] - [ 0.0792129400000000, 0.0000000000000000, -0.0076784000000000 ] - [ 0.0028624600000000, -0.0027718400000000, -0.0042165000000000 ] - [ -0.0000800500000000, 0.0000000000000000, 0.0000352100000000 ] - [ -0.0005273200000000, -0.0000127100000000, -0.0003490400000000 ] - [ -0.0003637500000000, 0.0000000000000000, 0.0003808700000000 ] - [ -0.0018491800000000, 0.0002462900000000, 0.0002523900000000 ] - [ 0.0001285000000000, 0.0000000000000000, 0.0000516500000000 ] - [ -0.0000478900000000, 0.0000139800000000, 0.0000257500000000 ] - [ -0.0006667200000000, 0.0000000000000000, 0.0010600500000000 ] - [ 0.0000926300000000, 0.0000577100000000, 0.0002980300000000 ] - [ 0.0001153200000000, 0.0000000000000000, 0.0000456400000000 ] - [ 0.0000111900000000, -0.0000033200000000, 0.0000019300000000 ] - [ 0.0000132600000000, 0.0000000000000000, 0.0001181000000000 ] - [ 0.0000926300000000, -0.0000577100000000, 0.0002980300000000 ] - [ 0.0000156600000000, 0.0000000000000000, 0.0000719400000000 ] - [ -0.0000115800000000, 0.0000154000000000, 0.0000483500000000 ] - [ 0.0000370100000000, 0.0000000000000000, 0.0001324500000000 ] - [ 0.0001136300000000, 0.0000614800000000, 0.0000259800000000 ] - [ -0.0001381600000000, 0.0000000000000000, 0.0001360400000000 ] - [ -0.0000115800000000, -0.0000154000000000, 0.0000483500000000 ] - [ 0.0001512300000000, 0.0000000000000000, -0.0000296200000000 ] - [ 0.0001193500000000, -0.0000616100000000, 0.0000238600000000 ] - [ 0.0001457200000000, 0.0000000000000000, 0.0002063400000000 ] - [ 0.0000214100000000, 0.0000000000000000, 0.0001094700000000 ] - [ 0.0000771500000000, 0.0000500100000000, 0.0002238800000000 ] - [ 0.0000771500000000, -0.0000500100000000, 0.0002238800000000 ] - [ 0.0007126500000000, 0.0002326700000000, 0.0004315000000000 ] - [ 0.0006973900000000, 0.0000000000000000, 0.0012754500000000 ] - [ -0.0005814800000000, -0.0002084900000000, -0.0003128500000000 ] - [ -0.0003455700000000, 0.0000000000000000, 0.0004307000000000 ] - [ -0.0011896200000000, 0.0000000000000000, -0.0012336200000000 ] - [ -0.0086718700000000, -0.0049628200000000, -0.0004087200000000 ] - [ -0.0005507800000000, 0.0000000000000000, 0.0008851500000000 ] - [ -0.0015035400000000, -0.0003238300000000, 0.0003387900000000 ] - [ -0.0017124400000000, 0.0000000000000000, -0.0017127300000000 ] - [ -0.0086718700000000, 0.0049628200000000, -0.0004087200000000 ] - [ 0.0058572500000000, 0.0000000000000000, -0.0013948700000000 ] - [ -0.0015035400000000, 0.0003238300000000, 0.0003387900000000 ] - [ -0.0011268300000000, 0.0000000000000000, -0.0012333700000000 ] - [ -0.0005273200000000, 0.0000127100000000, -0.0003490400000000 ] - [ -0.0038511100000000, 0.0000000000000000, -0.0000337800000000 ] - [ -0.0018491800000000, -0.0002462900000000, 0.0002523900000000 ] - [ 0.0002135800000000, 0.0000000000000000, 0.0001285000000000 ] - [ 0.0008541700000000, -0.0001082800000000, 0.0004390400000000 ] - [ 0.0002667600000000, 0.0000000000000000, -0.0004913600000000 ] - [ 0.0028624600000000, 0.0027718400000000, -0.0042165000000000 ] - [ -0.0003263400000000, 0.0000000000000000, 0.0001528400000000 ] - [ 0.0000111900000000, 0.0000033200000000, 0.0000019300000000 ] - [ -0.0000157600000000, 0.0000000000000000, -0.0011804400000000 ] - [ -0.0000164300000000, -0.0000485100000000, -0.0000340400000000 ] - [ 0.0001397100000000, 0.0000000000000000, 0.0000253800000000 ] - [ -0.0000478900000000, -0.0000139800000000, 0.0000257500000000 ] - [ -0.0000098200000000, 0.0000000000000000, 0.0000550700000000 ] - [ -0.0000164300000000, 0.0000485100000000, -0.0000340400000000 ] - [ 0.0000522600000000, 0.0000000000000000, 0.0000477700000000 ] - [ 0.0000638500000000, 0.0000108400000000, 0.0000484900000000 ] - [ 0.0000045200000000, 0.0000000000000000, 0.0000387500000000 ] - [ 0.0001193500000000, 0.0000616100000000, 0.0000238600000000 ] - [ 0.0001043600000000, 0.0000000000000000, 0.0002177400000000 ] - [ 0.0000638500000000, -0.0000108400000000, 0.0000484900000000 ] - [ 0.0001557400000000, 0.0000000000000000, 0.0000420900000000 ] - [ 0.0001136300000000, -0.0000614800000000, 0.0000259800000000 ] - [ -0.0001944200000000, 0.0000000000000000, 0.0001670900000000 ] - [ 0.0000067500000000, 0.0000000000000000, 0.0000123800000000 ] - [ 0.0000280100000000, 0.0000127400000000, -0.0000840800000000 ] - [ 0.0000280100000000, -0.0000127400000000, -0.0000840800000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000314400000000, 0.0000560800000000, -0.0000760200000000 ] - [ -0.0000764800000000, 0.0000273500000000, -0.0000193300000000 ] - [ -0.0000600800000000, -0.0022662000000000, -0.0000072100000000 ] - [ -0.0001119200000000, -0.0038229800000000, 0.0000315500000000 ] - [ -0.0000074100000000, 0.0001089900000000, -0.0000153600000000 ] - [ 0.0000303000000000, 0.0023944000000000, -0.0000053300000000 ] - [ 0.0000217100000000, 0.0000010300000000, 0.0000191800000000 ] - [ 0.0000016200000000, 0.0000098900000000, -0.0000303900000000 ] - [ -0.0000217700000000, -0.0000071000000000, -0.0000370000000000 ] - [ 0.0001220400000000, -0.0000006500000000, -0.0000217000000000 ] - [ 0.0000312200000000, 0.0000079400000000, -0.0000754000000000 ] - [ -0.0000779700000000, -0.0013261700000000, -0.0000191000000000 ] - [ -0.0000176300000000, 0.0078961000000000, 0.0000085400000000 ] - [ -0.0001056900000000, 0.0012178500000000, 0.0000401300000000 ] - [ -0.0000069500000000, 0.0000237200000000, -0.0000146300000000 ] - [ 0.0000355400000000, -0.0000697400000000, -0.0000029600000000 ] - [ 0.0000217900000000, 0.0000007900000000, 0.0000191800000000 ] - [ 0.0000015600000000, 0.0000171400000000, -0.0000302200000000 ] - [ -0.0000215400000000, -0.0000091500000000, -0.0000370800000000 ] - [ 0.0001220600000000, -0.0000001700000000, -0.0000216000000000 ] - [ 0.0000600500000000, 0.0001252000000000, -0.0000141100000000 ] - [ 0.0000817100000000, -0.0000272800000000, -0.0000031900000000 ] - [ 0.0013034100000000, -0.0000217100000000, 0.0009283400000000 ] - [ -0.0001538400000000, 0.0048815100000000, 0.0000590000000000 ] - [ -0.0012624100000000, 0.0002756800000000, -0.0009565700000000 ] - [ -0.0009595100000000, 0.0001188500000000, -0.0008342400000000 ] - [ 0.0000008000000000, -0.0000309900000000, 0.0000219100000000 ] - [ -0.0000459000000000, -0.0003504200000000, 0.0000276600000000 ] - [ -0.0141398000000000, 0.0259193300000000, 0.0154197800000000 ] - [ 0.0000515300000000, 0.0000011300000000, -0.0000625700000000 ] - [ -0.0001621300000000, 0.0062163100000000, -0.0002355600000000 ] - [ -0.0000972100000000, -0.0000481800000000, -0.0002641700000000 ] - [ 0.0000312600000000, 0.0000390900000000, -0.0000219700000000 ] - [ -0.0000525100000000, -0.0000373200000000, 0.0000317600000000 ] - [ 0.0001354400000000, -0.0000137000000000, -0.0000183800000000 ] - [ -0.0000412800000000, 0.0000024500000000, -0.0000063200000000 ] - [ 0.0001363200000000, 0.0000139800000000, -0.0000178800000000 ] - [ 0.0000303700000000, 0.0000118200000000, -0.0000363400000000 ] - [ 0.0000154400000000, -0.0000121200000000, -0.0000469800000000 ] - [ 0.0000480800000000, -0.0000004400000000, -0.0000111800000000 ] - [ 0.0000588700000000, 0.0000047000000000, -0.0000164000000000 ] - [ 0.0000810200000000, -0.0000680200000000, -0.0000026500000000 ] - [ 0.0000395200000000, -0.0000780300000000, -0.0000599300000000 ] - [ -0.0001155400000000, -0.0062730000000000, 0.0000476100000000 ] - [ -0.0000072200000000, 0.0002042200000000, 0.0000345800000000 ] - [ 0.0150025700000000, 0.0273422900000000, -0.0165588600000000 ] - [ 0.0000010600000000, -0.0000427900000000, 0.0000221900000000 ] - [ -0.0000443400000000, 0.0002895100000000, 0.0000276000000000 ] - [ 0.0008897600000000, -0.0000634800000000, 0.0008202700000000 ] - [ 0.0000515800000000, -0.0000013500000000, -0.0000628400000000 ] - [ -0.0001695700000000, -0.0004028300000000, 0.0000017400000000 ] - [ 0.0000148300000000, -0.0000421300000000, -0.0000000900000000 ] - [ 0.0001410800000000, 0.0000336900000000, 0.0002433100000000 ] - [ -0.0000631200000000, -0.0059340600000000, 0.0000350500000000 ] - [ 0.0001347400000000, -0.0000139900000000, -0.0000197000000000 ] - [ -0.0000411200000000, 0.0000015300000000, -0.0000062500000000 ] - [ 0.0001370700000000, 0.0000138300000000, -0.0000166400000000 ] - [ 0.0000331200000000, 0.0000120600000000, -0.0000359600000000 ] - [ 0.0000182100000000, -0.0000123100000000, -0.0000461300000000 ] - [ 0.0000479900000000, 0.0000004600000000, -0.0000112700000000 ] - [ 0.0000019200000000, 0.0001330900000000, 0.0000117500000000 ] - [ -0.0000995500000000, -0.0007688500000000, 0.0001483000000000 ] - [ 0.0001497100000000, -0.0001209800000000, -0.0001193800000000 ] - [ -0.0000285900000000, -0.0003813100000000, -0.0000101000000000 ] - [ -0.0000579200000000, -0.0015292400000000, -0.0000560600000000 ] - [ 0.0067615800000000, 0.0020627400000000, 0.0013519300000000 ] - [ 0.0000715900000000, 0.0008078900000000, -0.0001184400000000 ] - [ 0.0018503600000000, 0.0021170800000000, 0.0036978400000000 ] - [ -0.0001611000000000, 0.0018297700000000, 0.0000871500000000 ] - [ -0.0068161000000000, 0.0020905300000000, -0.0012427700000000 ] - [ -0.0000451300000000, -0.0010965400000000, 0.0000104100000000 ] - [ -0.0019639900000000, 0.0021326200000000, -0.0037026600000000 ] - [ -0.0000381200000000, -0.0052969700000000, -0.0000242500000000 ] - [ -0.0003290000000000, -0.0001024600000000, 0.0002175600000000 ] - [ -0.0010268100000000, -0.0945816900000000, 0.0013136300000000 ] - [ 0.0043004400000000, 0.0037558300000000, 0.0087293300000000 ] - [ 0.0000630600000000, 0.0000041000000000, 0.0000119400000000 ] - [ -0.0000193400000000, 0.0000503500000000, -0.0000518900000000 ] - [ -0.0000188800000000, 0.0000215400000000, 0.0000256500000000 ] - [ -0.0001818300000000, -0.0001320300000000, 0.0003164900000000 ] - [ -0.0000821400000000, 0.0000061400000000, 0.0000185000000000 ] - [ -0.0000279900000000, 0.0000113100000000, -0.0000317300000000 ] - [ -0.0000796600000000, 0.0000224000000000, -0.0000765400000000 ] - [ 0.0000173300000000, -0.0000007700000000, 0.0001266300000000 ] - [ 0.0001298500000000, -0.0000003200000000, -0.0000323300000000 ] - [ -0.0000242700000000, -0.0000118800000000, -0.0000373100000000 ] - [ 0.0000097900000000, -0.0000020500000000, 0.0000405000000000 ] - [ 0.0000547700000000, 0.0000019100000000, 0.0000780700000000 ] - [ 0.0000442800000000, 0.0000001800000000, 0.0000101400000000 ] - [ 0.0000180000000000, 0.0000146000000000, 0.0000024600000000 ] - [ 0.0000266300000000, 0.0000018000000000, 0.0000198500000000 ] - [ 0.0001103000000000, 0.0000544900000000, -0.0000205400000000 ] - [ -0.0000186300000000, -0.0000038500000000, 0.0001252300000000 ] - [ 0.0000196600000000, -0.0000150100000000, -0.0000010600000000 ] - [ 0.0001610200000000, -0.0000039300000000, -0.0000407200000000 ] - [ 0.0001100700000000, -0.0000544500000000, -0.0000233600000000 ] - [ -0.0000114400000000, 0.0000003300000000, 0.0001116300000000 ] - [ 0.0000205200000000, 0.0000023500000000, -0.0000091500000000 ] - [ 0.0000442500000000, 0.0000236500000000, 0.0000441400000000 ] - [ 0.0000570100000000, -0.0000258800000000, 0.0000114700000000 ] - [ -0.0002014000000000, 0.0001505800000000, 0.0001072200000000 ] - [ -0.0001028200000000, 0.0003802500000000, 0.0001526200000000 ] - [ -0.0000525600000000, -0.0001407300000000, -0.0000217300000000 ] - [ -0.0000277200000000, 0.0000156500000000, -0.0000097900000000 ] - [ -0.0000754400000000, 0.0009469600000000, -0.0000367400000000 ] - [ 0.0050493900000000, 0.0017528000000000, 0.0000901100000000 ] - [ 0.0000747500000000, 0.0000289200000000, -0.0001207100000000 ] - [ -0.0000153600000000, -0.0000298300000000, -0.0002536700000000 ] - [ -0.0001506200000000, -0.0008476500000000, 0.0000770300000000 ] - [ -0.0052029000000000, 0.0017547400000000, -0.0000020700000000 ] - [ -0.0000512700000000, 0.0228919200000000, 0.0000280000000000 ] - [ -0.0000970400000000, -0.0000309300000000, 0.0002326900000000 ] - [ -0.0000300200000000, 0.0009708000000000, -0.0000319300000000 ] - [ 0.0000010000000000, -0.0000767300000000, -0.0000839400000000 ] - [ -0.0000209900000000, 0.0012051300000000, -0.0000488300000000 ] - [ 0.0001957300000000, 0.0000850700000000, -0.0002872800000000 ] - [ 0.0000632500000000, -0.0000011200000000, 0.0000120300000000 ] - [ 0.0003131700000000, 0.0000230500000000, -0.0003515600000000 ] - [ -0.0000187000000000, -0.0006584800000000, 0.0000246300000000 ] - [ -0.0043227300000000, 0.0035108900000000, -0.0087632200000000 ] - [ -0.0000828500000000, -0.0000055300000000, 0.0000188600000000 ] - [ -0.0000284300000000, 0.0000110400000000, -0.0000306900000000 ] - [ -0.0000779900000000, 0.0007185200000000, -0.0000790500000000 ] - [ 0.0000712000000000, 0.0000131900000000, 0.0001591600000000 ] - [ 0.0001298700000000, -0.0000000700000000, -0.0000323300000000 ] - [ -0.0000248400000000, -0.0000116400000000, -0.0000362400000000 ] - [ 0.0000097100000000, -0.0000058500000000, 0.0000404000000000 ] - [ 0.0000007300000000, 0.0000159700000000, 0.0000449400000000 ] - [ 0.0000441800000000, -0.0000000500000000, 0.0000101800000000 ] - [ 0.0000173800000000, 0.0000148100000000, 0.0000019800000000 ] - [ 0.0000266000000000, 0.0000064100000000, 0.0000197600000000 ] - [ 0.0001101000000000, 0.0000544600000000, -0.0000206300000000 ] - [ -0.0000187400000000, 0.0000001600000000, 0.0001247700000000 ] - [ 0.0000201400000000, -0.0000148200000000, -0.0000006200000000 ] - [ 0.0001610400000000, -0.0000020700000000, -0.0000408100000000 ] - [ 0.0001097900000000, -0.0000544100000000, -0.0000235400000000 ] - [ -0.0000110200000000, 0.0000038600000000, 0.0001118500000000 ] - [ 0.0000205500000000, 0.0000048500000000, -0.0000092400000000 ] - [ 0.0000641400000000, 0.0000301500000000, 0.0000529500000000 ] - [ 0.0000368600000000, -0.0000193800000000, 0.0000032000000000 ]- atom: 75 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0000011300000000, 0.0000000000000000, -0.0018806900000000 ] - [ -0.0000565800000000, 0.0000000000000000, 0.0003933100000000 ] - [ 0.0004524300000000, 0.0000000000000000, 0.0032004200000000 ] - [ -0.0020985500000000, 0.0000000000000000, 0.0068974200000000 ] - [ 0.0003324000000000, 0.0000000000000000, -0.0014232400000000 ] - [ 0.0004955700000000, 0.0000000000000000, -0.0039043500000000 ] - [ 0.0000261900000000, 0.0000000000000000, -0.0011642500000000 ] - [ 0.0000038000000000, 0.0000000000000000, -0.0013101800000000 ] - [ 0.0000270900000000, 0.0000000000000000, -0.0011687500000000 ] - [ 0.0000696400000000, 0.0000000000000000, -0.0013512700000000 ] - [ 0.0001359700000000, 0.0000000000000000, -0.0012687900000000 ] - [ 0.0033764400000000, 0.0000000000000000, -0.0024404900000000 ] - [ 0.0072309600000000, 0.0000000000000000, 0.0164845200000000 ] - [ 0.0018414100000000, 0.0000000000000000, 0.0046803900000000 ] - [ -0.0008852000000000, 0.0000000000000000, -0.0010295200000000 ] - [ -0.0002361400000000, 0.0000000000000000, 0.0000169500000000 ] - [ -0.0000243400000000, 0.0000000000000000, -0.0011204900000000 ] - [ -0.0000931700000000, 0.0000000000000000, -0.0014880800000000 ] - [ -0.0000712000000000, 0.0000000000000000, -0.0012683300000000 ] - [ 0.0000863600000000, 0.0000000000000000, -0.0013893000000000 ] - [ 0.0003876600000000, 0.0000000000000000, -0.0030376100000000 ] - [ -0.0007328400000000, 0.0000000000000000, -0.0018777400000000 ] - [ -0.0050463500000000, -0.0010471400000000, -0.0016718700000000 ] - [ -0.0028757500000000, 0.0000000000000000, 0.0056065200000000 ] - [ -0.0050463500000000, 0.0010471400000000, -0.0016718700000000 ] - [ -0.0008425900000000, 0.0002070900000000, 0.0044310400000000 ] - [ 0.0003790700000000, 0.0000000000000000, -0.0019306500000000 ] - [ 0.0016725200000000, 0.0000000000000000, -0.0008228000000000 ] - [ -0.0061349100000000, 0.0138329800000000, 0.0237586500000000 ] - [ 0.0000532200000000, 0.0000000000000000, -0.0017934600000000 ] - [ 0.0070517200000000, 0.0000000000000000, 0.0938552300000000 ] - [ 0.0001493000000000, 0.0004790500000000, -0.0026109100000000 ] - [ 0.0002356400000000, -0.0002789100000000, -0.0012948000000000 ] - [ 0.0051761800000000, 0.0000000000000000, 0.0001915700000000 ] - [ 0.0001312000000000, 0.0000775100000000, -0.0018123500000000 ] - [ 0.0000487800000000, 0.0000000000000000, -0.0019278300000000 ] - [ 0.0001312000000000, -0.0000775100000000, -0.0018123500000000 ] - [ 0.0000851400000000, 0.0000718000000000, -0.0019690200000000 ] - [ -0.0001745500000000, -0.0000583100000000, -0.0018171800000000 ] - [ 0.0001066300000000, 0.0000000000000000, -0.0019356200000000 ] - [ -0.0001924900000000, 0.0000000000000000, -0.0012398700000000 ] - [ 0.0007300400000000, 0.0000000000000000, -0.0020751100000000 ] - [ 0.0022159400000000, -0.0030744300000000, -0.0011194000000000 ] - [ 0.0007219400000000, 0.0000000000000000, 0.0071289500000000 ] - [ 0.0022159400000000, 0.0030744300000000, -0.0011194000000000 ] - [ -0.0061349100000000, -0.0138329800000000, 0.0237586500000000 ] - [ -0.0002584500000000, 0.0000000000000000, -0.0018317200000000 ] - [ -0.0015384800000000, 0.0000000000000000, -0.0001710100000000 ] - [ -0.0008425900000000, -0.0002070900000000, 0.0044310400000000 ] - [ 0.0001692900000000, 0.0000000000000000, -0.0020978900000000 ] - [ -0.0010785100000000, 0.0000000000000000, 0.0043085900000000 ] - [ 0.0002356400000000, 0.0002789100000000, -0.0012948000000000 ] - [ 0.0001493000000000, -0.0004790500000000, -0.0026109100000000 ] - [ -0.0053618500000000, 0.0000000000000000, -0.0008435000000000 ] - [ 0.0000679800000000, 0.0000948600000000, -0.0018707200000000 ] - [ -0.0000212100000000, 0.0000000000000000, -0.0020014300000000 ] - [ 0.0000679800000000, -0.0000948600000000, -0.0018707200000000 ] - [ -0.0001745500000000, 0.0000583100000000, -0.0018171800000000 ] - [ 0.0000851400000000, -0.0000718000000000, -0.0019690200000000 ] - [ 0.0001021800000000, 0.0000000000000000, -0.0019491800000000 ] - [ 0.0004816900000000, 0.0001583500000000, 0.0004537200000000 ] - [ 0.0017524600000000, 0.0000000000000000, -0.0022183200000000 ] - [ -0.0006792300000000, -0.0005688300000000, 0.0015236200000000 ] - [ 0.0008276000000000, 0.0000000000000000, 0.0018011100000000 ] - [ -0.0094226500000000, 0.0000000000000000, 0.0058430200000000 ] - [ -0.0004666700000000, 0.0009589600000000, -0.0059570700000000 ] - [ 0.0013174300000000, 0.0000000000000000, 0.0029992600000000 ] - [ 0.0046221400000000, 0.0063692600000000, 0.0060685900000000 ] - [ -0.0017659600000000, 0.0000000000000000, -0.0018477200000000 ] - [ -0.0004666700000000, -0.0009589600000000, -0.0059570700000000 ] - [ 0.0007281300000000, 0.0000000000000000, -0.0027107200000000 ] - [ 0.0046221400000000, -0.0063692600000000, 0.0060685900000000 ] - [ -0.0114217800000000, 0.0000000000000000, 0.0078398900000000 ] - [ -0.0004576900000000, 0.0001387400000000, 0.0015312300000000 ] - [ -0.0023220200000000, 0.0000000000000000, -0.1848062200000000 ] - [ 0.0059379100000000, 0.0093944600000000, 0.0099769000000000 ] - [ 0.0000593100000000, 0.0000000000000000, 0.0012343400000000 ] - [ 0.0003430900000000, 0.0001124000000000, 0.0002007000000000 ] - [ -0.0005626300000000, 0.0000000000000000, 0.0004131200000000 ] - [ -0.0008994700000000, 0.0005257800000000, -0.0015840700000000 ] - [ -0.0004705700000000, 0.0000000000000000, 0.0014557700000000 ] - [ 0.0000957800000000, -0.0000885100000000, 0.0010172700000000 ] - [ -0.0010465500000000, 0.0000000000000000, 0.0014719600000000 ] - [ -0.0000324000000000, 0.0001255200000000, 0.0011371700000000 ] - [ 0.0000518300000000, 0.0000000000000000, 0.0015335200000000 ] - [ 0.0001312000000000, 0.0001113400000000, 0.0011401900000000 ] - [ -0.0002545700000000, 0.0000000000000000, 0.0011983000000000 ] - [ -0.0000324000000000, -0.0001255200000000, 0.0011371700000000 ] - [ -0.0001755400000000, 0.0000000000000000, 0.0011528100000000 ] - [ 0.0001365200000000, -0.0000888700000000, 0.0010811200000000 ] - [ -0.0000918100000000, 0.0000000000000000, 0.0016151900000000 ] - [ 0.0002633200000000, 0.0001796900000000, 0.0011014800000000 ] - [ -0.0000119400000000, 0.0000000000000000, 0.0013435600000000 ] - [ 0.0001365200000000, 0.0000888700000000, 0.0010811200000000 ] - [ 0.0000103100000000, 0.0000000000000000, 0.0011175300000000 ] - [ 0.0002503900000000, -0.0001763800000000, 0.0010957300000000 ] - [ -0.0001726500000000, 0.0000000000000000, 0.0015455500000000 ] - [ -0.0000889300000000, 0.0000000000000000, 0.0016108900000000 ] - [ -0.0000015800000000, 0.0000481400000000, 0.0011653500000000 ] - [ -0.0000015800000000, -0.0000481400000000, 0.0011653500000000 ] - [ -0.0006792300000000, 0.0005688300000000, 0.0015236200000000 ] - [ -0.0013098500000000, 0.0000000000000000, -0.0025002400000000 ] - [ 0.0004816900000000, -0.0001583500000000, 0.0004537200000000 ] - [ -0.0004520000000000, 0.0000000000000000, 0.0003144200000000 ] - [ 0.0028767600000000, 0.0000000000000000, -0.0022555900000000 ] - [ 0.0003160600000000, 0.0005171700000000, -0.0047722400000000 ] - [ -0.0010195700000000, 0.0000000000000000, 0.0012146200000000 ] - [ -0.0010356300000000, -0.0006923300000000, -0.0018866400000000 ] - [ 0.0018418200000000, 0.0000000000000000, -0.0016974500000000 ] - [ 0.0003160600000000, -0.0005171700000000, -0.0047722400000000 ] - [ 0.0005873400000000, 0.0000000000000000, -0.0082972500000000 ] - [ -0.0010356300000000, 0.0006923300000000, -0.0018866400000000 ] - [ 0.0028925000000000, 0.0000000000000000, -0.0021892800000000 ] - [ 0.0003430900000000, -0.0001124000000000, 0.0002007000000000 ] - [ 0.0005154000000000, 0.0000000000000000, -0.0039181400000000 ] - [ -0.0008994700000000, -0.0005257800000000, -0.0015840700000000 ] - [ -0.0000748800000000, 0.0000000000000000, 0.0017515000000000 ] - [ -0.0004576900000000, -0.0001387400000000, 0.0015312300000000 ] - [ 0.0006596400000000, 0.0000000000000000, 0.0016430800000000 ] - [ 0.0059379100000000, -0.0093944600000000, 0.0099769000000000 ] - [ -0.0002652200000000, 0.0000000000000000, 0.0010000000000000 ] - [ 0.0001312000000000, -0.0001113400000000, 0.0011401900000000 ] - [ 0.0006817000000000, 0.0000000000000000, 0.0034818400000000 ] - [ 0.0004810300000000, 0.0002421100000000, 0.0014126000000000 ] - [ 0.0000725000000000, 0.0000000000000000, 0.0015935200000000 ] - [ 0.0000957800000000, 0.0000885100000000, 0.0010172700000000 ] - [ -0.0001209700000000, 0.0000000000000000, 0.0011944100000000 ] - [ 0.0004810300000000, -0.0002421100000000, 0.0014126000000000 ] - [ -0.0001598600000000, 0.0000000000000000, 0.0011947800000000 ] - [ 0.0001758400000000, -0.0001032800000000, 0.0011677200000000 ] - [ 0.0000007400000000, 0.0000000000000000, 0.0016584000000000 ] - [ 0.0002503900000000, 0.0001763800000000, 0.0010957300000000 ] - [ -0.0001102200000000, 0.0000000000000000, 0.0017809100000000 ] - [ 0.0001758400000000, 0.0001032800000000, 0.0011677200000000 ] - [ -0.0000804700000000, 0.0000000000000000, 0.0011321800000000 ] - [ 0.0002633200000000, -0.0001796900000000, 0.0011014800000000 ] - [ -0.0000425800000000, 0.0000000000000000, 0.0012018200000000 ] - [ -0.0000153700000000, 0.0000000000000000, 0.0016165900000000 ] - [ 0.0003666900000000, 0.0000911300000000, 0.0013363900000000 ] - [ 0.0003666900000000, -0.0000911300000000, 0.0013363900000000 ]- atom: 75 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0000697700000000, 0.0000000000000000, 0.0017187900000000 ] - [ -0.0000910400000000, 0.0000000000000000, -0.0004222100000000 ] - [ -0.0005503800000000, 0.0000000000000000, -0.0032394500000000 ] - [ 0.0018817700000000, 0.0000000000000000, -0.0067285700000000 ] - [ -0.0003435100000000, 0.0000000000000000, 0.0013897400000000 ] - [ -0.0004286600000000, 0.0000000000000000, 0.0039053900000000 ] - [ 0.0000140000000000, 0.0000000000000000, 0.0012039400000000 ] - [ 0.0000029600000000, 0.0000000000000000, 0.0012468600000000 ] - [ -0.0000795600000000, 0.0000000000000000, 0.0010856700000000 ] - [ 0.0001741900000000, 0.0000000000000000, 0.0012993400000000 ] - [ -0.0000659800000000, 0.0000000000000000, 0.0011099200000000 ] - [ -0.0035061800000000, 0.0000000000000000, 0.0023949500000000 ] - [ -0.0081572000000000, 0.0000000000000000, -0.0169167300000000 ] - [ -0.0020368900000000, 0.0000000000000000, -0.0045495300000000 ] - [ 0.0008785300000000, 0.0000000000000000, 0.0009960900000000 ] - [ 0.0003094800000000, 0.0000000000000000, -0.0000222900000000 ] - [ 0.0000662200000000, 0.0000000000000000, 0.0011589200000000 ] - [ 0.0000970000000000, 0.0000000000000000, 0.0014255100000000 ] - [ 0.0000170200000000, 0.0000000000000000, 0.0011842300000000 ] - [ 0.0001564100000000, 0.0000000000000000, 0.0013385300000000 ] - [ -0.0002492800000000, 0.0000000000000000, 0.0029842800000000 ] - [ 0.0008820400000000, 0.0000000000000000, 0.0018457300000000 ] - [ 0.0050475000000000, 0.0007507500000000, 0.0016486600000000 ] - [ 0.0025822500000000, 0.0000000000000000, -0.0054145300000000 ] - [ 0.0050475000000000, -0.0007507500000000, 0.0016486600000000 ] - [ 0.0007674100000000, -0.0000306100000000, -0.0044619500000000 ] - [ -0.0003830700000000, 0.0000000000000000, 0.0019677600000000 ] - [ -0.0017611000000000, 0.0000000000000000, 0.0008623100000000 ] - [ 0.0064110100000000, -0.0145353000000000, -0.0239489400000000 ] - [ 0.0000538900000000, 0.0000000000000000, 0.0016677100000000 ] - [ -0.0072358400000000, 0.0000000000000000, -0.0881186100000000 ] - [ -0.0001087200000000, -0.0005661600000000, 0.0025847000000000 ] - [ -0.0001914700000000, 0.0003647300000000, 0.0012661100000000 ] - [ -0.0053059400000000, 0.0000000000000000, -0.0001507000000000 ] - [ 0.0001421600000000, -0.0001028400000000, 0.0017745200000000 ] - [ -0.0001284100000000, 0.0000000000000000, 0.0019091500000000 ] - [ 0.0001421600000000, 0.0001028400000000, 0.0017745200000000 ] - [ -0.0000335900000000, -0.0000383300000000, 0.0018730800000000 ] - [ 0.0002251100000000, 0.0000244100000000, 0.0017222100000000 ] - [ -0.0000132000000000, 0.0000000000000000, 0.0019064700000000 ] - [ 0.0003290700000000, 0.0000000000000000, 0.0012016600000000 ] - [ -0.0005699800000000, 0.0000000000000000, 0.0020409800000000 ] - [ -0.0021645100000000, 0.0027652200000000, 0.0010997600000000 ] - [ -0.0010497400000000, 0.0000000000000000, -0.0069357600000000 ] - [ -0.0021645100000000, -0.0027652200000000, 0.0010997600000000 ] - [ 0.0064110100000000, 0.0145353000000000, -0.0239489400000000 ] - [ 0.0002539700000000, 0.0000000000000000, 0.0018684300000000 ] - [ 0.0014549000000000, 0.0000000000000000, 0.0002200200000000 ] - [ 0.0007674100000000, 0.0000306100000000, -0.0044619500000000 ] - [ -0.0000623600000000, 0.0000000000000000, 0.0019718300000000 ] - [ 0.0007316200000000, 0.0000000000000000, -0.0042627600000000 ] - [ -0.0001914700000000, -0.0003647300000000, 0.0012661100000000 ] - [ -0.0001087200000000, 0.0005661600000000, 0.0025847000000000 ] - [ 0.0052318900000000, 0.0000000000000000, 0.0008823900000000 ] - [ 0.0002038300000000, -0.0001210300000000, 0.0018336300000000 ] - [ -0.0000592500000000, 0.0000000000000000, 0.0019820800000000 ] - [ 0.0002038300000000, 0.0001210300000000, 0.0018336300000000 ] - [ 0.0002251100000000, -0.0000244100000000, 0.0017222100000000 ] - [ -0.0000335900000000, 0.0000383300000000, 0.0018730800000000 ] - [ -0.0000089500000000, 0.0000000000000000, 0.0019205200000000 ] - [ -0.0005236300000000, 0.0001211900000000, -0.0004732000000000 ] - [ -0.0019279400000000, 0.0000000000000000, 0.0024750600000000 ] - [ 0.0006310800000000, 0.0002859000000000, -0.0015341400000000 ] - [ -0.0008774700000000, 0.0000000000000000, -0.0018143300000000 ] - [ 0.0091101600000000, 0.0000000000000000, -0.0058492000000000 ] - [ 0.0002886700000000, -0.0009935600000000, 0.0060086300000000 ] - [ -0.0011705600000000, 0.0000000000000000, -0.0032234000000000 ] - [ -0.0046654800000000, -0.0062329000000000, -0.0059997400000000 ] - [ 0.0014579700000000, 0.0000000000000000, 0.0020346700000000 ] - [ 0.0002886700000000, 0.0009935600000000, 0.0060086300000000 ] - [ -0.0008167900000000, 0.0000000000000000, 0.0027297200000000 ] - [ -0.0046654800000000, 0.0062329000000000, -0.0059997400000000 ] - [ 0.0114621000000000, 0.0000000000000000, -0.0079700900000000 ] - [ 0.0004487900000000, -0.0002693400000000, -0.0016549700000000 ] - [ 0.0022796300000000, 0.0000000000000000, 0.1797337800000000 ] - [ -0.0059896600000000, -0.0092898700000000, -0.0100574500000000 ] - [ 0.0000716700000000, 0.0000000000000000, -0.0012035000000000 ] - [ -0.0003564800000000, 0.0000195500000000, -0.0003268800000000 ] - [ 0.0005238700000000, 0.0000000000000000, -0.0003496500000000 ] - [ 0.0009099500000000, -0.0007534000000000, 0.0016232100000000 ] - [ 0.0003048400000000, 0.0000000000000000, -0.0014209800000000 ] - [ -0.0001437900000000, 0.0001089100000000, -0.0010797100000000 ] - [ 0.0008810800000000, 0.0000000000000000, -0.0016330100000000 ] - [ 0.0000987100000000, -0.0001322500000000, -0.0009326900000000 ] - [ 0.0002136900000000, 0.0000000000000000, -0.0015816700000000 ] - [ -0.0001796400000000, -0.0001318700000000, -0.0012027800000000 ] - [ 0.0002759900000000, 0.0000000000000000, -0.0011111800000000 ] - [ 0.0000987100000000, 0.0001322500000000, -0.0009326900000000 ] - [ 0.0002622900000000, 0.0000000000000000, -0.0011333600000000 ] - [ -0.0000957300000000, 0.0001174500000000, -0.0010711400000000 ] - [ 0.0001405300000000, 0.0000000000000000, -0.0015710800000000 ] - [ -0.0000474400000000, -0.0000771000000000, -0.0011454300000000 ] - [ -0.0000199500000000, 0.0000000000000000, -0.0010756900000000 ] - [ -0.0000957300000000, -0.0001174500000000, -0.0010711400000000 ] - [ 0.0003172900000000, 0.0000000000000000, -0.0011896200000000 ] - [ -0.0000352300000000, 0.0000778700000000, -0.0011403300000000 ] - [ 0.0001305000000000, 0.0000000000000000, -0.0013028500000000 ] - [ 0.0001334000000000, 0.0000000000000000, -0.0016215700000000 ] - [ 0.0001125800000000, 0.0000128900000000, -0.0010972500000000 ] - [ 0.0001125800000000, -0.0000128900000000, -0.0010972500000000 ] - [ 0.0006310800000000, -0.0002859000000000, -0.0015341400000000 ] - [ 0.0011128300000000, 0.0000000000000000, 0.0027598900000000 ] - [ -0.0005236300000000, -0.0001211900000000, -0.0004732000000000 ] - [ 0.0003922500000000, 0.0000000000000000, -0.0003399700000000 ] - [ -0.0030298900000000, 0.0000000000000000, 0.0021410900000000 ] - [ -0.0003915000000000, -0.0005168600000000, 0.0048498200000000 ] - [ 0.0011499500000000, 0.0000000000000000, -0.0014518000000000 ] - [ 0.0009092100000000, 0.0007053000000000, 0.0018434500000000 ] - [ -0.0021384700000000, 0.0000000000000000, 0.0018616400000000 ] - [ -0.0003915000000000, 0.0005168600000000, 0.0048498200000000 ] - [ -0.0006576000000000, 0.0000000000000000, 0.0082853100000000 ] - [ 0.0009092100000000, -0.0007053000000000, 0.0018434500000000 ] - [ -0.0029717200000000, 0.0000000000000000, 0.0021307200000000 ] - [ -0.0003564800000000, -0.0000195500000000, -0.0003268800000000 ] - [ -0.0005802800000000, 0.0000000000000000, 0.0037879900000000 ] - [ 0.0009099500000000, 0.0007534000000000, 0.0016232100000000 ] - [ 0.0002070600000000, 0.0000000000000000, -0.0017193600000000 ] - [ 0.0004487900000000, 0.0002693400000000, -0.0016549700000000 ] - [ -0.0006960300000000, 0.0000000000000000, -0.0015815800000000 ] - [ -0.0059896600000000, 0.0092898700000000, -0.0100574500000000 ] - [ 0.0000930200000000, 0.0000000000000000, -0.0009648600000000 ] - [ -0.0001796400000000, 0.0001318700000000, -0.0012027800000000 ] - [ -0.0008478700000000, 0.0000000000000000, -0.0036528300000000 ] - [ -0.0004136200000000, -0.0002453700000000, -0.0012088900000000 ] - [ 0.0001922800000000, 0.0000000000000000, -0.0016414800000000 ] - [ -0.0001437900000000, -0.0001089100000000, -0.0010797100000000 ] - [ 0.0001420300000000, 0.0000000000000000, -0.0011078800000000 ] - [ -0.0004136200000000, 0.0002453700000000, -0.0012088900000000 ] - [ 0.0002504400000000, 0.0000000000000000, -0.0011747200000000 ] - [ -0.0001349300000000, 0.0001311100000000, -0.0011571900000000 ] - [ 0.0000464100000000, 0.0000000000000000, -0.0016180000000000 ] - [ -0.0000352300000000, -0.0000778700000000, -0.0011403300000000 ] - [ 0.0000778100000000, 0.0000000000000000, -0.0015094300000000 ] - [ -0.0001349300000000, -0.0001311100000000, -0.0011571900000000 ] - [ 0.0004071600000000, 0.0000000000000000, -0.0012039600000000 ] - [ -0.0000474400000000, 0.0000771000000000, -0.0011454300000000 ] - [ 0.0000012500000000, 0.0000000000000000, -0.0009616900000000 ] - [ 0.0000618500000000, 0.0000000000000000, -0.0016246400000000 ] - [ -0.0002531900000000, -0.0000301300000000, -0.0012673600000000 ] - [ -0.0002531900000000, 0.0000301300000000, -0.0012673600000000 ]- atom: 76 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0000567900000000, -0.0000008500000000, -0.0003035300000000 ] - [ -0.0005002400000000, 0.0000649000000000, 0.0001250600000000 ] - [ -0.0038424600000000, -0.0001916300000000, -0.0009690500000000 ] - [ -0.0008481300000000, -0.0000690500000000, -0.0012004600000000 ] - [ -0.0004720000000000, -0.0007013700000000, 0.0011989900000000 ] - [ 0.0123874600000000, 0.0029982200000000, -0.0026872300000000 ] - [ 0.0000862100000000, -0.0000004800000000, -0.0000747500000000 ] - [ -0.0002610300000000, -0.0000486600000000, 0.0000486700000000 ] - [ -0.0000459200000000, -0.0000003800000000, -0.0001310600000000 ] - [ 0.0001100300000000, -0.0000000200000000, -0.0001339800000000 ] - [ 0.0000166400000000, -0.0000046900000000, -0.0001104100000000 ] - [ 0.0005108400000000, -0.0000512600000000, -0.0004391900000000 ] - [ 0.0116991000000000, -0.0009821600000000, -0.0009997900000000 ] - [ -0.0005848800000000, 0.0009293900000000, 0.0015717000000000 ] - [ -0.0008492400000000, 0.0000805600000000, -0.0009814000000000 ] - [ -0.0031389200000000, 0.0000965600000000, -0.0011698800000000 ] - [ -0.0000732200000000, -0.0000032100000000, -0.0001026500000000 ] - [ 0.0003544300000000, 0.0000536700000000, -0.0004297600000000 ] - [ -0.0000062000000000, -0.0000004700000000, -0.0001709200000000 ] - [ 0.0001285800000000, 0.0000005500000000, -0.0001700200000000 ] - [ 0.0002928200000000, -0.0000017600000000, -0.0003066800000000 ] - [ -0.0000509600000000, 0.0000053400000000, -0.0002630000000000 ] - [ -0.0004200500000000, -0.0001133400000000, -0.0005304100000000 ] - [ -0.0031047400000000, 0.0000657200000000, -0.0006955100000000 ] - [ -0.0005205700000000, 0.0001173200000000, -0.0005993200000000 ] - [ -0.0069385600000000, 0.0006517000000000, 0.0030529700000000 ] - [ 0.0002211300000000, 0.0001449600000000, 0.0004926400000000 ] - [ -0.0019142700000000, 0.0020229500000000, 0.0057017500000000 ] - [ 0.0422942600000000, -0.0042670600000000, 0.0232120800000000 ] - [ -0.0001815200000000, 0.0000225400000000, -0.0002986900000000 ] - [ 0.0008576100000000, 0.0005784100000000, -0.0027300300000000 ] - [ 0.0039240800000000, 0.0003831200000000, -0.0006488700000000 ] - [ -0.0017524700000000, 0.0000395500000000, 0.0001212300000000 ] - [ -0.0073404700000000, 0.0006135500000000, 0.0018009300000000 ] - [ 0.0000776600000000, -0.0000128000000000, -0.0000898500000000 ] - [ -0.0000553000000000, 0.0000004400000000, -0.0001698800000000 ] - [ 0.0000706300000000, 0.0000131700000000, -0.0001013600000000 ] - [ 0.0000499300000000, 0.0000237700000000, -0.0002165200000000 ] - [ -0.0000112700000000, -0.0000180100000000, -0.0002214600000000 ] - [ 0.0000032000000000, -0.0000004900000000, -0.0001992600000000 ] - [ -0.0001405600000000, -0.0000117600000000, -0.0000937900000000 ] - [ 0.0001830600000000, 0.0000027100000000, -0.0001307300000000 ] - [ 0.0002634000000000, -0.0003015500000000, 0.0001953900000000 ] - [ 0.0049519100000000, -0.0024029500000000, 0.0024732000000000 ] - [ 0.0003753300000000, 0.0003050200000000, 0.0003814400000000 ] - [ 0.0036662400000000, -0.0005633400000000, -0.0018669000000000 ] - [ -0.0004430200000000, -0.0001506400000000, -0.0006240400000000 ] - [ -0.0028527300000000, 0.0012025400000000, -0.0043766400000000 ] - [ -0.0036254800000000, -0.0007215900000000, 0.0037791200000000 ] - [ 0.0002604700000000, 0.0000138600000000, -0.0000731100000000 ] - [ -0.0013214900000000, -0.0002133800000000, 0.0010149400000000 ] - [ -0.0015589400000000, -0.0000297100000000, 0.0002018400000000 ] - [ 0.0031670300000000, -0.0004449300000000, -0.0010674900000000 ] - [ 0.0228703400000000, 0.0272823300000000, 0.0098198900000000 ] - [ 0.0002222800000000, 0.0000234000000000, -0.0003034700000000 ] - [ -0.0000156700000000, 0.0000001600000000, -0.0002138400000000 ] - [ 0.0002226300000000, -0.0000228300000000, -0.0002948400000000 ] - [ -0.0000115300000000, 0.0000181500000000, -0.0002213200000000 ] - [ 0.0000509700000000, -0.0000236000000000, -0.0002165300000000 ] - [ 0.0000990400000000, 0.0000003800000000, -0.0001896600000000 ] - [ 0.0001996400000000, 0.0001011800000000, 0.0001018700000000 ] - [ 0.0004441600000000, -0.0000308500000000, 0.0005959000000000 ] - [ -0.0002131400000000, -0.0001767200000000, 0.0000775400000000 ] - [ -0.0000128800000000, -0.0000219800000000, 0.0003428400000000 ] - [ -0.0012501100000000, -0.0002244100000000, -0.0000811100000000 ] - [ 0.0017862200000000, -0.0001548100000000, 0.0016937300000000 ] - [ 0.0001417400000000, 0.0000404400000000, 0.0002788500000000 ] - [ 0.0002511000000000, 0.0001961200000000, 0.0011829500000000 ] - [ 0.0068911600000000, -0.0068545000000000, -0.0013529100000000 ] - [ 0.0017588100000000, 0.0000658900000000, 0.0013752400000000 ] - [ 0.0022801200000000, -0.0001880100000000, -0.0011685600000000 ] - [ 0.0000222300000000, -0.0001347200000000, 0.0008266200000000 ] - [ 0.0133559100000000, 0.0097387000000000, -0.0016202800000000 ] - [ 0.0003656000000000, 0.0000670000000000, -0.0067168400000000 ] - [ -0.0028917000000000, 0.0043361400000000, 0.0064041200000000 ] - [ -0.1114895200000000, -0.0322954400000000, -0.0318763900000000 ] - [ 0.0005837500000000, -0.0000107400000000, 0.0002928200000000 ] - [ 0.0014732400000000, 0.0002141300000000, 0.0010585800000000 ] - [ 0.0019183300000000, -0.0000441800000000, -0.0008855700000000 ] - [ 0.0037247100000000, -0.0007334400000000, 0.0003041800000000 ] - [ -0.0010857700000000, -0.0002581500000000, 0.0000345600000000 ] - [ 0.0001133800000000, -0.0000135700000000, 0.0000262400000000 ] - [ 0.0013593000000000, 0.0000346700000000, -0.0012945200000000 ] - [ 0.0003660300000000, -0.0000423000000000, -0.0004752300000000 ] - [ 0.0001510400000000, 0.0000016400000000, 0.0000932600000000 ] - [ -0.0001485700000000, -0.0000306700000000, 0.0000685400000000 ] - [ -0.0000258900000000, 0.0000062000000000, 0.0000196200000000 ] - [ 0.0001515800000000, 0.0000445900000000, -0.0002151400000000 ] - [ 0.0000599500000000, -0.0000012200000000, 0.0000917600000000 ] - [ 0.0000413500000000, 0.0000064100000000, 0.0000970300000000 ] - [ -0.0000201800000000, -0.0000055200000000, -0.0000032100000000 ] - [ 0.0001599800000000, 0.0000796900000000, 0.0001234700000000 ] - [ 0.0000107600000000, 0.0000004300000000, 0.0002497900000000 ] - [ 0.0000413900000000, -0.0000062200000000, 0.0000968800000000 ] - [ 0.0001408600000000, 0.0000000800000000, 0.0000747300000000 ] - [ 0.0000971900000000, -0.0000605600000000, 0.0000541700000000 ] - [ -0.0000605500000000, -0.0000012600000000, 0.0002432500000000 ] - [ 0.0000140800000000, 0.0000001600000000, 0.0001448400000000 ] - [ 0.0000398300000000, 0.0000245800000000, 0.0001014700000000 ] - [ 0.0000397800000000, -0.0000248000000000, 0.0001016300000000 ] - [ -0.0002418800000000, 0.0001823000000000, 0.0000630500000000 ] - [ -0.0008432800000000, 0.0001834700000000, -0.0003775600000000 ] - [ 0.0001747300000000, -0.0001053600000000, 0.0001247900000000 ] - [ -0.0000450200000000, 0.0000140300000000, -0.0000999200000000 ] - [ 0.0007164500000000, 0.0000423800000000, 0.0001324100000000 ] - [ 0.0024150000000000, 0.0002634400000000, -0.0072212700000000 ] - [ 0.0000106800000000, -0.0000205000000000, -0.0001868200000000 ] - [ 0.0002867400000000, -0.0000519000000000, -0.0008971600000000 ] - [ 0.0084235700000000, -0.0051137000000000, -0.0007909800000000 ] - [ -0.0015693600000000, -0.0003740300000000, -0.0018394600000000 ] - [ -0.0033929200000000, -0.0033966700000000, 0.0041403100000000 ] - [ 0.0000670300000000, 0.0000416900000000, -0.0004845000000000 ] - [ 0.0090762800000000, 0.0041767600000000, -0.0017626900000000 ] - [ 0.0014075500000000, -0.0003010400000000, 0.0010481200000000 ] - [ 0.0018358000000000, 0.0001888800000000, -0.0012325100000000 ] - [ 0.0053342600000000, 0.0010492600000000, 0.0006082600000000 ] - [ -0.0008017600000000, 0.0003203900000000, -0.0003121100000000 ] - [ -0.0018029700000000, 0.0000405500000000, -0.0019085600000000 ] - [ -0.0019803200000000, -0.0017604600000000, 0.0038072500000000 ] - [ -0.0066622200000000, 0.0024727800000000, -0.0012727800000000 ] - [ 0.0005531000000000, 0.0000206000000000, 0.0000918900000000 ] - [ -0.0001768000000000, 0.0000362000000000, 0.0000650600000000 ] - [ -0.0015045100000000, 0.0019315100000000, 0.0049180300000000 ] - [ 0.0003572900000000, 0.0002561600000000, 0.0011705500000000 ] - [ 0.0000924300000000, 0.0000021100000000, 0.0001375900000000 ] - [ 0.0001030700000000, 0.0000139800000000, 0.0000494000000000 ] - [ 0.0000265600000000, -0.0000183600000000, 0.0003027700000000 ] - [ 0.0001289400000000, -0.0001428100000000, 0.0008120600000000 ] - [ -0.0000202700000000, -0.0000011500000000, 0.0001496800000000 ] - [ 0.0000226500000000, 0.0000052700000000, 0.0001185700000000 ] - [ 0.0000635600000000, 0.0000203000000000, 0.0004242800000000 ] - [ 0.0000964800000000, 0.0000606300000000, 0.0000548100000000 ] - [ -0.0000572900000000, 0.0000014100000000, 0.0002838000000000 ] - [ 0.0000228500000000, -0.0000050500000000, 0.0001188200000000 ] - [ 0.0001449100000000, 0.0000000800000000, 0.0000688100000000 ] - [ 0.0001563500000000, -0.0000785900000000, 0.0001204400000000 ] - [ 0.0000231600000000, -0.0000005400000000, 0.0002143200000000 ] - [ 0.0000123300000000, 0.0000001400000000, 0.0001494700000000 ] - [ 0.0000864700000000, 0.0000305600000000, 0.0001857500000000 ] - [ 0.0000831800000000, -0.0000296500000000, 0.0001847400000000 ]- atom: 76 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0000080500000000, -0.0000065600000000, 0.0001502000000000 ] - [ 0.0003484400000000, -0.0000640700000000, -0.0001602200000000 ] - [ 0.0037230100000000, 0.0001889600000000, 0.0009403500000000 ] - [ 0.0006606000000000, 0.0000707600000000, 0.0012882000000000 ] - [ 0.0004628800000000, 0.0007037600000000, -0.0012299700000000 ] - [ -0.0122364400000000, -0.0027833100000000, 0.0024969500000000 ] - [ -0.0000408900000000, 0.0000005400000000, 0.0001122200000000 ] - [ 0.0002647500000000, 0.0000491400000000, -0.0001081800000000 ] - [ -0.0000004100000000, -0.0000008500000000, 0.0000555300000000 ] - [ 0.0001349700000000, 0.0000003100000000, 0.0000907300000000 ] - [ 0.0000482400000000, -0.0000026500000000, -0.0000435200000000 ] - [ -0.0006648400000000, 0.0000522600000000, 0.0004066900000000 ] - [ -0.0119234300000000, 0.0012500200000000, 0.0012293400000000 ] - [ 0.0003848900000000, -0.0009286900000000, -0.0014868700000000 ] - [ 0.0008219800000000, -0.0000780400000000, 0.0009511100000000 ] - [ 0.0032105800000000, -0.0000962700000000, 0.0011726100000000 ] - [ 0.0001168800000000, 0.0000033700000000, 0.0001407900000000 ] - [ -0.0003502300000000, -0.0000528400000000, 0.0003664300000000 ] - [ -0.0000403100000000, -0.0000006700000000, 0.0000955300000000 ] - [ 0.0001161800000000, -0.0000003400000000, 0.0001265600000000 ] - [ -0.0001696000000000, 0.0000018600000000, 0.0002734600000000 ] - [ 0.0002124100000000, -0.0000049900000000, 0.0002581900000000 ] - [ 0.0004559800000000, -0.0001881300000000, 0.0005023600000000 ] - [ 0.0027997300000000, -0.0000631700000000, 0.0008127100000000 ] - [ 0.0005568100000000, 0.0001843800000000, 0.0005752800000000 ] - [ 0.0068971400000000, -0.0004729700000000, -0.0031009700000000 ] - [ -0.0002202600000000, -0.0001451200000000, -0.0004526400000000 ] - [ 0.0018372400000000, -0.0020225700000000, -0.0056135100000000 ] - [ -0.0403243500000000, 0.0038755900000000, -0.0214830200000000 ] - [ 0.0002871100000000, -0.0000225000000000, 0.0001774000000000 ] - [ -0.0012047700000000, -0.0005779400000000, 0.0027521500000000 ] - [ -0.0038719100000000, -0.0004636400000000, 0.0006040100000000 ] - [ 0.0017988100000000, 0.0000436200000000, -0.0001380700000000 ] - [ 0.0072034000000000, -0.0006039700000000, -0.0017299300000000 ] - [ 0.0001943800000000, -0.0000159100000000, 0.0000543900000000 ] - [ -0.0000213700000000, -0.0000005100000000, 0.0001571500000000 ] - [ 0.0002013100000000, 0.0000156800000000, 0.0000642200000000 ] - [ -0.0000013200000000, -0.0000000700000000, 0.0001327600000000 ] - [ 0.0000602400000000, -0.0000053600000000, 0.0001362300000000 ] - [ 0.0000870800000000, 0.0000011500000000, 0.0001715800000000 ] - [ 0.0002645700000000, 0.0000117400000000, 0.0000597100000000 ] - [ -0.0000225700000000, -0.0000023000000000, 0.0001250700000000 ] - [ -0.0002314700000000, 0.0000005700000000, -0.0002239500000000 ] - [ -0.0052836400000000, 0.0024007400000000, -0.0023431400000000 ] - [ -0.0003436100000000, -0.0000037700000000, -0.0004065500000000 ] - [ -0.0036764200000000, 0.0007395800000000, 0.0018311600000000 ] - [ 0.0004347600000000, 0.0001501400000000, 0.0006631100000000 ] - [ 0.0027594500000000, -0.0012212800000000, 0.0044669700000000 ] - [ 0.0035525300000000, 0.0005422800000000, -0.0038202800000000 ] - [ -0.0001519800000000, -0.0000140100000000, -0.0000522600000000 ] - [ 0.0009796500000000, 0.0002141300000000, -0.0010124600000000 ] - [ 0.0016033200000000, -0.0000533200000000, -0.0002193300000000 ] - [ -0.0031091900000000, 0.0005254600000000, 0.0010331000000000 ] - [ -0.0230410800000000, -0.0280834400000000, -0.0100407300000000 ] - [ 0.0000496300000000, -0.0000519100000000, 0.0002665700000000 ] - [ -0.0000609500000000, 0.0000000400000000, 0.0002013900000000 ] - [ 0.0000492400000000, 0.0000514700000000, 0.0002562200000000 ] - [ 0.0000602900000000, 0.0000052900000000, 0.0001372900000000 ] - [ -0.0000022800000000, 0.0000000900000000, 0.0001314400000000 ] - [ -0.0000084300000000, -0.0000001800000000, 0.0001614600000000 ] - [ -0.0002488000000000, 0.0001652000000000, -0.0001069400000000 ] - [ -0.0006475100000000, 0.0000305000000000, -0.0003097700000000 ] - [ 0.0001648700000000, -0.0000902500000000, -0.0000848500000000 ] - [ -0.0000507700000000, 0.0000222400000000, -0.0003598600000000 ] - [ 0.0011044700000000, 0.0002243500000000, 0.0000053500000000 ] - [ -0.0019183700000000, 0.0001367900000000, -0.0015939100000000 ] - [ 0.0000073900000000, -0.0000404100000000, -0.0005167000000000 ] - [ -0.0003641000000000, -0.0001987100000000, -0.0012109800000000 ] - [ -0.0071195300000000, 0.0067567300000000, 0.0014929800000000 ] - [ -0.0019215000000000, -0.0000467600000000, -0.0013045200000000 ] - [ -0.0023724700000000, 0.0001864300000000, 0.0011976400000000 ] - [ -0.0001353600000000, 0.0001378800000000, -0.0008560300000000 ] - [ -0.0132615700000000, -0.0095801300000000, 0.0015324500000000 ] - [ -0.0004071400000000, -0.0001806500000000, 0.0065574600000000 ] - [ 0.0027972300000000, -0.0043186300000000, -0.0064954200000000 ] - [ 0.1094769300000000, 0.0330121200000000, 0.0303880100000000 ] - [ -0.0004537800000000, 0.0000101900000000, -0.0002669100000000 ] - [ -0.0014917600000000, -0.0000953200000000, -0.0012051200000000 ] - [ -0.0019512700000000, 0.0000452300000000, 0.0009314900000000 ] - [ -0.0037080200000000, 0.0005099800000000, -0.0002721100000000 ] - [ 0.0009123500000000, 0.0002580800000000, 0.0000038800000000 ] - [ -0.0001685700000000, 0.0000443300000000, -0.0000960300000000 ] - [ -0.0015175000000000, -0.0000360000000000, 0.0011224900000000 ] - [ -0.0002943200000000, 0.0000480000000000, 0.0006798700000000 ] - [ 0.0001107100000000, -0.0000016500000000, -0.0001541100000000 ] - [ 0.0000936000000000, 0.0000003400000000, -0.0001391200000000 ] - [ 0.0000501800000000, -0.0000060200000000, 0.0000611300000000 ] - [ -0.0000795700000000, -0.0000501500000000, 0.0004174100000000 ] - [ 0.0000205000000000, 0.0000013400000000, -0.0000716100000000 ] - [ -0.0000023600000000, 0.0000307200000000, -0.0000970400000000 ] - [ 0.0000702300000000, 0.0000056900000000, 0.0000364600000000 ] - [ 0.0000649300000000, 0.0000403700000000, -0.0001644800000000 ] - [ -0.0000432900000000, -0.0000002200000000, 0.0000002100000000 ] - [ -0.0000023500000000, -0.0000307400000000, -0.0000978800000000 ] - [ 0.0001815100000000, 0.0000002300000000, -0.0001551500000000 ] - [ 0.0001266300000000, -0.0000604300000000, -0.0000971100000000 ] - [ 0.0000405800000000, 0.0000011900000000, -0.0000188800000000 ] - [ 0.0000225400000000, -0.0000001000000000, -0.0001650600000000 ] - [ 0.0000581800000000, 0.0000282000000000, -0.0000409800000000 ] - [ 0.0000573600000000, -0.0000279800000000, -0.0000435300000000 ] - [ 0.0001940700000000, 0.0000847800000000, -0.0000690900000000 ] - [ 0.0006441300000000, -0.0001837400000000, 0.0006628800000000 ] - [ -0.0002240700000000, -0.0001610200000000, -0.0001313200000000 ] - [ -0.0000172700000000, -0.0000138100000000, 0.0000840300000000 ] - [ -0.0008679200000000, -0.0000421900000000, -0.0002065400000000 ] - [ -0.0025363600000000, -0.0002752400000000, 0.0073549000000000 ] - [ 0.0001397900000000, 0.0000206600000000, -0.0000494000000000 ] - [ -0.0003971300000000, 0.0000497800000000, 0.0008756200000000 ] - [ -0.0088071400000000, 0.0051884600000000, 0.0009605500000000 ] - [ 0.0014565300000000, 0.0003890600000000, 0.0019280500000000 ] - [ 0.0032724200000000, 0.0033844900000000, -0.0041199600000000 ] - [ -0.0001770100000000, -0.0000396500000000, 0.0004604000000000 ] - [ -0.0092121700000000, -0.0042212400000000, 0.0017136100000000 ] - [ -0.0014226700000000, 0.0001834300000000, -0.0011919200000000 ] - [ -0.0018818800000000, -0.0001875300000000, 0.0011458000000000 ] - [ -0.0053168100000000, -0.0008223900000000, -0.0005742000000000 ] - [ 0.0009275800000000, -0.0003198700000000, 0.0003427300000000 ] - [ 0.0017697800000000, 0.0000739000000000, 0.0017685600000000 ] - [ 0.0019756500000000, 0.0017532200000000, -0.0037332900000000 ] - [ 0.0066626100000000, -0.0027432200000000, 0.0012883200000000 ] - [ -0.0007207500000000, -0.0000201600000000, -0.0000582900000000 ] - [ 0.0001218000000000, -0.0000057700000000, -0.0001334100000000 ] - [ 0.0013651600000000, -0.0019334400000000, -0.0050695500000000 ] - [ -0.0002790200000000, -0.0002498400000000, -0.0009587100000000 ] - [ 0.0001694000000000, -0.0000020400000000, -0.0001981200000000 ] - [ -0.0001583800000000, -0.0000445900000000, -0.0001210300000000 ] - [ -0.0000006700000000, 0.0000183800000000, -0.0002216900000000 ] - [ -0.0000506500000000, 0.0001373900000000, -0.0006040500000000 ] - [ 0.0001012200000000, 0.0000011900000000, -0.0001294700000000 ] - [ 0.0000164000000000, 0.0000320200000000, -0.0001185200000000 ] - [ -0.0000112700000000, -0.0000201400000000, -0.0003890200000000 ] - [ 0.0001275900000000, 0.0000607700000000, -0.0000954000000000 ] - [ 0.0000250400000000, -0.0000012300000000, -0.0000339000000000 ] - [ 0.0000160700000000, -0.0000321900000000, -0.0001198500000000 ] - [ 0.0001776500000000, 0.0000001300000000, -0.0001491700000000 ] - [ 0.0000685200000000, -0.0000414400000000, -0.0001637600000000 ] - [ -0.0000436600000000, 0.0000004800000000, 0.0000105200000000 ] - [ 0.0000235800000000, -0.0000001700000000, -0.0001701100000000 ] - [ 0.0000108600000000, 0.0000225300000000, -0.0001252200000000 ] - [ 0.0000138700000000, -0.0000233600000000, -0.0001267600000000 ]- atom: 76 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000351100000000, -0.0000026200000000, -0.0002053300000000 ] - [ -0.0000957200000000, 0.0000009900000000, -0.0000440300000000 ] - [ 0.0004764900000000, 0.0000846400000000, 0.0007525500000000 ] - [ 0.0006841000000000, 0.0000587000000000, 0.0006544900000000 ] - [ 0.0001045200000000, 0.0000530500000000, 0.0001255400000000 ] - [ 0.0033298000000000, 0.0089445900000000, -0.0036945400000000 ] - [ 0.0000350900000000, 0.0000019600000000, -0.0000818900000000 ] - [ -0.0000230000000000, 0.0000021800000000, -0.0000680600000000 ] - [ -0.0000245300000000, -0.0000008500000000, -0.0001244700000000 ] - [ 0.0001190000000000, 0.0000000500000000, -0.0001225000000000 ] - [ 0.0000329700000000, -0.0000039200000000, -0.0001730400000000 ] - [ 0.0001499700000000, -0.0000211700000000, -0.0001011400000000 ] - [ -0.0028934800000000, 0.0094436600000000, 0.0049265700000000 ] - [ 0.0000237800000000, 0.0000483900000000, 0.0001763900000000 ] - [ -0.0014019200000000, 0.0001471800000000, -0.0006911100000000 ] - [ -0.0011322100000000, 0.0001247400000000, -0.0007039000000000 ] - [ -0.0000211200000000, 0.0000008500000000, -0.0000656400000000 ] - [ -0.0000199500000000, 0.0000268900000000, -0.0002856800000000 ] - [ -0.0000223000000000, -0.0000009800000000, -0.0001327900000000 ] - [ 0.0001185000000000, 0.0000002000000000, -0.0001327400000000 ] - [ 0.0000853600000000, 0.0000012100000000, -0.0002083100000000 ] - [ 0.0000453100000000, -0.0000004300000000, -0.0001560600000000 ] - [ -0.0001854400000000, -0.0001902400000000, -0.0001724600000000 ] - [ -0.0006225000000000, 0.0000153700000000, -0.0000933000000000 ] - [ -0.0002284300000000, 0.0001988300000000, -0.0002025300000000 ] - [ -0.0004800600000000, 0.0025744800000000, 0.0006386500000000 ] - [ 0.0002578400000000, -0.0000070500000000, -0.0000473000000000 ] - [ 0.0012719800000000, -0.0005421300000000, -0.0020377000000000 ] - [ -0.0054726700000000, 0.0095670400000000, -0.0035960100000000 ] - [ -0.0000044000000000, 0.0000017100000000, -0.0001548500000000 ] - [ -0.0000059700000000, 0.0003371700000000, -0.0023795800000000 ] - [ 0.0005032600000000, 0.0024643600000000, -0.0003477900000000 ] - [ -0.0000956200000000, 0.0002275600000000, 0.0001362100000000 ] - [ -0.0023564900000000, 0.0002675000000000, 0.0010918500000000 ] - [ 0.0001372800000000, 0.0000114200000000, -0.0001301400000000 ] - [ -0.0000345200000000, -0.0000002800000000, -0.0001465400000000 ] - [ 0.0001381800000000, -0.0000116200000000, -0.0001306500000000 ] - [ 0.0000246100000000, 0.0000157300000000, -0.0001881500000000 ] - [ 0.0000134900000000, -0.0000138300000000, -0.0001830400000000 ] - [ 0.0000331300000000, -0.0000009200000000, -0.0001626600000000 ] - [ 0.0000323900000000, -0.0000002500000000, -0.0001337800000000 ] - [ 0.0001110100000000, -0.0000008600000000, -0.0001484800000000 ] - [ 0.0000996300000000, -0.0003899900000000, -0.0001185900000000 ] - [ -0.0017927300000000, -0.0005277800000000, 0.0021837400000000 ] - [ 0.0000990300000000, 0.0003926800000000, -0.0001127200000000 ] - [ 0.0004001700000000, -0.0065172200000000, 0.0005563400000000 ] - [ -0.0001442200000000, -0.0000720700000000, 0.0000581200000000 ] - [ 0.0017334600000000, -0.0005502800000000, 0.0015706400000000 ] - [ -0.0004623400000000, -0.0026811000000000, 0.0008534500000000 ] - [ 0.0001566200000000, -0.0000085500000000, -0.0000912800000000 ] - [ -0.0002295300000000, -0.0000045200000000, 0.0002888500000000 ] - [ -0.0001449000000000, -0.0002262200000000, 0.0001057100000000 ] - [ 0.0007597800000000, -0.0025895100000000, -0.0003707200000000 ] - [ 0.0306357600000000, 0.0632578500000000, 0.0222282700000000 ] - [ 0.0001443100000000, 0.0000174700000000, -0.0001956600000000 ] - [ -0.0000291800000000, -0.0000002800000000, -0.0001632600000000 ] - [ 0.0001488400000000, -0.0000182700000000, -0.0001891100000000 ] - [ 0.0000135000000000, 0.0000137000000000, -0.0001823500000000 ] - [ 0.0000246300000000, -0.0000166500000000, -0.0001887600000000 ] - [ 0.0000631800000000, -0.0000008300000000, -0.0001658100000000 ] - [ 0.0000124000000000, 0.0001265000000000, 0.0000710500000000 ] - [ -0.0000239400000000, -0.0000059300000000, 0.0001708100000000 ] - [ -0.0000568300000000, -0.0001643900000000, 0.0000957100000000 ] - [ -0.0000219100000000, -0.0000030700000000, 0.0001121400000000 ] - [ -0.0006635000000000, -0.0000491300000000, 0.0003955600000000 ] - [ 0.0000814700000000, 0.0008341700000000, -0.0000228800000000 ] - [ 0.0001351400000000, 0.0000165200000000, 0.0000942300000000 ] - [ 0.0001934000000000, 0.0007430000000000, 0.0003559100000000 ] - [ -0.0044969100000000, 0.0021272100000000, -0.0002417700000000 ] - [ -0.0000058700000000, -0.0006071300000000, -0.0000711500000000 ] - [ -0.0000773600000000, -0.0000442000000000, 0.0002072900000000 ] - [ 0.0000832300000000, -0.0005070500000000, 0.0002287200000000 ] - [ 0.0097309100000000, 0.0035944600000000, -0.0005538400000000 ] - [ -0.0001488600000000, -0.0020368600000000, -0.0003569000000000 ] - [ 0.0028578200000000, 0.0036076300000000, 0.0089991800000000 ] - [ -0.0314586300000000, -0.1314317300000000, -0.0232282900000000 ] - [ 0.0001411000000000, -0.0000137500000000, 0.0000544300000000 ] - [ 0.0001439000000000, -0.0005261500000000, -0.0001093200000000 ] - [ -0.0001934100000000, -0.0000166400000000, 0.0002010800000000 ] - [ 0.0006284600000000, -0.0011082800000000, -0.0000156700000000 ] - [ -0.0006335100000000, -0.0000342800000000, 0.0004766800000000 ] - [ -0.0000028900000000, 0.0000073400000000, 0.0000176500000000 ] - [ 0.0002334000000000, -0.0000315100000000, -0.0008099900000000 ] - [ -0.0000156800000000, -0.0000629200000000, 0.0000563400000000 ] - [ 0.0001325900000000, -0.0000003400000000, 0.0000754100000000 ] - [ -0.0000469600000000, -0.0000335600000000, 0.0000608100000000 ] - [ 0.0000074000000000, 0.0000004000000000, 0.0000710500000000 ] - [ -0.0000050500000000, 0.0000622900000000, 0.0000479100000000 ] - [ 0.0000220600000000, -0.0000000700000000, 0.0000931200000000 ] - [ 0.0000295200000000, 0.0000134300000000, 0.0000816000000000 ] - [ -0.0000276000000000, 0.0000003000000000, 0.0001414200000000 ] - [ 0.0001395000000000, 0.0000806500000000, 0.0000778300000000 ] - [ -0.0000118300000000, -0.0000001600000000, 0.0002291400000000 ] - [ 0.0000296200000000, -0.0000138200000000, 0.0000809100000000 ] - [ 0.0001457000000000, -0.0000001700000000, 0.0000494400000000 ] - [ 0.0001157100000000, -0.0000758600000000, 0.0000604700000000 ] - [ -0.0000216500000000, -0.0000003700000000, 0.0002186000000000 ] - [ 0.0000119900000000, -0.0000000200000000, 0.0001154100000000 ] - [ 0.0000498200000000, 0.0000304000000000, 0.0001195900000000 ] - [ 0.0000496900000000, -0.0000308600000000, 0.0001178800000000 ] - [ -0.0000616500000000, 0.0001628600000000, 0.0000996900000000 ] - [ -0.0000109500000000, -0.0000030700000000, -0.0001964400000000 ] - [ 0.0000114500000000, -0.0001268300000000, 0.0000704200000000 ] - [ -0.0000255700000000, 0.0000004200000000, 0.0000172200000000 ] - [ 0.0001143300000000, 0.0000109500000000, -0.0000969300000000 ] - [ -0.0002841600000000, -0.0019848400000000, -0.0000825700000000 ] - [ 0.0000163800000000, 0.0000005700000000, 0.0000012000000000 ] - [ -0.0000945900000000, -0.0000728100000000, -0.0000718800000000 ] - [ -0.0050908400000000, 0.0017472100000000, 0.0002583500000000 ] - [ -0.0004420600000000, 0.0011323700000000, 0.0000970100000000 ] - [ -0.0016144000000000, 0.0021135300000000, -0.0041849600000000 ] - [ -0.0000982300000000, 0.0000719700000000, -0.0000605600000000 ] - [ 0.0064361700000000, 0.0020658000000000, -0.0013502700000000 ] - [ 0.0002328900000000, 0.0005803000000000, -0.0000530200000000 ] - [ 0.0003352200000000, -0.0000224500000000, -0.0007389300000000 ] - [ 0.0009417300000000, 0.0015668200000000, 0.0000505600000000 ] - [ 0.0002309500000000, -0.0000385700000000, -0.0002061700000000 ] - [ -0.0000305500000000, 0.0011775200000000, -0.0005673400000000 ] - [ -0.0013247900000000, 0.0017478600000000, -0.0049020600000000 ] - [ -0.0025775300000000, 0.0291842700000000, -0.0019560100000000 ] - [ 0.0000937300000000, 0.0000168100000000, -0.0000473900000000 ] - [ -0.0000527000000000, 0.0000303500000000, 0.0000732700000000 ] - [ 0.0009097600000000, 0.0020688300000000, 0.0060550800000000 ] - [ 0.0002398500000000, 0.0007396400000000, 0.0005268300000000 ] - [ 0.0001221600000000, -0.0000005100000000, 0.0000999200000000 ] - [ -0.0000026600000000, -0.0000082000000000, 0.0000154300000000 ] - [ 0.0000271900000000, -0.0000077600000000, 0.0001391400000000 ] - [ 0.0001794700000000, -0.0005080800000000, 0.0003724000000000 ] - [ 0.0000109800000000, 0.0000001200000000, 0.0001133400000000 ] - [ 0.0000302400000000, 0.0000117200000000, 0.0000904800000000 ] - [ 0.0000607500000000, 0.0000130800000000, 0.0002382000000000 ] - [ 0.0001152900000000, 0.0000756600000000, 0.0000625800000000 ] - [ -0.0000217400000000, -0.0000001000000000, 0.0002482500000000 ] - [ 0.0000302000000000, -0.0000122500000000, 0.0000896500000000 ] - [ 0.0001481800000000, -0.0000003100000000, 0.0000491500000000 ] - [ 0.0001383800000000, -0.0000802600000000, 0.0000745900000000 ] - [ -0.0000125400000000, -0.0000002300000000, 0.0002053600000000 ] - [ 0.0000103100000000, -0.0000001600000000, 0.0001139100000000 ] - [ 0.0000643500000000, 0.0000325000000000, 0.0001320700000000 ] - [ 0.0000637200000000, -0.0000325400000000, 0.0001299300000000 ]- atom: 76 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000299400000000, -0.0000051400000000, 0.0000523500000000 ] - [ -0.0000579900000000, 0.0000001100000000, 0.0000119500000000 ] - [ -0.0005875300000000, -0.0000829600000000, -0.0007724200000000 ] - [ -0.0008787600000000, -0.0000574000000000, -0.0005636900000000 ] - [ -0.0001176400000000, -0.0000446000000000, -0.0001588100000000 ] - [ -0.0028733600000000, -0.0083646000000000, 0.0030950600000000 ] - [ 0.0000094600000000, -0.0000023800000000, 0.0001212100000000 ] - [ 0.0000270800000000, -0.0000016300000000, 0.0000082900000000 ] - [ -0.0000233400000000, -0.0000009300000000, 0.0000501300000000 ] - [ 0.0001252900000000, -0.0000003800000000, 0.0000810000000000 ] - [ 0.0000322000000000, -0.0000038200000000, 0.0000199600000000 ] - [ -0.0003035000000000, 0.0000221000000000, 0.0000692700000000 ] - [ 0.0023336500000000, -0.0088474400000000, -0.0043682800000000 ] - [ -0.0002228200000000, -0.0000394400000000, -0.0000891600000000 ] - [ 0.0013955100000000, -0.0001463600000000, 0.0006654400000000 ] - [ 0.0012108600000000, -0.0001234000000000, 0.0006999400000000 ] - [ 0.0000657200000000, -0.0000010800000000, 0.0001052100000000 ] - [ 0.0000224000000000, -0.0000263700000000, 0.0002278200000000 ] - [ -0.0000258500000000, -0.0000006500000000, 0.0000587000000000 ] - [ 0.0001262400000000, -0.0000003800000000, 0.0000910200000000 ] - [ 0.0000384200000000, -0.0000016300000000, 0.0001762100000000 ] - [ 0.0001150300000000, 0.0000003900000000, 0.0001535500000000 ] - [ 0.0002182500000000, -0.0001118300000000, 0.0001463800000000 ] - [ 0.0003150500000000, -0.0000172200000000, 0.0002183700000000 ] - [ 0.0002622500000000, 0.0001026300000000, 0.0001810100000000 ] - [ 0.0003980600000000, -0.0024050900000000, -0.0006766800000000 ] - [ -0.0002624800000000, 0.0000046500000000, 0.0000865000000000 ] - [ -0.0013717000000000, 0.0005217700000000, 0.0020915000000000 ] - [ 0.0052003600000000, -0.0096712100000000, 0.0034297100000000 ] - [ 0.0001116700000000, -0.0000022500000000, 0.0000332800000000 ] - [ -0.0003341100000000, -0.0003389000000000, 0.0024016900000000 ] - [ -0.0004776900000000, -0.0025576300000000, 0.0003166900000000 ] - [ 0.0001461200000000, -0.0001447600000000, -0.0001596700000000 ] - [ 0.0022455700000000, -0.0002703400000000, -0.0010352600000000 ] - [ 0.0001342600000000, -0.0000408600000000, 0.0000960400000000 ] - [ -0.0000427300000000, -0.0000002700000000, 0.0001356000000000 ] - [ 0.0001333100000000, 0.0000403200000000, 0.0000949800000000 ] - [ 0.0000240000000000, 0.0000073900000000, 0.0001065100000000 ] - [ 0.0000351600000000, -0.0000098800000000, 0.0000999000000000 ] - [ 0.0000578600000000, 0.0000011200000000, 0.0001376000000000 ] - [ 0.0000912700000000, -0.0000004000000000, 0.0001014500000000 ] - [ 0.0000493700000000, 0.0000008400000000, 0.0001453500000000 ] - [ -0.0000673000000000, 0.0000882200000000, 0.0000924100000000 ] - [ 0.0014780000000000, 0.0005080100000000, -0.0020734500000000 ] - [ -0.0000655000000000, -0.0000915100000000, 0.0000923200000000 ] - [ -0.0005306200000000, 0.0067004300000000, -0.0006218800000000 ] - [ 0.0001438500000000, 0.0000711300000000, -0.0000152100000000 ] - [ -0.0018161200000000, 0.0005540900000000, -0.0015154400000000 ] - [ 0.0004028600000000, 0.0025107000000000, -0.0008844800000000 ] - [ -0.0000510200000000, 0.0000078100000000, -0.0000319100000000 ] - [ -0.0001137600000000, 0.0000023400000000, -0.0002815100000000 ] - [ 0.0001931900000000, 0.0001427200000000, -0.0001296000000000 ] - [ -0.0007207200000000, 0.0026823200000000, 0.0003567900000000 ] - [ -0.0327974400000000, -0.0664258100000000, -0.0236235200000000 ] - [ 0.0001273000000000, -0.0000470400000000, 0.0001619400000000 ] - [ -0.0000482600000000, -0.0000000200000000, 0.0001529900000000 ] - [ 0.0001227900000000, 0.0000470600000000, 0.0001537000000000 ] - [ 0.0000349200000000, 0.0000092200000000, 0.0001004100000000 ] - [ 0.0000241200000000, -0.0000071800000000, 0.0001057900000000 ] - [ 0.0000269000000000, 0.0000005800000000, 0.0001405400000000 ] - [ -0.0000613900000000, 0.0001406000000000, -0.0000790100000000 ] - [ -0.0001772900000000, 0.0000053800000000, 0.0001123400000000 ] - [ 0.0000075400000000, -0.0001041800000000, -0.0001050700000000 ] - [ -0.0000403700000000, 0.0000029600000000, -0.0001302600000000 ] - [ 0.0005128900000000, 0.0000474500000000, -0.0004722600000000 ] - [ -0.0002126300000000, -0.0008521400000000, 0.0001103900000000 ] - [ 0.0000147600000000, -0.0000171000000000, -0.0003326300000000 ] - [ -0.0003046200000000, -0.0007436600000000, -0.0003808100000000 ] - [ 0.0042205100000000, -0.0020901800000000, 0.0004262100000000 ] - [ -0.0001237900000000, 0.0006254400000000, 0.0001572900000000 ] - [ -0.0000115400000000, 0.0000414300000000, -0.0001836600000000 ] - [ -0.0001932200000000, 0.0005070500000000, -0.0002530100000000 ] - [ -0.0097495400000000, -0.0036457300000000, 0.0004972400000000 ] - [ 0.0001076800000000, 0.0019242000000000, 0.0002715600000000 ] - [ -0.0028838200000000, -0.0036588500000000, -0.0090547900000000 ] - [ 0.0337970300000000, 0.1336642500000000, 0.0248845300000000 ] - [ -0.0000143500000000, 0.0000132200000000, -0.0000251800000000 ] - [ -0.0001685800000000, 0.0006458800000000, -0.0000308800000000 ] - [ 0.0001579800000000, 0.0000173300000000, -0.0001469800000000 ] - [ -0.0006161700000000, 0.0008863900000000, 0.0000502500000000 ] - [ 0.0004674300000000, 0.0000361300000000, -0.0004426000000000 ] - [ -0.0000534900000000, 0.0000234500000000, -0.0000877200000000 ] - [ -0.0003954200000000, 0.0000301400000000, 0.0006488100000000 ] - [ 0.0000876400000000, 0.0000695600000000, 0.0001527200000000 ] - [ 0.0001290600000000, -0.0000001300000000, -0.0001357000000000 ] - [ -0.0000081200000000, 0.0000022200000000, -0.0001335700000000 ] - [ 0.0000187600000000, -0.0000006900000000, 0.0000089300000000 ] - [ 0.0000797500000000, -0.0000696100000000, 0.0001557700000000 ] - [ 0.0000566100000000, -0.0000002200000000, -0.0000733500000000 ] - [ 0.0000090600000000, 0.0000241600000000, -0.0000827900000000 ] - [ 0.0000781900000000, -0.0000005600000000, -0.0001102400000000 ] - [ 0.0000855000000000, 0.0000393800000000, -0.0001195300000000 ] - [ -0.0000196100000000, -0.0000000400000000, 0.0000205100000000 ] - [ 0.0000090500000000, -0.0000244500000000, -0.0000830400000000 ] - [ 0.0001775700000000, 0.0000000400000000, -0.0001309800000000 ] - [ 0.0001087000000000, -0.0000460600000000, -0.0001038100000000 ] - [ 0.0000006000000000, -0.0000001700000000, 0.0000049600000000 ] - [ 0.0000248600000000, -0.0000003400000000, -0.0001378800000000 ] - [ 0.0000473800000000, 0.0000226100000000, -0.0000602700000000 ] - [ 0.0000469300000000, -0.0000229400000000, -0.0000610500000000 ] - [ 0.0000127800000000, 0.0001049400000000, -0.0001081300000000 ] - [ -0.0001894300000000, 0.0000036800000000, 0.0004798600000000 ] - [ -0.0000607900000000, -0.0001411700000000, -0.0000794600000000 ] - [ -0.0000361400000000, -0.0000005000000000, -0.0000354000000000 ] - [ -0.0002651700000000, -0.0000116200000000, 0.0000207900000000 ] - [ 0.0001979300000000, 0.0019736100000000, 0.0001373000000000 ] - [ 0.0001338800000000, -0.0000010800000000, -0.0002395800000000 ] - [ -0.0000135000000000, 0.0000711300000000, 0.0000455000000000 ] - [ 0.0047771400000000, -0.0017632900000000, -0.0000910200000000 ] - [ 0.0003158400000000, -0.0011161600000000, 0.0000024200000000 ] - [ 0.0015542200000000, -0.0020768100000000, 0.0042236800000000 ] - [ -0.0000121600000000, -0.0000712900000000, 0.0000362800000000 ] - [ -0.0065896300000000, -0.0020739700000000, 0.0012983000000000 ] - [ -0.0002573100000000, -0.0007011200000000, -0.0000848400000000 ] - [ -0.0003816100000000, 0.0000243600000000, 0.0006484000000000 ] - [ -0.0009308500000000, -0.0013448500000000, -0.0000143300000000 ] - [ -0.0000999900000000, 0.0000358800000000, 0.0002386300000000 ] - [ 0.0000205600000000, -0.0010600400000000, 0.0004260200000000 ] - [ 0.0012935900000000, -0.0017637100000000, 0.0049420900000000 ] - [ 0.0026306400000000, -0.0293609100000000, 0.0020154700000000 ] - [ -0.0002677100000000, -0.0000172300000000, 0.0000835500000000 ] - [ -0.0000023100000000, 0.0000001200000000, -0.0001435400000000 ] - [ -0.0010915300000000, -0.0020772500000000, -0.0063044300000000 ] - [ -0.0001666400000000, -0.0007366700000000, -0.0003246900000000 ] - [ 0.0001396300000000, 0.0000000900000000, -0.0001606500000000 ] - [ -0.0000536800000000, -0.0000233300000000, -0.0000875500000000 ] - [ -0.0000014300000000, 0.0000073000000000, -0.0000603700000000 ] - [ -0.0001064100000000, 0.0005046900000000, -0.0001734600000000 ] - [ 0.0000689700000000, -0.0000004400000000, -0.0000941400000000 ] - [ 0.0000084000000000, 0.0000257900000000, -0.0000917000000000 ] - [ -0.0000097300000000, -0.0000133200000000, -0.0002081400000000 ] - [ 0.0001093900000000, 0.0000457500000000, -0.0001034800000000 ] - [ -0.0000094600000000, -0.0000001300000000, 0.0000013900000000 ] - [ 0.0000082600000000, -0.0000260600000000, -0.0000919200000000 ] - [ 0.0001750800000000, 0.0000000800000000, -0.0001306400000000 ] - [ 0.0000866200000000, -0.0000406100000000, -0.0001186000000000 ] - [ -0.0000089200000000, -0.0000003100000000, 0.0000185500000000 ] - [ 0.0000260900000000, -0.0000002600000000, -0.0001364900000000 ] - [ 0.0000327700000000, 0.0000207000000000, -0.0000726600000000 ] - [ 0.0000330700000000, -0.0000214200000000, -0.0000730100000000 ]- atom: 76 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0000393900000000, 0.0000025100000000, -0.0010336100000000 ] - [ -0.0000071900000000, -0.0000676700000000, -0.0005735000000000 ] - [ -0.0012480100000000, 0.0000116300000000, 0.0017419300000000 ] - [ -0.0023678400000000, -0.0003012900000000, -0.0009938500000000 ] - [ 0.0014755900000000, 0.0011314100000000, -0.0005857900000000 ] - [ 0.0007420200000000, -0.0012686700000000, 0.0137348400000000 ] - [ 0.0001221000000000, 0.0000096600000000, -0.0008859000000000 ] - [ 0.0000548300000000, 0.0000816200000000, -0.0006951700000000 ] - [ -0.0000296400000000, -0.0000016800000000, -0.0008794800000000 ] - [ 0.0001071700000000, 0.0000008900000000, -0.0009836400000000 ] - [ 0.0000885200000000, -0.0000014000000000, -0.0009412400000000 ] - [ 0.0002435700000000, -0.0001078800000000, -0.0012728400000000 ] - [ -0.0011826900000000, 0.0037609500000000, 0.0149125700000000 ] - [ 0.0009858500000000, -0.0009297800000000, -0.0004343400000000 ] - [ -0.0025311800000000, 0.0002067500000000, -0.0006855600000000 ] - [ -0.0008921900000000, 0.0000165700000000, 0.0019816100000000 ] - [ -0.0001239100000000, 0.0000078900000000, -0.0007602300000000 ] - [ 0.0000040000000000, 0.0001090800000000, -0.0014392500000000 ] - [ -0.0000509000000000, -0.0000022200000000, -0.0009002400000000 ] - [ 0.0000753000000000, 0.0000017400000000, -0.0010162000000000 ] - [ 0.0001152700000000, 0.0000177900000000, -0.0015249300000000 ] - [ -0.0001110300000000, -0.0000108100000000, -0.0014482100000000 ] - [ -0.0007903000000000, -0.0002500000000000, -0.0012186500000000 ] - [ -0.0017380100000000, 0.0000961100000000, 0.0002594700000000 ] - [ -0.0010048200000000, 0.0002590900000000, -0.0013428200000000 ] - [ 0.0012982400000000, 0.0004218200000000, 0.0051913000000000 ] - [ 0.0010336600000000, -0.0002568900000000, -0.0013106600000000 ] - [ 0.0040836500000000, -0.0029603900000000, 0.0050002700000000 ] - [ 0.0284948900000000, -0.0034716900000000, 0.0309686500000000 ] - [ -0.0001846800000000, -0.0000037000000000, -0.0009842600000000 ] - [ 0.0000148100000000, 0.0008037300000000, -0.0048128700000000 ] - [ 0.0005174800000000, 0.0003767200000000, -0.0057016900000000 ] - [ -0.0001882500000000, 0.0001695500000000, 0.0004815200000000 ] - [ -0.0019639800000000, 0.0003212500000000, 0.0035658300000000 ] - [ 0.0001894900000000, 0.0000360200000000, -0.0012489100000000 ] - [ 0.0000055500000000, 0.0000002700000000, -0.0013796400000000 ] - [ 0.0002025500000000, -0.0000362300000000, -0.0012337000000000 ] - [ 0.0000016200000000, 0.0000770500000000, -0.0013976700000000 ] - [ -0.0000240900000000, -0.0000750200000000, -0.0013554300000000 ] - [ 0.0000264700000000, -0.0000040000000000, -0.0013868000000000 ] - [ 0.0001185500000000, 0.0000146600000000, -0.0012474800000000 ] - [ 0.0001340300000000, -0.0000108900000000, -0.0015464600000000 ] - [ 0.0005296600000000, -0.0002758900000000, -0.0013090200000000 ] - [ 0.0037566900000000, 0.0025662200000000, -0.0027541600000000 ] - [ 0.0003952800000000, 0.0002779100000000, -0.0014831200000000 ] - [ -0.0015364400000000, -0.0005643000000000, 0.0070008200000000 ] - [ -0.0012495600000000, -0.0002520500000000, -0.0014943700000000 ] - [ -0.0052382800000000, 0.0009871600000000, 0.0024169500000000 ] - [ -0.0001623800000000, -0.0004679100000000, 0.0043406900000000 ] - [ 0.0003694100000000, -0.0000316200000000, -0.0018316600000000 ] - [ 0.0000192800000000, 0.0002096800000000, 0.0003561700000000 ] - [ -0.0004137500000000, -0.0001668100000000, 0.0004441900000000 ] - [ 0.0027843400000000, -0.0004567100000000, -0.0025176400000000 ] - [ 0.0125473400000000, 0.0233468200000000, 0.0198753400000000 ] - [ 0.0000332500000000, 0.0000876100000000, -0.0014752800000000 ] - [ 0.0000018400000000, 0.0000000400000000, -0.0014557200000000 ] - [ 0.0000541300000000, -0.0000885000000000, -0.0014474200000000 ] - [ -0.0000215500000000, 0.0000751200000000, -0.0013532100000000 ] - [ -0.0000002700000000, -0.0000769900000000, -0.0013998600000000 ] - [ 0.0001383500000000, -0.0000027300000000, -0.0014321500000000 ] - [ 0.0000891500000000, 0.0001222200000000, 0.0007436300000000 ] - [ 0.0002869200000000, -0.0000235900000000, 0.0005546600000000 ] - [ -0.0000004900000000, -0.0001130400000000, 0.0009798700000000 ] - [ 0.0000785200000000, -0.0000378700000000, 0.0010191700000000 ] - [ -0.0010976500000000, 0.0000671800000000, 0.0012581600000000 ] - [ 0.0018231500000000, 0.0000369500000000, -0.0006652700000000 ] - [ 0.0002621500000000, 0.0000699500000000, 0.0010169300000000 ] - [ 0.0010243400000000, 0.0004313500000000, 0.0020618700000000 ] - [ 0.0017179200000000, -0.0022203900000000, -0.0062237400000000 ] - [ 0.0015048900000000, -0.0000942200000000, -0.0004384100000000 ] - [ 0.0000222300000000, 0.0003495200000000, -0.0013760200000000 ] - [ 0.0006390200000000, -0.0002680400000000, 0.0013853600000000 ] - [ 0.0033047000000000, 0.0025108000000000, -0.0062292300000000 ] - [ -0.0064875000000000, 0.0002621100000000, 0.0053058700000000 ] - [ 0.0037718200000000, 0.0093451800000000, 0.0103513000000000 ] - [ -0.0471498600000000, -0.0284750500000000, -0.0939646200000000 ] - [ 0.0004150200000000, 0.0000141600000000, 0.0002949200000000 ] - [ 0.0013224000000000, 0.0000440700000000, -0.0007871600000000 ] - [ -0.0002789000000000, 0.0002079600000000, -0.0011845500000000 ] - [ 0.0008289000000000, -0.0001677400000000, -0.0016356400000000 ] - [ -0.0010199800000000, 0.0002012100000000, 0.0014986500000000 ] - [ 0.0000513500000000, -0.0000401800000000, 0.0005978300000000 ] - [ -0.0002272300000000, -0.0002340800000000, -0.0020440200000000 ] - [ -0.0007919300000000, -0.0000602000000000, 0.0006411200000000 ] - [ 0.0000730800000000, -0.0000016100000000, 0.0010616500000000 ] - [ 0.0000544000000000, 0.0000771500000000, 0.0009259500000000 ] - [ -0.0003359400000000, -0.0000109900000000, 0.0008451700000000 ] - [ -0.0004144600000000, 0.0000500400000000, 0.0002302100000000 ] - [ -0.0001110100000000, 0.0000015200000000, 0.0008009100000000 ] - [ 0.0001076400000000, -0.0000615900000000, 0.0007940800000000 ] - [ -0.0001809700000000, 0.0000105600000000, 0.0010762100000000 ] - [ 0.0002720900000000, 0.0001607300000000, 0.0008114500000000 ] - [ -0.0000574300000000, -0.0000008700000000, 0.0011810200000000 ] - [ 0.0001081000000000, 0.0000615000000000, 0.0007922500000000 ] - [ 0.0000106900000000, -0.0000007200000000, 0.0008041300000000 ] - [ 0.0001687100000000, -0.0001405800000000, 0.0007772500000000 ] - [ -0.0000527900000000, 0.0000009900000000, 0.0010362700000000 ] - [ -0.0000319400000000, 0.0000009700000000, 0.0011489700000000 ] - [ 0.0000936500000000, 0.0000298400000000, 0.0008858400000000 ] - [ 0.0000944800000000, -0.0000300000000000, 0.0008787800000000 ] - [ -0.0000193000000000, 0.0001155200000000, 0.0010192000000000 ] - [ -0.0006329200000000, -0.0000800700000000, 0.0015385600000000 ] - [ 0.0001083400000000, -0.0001174800000000, 0.0007147600000000 ] - [ -0.0002825600000000, -0.0000140700000000, 0.0008573900000000 ] - [ 0.0004977100000000, 0.0000326000000000, 0.0001780700000000 ] - [ -0.0069346200000000, 0.0001277000000000, 0.0033620200000000 ] - [ -0.0001126900000000, 0.0000232900000000, 0.0007341100000000 ] - [ -0.0005911200000000, -0.0000744600000000, 0.0004750200000000 ] - [ 0.0015719600000000, -0.0008065100000000, -0.0049365700000000 ] - [ -0.0021366400000000, -0.0000104000000000, -0.0016034600000000 ] - [ 0.0018429400000000, -0.0063704200000000, 0.0051433900000000 ] - [ -0.0003587300000000, 0.0000802600000000, 0.0000828300000000 ] - [ 0.0033368400000000, 0.0011880700000000, -0.0042574300000000 ] - [ 0.0013036700000000, -0.0001105500000000, -0.0009064200000000 ] - [ 0.0000109200000000, -0.0002729200000000, -0.0017936400000000 ] - [ 0.0013596300000000, 0.0002778200000000, -0.0015040500000000 ] - [ -0.0005608900000000, -0.0002304800000000, 0.0016459400000000 ] - [ -0.0020809500000000, -0.0004284300000000, -0.0015549500000000 ] - [ 0.0027591600000000, -0.0049324100000000, 0.0064807200000000 ] - [ -0.0022058000000000, 0.0022067800000000, -0.0071582400000000 ] - [ 0.0004247200000000, -0.0000080500000000, 0.0000545900000000 ] - [ 0.0000452900000000, -0.0000870500000000, 0.0009818100000000 ] - [ 0.0016879700000000, 0.0039077200000000, 0.0063502300000000 ] - [ 0.0012568400000000, 0.0004082900000000, 0.0021408800000000 ] - [ 0.0000881900000000, -0.0000024200000000, 0.0011880800000000 ] - [ 0.0000735000000000, 0.0000389000000000, 0.0005623900000000 ] - [ 0.0001009300000000, -0.0000331600000000, 0.0009462100000000 ] - [ 0.0008777500000000, -0.0002641800000000, 0.0014745100000000 ] - [ -0.0001179300000000, 0.0000023100000000, 0.0009032100000000 ] - [ 0.0001325900000000, -0.0000698600000000, 0.0008346800000000 ] - [ 0.0001494200000000, 0.0000346100000000, 0.0013464800000000 ] - [ 0.0001669200000000, 0.0001410400000000, 0.0007836100000000 ] - [ -0.0000506900000000, -0.0000008000000000, 0.0012726000000000 ] - [ 0.0001331700000000, 0.0000696100000000, 0.0008326800000000 ] - [ 0.0000203400000000, -0.0000008500000000, 0.0008037400000000 ] - [ 0.0002704000000000, -0.0001593500000000, 0.0008014400000000 ] - [ -0.0000465600000000, 0.0000013600000000, 0.0009586400000000 ] - [ -0.0000359400000000, 0.0000008400000000, 0.0011445500000000 ] - [ 0.0001594700000000, 0.0000379900000000, 0.0009019800000000 ] - [ 0.0001582200000000, -0.0000376300000000, 0.0008920300000000 ]- atom: 76 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0000306200000000, -0.0000101800000000, 0.0008755200000000 ] - [ -0.0001448100000000, 0.0000686800000000, 0.0005427900000000 ] - [ 0.0011411300000000, -0.0000090600000000, -0.0017471700000000 ] - [ 0.0021540700000000, 0.0002989400000000, 0.0010928700000000 ] - [ -0.0014910800000000, -0.0011350300000000, 0.0005533100000000 ] - [ -0.0003952600000000, 0.0016892900000000, -0.0140409600000000 ] - [ -0.0000827500000000, -0.0000096500000000, 0.0009293800000000 ] - [ -0.0000479000000000, -0.0000815700000000, 0.0006349600000000 ] - [ -0.0000229500000000, 0.0000005800000000, 0.0008019700000000 ] - [ 0.0001365500000000, -0.0000006400000000, 0.0009362300000000 ] - [ -0.0000181700000000, -0.0000062700000000, 0.0007838700000000 ] - [ -0.0003953300000000, 0.0001084200000000, 0.0012399000000000 ] - [ 0.0008261100000000, -0.0033803900000000, -0.0146824000000000 ] - [ -0.0011865300000000, 0.0009290900000000, 0.0005338900000000 ] - [ 0.0025319800000000, -0.0002061000000000, 0.0006528900000000 ] - [ 0.0009598800000000, -0.0000138200000000, -0.0019988900000000 ] - [ 0.0001657100000000, -0.0000077500000000, 0.0008021700000000 ] - [ 0.0000009200000000, -0.0001084400000000, 0.0013823600000000 ] - [ -0.0000014800000000, 0.0000011600000000, 0.0008216900000000 ] - [ 0.0001677700000000, -0.0000020300000000, 0.0009700600000000 ] - [ 0.0000306400000000, -0.0000176400000000, 0.0014885300000000 ] - [ 0.0002607300000000, 0.0000112900000000, 0.0014137500000000 ] - [ 0.0008238000000000, -0.0000363200000000, 0.0012028900000000 ] - [ 0.0014318900000000, -0.0000942700000000, -0.0001160000000000 ] - [ 0.0010373200000000, 0.0000274000000000, 0.0013304400000000 ] - [ -0.0013813600000000, -0.0002415900000000, -0.0051831100000000 ] - [ -0.0010488100000000, 0.0002579200000000, 0.0013491800000000 ] - [ -0.0041768100000000, 0.0029685200000000, -0.0049735900000000 ] - [ -0.0269352900000000, 0.0031580000000000, -0.0301662900000000 ] - [ 0.0002983400000000, 0.0000036600000000, 0.0008688300000000 ] - [ -0.0003671100000000, -0.0007965400000000, 0.0048131600000000 ] - [ -0.0004798400000000, -0.0004634100000000, 0.0057158300000000 ] - [ 0.0002320800000000, -0.0000847100000000, -0.0005109000000000 ] - [ 0.0018365300000000, -0.0003238000000000, -0.0035333700000000 ] - [ 0.0000836500000000, -0.0000618100000000, 0.0012190700000000 ] - [ -0.0000761800000000, -0.0000003500000000, 0.0013702300000000 ] - [ 0.0000707800000000, 0.0000620500000000, 0.0012022200000000 ] - [ 0.0000495700000000, -0.0000394200000000, 0.0013109900000000 ] - [ 0.0000762000000000, 0.0000370100000000, 0.0012672000000000 ] - [ 0.0000575900000000, 0.0000050000000000, 0.0013558900000000 ] - [ 0.0000284200000000, -0.0000150700000000, 0.0012127400000000 ] - [ 0.0000165900000000, 0.0000114900000000, 0.0015102900000000 ] - [ -0.0004899000000000, -0.0000102200000000, 0.0012930000000000 ] - [ -0.0040333900000000, -0.0025540700000000, 0.0028783100000000 ] - [ -0.0003558200000000, 0.0000083900000000, 0.0014707000000000 ] - [ 0.0014625800000000, 0.0007374800000000, -0.0069564500000000 ] - [ 0.0012430300000000, 0.0002536400000000, 0.0015332000000000 ] - [ 0.0051840500000000, -0.0010002200000000, -0.0023820500000000 ] - [ 0.0000860400000000, 0.0002875000000000, -0.0043347600000000 ] - [ -0.0002566500000000, 0.0000312300000000, 0.0017192500000000 ] - [ -0.0003710600000000, -0.0002086200000000, -0.0003387900000000 ] - [ 0.0004575700000000, 0.0000819900000000, -0.0004739000000000 ] - [ -0.0027555300000000, 0.0005431400000000, 0.0024964200000000 ] - [ -0.0128837100000000, -0.0238049100000000, -0.0196987600000000 ] - [ 0.0002395200000000, -0.0001148300000000, 0.0014468700000000 ] - [ -0.0000728800000000, 0.0000002400000000, 0.0014464200000000 ] - [ 0.0002182600000000, 0.0001157900000000, 0.0014169200000000 ] - [ 0.0000732900000000, -0.0000370600000000, 0.0012660800000000 ] - [ 0.0000516400000000, 0.0000395000000000, 0.0013118800000000 ] - [ -0.0000544500000000, 0.0000029500000000, 0.0014015900000000 ] - [ -0.0001348900000000, 0.0001585900000000, -0.0007614000000000 ] - [ -0.0004790200000000, 0.0000234300000000, -0.0002789300000000 ] - [ -0.0000453900000000, -0.0001686300000000, -0.0009978100000000 ] - [ -0.0001340200000000, 0.0000377700000000, -0.0010417300000000 ] - [ 0.0009168900000000, -0.0000681800000000, -0.0013414100000000 ] - [ -0.0019365200000000, -0.0000580800000000, 0.0007463500000000 ] - [ -0.0001197400000000, -0.0000694700000000, -0.0012591500000000 ] - [ -0.0011332400000000, -0.0004130000000000, -0.0020808900000000 ] - [ -0.0020388300000000, 0.0022263200000000, 0.0063683200000000 ] - [ -0.0016454700000000, 0.0001162900000000, 0.0005027300000000 ] - [ -0.0001093100000000, -0.0003477900000000, 0.0013925700000000 ] - [ -0.0007513900000000, 0.0002517300000000, -0.0014118100000000 ] - [ -0.0034120700000000, -0.0025180000000000, 0.0061323200000000 ] - [ 0.0065400300000000, -0.0003869000000000, -0.0054806800000000 ] - [ -0.0037850800000000, -0.0091993000000000, -0.0103352600000000 ] - [ 0.0456886400000000, 0.0284377800000000, 0.0930537700000000 ] - [ -0.0002853000000000, -0.0000145100000000, -0.0002668100000000 ] - [ -0.0013415000000000, 0.0000856700000000, 0.0006613100000000 ] - [ 0.0002438400000000, -0.0002094900000000, 0.0012472500000000 ] - [ -0.0008146300000000, -0.0000565100000000, 0.0016685600000000 ] - [ 0.0008567300000000, -0.0002019500000000, -0.0014698100000000 ] - [ -0.0001002600000000, 0.0000631400000000, -0.0006631800000000 ] - [ 0.0000613700000000, 0.0002355200000000, 0.0018887500000000 ] - [ 0.0008618600000000, 0.0000557200000000, -0.0004401600000000 ] - [ 0.0001922200000000, 0.0000015600000000, -0.0011140300000000 ] - [ -0.0001038100000000, -0.0001010200000000, -0.0009952700000000 ] - [ 0.0003593100000000, 0.0000112900000000, -0.0007629900000000 ] - [ 0.0004824200000000, -0.0000455400000000, -0.0000293200000000 ] - [ 0.0001969800000000, -0.0000016800000000, -0.0007858400000000 ] - [ -0.0000661400000000, 0.0000933700000000, -0.0007874400000000 ] - [ 0.0002303000000000, -0.0000106600000000, -0.0010401600000000 ] - [ -0.0000556900000000, -0.0000559600000000, -0.0008593400000000 ] - [ 0.0000312900000000, 0.0000009000000000, -0.0009087400000000 ] - [ -0.0000663100000000, -0.0000931700000000, -0.0007864400000000 ] - [ 0.0003162800000000, 0.0000008100000000, -0.0008796900000000 ] - [ 0.0000464300000000, 0.0000389900000000, -0.0008277800000000 ] - [ 0.0000066700000000, -0.0000007100000000, -0.0007958900000000 ] - [ 0.0000772900000000, -0.0000007100000000, -0.0011662500000000 ] - [ 0.0000182400000000, 0.0000348700000000, -0.0008174400000000 ] - [ 0.0000167500000000, -0.0000345400000000, -0.0008124200000000 ] - [ -0.0000262500000000, 0.0001660400000000, -0.0010355900000000 ] - [ 0.0004363100000000, 0.0000806000000000, -0.0012570300000000 ] - [ -0.0001544400000000, -0.0001634000000000, -0.0007342000000000 ] - [ 0.0002258000000000, 0.0000144300000000, -0.0008809000000000 ] - [ -0.0006698600000000, -0.0000324800000000, -0.0002669400000000 ] - [ 0.0067559700000000, -0.0001447800000000, -0.0032546000000000 ] - [ 0.0002541900000000, -0.0000233700000000, -0.0009778200000000 ] - [ 0.0004740100000000, 0.0000884400000000, -0.0005043500000000 ] - [ -0.0018320400000000, 0.0007912600000000, 0.0051023600000000 ] - [ 0.0020080200000000, 0.0000282700000000, 0.0016786600000000 ] - [ -0.0019077500000000, 0.0062869900000000, -0.0050570300000000 ] - [ 0.0002421200000000, -0.0000941500000000, -0.0001150200000000 ] - [ -0.0033801200000000, -0.0011842000000000, 0.0041963400000000 ] - [ -0.0013214100000000, -0.0000184300000000, 0.0007848100000000 ] - [ -0.0000677100000000, 0.0002718300000000, 0.0016648200000000 ] - [ -0.0013443100000000, -0.0000523600000000, 0.0015390400000000 ] - [ 0.0006966700000000, 0.0002312700000000, -0.0016226100000000 ] - [ 0.0020747700000000, 0.0005576600000000, 0.0014363900000000 ] - [ -0.0028221900000000, 0.0050050800000000, -0.0064999900000000 ] - [ 0.0022014000000000, -0.0024687800000000, 0.0071809400000000 ] - [ -0.0006001000000000, 0.0000084600000000, -0.0000208000000000 ] - [ -0.0000946600000000, 0.0001109800000000, -0.0010491300000000 ] - [ -0.0018721800000000, -0.0039500100000000, -0.0065792200000000 ] - [ -0.0011956200000000, -0.0004104000000000, -0.0019474500000000 ] - [ 0.0001763000000000, 0.0000025900000000, -0.0012411900000000 ] - [ -0.0001225600000000, -0.0000616100000000, -0.0006294400000000 ] - [ -0.0000806300000000, 0.0000334800000000, -0.0008654900000000 ] - [ -0.0008131400000000, 0.0002661400000000, -0.0012782200000000 ] - [ 0.0002068100000000, -0.0000025100000000, -0.0008886600000000 ] - [ -0.0000912800000000, 0.0001012500000000, -0.0008282300000000 ] - [ -0.0001028500000000, -0.0000346200000000, -0.0013151200000000 ] - [ 0.0000487000000000, -0.0000395200000000, -0.0008317000000000 ] - [ 0.0000241600000000, 0.0000005900000000, -0.0010001700000000 ] - [ -0.0000917300000000, -0.0001006500000000, -0.0008269200000000 ] - [ 0.0003071100000000, 0.0000006900000000, -0.0008793100000000 ] - [ -0.0000543300000000, 0.0000549200000000, -0.0008517300000000 ] - [ 0.0000007500000000, -0.0000014500000000, -0.0007184400000000 ] - [ 0.0000820900000000, -0.0000006100000000, -0.0011595100000000 ] - [ -0.0000475800000000, 0.0000265900000000, -0.0008330600000000 ] - [ -0.0000471700000000, -0.0000267900000000, -0.0008257100000000 ]- atom: 77 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0000067500000000, 0.0000000000000000, -0.0000069100000000 ] - [ -0.0000594500000000, 0.0000000000000000, 0.0000291400000000 ] - [ 0.0001003700000000, 0.0000000000000000, 0.0003962300000000 ] - [ -0.0001457000000000, 0.0000000000000000, 0.0001681900000000 ] - [ -0.0025610200000000, 0.0000000000000000, 0.0026266500000000 ] - [ -0.0010044600000000, 0.0000000000000000, 0.0000676100000000 ] - [ -0.0012677300000000, 0.0000000000000000, 0.0000164400000000 ] - [ 0.0020230500000000, 0.0000000000000000, -0.0023171400000000 ] - [ 0.0000647800000000, 0.0000000000000000, -0.0000563400000000 ] - [ -0.0000081000000000, 0.0000000000000000, -0.0002013000000000 ] - [ 0.0000583800000000, 0.0000000000000000, -0.0000466600000000 ] - [ -0.0001084200000000, 0.0000000000000000, 0.0000371900000000 ] - [ -0.0002557500000000, 0.0000000000000000, -0.0001864500000000 ] - [ -0.0000281100000000, 0.0000000000000000, 0.0000288900000000 ] - [ 0.0157186800000000, 0.0000000000000000, 0.0038515800000000 ] - [ 0.0029653300000000, 0.0000000000000000, -0.0000268800000000 ] - [ 0.0017423700000000, 0.0000000000000000, -0.0005827500000000 ] - [ -0.0036557000000000, 0.0000000000000000, 0.0014872300000000 ] - [ -0.0001144400000000, 0.0000000000000000, 0.0000664300000000 ] - [ 0.0001698800000000, 0.0000000000000000, 0.0002383200000000 ] - [ 0.0000409300000000, 0.0000000000000000, 0.0000842900000000 ] - [ 0.0000577500000000, 0.0000000000000000, 0.0000722000000000 ] - [ 0.0000070800000000, -0.0001492600000000, 0.0000875700000000 ] - [ -0.0000576800000000, 0.0000000000000000, 0.0002478900000000 ] - [ 0.0000070800000000, 0.0001492600000000, 0.0000875700000000 ] - [ 0.0005881200000000, 0.0001890400000000, -0.0002783900000000 ] - [ -0.0078427900000000, 0.0000000000000000, -0.0030635000000000 ] - [ -0.0040339100000000, 0.0000000000000000, 0.0016254400000000 ] - [ -0.0005462300000000, 0.0001034100000000, 0.0002920900000000 ] - [ 0.0089557900000000, 0.0000000000000000, 0.0075258700000000 ] - [ -0.0002338000000000, 0.0000000000000000, 0.0000784600000000 ] - [ -0.0045748600000000, 0.0002172000000000, -0.0017901500000000 ] - [ 0.0197420900000000, -0.0155334600000000, -0.0104475600000000 ] - [ 0.0003836600000000, 0.0000000000000000, 0.0011735500000000 ] - [ -0.0002076600000000, 0.0000983700000000, -0.0013946500000000 ] - [ 0.0001466000000000, 0.0000000000000000, -0.0003724500000000 ] - [ -0.0002076600000000, -0.0000983700000000, -0.0013946500000000 ] - [ 0.0001134800000000, -0.0000037500000000, 0.0000927200000000 ] - [ -0.0000676500000000, -0.0000462500000000, -0.0000234900000000 ] - [ 0.0009553300000000, 0.0000000000000000, 0.0000517400000000 ] - [ 0.0000718600000000, 0.0000000000000000, 0.0000365100000000 ] - [ 0.0001098200000000, 0.0000000000000000, 0.0000831900000000 ] - [ 0.0000454500000000, -0.0001423300000000, 0.0000389100000000 ] - [ -0.0003102600000000, 0.0000000000000000, 0.0000380200000000 ] - [ 0.0000454500000000, 0.0001423300000000, 0.0000389100000000 ] - [ -0.0005462300000000, -0.0001034100000000, 0.0002920900000000 ] - [ 0.0029488600000000, 0.0000000000000000, 0.0021392100000000 ] - [ -0.0003443300000000, 0.0000000000000000, -0.0012928700000000 ] - [ 0.0005881200000000, -0.0001890400000000, -0.0002783900000000 ] - [ -0.0028320900000000, 0.0000000000000000, -0.0000734000000000 ] - [ -0.0001116900000000, 0.0000000000000000, 0.0000915400000000 ] - [ 0.0197420900000000, 0.0155334600000000, -0.0104475600000000 ] - [ -0.0045748600000000, -0.0002172000000000, -0.0017901500000000 ] - [ -0.0005147300000000, 0.0000000000000000, -0.0011163300000000 ] - [ -0.0004975800000000, 0.0011815500000000, 0.0016843600000000 ] - [ -0.0001691000000000, 0.0000000000000000, 0.0005787500000000 ] - [ -0.0004975800000000, -0.0011815500000000, 0.0016843600000000 ] - [ -0.0000676500000000, 0.0000462500000000, -0.0000234900000000 ] - [ 0.0001134800000000, 0.0000037500000000, 0.0000927200000000 ] - [ -0.0006653000000000, 0.0000000000000000, 0.0000510700000000 ] - [ -0.0000331900000000, 0.0001371500000000, -0.0000540600000000 ] - [ -0.0001108400000000, 0.0000000000000000, 0.0000295000000000 ] - [ -0.0000279000000000, -0.0001364000000000, -0.0000558400000000 ] - [ -0.0000051400000000, 0.0000000000000000, -0.0000770600000000 ] - [ -0.0000555500000000, 0.0000000000000000, -0.0000527400000000 ] - [ -0.0001188700000000, 0.0000456100000000, -0.0001504900000000 ] - [ 0.0000868800000000, 0.0000000000000000, -0.0001822100000000 ] - [ -0.0000346300000000, 0.0000023300000000, -0.0000712500000000 ] - [ 0.0004298300000000, 0.0000000000000000, -0.0010577500000000 ] - [ -0.0001188700000000, -0.0000456100000000, -0.0001504900000000 ] - [ -0.0002575000000000, 0.0000000000000000, -0.0000219100000000 ] - [ -0.0000346300000000, -0.0000023300000000, -0.0000712500000000 ] - [ 0.0003211300000000, 0.0000000000000000, -0.0003907300000000 ] - [ 0.0018482600000000, -0.0004159700000000, -0.0003101100000000 ] - [ 0.0001213100000000, 0.0000000000000000, -0.0000710800000000 ] - [ 0.0005272100000000, 0.0001873500000000, 0.0002990700000000 ] - [ -0.0793700600000000, 0.0000000000000000, 0.0081345200000000 ] - [ -0.0028493800000000, 0.0029064500000000, 0.0041019800000000 ] - [ 0.0031492100000000, 0.0000000000000000, -0.0084360700000000 ] - [ -0.0008541500000000, -0.0002741300000000, -0.0004892200000000 ] - [ 0.0039536200000000, 0.0000000000000000, -0.0004540300000000 ] - [ -0.0014425500000000, -0.0009916900000000, 0.0019917100000000 ] - [ -0.0007288200000000, 0.0000000000000000, -0.0016220400000000 ] - [ 0.0070064500000000, -0.0043327400000000, 0.0009622400000000 ] - [ 0.0000681200000000, 0.0000000000000000, 0.0007581600000000 ] - [ 0.0014086000000000, 0.0003009500000000, -0.0003987300000000 ] - [ 0.0010936000000000, 0.0000000000000000, 0.0012399900000000 ] - [ 0.0070064500000000, 0.0043327400000000, 0.0009622400000000 ] - [ -0.0002705000000000, 0.0000000000000000, 0.0005512500000000 ] - [ 0.0000570800000000, -0.0000210200000000, 0.0001251800000000 ] - [ 0.0008784700000000, 0.0000000000000000, 0.0017404300000000 ] - [ -0.0006588900000000, 0.0001471800000000, -0.0004545400000000 ] - [ -0.0000003800000000, 0.0000000000000000, 0.0001013300000000 ] - [ 0.0000570800000000, 0.0000210200000000, 0.0001251800000000 ] - [ 0.0003914700000000, 0.0000000000000000, -0.0001379800000000 ] - [ 0.0006622000000000, -0.0001357200000000, 0.0002854800000000 ] - [ -0.0000234700000000, 0.0000000000000000, 0.0000268100000000 ] - [ -0.0001009900000000, 0.0000000000000000, -0.0001152600000000 ] - [ 0.0000095500000000, 0.0000188500000000, -0.0000166900000000 ] - [ 0.0000095500000000, -0.0000188500000000, -0.0000166900000000 ] - [ -0.0000279000000000, 0.0001364000000000, -0.0000558400000000 ] - [ -0.0000798100000000, 0.0000000000000000, 0.0001229000000000 ] - [ -0.0000331900000000, -0.0001371500000000, -0.0000540600000000 ] - [ -0.0000410700000000, 0.0000000000000000, -0.0000527800000000 ] - [ -0.0000797800000000, 0.0000000000000000, -0.0001156400000000 ] - [ -0.0000091000000000, -0.0000597400000000, 0.0001809200000000 ] - [ 0.0000622700000000, 0.0000000000000000, -0.0001638200000000 ] - [ -0.0000943500000000, -0.0000085600000000, -0.0000485500000000 ] - [ -0.0002168700000000, 0.0000000000000000, 0.0011796700000000 ] - [ -0.0000091000000000, 0.0000597400000000, 0.0001809200000000 ] - [ 0.0001949600000000, 0.0000000000000000, -0.0001223400000000 ] - [ -0.0000943500000000, 0.0000085600000000, -0.0000485500000000 ] - [ -0.0003164700000000, 0.0000000000000000, 0.0004849800000000 ] - [ -0.0028493800000000, -0.0029064500000000, 0.0041019800000000 ] - [ -0.0001725700000000, 0.0000000000000000, -0.0001647000000000 ] - [ -0.0008541500000000, 0.0002741300000000, -0.0004892200000000 ] - [ 0.0038983700000000, 0.0000000000000000, -0.0000152500000000 ] - [ 0.0018482600000000, 0.0004159700000000, -0.0003101100000000 ] - [ 0.0010744500000000, 0.0000000000000000, 0.0012417500000000 ] - [ 0.0005272100000000, -0.0001873500000000, 0.0002990700000000 ] - [ -0.0059713200000000, 0.0000000000000000, 0.0013940700000000 ] - [ 0.0014086000000000, -0.0003009500000000, -0.0003987300000000 ] - [ 0.0014740600000000, 0.0000000000000000, 0.0017134900000000 ] - [ 0.0086873200000000, -0.0049651900000000, 0.0005883300000000 ] - [ 0.0007089000000000, 0.0000000000000000, -0.0010907800000000 ] - [ -0.0014425500000000, 0.0009916900000000, 0.0019917100000000 ] - [ 0.0025069400000000, 0.0000000000000000, -0.0054698700000000 ] - [ 0.0086873200000000, 0.0049651900000000, 0.0005883300000000 ] - [ 0.0003860900000000, 0.0000000000000000, -0.0003963800000000 ] - [ -0.0000258800000000, 0.0000691300000000, -0.0001975100000000 ] - [ -0.0007689200000000, 0.0000000000000000, -0.0011257500000000 ] - [ 0.0006622000000000, 0.0001357200000000, 0.0002854800000000 ] - [ -0.0000263100000000, 0.0000000000000000, 0.0000137200000000 ] - [ -0.0000258800000000, -0.0000691300000000, -0.0001975100000000 ] - [ -0.0000218000000000, 0.0000000000000000, -0.0000893200000000 ] - [ -0.0006588900000000, -0.0001471800000000, -0.0004545400000000 ] - [ 0.0000051500000000, 0.0000000000000000, 0.0001011200000000 ] - [ 0.0001376500000000, 0.0000000000000000, -0.0000040900000000 ] - [ 0.0000799700000000, 0.0000340000000000, -0.0000257200000000 ] - [ 0.0000799700000000, -0.0000340000000000, -0.0000257200000000 ]- atom: 77 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0000593300000000, 0.0000000000000000, -0.0001494700000000 ] - [ -0.0000971800000000, 0.0000000000000000, -0.0000619800000000 ] - [ -0.0002197700000000, 0.0000000000000000, -0.0004150100000000 ] - [ -0.0000532100000000, 0.0000000000000000, -0.0000813700000000 ] - [ 0.0025457000000000, 0.0000000000000000, -0.0026738300000000 ] - [ 0.0010749500000000, 0.0000000000000000, -0.0000785000000000 ] - [ 0.0013104600000000, 0.0000000000000000, 0.0000265600000000 ] - [ -0.0020520600000000, 0.0000000000000000, 0.0022762500000000 ] - [ -0.0001138800000000, 0.0000000000000000, -0.0000217400000000 ] - [ 0.0002493600000000, 0.0000000000000000, 0.0001577600000000 ] - [ 0.0000077500000000, 0.0000000000000000, -0.0001102300000000 ] - [ -0.0000479700000000, 0.0000000000000000, -0.0000706600000000 ] - [ 0.0001410900000000, 0.0000000000000000, 0.0001672400000000 ] - [ -0.0001705600000000, 0.0000000000000000, 0.0000583800000000 ] - [ -0.0145275100000000, 0.0000000000000000, -0.0029839400000000 ] - [ -0.0029044100000000, 0.0000000000000000, 0.0000254800000000 ] - [ -0.0016848200000000, 0.0000000000000000, 0.0006134500000000 ] - [ 0.0036464400000000, 0.0000000000000000, -0.0015274800000000 ] - [ 0.0000654400000000, 0.0000000000000000, -0.0001434400000000 ] - [ 0.0000760200000000, 0.0000000000000000, -0.0002822800000000 ] - [ 0.0000768500000000, 0.0000000000000000, -0.0001206300000000 ] - [ 0.0001058200000000, 0.0000000000000000, -0.0000854800000000 ] - [ 0.0000306400000000, -0.0001480900000000, -0.0001131400000000 ] - [ -0.0002557800000000, 0.0000000000000000, -0.0001235800000000 ] - [ 0.0000306400000000, 0.0001480900000000, -0.0001131400000000 ] - [ -0.0006592400000000, -0.0000097600000000, 0.0002601200000000 ] - [ 0.0078920200000000, 0.0000000000000000, 0.0031357400000000 ] - [ 0.0039373300000000, 0.0000000000000000, -0.0015806700000000 ] - [ 0.0004752400000000, -0.0002837600000000, -0.0003149100000000 ] - [ -0.0087354500000000, 0.0000000000000000, -0.0072140600000000 ] - [ -0.0001048200000000, 0.0000000000000000, -0.0000698900000000 ] - [ 0.0046150800000000, -0.0002992800000000, 0.0017523400000000 ] - [ -0.0197195200000000, 0.0160154000000000, 0.0107450500000000 ] - [ -0.0005125200000000, 0.0000000000000000, -0.0011110000000000 ] - [ 0.0004581100000000, -0.0001296300000000, 0.0013584300000000 ] - [ -0.0002292900000000, 0.0000000000000000, 0.0003533900000000 ] - [ 0.0004581100000000, 0.0001296300000000, 0.0013584300000000 ] - [ -0.0000628900000000, 0.0000300200000000, -0.0001794900000000 ] - [ 0.0001163700000000, 0.0000200300000000, -0.0000628400000000 ] - [ -0.0008552100000000, 0.0000000000000000, -0.0000795500000000 ] - [ 0.0000455700000000, 0.0000000000000000, -0.0000729800000000 ] - [ 0.0000541000000000, 0.0000000000000000, -0.0000968700000000 ] - [ -0.0000073600000000, -0.0001550100000000, -0.0000643600000000 ] - [ -0.0000009900000000, 0.0000000000000000, 0.0000861100000000 ] - [ -0.0000073600000000, 0.0001550100000000, -0.0000643600000000 ] - [ 0.0004752400000000, 0.0002837600000000, -0.0003149100000000 ] - [ -0.0029080100000000, 0.0000000000000000, -0.0020864600000000 ] - [ 0.0002754300000000, 0.0000000000000000, 0.0013462500000000 ] - [ -0.0006592400000000, 0.0000097600000000, 0.0002601200000000 ] - [ 0.0029306200000000, 0.0000000000000000, -0.0000346100000000 ] - [ -0.0002272900000000, 0.0000000000000000, -0.0000821300000000 ] - [ -0.0197195200000000, -0.0160154000000000, 0.0107450500000000 ] - [ 0.0046150800000000, 0.0002992800000000, 0.0017523400000000 ] - [ 0.0003967100000000, 0.0000000000000000, 0.0011714700000000 ] - [ 0.0007755000000000, -0.0012119200000000, -0.0017163200000000 ] - [ 0.0000867600000000, 0.0000000000000000, -0.0005917700000000 ] - [ 0.0007755000000000, 0.0012119200000000, -0.0017163200000000 ] - [ 0.0001163700000000, -0.0000200300000000, -0.0000628400000000 ] - [ -0.0000628900000000, -0.0000300200000000, -0.0001794900000000 ] - [ 0.0007599100000000, 0.0000000000000000, -0.0000707500000000 ] - [ -0.0000173800000000, 0.0001336800000000, 0.0000440700000000 ] - [ -0.0000890100000000, 0.0000000000000000, 0.0002583000000000 ] - [ -0.0000228100000000, -0.0001346500000000, 0.0000457000000000 ] - [ -0.0000523900000000, 0.0000000000000000, 0.0000563400000000 ] - [ -0.0000965200000000, 0.0000000000000000, -0.0000246400000000 ] - [ -0.0000049700000000, -0.0000681400000000, 0.0002406100000000 ] - [ 0.0000599700000000, 0.0000000000000000, -0.0000559000000000 ] - [ -0.0000797900000000, -0.0000031100000000, 0.0000468200000000 ] - [ -0.0007325400000000, 0.0000000000000000, 0.0012187100000000 ] - [ -0.0000049700000000, 0.0000681400000000, 0.0002406100000000 ] - [ 0.0001654300000000, 0.0000000000000000, 0.0000433800000000 ] - [ -0.0000797900000000, 0.0000031100000000, 0.0000468200000000 ] - [ -0.0003792400000000, 0.0000000000000000, 0.0003297200000000 ] - [ -0.0018658300000000, 0.0002898700000000, 0.0001811500000000 ] - [ -0.0001659400000000, 0.0000000000000000, -0.0000273800000000 ] - [ -0.0005114000000000, 0.0000336400000000, -0.0002627300000000 ] - [ 0.0781853000000000, 0.0000000000000000, -0.0101428400000000 ] - [ 0.0028042600000000, -0.0027890200000000, -0.0042483600000000 ] - [ -0.0031919900000000, 0.0000000000000000, 0.0085721400000000 ] - [ 0.0008731700000000, 0.0000539800000000, 0.0005222900000000 ] - [ -0.0041192400000000, 0.0000000000000000, 0.0004898700000000 ] - [ 0.0014109500000000, 0.0010004000000000, -0.0020399000000000 ] - [ 0.0005895400000000, 0.0000000000000000, 0.0014559600000000 ] - [ -0.0070003400000000, 0.0044015100000000, -0.0007634100000000 ] - [ 0.0001967800000000, 0.0000000000000000, -0.0008111200000000 ] - [ -0.0014622400000000, -0.0003265200000000, 0.0003226300000000 ] - [ -0.0010616000000000, 0.0000000000000000, -0.0011710000000000 ] - [ -0.0070003400000000, -0.0044015100000000, -0.0007634100000000 ] - [ 0.0003597600000000, 0.0000000000000000, -0.0005274000000000 ] - [ -0.0000174200000000, 0.0000532200000000, -0.0001215400000000 ] - [ -0.0008203200000000, 0.0000000000000000, -0.0017160800000000 ] - [ 0.0008751200000000, -0.0000356200000000, 0.0004115500000000 ] - [ -0.0000347900000000, 0.0000000000000000, 0.0001475400000000 ] - [ -0.0000174200000000, -0.0000532200000000, -0.0001215400000000 ] - [ -0.0000685100000000, 0.0000000000000000, 0.0000575600000000 ] - [ -0.0004394600000000, 0.0000245500000000, -0.0003311200000000 ] - [ 0.0000008900000000, 0.0000000000000000, 0.0001971300000000 ] - [ 0.0001397700000000, 0.0000000000000000, 0.0001015500000000 ] - [ 0.0000897100000000, 0.0000312000000000, 0.0000736000000000 ] - [ 0.0000897100000000, -0.0000312000000000, 0.0000736000000000 ] - [ -0.0000228100000000, 0.0001346500000000, 0.0000457000000000 ] - [ -0.0001202300000000, 0.0000000000000000, 0.0001647900000000 ] - [ -0.0000173800000000, -0.0001336800000000, 0.0000440700000000 ] - [ -0.0000165300000000, 0.0000000000000000, 0.0000320800000000 ] - [ -0.0000712300000000, 0.0000000000000000, 0.0000385900000000 ] - [ -0.0001162200000000, 0.0000379200000000, -0.0000918400000000 ] - [ 0.0000846200000000, 0.0000000000000000, -0.0000743600000000 ] - [ -0.0000201200000000, 0.0000079300000000, 0.0000237900000000 ] - [ -0.0000881400000000, 0.0000000000000000, -0.0010267700000000 ] - [ -0.0001162200000000, -0.0000379200000000, -0.0000918400000000 ] - [ -0.0002881500000000, 0.0000000000000000, 0.0001452400000000 ] - [ -0.0000201200000000, -0.0000079300000000, 0.0000237900000000 ] - [ 0.0002537600000000, 0.0000000000000000, -0.0005499200000000 ] - [ 0.0028042600000000, 0.0027890200000000, -0.0042483600000000 ] - [ 0.0001281500000000, 0.0000000000000000, 0.0000646000000000 ] - [ 0.0008731700000000, -0.0000539800000000, 0.0005222900000000 ] - [ -0.0037665100000000, 0.0000000000000000, 0.0000366600000000 ] - [ -0.0018658300000000, -0.0002898700000000, 0.0001811500000000 ] - [ -0.0011212700000000, 0.0000000000000000, -0.0011755800000000 ] - [ -0.0005114000000000, -0.0000336400000000, -0.0002627300000000 ] - [ 0.0057997300000000, 0.0000000000000000, -0.0013571400000000 ] - [ -0.0014622400000000, 0.0003265200000000, 0.0003226300000000 ] - [ -0.0016335800000000, 0.0000000000000000, -0.0018570200000000 ] - [ -0.0085293600000000, 0.0049013600000000, -0.0003830400000000 ] - [ -0.0004488700000000, 0.0000000000000000, 0.0010245100000000 ] - [ 0.0014109500000000, -0.0010004000000000, -0.0020399000000000 ] - [ -0.0024959900000000, 0.0000000000000000, 0.0055221800000000 ] - [ -0.0085293600000000, -0.0049013600000000, -0.0003830400000000 ] - [ -0.0003009400000000, 0.0000000000000000, 0.0004147600000000 ] - [ 0.0000636000000000, -0.0000361500000000, 0.0001994600000000 ] - [ 0.0008129800000000, 0.0000000000000000, 0.0011565800000000 ] - [ -0.0004394600000000, -0.0000245500000000, -0.0003311200000000 ] - [ -0.0000092800000000, 0.0000000000000000, 0.0002349100000000 ] - [ 0.0000636000000000, 0.0000361500000000, 0.0001994600000000 ] - [ 0.0003427100000000, 0.0000000000000000, 0.0000107400000000 ] - [ 0.0008751200000000, 0.0000356200000000, 0.0004115500000000 ] - [ -0.0000273100000000, 0.0000000000000000, 0.0001230200000000 ] - [ -0.0000978600000000, 0.0000000000000000, -0.0000109700000000 ] - [ 0.0000194100000000, 0.0000160800000000, 0.0000821700000000 ] - [ 0.0000194100000000, -0.0000160800000000, 0.0000821700000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000317800000000, -0.0000029600000000, -0.0000761600000000 ] - [ -0.0000739900000000, 0.0000012900000000, -0.0000180900000000 ] - [ -0.0000592400000000, 0.0001075500000000, -0.0000089000000000 ] - [ -0.0000987000000000, 0.0000098400000000, 0.0000434500000000 ] - [ -0.0000056800000000, -0.0022913400000000, -0.0000172800000000 ] - [ 0.0000348200000000, -0.0000696200000000, -0.0000043500000000 ] - [ 0.0000239600000000, 0.0000244400000000, 0.0000198600000000 ] - [ 0.0000142600000000, -0.0038124200000000, -0.0000170700000000 ] - [ -0.0000221700000000, -0.0000108100000000, -0.0000373400000000 ] - [ 0.0001221400000000, -0.0000209800000000, -0.0000209300000000 ] - [ 0.0000318200000000, -0.0000030100000000, -0.0000760600000000 ] - [ -0.0000741200000000, 0.0000010200000000, -0.0000178800000000 ] - [ -0.0000594100000000, 0.0000228300000000, -0.0000098700000000 ] - [ -0.0000984900000000, 0.0000167900000000, 0.0000432000000000 ] - [ -0.0000475300000000, 0.0079387600000000, -0.0000328700000000 ] - [ 0.0000401600000000, 0.0023817300000000, -0.0000020500000000 ] - [ 0.0000256000000000, -0.0013018500000000, 0.0000199300000000 ] - [ 0.0000084200000000, 0.0012053500000000, -0.0000260400000000 ] - [ -0.0000219500000000, -0.0000050800000000, -0.0000372200000000 ] - [ 0.0001230700000000, -0.0000441500000000, -0.0000215300000000 ] - [ 0.0000636500000000, -0.0000004500000000, -0.0000146600000000 ] - [ 0.0000787200000000, -0.0000007600000000, 0.0000012600000000 ] - [ 0.0000137000000000, -0.0001528700000000, -0.0000154400000000 ] - [ -0.0001546600000000, -0.0000308000000000, 0.0000607100000000 ] - [ 0.0000142900000000, 0.0001531900000000, -0.0000122200000000 ] - [ -0.0001506300000000, 0.0000831500000000, -0.0002700400000000 ] - [ -0.0000058000000000, 0.0048868100000000, 0.0000206800000000 ] - [ -0.0000521100000000, -0.0000266500000000, 0.0000278800000000 ] - [ -0.0000268900000000, -0.0000913400000000, -0.0000213200000000 ] - [ 0.0000482400000000, 0.0065647400000000, 0.0001670400000000 ] - [ -0.0001736600000000, 0.0000016600000000, 0.0000033300000000 ] - [ -0.0009032500000000, -0.0000174100000000, -0.0008398200000000 ] - [ -0.0151126300000000, 0.0274222400000000, 0.0166512200000000 ] - [ -0.0000651800000000, -0.0003452300000000, 0.0000275900000000 ] - [ 0.0014171100000000, 0.0001445600000000, 0.0009085500000000 ] - [ -0.0000360900000000, 0.0000778500000000, -0.0000056100000000 ] - [ -0.0011511900000000, 0.0001759800000000, -0.0009433100000000 ] - [ 0.0000281300000000, 0.0000106400000000, -0.0000373300000000 ] - [ 0.0000127900000000, -0.0000096200000000, -0.0000491200000000 ] - [ 0.0000421000000000, 0.0001538600000000, -0.0000184300000000 ] - [ 0.0000638500000000, 0.0000007200000000, -0.0000144500000000 ] - [ 0.0000787500000000, -0.0000004300000000, 0.0000004800000000 ] - [ 0.0000133000000000, -0.0001528400000000, -0.0000166700000000 ] - [ -0.0001546300000000, -0.0000417500000000, 0.0000600900000000 ] - [ 0.0000154100000000, 0.0001527400000000, -0.0000108200000000 ] - [ -0.0000430800000000, 0.0000885600000000, 0.0000006800000000 ] - [ -0.0000436600000000, -0.0063246000000000, 0.0000320700000000 ] - [ -0.0000407200000000, -0.0058878000000000, 0.0000248600000000 ] - [ 0.0000835100000000, -0.0000969900000000, 0.0002481900000000 ] - [ 0.0000559100000000, -0.0003801800000000, -0.0000575400000000 ] - [ -0.0001733800000000, -0.0000008100000000, 0.0000028000000000 ] - [ 0.0142214200000000, 0.0260914400000000, -0.0155488600000000 ] - [ 0.0009482100000000, 0.0000673100000000, 0.0008110400000000 ] - [ -0.0000663100000000, 0.0002912400000000, 0.0000279500000000 ] - [ 0.0001683500000000, 0.0000386400000000, -0.0000600200000000 ] - [ -0.0000357800000000, 0.0000148800000000, -0.0000061800000000 ] - [ 0.0001074900000000, 0.0000852600000000, 0.0000221100000000 ] - [ 0.0000339200000000, 0.0000109900000000, -0.0000346500000000 ] - [ 0.0000188100000000, -0.0000104500000000, -0.0000467700000000 ] - [ 0.0000424900000000, 0.0000085600000000, -0.0000158500000000 ] - [ -0.0000246000000000, 0.0001295400000000, -0.0000008100000000 ] - [ -0.0001036000000000, 0.0000016500000000, 0.0001388400000000 ] - [ -0.0000243900000000, -0.0001302400000000, 0.0000004800000000 ] - [ -0.0000344200000000, 0.0000001700000000, -0.0000062800000000 ] - [ -0.0000732400000000, -0.0000059800000000, -0.0000377400000000 ] - [ -0.0000450800000000, -0.0000084100000000, 0.0000211400000000 ] - [ 0.0000766600000000, -0.0000002000000000, -0.0001177900000000 ] - [ -0.0000525000000000, -0.0000028000000000, -0.0000140200000000 ] - [ -0.0001499600000000, 0.0000220000000000, 0.0000785800000000 ] - [ -0.0000821400000000, 0.0000099100000000, 0.0000665100000000 ] - [ -0.0000453900000000, 0.0000064100000000, 0.0000096300000000 ] - [ -0.0000557100000000, 0.0000023500000000, -0.0000113200000000 ] - [ -0.0000294100000000, 0.0000202800000000, -0.0000306400000000 ] - [ -0.0001993100000000, -0.0000831800000000, 0.0002390700000000 ] - [ -0.0000214300000000, 0.0000041000000000, -0.0000463500000000 ] - [ -0.0000012700000000, 0.0000988100000000, 0.0000340200000000 ] - [ 0.0010757100000000, -0.0952969300000000, -0.0013386100000000 ] - [ 0.0042627100000000, 0.0036341200000000, 0.0086018400000000 ] - [ -0.0000065600000000, -0.0052465800000000, 0.0000192800000000 ] - [ -0.0003125300000000, -0.0001494600000000, 0.0002957300000000 ] - [ -0.0000872900000000, -0.0010976700000000, 0.0000177700000000 ] - [ -0.0019377100000000, 0.0020662200000000, -0.0037416200000000 ] - [ -0.0000707200000000, 0.0018535400000000, -0.0000898800000000 ] - [ -0.0068003800000000, 0.0021059900000000, -0.0011581700000000 ] - [ 0.0001330000000000, 0.0007049900000000, -0.0000297500000000 ] - [ 0.0000048600000000, -0.0000510400000000, -0.0002818500000000 ] - [ 0.0000150500000000, 0.0009604500000000, 0.0000384900000000 ] - [ 0.0068063500000000, 0.0021005400000000, 0.0013431500000000 ] - [ 0.0000386300000000, -0.0004432800000000, 0.0000082400000000 ] - [ 0.0000002400000000, 0.0000345500000000, -0.0000323600000000 ] - [ 0.0000241600000000, -0.0007610600000000, 0.0000104600000000 ] - [ 0.0003017900000000, 0.0000590800000000, -0.0001286500000000 ] - [ -0.0000149200000000, 0.0000058500000000, 0.0001251800000000 ] - [ 0.0000400200000000, -0.0000085100000000, 0.0000304900000000 ] - [ 0.0001614000000000, 0.0000057500000000, -0.0000393300000000 ] - [ 0.0001425400000000, -0.0000708800000000, -0.0000039800000000 ] - [ -0.0000083900000000, -0.0000013500000000, 0.0001123800000000 ] - [ 0.0000152100000000, 0.0000007100000000, -0.0000129100000000 ] - [ 0.0000491300000000, 0.0000277900000000, 0.0000305900000000 ] - [ 0.0000458000000000, -0.0000274600000000, 0.0000316700000000 ] - [ -0.0000244100000000, 0.0001299600000000, -0.0000009500000000 ] - [ -0.0001032800000000, 0.0000061400000000, 0.0001392600000000 ] - [ -0.0000245300000000, -0.0001297200000000, 0.0000004300000000 ] - [ -0.0000341400000000, -0.0000000800000000, -0.0000062100000000 ] - [ -0.0000729000000000, -0.0000021800000000, -0.0000376900000000 ] - [ -0.0000984100000000, 0.0000057300000000, -0.0000113600000000 ] - [ 0.0000769600000000, 0.0000000700000000, -0.0001176400000000 ] - [ -0.0000521200000000, -0.0000030500000000, -0.0000152500000000 ] - [ -0.0001510600000000, 0.0007090400000000, 0.0000813400000000 ] - [ -0.0000286000000000, 0.0000229700000000, 0.0000990800000000 ] - [ -0.0000449300000000, -0.0000053500000000, 0.0000096500000000 ] - [ -0.0000564000000000, 0.0000021000000000, -0.0000104800000000 ] - [ -0.0000300200000000, -0.0006542800000000, -0.0000289800000000 ] - [ -0.0042467200000000, 0.0035441500000000, -0.0086754300000000 ] - [ -0.0000214900000000, -0.0000010700000000, -0.0000464500000000 ] - [ 0.0003291100000000, 0.0000746000000000, -0.0002621500000000 ] - [ 0.0000639100000000, 0.0012098500000000, 0.0000151500000000 ] - [ 0.0001791800000000, 0.0000334000000000, -0.0003738900000000 ] - [ -0.0000141400000000, 0.0009737400000000, 0.0000268700000000 ] - [ 0.0000198200000000, -0.0001257200000000, 0.0000005300000000 ] - [ -0.0000814000000000, 0.0230208100000000, 0.0000006800000000 ] - [ -0.0000644900000000, -0.0000125100000000, 0.0002056700000000 ] - [ -0.0000803600000000, -0.0008474500000000, -0.0000800900000000 ] - [ -0.0050960200000000, 0.0017674400000000, 0.0000348700000000 ] - [ 0.0001302500000000, 0.0000221300000000, -0.0000276000000000 ] - [ 0.0018785600000000, 0.0020444100000000, 0.0036502100000000 ] - [ -0.0000028300000000, -0.0015015400000000, 0.0000573700000000 ] - [ 0.0052007400000000, 0.0017389900000000, 0.0001715300000000 ] - [ 0.0000380100000000, 0.0000182700000000, 0.0000076000000000 ] - [ 0.0000256200000000, 0.0000222500000000, -0.0000118300000000 ] - [ 0.0000281100000000, 0.0004062900000000, 0.0000064900000000 ] - [ 0.0000830600000000, 0.0000592900000000, -0.0000389700000000 ] - [ -0.0000147400000000, 0.0000016700000000, 0.0001253400000000 ] - [ 0.0000144200000000, -0.0000212000000000, 0.0000103600000000 ] - [ 0.0001618100000000, -0.0000045500000000, -0.0000392100000000 ] - [ -0.0000749100000000, -0.0000660100000000, 0.0000870400000000 ] - [ -0.0000086300000000, -0.0000043900000000, 0.0001124800000000 ] - [ 0.0000147700000000, -0.0000057000000000, -0.0000137900000000 ] - [ 0.0000477400000000, 0.0000279300000000, 0.0000303400000000 ] - [ 0.0000469100000000, -0.0000276000000000, 0.0000319800000000 ]- atom: 77 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0000996800000000, 0.0000000000000000, -0.0013040800000000 ] - [ 0.0000572800000000, 0.0000000000000000, -0.0012184300000000 ] - [ 0.0002886200000000, 0.0000000000000000, -0.0014307400000000 ] - [ -0.0000989400000000, 0.0000000000000000, -0.0012326900000000 ] - [ 0.0005216600000000, 0.0000000000000000, 0.0031794000000000 ] - [ -0.0002372000000000, 0.0000000000000000, 0.0000041500000000 ] - [ -0.0000636000000000, 0.0000000000000000, 0.0003881200000000 ] - [ -0.0020029400000000, 0.0000000000000000, 0.0068364600000000 ] - [ -0.0000475600000000, 0.0000000000000000, -0.0013058000000000 ] - [ -0.0004838900000000, 0.0000000000000000, -0.0011616500000000 ] - [ 0.0000537700000000, 0.0000000000000000, -0.0013605600000000 ] - [ 0.0000041200000000, 0.0000000000000000, -0.0011745600000000 ] - [ -0.0009267600000000, 0.0000000000000000, -0.0010319500000000 ] - [ -0.0001960100000000, 0.0000000000000000, -0.0014107300000000 ] - [ 0.0079192400000000, 0.0000000000000000, 0.0168474100000000 ] - [ 0.0005059200000000, 0.0000000000000000, -0.0039303100000000 ] - [ 0.0032632300000000, 0.0000000000000000, -0.0023225800000000 ] - [ 0.0019450600000000, 0.0000000000000000, 0.0046237100000000 ] - [ 0.0000247500000000, 0.0000000000000000, -0.0011477200000000 ] - [ 0.0006259600000000, 0.0000000000000000, -0.0013650600000000 ] - [ 0.0001215500000000, 0.0000000000000000, -0.0018944700000000 ] - [ -0.0000158200000000, 0.0000000000000000, -0.0020448200000000 ] - [ -0.0000856500000000, -0.0002128400000000, -0.0018341000000000 ] - [ 0.0002253000000000, 0.0000000000000000, -0.0019249700000000 ] - [ -0.0000856500000000, 0.0002128400000000, -0.0018341000000000 ] - [ 0.0000856700000000, 0.0006037900000000, -0.0026342600000000 ] - [ -0.0027078300000000, 0.0000000000000000, 0.0055963100000000 ] - [ 0.0051827300000000, 0.0000000000000000, 0.0002081300000000 ] - [ 0.0001727400000000, -0.0003991700000000, -0.0013053000000000 ] - [ 0.0068361900000000, 0.0000000000000000, 0.0834466600000000 ] - [ -0.0001690200000000, 0.0000000000000000, -0.0017608400000000 ] - [ -0.0007924500000000, 0.0000705800000000, 0.0044303000000000 ] - [ -0.0064365000000000, 0.0145483500000000, 0.0239973400000000 ] - [ 0.0016666200000000, 0.0000000000000000, -0.0008473700000000 ] - [ -0.0048553700000000, -0.0006153400000000, -0.0016892000000000 ] - [ -0.0001157100000000, 0.0000000000000000, -0.0027554200000000 ] - [ -0.0048553700000000, 0.0006153400000000, -0.0016892000000000 ] - [ 0.0001201000000000, 0.0000742100000000, -0.0019788100000000 ] - [ -0.0002318100000000, -0.0000295600000000, -0.0018235800000000 ] - [ 0.0004025500000000, 0.0000000000000000, -0.0032503100000000 ] - [ 0.0001052500000000, 0.0000000000000000, -0.0019163900000000 ] - [ 0.0000228900000000, 0.0000000000000000, -0.0021258000000000 ] - [ -0.0001479300000000, -0.0002025500000000, -0.0018948700000000 ] - [ -0.0004125700000000, 0.0000000000000000, -0.0018253400000000 ] - [ -0.0001479300000000, 0.0002025500000000, -0.0018948700000000 ] - [ 0.0001727400000000, 0.0003991700000000, -0.0013053000000000 ] - [ 0.0008780100000000, 0.0000000000000000, 0.0071302700000000 ] - [ -0.0053605200000000, 0.0000000000000000, -0.0007928800000000 ] - [ 0.0000856700000000, -0.0006037900000000, -0.0026342600000000 ] - [ -0.0008502900000000, 0.0000000000000000, 0.0042390400000000 ] - [ -0.0000503100000000, 0.0000000000000000, -0.0020672600000000 ] - [ -0.0064365000000000, -0.0145483500000000, 0.0239973400000000 ] - [ -0.0007924500000000, -0.0000705800000000, 0.0044303000000000 ] - [ -0.0015662900000000, 0.0000000000000000, -0.0001884400000000 ] - [ 0.0024896900000000, -0.0028257400000000, -0.0010722200000000 ] - [ 0.0001277200000000, 0.0000000000000000, -0.0018218800000000 ] - [ 0.0024896900000000, 0.0028257400000000, -0.0010722200000000 ] - [ -0.0002318100000000, 0.0000295600000000, -0.0018235800000000 ] - [ 0.0001201000000000, -0.0000742100000000, -0.0019788100000000 ] - [ -0.0001822400000000, 0.0000000000000000, -0.0011488300000000 ] - [ 0.0000981800000000, 0.0000988400000000, 0.0012109300000000 ] - [ -0.0002062400000000, 0.0000000000000000, 0.0017872200000000 ] - [ 0.0001040700000000, -0.0001024300000000, 0.0012175800000000 ] - [ -0.0001709500000000, 0.0000000000000000, 0.0012526000000000 ] - [ -0.0001880100000000, 0.0000000000000000, 0.0011170700000000 ] - [ -0.0001269600000000, -0.0001366600000000, 0.0010899400000000 ] - [ 0.0000271800000000, 0.0000000000000000, 0.0011493600000000 ] - [ 0.0000458600000000, 0.0000816800000000, 0.0010451000000000 ] - [ -0.0011130300000000, 0.0000000000000000, 0.0016477300000000 ] - [ -0.0001269600000000, 0.0001366600000000, 0.0010899400000000 ] - [ -0.0004384600000000, 0.0000000000000000, 0.0014644200000000 ] - [ 0.0000458600000000, -0.0000816800000000, 0.0010451000000000 ] - [ -0.0005816300000000, 0.0000000000000000, 0.0003658100000000 ] - [ -0.0009223800000000, 0.0005714700000000, -0.0016666300000000 ] - [ -0.0000284700000000, 0.0000000000000000, 0.0011612300000000 ] - [ 0.0003609600000000, 0.0001629000000000, 0.0002927600000000 ] - [ -0.0018211200000000, 0.0000000000000000, -0.1749793000000000 ] - [ 0.0059428300000000, 0.0093828700000000, 0.0099249300000000 ] - [ -0.0114604500000000, 0.0000000000000000, 0.0079092000000000 ] - [ -0.0004424500000000, 0.0000835100000000, 0.0016197400000000 ] - [ 0.0007009300000000, 0.0000000000000000, -0.0027083500000000 ] - [ 0.0046618900000000, -0.0061874800000000, 0.0059355500000000 ] - [ -0.0016793300000000, 0.0000000000000000, -0.0019966400000000 ] - [ -0.0003520000000000, -0.0009534100000000, -0.0058597400000000 ] - [ 0.0011965700000000, 0.0000000000000000, 0.0035042100000000 ] - [ -0.0010115800000000, -0.0006879400000000, -0.0018810100000000 ] - [ 0.0029534500000000, 0.0000000000000000, -0.0021189500000000 ] - [ -0.0003520000000000, 0.0009534100000000, -0.0058597400000000 ] - [ 0.0007724600000000, 0.0000000000000000, 0.0016390500000000 ] - [ 0.0004191200000000, -0.0002053200000000, 0.0013056300000000 ] - [ 0.0018566300000000, 0.0000000000000000, -0.0024133400000000 ] - [ -0.0005321300000000, -0.0002868800000000, 0.0013818700000000 ] - [ -0.0000227500000000, 0.0000000000000000, 0.0017136000000000 ] - [ 0.0004191200000000, 0.0002053200000000, 0.0013056300000000 ] - [ 0.0000058100000000, 0.0000000000000000, 0.0009855900000000 ] - [ 0.0006289600000000, -0.0000928300000000, 0.0003475700000000 ] - [ -0.0001124900000000, 0.0000000000000000, 0.0013397200000000 ] - [ -0.0001109400000000, 0.0000000000000000, 0.0017473500000000 ] - [ 0.0001603200000000, 0.0000306800000000, 0.0012670000000000 ] - [ 0.0001603200000000, -0.0000306800000000, 0.0012670000000000 ] - [ 0.0001040700000000, 0.0001024300000000, 0.0012175800000000 ] - [ -0.0001156700000000, 0.0000000000000000, 0.0018327400000000 ] - [ 0.0000981800000000, -0.0000988400000000, 0.0012109300000000 ] - [ -0.0001500800000000, 0.0000000000000000, 0.0013078100000000 ] - [ -0.0003243500000000, 0.0000000000000000, 0.0011219800000000 ] - [ 0.0003881600000000, -0.0002529900000000, 0.0013673600000000 ] - [ 0.0000494000000000, 0.0000000000000000, 0.0012008600000000 ] - [ 0.0000809000000000, 0.0001033000000000, 0.0011692900000000 ] - [ 0.0006120900000000, 0.0000000000000000, 0.0036820500000000 ] - [ 0.0003881600000000, 0.0002529900000000, 0.0013673600000000 ] - [ -0.0002272400000000, 0.0000000000000000, 0.0010038200000000 ] - [ 0.0000809000000000, -0.0001033000000000, 0.0011692900000000 ] - [ 0.0006464200000000, 0.0000000000000000, 0.0015880800000000 ] - [ 0.0059428300000000, -0.0093828700000000, 0.0099249300000000 ] - [ -0.0001638500000000, 0.0000000000000000, 0.0016780600000000 ] - [ -0.0004424500000000, -0.0000835100000000, 0.0016197400000000 ] - [ 0.0005975400000000, 0.0000000000000000, -0.0038796000000000 ] - [ -0.0009223800000000, -0.0005714700000000, -0.0016666300000000 ] - [ 0.0029167600000000, 0.0000000000000000, -0.0021405500000000 ] - [ 0.0003609600000000, -0.0001629000000000, 0.0002927600000000 ] - [ 0.0005134900000000, 0.0000000000000000, -0.0082418200000000 ] - [ -0.0010115800000000, 0.0006879400000000, -0.0018810100000000 ] - [ 0.0019138300000000, 0.0000000000000000, -0.0018459600000000 ] - [ 0.0004136100000000, -0.0005265200000000, -0.0047203800000000 ] - [ -0.0009030300000000, 0.0000000000000000, 0.0015485900000000 ] - [ 0.0046618900000000, 0.0061874800000000, 0.0059355500000000 ] - [ -0.0091224000000000, 0.0000000000000000, 0.0057981500000000 ] - [ 0.0004136100000000, 0.0005265200000000, -0.0047203800000000 ] - [ -0.0004115700000000, 0.0000000000000000, 0.0002927200000000 ] - [ -0.0000201200000000, -0.0000984500000000, 0.0010499900000000 ] - [ -0.0012119200000000, 0.0000000000000000, -0.0027272600000000 ] - [ 0.0006289600000000, 0.0000928300000000, 0.0003475700000000 ] - [ -0.0001173500000000, 0.0000000000000000, 0.0016746000000000 ] - [ -0.0000201200000000, 0.0000984500000000, 0.0010499900000000 ] - [ -0.0002135100000000, 0.0000000000000000, 0.0013570300000000 ] - [ -0.0005321300000000, 0.0002868800000000, 0.0013818700000000 ] - [ 0.0000013900000000, 0.0000000000000000, 0.0013347300000000 ] - [ 0.0000327900000000, 0.0000000000000000, 0.0012194000000000 ] - [ 0.0001380400000000, 0.0000204500000000, 0.0011518200000000 ] - [ 0.0001380400000000, -0.0000204500000000, 0.0011518200000000 ]- atom: 77 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0000312100000000, 0.0000000000000000, 0.0011489100000000 ] - [ -0.0002185000000000, 0.0000000000000000, 0.0011920300000000 ] - [ -0.0004075500000000, 0.0000000000000000, 0.0014164400000000 ] - [ -0.0001006200000000, 0.0000000000000000, 0.0013235700000000 ] - [ -0.0005514100000000, 0.0000000000000000, -0.0031870700000000 ] - [ 0.0003058100000000, 0.0000000000000000, -0.0000044200000000 ] - [ 0.0001059700000000, 0.0000000000000000, -0.0003556200000000 ] - [ 0.0020202200000000, 0.0000000000000000, -0.0069713400000000 ] - [ -0.0000063400000000, 0.0000000000000000, 0.0012318900000000 ] - [ 0.0007313900000000, 0.0000000000000000, 0.0011204100000000 ] - [ 0.0000153000000000, 0.0000000000000000, 0.0012051000000000 ] - [ -0.0001656800000000, 0.0000000000000000, 0.0011472700000000 ] - [ 0.0008080900000000, 0.0000000000000000, 0.0010167900000000 ] - [ -0.0000031000000000, 0.0000000000000000, 0.0015007500000000 ] - [ -0.0071226100000000, 0.0000000000000000, -0.0164595500000000 ] - [ -0.0004281500000000, 0.0000000000000000, 0.0039215600000000 ] - [ -0.0032393100000000, 0.0000000000000000, 0.0023721900000000 ] - [ -0.0019481000000000, 0.0000000000000000, -0.0047219100000000 ] - [ -0.0000793300000000, 0.0000000000000000, 0.0010733600000000 ] - [ -0.0003853900000000, 0.0000000000000000, 0.0013248400000000 ] - [ -0.0000047900000000, 0.0000000000000000, 0.0018632300000000 ] - [ 0.0001816800000000, 0.0000000000000000, 0.0020331500000000 ] - [ 0.0001258600000000, -0.0000830400000000, 0.0018149800000000 ] - [ -0.0005365700000000, 0.0000000000000000, 0.0020584500000000 ] - [ 0.0001258600000000, 0.0000830400000000, 0.0018149800000000 ] - [ -0.0001523100000000, -0.0004210000000000, 0.0026171300000000 ] - [ 0.0026939500000000, 0.0000000000000000, -0.0056116900000000 ] - [ -0.0052765800000000, 0.0000000000000000, -0.0001408800000000 ] - [ -0.0002438300000000, 0.0002186300000000, 0.0012914700000000 ] - [ -0.0068846000000000, 0.0000000000000000, -0.0890827500000000 ] - [ -0.0001705800000000, 0.0000000000000000, 0.0017770800000000 ] - [ 0.0008406700000000, -0.0001516100000000, -0.0044392800000000 ] - [ 0.0061345600000000, -0.0139416500000000, -0.0238465300000000 ] - [ -0.0017892000000000, 0.0000000000000000, 0.0009253600000000 ] - [ 0.0051619900000000, 0.0005931900000000, 0.0016567700000000 ] - [ 0.0000348800000000, 0.0000000000000000, 0.0027500800000000 ] - [ 0.0051619900000000, -0.0005931900000000, 0.0016567700000000 ] - [ -0.0000696800000000, -0.0000460100000000, 0.0018992000000000 ] - [ 0.0002843500000000, 0.0000010600000000, 0.0017426800000000 ] - [ -0.0003084400000000, 0.0000000000000000, 0.0032471600000000 ] - [ 0.0000116300000000, 0.0000000000000000, 0.0018849500000000 ] - [ 0.0001426700000000, 0.0000000000000000, 0.0021145900000000 ] - [ 0.0001882400000000, -0.0000932900000000, 0.0018757000000000 ] - [ 0.0001004800000000, 0.0000000000000000, 0.0019584100000000 ] - [ 0.0001882400000000, 0.0000932900000000, 0.0018757000000000 ] - [ -0.0002438300000000, -0.0002186300000000, 0.0012914700000000 ] - [ -0.0008557100000000, 0.0000000000000000, -0.0071468100000000 ] - [ 0.0052662700000000, 0.0000000000000000, 0.0008619400000000 ] - [ -0.0001523100000000, 0.0004210000000000, 0.0026171300000000 ] - [ 0.0009540600000000, 0.0000000000000000, -0.0043973700000000 ] - [ -0.0002886600000000, 0.0000000000000000, 0.0020834700000000 ] - [ 0.0061345600000000, 0.0139416500000000, -0.0238465300000000 ] - [ 0.0008406700000000, 0.0001516100000000, -0.0044392800000000 ] - [ 0.0014384400000000, 0.0000000000000000, 0.0002570300000000 ] - [ -0.0022320500000000, 0.0028168600000000, 0.0010366400000000 ] - [ -0.0002113500000000, 0.0000000000000000, 0.0018120900000000 ] - [ -0.0022320500000000, -0.0028168600000000, 0.0010366400000000 ] - [ 0.0002843500000000, -0.0000010600000000, 0.0017426800000000 ] - [ -0.0000696800000000, 0.0000460100000000, 0.0018992000000000 ] - [ 0.0002789300000000, 0.0000000000000000, 0.0011283800000000 ] - [ -0.0001482400000000, 0.0001775000000000, -0.0012293900000000 ] - [ 0.0000109300000000, 0.0000000000000000, -0.0015013800000000 ] - [ -0.0001539600000000, -0.0001738100000000, -0.0012362200000000 ] - [ 0.0001173400000000, 0.0000000000000000, -0.0012796600000000 ] - [ 0.0000306900000000, 0.0000000000000000, -0.0011981100000000 ] - [ 0.0000023900000000, 0.0001175300000000, -0.0010043300000000 ] - [ 0.0001171400000000, 0.0000000000000000, -0.0013956700000000 ] - [ -0.0001598000000000, -0.0000756700000000, -0.0010722400000000 ] - [ 0.0008104800000000, 0.0000000000000000, -0.0014914800000000 ] - [ 0.0000023900000000, -0.0001175300000000, -0.0010043300000000 ] - [ 0.0003469800000000, 0.0000000000000000, -0.0014443900000000 ] - [ -0.0001598000000000, 0.0000756700000000, -0.0010722400000000 ] - [ 0.0005208300000000, 0.0000000000000000, -0.0004350700000000 ] - [ 0.0009070100000000, -0.0006933000000000, 0.0015250100000000 ] - [ -0.0000175300000000, 0.0000000000000000, -0.0012717800000000 ] - [ -0.0003434700000000, 0.0000607700000000, -0.0002633500000000 ] - [ 0.0019372800000000, 0.0000000000000000, 0.1797623200000000 ] - [ -0.0058982200000000, -0.0091425300000000, -0.0099492700000000 ] - [ 0.0113133500000000, 0.0000000000000000, -0.0077945200000000 ] - [ 0.0004550600000000, -0.0003082900000000, -0.0015926500000000 ] - [ -0.0008643900000000, 0.0000000000000000, 0.0027507100000000 ] - [ -0.0047878500000000, 0.0063282600000000, -0.0060968700000000 ] - [ 0.0015307400000000, 0.0000000000000000, 0.0018044200000000 ] - [ 0.0004809300000000, 0.0009389000000000, 0.0061005500000000 ] - [ -0.0009413900000000, 0.0000000000000000, -0.0035840200000000 ] - [ 0.0009667400000000, 0.0006665600000000, 0.0018281000000000 ] - [ -0.0029526800000000, 0.0000000000000000, 0.0022259200000000 ] - [ 0.0004809300000000, -0.0009389000000000, 0.0061005500000000 ] - [ -0.0006949300000000, 0.0000000000000000, -0.0016269200000000 ] - [ -0.0003834800000000, 0.0002425300000000, -0.0013077600000000 ] - [ -0.0018188000000000, 0.0000000000000000, 0.0024794300000000 ] - [ 0.0007574800000000, 0.0004041000000000, -0.0014313500000000 ] - [ -0.0000119100000000, 0.0000000000000000, -0.0014688900000000 ] - [ -0.0003834800000000, -0.0002425300000000, -0.0013077600000000 ] - [ 0.0003198200000000, 0.0000000000000000, -0.0010672100000000 ] - [ -0.0004102900000000, -0.0000209100000000, -0.0003884700000000 ] - [ 0.0000876100000000, 0.0000000000000000, -0.0011207200000000 ] - [ 0.0001512200000000, 0.0000000000000000, -0.0017689600000000 ] - [ -0.0000611700000000, 0.0000211800000000, -0.0012155400000000 ] - [ -0.0000611700000000, -0.0000211800000000, -0.0012155400000000 ] - [ -0.0001539600000000, 0.0001738100000000, -0.0012362200000000 ] - [ -0.0000792200000000, 0.0000000000000000, -0.0015466400000000 ] - [ -0.0001482400000000, -0.0001775000000000, -0.0012293900000000 ] - [ 0.0000960700000000, 0.0000000000000000, -0.0013351100000000 ] - [ 0.0001672200000000, 0.0000000000000000, -0.0012029100000000 ] - [ -0.0005115500000000, 0.0002334200000000, -0.0012801100000000 ] - [ 0.0000947300000000, 0.0000000000000000, -0.0014473000000000 ] - [ -0.0001950900000000, -0.0000971600000000, -0.0011961100000000 ] - [ -0.0009114600000000, 0.0000000000000000, -0.0035115900000000 ] - [ -0.0005115500000000, -0.0002334200000000, -0.0012801100000000 ] - [ 0.0001377200000000, 0.0000000000000000, -0.0009845500000000 ] - [ -0.0001950900000000, 0.0000971600000000, -0.0011961100000000 ] - [ -0.0007096700000000, 0.0000000000000000, -0.0016554600000000 ] - [ -0.0058982200000000, 0.0091425300000000, -0.0099492700000000 ] - [ 0.0001162700000000, 0.0000000000000000, -0.0017887900000000 ] - [ 0.0004550600000000, 0.0003082900000000, -0.0015926500000000 ] - [ -0.0004639100000000, 0.0000000000000000, 0.0039179900000000 ] - [ 0.0009070100000000, 0.0006933000000000, 0.0015250100000000 ] - [ -0.0029412500000000, 0.0000000000000000, 0.0021837400000000 ] - [ -0.0003434700000000, -0.0000607700000000, -0.0002633500000000 ] - [ -0.0006975300000000, 0.0000000000000000, 0.0083138200000000 ] - [ 0.0009667400000000, -0.0006665600000000, 0.0018281000000000 ] - [ -0.0020730700000000, 0.0000000000000000, 0.0016779800000000 ] - [ -0.0003872700000000, 0.0005474100000000, 0.0049358200000000 ] - [ 0.0011722600000000, 0.0000000000000000, -0.0016162200000000 ] - [ -0.0047878500000000, -0.0063282600000000, -0.0060968700000000 ] - [ 0.0092766800000000, 0.0000000000000000, -0.0057960200000000 ] - [ -0.0003872700000000, -0.0005474100000000, 0.0049358200000000 ] - [ 0.0004988000000000, 0.0000000000000000, -0.0002699300000000 ] - [ 0.0000587200000000, 0.0001349600000000, -0.0010506600000000 ] - [ 0.0012699100000000, 0.0000000000000000, 0.0027898900000000 ] - [ -0.0004102900000000, 0.0000209100000000, -0.0003884700000000 ] - [ 0.0000833800000000, 0.0000000000000000, -0.0014296000000000 ] - [ 0.0000587200000000, -0.0001349600000000, -0.0010506600000000 ] - [ 0.0005402000000000, 0.0000000000000000, -0.0014411500000000 ] - [ 0.0007574800000000, -0.0004041000000000, -0.0014313500000000 ] - [ -0.0000272300000000, 0.0000000000000000, -0.0011156200000000 ] - [ 0.0000068600000000, 0.0000000000000000, -0.0012359500000000 ] - [ -0.0000385200000000, 0.0000316100000000, -0.0010997700000000 ] - [ -0.0000385200000000, -0.0000316100000000, -0.0010997700000000 ]- atom: 79 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0000145900000000, 0.0000000000000000, 0.0001073100000000 ] - [ 0.0000528500000000, 0.0000000000000000, 0.0000535800000000 ] - [ 0.0030784200000000, 0.0000000000000000, 0.0001837300000000 ] - [ 0.0000768900000000, 0.0000000000000000, 0.0006799100000000 ] - [ 0.0031360500000000, 0.0000000000000000, -0.0030344300000000 ] - [ -0.0027469600000000, 0.0000000000000000, 0.0033654800000000 ] - [ -0.0000736800000000, 0.0000000000000000, -0.0001446100000000 ] - [ 0.0019971100000000, 0.0000000000000000, -0.0005308200000000 ] - [ 0.0000013100000000, 0.0000000000000000, 0.0001182900000000 ] - [ 0.0002213900000000, 0.0000000000000000, 0.0000849400000000 ] - [ 0.0000405200000000, 0.0000000000000000, 0.0000594500000000 ] - [ -0.0001991900000000, 0.0000000000000000, 0.0002267000000000 ] - [ -0.0016756700000000, 0.0000000000000000, 0.0000863100000000 ] - [ -0.0002354500000000, 0.0000000000000000, -0.0001384200000000 ] - [ -0.0049726500000000, 0.0000000000000000, 0.0018701800000000 ] - [ 0.0181330400000000, 0.0000000000000000, 0.0051796100000000 ] - [ -0.0000877800000000, 0.0000000000000000, 0.0004560700000000 ] - [ -0.0015635400000000, 0.0000000000000000, -0.0002544700000000 ] - [ -0.0000490400000000, 0.0000000000000000, 0.0001167200000000 ] - [ 0.0000339700000000, 0.0000000000000000, 0.0002080000000000 ] - [ -0.0000076500000000, 0.0000000000000000, 0.0002580800000000 ] - [ 0.0001240100000000, 0.0000000000000000, 0.0002750300000000 ] - [ 0.0001276700000000, -0.0001795000000000, 0.0003287600000000 ] - [ 0.0011101400000000, 0.0000000000000000, 0.0000485600000000 ] - [ 0.0001276700000000, 0.0001795000000000, 0.0003287600000000 ] - [ -0.0002264700000000, 0.0003036100000000, -0.0019864100000000 ] - [ 0.0002049400000000, 0.0000000000000000, -0.0040776100000000 ] - [ 0.0789432600000000, 0.0000000000000000, -0.0193901200000000 ] - [ -0.0012064000000000, 0.0022711900000000, 0.0024095500000000 ] - [ 0.0009436300000000, 0.0000000000000000, 0.0044115700000000 ] - [ -0.0004607000000000, 0.0000000000000000, 0.0006007200000000 ] - [ -0.0065526800000000, 0.0000310600000000, -0.0031008800000000 ] - [ 0.0161925200000000, 0.0101349300000000, -0.0083788000000000 ] - [ 0.0047876300000000, 0.0000000000000000, -0.0003441600000000 ] - [ 0.0009598900000000, 0.0000184400000000, -0.0000331900000000 ] - [ 0.0000104300000000, 0.0000000000000000, 0.0003001500000000 ] - [ 0.0009598900000000, -0.0000184400000000, -0.0000331900000000 ] - [ 0.0000028100000000, -0.0000024700000000, 0.0002251200000000 ] - [ 0.0000638500000000, -0.0000122200000000, 0.0001776300000000 ] - [ 0.0001221300000000, 0.0000000000000000, 0.0004220700000000 ] - [ 0.0001107300000000, 0.0000000000000000, 0.0001963600000000 ] - [ 0.0000603700000000, 0.0000000000000000, 0.0002623600000000 ] - [ -0.0000854900000000, -0.0001556600000000, 0.0001321300000000 ] - [ -0.0015134800000000, 0.0000000000000000, 0.0002544400000000 ] - [ -0.0000854900000000, 0.0001556600000000, 0.0001321300000000 ] - [ -0.0012064000000000, -0.0022711900000000, 0.0024095500000000 ] - [ -0.0017061400000000, 0.0000000000000000, 0.0014659800000000 ] - [ -0.0061247200000000, 0.0000000000000000, -0.0037131200000000 ] - [ -0.0002264700000000, -0.0003036100000000, -0.0019864100000000 ] - [ -0.0003057100000000, 0.0000000000000000, -0.0015576400000000 ] - [ 0.0001055100000000, 0.0000000000000000, -0.0002977200000000 ] - [ 0.0161925200000000, -0.0101349300000000, -0.0083788000000000 ] - [ -0.0065526800000000, -0.0000310600000000, -0.0031008800000000 ] - [ -0.0046311400000000, 0.0000000000000000, -0.0000118900000000 ] - [ -0.0005276000000000, 0.0002376600000000, 0.0004069100000000 ] - [ -0.0001019400000000, 0.0000000000000000, 0.0002516600000000 ] - [ -0.0005276000000000, -0.0002376600000000, 0.0004069100000000 ] - [ 0.0000638500000000, 0.0000122200000000, 0.0001776300000000 ] - [ 0.0000028100000000, 0.0000024700000000, 0.0002251200000000 ] - [ -0.0000394500000000, 0.0000000000000000, 0.0000819900000000 ] - [ -0.0000971000000000, 0.0001536100000000, -0.0001694800000000 ] - [ -0.0002771100000000, 0.0000000000000000, -0.0002167600000000 ] - [ 0.0000085300000000, -0.0001366800000000, -0.0001657800000000 ] - [ -0.0000128000000000, 0.0000000000000000, -0.0002341300000000 ] - [ 0.0001641600000000, 0.0000000000000000, -0.0001379300000000 ] - [ -0.0012111500000000, 0.0005694300000000, -0.0008204400000000 ] - [ 0.0000640800000000, 0.0000000000000000, -0.0003399500000000 ] - [ -0.0000872500000000, -0.0000024300000000, -0.0003572900000000 ] - [ 0.0023252100000000, 0.0000000000000000, -0.0094885700000000 ] - [ -0.0012111500000000, -0.0005694300000000, -0.0008204400000000 ] - [ -0.0005516800000000, 0.0000000000000000, 0.0008559100000000 ] - [ -0.0000872500000000, 0.0000024300000000, -0.0003572900000000 ] - [ -0.0015168900000000, 0.0000000000000000, -0.0008211900000000 ] - [ 0.0090863300000000, -0.0065183300000000, 0.0019682200000000 ] - [ 0.0003240000000000, 0.0000000000000000, -0.0006447700000000 ] - [ 0.0019413900000000, -0.0000658100000000, -0.0005286100000000 ] - [ 0.0032283800000000, 0.0000000000000000, -0.0119694300000000 ] - [ 0.0133924800000000, 0.0098863100000000, 0.0013856300000000 ] - [ -0.1619270400000000, 0.0000000000000000, 0.0371472700000000 ] - [ -0.0019752400000000, 0.0012036100000000, 0.0031118600000000 ] - [ 0.0010787900000000, 0.0000000000000000, 0.0017514800000000 ] - [ -0.0010226300000000, 0.0005580800000000, -0.0008255300000000 ] - [ -0.0059459200000000, 0.0000000000000000, 0.0013649200000000 ] - [ -0.0032355300000000, -0.0016107300000000, 0.0025246900000000 ] - [ -0.0000799800000000, 0.0000000000000000, -0.0003894000000000 ] - [ 0.0006056300000000, 0.0001681300000000, 0.0003903200000000 ] - [ -0.0004863100000000, 0.0000000000000000, 0.0007480300000000 ] - [ -0.0032355300000000, 0.0016107300000000, 0.0025246900000000 ] - [ -0.0001529900000000, 0.0000000000000000, -0.0001569900000000 ] - [ -0.0000429500000000, 0.0000416800000000, -0.0001495300000000 ] - [ -0.0002841600000000, 0.0000000000000000, 0.0007984000000000 ] - [ 0.0000970000000000, 0.0000619900000000, -0.0003222200000000 ] - [ -0.0000269200000000, 0.0000000000000000, -0.0000746800000000 ] - [ -0.0000429500000000, -0.0000416800000000, -0.0001495300000000 ] - [ 0.0001999600000000, 0.0000000000000000, -0.0001631300000000 ] - [ 0.0001065800000000, -0.0000614900000000, 0.0000231900000000 ] - [ 0.0000149800000000, 0.0000000000000000, -0.0000587600000000 ] - [ 0.0000228000000000, 0.0000000000000000, -0.0002666300000000 ] - [ 0.0000354400000000, 0.0000244600000000, -0.0001266400000000 ] - [ 0.0000354400000000, -0.0000244600000000, -0.0001266400000000 ] - [ 0.0000085300000000, 0.0001366800000000, -0.0001657800000000 ] - [ 0.0001247700000000, 0.0000000000000000, -0.0000549500000000 ] - [ -0.0000971000000000, -0.0001536100000000, -0.0001694800000000 ] - [ 0.0000017200000000, 0.0000000000000000, -0.0001322100000000 ] - [ -0.0003065400000000, 0.0000000000000000, -0.0002060500000000 ] - [ 0.0007149100000000, -0.0001951100000000, 0.0004914900000000 ] - [ 0.0000916200000000, 0.0000000000000000, -0.0002175800000000 ] - [ -0.0000414800000000, 0.0000148200000000, 0.0000770500000000 ] - [ 0.0009174200000000, 0.0000000000000000, 0.0029056100000000 ] - [ 0.0007149100000000, 0.0001951100000000, 0.0004914900000000 ] - [ 0.0012303200000000, 0.0000000000000000, -0.0014094500000000 ] - [ -0.0000414800000000, -0.0000148200000000, 0.0000770500000000 ] - [ 0.0018225500000000, 0.0000000000000000, 0.0017656000000000 ] - [ 0.0133924800000000, -0.0098863100000000, 0.0013856300000000 ] - [ -0.0003062900000000, 0.0000000000000000, 0.0006767500000000 ] - [ -0.0019752400000000, -0.0012036100000000, 0.0031118600000000 ] - [ 0.0011637000000000, 0.0000000000000000, 0.0027934500000000 ] - [ 0.0090863300000000, 0.0065183300000000, 0.0019682200000000 ] - [ 0.0079963600000000, 0.0000000000000000, -0.0006953000000000 ] - [ 0.0019413900000000, 0.0000658100000000, -0.0005286100000000 ] - [ -0.0010332600000000, 0.0000000000000000, -0.0013003300000000 ] - [ 0.0006056300000000, -0.0001681300000000, 0.0003903200000000 ] - [ 0.0039466500000000, 0.0000000000000000, 0.0001159100000000 ] - [ 0.0023542000000000, -0.0000291100000000, -0.0001860300000000 ] - [ 0.0003705400000000, 0.0000000000000000, -0.0002491600000000 ] - [ -0.0010226300000000, -0.0005580800000000, -0.0008255300000000 ] - [ 0.0012833000000000, 0.0000000000000000, -0.0011799900000000 ] - [ 0.0023542000000000, 0.0000291100000000, -0.0001860300000000 ] - [ 0.0002492900000000, 0.0000000000000000, -0.0000958800000000 ] - [ 0.0000377600000000, 0.0000306300000000, -0.0001520900000000 ] - [ 0.0003650100000000, 0.0000000000000000, -0.0004829900000000 ] - [ 0.0001065800000000, 0.0000614900000000, 0.0000231900000000 ] - [ 0.0000061700000000, 0.0000000000000000, -0.0000894000000000 ] - [ 0.0000377600000000, -0.0000306300000000, -0.0001520900000000 ] - [ 0.0001885900000000, 0.0000000000000000, -0.0002332000000000 ] - [ 0.0000970000000000, -0.0000619900000000, -0.0003222200000000 ] - [ -0.0000259700000000, 0.0000000000000000, -0.0000384000000000 ] - [ 0.0000343400000000, 0.0000000000000000, -0.0001515600000000 ] - [ 0.0000375500000000, 0.0000263200000000, -0.0001270200000000 ] - [ 0.0000375500000000, -0.0000263200000000, -0.0001270200000000 ]- atom: 79 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0000519400000000, 0.0000000000000000, -0.0002647000000000 ] - [ -0.0002088700000000, 0.0000000000000000, -0.0000875500000000 ] - [ -0.0032151900000000, 0.0000000000000000, -0.0001939300000000 ] - [ -0.0002766600000000, 0.0000000000000000, -0.0005963000000000 ] - [ -0.0032036000000000, 0.0000000000000000, 0.0030410400000000 ] - [ 0.0028242700000000, 0.0000000000000000, -0.0033928700000000 ] - [ 0.0001131300000000, 0.0000000000000000, 0.0001823700000000 ] - [ -0.0019812100000000, 0.0000000000000000, 0.0004540400000000 ] - [ -0.0000504600000000, 0.0000000000000000, -0.0001970400000000 ] - [ 0.0000227500000000, 0.0000000000000000, -0.0001309700000000 ] - [ 0.0000262800000000, 0.0000000000000000, -0.0002169700000000 ] - [ 0.0000438500000000, 0.0000000000000000, -0.0002621600000000 ] - [ 0.0015632600000000, 0.0000000000000000, -0.0001090000000000 ] - [ 0.0000399700000000, 0.0000000000000000, 0.0002245500000000 ] - [ 0.0049668400000000, 0.0000000000000000, -0.0018783400000000 ] - [ -0.0170293600000000, 0.0000000000000000, -0.0042871300000000 ] - [ 0.0001345500000000, 0.0000000000000000, -0.0004209500000000 ] - [ 0.0015698400000000, 0.0000000000000000, 0.0001994800000000 ] - [ -0.0000004900000000, 0.0000000000000000, -0.0001950600000000 ] - [ 0.0002111300000000, 0.0000000000000000, -0.0002533600000000 ] - [ 0.0001274000000000, 0.0000000000000000, -0.0002961300000000 ] - [ 0.0000388700000000, 0.0000000000000000, -0.0002898600000000 ] - [ -0.0000912600000000, -0.0001183100000000, -0.0003567700000000 ] - [ -0.0014289800000000, 0.0000000000000000, 0.0000768000000000 ] - [ -0.0000912600000000, 0.0001183100000000, -0.0003567700000000 ] - [ 0.0001747800000000, -0.0001233000000000, 0.0019688000000000 ] - [ -0.0002458200000000, 0.0000000000000000, 0.0041352000000000 ] - [ -0.0838749500000000, 0.0000000000000000, 0.0211835800000000 ] - [ 0.0011370100000000, -0.0024643800000000, -0.0024420700000000 ] - [ -0.0008315700000000, 0.0000000000000000, -0.0045539100000000 ] - [ 0.0001220400000000, 0.0000000000000000, -0.0005962400000000 ] - [ 0.0066195700000000, -0.0001067200000000, 0.0031158300000000 ] - [ -0.0161811200000000, -0.0098221500000000, 0.0081779100000000 ] - [ -0.0049415100000000, 0.0000000000000000, 0.0004465100000000 ] - [ -0.0006878200000000, -0.0000457900000000, -0.0000110600000000 ] - [ -0.0000913000000000, 0.0000000000000000, -0.0003181700000000 ] - [ -0.0006878200000000, 0.0000457900000000, -0.0000110600000000 ] - [ 0.0000476800000000, 0.0000288400000000, -0.0003135000000000 ] - [ -0.0000139600000000, -0.0000141100000000, -0.0002662000000000 ] - [ -0.0000243800000000, 0.0000000000000000, -0.0004484300000000 ] - [ 0.0000086700000000, 0.0000000000000000, -0.0002341700000000 ] - [ 0.0001030100000000, 0.0000000000000000, -0.0002775700000000 ] - [ 0.0001239300000000, -0.0001420400000000, -0.0001598600000000 ] - [ 0.0012064600000000, 0.0000000000000000, -0.0001351400000000 ] - [ 0.0001239300000000, 0.0001420400000000, -0.0001598600000000 ] - [ 0.0011370100000000, 0.0024643800000000, -0.0024420700000000 ] - [ 0.0017250200000000, 0.0000000000000000, -0.0014159400000000 ] - [ 0.0060572600000000, 0.0000000000000000, 0.0037588300000000 ] - [ 0.0001747800000000, 0.0001233000000000, 0.0019688000000000 ] - [ 0.0003975200000000, 0.0000000000000000, 0.0014417600000000 ] - [ -0.0004454700000000, 0.0000000000000000, 0.0003081000000000 ] - [ -0.0161811200000000, 0.0098221500000000, 0.0081779100000000 ] - [ 0.0066195700000000, 0.0001067200000000, 0.0031158300000000 ] - [ 0.0045241400000000, 0.0000000000000000, 0.0000657500000000 ] - [ 0.0008018000000000, -0.0002657700000000, -0.0004436100000000 ] - [ 0.0000202400000000, 0.0000000000000000, -0.0002676100000000 ] - [ 0.0008018000000000, 0.0002657700000000, -0.0004436100000000 ] - [ -0.0000139600000000, 0.0000141100000000, -0.0002662000000000 ] - [ 0.0000476800000000, -0.0000288400000000, -0.0003135000000000 ] - [ 0.0001326800000000, 0.0000000000000000, -0.0001075100000000 ] - [ 0.0000471400000000, 0.0001175600000000, 0.0001611100000000 ] - [ 0.0000786300000000, 0.0000000000000000, 0.0005077900000000 ] - [ -0.0000587900000000, -0.0001347000000000, 0.0001575000000000 ] - [ -0.0000445600000000, 0.0000000000000000, 0.0002157700000000 ] - [ -0.0003160100000000, 0.0000000000000000, 0.0000630800000000 ] - [ 0.0010946800000000, -0.0005949000000000, 0.0009149200000000 ] - [ 0.0000829000000000, 0.0000000000000000, 0.0001040500000000 ] - [ -0.0000261700000000, 0.0000017700000000, 0.0003352600000000 ] - [ -0.0026498100000000, 0.0000000000000000, 0.0097649400000000 ] - [ 0.0010946800000000, 0.0005949000000000, 0.0009149200000000 ] - [ 0.0004581600000000, 0.0000000000000000, -0.0008398400000000 ] - [ -0.0000261700000000, -0.0000017700000000, 0.0003352600000000 ] - [ 0.0014749500000000, 0.0000000000000000, 0.0007593500000000 ] - [ -0.0092194500000000, 0.0065085500000000, -0.0021350700000000 ] - [ -0.0003671100000000, 0.0000000000000000, 0.0005490400000000 ] - [ -0.0019301800000000, 0.0002884500000000, 0.0005689200000000 ] - [ -0.0031259100000000, 0.0000000000000000, 0.0119300000000000 ] - [ -0.0132841000000000, -0.0096397500000000, -0.0015199500000000 ] - [ 0.1656792800000000, 0.0000000000000000, -0.0394369600000000 ] - [ 0.0019744300000000, -0.0014361500000000, -0.0031150300000000 ] - [ -0.0012330400000000, 0.0000000000000000, -0.0017355700000000 ] - [ 0.0009662800000000, -0.0005330000000000, 0.0007618600000000 ] - [ 0.0058137000000000, 0.0000000000000000, -0.0015522300000000 ] - [ 0.0033662800000000, 0.0016032100000000, -0.0022890100000000 ] - [ 0.0003399700000000, 0.0000000000000000, 0.0003309400000000 ] - [ -0.0006581700000000, -0.0001934000000000, -0.0004625700000000 ] - [ 0.0005136300000000, 0.0000000000000000, -0.0006583400000000 ] - [ 0.0033662800000000, -0.0016032100000000, -0.0022890100000000 ] - [ 0.0002381800000000, 0.0000000000000000, 0.0001812100000000 ] - [ 0.0000820900000000, -0.0000093600000000, 0.0001540700000000 ] - [ 0.0003410600000000, 0.0000000000000000, -0.0007509300000000 ] - [ 0.0001233400000000, 0.0000501800000000, 0.0002807500000000 ] - [ -0.0000083700000000, 0.0000000000000000, 0.0003263600000000 ] - [ 0.0000820900000000, 0.0000093600000000, 0.0001540700000000 ] - [ 0.0001223400000000, 0.0000000000000000, 0.0000850700000000 ] - [ 0.0001168200000000, -0.0000509600000000, -0.0000633200000000 ] - [ -0.0000371600000000, 0.0000000000000000, 0.0002847800000000 ] - [ 0.0000169400000000, 0.0000000000000000, 0.0002543400000000 ] - [ 0.0000640800000000, 0.0000259400000000, 0.0001853700000000 ] - [ 0.0000640800000000, -0.0000259400000000, 0.0001853700000000 ] - [ -0.0000587900000000, 0.0001347000000000, 0.0001575000000000 ] - [ -0.0003251200000000, 0.0000000000000000, 0.0003467700000000 ] - [ 0.0000471400000000, -0.0001175600000000, 0.0001611100000000 ] - [ -0.0000595500000000, 0.0000000000000000, 0.0001134900000000 ] - [ 0.0001571000000000, 0.0000000000000000, 0.0001304400000000 ] - [ -0.0008424000000000, 0.0001737700000000, -0.0003998400000000 ] - [ 0.0000549900000000, 0.0000000000000000, -0.0000189200000000 ] - [ -0.0000733600000000, -0.0000156700000000, -0.0001014600000000 ] - [ -0.0012298700000000, 0.0000000000000000, -0.0027340400000000 ] - [ -0.0008424000000000, -0.0001737700000000, -0.0003998400000000 ] - [ -0.0013281100000000, 0.0000000000000000, 0.0014407300000000 ] - [ -0.0000733600000000, 0.0000156700000000, -0.0001014600000000 ] - [ -0.0018918100000000, 0.0000000000000000, -0.0018239800000000 ] - [ -0.0132841000000000, 0.0096397500000000, -0.0015199500000000 ] - [ 0.0002603100000000, 0.0000000000000000, -0.0007822100000000 ] - [ 0.0019744300000000, 0.0014361500000000, -0.0031150300000000 ] - [ -0.0010267000000000, 0.0000000000000000, -0.0027995500000000 ] - [ -0.0092194500000000, -0.0065085500000000, -0.0021350700000000 ] - [ -0.0080357800000000, 0.0000000000000000, 0.0007429900000000 ] - [ -0.0019301800000000, -0.0002884500000000, 0.0005689200000000 ] - [ 0.0008437800000000, 0.0000000000000000, 0.0013507600000000 ] - [ -0.0006581700000000, 0.0001934000000000, -0.0004625700000000 ] - [ -0.0041170800000000, 0.0000000000000000, -0.0002792300000000 ] - [ -0.0022904300000000, 0.0000291900000000, 0.0003813600000000 ] - [ -0.0001101300000000, 0.0000000000000000, 0.0001870600000000 ] - [ 0.0009662800000000, 0.0005330000000000, 0.0007618600000000 ] - [ -0.0012661800000000, 0.0000000000000000, 0.0012606600000000 ] - [ -0.0022904300000000, -0.0000291900000000, 0.0003813600000000 ] - [ -0.0001625000000000, 0.0000000000000000, 0.0001170900000000 ] - [ 0.0000011000000000, 0.0000018700000000, 0.0001558900000000 ] - [ -0.0003155600000000, 0.0000000000000000, 0.0005216400000000 ] - [ 0.0001168200000000, 0.0000509600000000, -0.0000633200000000 ] - [ -0.0000415400000000, 0.0000000000000000, 0.0003409800000000 ] - [ 0.0000011000000000, -0.0000018700000000, 0.0001558900000000 ] - [ 0.0001327400000000, 0.0000000000000000, 0.0001553500000000 ] - [ 0.0001233400000000, -0.0000501800000000, 0.0002807500000000 ] - [ 0.0000037900000000, 0.0000000000000000, 0.0002645500000000 ] - [ 0.0000060200000000, 0.0000000000000000, 0.0001396400000000 ] - [ 0.0000622500000000, 0.0000241900000000, 0.0001857400000000 ] - [ 0.0000622500000000, -0.0000241900000000, 0.0001857400000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000321900000000, -0.0000037500000000, -0.0000763100000000 ] - [ -0.0000756600000000, 0.0000100900000000, -0.0000166000000000 ] - [ -0.0000548100000000, 0.0012321200000000, -0.0000048300000000 ] - [ -0.0000982700000000, 0.0000452200000000, 0.0000442700000000 ] - [ 0.0000087500000000, -0.0038090300000000, -0.0000079100000000 ] - [ 0.0000370000000000, -0.0012833900000000, -0.0000009500000000 ] - [ 0.0000235100000000, -0.0000134000000000, 0.0000198600000000 ] - [ 0.0000003800000000, -0.0023088200000000, -0.0000279200000000 ] - [ -0.0000232500000000, -0.0000013200000000, -0.0000371700000000 ] - [ 0.0001218600000000, -0.0000132300000000, -0.0000209500000000 ] - [ 0.0000322100000000, -0.0000045600000000, -0.0000763300000000 ] - [ -0.0000759200000000, 0.0000051500000000, -0.0000163100000000 ] - [ -0.0000601100000000, -0.0000243900000000, -0.0000088100000000 ] - [ -0.0000990100000000, 0.0000282900000000, 0.0000433000000000 ] - [ -0.0000036700000000, 0.0023496500000000, -0.0000118600000000 ] - [ 0.0000045900000000, 0.0079201400000000, -0.0000373100000000 ] - [ 0.0000223000000000, -0.0000906100000000, 0.0000195100000000 ] - [ 0.0000031400000000, 0.0000876400000000, -0.0000301700000000 ] - [ -0.0000231000000000, -0.0000012100000000, -0.0000371000000000 ] - [ 0.0001223200000000, -0.0000080100000000, -0.0000213700000000 ] - [ 0.0000636300000000, -0.0000020500000000, -0.0000160700000000 ] - [ 0.0000791200000000, -0.0000000100000000, 0.0000002800000000 ] - [ 0.0000103000000000, -0.0001524000000000, -0.0000176200000000 ] - [ -0.0001534600000000, -0.0001740600000000, 0.0000611700000000 ] - [ 0.0000195200000000, 0.0001518100000000, -0.0000075600000000 ] - [ -0.0012115700000000, 0.0001240200000000, -0.0008051400000000 ] - [ -0.0000033700000000, 0.0049339700000000, 0.0000166300000000 ] - [ 0.0001758700000000, 0.0063708300000000, -0.0000549000000000 ] - [ -0.0000032300000000, -0.0000221100000000, -0.0000574900000000 ] - [ 0.0000520800000000, -0.0000054200000000, -0.0000688700000000 ] - [ -0.0001735600000000, -0.0000121000000000, 0.0000041200000000 ] - [ 0.0010513800000000, 0.0001129300000000, 0.0008748900000000 ] - [ 0.0103226000000000, 0.0267401600000000, -0.0193249100000000 ] - [ -0.0000686100000000, -0.0064226500000000, -0.0000142600000000 ] - [ 0.0002296900000000, -0.0000231500000000, 0.0001795800000000 ] - [ -0.0000359800000000, 0.0000011600000000, -0.0000052200000000 ] - [ 0.0000390200000000, 0.0000077300000000, -0.0002127500000000 ] - [ 0.0000235100000000, 0.0000103600000000, -0.0000401400000000 ] - [ 0.0000223900000000, -0.0000103200000000, -0.0000428600000000 ] - [ 0.0000430200000000, 0.0000262500000000, -0.0000161600000000 ] - [ 0.0000638500000000, -0.0000012900000000, -0.0000159600000000 ] - [ 0.0000790300000000, 0.0000011600000000, -0.0000003600000000 ] - [ 0.0000049000000000, -0.0001526400000000, -0.0000204300000000 ] - [ -0.0001561500000000, -0.0000098400000000, 0.0000617000000000 ] - [ 0.0000248500000000, 0.0001510500000000, -0.0000048100000000 ] - [ -0.0000664500000000, 0.0001430700000000, 0.0000410200000000 ] - [ -0.0000038800000000, -0.0003215900000000, 0.0000192900000000 ] - [ -0.0000447800000000, -0.0058220900000000, 0.0000309500000000 ] - [ 0.0011397700000000, -0.0000562500000000, 0.0007843000000000 ] - [ 0.0000568900000000, -0.0002316500000000, -0.0000605800000000 ] - [ -0.0001729700000000, -0.0000667300000000, 0.0000026000000000 ] - [ -0.0095440400000000, 0.0254346100000000, 0.0180636700000000 ] - [ -0.0010072200000000, 0.0001970600000000, -0.0009029500000000 ] - [ -0.0000697700000000, 0.0004226100000000, 0.0000283500000000 ] - [ 0.0001438100000000, -0.0000171500000000, -0.0000295300000000 ] - [ -0.0000357900000000, -0.0000004200000000, -0.0000050100000000 ] - [ 0.0001291800000000, 0.0000140500000000, -0.0000075200000000 ] - [ 0.0000241600000000, 0.0000099900000000, -0.0000393600000000 ] - [ 0.0000230100000000, -0.0000102800000000, -0.0000419300000000 ] - [ 0.0000429000000000, 0.0000309900000000, -0.0000156300000000 ] - [ -0.0000233400000000, 0.0001302900000000, -0.0000017200000000 ] - [ -0.0001035800000000, -0.0000045000000000, 0.0001390000000000 ] - [ -0.0000251300000000, -0.0001317200000000, 0.0000001000000000 ] - [ -0.0000334200000000, 0.0000011300000000, -0.0000068000000000 ] - [ -0.0000741100000000, -0.0000068100000000, -0.0000368800000000 ] - [ 0.0001527500000000, -0.0000530200000000, -0.0000562300000000 ] - [ 0.0000774000000000, -0.0000024500000000, -0.0001185500000000 ] - [ -0.0000470000000000, -0.0000016000000000, -0.0000242300000000 ] - [ -0.0001399500000000, -0.0014957300000000, 0.0000584700000000 ] - [ -0.0002836700000000, -0.0000382600000000, 0.0001421000000000 ] - [ -0.0000452400000000, 0.0005999500000000, 0.0000107700000000 ] - [ -0.0000594900000000, 0.0000022100000000, -0.0000007600000000 ] - [ -0.0000358600000000, 0.0004104600000000, -0.0000255000000000 ] - [ -0.0042184200000000, 0.0020288500000000, -0.0006699600000000 ] - [ -0.0000224300000000, 0.0000213900000000, -0.0000471800000000 ] - [ -0.0000351800000000, 0.0000939800000000, 0.0002349300000000 ] - [ 0.0000608100000000, -0.0052468400000000, 0.0000266000000000 ] - [ 0.0096801600000000, 0.0036740600000000, 0.0010866800000000 ] - [ -0.0009437800000000, -0.0936629200000000, 0.0014033800000000 ] - [ 0.0017631500000000, 0.0016336100000000, 0.0047982800000000 ] - [ -0.0000897300000000, -0.0007678500000000, 0.0000190600000000 ] - [ 0.0002289000000000, -0.0000170500000000, -0.0002789500000000 ] - [ -0.0000937800000000, 0.0229196100000000, -0.0000712900000000 ] - [ -0.0033959500000000, 0.0021010400000000, -0.0058613700000000 ] - [ 0.0001317400000000, 0.0000060400000000, -0.0000290500000000 ] - [ -0.0000090100000000, -0.0000010800000000, -0.0000481200000000 ] - [ 0.0000142300000000, 0.0006017700000000, 0.0000385400000000 ] - [ 0.0034303900000000, 0.0020958600000000, 0.0060068400000000 ] - [ 0.0000379900000000, -0.0000117600000000, 0.0000095300000000 ] - [ 0.0000207600000000, 0.0000210400000000, -0.0000041200000000 ] - [ 0.0000243300000000, -0.0004431200000000, 0.0000109400000000 ] - [ 0.0001304500000000, 0.0000634800000000, -0.0000392600000000 ] - [ -0.0000147400000000, -0.0000000900000000, 0.0001254100000000 ] - [ 0.0000183700000000, -0.0000207400000000, 0.0000003100000000 ] - [ 0.0001612400000000, 0.0000044800000000, -0.0000406300000000 ] - [ 0.0001383100000000, -0.0000680600000000, 0.0000186000000000 ] - [ -0.0000103200000000, -0.0000004900000000, 0.0001124800000000 ] - [ 0.0000164900000000, -0.0000014100000000, -0.0000126100000000 ] - [ 0.0000481300000000, 0.0000279600000000, 0.0000304200000000 ] - [ 0.0000479000000000, -0.0000283300000000, 0.0000307100000000 ] - [ -0.0000241900000000, 0.0001310600000000, -0.0000024300000000 ] - [ -0.0001027300000000, 0.0000055400000000, 0.0001392700000000 ] - [ -0.0000265500000000, -0.0001315500000000, -0.0000003500000000 ] - [ -0.0000330400000000, 0.0000038800000000, -0.0000066600000000 ] - [ -0.0000747300000000, 0.0000048700000000, -0.0000367900000000 ] - [ -0.0001057800000000, 0.0000027000000000, 0.0000162700000000 ] - [ 0.0000777200000000, -0.0000069900000000, -0.0001181900000000 ] - [ -0.0000714300000000, -0.0000095700000000, -0.0000429400000000 ] - [ -0.0001496100000000, 0.0009603000000000, 0.0000804800000000 ] - [ -0.0000200600000000, 0.0000200000000000, 0.0000708800000000 ] - [ -0.0000426200000000, 0.0000211900000000, 0.0000070600000000 ] - [ -0.0000347200000000, -0.0000060400000000, 0.0000188200000000 ] - [ -0.0000293500000000, -0.0008381200000000, -0.0000318000000000 ] - [ -0.0096281700000000, 0.0035851700000000, -0.0012116800000000 ] - [ -0.0000216300000000, -0.0006585700000000, -0.0000449500000000 ] - [ -0.0017330700000000, 0.0018772700000000, -0.0047355500000000 ] - [ 0.0000632100000000, 0.0009737700000000, 0.0000180600000000 ] - [ 0.0041772700000000, 0.0021567000000000, 0.0005360900000000 ] - [ -0.0000129200000000, 0.0014326800000000, 0.0000261300000000 ] - [ 0.0000551100000000, -0.0001281600000000, -0.0002011700000000 ] - [ -0.0000929300000000, 0.0018545700000000, 0.0000297200000000 ] - [ -0.0000495900000000, 0.0000341400000000, -0.0000245400000000 ] - [ -0.0000780900000000, -0.0010959300000000, -0.0000808800000000 ] - [ -0.0001547500000000, -0.0000391600000000, 0.0004888100000000 ] - [ 0.0001310600000000, -0.0000055000000000, -0.0000290100000000 ] - [ -0.0002833700000000, -0.0000506600000000, 0.0002076800000000 ] - [ 0.0000125600000000, 0.0000217400000000, 0.0000416100000000 ] - [ 0.0002292100000000, -0.0000490500000000, -0.0002835400000000 ] - [ 0.0000379100000000, 0.0000024400000000, 0.0000095400000000 ] - [ 0.0000206900000000, 0.0000209800000000, -0.0000030900000000 ] - [ 0.0000253500000000, 0.0000188100000000, 0.0000145700000000 ] - [ 0.0000879000000000, 0.0000598200000000, -0.0000602800000000 ] - [ -0.0000145800000000, 0.0000001400000000, 0.0001255500000000 ] - [ 0.0000180700000000, -0.0000212500000000, -0.0000004000000000 ] - [ 0.0001614400000000, 0.0000013500000000, -0.0000405100000000 ] - [ 0.0000974900000000, -0.0000629100000000, -0.0000021000000000 ] - [ -0.0000105500000000, -0.0000003500000000, 0.0001126500000000 ] - [ 0.0000159800000000, -0.0000045900000000, -0.0000129200000000 ] - [ 0.0000479700000000, 0.0000281700000000, 0.0000303800000000 ] - [ 0.0000480500000000, -0.0000284500000000, 0.0000307300000000 ]- atom: 79 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0000663500000000, 0.0000000000000000, -0.0009651400000000 ] - [ -0.0000321100000000, 0.0000000000000000, -0.0009144400000000 ] - [ 0.0001721400000000, 0.0000000000000000, -0.0032444000000000 ] - [ 0.0000797600000000, 0.0000000000000000, -0.0010865500000000 ] - [ -0.0021570400000000, 0.0000000000000000, 0.0047412300000000 ] - [ 0.0003783500000000, 0.0000000000000000, 0.0024125900000000 ] - [ -0.0004645200000000, 0.0000000000000000, -0.0006032500000000 ] - [ 0.0019411100000000, 0.0000000000000000, -0.0020967800000000 ] - [ -0.0000285800000000, 0.0000000000000000, -0.0009042400000000 ] - [ 0.0000418000000000, 0.0000000000000000, -0.0010535700000000 ] - [ 0.0000589700000000, 0.0000000000000000, -0.0009702700000000 ] - [ 0.0000380200000000, 0.0000000000000000, -0.0008305700000000 ] - [ -0.0001996400000000, 0.0000000000000000, 0.0001271300000000 ] - [ -0.0005825200000000, 0.0000000000000000, -0.0008260200000000 ] - [ 0.0018190900000000, 0.0000000000000000, 0.0036199900000000 ] - [ 0.0059451600000000, 0.0000000000000000, 0.0148585700000000 ] - [ 0.0005370500000000, 0.0000000000000000, -0.0009289900000000 ] - [ 0.0001565100000000, 0.0000000000000000, 0.0002334800000000 ] - [ -0.0000553800000000, 0.0000000000000000, -0.0008666400000000 ] - [ 0.0001657700000000, 0.0000000000000000, -0.0009400900000000 ] - [ 0.0001307100000000, 0.0000000000000000, -0.0013333800000000 ] - [ 0.0000307900000000, 0.0000000000000000, -0.0015126400000000 ] - [ 0.0000180900000000, -0.0001713200000000, -0.0013980500000000 ] - [ 0.0002592400000000, 0.0000000000000000, -0.0018906400000000 ] - [ 0.0000180900000000, 0.0001713200000000, -0.0013980500000000 ] - [ -0.0031034500000000, 0.0002105000000000, -0.0010048200000000 ] - [ -0.0056020500000000, 0.0000000000000000, -0.0034479500000000 ] - [ -0.0061896500000000, 0.0000000000000000, 0.0119872000000000 ] - [ 0.0017414800000000, -0.0018025400000000, -0.0008560000000000 ] - [ 0.0006503700000000, 0.0000000000000000, -0.0042836000000000 ] - [ 0.0000393400000000, 0.0000000000000000, -0.0010367300000000 ] - [ -0.0002064000000000, 0.0000646500000000, 0.0034010200000000 ] - [ -0.0063609200000000, -0.0178082400000000, 0.0263921100000000 ] - [ 0.0023469100000000, 0.0000000000000000, 0.0042351800000000 ] - [ -0.0000500900000000, 0.0000253500000000, -0.0018845900000000 ] - [ 0.0000269600000000, 0.0000000000000000, -0.0015550400000000 ] - [ -0.0000500900000000, -0.0000253500000000, -0.0018845900000000 ] - [ 0.0000221300000000, 0.0000728100000000, -0.0013548500000000 ] - [ -0.0000375800000000, -0.0000777500000000, -0.0013887400000000 ] - [ 0.0002937800000000, 0.0000000000000000, -0.0015007100000000 ] - [ 0.0000745800000000, 0.0000000000000000, -0.0013826500000000 ] - [ 0.0000158700000000, 0.0000000000000000, -0.0014705000000000 ] - [ -0.0001933800000000, -0.0001848400000000, -0.0012667500000000 ] - [ 0.0000873900000000, 0.0000000000000000, -0.0008653200000000 ] - [ -0.0001933800000000, 0.0001848400000000, -0.0012667500000000 ] - [ 0.0017414800000000, 0.0018025400000000, -0.0008560000000000 ] - [ 0.0013194000000000, 0.0000000000000000, 0.0006018900000000 ] - [ -0.0005737100000000, 0.0000000000000000, 0.0033647600000000 ] - [ -0.0031034500000000, -0.0002105000000000, -0.0010048200000000 ] - [ -0.0013130300000000, 0.0000000000000000, 0.0000205100000000 ] - [ -0.0002534700000000, 0.0000000000000000, -0.0016768100000000 ] - [ -0.0063609200000000, 0.0178082400000000, 0.0263921100000000 ] - [ -0.0002064000000000, -0.0000646500000000, 0.0034010200000000 ] - [ -0.0002808900000000, 0.0000000000000000, 0.0029299900000000 ] - [ 0.0003833600000000, -0.0002691500000000, -0.0009578400000000 ] - [ -0.0000407700000000, 0.0000000000000000, -0.0013106100000000 ] - [ 0.0003833600000000, 0.0002691500000000, -0.0009578400000000 ] - [ -0.0000375800000000, 0.0000777500000000, -0.0013887400000000 ] - [ 0.0000221300000000, -0.0000728100000000, -0.0013548500000000 ] - [ -0.0001803600000000, 0.0000000000000000, -0.0013382800000000 ] - [ 0.0000777800000000, 0.0001003900000000, 0.0009030200000000 ] - [ -0.0001769200000000, 0.0000000000000000, 0.0015081600000000 ] - [ 0.0000463400000000, -0.0001127700000000, 0.0008287700000000 ] - [ -0.0001601200000000, 0.0000000000000000, 0.0009236100000000 ] - [ -0.0001236000000000, 0.0000000000000000, 0.0006181300000000 ] - [ -0.0002785300000000, -0.0003542300000000, 0.0012190300000000 ] - [ 0.0000176400000000, 0.0000000000000000, 0.0008046500000000 ] - [ -0.0000992500000000, 0.0000088200000000, 0.0007417500000000 ] - [ -0.0052453200000000, 0.0000000000000000, 0.0052864400000000 ] - [ -0.0002785300000000, 0.0003542300000000, 0.0012190300000000 ] - [ 0.0005681400000000, 0.0000000000000000, 0.0015845600000000 ] - [ -0.0000992500000000, -0.0000088200000000, 0.0007417500000000 ] - [ -0.0010263900000000, 0.0000000000000000, -0.0010943800000000 ] - [ -0.0004101600000000, 0.0002921400000000, -0.0037598100000000 ] - [ -0.0003253100000000, 0.0000000000000000, 0.0002965000000000 ] - [ -0.0006126700000000, 0.0002576800000000, -0.0011504600000000 ] - [ -0.0078515700000000, 0.0000000000000000, 0.0073238900000000 ] - [ 0.0003377800000000, 0.0009374100000000, -0.0058443300000000 ] - [ 0.0135805800000000, 0.0000000000000000, -0.0898465100000000 ] - [ 0.0034659500000000, 0.0049783900000000, 0.0064534900000000 ] - [ 0.0018065800000000, 0.0000000000000000, -0.0014981400000000 ] - [ -0.0001578600000000, -0.0003639200000000, 0.0013312400000000 ] - [ 0.0004652900000000, 0.0000000000000000, -0.0083603400000000 ] - [ 0.0036224600000000, -0.0043563000000000, 0.0049205500000000 ] - [ 0.0000646500000000, 0.0000000000000000, 0.0013765800000000 ] - [ 0.0001399600000000, -0.0000493300000000, 0.0000529600000000 ] - [ 0.0007677800000000, 0.0000000000000000, 0.0015861000000000 ] - [ 0.0036224600000000, 0.0043563000000000, 0.0049205500000000 ] - [ -0.0001523600000000, 0.0000000000000000, 0.0010213600000000 ] - [ 0.0001426900000000, -0.0000806300000000, 0.0008603000000000 ] - [ 0.0005111800000000, 0.0000000000000000, 0.0016809500000000 ] - [ 0.0000178600000000, 0.0000719500000000, 0.0007377100000000 ] - [ -0.0000473000000000, 0.0000000000000000, 0.0012469000000000 ] - [ 0.0001426900000000, 0.0000806300000000, 0.0008603000000000 ] - [ 0.0000614000000000, 0.0000000000000000, 0.0007983800000000 ] - [ 0.0004294500000000, -0.0001592500000000, 0.0008708000000000 ] - [ -0.0000596200000000, 0.0000000000000000, 0.0009726900000000 ] - [ -0.0000644400000000, 0.0000000000000000, 0.0011402300000000 ] - [ 0.0001220600000000, 0.0000288500000000, 0.0008761300000000 ] - [ 0.0001220600000000, -0.0000288500000000, 0.0008761300000000 ] - [ 0.0000463400000000, 0.0001127700000000, 0.0008287700000000 ] - [ -0.0001577400000000, 0.0000000000000000, 0.0011666900000000 ] - [ 0.0000777800000000, -0.0001003900000000, 0.0009030200000000 ] - [ -0.0000867600000000, 0.0000000000000000, 0.0009122300000000 ] - [ -0.0002619200000000, 0.0000000000000000, 0.0009008300000000 ] - [ 0.0002230600000000, 0.0000196300000000, 0.0003093900000000 ] - [ 0.0000889200000000, 0.0000000000000000, 0.0008095200000000 ] - [ 0.0001889300000000, 0.0000805900000000, 0.0008694600000000 ] - [ 0.0012085000000000, 0.0000000000000000, -0.0018693700000000 ] - [ 0.0002230600000000, -0.0000196300000000, 0.0003093900000000 ] - [ -0.0010747800000000, 0.0000000000000000, 0.0010354100000000 ] - [ 0.0001889300000000, -0.0000805900000000, 0.0008694600000000 ] - [ 0.0020281400000000, 0.0000000000000000, -0.0009326900000000 ] - [ 0.0003377800000000, -0.0009374100000000, -0.0058443300000000 ] - [ 0.0004489500000000, 0.0000000000000000, 0.0015969000000000 ] - [ 0.0034659500000000, -0.0049783900000000, 0.0064534900000000 ] - [ 0.0014168600000000, 0.0000000000000000, -0.0019147400000000 ] - [ -0.0004101600000000, -0.0002921400000000, -0.0037598100000000 ] - [ 0.0004216900000000, 0.0000000000000000, -0.0018166000000000 ] - [ -0.0006126700000000, -0.0002576800000000, -0.0011504600000000 ] - [ -0.0015401400000000, 0.0000000000000000, -0.0007425200000000 ] - [ 0.0001399600000000, 0.0000493300000000, 0.0000529600000000 ] - [ 0.0000426100000000, 0.0000000000000000, -0.0027004700000000 ] - [ -0.0007866300000000, 0.0001886500000000, -0.0011541400000000 ] - [ 0.0000317200000000, 0.0000000000000000, 0.0009539600000000 ] - [ -0.0001578600000000, 0.0003639200000000, 0.0013312400000000 ] - [ -0.0012191900000000, 0.0000000000000000, 0.0010955100000000 ] - [ -0.0007866300000000, -0.0001886500000000, -0.0011541400000000 ] - [ -0.0000320300000000, 0.0000000000000000, 0.0006150400000000 ] - [ 0.0000957700000000, -0.0000618600000000, 0.0007647100000000 ] - [ -0.0003266100000000, 0.0000000000000000, 0.0002837700000000 ] - [ 0.0004294500000000, 0.0001592500000000, 0.0008708000000000 ] - [ -0.0000673100000000, 0.0000000000000000, 0.0012034900000000 ] - [ 0.0000957700000000, 0.0000618600000000, 0.0007647100000000 ] - [ -0.0000356700000000, 0.0000000000000000, 0.0008146200000000 ] - [ 0.0000178600000000, -0.0000719500000000, 0.0007377100000000 ] - [ -0.0000363500000000, 0.0000000000000000, 0.0010047700000000 ] - [ 0.0000071100000000, 0.0000000000000000, 0.0011379200000000 ] - [ 0.0001277900000000, 0.0000304300000000, 0.0008775600000000 ] - [ 0.0001277900000000, -0.0000304300000000, 0.0008775600000000 ]- atom: 79 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0000043800000000, 0.0000000000000000, 0.0008052100000000 ] - [ -0.0001218200000000, 0.0000000000000000, 0.0008816800000000 ] - [ -0.0002759300000000, 0.0000000000000000, 0.0032067700000000 ] - [ -0.0002810800000000, 0.0000000000000000, 0.0011847300000000 ] - [ 0.0021522700000000, 0.0000000000000000, -0.0048114200000000 ] - [ -0.0003080300000000, 0.0000000000000000, -0.0023855300000000 ] - [ 0.0005062700000000, 0.0000000000000000, 0.0006449100000000 ] - [ -0.0019480000000000, 0.0000000000000000, 0.0020406400000000 ] - [ -0.0000239500000000, 0.0000000000000000, 0.0008235200000000 ] - [ 0.0002027200000000, 0.0000000000000000, 0.0010055400000000 ] - [ 0.0000120000000000, 0.0000000000000000, 0.0008104600000000 ] - [ -0.0001925400000000, 0.0000000000000000, 0.0007990100000000 ] - [ 0.0000885500000000, 0.0000000000000000, -0.0001390200000000 ] - [ 0.0003774500000000, 0.0000000000000000, 0.0009230400000000 ] - [ -0.0018294600000000, 0.0000000000000000, -0.0036732500000000 ] - [ -0.0049550400000000, 0.0000000000000000, -0.0142842300000000 ] - [ -0.0004977000000000, 0.0000000000000000, 0.0009703800000000 ] - [ -0.0001526600000000, 0.0000000000000000, -0.0002983000000000 ] - [ 0.0000021100000000, 0.0000000000000000, 0.0007853200000000 ] - [ 0.0000770100000000, 0.0000000000000000, 0.0008927400000000 ] - [ 0.0000085100000000, 0.0000000000000000, 0.0012945600000000 ] - [ 0.0001234200000000, 0.0000000000000000, 0.0014726900000000 ] - [ 0.0000222300000000, -0.0001133200000000, 0.0013822900000000 ] - [ -0.0005604900000000, 0.0000000000000000, 0.0020198100000000 ] - [ 0.0000222300000000, 0.0001133200000000, 0.0013822900000000 ] - [ 0.0030149100000000, -0.0000313300000000, 0.0009883000000000 ] - [ 0.0056351300000000, 0.0000000000000000, 0.0035169600000000 ] - [ 0.0063819500000000, 0.0000000000000000, -0.0120993400000000 ] - [ -0.0018079100000000, 0.0016233900000000, 0.0008430700000000 ] - [ -0.0005435100000000, 0.0000000000000000, 0.0041746200000000 ] - [ -0.0003879800000000, 0.0000000000000000, 0.0010504000000000 ] - [ 0.0002413200000000, -0.0001542700000000, -0.0034490000000000 ] - [ 0.0068093700000000, 0.0185916300000000, -0.0267449900000000 ] - [ -0.0024684700000000, 0.0000000000000000, -0.0041416200000000 ] - [ 0.0003238800000000, -0.0000507000000000, 0.0018554300000000 ] - [ -0.0001038200000000, 0.0000000000000000, 0.0015430500000000 ] - [ 0.0003238800000000, 0.0000507000000000, 0.0018554300000000 ] - [ 0.0000301300000000, -0.0000338800000000, 0.0012649300000000 ] - [ 0.0000909100000000, 0.0000382400000000, 0.0012985100000000 ] - [ -0.0002043200000000, 0.0000000000000000, 0.0014747100000000 ] - [ 0.0000654600000000, 0.0000000000000000, 0.0013434400000000 ] - [ 0.0001376700000000, 0.0000000000000000, 0.0014304800000000 ] - [ 0.0002326200000000, -0.0000997500000000, 0.0012514900000000 ] - [ -0.0003938800000000, 0.0000000000000000, 0.0010000700000000 ] - [ 0.0002326200000000, 0.0000997500000000, 0.0012514900000000 ] - [ -0.0018079100000000, -0.0016233900000000, 0.0008430700000000 ] - [ -0.0013276400000000, 0.0000000000000000, -0.0005716100000000 ] - [ 0.0004949000000000, 0.0000000000000000, -0.0032808100000000 ] - [ 0.0030149100000000, 0.0000313300000000, 0.0009883000000000 ] - [ 0.0014298300000000, 0.0000000000000000, -0.0001458200000000 ] - [ -0.0000959100000000, 0.0000000000000000, 0.0016850600000000 ] - [ 0.0068093700000000, -0.0185916300000000, -0.0267449900000000 ] - [ 0.0002413200000000, 0.0001542700000000, -0.0034490000000000 ] - [ 0.0001410000000000, 0.0000000000000000, -0.0028587000000000 ] - [ -0.0001119400000000, 0.0002443400000000, 0.0009249800000000 ] - [ -0.0000358800000000, 0.0000000000000000, 0.0012974400000000 ] - [ -0.0001119400000000, -0.0002443400000000, 0.0009249800000000 ] - [ 0.0000909100000000, -0.0000382400000000, 0.0012985100000000 ] - [ 0.0000301300000000, 0.0000338800000000, 0.0012649300000000 ] - [ 0.0002722400000000, 0.0000000000000000, 0.0013123000000000 ] - [ -0.0001237600000000, 0.0001839700000000, -0.0009250100000000 ] - [ -0.0000144500000000, 0.0000000000000000, -0.0012236800000000 ] - [ -0.0000917700000000, -0.0001716900000000, -0.0008508900000000 ] - [ 0.0001068800000000, 0.0000000000000000, -0.0009501000000000 ] - [ -0.0000531000000000, 0.0000000000000000, -0.0007055200000000 ] - [ 0.0001550500000000, 0.0003303000000000, -0.0011275200000000 ] - [ 0.0001210200000000, 0.0000000000000000, -0.0010505000000000 ] - [ -0.0000187200000000, 0.0000086400000000, -0.0007691600000000 ] - [ 0.0049037900000000, 0.0000000000000000, -0.0051062400000000 ] - [ 0.0001550500000000, -0.0003303000000000, -0.0011275200000000 ] - [ -0.0006524300000000, 0.0000000000000000, -0.0015507600000000 ] - [ -0.0000187200000000, -0.0000086400000000, -0.0007691600000000 ] - [ 0.0009471300000000, 0.0000000000000000, 0.0010171200000000 ] - [ 0.0004309600000000, -0.0004481000000000, 0.0036367400000000 ] - [ 0.0002667000000000, 0.0000000000000000, -0.0004228000000000 ] - [ 0.0006237600000000, -0.0000351400000000, 0.0011721300000000 ] - [ 0.0081072100000000, 0.0000000000000000, -0.0073981000000000 ] - [ -0.0003830400000000, -0.0008259400000000, 0.0057109900000000 ] - [ -0.0157220400000000, 0.0000000000000000, 0.0901675200000000 ] - [ -0.0034130100000000, -0.0051419500000000, -0.0063458500000000 ] - [ -0.0019809500000000, 0.0000000000000000, 0.0015403200000000 ] - [ 0.0001124000000000, 0.0003851600000000, -0.0013981900000000 ] - [ -0.0006358300000000, 0.0000000000000000, 0.0081954200000000 ] - [ -0.0035987000000000, 0.0044130400000000, -0.0047780100000000 ] - [ 0.0002017800000000, 0.0000000000000000, -0.0014320300000000 ] - [ -0.0001876900000000, 0.0000290500000000, -0.0001148600000000 ] - [ -0.0007525700000000, 0.0000000000000000, -0.0015052300000000 ] - [ -0.0035987000000000, -0.0044130400000000, -0.0047780100000000 ] - [ 0.0002424500000000, 0.0000000000000000, -0.0010079800000000 ] - [ -0.0000998100000000, 0.0001102400000000, -0.0008510200000000 ] - [ -0.0004645600000000, 0.0000000000000000, -0.0016431200000000 ] - [ 0.0001966400000000, 0.0000294600000000, -0.0007868000000000 ] - [ 0.0000195300000000, 0.0000000000000000, -0.0009775500000000 ] - [ -0.0000998100000000, -0.0001102400000000, -0.0008510200000000 ] - [ 0.0002652700000000, 0.0000000000000000, -0.0008704900000000 ] - [ -0.0002174300000000, 0.0000619300000000, -0.0009213400000000 ] - [ 0.0000151000000000, 0.0000000000000000, -0.0007353300000000 ] - [ 0.0001091900000000, 0.0000000000000000, -0.0011517300000000 ] - [ -0.0000103900000000, 0.0000329700000000, -0.0008115800000000 ] - [ -0.0000103900000000, -0.0000329700000000, -0.0008115800000000 ] - [ -0.0000917700000000, 0.0001716900000000, -0.0008508900000000 ] - [ -0.0000331600000000, 0.0000000000000000, -0.0008839700000000 ] - [ -0.0001237600000000, -0.0001839700000000, -0.0009250100000000 ] - [ 0.0000341000000000, 0.0000000000000000, -0.0009389500000000 ] - [ 0.0000844400000000, 0.0000000000000000, -0.0009868600000000 ] - [ -0.0003418700000000, -0.0000428800000000, -0.0002214500000000 ] - [ 0.0000506500000000, 0.0000000000000000, -0.0010552300000000 ] - [ -0.0003054000000000, -0.0000633800000000, -0.0008957600000000 ] - [ -0.0014970700000000, 0.0000000000000000, 0.0020061600000000 ] - [ -0.0003418700000000, 0.0000428800000000, -0.0002214500000000 ] - [ 0.0009835800000000, 0.0000000000000000, -0.0010098100000000 ] - [ -0.0003054000000000, 0.0000633800000000, -0.0008957600000000 ] - [ -0.0020873300000000, 0.0000000000000000, 0.0008549700000000 ] - [ -0.0003830400000000, 0.0008259400000000, 0.0057109900000000 ] - [ -0.0005047500000000, 0.0000000000000000, -0.0017128800000000 ] - [ -0.0034130100000000, 0.0051419500000000, -0.0063458500000000 ] - [ -0.0012907700000000, 0.0000000000000000, 0.0019558400000000 ] - [ 0.0004309600000000, 0.0004481000000000, 0.0036367400000000 ] - [ -0.0004559800000000, 0.0000000000000000, 0.0018751100000000 ] - [ 0.0006237600000000, 0.0000351400000000, 0.0011721300000000 ] - [ 0.0013641800000000, 0.0000000000000000, 0.0008006600000000 ] - [ -0.0001876900000000, -0.0000290500000000, -0.0001148600000000 ] - [ -0.0002069300000000, 0.0000000000000000, 0.0025401300000000 ] - [ 0.0008556000000000, -0.0001947400000000, 0.0013626400000000 ] - [ 0.0002339700000000, 0.0000000000000000, -0.0010074500000000 ] - [ 0.0001124000000000, -0.0003851600000000, -0.0013981900000000 ] - [ 0.0012423400000000, 0.0000000000000000, -0.0010138500000000 ] - [ 0.0008556000000000, 0.0001947400000000, 0.0013626400000000 ] - [ 0.0001240300000000, 0.0000000000000000, -0.0005993900000000 ] - [ -0.0000531500000000, 0.0000911100000000, -0.0007552100000000 ] - [ 0.0003739200000000, 0.0000000000000000, -0.0002412700000000 ] - [ -0.0002174300000000, -0.0000619300000000, -0.0009213400000000 ] - [ 0.0000388800000000, 0.0000000000000000, -0.0009347200000000 ] - [ -0.0000531500000000, -0.0000911100000000, -0.0007552100000000 ] - [ 0.0003628700000000, 0.0000000000000000, -0.0008872400000000 ] - [ 0.0001966400000000, -0.0000294600000000, -0.0007868000000000 ] - [ -0.0000079300000000, 0.0000000000000000, -0.0007674900000000 ] - [ 0.0000387200000000, 0.0000000000000000, -0.0011465600000000 ] - [ -0.0000165200000000, 0.0000312900000000, -0.0008130100000000 ] - [ -0.0000165200000000, -0.0000312900000000, -0.0008130100000000 ]- atom: 81 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0000674600000000, 0.0000000000000000, 0.0000662500000000 ] - [ -0.0001228600000000, 0.0000000000000000, 0.0001417100000000 ] - [ -0.0001512100000000, 0.0000000000000000, -0.0001725900000000 ] - [ 0.0000004000000000, 0.0000000000000000, 0.0001503400000000 ] - [ 0.0031992100000000, 0.0000000000000000, -0.0030697400000000 ] - [ 0.0020174800000000, 0.0000000000000000, -0.0004780400000000 ] - [ 0.0031911200000000, 0.0000000000000000, 0.0002032800000000 ] - [ -0.0027782900000000, 0.0000000000000000, 0.0033435200000000 ] - [ -0.0001287700000000, 0.0000000000000000, 0.0002116000000000 ] - [ 0.0003020300000000, 0.0000000000000000, 0.0006279500000000 ] - [ -0.0000122000000000, 0.0000000000000000, 0.0001096500000000 ] - [ -0.0000728100000000, 0.0000000000000000, 0.0001415900000000 ] - [ -0.0001718500000000, 0.0000000000000000, 0.0004342500000000 ] - [ -0.0001868400000000, 0.0000000000000000, 0.0002721200000000 ] - [ -0.0049875600000000, 0.0000000000000000, 0.0018567900000000 ] - [ -0.0015340200000000, 0.0000000000000000, -0.0002318800000000 ] - [ -0.0016079700000000, 0.0000000000000000, 0.0001174500000000 ] - [ 0.0162280500000000, 0.0000000000000000, 0.0036053600000000 ] - [ 0.0001245000000000, 0.0000000000000000, 0.0000344100000000 ] - [ -0.0000171800000000, 0.0000000000000000, -0.0002018800000000 ] - [ 0.0000712400000000, 0.0000000000000000, 0.0001982800000000 ] - [ 0.0001275400000000, 0.0000000000000000, 0.0002917600000000 ] - [ 0.0000720600000000, -0.0001312700000000, 0.0002105700000000 ] - [ -0.0002411800000000, 0.0000000000000000, 0.0001629400000000 ] - [ 0.0000720600000000, 0.0001312700000000, 0.0002105700000000 ] - [ -0.0007011000000000, 0.0003436200000000, 0.0004187700000000 ] - [ 0.0822661200000000, 0.0000000000000000, -0.0212226900000000 ] - [ 0.0001760700000000, 0.0000000000000000, -0.0041787800000000 ] - [ 0.0007918700000000, -0.0001232700000000, -0.0000194200000000 ] - [ -0.0045228200000000, 0.0000000000000000, -0.0001046800000000 ] - [ -0.0001174300000000, 0.0000000000000000, 0.0003147100000000 ] - [ 0.0164242900000000, -0.0103609400000000, -0.0084769100000000 ] - [ -0.0065931000000000, -0.0000243000000000, -0.0031296400000000 ] - [ -0.0004123900000000, 0.0000000000000000, -0.0014730100000000 ] - [ -0.0010442500000000, -0.0024141600000000, 0.0024190100000000 ] - [ -0.0003290600000000, 0.0000000000000000, 0.0006006500000000 ] - [ -0.0010442500000000, 0.0024141600000000, 0.0024190100000000 ] - [ -0.0000886600000000, -0.0000098300000000, 0.0001091500000000 ] - [ 0.0001193200000000, 0.0000432000000000, 0.0003050800000000 ] - [ -0.0013323800000000, 0.0000000000000000, 0.0001860300000000 ] - [ 0.0000321100000000, 0.0000000000000000, 0.0002665300000000 ] - [ 0.0000581100000000, 0.0000000000000000, 0.0002642900000000 ] - [ 0.0000072400000000, -0.0001417800000000, 0.0002581700000000 ] - [ -0.0000850000000000, 0.0000000000000000, 0.0005003200000000 ] - [ 0.0000072400000000, 0.0001417800000000, 0.0002581700000000 ] - [ 0.0007918700000000, 0.0001232700000000, -0.0000194200000000 ] - [ -0.0060885200000000, 0.0000000000000000, -0.0037784900000000 ] - [ -0.0017884200000000, 0.0000000000000000, 0.0014894200000000 ] - [ -0.0007011000000000, -0.0003436200000000, 0.0004187700000000 ] - [ 0.0049135800000000, 0.0000000000000000, -0.0004898100000000 ] - [ -0.0002317600000000, 0.0000000000000000, 0.0002656300000000 ] - [ -0.0065931000000000, 0.0000243000000000, -0.0031296400000000 ] - [ 0.0164242900000000, 0.0103609400000000, -0.0084769100000000 ] - [ 0.0008289300000000, 0.0000000000000000, 0.0045175400000000 ] - [ -0.0000692600000000, 0.0002063200000000, -0.0019882600000000 ] - [ 0.0002312700000000, 0.0000000000000000, -0.0003070100000000 ] - [ -0.0000692600000000, -0.0002063200000000, -0.0019882600000000 ] - [ 0.0001193200000000, -0.0000432000000000, 0.0003050800000000 ] - [ -0.0000886600000000, 0.0000098300000000, 0.0001091500000000 ] - [ 0.0013365000000000, 0.0000000000000000, -0.0000294500000000 ] - [ -0.0000401900000000, 0.0001440500000000, -0.0001741000000000 ] - [ -0.0000851200000000, 0.0000000000000000, -0.0000042200000000 ] - [ -0.0000405900000000, -0.0001439600000000, -0.0001671800000000 ] - [ -0.0000377300000000, 0.0000000000000000, -0.0001710100000000 ] - [ -0.0000527200000000, 0.0000000000000000, -0.0002331000000000 ] - [ -0.0000675600000000, -0.0000133000000000, 0.0000868500000000 ] - [ 0.0000579500000000, 0.0000000000000000, -0.0002924500000000 ] - [ -0.0001177400000000, -0.0000200900000000, -0.0001635600000000 ] - [ -0.0004662400000000, 0.0000000000000000, 0.0008573300000000 ] - [ -0.0000675600000000, 0.0000133000000000, 0.0000868500000000 ] - [ 0.0001605800000000, 0.0000000000000000, -0.0000964500000000 ] - [ -0.0001177400000000, 0.0000200900000000, -0.0001635600000000 ] - [ -0.0005362200000000, 0.0000000000000000, 0.0006668400000000 ] - [ -0.0033338600000000, 0.0015431200000000, 0.0023123600000000 ] - [ -0.0002336700000000, 0.0000000000000000, -0.0004121700000000 ] - [ -0.0009891000000000, -0.0004345500000000, -0.0007835300000000 ] - [ 0.0041060200000000, 0.0000000000000000, 0.0002217700000000 ] - [ 0.0023206600000000, 0.0000307600000000, -0.0003445000000000 ] - [ 0.0011329300000000, 0.0000000000000000, 0.0017827600000000 ] - [ 0.0006428600000000, -0.0002959900000000, 0.0004456700000000 ] - [ -0.1637108700000000, 0.0000000000000000, 0.0408928700000000 ] - [ 0.0019186800000000, 0.0001971200000000, -0.0005813000000000 ] - [ 0.0010113900000000, 0.0000000000000000, 0.0027295000000000 ] - [ 0.0092243900000000, 0.0065687100000000, 0.0021927300000000 ] - [ 0.0004809700000000, 0.0000000000000000, -0.0006397800000000 ] - [ -0.0019889500000000, -0.0013412600000000, 0.0031139700000000 ] - [ -0.0014926100000000, 0.0000000000000000, -0.0007475400000000 ] - [ 0.0092243900000000, -0.0065687100000000, 0.0021927300000000 ] - [ 0.0013311700000000, 0.0000000000000000, -0.0014278000000000 ] - [ -0.0000164000000000, 0.0000272300000000, -0.0003506400000000 ] - [ 0.0025672800000000, 0.0000000000000000, -0.0096651400000000 ] - [ 0.0008953500000000, 0.0002456900000000, 0.0004207000000000 ] - [ -0.0000175200000000, 0.0000000000000000, -0.0001337100000000 ] - [ -0.0000164000000000, -0.0000272300000000, -0.0003506400000000 ] - [ -0.0000608300000000, 0.0000000000000000, -0.0002120200000000 ] - [ -0.0010565300000000, 0.0005309800000000, -0.0008914800000000 ] - [ 0.0000202600000000, 0.0000000000000000, -0.0000085700000000 ] - [ 0.0002526600000000, 0.0000000000000000, -0.0002168500000000 ] - [ 0.0000844600000000, 0.0000282400000000, -0.0001324100000000 ] - [ 0.0000844600000000, -0.0000282400000000, -0.0001324100000000 ] - [ -0.0000405900000000, 0.0001439600000000, -0.0001671800000000 ] - [ -0.0000920900000000, 0.0000000000000000, -0.0001188900000000 ] - [ -0.0000401900000000, -0.0001440500000000, -0.0001741000000000 ] - [ 0.0000178300000000, 0.0000000000000000, -0.0001949400000000 ] - [ -0.0000409100000000, 0.0000000000000000, -0.0001623900000000 ] - [ -0.0000757800000000, -0.0000126600000000, -0.0002589700000000 ] - [ 0.0000935400000000, 0.0000000000000000, -0.0003042000000000 ] - [ -0.0000368300000000, -0.0000080100000000, -0.0001652800000000 ] - [ 0.0001933700000000, 0.0000000000000000, -0.0004311700000000 ] - [ -0.0000757800000000, 0.0000126600000000, -0.0002589700000000 ] - [ -0.0002373400000000, 0.0000000000000000, -0.0001601000000000 ] - [ -0.0000368300000000, 0.0000080100000000, -0.0001652800000000 ] - [ 0.0012510600000000, 0.0000000000000000, -0.0012550500000000 ] - [ 0.0023206600000000, -0.0000307600000000, -0.0003445000000000 ] - [ 0.0002208700000000, 0.0000000000000000, -0.0002678900000000 ] - [ 0.0006428600000000, 0.0002959900000000, 0.0004456700000000 ] - [ -0.0058337500000000, 0.0000000000000000, 0.0014768600000000 ] - [ -0.0033338600000000, -0.0015431200000000, 0.0023123600000000 ] - [ -0.0009443900000000, 0.0000000000000000, -0.0013133800000000 ] - [ -0.0009891000000000, 0.0004345500000000, -0.0007835300000000 ] - [ 0.0079175500000000, 0.0000000000000000, -0.0006968900000000 ] - [ -0.0019889500000000, 0.0013412600000000, 0.0031139700000000 ] - [ 0.0031407800000000, 0.0000000000000000, -0.0120369600000000 ] - [ 0.0132664100000000, 0.0096762600000000, 0.0015553500000000 ] - [ -0.0001536900000000, 0.0000000000000000, 0.0007046200000000 ] - [ 0.0019186800000000, -0.0001971200000000, -0.0005813000000000 ] - [ 0.0018737600000000, 0.0000000000000000, 0.0018408200000000 ] - [ 0.0132664100000000, -0.0096762600000000, 0.0015553500000000 ] - [ -0.0004601800000000, 0.0000000000000000, 0.0008567300000000 ] - [ 0.0000349800000000, 0.0000045800000000, 0.0000866500000000 ] - [ 0.0011078000000000, 0.0000000000000000, 0.0028168500000000 ] - [ -0.0010565300000000, -0.0005309800000000, -0.0008914800000000 ] - [ -0.0000017300000000, 0.0000000000000000, -0.0000030200000000 ] - [ 0.0000349800000000, -0.0000045800000000, 0.0000866500000000 ] - [ 0.0004034000000000, 0.0000000000000000, -0.0001446600000000 ] - [ 0.0008953500000000, -0.0002456900000000, 0.0004207000000000 ] - [ -0.0000172800000000, 0.0000000000000000, -0.0001074500000000 ] - [ -0.0001637800000000, 0.0000000000000000, -0.0003673500000000 ] - [ -0.0000195200000000, 0.0000116200000000, -0.0001369000000000 ] - [ -0.0000195200000000, -0.0000116200000000, -0.0001369000000000 ]- atom: 81 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0000015500000000, 0.0000000000000000, -0.0002191600000000 ] - [ -0.0000324600000000, 0.0000000000000000, -0.0001725100000000 ] - [ 0.0000384200000000, 0.0000000000000000, 0.0001551200000000 ] - [ -0.0001981200000000, 0.0000000000000000, -0.0000595300000000 ] - [ -0.0031604600000000, 0.0000000000000000, 0.0030034300000000 ] - [ -0.0019606900000000, 0.0000000000000000, 0.0004882200000000 ] - [ -0.0031282200000000, 0.0000000000000000, -0.0001724600000000 ] - [ 0.0027752800000000, 0.0000000000000000, -0.0033823100000000 ] - [ 0.0000794500000000, 0.0000000000000000, -0.0002850500000000 ] - [ -0.0000556700000000, 0.0000000000000000, -0.0006667600000000 ] - [ 0.0000781000000000, 0.0000000000000000, -0.0002627200000000 ] - [ -0.0000829000000000, 0.0000000000000000, -0.0001726900000000 ] - [ 0.0000524400000000, 0.0000000000000000, -0.0004487800000000 ] - [ -0.0000115600000000, 0.0000000000000000, -0.0001824400000000 ] - [ 0.0049660700000000, 0.0000000000000000, -0.0019073800000000 ] - [ 0.0016012300000000, 0.0000000000000000, 0.0002195200000000 ] - [ 0.0016477500000000, 0.0000000000000000, -0.0000742100000000 ] - [ -0.0172275500000000, 0.0000000000000000, -0.0045368800000000 ] - [ -0.0001729900000000, 0.0000000000000000, -0.0001087600000000 ] - [ 0.0002594000000000, 0.0000000000000000, 0.0001603000000000 ] - [ 0.0000475800000000, 0.0000000000000000, -0.0002274100000000 ] - [ 0.0000357800000000, 0.0000000000000000, -0.0002968800000000 ] - [ -0.0000349400000000, -0.0001679600000000, -0.0002324300000000 ] - [ -0.0000686900000000, 0.0000000000000000, -0.0000358100000000 ] - [ -0.0000349400000000, 0.0001679600000000, -0.0002324300000000 ] - [ 0.0006291400000000, -0.0001634900000000, -0.0004384400000000 ] - [ -0.0775107300000000, 0.0000000000000000, 0.0195152000000000 ] - [ -0.0002236800000000, 0.0000000000000000, 0.0042169600000000 ] - [ -0.0008618600000000, -0.0000560300000000, 0.0000073700000000 ] - [ 0.0046101100000000, 0.0000000000000000, -0.0000115800000000 ] - [ -0.0002221000000000, 0.0000000000000000, -0.0003007100000000 ] - [ -0.0163400800000000, 0.0105095400000000, 0.0086322900000000 ] - [ 0.0066168600000000, 0.0001134700000000, 0.0030702400000000 ] - [ 0.0002988300000000, 0.0000000000000000, 0.0015255500000000 ] - [ 0.0013159700000000, 0.0023735700000000, -0.0024429700000000 ] - [ 0.0002472000000000, 0.0000000000000000, -0.0006083300000000 ] - [ 0.0013159700000000, -0.0023735700000000, -0.0024429700000000 ] - [ 0.0001379300000000, 0.0000353900000000, -0.0001908700000000 ] - [ -0.0000683200000000, -0.0000686500000000, -0.0003865400000000 ] - [ 0.0014231700000000, 0.0000000000000000, -0.0002032400000000 ] - [ 0.0000868600000000, 0.0000000000000000, -0.0002955300000000 ] - [ 0.0001053800000000, 0.0000000000000000, -0.0002689700000000 ] - [ 0.0000295000000000, -0.0001572600000000, -0.0002801700000000 ] - [ -0.0002285600000000, 0.0000000000000000, -0.0003722100000000 ] - [ 0.0000295000000000, 0.0001572600000000, -0.0002801700000000 ] - [ -0.0008618600000000, 0.0000560300000000, 0.0000073700000000 ] - [ 0.0060667400000000, 0.0000000000000000, 0.0038290400000000 ] - [ 0.0016815400000000, 0.0000000000000000, -0.0014429900000000 ] - [ 0.0006291400000000, 0.0001634900000000, -0.0004384400000000 ] - [ -0.0047807000000000, 0.0000000000000000, 0.0003247900000000 ] - [ -0.0001071500000000, 0.0000000000000000, -0.0002539200000000 ] - [ 0.0066168600000000, -0.0001134700000000, 0.0030702400000000 ] - [ -0.0163400800000000, -0.0105095400000000, 0.0086322900000000 ] - [ -0.0009623400000000, 0.0000000000000000, -0.0044384100000000 ] - [ 0.0003235500000000, -0.0002343800000000, 0.0019496300000000 ] - [ -0.0003119800000000, 0.0000000000000000, 0.0002933400000000 ] - [ 0.0003235500000000, 0.0002343800000000, 0.0019496300000000 ] - [ -0.0000683200000000, 0.0000686500000000, -0.0003865400000000 ] - [ 0.0001379300000000, -0.0000353900000000, -0.0001908700000000 ] - [ -0.0012347200000000, 0.0000000000000000, 0.0000064500000000 ] - [ -0.0000103900000000, 0.0001318800000000, 0.0001590900000000 ] - [ -0.0001114600000000, 0.0000000000000000, 0.0002907900000000 ] - [ -0.0000096900000000, -0.0001318900000000, 0.0001520700000000 ] - [ -0.0000160400000000, 0.0000000000000000, 0.0001467200000000 ] - [ -0.0000995700000000, 0.0000000000000000, 0.0001539500000000 ] - [ -0.0000584400000000, -0.0000057700000000, -0.0000001000000000 ] - [ 0.0000869200000000, 0.0000000000000000, 0.0000506000000000 ] - [ 0.0000035000000000, 0.0000224000000000, 0.0001372300000000 ] - [ 0.0001603600000000, 0.0000000000000000, -0.0007079500000000 ] - [ -0.0000584400000000, 0.0000057700000000, -0.0000001000000000 ] - [ -0.0002514700000000, 0.0000000000000000, 0.0001184300000000 ] - [ 0.0000035000000000, -0.0000224000000000, 0.0001372300000000 ] - [ 0.0004683400000000, 0.0000000000000000, -0.0007373400000000 ] - [ 0.0032584100000000, -0.0016730000000000, -0.0024773600000000 ] - [ 0.0001895600000000, 0.0000000000000000, 0.0003071500000000 ] - [ 0.0010095200000000, 0.0006582900000000, 0.0008128400000000 ] - [ -0.0039647600000000, 0.0000000000000000, -0.0001889300000000 ] - [ -0.0023289300000000, 0.0000918400000000, 0.0002197800000000 ] - [ -0.0011806800000000, 0.0000000000000000, -0.0017069600000000 ] - [ -0.0006261400000000, 0.0000717500000000, -0.0004077300000000 ] - [ 0.1597386900000000, 0.0000000000000000, -0.0385560700000000 ] - [ -0.0019658500000000, -0.0001690000000000, 0.0005062000000000 ] - [ -0.0011795500000000, 0.0000000000000000, -0.0028563600000000 ] - [ -0.0090374800000000, -0.0064525300000000, -0.0019554600000000 ] - [ -0.0002206400000000, 0.0000000000000000, 0.0005751300000000 ] - [ 0.0019539300000000, 0.0013035100000000, -0.0031458700000000 ] - [ 0.0014974900000000, 0.0000000000000000, 0.0008290100000000 ] - [ -0.0090374800000000, 0.0064525300000000, -0.0019554600000000 ] - [ -0.0012404100000000, 0.0000000000000000, 0.0014379500000000 ] - [ 0.0000535300000000, 0.0000080000000000, 0.0003493300000000 ] - [ -0.0024932400000000, 0.0000000000000000, 0.0095845900000000 ] - [ -0.0006709500000000, -0.0001317600000000, -0.0004665300000000 ] - [ -0.0000180200000000, 0.0000000000000000, 0.0003810600000000 ] - [ 0.0000535300000000, -0.0000080000000000, 0.0003493300000000 ] - [ 0.0003852400000000, 0.0000000000000000, 0.0001302400000000 ] - [ 0.0012690000000000, -0.0006410900000000, 0.0008430500000000 ] - [ -0.0000423100000000, 0.0000000000000000, 0.0002294900000000 ] - [ -0.0002120000000000, 0.0000000000000000, 0.0001957300000000 ] - [ 0.0000153600000000, 0.0000229100000000, 0.0001862400000000 ] - [ 0.0000153600000000, -0.0000229100000000, 0.0001862400000000 ] - [ -0.0000096900000000, 0.0001318900000000, 0.0001520700000000 ] - [ -0.0001036600000000, 0.0000000000000000, 0.0004052400000000 ] - [ -0.0000103900000000, -0.0001318800000000, 0.0001590900000000 ] - [ -0.0000715300000000, 0.0000000000000000, 0.0001706800000000 ] - [ -0.0001123200000000, 0.0000000000000000, 0.0000833000000000 ] - [ -0.0000465100000000, -0.0000069300000000, 0.0003472100000000 ] - [ 0.0000514700000000, 0.0000000000000000, 0.0000624700000000 ] - [ -0.0000772900000000, 0.0000104900000000, 0.0001397500000000 ] - [ -0.0004914700000000, 0.0000000000000000, 0.0005889100000000 ] - [ -0.0000465100000000, 0.0000069300000000, 0.0003472100000000 ] - [ 0.0001473000000000, 0.0000000000000000, 0.0001793800000000 ] - [ -0.0000772900000000, -0.0000104900000000, 0.0001397500000000 ] - [ -0.0013086100000000, 0.0000000000000000, 0.0011931900000000 ] - [ -0.0023289300000000, -0.0000918400000000, 0.0002197800000000 ] - [ -0.0002651200000000, 0.0000000000000000, 0.0001660900000000 ] - [ -0.0006261400000000, -0.0000717500000000, -0.0004077300000000 ] - [ 0.0059365900000000, 0.0000000000000000, -0.0014199700000000 ] - [ 0.0032584100000000, 0.0016730000000000, -0.0024773600000000 ] - [ 0.0009314700000000, 0.0000000000000000, 0.0013547900000000 ] - [ 0.0010095200000000, -0.0006582900000000, 0.0008128400000000 ] - [ -0.0080818200000000, 0.0000000000000000, 0.0007389400000000 ] - [ 0.0019539300000000, -0.0013035100000000, -0.0031458700000000 ] - [ -0.0032744500000000, 0.0000000000000000, 0.0119441800000000 ] - [ -0.0133202200000000, -0.0097965300000000, -0.0013510500000000 ] - [ 0.0004167500000000, 0.0000000000000000, -0.0007597400000000 ] - [ -0.0019658500000000, 0.0001690000000000, 0.0005062000000000 ] - [ -0.0018422100000000, 0.0000000000000000, -0.0017626300000000 ] - [ -0.0133202200000000, 0.0097965300000000, -0.0013510500000000 ] - [ 0.0005479900000000, 0.0000000000000000, -0.0008319100000000 ] - [ 0.0000035200000000, 0.0000303500000000, -0.0000857100000000 ] - [ -0.0010463400000000, 0.0000000000000000, -0.0027933700000000 ] - [ 0.0012690000000000, 0.0006410900000000, 0.0008430500000000 ] - [ -0.0000326900000000, 0.0000000000000000, 0.0002512700000000 ] - [ 0.0000035200000000, -0.0000303500000000, -0.0000857100000000 ] - [ -0.0000767500000000, 0.0000000000000000, 0.0000621900000000 ] - [ -0.0006709500000000, 0.0001317600000000, -0.0004665300000000 ] - [ -0.0000054000000000, 0.0000000000000000, 0.0003279600000000 ] - [ 0.0002024600000000, 0.0000000000000000, 0.0003476100000000 ] - [ 0.0001190900000000, 0.0000395700000000, 0.0001908600000000 ] - [ 0.0001190900000000, -0.0000395700000000, 0.0001908600000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000334400000000, -0.0000040600000000, -0.0000780900000000 ] - [ -0.0000787400000000, -0.0000001600000000, -0.0000159500000000 ] - [ -0.0000598000000000, -0.0000124700000000, -0.0000094700000000 ] - [ -0.0000992300000000, -0.0000126500000000, 0.0000434300000000 ] - [ -0.0000236400000000, -0.0038025800000000, -0.0000227900000000 ] - [ 0.0000359000000000, -0.0023056200000000, -0.0000054600000000 ] - [ 0.0000166500000000, 0.0012238000000000, 0.0000151100000000 ] - [ -0.0000000200000000, -0.0012685000000000, -0.0000325400000000 ] - [ -0.0000251800000000, 0.0000039700000000, -0.0000387900000000 ] - [ 0.0001215000000000, 0.0000451900000000, -0.0000224100000000 ] - [ 0.0000335500000000, -0.0000051500000000, -0.0000783100000000 ] - [ -0.0000786500000000, -0.0000002600000000, -0.0000162700000000 ] - [ -0.0000583300000000, -0.0000892400000000, -0.0000088500000000 ] - [ -0.0000994000000000, -0.0000074700000000, 0.0000435600000000 ] - [ -0.0000103100000000, 0.0023710900000000, -0.0000182400000000 ] - [ 0.0000336900000000, 0.0000869600000000, -0.0000038600000000 ] - [ 0.0000224300000000, -0.0000234700000000, 0.0000188900000000 ] - [ 0.0000298300000000, 0.0079552300000000, 0.0000017100000000 ] - [ -0.0000254100000000, 0.0000085500000000, -0.0000384400000000 ] - [ 0.0001224300000000, 0.0000286600000000, -0.0000217000000000 ] - [ 0.0000595300000000, -0.0000007400000000, -0.0000176900000000 ] - [ 0.0000816600000000, 0.0000003800000000, -0.0000083900000000 ] - [ 0.0000203300000000, -0.0001480400000000, -0.0000118400000000 ] - [ -0.0001563400000000, 0.0000301800000000, 0.0000624200000000 ] - [ 0.0000184800000000, 0.0001478000000000, -0.0000127500000000 ] - [ -0.0000286700000000, 0.0000890800000000, -0.0000213500000000 ] - [ -0.0002141700000000, 0.0064833500000000, 0.0001056000000000 ] - [ -0.0000450600000000, 0.0049440600000000, 0.0000284900000000 ] - [ -0.0001278400000000, -0.0000983300000000, -0.0002127400000000 ] - [ 0.0000559000000000, 0.0004133100000000, -0.0000615000000000 ] - [ -0.0001696800000000, 0.0000012700000000, 0.0000048000000000 ] - [ -0.0107244200000000, 0.0274559000000000, 0.0198463600000000 ] - [ -0.0010001600000000, 0.0001949700000000, -0.0008912000000000 ] - [ -0.0000646500000000, -0.0002359400000000, 0.0000303400000000 ] - [ 0.0001082600000000, 0.0000570100000000, 0.0000224900000000 ] - [ -0.0000404600000000, -0.0000120200000000, -0.0000070600000000 ] - [ 0.0001649200000000, 0.0000677800000000, -0.0000618700000000 ] - [ 0.0000156200000000, 0.0000128900000000, -0.0000491400000000 ] - [ 0.0000296800000000, -0.0000143300000000, -0.0000395400000000 ] - [ 0.0000498600000000, -0.0000104700000000, -0.0000112100000000 ] - [ 0.0000594200000000, 0.0000000000000000, -0.0000178200000000 ] - [ 0.0000820500000000, 0.0000011700000000, -0.0000080700000000 ] - [ 0.0000197400000000, -0.0001478900000000, -0.0000126500000000 ] - [ -0.0001555000000000, 0.0000252500000000, 0.0000627400000000 ] - [ 0.0000192100000000, 0.0001480100000000, -0.0000117000000000 ] - [ 0.0000601300000000, 0.0000827900000000, 0.0001903300000000 ] - [ 0.0000040300000000, -0.0058232900000000, 0.0000200500000000 ] - [ -0.0000442100000000, -0.0003293800000000, 0.0000258900000000 ] - [ -0.0000426700000000, -0.0000921900000000, 0.0000020300000000 ] - [ 0.0000543600000000, -0.0063302900000000, -0.0000193300000000 ] - [ -0.0001698600000000, -0.0000005500000000, 0.0000049500000000 ] - [ 0.0010468600000000, 0.0001147400000000, 0.0008739400000000 ] - [ 0.0100156800000000, 0.0262860400000000, -0.0186085400000000 ] - [ -0.0000596900000000, -0.0000087200000000, 0.0000394100000000 ] - [ -0.0010356500000000, 0.0000202500000000, -0.0008123800000000 ] - [ -0.0000410800000000, -0.0000665300000000, -0.0000058900000000 ] - [ 0.0013113700000000, 0.0000465100000000, 0.0007773700000000 ] - [ 0.0000207100000000, 0.0000135200000000, -0.0000465500000000 ] - [ 0.0000355000000000, -0.0000149800000000, -0.0000366300000000 ] - [ 0.0000465000000000, -0.0001774300000000, -0.0000102500000000 ] - [ -0.0000252700000000, 0.0001345600000000, -0.0000039800000000 ] - [ -0.0001002100000000, -0.0000044300000000, 0.0001441300000000 ] - [ -0.0000255300000000, -0.0001351900000000, -0.0000064100000000 ] - [ -0.0000290000000000, -0.0000001600000000, -0.0000105500000000 ] - [ -0.0000762300000000, 0.0000012300000000, -0.0000388500000000 ] - [ -0.0000371800000000, -0.0000149300000000, 0.0000854500000000 ] - [ 0.0000737800000000, -0.0000001000000000, -0.0001197500000000 ] - [ -0.0000579300000000, 0.0000002700000000, -0.0000092500000000 ] - [ -0.0001512800000000, -0.0004402800000000, 0.0000828200000000 ] - [ -0.0000875200000000, 0.0000067200000000, 0.0000043200000000 ] - [ -0.0000453000000000, 0.0000023500000000, 0.0000106000000000 ] - [ -0.0000553900000000, -0.0000001100000000, -0.0000150700000000 ] - [ -0.0000305400000000, 0.0006029000000000, -0.0000294900000000 ] - [ 0.0034246100000000, 0.0020262900000000, 0.0059078900000000 ] - [ -0.0000233000000000, 0.0000061300000000, -0.0000503900000000 ] - [ -0.0002517200000000, 0.0000746400000000, 0.0002580600000000 ] - [ 0.0000624000000000, -0.0010977000000000, 0.0000129600000000 ] - [ -0.0001996200000000, 0.0000177800000000, 0.0003176200000000 ] - [ -0.0000146800000000, -0.0007677600000000, 0.0000254100000000 ] - [ -0.0000110700000000, -0.0000943000000000, 0.0000278300000000 ] - [ 0.0008743500000000, -0.0954574900000000, -0.0013820700000000 ] - [ 0.0000151900000000, -0.0000047100000000, -0.0002513000000000 ] - [ -0.0000780900000000, 0.0009701500000000, -0.0000808300000000 ] - [ 0.0042444400000000, 0.0020592500000000, 0.0006907200000000 ] - [ 0.0001312200000000, 0.0000202000000000, -0.0000311000000000 ] - [ -0.0017789200000000, 0.0017164400000000, -0.0048221400000000 ] - [ 0.0000173200000000, 0.0004075200000000, 0.0000346500000000 ] - [ -0.0041530000000000, 0.0020722700000000, -0.0004903900000000 ] - [ 0.0000391400000000, 0.0000232100000000, 0.0000129200000000 ] - [ 0.0000135700000000, 0.0000177200000000, 0.0000136500000000 ] - [ 0.0000145300000000, -0.0015070600000000, 0.0000399400000000 ] - [ 0.0001532800000000, 0.0000688500000000, 0.0000071100000000 ] - [ -0.0000170800000000, -0.0000019700000000, 0.0001244100000000 ] - [ 0.0000255400000000, -0.0000173900000000, -0.0000106500000000 ] - [ 0.0001619500000000, 0.0000045900000000, -0.0000394000000000 ] - [ 0.0003347000000000, -0.0001067400000000, -0.0001204200000000 ] - [ -0.0000108100000000, 0.0000040500000000, 0.0001119000000000 ] - [ 0.0000186000000000, 0.0000053100000000, -0.0000074400000000 ] - [ 0.0000491000000000, 0.0000249100000000, 0.0000307500000000 ] - [ 0.0000494500000000, -0.0000258900000000, 0.0000265100000000 ] - [ -0.0000252900000000, 0.0001346600000000, -0.0000040600000000 ] - [ -0.0001002100000000, -0.0000014200000000, 0.0001439800000000 ] - [ -0.0000255500000000, -0.0001350000000000, -0.0000062800000000 ] - [ -0.0000290000000000, -0.0000004000000000, -0.0000105500000000 ] - [ -0.0000761200000000, 0.0000043200000000, -0.0000387400000000 ] - [ -0.0000788000000000, -0.0000103600000000, 0.0000637900000000 ] - [ 0.0000738400000000, 0.0000001100000000, -0.0001198100000000 ] - [ -0.0000579400000000, 0.0000002000000000, -0.0000102000000000 ] - [ -0.0001513600000000, 0.0000183800000000, 0.0000795300000000 ] - [ -0.0000466200000000, 0.0000106300000000, 0.0000245400000000 ] - [ -0.0000460700000000, -0.0000119300000000, 0.0000108200000000 ] - [ -0.0000552800000000, -0.0000004900000000, -0.0000143200000000 ] - [ -0.0000291900000000, 0.0000228900000000, -0.0000327700000000 ] - [ 0.0001825000000000, -0.0001048500000000, -0.0004527900000000 ] - [ -0.0000225200000000, -0.0000055600000000, -0.0000510200000000 ] - [ 0.0000297300000000, 0.0001279100000000, 0.0000065400000000 ] - [ 0.0000779900000000, 0.0230208400000000, 0.0000025500000000 ] - [ -0.0034019400000000, 0.0021558200000000, -0.0059834400000000 ] - [ -0.0000119100000000, 0.0018545400000000, 0.0000147300000000 ] - [ 0.0002655100000000, -0.0001453000000000, -0.0002248800000000 ] - [ -0.0000860500000000, 0.0014305300000000, 0.0000183100000000 ] - [ 0.0017134600000000, 0.0017635700000000, 0.0047251000000000 ] - [ -0.0000755300000000, -0.0052626300000000, -0.0000897100000000 ] - [ 0.0096377500000000, 0.0036328800000000, 0.0012476100000000 ] - [ 0.0001306300000000, -0.0006457800000000, -0.0000335100000000 ] - [ -0.0000716400000000, -0.0000289800000000, 0.0001819800000000 ] - [ 0.0000106100000000, -0.0008349300000000, 0.0000414400000000 ] - [ -0.0096397000000000, 0.0036064000000000, -0.0010571800000000 ] - [ 0.0000423900000000, 0.0006023800000000, 0.0000091400000000 ] - [ 0.0000375500000000, 0.0000099000000000, 0.0000317900000000 ] - [ 0.0000247400000000, 0.0009609100000000, 0.0000178400000000 ] - [ -0.0001098100000000, 0.0000107300000000, 0.0000797900000000 ] - [ -0.0000171000000000, -0.0000053200000000, 0.0001242400000000 ] - [ 0.0000010500000000, -0.0000253300000000, -0.0000299900000000 ] - [ 0.0001613300000000, -0.0000067200000000, -0.0000393200000000 ] - [ 0.0000674600000000, -0.0000456000000000, -0.0000498900000000 ] - [ -0.0000108000000000, 0.0000010600000000, 0.0001120400000000 ] - [ 0.0000192400000000, -0.0000050400000000, -0.0000073400000000 ] - [ 0.0000479100000000, 0.0000248500000000, 0.0000299900000000 ] - [ 0.0000509000000000, -0.0000260200000000, 0.0000272000000000 ]- atom: 81 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0000449500000000, 0.0000000000000000, -0.0009846500000000 ] - [ -0.0000065600000000, 0.0000000000000000, -0.0008394000000000 ] - [ -0.0005383600000000, 0.0000000000000000, -0.0006300300000000 ] - [ -0.0001819400000000, 0.0000000000000000, -0.0009665400000000 ] - [ -0.0021565000000000, 0.0000000000000000, 0.0047641500000000 ] - [ 0.0019851100000000, 0.0000000000000000, -0.0020641100000000 ] - [ 0.0002225800000000, 0.0000000000000000, -0.0031508900000000 ] - [ 0.0003508900000000, 0.0000000000000000, 0.0023690300000000 ] - [ -0.0000082100000000, 0.0000000000000000, -0.0008588500000000 ] - [ 0.0003002700000000, 0.0000000000000000, -0.0011750300000000 ] - [ 0.0000855900000000, 0.0000000000000000, -0.0009523700000000 ] - [ 0.0000237600000000, 0.0000000000000000, -0.0008765500000000 ] - [ 0.0004644000000000, 0.0000000000000000, -0.0009572500000000 ] - [ -0.0000575800000000, 0.0000000000000000, -0.0008537800000000 ] - [ 0.0018130700000000, 0.0000000000000000, 0.0036331200000000 ] - [ 0.0001904700000000, 0.0000000000000000, 0.0002589800000000 ] - [ -0.0001123200000000, 0.0000000000000000, 0.0001504700000000 ] - [ 0.0043102600000000, 0.0000000000000000, 0.0137572300000000 ] - [ -0.0000872100000000, 0.0000000000000000, -0.0009378200000000 ] - [ -0.0003568800000000, 0.0000000000000000, -0.0009102300000000 ] - [ 0.0000926200000000, 0.0000000000000000, -0.0013583700000000 ] - [ 0.0000302500000000, 0.0000000000000000, -0.0015203800000000 ] - [ -0.0001144700000000, -0.0001995800000000, -0.0013497000000000 ] - [ -0.0003813500000000, 0.0000000000000000, -0.0012752800000000 ] - [ -0.0001144700000000, 0.0001995800000000, -0.0013497000000000 ] - [ 0.0002096600000000, -0.0001742000000000, -0.0009455300000000 ] - [ -0.0067691600000000, 0.0000000000000000, 0.0122945900000000 ] - [ -0.0057512100000000, 0.0000000000000000, -0.0035044600000000 ] - [ -0.0002287400000000, -0.0001210300000000, -0.0018811800000000 ] - [ -0.0001430200000000, 0.0000000000000000, 0.0028075400000000 ] - [ -0.0000981500000000, 0.0000000000000000, -0.0015313400000000 ] - [ -0.0070074300000000, 0.0189541500000000, 0.0268986400000000 ] - [ -0.0001943300000000, -0.0000678500000000, 0.0034290700000000 ] - [ -0.0014377300000000, 0.0000000000000000, 0.0001165600000000 ] - [ 0.0019110400000000, 0.0017203500000000, -0.0008892200000000 ] - [ 0.0001631100000000, 0.0000000000000000, -0.0010634000000000 ] - [ 0.0019110400000000, -0.0017203500000000, -0.0008892200000000 ] - [ -0.0001166900000000, 0.0000898700000000, -0.0013043300000000 ] - [ 0.0000926500000000, -0.0001074900000000, -0.0014336300000000 ] - [ 0.0003007600000000, 0.0000000000000000, -0.0009283400000000 ] - [ 0.0001075400000000, 0.0000000000000000, -0.0013528500000000 ] - [ 0.0000147100000000, 0.0000000000000000, -0.0014649000000000 ] - [ -0.0000513500000000, -0.0002023700000000, -0.0013164000000000 ] - [ 0.0000907500000000, 0.0000000000000000, -0.0014366700000000 ] - [ -0.0000513500000000, 0.0002023700000000, -0.0013164000000000 ] - [ -0.0002287400000000, 0.0001210300000000, -0.0018811800000000 ] - [ -0.0005374700000000, 0.0000000000000000, 0.0033490800000000 ] - [ 0.0012786800000000, 0.0000000000000000, 0.0006248200000000 ] - [ 0.0002096600000000, 0.0001742000000000, -0.0009455300000000 ] - [ 0.0024376800000000, 0.0000000000000000, 0.0040951900000000 ] - [ -0.0001681100000000, 0.0000000000000000, -0.0012864300000000 ] - [ -0.0001943300000000, 0.0000678500000000, 0.0034290700000000 ] - [ -0.0070074300000000, -0.0189541500000000, 0.0268986400000000 ] - [ 0.0005440600000000, 0.0000000000000000, -0.0042052500000000 ] - [ -0.0028994700000000, 0.0001071400000000, -0.0010205400000000 ] - [ -0.0001250800000000, 0.0000000000000000, -0.0016918400000000 ] - [ -0.0028994700000000, -0.0001071400000000, -0.0010205400000000 ] - [ 0.0000926500000000, 0.0001074900000000, -0.0014336300000000 ] - [ -0.0001166900000000, -0.0000898700000000, -0.0013043300000000 ] - [ 0.0004533900000000, 0.0000000000000000, -0.0019472200000000 ] - [ 0.0000648500000000, 0.0001113200000000, 0.0008677100000000 ] - [ -0.0001065600000000, 0.0000000000000000, 0.0013052000000000 ] - [ 0.0000595000000000, -0.0001092800000000, 0.0008645600000000 ] - [ -0.0001072900000000, 0.0000000000000000, 0.0009248000000000 ] - [ -0.0002605300000000, 0.0000000000000000, 0.0008073400000000 ] - [ 0.0002600500000000, -0.0001165900000000, 0.0009379700000000 ] - [ 0.0000606500000000, 0.0000000000000000, 0.0008309800000000 ] - [ 0.0000554400000000, 0.0000783000000000, 0.0008375500000000 ] - [ 0.0003354500000000, 0.0000000000000000, 0.0017547100000000 ] - [ 0.0002600500000000, 0.0001165900000000, 0.0009379700000000 ] - [ -0.0001221500000000, 0.0000000000000000, 0.0006143100000000 ] - [ 0.0000554400000000, -0.0000783000000000, 0.0008375500000000 ] - [ 0.0007336600000000, 0.0000000000000000, 0.0015081200000000 ] - [ 0.0036018900000000, 0.0043524200000000, 0.0048075600000000 ] - [ -0.0000883400000000, 0.0000000000000000, 0.0013391100000000 ] - [ -0.0001226200000000, 0.0004889000000000, 0.0013836100000000 ] - [ 0.0001773500000000, 0.0000000000000000, -0.0026185600000000 ] - [ -0.0008382000000000, 0.0002549900000000, -0.0013302700000000 ] - [ 0.0018811800000000, 0.0000000000000000, -0.0015017400000000 ] - [ 0.0001735200000000, -0.0000724700000000, 0.0001002800000000 ] - [ 0.0173017600000000, 0.0000000000000000, -0.0901853400000000 ] - [ -0.0006517200000000, -0.0001395800000000, -0.0011910700000000 ] - [ 0.0012772100000000, 0.0000000000000000, -0.0020208900000000 ] - [ -0.0003902200000000, -0.0004012300000000, -0.0036008400000000 ] - [ -0.0001774000000000, 0.0000000000000000, 0.0003437100000000 ] - [ 0.0033828000000000, -0.0050125200000000, 0.0063329100000000 ] - [ -0.0009764300000000, 0.0000000000000000, -0.0010142900000000 ] - [ -0.0003902200000000, 0.0004012300000000, -0.0036008400000000 ] - [ -0.0009911100000000, 0.0000000000000000, 0.0010422200000000 ] - [ -0.0000125500000000, -0.0000117600000000, 0.0007665800000000 ] - [ -0.0050251700000000, 0.0000000000000000, 0.0052207700000000 ] - [ 0.0003897900000000, 0.0000229900000000, 0.0002441100000000 ] - [ -0.0000859100000000, 0.0000000000000000, 0.0012176800000000 ] - [ -0.0000125500000000, 0.0000117600000000, 0.0007665800000000 ] - [ -0.0000366000000000, 0.0000000000000000, 0.0009061600000000 ] - [ -0.0001016200000000, -0.0004005900000000, 0.0011554800000000 ] - [ -0.0000155700000000, 0.0000000000000000, 0.0009942600000000 ] - [ -0.0000508700000000, 0.0000000000000000, 0.0010014500000000 ] - [ 0.0001105100000000, 0.0000306900000000, 0.0008379300000000 ] - [ 0.0001105100000000, -0.0000306900000000, 0.0008379300000000 ] - [ 0.0000595000000000, 0.0001092800000000, 0.0008645600000000 ] - [ -0.0001777400000000, 0.0000000000000000, 0.0013068600000000 ] - [ 0.0000648500000000, -0.0001113200000000, 0.0008677100000000 ] - [ -0.0001342200000000, 0.0000000000000000, 0.0008911600000000 ] - [ -0.0001609700000000, 0.0000000000000000, 0.0007905300000000 ] - [ -0.0001508600000000, -0.0000298300000000, 0.0008036700000000 ] - [ 0.0000384300000000, 0.0000000000000000, 0.0007941800000000 ] - [ 0.0000097200000000, 0.0000607200000000, 0.0007417700000000 ] - [ -0.0005038800000000, 0.0000000000000000, 0.0003451600000000 ] - [ -0.0001508600000000, 0.0000298300000000, 0.0008036700000000 ] - [ -0.0002457600000000, 0.0000000000000000, 0.0010240800000000 ] - [ 0.0000097200000000, -0.0000607200000000, 0.0007417700000000 ] - [ -0.0012673600000000, 0.0000000000000000, 0.0010259300000000 ] - [ -0.0008382000000000, -0.0002549900000000, -0.0013302700000000 ] - [ -0.0001229500000000, 0.0000000000000000, 0.0009165100000000 ] - [ 0.0001735200000000, 0.0000724700000000, 0.0001002800000000 ] - [ 0.0006011400000000, 0.0000000000000000, -0.0082522100000000 ] - [ 0.0036018900000000, -0.0043524200000000, 0.0048075600000000 ] - [ -0.0014586800000000, 0.0000000000000000, -0.0007643400000000 ] - [ -0.0001226200000000, -0.0004889000000000, 0.0013836100000000 ] - [ 0.0003497600000000, 0.0000000000000000, -0.0018291300000000 ] - [ 0.0033828000000000, 0.0050125200000000, 0.0063329100000000 ] - [ -0.0081618300000000, 0.0000000000000000, 0.0073655200000000 ] - [ 0.0004001500000000, 0.0008842300000000, -0.0056526500000000 ] - [ 0.0005968200000000, 0.0000000000000000, 0.0016265300000000 ] - [ -0.0006517200000000, 0.0001395800000000, -0.0011910700000000 ] - [ 0.0020516700000000, 0.0000000000000000, -0.0008496200000000 ] - [ 0.0004001500000000, -0.0008842300000000, -0.0056526500000000 ] - [ 0.0006681200000000, 0.0000000000000000, 0.0015627900000000 ] - [ 0.0002759700000000, -0.0000813700000000, 0.0008874800000000 ] - [ 0.0013662800000000, 0.0000000000000000, -0.0019055200000000 ] - [ -0.0001016200000000, 0.0004005900000000, 0.0011554800000000 ] - [ -0.0000215400000000, 0.0000000000000000, 0.0012209600000000 ] - [ 0.0002759700000000, 0.0000813700000000, 0.0008874800000000 ] - [ 0.0001016800000000, 0.0000000000000000, 0.0006271000000000 ] - [ 0.0003897900000000, -0.0000229900000000, 0.0002441100000000 ] - [ -0.0000835500000000, 0.0000000000000000, 0.0010032900000000 ] - [ -0.0000593100000000, 0.0000000000000000, 0.0013398400000000 ] - [ 0.0001390100000000, 0.0000376400000000, 0.0009153900000000 ] - [ 0.0001390100000000, -0.0000376400000000, 0.0009153900000000 ]- atom: 81 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0000215100000000, 0.0000000000000000, 0.0008298200000000 ] - [ -0.0001497900000000, 0.0000000000000000, 0.0008075500000000 ] - [ 0.0004182000000000, 0.0000000000000000, 0.0006131000000000 ] - [ -0.0000165100000000, 0.0000000000000000, 0.0010536200000000 ] - [ 0.0021355900000000, 0.0000000000000000, -0.0047534200000000 ] - [ -0.0019023700000000, 0.0000000000000000, 0.0020534800000000 ] - [ -0.0001844200000000, 0.0000000000000000, 0.0032074100000000 ] - [ -0.0003442800000000, 0.0000000000000000, -0.0024537200000000 ] - [ -0.0000419800000000, 0.0000000000000000, 0.0007822400000000 ] - [ -0.0000571500000000, 0.0000000000000000, 0.0011325300000000 ] - [ -0.0000191700000000, 0.0000000000000000, 0.0007969300000000 ] - [ -0.0001799800000000, 0.0000000000000000, 0.0008440100000000 ] - [ -0.0005789200000000, 0.0000000000000000, 0.0009395300000000 ] - [ -0.0001403000000000, 0.0000000000000000, 0.0009412000000000 ] - [ -0.0018249300000000, 0.0000000000000000, -0.0036392600000000 ] - [ -0.0001192500000000, 0.0000000000000000, -0.0002609300000000 ] - [ 0.0001575200000000, 0.0000000000000000, -0.0001170100000000 ] - [ -0.0052011900000000, 0.0000000000000000, -0.0143836900000000 ] - [ 0.0000371600000000, 0.0000000000000000, 0.0008622100000000 ] - [ 0.0006040800000000, 0.0000000000000000, 0.0008671300000000 ] - [ 0.0000265500000000, 0.0000000000000000, 0.0013249400000000 ] - [ 0.0001328700000000, 0.0000000000000000, 0.0015089600000000 ] - [ 0.0001514400000000, -0.0000988700000000, 0.0013250900000000 ] - [ 0.0000674200000000, 0.0000000000000000, 0.0013999500000000 ] - [ 0.0001514400000000, 0.0000988700000000, 0.0013250900000000 ] - [ -0.0002784900000000, 0.0003525600000000, 0.0009277200000000 ] - [ 0.0065125500000000, 0.0000000000000000, -0.0120818700000000 ] - [ 0.0056208600000000, 0.0000000000000000, 0.0035296000000000 ] - [ 0.0001586000000000, -0.0000589500000000, 0.0018587200000000 ] - [ 0.0002529500000000, 0.0000000000000000, -0.0029489300000000 ] - [ -0.0002410600000000, 0.0000000000000000, 0.0015406300000000 ] - [ 0.0066463400000000, -0.0183387300000000, -0.0265976000000000 ] - [ 0.0002484600000000, 0.0001454800000000, -0.0034259500000000 ] - [ 0.0013052600000000, 0.0000000000000000, -0.0000475900000000 ] - [ -0.0016450500000000, -0.0017502700000000, 0.0008464900000000 ] - [ -0.0002449500000000, 0.0000000000000000, 0.0010482200000000 ] - [ -0.0016450500000000, 0.0017502700000000, 0.0008464900000000 ] - [ 0.0001681200000000, -0.0000629300000000, 0.0012189200000000 ] - [ -0.0000426400000000, 0.0000807300000000, 0.0013485700000000 ] - [ -0.0002040500000000, 0.0000000000000000, 0.0009044800000000 ] - [ 0.0000113100000000, 0.0000000000000000, 0.0013193400000000 ] - [ 0.0001492600000000, 0.0000000000000000, 0.0014537200000000 ] - [ 0.0000888200000000, -0.0000959200000000, 0.0012917700000000 ] - [ -0.0004021400000000, 0.0000000000000000, 0.0015606700000000 ] - [ 0.0000888200000000, 0.0000959200000000, 0.0012917700000000 ] - [ 0.0001586000000000, 0.0000589500000000, 0.0018587200000000 ] - [ 0.0005327600000000, 0.0000000000000000, -0.0033328300000000 ] - [ -0.0013678900000000, 0.0000000000000000, -0.0005616300000000 ] - [ -0.0002784900000000, -0.0003525600000000, 0.0009277200000000 ] - [ -0.0023464900000000, 0.0000000000000000, -0.0042584100000000 ] - [ -0.0001714800000000, 0.0000000000000000, 0.0012965800000000 ] - [ 0.0002484600000000, -0.0001454800000000, -0.0034259500000000 ] - [ 0.0066463400000000, 0.0183387300000000, -0.0265976000000000 ] - [ -0.0006665400000000, 0.0000000000000000, 0.0042580400000000 ] - [ 0.0031868700000000, -0.0001364800000000, 0.0009819000000000 ] - [ 0.0000437800000000, 0.0000000000000000, 0.0016812700000000 ] - [ 0.0031868700000000, 0.0001364800000000, 0.0009819000000000 ] - [ -0.0000426400000000, -0.0000807300000000, 0.0013485700000000 ] - [ 0.0001681200000000, 0.0000629300000000, 0.0012189200000000 ] - [ -0.0003628900000000, 0.0000000000000000, 0.0019294500000000 ] - [ -0.0001151800000000, 0.0001620200000000, -0.0008795700000000 ] - [ -0.0000908400000000, 0.0000000000000000, -0.0010152900000000 ] - [ -0.0001099200000000, -0.0001642700000000, -0.0008765500000000 ] - [ 0.0000514800000000, 0.0000000000000000, -0.0009461500000000 ] - [ 0.0001075400000000, 0.0000000000000000, -0.0008844700000000 ] - [ -0.0003840500000000, 0.0000976600000000, -0.0008484700000000 ] - [ 0.0000851600000000, 0.0000000000000000, -0.0010704500000000 ] - [ -0.0001689300000000, -0.0000769600000000, -0.0008614600000000 ] - [ -0.0006350800000000, 0.0000000000000000, -0.0015905900000000 ] - [ -0.0003840500000000, -0.0000976600000000, -0.0008484700000000 ] - [ 0.0000333000000000, 0.0000000000000000, -0.0005940400000000 ] - [ -0.0001689300000000, 0.0000769600000000, -0.0008614600000000 ] - [ -0.0007911500000000, 0.0000000000000000, -0.0015660100000000 ] - [ -0.0035798100000000, -0.0044084100000000, -0.0048861200000000 ] - [ 0.0000430900000000, 0.0000000000000000, -0.0014383100000000 ] - [ 0.0001384400000000, -0.0002638500000000, -0.0013473600000000 ] - [ -0.0000503100000000, 0.0000000000000000, 0.0026474600000000 ] - [ 0.0008169800000000, -0.0001308300000000, 0.0011865400000000 ] - [ -0.0019051100000000, 0.0000000000000000, 0.0015436000000000 ] - [ -0.0001558900000000, -0.0001500900000000, -0.0000695700000000 ] - [ -0.0154365300000000, 0.0000000000000000, 0.0899688600000000 ] - [ 0.0005989300000000, 0.0001676400000000, 0.0011313400000000 ] - [ -0.0014292400000000, 0.0000000000000000, 0.0018441800000000 ] - [ 0.0004320800000000, 0.0003822900000000, 0.0037985400000000 ] - [ 0.0004392900000000, 0.0000000000000000, -0.0004000000000000 ] - [ -0.0034758200000000, 0.0050448200000000, -0.0064773900000000 ] - [ 0.0010071600000000, 0.0000000000000000, 0.0011041400000000 ] - [ 0.0004320800000000, -0.0003822900000000, 0.0037985400000000 ] - [ 0.0010765700000000, 0.0000000000000000, -0.0010220400000000 ] - [ 0.0000515300000000, 0.0000472600000000, -0.0007643700000000 ] - [ 0.0051183700000000, 0.0000000000000000, -0.0052128400000000 ] - [ -0.0001694100000000, 0.0000931100000000, -0.0002844600000000 ] - [ 0.0000513500000000, 0.0000000000000000, -0.0009671600000000 ] - [ 0.0000515300000000, -0.0000472600000000, -0.0007643700000000 ] - [ 0.0003623300000000, 0.0000000000000000, -0.0009859900000000 ] - [ 0.0003265200000000, 0.0002846800000000, -0.0011989800000000 ] - [ -0.0000061700000000, 0.0000000000000000, -0.0007708700000000 ] - [ 0.0000887100000000, 0.0000000000000000, -0.0010189700000000 ] - [ -0.0000120300000000, 0.0000207300000000, -0.0007805500000000 ] - [ -0.0000120300000000, -0.0000207300000000, -0.0007805500000000 ] - [ -0.0001099200000000, 0.0001642700000000, -0.0008765500000000 ] - [ -0.0000198300000000, 0.0000000000000000, -0.0010168500000000 ] - [ -0.0001151800000000, -0.0001620200000000, -0.0008795700000000 ] - [ 0.0000783600000000, 0.0000000000000000, -0.0009125300000000 ] - [ 0.0000084500000000, 0.0000000000000000, -0.0008677600000000 ] - [ 0.0000251800000000, 0.0000117900000000, -0.0007150100000000 ] - [ 0.0001073400000000, 0.0000000000000000, -0.0010337900000000 ] - [ -0.0001234400000000, -0.0000594100000000, -0.0007660500000000 ] - [ 0.0002016600000000, 0.0000000000000000, -0.0001901000000000 ] - [ 0.0000251800000000, -0.0000117900000000, -0.0007150100000000 ] - [ 0.0001560800000000, 0.0000000000000000, -0.0010016700000000 ] - [ -0.0001234400000000, 0.0000594100000000, -0.0007660500000000 ] - [ 0.0011999300000000, 0.0000000000000000, -0.0010858300000000 ] - [ 0.0008169800000000, 0.0001308300000000, 0.0011865400000000 ] - [ 0.0000780700000000, 0.0000000000000000, -0.0010179000000000 ] - [ -0.0001558900000000, 0.0001500900000000, -0.0000695700000000 ] - [ -0.0004697700000000, 0.0000000000000000, 0.0082832500000000 ] - [ -0.0035798100000000, 0.0044084100000000, -0.0048861200000000 ] - [ 0.0014313200000000, 0.0000000000000000, 0.0007893400000000 ] - [ 0.0001384400000000, 0.0002638500000000, -0.0013473600000000 ] - [ -0.0005242100000000, 0.0000000000000000, 0.0018657600000000 ] - [ -0.0034758200000000, -0.0050448200000000, -0.0064773900000000 ] - [ 0.0078778500000000, 0.0000000000000000, -0.0074288400000000 ] - [ -0.0002930800000000, -0.0008600100000000, 0.0058610100000000 ] - [ -0.0003371900000000, 0.0000000000000000, -0.0016921800000000 ] - [ 0.0005989300000000, -0.0001676400000000, 0.0011313400000000 ] - [ -0.0020381700000000, 0.0000000000000000, 0.0009403800000000 ] - [ -0.0002930800000000, 0.0008600100000000, 0.0058610100000000 ] - [ -0.0005880700000000, 0.0000000000000000, -0.0015508400000000 ] - [ -0.0002385500000000, 0.0001173100000000, -0.0008866800000000 ] - [ -0.0013241200000000, 0.0000000000000000, 0.0019579700000000 ] - [ 0.0003265200000000, -0.0002846800000000, -0.0011989800000000 ] - [ -0.0000132200000000, 0.0000000000000000, -0.0009705300000000 ] - [ -0.0002385500000000, -0.0001173100000000, -0.0008866800000000 ] - [ 0.0002224700000000, 0.0000000000000000, -0.0007055600000000 ] - [ -0.0001694100000000, -0.0000931100000000, -0.0002844600000000 ] - [ 0.0000620900000000, 0.0000000000000000, -0.0007798000000000 ] - [ 0.0000979100000000, 0.0000000000000000, -0.0013589100000000 ] - [ -0.0000404200000000, 0.0000138300000000, -0.0008584400000000 ] - [ -0.0000404200000000, -0.0000138300000000, -0.0008584400000000 ]- atom: 82 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0001037200000000, 0.0000032600000000, -0.0001228700000000 ] - [ -0.0000413700000000, 0.0000005400000000, -0.0001527800000000 ] - [ 0.0000048600000000, 0.0000010000000000, -0.0001027200000000 ] - [ -0.0001129000000000, 0.0000005300000000, -0.0000665500000000 ] - [ -0.0004764800000000, 0.0006984900000000, 0.0011944200000000 ] - [ -0.0002272100000000, 0.0000485700000000, 0.0000724400000000 ] - [ -0.0037496100000000, 0.0001912700000000, -0.0009241900000000 ] - [ 0.0124039700000000, -0.0030876000000000, -0.0027797400000000 ] - [ 0.0005523800000000, 0.0000483500000000, -0.0004644500000000 ] - [ -0.0006331600000000, 0.0000735900000000, -0.0012742800000000 ] - [ 0.0001934800000000, -0.0000013300000000, -0.0002760900000000 ] - [ -0.0000919400000000, 0.0000000900000000, -0.0001039200000000 ] - [ -0.0001507000000000, 0.0000037000000000, -0.0001309300000000 ] - [ -0.0000919200000000, 0.0000000700000000, -0.0001024300000000 ] - [ -0.0008284300000000, -0.0000752300000000, -0.0009818600000000 ] - [ 0.0003864900000000, -0.0000513800000000, -0.0003996000000000 ] - [ 0.0117248300000000, 0.0009868800000000, -0.0010534400000000 ] - [ -0.0031805900000000, -0.0000977100000000, -0.0012120500000000 ] - [ -0.0004661000000000, -0.0000642100000000, 0.0001093100000000 ] - [ -0.0003716700000000, -0.0009400600000000, 0.0015352800000000 ] - [ 0.0000310300000000, 0.0000017600000000, -0.0000656100000000 ] - [ -0.0000636000000000, -0.0000049300000000, -0.0002809200000000 ] - [ -0.0000346600000000, -0.0001550200000000, -0.0001921600000000 ] - [ -0.0001055600000000, -0.0000003200000000, -0.0001189700000000 ] - [ -0.0000346300000000, 0.0001550600000000, -0.0001905000000000 ] - [ 0.0000514000000000, 0.0001256600000000, -0.0002862000000000 ] - [ -0.0018997700000000, -0.0020315400000000, 0.0057085900000000 ] - [ 0.0001655800000000, -0.0001471300000000, 0.0005033600000000 ] - [ -0.0000944100000000, -0.0000900100000000, -0.0000821200000000 ] - [ 0.0231394100000000, -0.0284766500000000, 0.0099429800000000 ] - [ -0.0001849900000000, -0.0000002200000000, -0.0001555200000000 ] - [ -0.0017535900000000, -0.0000365200000000, 0.0001135200000000 ] - [ 0.0039227800000000, -0.0003749800000000, -0.0006404400000000 ] - [ 0.0001450600000000, -0.0000140600000000, 0.0000199200000000 ] - [ 0.0393650700000000, 0.0038107600000000, 0.0209653900000000 ] - [ 0.0009793300000000, -0.0005671200000000, -0.0027626800000000 ] - [ 0.0037449700000000, 0.0006655300000000, -0.0018279600000000 ] - [ 0.0003778600000000, -0.0001434800000000, 0.0003507300000000 ] - [ -0.0003889700000000, -0.0000902500000000, -0.0005573600000000 ] - [ 0.0052106600000000, 0.0024319300000000, 0.0024154500000000 ] - [ 0.0000973500000000, -0.0000032800000000, -0.0003475500000000 ] - [ 0.0001929500000000, -0.0000044400000000, -0.0001040000000000 ] - [ 0.0000433000000000, -0.0001577800000000, -0.0001839900000000 ] - [ -0.0001991500000000, 0.0000006600000000, -0.0001259000000000 ] - [ 0.0000421600000000, 0.0001578900000000, -0.0001829000000000 ] - [ -0.0001014600000000, 0.0000898800000000, -0.0000928200000000 ] - [ -0.0028276200000000, -0.0012424200000000, -0.0044592800000000 ] - [ -0.0004813000000000, 0.0001467800000000, -0.0006206600000000 ] - [ 0.0000513500000000, -0.0001260500000000, -0.0002960100000000 ] - [ -0.0072365100000000, -0.0006078000000000, 0.0016759400000000 ] - [ -0.0001437100000000, -0.0000000200000000, -0.0002030200000000 ] - [ 0.0031500200000000, 0.0004361900000000, -0.0010462300000000 ] - [ -0.0015591700000000, 0.0000271600000000, 0.0001938300000000 ] - [ -0.0002948100000000, -0.0000224500000000, -0.0002079300000000 ] - [ -0.0034458600000000, 0.0006117000000000, 0.0037794700000000 ] - [ -0.0011715900000000, 0.0002078500000000, 0.0010142800000000 ] - [ -0.0067571500000000, -0.0005370600000000, 0.0030382200000000 ] - [ -0.0004893000000000, 0.0000828300000000, -0.0006251900000000 ] - [ 0.0002648000000000, 0.0001437300000000, 0.0001666600000000 ] - [ -0.0029306400000000, -0.0000658700000000, -0.0007585500000000 ] - [ 0.0000188200000000, 0.0001239000000000, 0.0001633000000000 ] - [ -0.0001009600000000, -0.0000001100000000, 0.0003074500000000 ] - [ -0.0000358300000000, -0.0001403500000000, 0.0000591200000000 ] - [ 0.0000191700000000, 0.0000003600000000, 0.0000918700000000 ] - [ -0.0000934300000000, 0.0000000800000000, 0.0000680000000000 ] - [ -0.0000750500000000, -0.0000133600000000, 0.0001214600000000 ] - [ 0.0001064500000000, -0.0000001400000000, -0.0000125100000000 ] - [ -0.0000341800000000, 0.0000104400000000, 0.0000822300000000 ] - [ -0.0001949700000000, 0.0000055700000000, 0.0000587000000000 ] - [ -0.0000744200000000, 0.0000135600000000, 0.0001206700000000 ] - [ -0.0001078100000000, 0.0000012700000000, 0.0001508400000000 ] - [ -0.0000341400000000, -0.0000105000000000, 0.0000816600000000 ] - [ -0.0000671200000000, -0.0000059500000000, -0.0000509200000000 ] - [ 0.0003216600000000, -0.0000198100000000, -0.0006407000000000 ] - [ -0.0000017500000000, -0.0000015600000000, 0.0000711400000000 ] - [ 0.0001483400000000, 0.0001390400000000, 0.0000789800000000 ] - [ -0.0013771000000000, -0.0019158200000000, 0.0050016300000000 ] - [ 0.0000799300000000, 0.0002007600000000, 0.0006386800000000 ] - [ -0.0010109700000000, 0.0002557300000000, 0.0000390800000000 ] - [ -0.0001133400000000, -0.0000939400000000, 0.0001185000000000 ] - [ 0.0018585000000000, 0.0000435100000000, -0.0008928600000000 ] - [ -0.1086471200000000, 0.0338802100000000, -0.0296195900000000 ] - [ -0.0009400500000000, -0.0003179100000000, -0.0004032900000000 ] - [ 0.0004210300000000, -0.0001171100000000, -0.0064897800000000 ] - [ -0.0026645600000000, -0.0042084200000000, 0.0063405300000000 ] - [ 0.0036882200000000, 0.0006099600000000, 0.0002550600000000 ] - [ 0.0133063800000000, -0.0095915400000000, -0.0015217300000000 ] - [ -0.0017450300000000, 0.0000218000000000, -0.0017392000000000 ] - [ -0.0032551700000000, 0.0034295700000000, 0.0041201000000000 ] - [ 0.0003368400000000, -0.0001918900000000, 0.0011941800000000 ] - [ 0.0069803900000000, 0.0067329300000000, -0.0014058000000000 ] - [ 0.0026474100000000, -0.0001916500000000, -0.0073756500000000 ] - [ 0.0000213200000000, -0.0000317800000000, 0.0005629200000000 ] - [ 0.0001072500000000, 0.0001287500000000, 0.0008417000000000 ] - [ 0.0009447000000000, -0.0000432300000000, 0.0001258300000000 ] - [ 0.0019620500000000, -0.0001113800000000, 0.0013041800000000 ] - [ -0.0000585500000000, -0.0000152600000000, 0.0000205100000000 ] - [ -0.0007499200000000, -0.0001873700000000, -0.0005305300000000 ] - [ -0.0001656100000000, -0.0000218600000000, 0.0000878800000000 ] - [ -0.0001373600000000, 0.0000194100000000, 0.0001049100000000 ] - [ -0.0000366300000000, 0.0001412100000000, 0.0000577900000000 ] - [ -0.0001055500000000, -0.0000000300000000, 0.0002991900000000 ] - [ 0.0000143700000000, -0.0001263000000000, 0.0001622300000000 ] - [ -0.0001080000000000, 0.0000017600000000, 0.0001303900000000 ] - [ -0.0000956100000000, 0.0000000500000000, 0.0000757000000000 ] - [ -0.0000133500000000, -0.0000317100000000, 0.0001894500000000 ] - [ 0.0000311900000000, -0.0000012000000000, 0.0000136200000000 ] - [ -0.0000563600000000, 0.0000105000000000, 0.0001053700000000 ] - [ -0.0001144300000000, -0.0000195300000000, 0.0004868200000000 ] - [ -0.0000168800000000, 0.0000308500000000, 0.0001863400000000 ] - [ -0.0000272300000000, 0.0000013200000000, 0.0000925900000000 ] - [ -0.0000561200000000, -0.0000105300000000, 0.0001051400000000 ] - [ -0.0000169100000000, 0.0000180300000000, 0.0002292900000000 ] - [ 0.0003060400000000, -0.0003090100000000, 0.0009927900000000 ] - [ -0.0000609300000000, -0.0000020000000000, 0.0001153300000000 ] - [ -0.0001414700000000, 0.0000882800000000, 0.0001145000000000 ] - [ 0.0015011700000000, -0.0000349600000000, -0.0011896100000000 ] - [ 0.0001085100000000, 0.0000179700000000, -0.0003815100000000 ] - [ 0.0006146800000000, -0.0000200500000000, 0.0001056700000000 ] - [ 0.0001379700000000, -0.0001391500000000, 0.0001017600000000 ] - [ -0.0020714900000000, 0.0017511300000000, 0.0037688900000000 ] - [ 0.0052941200000000, -0.0009316900000000, 0.0005619000000000 ] - [ 0.0004377300000000, 0.0000104000000000, 0.0002034000000000 ] - [ 0.0014477000000000, 0.0002489000000000, 0.0012309900000000 ] - [ 0.0019885200000000, -0.0001902500000000, -0.0012305100000000 ] - [ -0.0066519200000000, -0.0026493100000000, -0.0012980500000000 ] - [ 0.0091937700000000, -0.0042076200000000, -0.0017118700000000 ] - [ 0.0015156400000000, -0.0001594900000000, 0.0012402700000000 ] - [ 0.0023783500000000, 0.0001892000000000, -0.0011687000000000 ] - [ 0.0003531600000000, 0.0000805100000000, -0.0008884000000000 ] - [ 0.0086498700000000, 0.0051591100000000, -0.0008480200000000 ] - [ 0.0019678500000000, 0.0001991600000000, 0.0016091200000000 ] - [ -0.0000563100000000, 0.0000172400000000, 0.0000607800000000 ] - [ 0.0001388800000000, -0.0000647100000000, -0.0004753300000000 ] - [ -0.0009915900000000, 0.0002237500000000, -0.0000836900000000 ] - [ -0.0014033800000000, 0.0003263400000000, -0.0018901600000000 ] - [ 0.0000563900000000, 0.0000255900000000, 0.0004523300000000 ] - [ 0.0005709900000000, 0.0000301900000000, 0.0004248400000000 ] - [ 0.0002708600000000, 0.0000595800000000, 0.0001317600000000 ] - [ 0.0002455400000000, -0.0000542700000000, 0.0001516900000000 ]- atom: 82 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0001697500000000, -0.0000106200000000, -0.0000316600000000 ] - [ -0.0001149700000000, 0.0000001700000000, 0.0001206200000000 ] - [ -0.0001231200000000, -0.0000004500000000, 0.0000853300000000 ] - [ -0.0000847800000000, -0.0000000200000000, 0.0001535800000000 ] - [ 0.0004563200000000, -0.0006963600000000, -0.0012247300000000 ] - [ 0.0002975400000000, -0.0000482300000000, -0.0000799300000000 ] - [ 0.0037944300000000, -0.0001947100000000, 0.0009727600000000 ] - [ -0.0124817700000000, 0.0033112600000000, 0.0029094400000000 ] - [ -0.0006007400000000, -0.0000497400000000, 0.0003863900000000 ] - [ 0.0008673900000000, -0.0000725100000000, 0.0012300700000000 ] - [ -0.0001268900000000, -0.0000060200000000, 0.0001205900000000 ] - [ -0.0000643700000000, 0.0000007100000000, 0.0000712400000000 ] - [ 0.0000345600000000, -0.0000031600000000, 0.0001131800000000 ] - [ -0.0001059200000000, 0.0000004900000000, 0.0001895200000000 ] - [ 0.0008276100000000, 0.0000777300000000, 0.0009521500000000 ] - [ -0.0003167800000000, 0.0000522600000000, 0.0003942600000000 ] - [ -0.0115773200000000, -0.0007288300000000, 0.0008499000000000 ] - [ 0.0031825100000000, 0.0000978800000000, 0.0011411400000000 ] - [ 0.0004158500000000, 0.0000628000000000, -0.0001843200000000 ] - [ 0.0006191600000000, 0.0009403300000000, -0.0015772400000000 ] - [ 0.0000882000000000, -0.0000018100000000, 0.0000324300000000 ] - [ 0.0002263700000000, 0.0000049200000000, 0.0002713600000000 ] - [ 0.0000714900000000, -0.0001436400000000, 0.0001656900000000 ] - [ -0.0002070900000000, 0.0000000600000000, 0.0002440100000000 ] - [ 0.0000715900000000, 0.0001436000000000, 0.0001681200000000 ] - [ -0.0001207600000000, 0.0000543700000000, 0.0002673100000000 ] - [ 0.0018903100000000, 0.0020323700000000, -0.0056994000000000 ] - [ -0.0002595800000000, 0.0001468300000000, -0.0004508400000000 ] - [ 0.0000243800000000, -0.0000901900000000, 0.0000621700000000 ] - [ -0.0229896600000000, 0.0276606400000000, -0.0097879800000000 ] - [ -0.0001540400000000, 0.0000003400000000, 0.0001654100000000 ] - [ 0.0017981200000000, -0.0000451500000000, -0.0001429500000000 ] - [ -0.0038836500000000, 0.0004584800000000, 0.0006399200000000 ] - [ -0.0002713600000000, 0.0000140500000000, 0.0000435600000000 ] - [ -0.0410814600000000, -0.0040430600000000, -0.0227214300000000 ] - [ -0.0010560300000000, 0.0005669700000000, 0.0027362700000000 ] - [ -0.0035315500000000, -0.0006423800000000, 0.0018067400000000 ] - [ -0.0003255700000000, 0.0001695400000000, -0.0004338000000000 ] - [ 0.0004363700000000, 0.0000640400000000, 0.0004718200000000 ] - [ -0.0050930600000000, -0.0024340600000000, -0.0024440800000000 ] - [ 0.0000215500000000, 0.0000031600000000, 0.0003135500000000 ] - [ -0.0000291200000000, 0.0000045100000000, 0.0000941100000000 ] - [ -0.0000059600000000, -0.0001408300000000, 0.0001574500000000 ] - [ -0.0001126400000000, -0.0000007900000000, 0.0002510500000000 ] - [ -0.0000047600000000, 0.0001407300000000, 0.0001605100000000 ] - [ 0.0000313500000000, 0.0000903000000000, 0.0000730100000000 ] - [ 0.0028358800000000, 0.0012233500000000, 0.0044672400000000 ] - [ 0.0003971600000000, -0.0001478600000000, 0.0006746000000000 ] - [ -0.0001206800000000, -0.0000540300000000, 0.0002770300000000 ] - [ 0.0073488700000000, 0.0006165500000000, -0.0018122100000000 ] - [ -0.0001954800000000, 0.0000001000000000, 0.0002130000000000 ] - [ -0.0031166100000000, -0.0005200100000000, 0.0010349500000000 ] - [ 0.0016055600000000, 0.0000544100000000, -0.0002227000000000 ] - [ 0.0001715200000000, 0.0000225000000000, 0.0002684600000000 ] - [ 0.0037219600000000, -0.0006382800000000, -0.0037940200000000 ] - [ 0.0010894700000000, -0.0002076100000000, -0.0010213900000000 ] - [ 0.0070027700000000, 0.0005625700000000, -0.0030474500000000 ] - [ 0.0005364300000000, -0.0000567800000000, 0.0005409800000000 ] - [ -0.0002127300000000, -0.0001698600000000, -0.0002516100000000 ] - [ 0.0030198200000000, 0.0000687100000000, 0.0007429500000000 ] - [ -0.0000680800000000, 0.0001504900000000, -0.0001757500000000 ] - [ -0.0000953500000000, 0.0000000600000000, -0.0000178800000000 ] - [ -0.0000139200000000, -0.0001343800000000, -0.0000732600000000 ] - [ -0.0000751300000000, -0.0000003800000000, -0.0001138200000000 ] - [ -0.0000596000000000, -0.0000002100000000, -0.0001457300000000 ] - [ -0.0000492700000000, -0.0000054400000000, -0.0000314900000000 ] - [ 0.0000391100000000, 0.0000002000000000, -0.0002276100000000 ] - [ -0.0000797400000000, -0.0000088400000000, -0.0001063100000000 ] - [ -0.0001061500000000, -0.0000056000000000, 0.0001000600000000 ] - [ -0.0000500700000000, 0.0000051800000000, -0.0000333300000000 ] - [ 0.0000183700000000, -0.0000012500000000, -0.0001298100000000 ] - [ -0.0000797000000000, 0.0000086900000000, -0.0001074600000000 ] - [ 0.0000069100000000, 0.0000057900000000, -0.0000114900000000 ] - [ -0.0003367500000000, -0.0001041300000000, 0.0005083600000000 ] - [ -0.0000428300000000, 0.0000015100000000, -0.0001721100000000 ] - [ -0.0001315600000000, 0.0000837900000000, -0.0000440400000000 ] - [ 0.0014862500000000, 0.0019138300000000, -0.0049822100000000 ] - [ -0.0001015700000000, -0.0000784300000000, -0.0007785400000000 ] - [ 0.0009790000000000, -0.0002557100000000, 0.0000126300000000 ] - [ 0.0001303000000000, -0.0001286700000000, -0.0000870000000000 ] - [ -0.0020253900000000, -0.0000426000000000, 0.0009363300000000 ] - [ 0.1105145500000000, -0.0333341700000000, 0.0310653500000000 ] - [ 0.0007846200000000, 0.0003181300000000, 0.0002439400000000 ] - [ -0.0003278300000000, 0.0001222100000000, 0.0067186300000000 ] - [ 0.0029745100000000, 0.0042251400000000, -0.0064075100000000 ] - [ -0.0037404000000000, -0.0006370700000000, -0.0003239400000000 ] - [ -0.0134376800000000, 0.0097504500000000, 0.0016277500000000 ] - [ 0.0018299700000000, -0.0000263700000000, 0.0019443100000000 ] - [ 0.0033702800000000, -0.0034416500000000, -0.0040994200000000 ] - [ -0.0002963700000000, 0.0002257700000000, -0.0011883600000000 ] - [ -0.0070015000000000, -0.0068301300000000, 0.0014616100000000 ] - [ -0.0024302300000000, 0.0003106700000000, 0.0072877900000000 ] - [ -0.0000553700000000, 0.0000317000000000, -0.0003120000000000 ] - [ -0.0000666400000000, -0.0001621800000000, -0.0008371200000000 ] - [ -0.0006175300000000, 0.0000435700000000, -0.0002084100000000 ] - [ -0.0017038600000000, -0.0000014300000000, -0.0013330900000000 ] - [ 0.0000351500000000, 0.0000150400000000, 0.0002022300000000 ] - [ 0.0007879400000000, 0.0001869300000000, 0.0005118700000000 ] - [ 0.0002647500000000, 0.0000731300000000, -0.0000303800000000 ] - [ 0.0002361000000000, -0.0000708200000000, -0.0000499200000000 ] - [ -0.0000128300000000, 0.0001333200000000, -0.0000704900000000 ] - [ -0.0000907300000000, -0.0000000900000000, -0.0000096600000000 ] - [ -0.0000638400000000, -0.0001482800000000, -0.0001761400000000 ] - [ 0.0000518400000000, -0.0000017200000000, -0.0001521000000000 ] - [ -0.0000572400000000, -0.0000002200000000, -0.0001534900000000 ] - [ -0.0001112200000000, 0.0000132400000000, -0.0000996000000000 ] - [ 0.0001142200000000, 0.0000012200000000, -0.0002536000000000 ] - [ -0.0000576200000000, -0.0000087900000000, -0.0001293900000000 ] - [ -0.0001878500000000, 0.0000195200000000, -0.0003292400000000 ] - [ -0.0001077800000000, -0.0000124400000000, -0.0000991100000000 ] - [ -0.0000623300000000, -0.0000013200000000, -0.0000710700000000 ] - [ -0.0000578900000000, 0.0000086700000000, -0.0001309600000000 ] - [ -0.0000449900000000, -0.0000182600000000, -0.0002924500000000 ] - [ -0.0003275100000000, 0.0001872100000000, -0.0011320200000000 ] - [ 0.0000162000000000, 0.0000020100000000, -0.0002167900000000 ] - [ 0.0001585800000000, 0.0001342800000000, -0.0000809400000000 ] - [ -0.0013739400000000, 0.0000333000000000, 0.0012288400000000 ] - [ -0.0001241000000000, 0.0001057700000000, 0.0002474700000000 ] - [ -0.0006522700000000, 0.0000203800000000, -0.0000491300000000 ] - [ -0.0001213700000000, -0.0000837100000000, -0.0000690000000000 ] - [ 0.0018762100000000, -0.0017585700000000, -0.0037530400000000 ] - [ -0.0053468800000000, 0.0009620000000000, -0.0006287500000000 ] - [ -0.0005973800000000, -0.0000107600000000, -0.0003584100000000 ] - [ -0.0013800800000000, -0.0002471000000000, -0.0010178500000000 ] - [ -0.0017254900000000, 0.0001913200000000, 0.0011583600000000 ] - [ 0.0066154500000000, 0.0025751200000000, 0.0012451800000000 ] - [ -0.0090942500000000, 0.0041634800000000, 0.0017794100000000 ] - [ -0.0014447700000000, 0.0001586700000000, -0.0010286400000000 ] - [ -0.0022905700000000, -0.0001909400000000, 0.0011801000000000 ] - [ -0.0003155200000000, -0.0000462600000000, 0.0008875500000000 ] - [ -0.0085152900000000, -0.0050846400000000, 0.0008748000000000 ] - [ -0.0017401900000000, -0.0000852400000000, -0.0016617000000000 ] - [ 0.0000213700000000, -0.0000172400000000, 0.0001886000000000 ] - [ -0.0001018700000000, 0.0000303200000000, 0.0004743900000000 ] - [ 0.0013135300000000, -0.0002232100000000, 0.0000026200000000 ] - [ 0.0016116300000000, -0.0004420300000000, 0.0018432700000000 ] - [ -0.0000786800000000, -0.0000256900000000, -0.0002284500000000 ] - [ -0.0005292100000000, -0.0000304500000000, -0.0004450800000000 ] - [ -0.0001707100000000, -0.0000081400000000, -0.0000750500000000 ] - [ -0.0001458000000000, 0.0000027300000000, -0.0000974300000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000544700000000, -0.0000039400000000, -0.0000050300000000 ] - [ -0.0000917100000000, -0.0000001600000000, 0.0000790100000000 ] - [ -0.0000712700000000, 0.0000020700000000, 0.0000915000000000 ] - [ -0.0000955600000000, 0.0000001400000000, 0.0001424400000000 ] - [ -0.0001160400000000, 0.0000537400000000, -0.0001593300000000 ] - [ 0.0000597500000000, 0.0000022300000000, 0.0000348000000000 ] - [ -0.0005182400000000, 0.0000845300000000, -0.0007376100000000 ] - [ -0.0036269400000000, 0.0094378100000000, 0.0041370400000000 ] - [ -0.0002361600000000, -0.0000209100000000, 0.0000406300000000 ] - [ -0.0006722700000000, 0.0000610700000000, -0.0006439100000000 ] - [ 0.0000170500000000, -0.0000031600000000, 0.0000499300000000 ] - [ -0.0000852900000000, 0.0000001000000000, 0.0000683600000000 ] - [ -0.0000165000000000, 0.0000009900000000, 0.0000750700000000 ] - [ -0.0000953200000000, 0.0000003500000000, 0.0001520600000000 ] - [ 0.0013736800000000, 0.0001446100000000, 0.0006559800000000 ] - [ 0.0000578600000000, 0.0000258600000000, 0.0002500200000000 ] - [ 0.0025624400000000, 0.0089819200000000, -0.0045706800000000 ] - [ 0.0011730100000000, 0.0001266300000000, 0.0006771700000000 ] - [ 0.0000101200000000, -0.0000002300000000, -0.0000121500000000 ] - [ 0.0000081500000000, 0.0000508900000000, -0.0001649400000000 ] - [ 0.0000566800000000, -0.0000001600000000, 0.0001191600000000 ] - [ 0.0001184500000000, -0.0000009100000000, 0.0001430700000000 ] - [ 0.0000381900000000, -0.0001411800000000, 0.0001260100000000 ] - [ -0.0001762800000000, -0.0000010100000000, 0.0002134200000000 ] - [ 0.0000378000000000, 0.0001409900000000, 0.0001277700000000 ] - [ -0.0000471700000000, 0.0000578700000000, 0.0001586800000000 ] - [ -0.0013370300000000, -0.0005588300000000, 0.0021149200000000 ] - [ -0.0003039600000000, -0.0000074800000000, 0.0000901400000000 ] - [ -0.0000359900000000, -0.0000645600000000, 0.0001015900000000 ] - [ -0.0310070700000000, 0.0637861900000000, -0.0220477900000000 ] - [ -0.0001704900000000, -0.0000001700000000, 0.0001431200000000 ] - [ 0.0001391600000000, 0.0001461000000000, -0.0001565700000000 ] - [ -0.0004518300000000, 0.0025488500000000, 0.0003309700000000 ] - [ -0.0001629800000000, -0.0000084200000000, 0.0000606000000000 ] - [ 0.0054889100000000, 0.0096520900000000, 0.0035525800000000 ] - [ -0.0002066300000000, 0.0003305900000000, 0.0023821800000000 ] - [ -0.0002880200000000, -0.0065749700000000, -0.0005513900000000 ] - [ -0.0000611100000000, 0.0002453000000000, 0.0000520300000000 ] - [ 0.0002110000000000, -0.0000309800000000, 0.0001150700000000 ] - [ 0.0017009100000000, -0.0005408400000000, -0.0021448200000000 ] - [ 0.0000551300000000, 0.0000013000000000, 0.0001673400000000 ] - [ 0.0000451700000000, -0.0000010200000000, 0.0001287500000000 ] - [ 0.0000239800000000, -0.0001416800000000, 0.0001303800000000 ] - [ -0.0001465700000000, -0.0000014800000000, 0.0002095300000000 ] - [ 0.0000238800000000, 0.0001406300000000, 0.0001324600000000 ] - [ -0.0000370900000000, 0.0000642000000000, 0.0001012400000000 ] - [ -0.0017824400000000, -0.0005523400000000, -0.0015217500000000 ] - [ 0.0000889900000000, -0.0000695100000000, -0.0000204200000000 ] - [ -0.0000427500000000, -0.0000587600000000, 0.0001661200000000 ] - [ 0.0023491700000000, 0.0002674400000000, -0.0011083700000000 ] - [ -0.0001769200000000, -0.0000003900000000, 0.0001609600000000 ] - [ -0.0007078800000000, -0.0026660400000000, 0.0003472000000000 ] - [ 0.0001885300000000, -0.0001450200000000, -0.0001265400000000 ] - [ -0.0000035400000000, 0.0000015000000000, 0.0001257900000000 ] - [ 0.0005699500000000, -0.0025868600000000, -0.0008795700000000 ] - [ 0.0000178500000000, -0.0000046100000000, -0.0002930800000000 ] - [ 0.0005909900000000, 0.0024739100000000, -0.0006640700000000 ] - [ 0.0002527700000000, 0.0000406100000000, 0.0001456700000000 ] - [ -0.0000617100000000, -0.0002430000000000, 0.0000553200000000 ] - [ 0.0005177400000000, 0.0000154900000000, 0.0001441400000000 ] - [ -0.0000459400000000, 0.0001454800000000, -0.0001081400000000 ] - [ -0.0000954100000000, -0.0000001800000000, 0.0000146300000000 ] - [ -0.0000291700000000, -0.0001399400000000, -0.0000911400000000 ] - [ -0.0000208300000000, -0.0000001500000000, -0.0001045000000000 ] - [ -0.0000637200000000, -0.0000004900000000, -0.0001260200000000 ] - [ -0.0000643100000000, -0.0000007000000000, -0.0000360200000000 ] - [ 0.0000694500000000, -0.0000003500000000, -0.0002078800000000 ] - [ -0.0000661200000000, -0.0000063200000000, -0.0000928900000000 ] - [ -0.0001005100000000, 0.0000002300000000, -0.0000502500000000 ] - [ -0.0000649600000000, 0.0000002500000000, -0.0000365300000000 ] - [ -0.0000198000000000, 0.0000000300000000, -0.0000919000000000 ] - [ -0.0000661400000000, 0.0000057200000000, -0.0000935900000000 ] - [ -0.0000229800000000, 0.0000001300000000, -0.0000617500000000 ] - [ 0.0000445700000000, -0.0001322200000000, -0.0000217600000000 ] - [ -0.0000233600000000, -0.0000003600000000, -0.0001511600000000 ] - [ -0.0000171900000000, 0.0000990900000000, -0.0000359200000000 ] - [ -0.0009100100000000, 0.0020513300000000, -0.0061238700000000 ] - [ -0.0001500100000000, -0.0004356600000000, -0.0003368300000000 ] - [ 0.0005250300000000, -0.0000327400000000, -0.0004320400000000 ] - [ 0.0000267900000000, -0.0001256200000000, -0.0000802100000000 ] - [ 0.0001015500000000, -0.0000164800000000, -0.0001632000000000 ] - [ 0.0323999700000000, -0.1320026300000000, 0.0220529500000000 ] - [ -0.0002472400000000, -0.0000403000000000, 0.0001450300000000 ] - [ 0.0001774400000000, -0.0019768700000000, 0.0003794300000000 ] - [ -0.0026737900000000, 0.0035030400000000, -0.0089260400000000 ] - [ -0.0006484700000000, -0.0010094500000000, -0.0000070500000000 ] - [ -0.0098001500000000, 0.0036080600000000, 0.0005551500000000 ] - [ 0.0000521000000000, 0.0011216800000000, 0.0005962100000000 ] - [ 0.0016358800000000, 0.0021219300000000, 0.0041994500000000 ] - [ -0.0002267100000000, 0.0007454000000000, -0.0003576900000000 ] - [ 0.0043815700000000, 0.0021199800000000, 0.0003433100000000 ] - [ 0.0003365800000000, -0.0019340100000000, 0.0001064700000000 ] - [ -0.0000604400000000, 0.0000122300000000, -0.0001030000000000 ] - [ -0.0001195900000000, -0.0005187100000000, -0.0002373000000000 ] - [ -0.0000252900000000, 0.0000112400000000, 0.0000199900000000 ] - [ 0.0000608500000000, -0.0006736000000000, 0.0000883800000000 ] - [ -0.0000143000000000, 0.0000002400000000, 0.0000986700000000 ] - [ -0.0000743600000000, -0.0000032500000000, 0.0003486700000000 ] - [ 0.0000919600000000, 0.0000635000000000, -0.0000637600000000 ] - [ 0.0000864100000000, -0.0000650500000000, -0.0000620400000000 ] - [ -0.0000288400000000, 0.0001392100000000, -0.0000908200000000 ] - [ -0.0000953100000000, -0.0000001800000000, 0.0000151100000000 ] - [ -0.0000449800000000, -0.0001447800000000, -0.0001077900000000 ] - [ -0.0000059700000000, -0.0000005000000000, -0.0001208600000000 ] - [ -0.0000613900000000, -0.0000004500000000, -0.0001271600000000 ] - [ -0.0000872100000000, 0.0000053400000000, -0.0000513000000000 ] - [ 0.0000814800000000, -0.0000001800000000, -0.0002216900000000 ] - [ -0.0000655900000000, -0.0000072800000000, -0.0001016500000000 ] - [ -0.0001866200000000, 0.0000124100000000, -0.0001453600000000 ] - [ -0.0000861800000000, -0.0000050200000000, -0.0000506000000000 ] - [ -0.0000316500000000, -0.0000002000000000, -0.0000716100000000 ] - [ -0.0000656900000000, 0.0000066900000000, -0.0001023100000000 ] - [ -0.0000415100000000, -0.0000075800000000, -0.0001291900000000 ] - [ -0.0002081500000000, 0.0006624000000000, -0.0004844400000000 ] - [ -0.0000129400000000, -0.0000005900000000, -0.0001757000000000 ] - [ 0.0000322100000000, 0.0001222700000000, -0.0000901900000000 ] - [ -0.0002501600000000, -0.0000325400000000, 0.0007409500000000 ] - [ 0.0000332300000000, 0.0001312900000000, -0.0000145500000000 ] - [ -0.0001982200000000, 0.0000163800000000, 0.0000906900000000 ] - [ -0.0000176000000000, -0.0001001800000000, -0.0000355300000000 ] - [ 0.0012290900000000, 0.0017320100000000, 0.0049162900000000 ] - [ -0.0009709700000000, 0.0014746300000000, -0.0000748100000000 ] - [ -0.0001529500000000, -0.0000133300000000, -0.0001178900000000 ] - [ -0.0002038300000000, 0.0006360100000000, 0.0000863700000000 ] - [ -0.0002198600000000, -0.0000233800000000, 0.0006552700000000 ] - [ 0.0025634000000000, 0.0293381800000000, 0.0019223300000000 ] - [ -0.0064531600000000, 0.0020852000000000, 0.0013520900000000 ] - [ -0.0001165200000000, -0.0005821800000000, 0.0001401000000000 ] - [ 0.0000715800000000, -0.0000454400000000, -0.0001894800000000 ] - [ 0.0000604500000000, -0.0000539800000000, 0.0000621400000000 ] - [ 0.0049486000000000, 0.0017378700000000, -0.0001621400000000 ] - [ -0.0000259800000000, 0.0009021500000000, 0.0000447100000000 ] - [ 0.0000320500000000, 0.0000001800000000, -0.0000040100000000 ] - [ 0.0000634700000000, 0.0000528800000000, 0.0000491400000000 ] - [ 0.0007460000000000, -0.0000471900000000, -0.0004664500000000 ] - [ 0.0004944900000000, 0.0010679400000000, -0.0000764700000000 ] - [ -0.0000382100000000, -0.0000039300000000, 0.0000011600000000 ] - [ -0.0000569100000000, -0.0000056400000000, -0.0000317800000000 ] - [ 0.0000156100000000, 0.0000225400000000, -0.0000348100000000 ] - [ 0.0000163100000000, -0.0000229100000000, -0.0000357700000000 ]- atom: 82 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000119100000000, -0.0000039000000000, -0.0001516300000000 ] - [ -0.0000649000000000, 0.0000005000000000, -0.0001119100000000 ] - [ -0.0000462700000000, -0.0000018400000000, -0.0001104800000000 ] - [ -0.0001025300000000, -0.0000000200000000, -0.0000558400000000 ] - [ 0.0000997500000000, -0.0000455000000000, 0.0001313100000000 ] - [ 0.0000099400000000, -0.0000017900000000, -0.0000416100000000 ] - [ 0.0005541500000000, -0.0000835600000000, 0.0007781600000000 ] - [ 0.0032315800000000, -0.0088437300000000, -0.0035878400000000 ] - [ 0.0001864100000000, 0.0000194900000000, -0.0001184700000000 ] - [ 0.0009133100000000, -0.0000603600000000, 0.0005964100000000 ] - [ 0.0000493800000000, -0.0000045900000000, -0.0002071200000000 ] - [ -0.0000714200000000, 0.0000003700000000, -0.0001018300000000 ] - [ -0.0001006500000000, -0.0000008000000000, -0.0000939300000000 ] - [ -0.0001031100000000, -0.0000001400000000, -0.0000656200000000 ] - [ -0.0013952000000000, -0.0001437500000000, -0.0006900400000000 ] - [ 0.0000132400000000, -0.0000252400000000, -0.0002602000000000 ] - [ -0.0020907700000000, -0.0084017400000000, 0.0040462700000000 ] - [ -0.0011782900000000, -0.0001254000000000, -0.0007409100000000 ] - [ -0.0000595800000000, -0.0000008500000000, -0.0000650400000000 ] - [ 0.0002376700000000, -0.0000422900000000, 0.0001204300000000 ] - [ 0.0000610200000000, -0.0000003000000000, -0.0001551400000000 ] - [ 0.0000452900000000, 0.0000006300000000, -0.0001565700000000 ] - [ -0.0000003700000000, -0.0001568300000000, -0.0001540100000000 ] - [ -0.0001360000000000, 0.0000003900000000, -0.0000893400000000 ] - [ 0.0000001800000000, 0.0001562100000000, -0.0001516200000000 ] - [ -0.0000229400000000, 0.0001216900000000, -0.0001807300000000 ] - [ 0.0013503700000000, 0.0005387300000000, -0.0020705200000000 ] - [ 0.0002147600000000, 0.0000049400000000, -0.0000372000000000 ] - [ -0.0000343900000000, -0.0001156500000000, -0.0001228200000000 ] - [ 0.0331679100000000, -0.0669865500000000, 0.0233663400000000 ] - [ -0.0001676600000000, -0.0000002200000000, -0.0001337600000000 ] - [ -0.0000993300000000, -0.0002284000000000, 0.0001338100000000 ] - [ 0.0005166900000000, -0.0024777100000000, -0.0003450000000000 ] - [ 0.0000395000000000, 0.0000077700000000, 0.0000007200000000 ] - [ -0.0050204100000000, -0.0096053300000000, -0.0034452500000000 ] - [ 0.0001221500000000, -0.0003329400000000, -0.0024086000000000 ] - [ 0.0006202400000000, 0.0066049800000000, 0.0005602100000000 ] - [ 0.0001113400000000, -0.0002190700000000, -0.0001394000000000 ] - [ -0.0001607400000000, 0.0000038300000000, -0.0002022700000000 ] - [ -0.0016008000000000, 0.0005209900000000, 0.0021377900000000 ] - [ 0.0000623000000000, -0.0000018200000000, -0.0002033800000000 ] - [ 0.0001186800000000, 0.0000007800000000, -0.0001425000000000 ] - [ 0.0000138900000000, -0.0001563500000000, -0.0001584100000000 ] - [ -0.0001658300000000, 0.0000009100000000, -0.0000853800000000 ] - [ 0.0000141400000000, 0.0001566000000000, -0.0001563400000000 ] - [ -0.0000334700000000, 0.0001152000000000, -0.0001224500000000 ] - [ 0.0017806000000000, 0.0005564800000000, 0.0015654600000000 ] - [ -0.0001817700000000, 0.0000681200000000, 0.0000697600000000 ] - [ -0.0000271900000000, -0.0001216400000000, -0.0001881900000000 ] - [ -0.0022631600000000, -0.0002707500000000, 0.0009866700000000 ] - [ -0.0001611500000000, 0.0000000500000000, -0.0001518100000000 ] - [ 0.0007590000000000, 0.0025932700000000, -0.0003800400000000 ] - [ -0.0001465500000000, 0.0002265100000000, 0.0001041300000000 ] - [ -0.0001214000000000, -0.0000019900000000, -0.0000652500000000 ] - [ -0.0003076500000000, 0.0025691400000000, 0.0008552200000000 ] - [ -0.0000991900000000, 0.0000020900000000, 0.0002809700000000 ] - [ -0.0003061000000000, -0.0024574600000000, 0.0006453200000000 ] - [ -0.0002034600000000, -0.0000144200000000, -0.0002320700000000 ] - [ 0.0001130600000000, 0.0002158800000000, -0.0001423900000000 ] - [ -0.0004256300000000, -0.0000169200000000, -0.0001660300000000 ] - [ -0.0000043200000000, 0.0001255200000000, 0.0000985000000000 ] - [ -0.0001039200000000, -0.0000002600000000, 0.0002745000000000 ] - [ -0.0000212500000000, -0.0001322100000000, 0.0000798700000000 ] - [ -0.0000361700000000, -0.0000002600000000, 0.0000839300000000 ] - [ -0.0000890100000000, -0.0000000500000000, 0.0000497300000000 ] - [ -0.0000604700000000, -0.0000209300000000, 0.0001272800000000 ] - [ 0.0000775900000000, 0.0000000200000000, -0.0000310800000000 ] - [ -0.0000471700000000, 0.0000066200000000, 0.0000701400000000 ] - [ -0.0002025700000000, -0.0000005700000000, 0.0002093600000000 ] - [ -0.0000599900000000, 0.0000206400000000, 0.0001251300000000 ] - [ -0.0000717500000000, -0.0000004200000000, 0.0001146300000000 ] - [ -0.0000471100000000, -0.0000069700000000, 0.0000690900000000 ] - [ -0.0000380700000000, -0.0000007600000000, -0.0000000600000000 ] - [ -0.0000604500000000, 0.0000073400000000, -0.0001150600000000 ] - [ -0.0000213900000000, -0.0000000900000000, 0.0000510000000000 ] - [ 0.0000347700000000, 0.0001220900000000, 0.0000712300000000 ] - [ 0.0010596400000000, -0.0020595500000000, 0.0062396300000000 ] - [ 0.0001333100000000, 0.0005629200000000, 0.0002060300000000 ] - [ -0.0005667400000000, 0.0000347600000000, 0.0004877400000000 ] - [ -0.0000102500000000, -0.0000964000000000, 0.0001141500000000 ] - [ -0.0002648900000000, 0.0000170600000000, 0.0001988200000000 ] - [ -0.0347690400000000, 0.1340831300000000, -0.0237648500000000 ] - [ 0.0000864100000000, 0.0000373400000000, -0.0003051000000000 ] - [ -0.0000844700000000, 0.0019820600000000, -0.0002242600000000 ] - [ 0.0029166300000000, -0.0035537000000000, 0.0088236800000000 ] - [ 0.0006003600000000, 0.0009856100000000, -0.0000639000000000 ] - [ 0.0097797500000000, -0.0036594500000000, -0.0004797900000000 ] - [ 0.0000094500000000, -0.0011220300000000, -0.0003893000000000 ] - [ -0.0015807400000000, -0.0020848800000000, -0.0041975800000000 ] - [ 0.0002662800000000, -0.0007108100000000, 0.0003618500000000 ] - [ -0.0043552200000000, -0.0020830600000000, -0.0003298300000000 ] - [ -0.0001553300000000, 0.0020524200000000, -0.0001136100000000 ] - [ 0.0000257500000000, -0.0000128200000000, 0.0003527600000000 ] - [ 0.0001579600000000, 0.0004835900000000, 0.0002381800000000 ] - [ 0.0003492800000000, -0.0000116300000000, -0.0000991700000000 ] - [ 0.0001638300000000, 0.0005613400000000, -0.0001320800000000 ] - [ -0.0000081200000000, -0.0000006800000000, 0.0001256800000000 ] - [ 0.0001126100000000, 0.0000038500000000, -0.0003629400000000 ] - [ 0.0000077600000000, -0.0000130300000000, 0.0001226500000000 ] - [ 0.0000127300000000, 0.0000136400000000, 0.0001181200000000 ] - [ -0.0000213100000000, 0.0001319600000000, 0.0000810400000000 ] - [ -0.0001037500000000, -0.0000003100000000, 0.0002741500000000 ] - [ -0.0000054800000000, -0.0001269100000000, 0.0000964200000000 ] - [ -0.0000509700000000, 0.0000001400000000, 0.0001003700000000 ] - [ -0.0000914500000000, -0.0000001000000000, 0.0000508400000000 ] - [ -0.0000370300000000, -0.0000267800000000, 0.0001427700000000 ] - [ 0.0000656900000000, -0.0000001500000000, -0.0000172700000000 ] - [ -0.0000477100000000, 0.0000078400000000, 0.0000790100000000 ] - [ -0.0001154600000000, -0.0000128500000000, 0.0003062300000000 ] - [ -0.0000381600000000, 0.0000256100000000, 0.0001394900000000 ] - [ -0.0000597400000000, -0.0000001800000000, 0.0000939900000000 ] - [ -0.0000476500000000, -0.0000081300000000, 0.0000778900000000 ] - [ -0.0000190300000000, 0.0000069600000000, 0.0000683200000000 ] - [ 0.0001914900000000, -0.0007901100000000, 0.0003548600000000 ] - [ -0.0000322400000000, 0.0000001900000000, 0.0000757200000000 ] - [ -0.0000156700000000, 0.0000988200000000, 0.0001258900000000 ] - [ 0.0003800100000000, 0.0000308800000000, -0.0007146500000000 ] - [ -0.0000519700000000, -0.0000073200000000, -0.0001209900000000 ] - [ 0.0001644000000000, -0.0000169300000000, -0.0000369700000000 ] - [ 0.0000348600000000, -0.0001219200000000, 0.0000688700000000 ] - [ -0.0013972800000000, -0.0017483600000000, -0.0048672200000000 ] - [ 0.0009245100000000, -0.0014507900000000, 0.0000062500000000 ] - [ -0.0000033600000000, 0.0000130600000000, -0.0000389400000000 ] - [ 0.0002807100000000, -0.0006388400000000, 0.0001209600000000 ] - [ 0.0004826000000000, 0.0000250800000000, -0.0007246000000000 ] - [ -0.0026532400000000, -0.0293164700000000, -0.0020183200000000 ] - [ 0.0065674300000000, -0.0020938000000000, -0.0012809200000000 ] - [ 0.0001935700000000, 0.0005837000000000, 0.0000653800000000 ] - [ 0.0000135200000000, 0.0000425600000000, 0.0002067700000000 ] - [ -0.0000239900000000, 0.0000876400000000, -0.0000569800000000 ] - [ -0.0048838600000000, -0.0017538600000000, 0.0001930700000000 ] - [ 0.0002524600000000, -0.0007898600000000, -0.0000846100000000 ] - [ -0.0000669000000000, -0.0000007500000000, 0.0002538600000000 ] - [ -0.0000249700000000, -0.0000875300000000, -0.0000487000000000 ] - [ -0.0004224400000000, 0.0000458900000000, 0.0003878500000000 ] - [ -0.0002726600000000, -0.0011816200000000, 0.0000193700000000 ] - [ 0.0000159600000000, 0.0000035400000000, 0.0002232400000000 ] - [ 0.0000959500000000, 0.0000052100000000, 0.0000175300000000 ] - [ 0.0000839600000000, 0.0000280100000000, 0.0000933800000000 ] - [ 0.0000829700000000, -0.0000286100000000, 0.0000915400000000 ]- atom: 82 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0000796500000000, -0.0000133400000000, -0.0008946600000000 ] - [ 0.0000070200000000, 0.0000021000000000, -0.0008785600000000 ] - [ 0.0000481500000000, -0.0000093200000000, -0.0009171700000000 ] - [ -0.0001165700000000, -0.0000004600000000, -0.0009009900000000 ] - [ 0.0014802700000000, -0.0011360200000000, -0.0005796300000000 ] - [ 0.0000895700000000, -0.0000813600000000, -0.0006694400000000 ] - [ -0.0011524500000000, -0.0000050900000000, 0.0017591000000000 ] - [ 0.0002371600000000, 0.0020314600000000, 0.0143005000000000 ] - [ 0.0001745000000000, 0.0001048500000000, -0.0012913400000000 ] - [ -0.0021483200000000, 0.0003025900000000, -0.0010808900000000 ] - [ 0.0000649000000000, -0.0000142600000000, -0.0010888100000000 ] - [ 0.0000137800000000, 0.0000014800000000, -0.0008550200000000 ] - [ -0.0001970200000000, -0.0000073900000000, -0.0007895700000000 ] - [ -0.0001479900000000, -0.0000013100000000, -0.0009322800000000 ] - [ -0.0025284500000000, -0.0002036400000000, -0.0006802400000000 ] - [ 0.0000369400000000, -0.0001078300000000, -0.0014140800000000 ] - [ -0.0007014000000000, -0.0030707100000000, 0.0144899100000000 ] - [ -0.0009215100000000, -0.0000141900000000, 0.0019671500000000 ] - [ -0.0000444000000000, 0.0000674400000000, -0.0005997200000000 ] - [ 0.0012081300000000, 0.0009417700000000, -0.0005163700000000 ] - [ 0.0001454600000000, -0.0000040200000000, -0.0013235700000000 ] - [ -0.0001182400000000, 0.0000124100000000, -0.0014289500000000 ] - [ -0.0001015300000000, -0.0001978400000000, -0.0013243800000000 ] - [ -0.0000589200000000, 0.0000026600000000, -0.0013698900000000 ] - [ -0.0000984500000000, 0.0001976400000000, -0.0013201400000000 ] - [ -0.0001230100000000, 0.0001848100000000, -0.0014421600000000 ] - [ 0.0041668600000000, 0.0029918100000000, 0.0050406000000000 ] - [ 0.0009982900000000, 0.0002636500000000, -0.0013131600000000 ] - [ 0.0000141200000000, -0.0001317100000000, -0.0012442700000000 ] - [ 0.0127542000000000, -0.0235788200000000, 0.0194556700000000 ] - [ -0.0001283100000000, -0.0000002600000000, -0.0013608300000000 ] - [ -0.0001870300000000, -0.0001713500000000, 0.0004889500000000 ] - [ 0.0005158400000000, -0.0003616700000000, -0.0058143000000000 ] - [ 0.0002537300000000, 0.0000315200000000, -0.0017500000000000 ] - [ 0.0263755500000000, 0.0031559000000000, 0.0299125700000000 ] - [ 0.0001472400000000, -0.0007916000000000, -0.0048120000000000 ] - [ -0.0013851200000000, 0.0006405800000000, 0.0069531500000000 ] - [ 0.0004654400000000, 0.0000021700000000, -0.0015130600000000 ] - [ -0.0007011400000000, -0.0000357900000000, -0.0012552100000000 ] - [ 0.0039720700000000, -0.0026101400000000, -0.0027690400000000 ] - [ 0.0000577200000000, -0.0000089400000000, -0.0014498200000000 ] - [ 0.0001386000000000, 0.0000124400000000, -0.0015628300000000 ] - [ -0.0000749800000000, -0.0002031000000000, -0.0013654100000000 ] - [ -0.0001710800000000, 0.0000044300000000, -0.0013228700000000 ] - [ -0.0000728900000000, 0.0002030600000000, -0.0013615300000000 ] - [ 0.0000272600000000, 0.0001320000000000, -0.0012276300000000 ] - [ -0.0052518500000000, -0.0010266600000000, 0.0024241000000000 ] - [ -0.0013060900000000, 0.0002506900000000, -0.0014920300000000 ] - [ -0.0001437700000000, -0.0001838500000000, -0.0014718000000000 ] - [ -0.0018740500000000, -0.0003258200000000, 0.0034731200000000 ] - [ -0.0001271800000000, 0.0000002200000000, -0.0014387900000000 ] - [ 0.0027956200000000, 0.0004412800000000, -0.0025107300000000 ] - [ -0.0004141600000000, 0.0001684700000000, 0.0004522500000000 ] - [ -0.0003035800000000, 0.0000037500000000, -0.0008964600000000 ] - [ 0.0000119200000000, 0.0003511700000000, 0.0043066300000000 ] - [ 0.0001464200000000, -0.0002042900000000, 0.0003392300000000 ] - [ 0.0015103100000000, -0.0003132500000000, 0.0051609900000000 ] - [ -0.0009152100000000, 0.0000211200000000, -0.0013770200000000 ] - [ 0.0006016300000000, -0.0000071800000000, -0.0013389600000000 ] - [ -0.0015362400000000, -0.0000978500000000, 0.0002039900000000 ] - [ 0.0001031900000000, 0.0000942000000000, 0.0008932200000000 ] - [ -0.0001454700000000, -0.0000009800000000, 0.0013214700000000 ] - [ 0.0000309500000000, -0.0001215100000000, 0.0008636700000000 ] - [ -0.0001242500000000, -0.0000013500000000, 0.0008731100000000 ] - [ -0.0002034800000000, 0.0000008000000000, 0.0007970200000000 ] - [ -0.0000032100000000, -0.0000924100000000, 0.0008520000000000 ] - [ 0.0000497600000000, 0.0000011700000000, 0.0007823800000000 ] - [ 0.0000223600000000, 0.0000645900000000, 0.0007757200000000 ] - [ -0.0003550500000000, -0.0000104800000000, 0.0011512100000000 ] - [ -0.0000014700000000, 0.0000921400000000, 0.0008454400000000 ] - [ -0.0002072500000000, -0.0000022800000000, 0.0009077700000000 ] - [ 0.0000227800000000, -0.0000645300000000, 0.0007735300000000 ] - [ -0.0003827700000000, 0.0000110600000000, 0.0007754700000000 ] - [ -0.0008439500000000, 0.0000020300000000, 0.0004719100000000 ] - [ -0.0000808600000000, 0.0000015800000000, 0.0010257700000000 ] - [ 0.0000867300000000, 0.0001681700000000, 0.0006503100000000 ] - [ 0.0018526800000000, -0.0039523600000000, 0.0064866300000000 ] - [ 0.0008344900000000, 0.0003167300000000, 0.0013075500000000 ] - [ -0.0009502300000000, -0.0002048500000000, 0.0015101800000000 ] - [ 0.0000909000000000, -0.0002059400000000, 0.0009797000000000 ] - [ -0.0003435000000000, -0.0002094400000000, -0.0011988700000000 ] - [ -0.0447977700000000, 0.0273325300000000, -0.0924412300000000 ] - [ -0.0007100100000000, 0.0002332900000000, 0.0015545900000000 ] - [ -0.0065076200000000, -0.0003335500000000, 0.0055153700000000 ] - [ 0.0037781000000000, -0.0089705700000000, 0.0100809500000000 ] - [ 0.0007935100000000, 0.0000479400000000, -0.0016848900000000 ] - [ 0.0033892100000000, -0.0025270000000000, -0.0061642100000000 ] - [ -0.0020425400000000, 0.0004913700000000, -0.0013972800000000 ] - [ 0.0019325300000000, 0.0063573200000000, 0.0050668600000000 ] - [ 0.0011184100000000, -0.0004313900000000, 0.0020634900000000 ] - [ 0.0019081100000000, 0.0022177100000000, -0.0062920800000000 ] - [ -0.0067853500000000, -0.0000860300000000, 0.0033132500000000 ] - [ 0.0001207500000000, -0.0000550600000000, 0.0014355100000000 ] - [ 0.0007327500000000, 0.0002696500000000, 0.0014000500000000 ] - [ 0.0007251100000000, -0.0000353000000000, 0.0001853800000000 ] - [ 0.0017008100000000, 0.0000495900000000, -0.0004947200000000 ] - [ -0.0002095800000000, 0.0000149800000000, 0.0009297600000000 ] - [ -0.0005199400000000, 0.0000804500000000, 0.0013819000000000 ] - [ 0.0000377900000000, 0.0000088000000000, 0.0010306600000000 ] - [ 0.0000581700000000, -0.0000150800000000, 0.0009916100000000 ] - [ 0.0000298300000000, 0.0001218400000000, 0.0008709500000000 ] - [ -0.0001429700000000, -0.0000009500000000, 0.0013213700000000 ] - [ 0.0001010800000000, -0.0000960000000000, 0.0008823000000000 ] - [ -0.0001269200000000, -0.0000005500000000, 0.0009619000000000 ] - [ -0.0002147200000000, 0.0000007400000000, 0.0007997400000000 ] - [ 0.0001011600000000, -0.0001117200000000, 0.0008791300000000 ] - [ 0.0000488800000000, 0.0000007600000000, 0.0008508800000000 ] - [ 0.0000440100000000, 0.0000709900000000, 0.0008153800000000 ] - [ -0.0000248800000000, -0.0000342400000000, 0.0014226700000000 ] - [ 0.0000993500000000, 0.0001102500000000, 0.0008689500000000 ] - [ -0.0001981700000000, -0.0000014100000000, 0.0008040900000000 ] - [ 0.0000446300000000, -0.0000708600000000, 0.0008127300000000 ] - [ 0.0000580000000000, 0.0000332100000000, 0.0008736500000000 ] - [ 0.0012160400000000, -0.0004553000000000, 0.0019778100000000 ] - [ -0.0000658000000000, 0.0000025800000000, 0.0011518700000000 ] - [ 0.0000822700000000, 0.0002162100000000, 0.0010356300000000 ] - [ -0.0000855300000000, 0.0002364700000000, -0.0019674000000000 ] - [ -0.0004644900000000, 0.0000075400000000, 0.0000579400000000 ] - [ 0.0004959200000000, 0.0000083700000000, 0.0000607100000000 ] - [ 0.0001092300000000, -0.0001668900000000, 0.0006143700000000 ] - [ 0.0027334500000000, 0.0050101000000000, 0.0065522800000000 ] - [ 0.0013256100000000, -0.0001618000000000, -0.0015517500000000 ] - [ 0.0002726600000000, -0.0000147200000000, 0.0001960800000000 ] - [ 0.0013530300000000, 0.0000532500000000, -0.0007423800000000 ] - [ 0.0001486400000000, 0.0002768400000000, -0.0017581000000000 ] - [ -0.0022111800000000, -0.0023527100000000, -0.0072279500000000 ] - [ 0.0033471300000000, -0.0011898700000000, -0.0042058300000000 ] - [ 0.0013737200000000, 0.0000142800000000, -0.0006211300000000 ] - [ 0.0000984100000000, -0.0003543700000000, -0.0013713800000000 ] - [ -0.0005146700000000, 0.0000707400000000, 0.0004985500000000 ] - [ 0.0017238700000000, 0.0007884900000000, -0.0049929000000000 ] - [ 0.0019927100000000, 0.0000106800000000, -0.0007356300000000 ] - [ -0.0002006500000000, -0.0000189500000000, 0.0011414700000000 ] - [ -0.0002859600000000, -0.0000811600000000, 0.0001079900000000 ] - [ -0.0008600500000000, -0.0000712700000000, 0.0012556800000000 ] - [ -0.0019580900000000, -0.0000472200000000, -0.0016650300000000 ] - [ 0.0001706900000000, 0.0000416900000000, 0.0010988600000000 ] - [ 0.0003924600000000, 0.0000219300000000, 0.0003801800000000 ] - [ 0.0001548500000000, 0.0000221100000000, 0.0007361800000000 ] - [ 0.0001742600000000, -0.0000295200000000, 0.0007076900000000 ]- atom: 82 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0000150700000000, 0.0000059500000000, 0.0007403100000000 ] - [ -0.0001583200000000, -0.0000012600000000, 0.0008435100000000 ] - [ -0.0001658900000000, 0.0000098800000000, 0.0008980200000000 ] - [ -0.0000808200000000, 0.0000010100000000, 0.0009872000000000 ] - [ -0.0014907100000000, 0.0011324800000000, 0.0005508800000000 ] - [ -0.0000189100000000, 0.0000814500000000, 0.0006633000000000 ] - [ 0.0011923700000000, 0.0000069000000000, -0.0017339000000000 ] - [ -0.0005123500000000, -0.0016028300000000, -0.0140511000000000 ] - [ -0.0002212600000000, -0.0001066100000000, 0.0012175400000000 ] - [ 0.0024026100000000, -0.0003056300000000, 0.0010361800000000 ] - [ -0.0000001600000000, 0.0000069100000000, 0.0009351800000000 ] - [ -0.0001652400000000, -0.0000006600000000, 0.0008198900000000 ] - [ 0.0000789200000000, 0.0000079400000000, 0.0007707200000000 ] - [ -0.0000497700000000, 0.0000019100000000, 0.0010183200000000 ] - [ 0.0025051400000000, 0.0002039000000000, 0.0006516800000000 ] - [ 0.0000335100000000, 0.0001079800000000, 0.0014041800000000 ] - [ 0.0009892700000000, 0.0034453500000000, -0.0147009100000000 ] - [ 0.0009299300000000, 0.0000168300000000, -0.0020095800000000 ] - [ -0.0000015500000000, -0.0000687200000000, 0.0005229400000000 ] - [ -0.0009652100000000, -0.0009429500000000, 0.0004693000000000 ] - [ -0.0000223500000000, 0.0000041000000000, 0.0012906300000000 ] - [ 0.0002792000000000, -0.0000121100000000, 0.0014242200000000 ] - [ 0.0001342300000000, -0.0001044000000000, 0.0012953000000000 ] - [ -0.0002526100000000, -0.0000028700000000, 0.0014914100000000 ] - [ 0.0001312100000000, 0.0001048000000000, 0.0012950800000000 ] - [ 0.0000535700000000, -0.0000044600000000, 0.0014205700000000 ] - [ -0.0041574100000000, -0.0029826800000000, -0.0049652100000000 ] - [ -0.0010830600000000, -0.0002625900000000, 0.0013665400000000 ] - [ -0.0000834200000000, -0.0000482300000000, 0.0012234800000000 ] - [ -0.0124558400000000, 0.0231346600000000, -0.0197059200000000 ] - [ -0.0002143600000000, 0.0000006700000000, 0.0013687400000000 ] - [ 0.0002320800000000, 0.0000883600000000, -0.0005054100000000 ] - [ -0.0004641700000000, 0.0004424900000000, 0.0057523200000000 ] - [ -0.0003795800000000, -0.0000311000000000, 0.0018077100000000 ] - [ -0.0277235500000000, -0.0033183200000000, -0.0307768800000000 ] - [ -0.0002247200000000, 0.0007981200000000, 0.0048101500000000 ] - [ 0.0016580600000000, -0.0006157800000000, -0.0070526200000000 ] - [ -0.0004189700000000, 0.0000216900000000, 0.0014285300000000 ] - [ 0.0007525500000000, 0.0000123200000000, 0.0011682700000000 ] - [ -0.0039071200000000, 0.0026226300000000, 0.0027507100000000 ] - [ 0.0000659600000000, 0.0000089300000000, 0.0014173100000000 ] - [ 0.0000214000000000, -0.0000120800000000, 0.0015578100000000 ] - [ 0.0001079300000000, -0.0000987700000000, 0.0013364900000000 ] - [ -0.0001404000000000, -0.0000043300000000, 0.0014442700000000 ] - [ 0.0001058000000000, 0.0000990500000000, 0.0013366300000000 ] - [ -0.0000966200000000, 0.0000481900000000, 0.0012070400000000 ] - [ 0.0052238100000000, 0.0010136400000000, -0.0023565300000000 ] - [ 0.0012127900000000, -0.0002495700000000, 0.0015442900000000 ] - [ 0.0000739700000000, 0.0000037400000000, 0.0014497100000000 ] - [ 0.0019689900000000, 0.0003223400000000, -0.0035772000000000 ] - [ -0.0002151500000000, 0.0000001300000000, 0.0014458700000000 ] - [ -0.0027349700000000, -0.0005234100000000, 0.0024839800000000 ] - [ 0.0004587700000000, -0.0000853000000000, -0.0004685000000000 ] - [ 0.0001757100000000, -0.0000036000000000, 0.0009579700000000 ] - [ 0.0002647100000000, -0.0003828800000000, -0.0043663100000000 ] - [ -0.0002242900000000, 0.0002049300000000, -0.0003580100000000 ] - [ -0.0012265300000000, 0.0003447500000000, -0.0052244100000000 ] - [ 0.0009674800000000, 0.0000024900000000, 0.0012919900000000 ] - [ -0.0005553800000000, -0.0000165200000000, 0.0012527900000000 ] - [ 0.0016292900000000, 0.0001005900000000, -0.0002396200000000 ] - [ -0.0001534300000000, 0.0001702900000000, -0.0008973400000000 ] - [ -0.0000586800000000, 0.0000011100000000, -0.0010383200000000 ] - [ -0.0000808100000000, -0.0001434400000000, -0.0008691800000000 ] - [ 0.0000609100000000, 0.0000015400000000, -0.0008891000000000 ] - [ 0.0000551000000000, -0.0000008300000000, -0.0008729300000000 ] - [ -0.0001225700000000, 0.0000720200000000, -0.0007616100000000 ] - [ 0.0001008300000000, -0.0000010900000000, -0.0010184900000000 ] - [ -0.0001334200000000, -0.0000681100000000, -0.0007995300000000 ] - [ 0.0000518100000000, 0.0000105600000000, -0.0009918600000000 ] - [ -0.0001246600000000, -0.0000714500000000, -0.0007579000000000 ] - [ 0.0001160900000000, 0.0000023500000000, -0.0008869100000000 ] - [ -0.0001337600000000, 0.0000681000000000, -0.0007991200000000 ] - [ 0.0003222700000000, -0.0000110900000000, -0.0008370000000000 ] - [ 0.0008197400000000, -0.0001221000000000, -0.0006077700000000 ] - [ 0.0000373200000000, -0.0000016000000000, -0.0011220700000000 ] - [ -0.0000695700000000, 0.0000542400000000, -0.0006159100000000 ] - [ -0.0017053700000000, 0.0039098600000000, -0.0063931600000000 ] - [ -0.0008514400000000, -0.0001949900000000, -0.0014427600000000 ] - [ 0.0009126200000000, 0.0002044600000000, -0.0014547600000000 ] - [ -0.0000735000000000, -0.0000157000000000, -0.0009455900000000 ] - [ 0.0001712500000000, 0.0002079000000000, 0.0012285300000000 ] - [ 0.0462199800000000, -0.0275803200000000, 0.0933106300000000 ] - [ 0.0005478100000000, -0.0002327600000000, -0.0017115000000000 ] - [ 0.0065163300000000, 0.0003439600000000, -0.0052645600000000 ] - [ -0.0035586700000000, 0.0091117900000000, -0.0102747400000000 ] - [ -0.0008485200000000, -0.0000787600000000, 0.0016115400000000 ] - [ -0.0033287700000000, 0.0025201200000000, 0.0062737200000000 ] - [ 0.0021095900000000, -0.0004976100000000, 0.0015869300000000 ] - [ -0.0018739900000000, -0.0064419100000000, -0.0051097000000000 ] - [ -0.0010850800000000, 0.0004729600000000, -0.0020704500000000 ] - [ -0.0018350400000000, -0.0022116500000000, 0.0063346700000000 ] - [ 0.0070660000000000, 0.0002098500000000, -0.0033724300000000 ] - [ -0.0001541400000000, 0.0000556600000000, -0.0011862200000000 ] - [ -0.0006960300000000, -0.0003090600000000, -0.0014026900000000 ] - [ -0.0004043500000000, 0.0000361100000000, -0.0002613200000000 ] - [ -0.0014577700000000, -0.0001702400000000, 0.0004755500000000 ] - [ 0.0001913200000000, -0.0000151400000000, -0.0007049100000000 ] - [ 0.0005567900000000, -0.0000799100000000, -0.0014038000000000 ] - [ 0.0000594600000000, 0.0000441200000000, -0.0009699900000000 ] - [ 0.0000382400000000, -0.0000377700000000, -0.0009333800000000 ] - [ -0.0000793200000000, 0.0001431700000000, -0.0008752800000000 ] - [ -0.0000605700000000, 0.0000009500000000, -0.0010379700000000 ] - [ -0.0001514200000000, -0.0001681800000000, -0.0008879500000000 ] - [ 0.0000637900000000, 0.0000007200000000, -0.0009781000000000 ] - [ 0.0000661900000000, -0.0000008400000000, -0.0008755100000000 ] - [ -0.0002265400000000, 0.0000918600000000, -0.0007890600000000 ] - [ 0.0001019800000000, -0.0000006000000000, -0.0010870400000000 ] - [ -0.0001551500000000, -0.0000744100000000, -0.0008391700000000 ] - [ -0.0002763000000000, 0.0000340300000000, -0.0012617000000000 ] - [ -0.0002247500000000, -0.0000902300000000, -0.0007815300000000 ] - [ 0.0001069100000000, 0.0000015300000000, -0.0007834300000000 ] - [ -0.0001558600000000, 0.0000743100000000, -0.0008385100000000 ] - [ -0.0001169300000000, -0.0000331000000000, -0.0009343800000000 ] - [ -0.0012292000000000, 0.0003341600000000, -0.0021056100000000 ] - [ 0.0000223700000000, -0.0000024100000000, -0.0012477200000000 ] - [ -0.0000647600000000, 0.0000057400000000, -0.0009992300000000 ] - [ 0.0002121100000000, -0.0002348600000000, 0.0019862800000000 ] - [ 0.0004421200000000, 0.0001124900000000, -0.0001983000000000 ] - [ -0.0005260700000000, -0.0000080400000000, -0.0000113200000000 ] - [ -0.0000922500000000, -0.0000552900000000, -0.0005826300000000 ] - [ -0.0028776300000000, -0.0049375500000000, -0.0064391800000000 ] - [ -0.0013814600000000, 0.0001937400000000, 0.0014807100000000 ] - [ -0.0004289400000000, 0.0000144600000000, -0.0003593000000000 ] - [ -0.0012739300000000, -0.0000481800000000, 0.0009394000000000 ] - [ 0.0001139300000000, -0.0002780200000000, 0.0017059000000000 ] - [ 0.0021730500000000, 0.0022864400000000, 0.0071638200000000 ] - [ -0.0033507400000000, 0.0011940000000000, 0.0042809500000000 ] - [ -0.0012933300000000, -0.0000182700000000, 0.0008182300000000 ] - [ -0.0000170100000000, 0.0003561600000000, 0.0013968100000000 ] - [ 0.0005560700000000, -0.0000331400000000, -0.0004959700000000 ] - [ -0.0017113800000000, -0.0008036400000000, 0.0050158200000000 ] - [ -0.0017769300000000, 0.0001112600000000, 0.0007045800000000 ] - [ 0.0001687300000000, 0.0000192100000000, -0.0008908000000000 ] - [ 0.0003265200000000, 0.0000436200000000, -0.0001054200000000 ] - [ 0.0011885700000000, 0.0000706200000000, -0.0013370300000000 ] - [ 0.0021877100000000, -0.0000755100000000, 0.0016332200000000 ] - [ -0.0001908500000000, -0.0000421100000000, -0.0008745000000000 ] - [ -0.0003601200000000, -0.0000224500000000, -0.0003980100000000 ] - [ -0.0000581400000000, 0.0000310500000000, -0.0006742900000000 ] - [ -0.0000778800000000, -0.0000235600000000, -0.0006482100000000 ]- atom: 83 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0000210600000000, 0.0000000000000000, -0.0000065500000000 ] - [ 0.0000042400000000, 0.0000000000000000, -0.0000314600000000 ] - [ 0.0016460900000000, 0.0000000000000000, -0.0005971200000000 ] - [ -0.0000516100000000, 0.0000000000000000, 0.0003030100000000 ] - [ 0.0141960200000000, 0.0000000000000000, 0.0027265000000000 ] - [ -0.0036179600000000, 0.0000000000000000, 0.0014876200000000 ] - [ -0.0001787000000000, 0.0000000000000000, -0.0001562500000000 ] - [ 0.0029401800000000, 0.0000000000000000, -0.0000545100000000 ] - [ 0.0000000500000000, 0.0000000000000000, 0.0000093000000000 ] - [ 0.0001939000000000, 0.0000000000000000, -0.0000338500000000 ] - [ 0.0000424000000000, 0.0000000000000000, -0.0000399600000000 ] - [ -0.0001746900000000, 0.0000000000000000, 0.0000898100000000 ] - [ -0.0013421200000000, 0.0000000000000000, -0.0000137200000000 ] - [ -0.0002272500000000, 0.0000000000000000, -0.0001328500000000 ] - [ -0.0025556600000000, 0.0000000000000000, 0.0026346500000000 ] - [ 0.0020973100000000, 0.0000000000000000, -0.0023066700000000 ] - [ 0.0001846100000000, 0.0000000000000000, 0.0004230300000000 ] - [ -0.0010364100000000, 0.0000000000000000, 0.0000437200000000 ] - [ -0.0000484700000000, 0.0000000000000000, 0.0000171200000000 ] - [ 0.0000761300000000, 0.0000000000000000, 0.0001066000000000 ] - [ 0.0000200300000000, 0.0000000000000000, 0.0000913200000000 ] - [ 0.0001072300000000, 0.0000000000000000, 0.0000831200000000 ] - [ 0.0001135700000000, -0.0001552200000000, 0.0001263300000000 ] - [ 0.0007389300000000, 0.0000000000000000, 0.0001339800000000 ] - [ 0.0001135700000000, 0.0001552200000000, 0.0001263300000000 ] - [ -0.0003654900000000, 0.0002032200000000, -0.0013923600000000 ] - [ -0.0003286800000000, 0.0000000000000000, -0.0012989800000000 ] - [ 0.0028623500000000, 0.0000000000000000, 0.0021079600000000 ] - [ -0.0006724800000000, -0.0012970400000000, 0.0016940000000000 ] - [ 0.0004932800000000, 0.0000000000000000, 0.0010743500000000 ] - [ -0.0002998700000000, 0.0000000000000000, 0.0005910400000000 ] - [ -0.0045564600000000, 0.0002129700000000, -0.0017861500000000 ] - [ 0.0195605800000000, -0.0155531300000000, -0.0105564200000000 ] - [ 0.0086077700000000, 0.0000000000000000, 0.0072993500000000 ] - [ 0.0007600200000000, 0.0000858000000000, -0.0002821400000000 ] - [ 0.0000160300000000, 0.0000000000000000, 0.0000837700000000 ] - [ 0.0007600200000000, -0.0000858000000000, -0.0002821400000000 ] - [ 0.0000097300000000, 0.0000034900000000, 0.0000605900000000 ] - [ 0.0000462900000000, -0.0000139100000000, 0.0000118600000000 ] - [ 0.0001483400000000, 0.0000000000000000, 0.0001771100000000 ] - [ 0.0000976700000000, 0.0000000000000000, 0.0000357900000000 ] - [ 0.0000601300000000, 0.0000000000000000, 0.0000820000000000 ] - [ -0.0000712300000000, -0.0001126600000000, 0.0000094700000000 ] - [ -0.0008619400000000, 0.0000000000000000, 0.0001258800000000 ] - [ -0.0000712300000000, 0.0001126600000000, 0.0000094700000000 ] - [ -0.0006724800000000, 0.0012970400000000, 0.0016940000000000 ] - [ -0.0039817300000000, 0.0000000000000000, 0.0016239800000000 ] - [ -0.0079682900000000, 0.0000000000000000, -0.0030535300000000 ] - [ -0.0003654900000000, -0.0002032200000000, -0.0013923600000000 ] - [ -0.0004049600000000, 0.0000000000000000, -0.0012012600000000 ] - [ 0.0000208500000000, 0.0000000000000000, -0.0003536300000000 ] - [ 0.0195605800000000, 0.0155531300000000, -0.0105564200000000 ] - [ -0.0045564600000000, -0.0002129700000000, -0.0017861500000000 ] - [ -0.0029600000000000, 0.0000000000000000, -0.0000022200000000 ] - [ -0.0003746700000000, -0.0002117200000000, 0.0002872700000000 ] - [ -0.0001040100000000, 0.0000000000000000, 0.0000703200000000 ] - [ -0.0003746700000000, 0.0002117200000000, 0.0002872700000000 ] - [ 0.0000462900000000, 0.0000139100000000, 0.0000118600000000 ] - [ 0.0000097300000000, -0.0000034900000000, 0.0000605900000000 ] - [ -0.0001093300000000, 0.0000000000000000, -0.0000346300000000 ] - [ -0.0000664700000000, 0.0001425400000000, -0.0000531400000000 ] - [ -0.0002172400000000, 0.0000000000000000, 0.0000290700000000 ] - [ 0.0000042200000000, -0.0001284800000000, -0.0000624500000000 ] - [ -0.0000291500000000, 0.0000000000000000, -0.0001004900000000 ] - [ 0.0001566400000000, 0.0000000000000000, -0.0001371700000000 ] - [ -0.0008242100000000, -0.0001017200000000, -0.0003939000000000 ] - [ 0.0000592800000000, 0.0000000000000000, -0.0002186900000000 ] - [ -0.0000997600000000, -0.0000511100000000, -0.0002121400000000 ] - [ -0.0009390800000000, 0.0000000000000000, -0.0010650100000000 ] - [ -0.0008242100000000, 0.0001017200000000, -0.0003939000000000 ] - [ -0.0003636100000000, 0.0000000000000000, 0.0005504000000000 ] - [ -0.0000997600000000, 0.0000511100000000, -0.0002121400000000 ] - [ 0.0024987100000000, 0.0000000000000000, -0.0054987800000000 ] - [ 0.0085367100000000, 0.0048303100000000, 0.0004187000000000 ] - [ 0.0005658100000000, 0.0000000000000000, -0.0011085200000000 ] - [ 0.0014450800000000, 0.0004244700000000, -0.0003401600000000 ] - [ -0.0006052500000000, 0.0000000000000000, -0.0015117700000000 ] - [ 0.0070180800000000, -0.0043357900000000, 0.0008074400000000 ] - [ -0.0058959400000000, 0.0000000000000000, 0.0014119000000000 ] - [ -0.0014319700000000, -0.0011147800000000, 0.0020201200000000 ] - [ 0.0010204300000000, 0.0000000000000000, 0.0012173700000000 ] - [ -0.0008892700000000, -0.0001547900000000, -0.0005419500000000 ] - [ -0.0773036200000000, 0.0000000000000000, 0.0097250500000000 ] - [ -0.0027852600000000, 0.0028667000000000, 0.0043172600000000 ] - [ -0.0000194900000000, 0.0000000000000000, -0.0001484000000000 ] - [ 0.0004919100000000, 0.0000627400000000, 0.0002446300000000 ] - [ -0.0002734900000000, 0.0000000000000000, 0.0005595800000000 ] - [ -0.0027852600000000, -0.0028667000000000, 0.0043172600000000 ] - [ -0.0001693300000000, 0.0000000000000000, -0.0000239400000000 ] - [ -0.0000183600000000, 0.0000249900000000, -0.0000369800000000 ] - [ -0.0000359700000000, 0.0000000000000000, 0.0011181300000000 ] - [ 0.0000537700000000, -0.0000017000000000, -0.0002183500000000 ] - [ -0.0000272200000000, 0.0000000000000000, 0.0000696400000000 ] - [ -0.0000183600000000, -0.0000249900000000, -0.0000369800000000 ] - [ 0.0001810600000000, 0.0000000000000000, -0.0000563500000000 ] - [ 0.0001642400000000, -0.0001043900000000, 0.0001133800000000 ] - [ 0.0000041300000000, 0.0000000000000000, 0.0000474500000000 ] - [ 0.0000083700000000, 0.0000000000000000, -0.0001226900000000 ] - [ 0.0000423600000000, 0.0000234000000000, -0.0000239800000000 ] - [ 0.0000423600000000, -0.0000234000000000, -0.0000239800000000 ] - [ 0.0000042200000000, 0.0001284800000000, -0.0000624500000000 ] - [ 0.0000154200000000, 0.0000000000000000, 0.0001459500000000 ] - [ -0.0000664700000000, -0.0001425400000000, -0.0000531400000000 ] - [ -0.0000181900000000, 0.0000000000000000, -0.0000249400000000 ] - [ -0.0002611900000000, 0.0000000000000000, -0.0000905800000000 ] - [ 0.0004865400000000, -0.0000893500000000, 0.0003535700000000 ] - [ 0.0000968400000000, 0.0000000000000000, -0.0001366600000000 ] - [ -0.0000213900000000, 0.0000357000000000, 0.0001101100000000 ] - [ 0.0006936100000000, 0.0000000000000000, 0.0018185100000000 ] - [ 0.0004865400000000, 0.0000893500000000, 0.0003535700000000 ] - [ 0.0002971700000000, 0.0000000000000000, -0.0003967500000000 ] - [ -0.0000213900000000, -0.0000357000000000, 0.0001101100000000 ] - [ 0.0010445700000000, 0.0000000000000000, 0.0011760200000000 ] - [ 0.0070180800000000, 0.0043357900000000, 0.0008074400000000 ] - [ -0.0000854800000000, 0.0000000000000000, 0.0007294900000000 ] - [ -0.0014319700000000, 0.0011147800000000, 0.0020201200000000 ] - [ 0.0016180200000000, 0.0000000000000000, 0.0017938800000000 ] - [ 0.0085367100000000, -0.0048303100000000, 0.0004187000000000 ] - [ 0.0040141900000000, 0.0000000000000000, -0.0004376500000000 ] - [ 0.0014450800000000, -0.0004244700000000, -0.0003401600000000 ] - [ 0.0031212100000000, 0.0000000000000000, -0.0085743000000000 ] - [ 0.0004919100000000, -0.0000627400000000, 0.0002446300000000 ] - [ 0.0037411900000000, 0.0000000000000000, -0.0000960500000000 ] - [ 0.0018941700000000, 0.0003549400000000, -0.0001420600000000 ] - [ 0.0002736000000000, 0.0000000000000000, -0.0000565800000000 ] - [ -0.0008892700000000, 0.0001547900000000, -0.0005419500000000 ] - [ 0.0003569200000000, 0.0000000000000000, -0.0003179300000000 ] - [ 0.0018941700000000, -0.0003549400000000, -0.0001420600000000 ] - [ 0.0002872500000000, 0.0000000000000000, -0.0001255700000000 ] - [ 0.0000410200000000, 0.0000150500000000, -0.0000602100000000 ] - [ 0.0006115000000000, 0.0000000000000000, -0.0011186800000000 ] - [ 0.0001642400000000, 0.0001043900000000, 0.0001133800000000 ] - [ -0.0000038900000000, 0.0000000000000000, 0.0000478400000000 ] - [ 0.0000410200000000, -0.0000150500000000, -0.0000602100000000 ] - [ 0.0001582300000000, 0.0000000000000000, -0.0001191700000000 ] - [ 0.0000537700000000, 0.0000017000000000, -0.0002183500000000 ] - [ -0.0000217300000000, 0.0000000000000000, 0.0000687200000000 ] - [ 0.0000433100000000, 0.0000000000000000, -0.0000292000000000 ] - [ 0.0000484700000000, 0.0000256400000000, -0.0000210000000000 ] - [ 0.0000484700000000, -0.0000256400000000, -0.0000210000000000 ]- atom: 83 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0000449600000000, 0.0000000000000000, -0.0001477900000000 ] - [ -0.0001607500000000, 0.0000000000000000, 0.0000001600000000 ] - [ -0.0017782300000000, 0.0000000000000000, 0.0005870900000000 ] - [ -0.0001484800000000, 0.0000000000000000, -0.0002152600000000 ] - [ -0.0154021200000000, 0.0000000000000000, -0.0036436900000000 ] - [ 0.0037008400000000, 0.0000000000000000, -0.0015139700000000 ] - [ 0.0002202900000000, 0.0000000000000000, 0.0001956400000000 ] - [ -0.0029280700000000, 0.0000000000000000, -0.0000116200000000 ] - [ -0.0000498900000000, 0.0000000000000000, -0.0000852300000000 ] - [ 0.0000502700000000, 0.0000000000000000, -0.0000088100000000 ] - [ 0.0000239100000000, 0.0000000000000000, -0.0001145500000000 ] - [ 0.0000182500000000, 0.0000000000000000, -0.0001224400000000 ] - [ 0.0012262400000000, 0.0000000000000000, -0.0000084500000000 ] - [ 0.0000316600000000, 0.0000000000000000, 0.0002202200000000 ] - [ 0.0025421300000000, 0.0000000000000000, -0.0026474100000000 ] - [ -0.0019950500000000, 0.0000000000000000, 0.0022803200000000 ] - [ -0.0001394500000000, 0.0000000000000000, -0.0003841500000000 ] - [ 0.0010393100000000, 0.0000000000000000, -0.0000997900000000 ] - [ -0.0000015300000000, 0.0000000000000000, -0.0000926600000000 ] - [ 0.0001684400000000, 0.0000000000000000, -0.0001489700000000 ] - [ 0.0000987100000000, 0.0000000000000000, -0.0001245400000000 ] - [ 0.0000557200000000, 0.0000000000000000, -0.0000924900000000 ] - [ -0.0000773300000000, -0.0001429100000000, -0.0001499800000000 ] - [ -0.0010551700000000, 0.0000000000000000, -0.0000028000000000 ] - [ -0.0000773300000000, 0.0001429100000000, -0.0001499800000000 ] - [ 0.0003165100000000, -0.0000198400000000, 0.0013724600000000 ] - [ 0.0003067400000000, 0.0000000000000000, 0.0013400600000000 ] - [ -0.0029924900000000, 0.0000000000000000, -0.0020637500000000 ] - [ 0.0005959900000000, 0.0011145000000000, -0.0017181800000000 ] - [ -0.0003859000000000, 0.0000000000000000, -0.0012000300000000 ] - [ -0.0000393900000000, 0.0000000000000000, -0.0005815800000000 ] - [ 0.0046060700000000, -0.0002959800000000, 0.0017789000000000 ] - [ -0.0194901900000000, 0.0152385800000000, 0.0102156600000000 ] - [ -0.0088534400000000, 0.0000000000000000, -0.0076907400000000 ] - [ -0.0004875800000000, -0.0001129700000000, 0.0002438200000000 ] - [ -0.0000983600000000, 0.0000000000000000, -0.0000957700000000 ] - [ -0.0004875800000000, 0.0001129700000000, 0.0002438200000000 ] - [ 0.0000404600000000, 0.0000226600000000, -0.0001446600000000 ] - [ 0.0000036300000000, -0.0000121900000000, -0.0000960200000000 ] - [ -0.0000519300000000, 0.0000000000000000, -0.0001984600000000 ] - [ 0.0000211100000000, 0.0000000000000000, -0.0000687600000000 ] - [ 0.0001031900000000, 0.0000000000000000, -0.0000917900000000 ] - [ 0.0001094900000000, -0.0001853900000000, -0.0000335300000000 ] - [ 0.0005510400000000, 0.0000000000000000, -0.0000029000000000 ] - [ 0.0001094900000000, 0.0001853900000000, -0.0000335300000000 ] - [ 0.0005959900000000, -0.0011145000000000, -0.0017181800000000 ] - [ 0.0039884000000000, 0.0000000000000000, -0.0015736000000000 ] - [ 0.0078302500000000, 0.0000000000000000, 0.0030780000000000 ] - [ 0.0003165100000000, 0.0000198400000000, 0.0013724600000000 ] - [ 0.0005020000000000, 0.0000000000000000, 0.0010830500000000 ] - [ -0.0003594600000000, 0.0000000000000000, 0.0003690000000000 ] - [ -0.0194901900000000, -0.0152385800000000, 0.0102156600000000 ] - [ 0.0046060700000000, 0.0002959800000000, 0.0017789000000000 ] - [ 0.0028397000000000, 0.0000000000000000, 0.0000465600000000 ] - [ 0.0006470200000000, 0.0001835800000000, -0.0003210600000000 ] - [ 0.0000220300000000, 0.0000000000000000, -0.0000822100000000 ] - [ 0.0006470200000000, -0.0001835800000000, -0.0003210600000000 ] - [ 0.0000036300000000, 0.0000121900000000, -0.0000960200000000 ] - [ 0.0000404600000000, -0.0000226600000000, -0.0001446600000000 ] - [ 0.0002031100000000, 0.0000000000000000, 0.0000135300000000 ] - [ 0.0000159000000000, 0.0001294900000000, 0.0000411600000000 ] - [ 0.0000187200000000, 0.0000000000000000, 0.0002576000000000 ] - [ -0.0000547700000000, -0.0001436700000000, 0.0000507900000000 ] - [ -0.0000277800000000, 0.0000000000000000, 0.0000787300000000 ] - [ -0.0003085100000000, 0.0000000000000000, 0.0000605100000000 ] - [ 0.0007041400000000, 0.0000801700000000, 0.0004826400000000 ] - [ 0.0000874300000000, 0.0000000000000000, -0.0000207300000000 ] - [ -0.0000138100000000, 0.0000505400000000, 0.0001874300000000 ] - [ 0.0006440600000000, 0.0000000000000000, 0.0012306000000000 ] - [ 0.0007041400000000, -0.0000801700000000, 0.0004826400000000 ] - [ 0.0002685100000000, 0.0000000000000000, -0.0005329800000000 ] - [ -0.0000138100000000, -0.0000505400000000, 0.0001874300000000 ] - [ -0.0025493600000000, 0.0000000000000000, 0.0054653700000000 ] - [ -0.0086410300000000, -0.0050181300000000, -0.0005542000000000 ] - [ -0.0006093200000000, 0.0000000000000000, 0.0010122800000000 ] - [ -0.0014279900000000, -0.0002023200000000, 0.0003812300000000 ] - [ 0.0007128800000000, 0.0000000000000000, 0.0015463200000000 ] - [ -0.0069705900000000, 0.0043908100000000, -0.0009369400000000 ] - [ 0.0058640900000000, 0.0000000000000000, -0.0013589200000000 ] - [ 0.0014271400000000, 0.0009096000000000, -0.0020068300000000 ] - [ -0.0011775100000000, 0.0000000000000000, -0.0011930400000000 ] - [ 0.0008335900000000, 0.0001785900000000, 0.0004740500000000 ] - [ 0.0784779700000000, 0.0000000000000000, -0.0078275000000000 ] - [ 0.0028849800000000, -0.0028586300000000, -0.0041005500000000 ] - [ 0.0002792100000000, 0.0000000000000000, 0.0000852000000000 ] - [ -0.0005444200000000, -0.0000875600000000, -0.0003160200000000 ] - [ 0.0002968100000000, 0.0000000000000000, -0.0004761600000000 ] - [ 0.0028849800000000, 0.0028586300000000, -0.0041005500000000 ] - [ 0.0002552800000000, 0.0000000000000000, 0.0000441800000000 ] - [ 0.0000568000000000, 0.0000073300000000, 0.0000384700000000 ] - [ 0.0000903200000000, 0.0000000000000000, -0.0010751500000000 ] - [ 0.0001664600000000, 0.0001133100000000, 0.0001741300000000 ] - [ -0.0000083100000000, 0.0000000000000000, 0.0001783200000000 ] - [ 0.0000568000000000, -0.0000073300000000, 0.0000384700000000 ] - [ 0.0001412400000000, 0.0000000000000000, -0.0000245100000000 ] - [ 0.0000574300000000, -0.0000075300000000, -0.0001565800000000 ] - [ -0.0000266100000000, 0.0000000000000000, 0.0001753600000000 ] - [ 0.0000313400000000, 0.0000000000000000, 0.0001059200000000 ] - [ 0.0000566800000000, 0.0000272600000000, 0.0000796400000000 ] - [ 0.0000566800000000, -0.0000272600000000, 0.0000796400000000 ] - [ -0.0000547700000000, 0.0001436700000000, 0.0000507900000000 ] - [ -0.0002146900000000, 0.0000000000000000, 0.0001427200000000 ] - [ 0.0000159000000000, -0.0001294900000000, 0.0000411600000000 ] - [ -0.0000393100000000, 0.0000000000000000, 0.0000030700000000 ] - [ 0.0001112600000000, 0.0000000000000000, 0.0000121600000000 ] - [ -0.0006132900000000, 0.0000681100000000, -0.0002623600000000 ] - [ 0.0000493600000000, 0.0000000000000000, -0.0001030800000000 ] - [ -0.0000942100000000, -0.0000368800000000, -0.0001365300000000 ] - [ -0.0010027800000000, 0.0000000000000000, -0.0016462100000000 ] - [ -0.0006132900000000, -0.0000681100000000, -0.0002623600000000 ] - [ -0.0003873100000000, 0.0000000000000000, 0.0004196000000000 ] - [ -0.0000942100000000, 0.0000368800000000, -0.0001365300000000 ] - [ -0.0011163600000000, 0.0000000000000000, -0.0012257700000000 ] - [ -0.0069705900000000, -0.0043908100000000, -0.0009369400000000 ] - [ 0.0000369000000000, 0.0000000000000000, -0.0008391800000000 ] - [ 0.0014271400000000, -0.0009096000000000, -0.0020068300000000 ] - [ -0.0014899000000000, 0.0000000000000000, -0.0017813600000000 ] - [ -0.0086410300000000, 0.0050181300000000, -0.0005542000000000 ] - [ -0.0040517400000000, 0.0000000000000000, 0.0004917800000000 ] - [ -0.0014279900000000, 0.0002023200000000, 0.0003812300000000 ] - [ -0.0032829500000000, 0.0000000000000000, 0.0085284100000000 ] - [ -0.0005444200000000, 0.0000875600000000, -0.0003160200000000 ] - [ -0.0039039100000000, 0.0000000000000000, -0.0000575800000000 ] - [ -0.0018221800000000, -0.0003561200000000, 0.0003409300000000 ] - [ -0.0000134300000000, 0.0000000000000000, -0.0000081900000000 ] - [ 0.0008335900000000, -0.0001785900000000, 0.0004740500000000 ] - [ -0.0003385700000000, 0.0000000000000000, 0.0003974400000000 ] - [ -0.0018221800000000, 0.0003561200000000, 0.0003409300000000 ] - [ -0.0002000300000000, 0.0000000000000000, 0.0001446100000000 ] - [ -0.0000026200000000, 0.0000173600000000, 0.0000613500000000 ] - [ -0.0005596300000000, 0.0000000000000000, 0.0011533300000000 ] - [ 0.0000574300000000, 0.0000075300000000, -0.0001565800000000 ] - [ -0.0000315400000000, 0.0000000000000000, 0.0002002000000000 ] - [ -0.0000026200000000, -0.0000173600000000, 0.0000613500000000 ] - [ 0.0001635500000000, 0.0000000000000000, 0.0000384100000000 ] - [ 0.0001664600000000, -0.0001133100000000, 0.0001741300000000 ] - [ -0.0000008800000000, 0.0000000000000000, 0.0001541800000000 ] - [ -0.0000032700000000, 0.0000000000000000, 0.0000128600000000 ] - [ 0.0000508200000000, 0.0000251000000000, 0.0000766500000000 ] - [ 0.0000508200000000, -0.0000251000000000, 0.0000766500000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000316700000000, -0.0000038600000000, -0.0000755800000000 ] - [ -0.0000741700000000, -0.0000102700000000, -0.0000175300000000 ] - [ -0.0000628300000000, -0.0013055800000000, -0.0000101400000000 ] - [ -0.0000989400000000, -0.0000432600000000, 0.0000437200000000 ] - [ 0.0000321400000000, 0.0079224500000000, 0.0000008300000000 ] - [ 0.0000287100000000, 0.0012104000000000, -0.0000082700000000 ] - [ 0.0000228100000000, 0.0000234000000000, 0.0000195300000000 ] - [ -0.0000031000000000, 0.0023807500000000, -0.0000319200000000 ] - [ -0.0000220900000000, 0.0000003700000000, -0.0000367400000000 ] - [ 0.0001222400000000, 0.0000170400000000, -0.0000207900000000 ] - [ 0.0000317300000000, -0.0000036100000000, -0.0000755700000000 ] - [ -0.0000744900000000, -0.0000041000000000, -0.0000171800000000 ] - [ -0.0000608000000000, 0.0000250500000000, -0.0000103300000000 ] - [ -0.0000984500000000, -0.0000205300000000, 0.0000433300000000 ] - [ -0.0000085600000000, -0.0022689200000000, -0.0000138700000000 ] - [ 0.0000225900000000, -0.0038203400000000, -0.0000170100000000 ] - [ 0.0000222100000000, 0.0001078200000000, 0.0000187200000000 ] - [ 0.0000021700000000, -0.0000704100000000, -0.0000298400000000 ] - [ -0.0000222000000000, 0.0000000700000000, -0.0000367000000000 ] - [ 0.0001225000000000, 0.0000096900000000, -0.0000209100000000 ] - [ 0.0000639000000000, 0.0000014500000000, -0.0000155700000000 ] - [ 0.0000790600000000, -0.0000005200000000, 0.0000012100000000 ] - [ 0.0000193100000000, -0.0001524200000000, -0.0000092700000000 ] - [ -0.0001537400000000, 0.0001493400000000, 0.0000635700000000 ] - [ 0.0000099400000000, 0.0001523400000000, -0.0000162600000000 ] - [ 0.0012571900000000, 0.0002535500000000, 0.0009149300000000 ] - [ -0.0000038600000000, -0.0058960000000000, 0.0000229800000000 ] - [ -0.0000017700000000, -0.0063780900000000, 0.0000157000000000 ] - [ -0.0000687400000000, -0.0000379800000000, 0.0000373300000000 ] - [ 0.0000544100000000, -0.0003464600000000, -0.0000588000000000 ] - [ -0.0001729500000000, 0.0000151400000000, 0.0000053100000000 ] - [ -0.0009030200000000, -0.0000146400000000, -0.0008350000000000 ] - [ -0.0138272900000000, 0.0256666600000000, 0.0151720600000000 ] - [ -0.0000582900000000, 0.0064026100000000, -0.0002061600000000 ] - [ 0.0000167900000000, -0.0000212300000000, -0.0002674500000000 ] - [ -0.0000373500000000, -0.0000011500000000, -0.0000046700000000 ] - [ 0.0002535000000000, 0.0000069800000000, 0.0002331800000000 ] - [ 0.0000231500000000, 0.0000105200000000, -0.0000417300000000 ] - [ 0.0000248400000000, -0.0000105800000000, -0.0000395600000000 ] - [ 0.0000436400000000, -0.0000307200000000, -0.0000154500000000 ] - [ 0.0000641200000000, 0.0000009400000000, -0.0000157000000000 ] - [ 0.0000790500000000, -0.0000005600000000, 0.0000005500000000 ] - [ 0.0000255000000000, -0.0001517100000000, -0.0000067400000000 ] - [ -0.0001549800000000, 0.0000083000000000, 0.0000604800000000 ] - [ 0.0000040400000000, 0.0001525000000000, -0.0000191800000000 ] - [ -0.0000036600000000, 0.0001600900000000, -0.0000567000000000 ] - [ 0.0000072400000000, -0.0000365200000000, 0.0000198700000000 ] - [ -0.0000389400000000, 0.0048840600000000, 0.0000268000000000 ] - [ -0.0013201200000000, 0.0000709700000000, -0.0009366900000000 ] - [ 0.0000558800000000, 0.0002861200000000, -0.0000596900000000 ] - [ -0.0001723500000000, 0.0000787600000000, 0.0000042200000000 ] - [ 0.0147943800000000, 0.0268138600000000, -0.0163059200000000 ] - [ 0.0009487500000000, 0.0000652400000000, 0.0008177600000000 ] - [ -0.0000656700000000, -0.0003872800000000, 0.0000262400000000 ] - [ 0.0001283200000000, -0.0000158500000000, -0.0000068600000000 ] - [ -0.0000366500000000, 0.0000011800000000, -0.0000050000000000 ] - [ 0.0001446800000000, 0.0000125600000000, -0.0000295300000000 ] - [ 0.0000222200000000, 0.0000102600000000, -0.0000430100000000 ] - [ 0.0000241300000000, -0.0000103800000000, -0.0000409800000000 ] - [ 0.0000433400000000, -0.0000427900000000, -0.0000150600000000 ] - [ -0.0000260400000000, 0.0001297700000000, 0.0000010700000000 ] - [ -0.0001035800000000, 0.0000004100000000, 0.0001389900000000 ] - [ -0.0000241900000000, -0.0001301100000000, -0.0000020400000000 ] - [ -0.0000343200000000, -0.0000011500000000, -0.0000064600000000 ] - [ -0.0000720500000000, 0.0000052700000000, -0.0000379300000000 ] - [ -0.0002490100000000, -0.0000141600000000, 0.0001517900000000 ] - [ 0.0000770300000000, 0.0000019300000000, -0.0001173500000000 ] - [ -0.0000599500000000, -0.0000032500000000, -0.0000010200000000 ] - [ -0.0001544300000000, 0.0004048800000000, 0.0000884000000000 ] - [ 0.0001213200000000, 0.0000059100000000, -0.0000654700000000 ] - [ -0.0000459100000000, -0.0004402200000000, 0.0000102800000000 ] - [ -0.0000483000000000, 0.0000037300000000, -0.0000248300000000 ] - [ -0.0000119200000000, -0.0015096800000000, -0.0000483300000000 ] - [ 0.0051037800000000, 0.0017063700000000, -0.0000046000000000 ] - [ -0.0000195500000000, 0.0000222800000000, -0.0000488500000000 ] - [ 0.0000463600000000, 0.0000819200000000, -0.0002231200000000 ] - [ 0.0000553500000000, 0.0018533200000000, 0.0000248500000000 ] - [ -0.0067577400000000, 0.0021563200000000, -0.0013200700000000 ] - [ -0.0000200500000000, 0.0229195000000000, 0.0000425300000000 ] - [ -0.0019156800000000, 0.0019687600000000, -0.0036649600000000 ] - [ -0.0000874100000000, 0.0009699800000000, 0.0000175200000000 ] - [ -0.0003465100000000, -0.0000205200000000, 0.0002461200000000 ] - [ -0.0010725600000000, -0.0939619600000000, 0.0012621200000000 ] - [ 0.0042957900000000, 0.0036276700000000, 0.0087480500000000 ] - [ 0.0001316300000000, -0.0000011700000000, -0.0000297400000000 ] - [ -0.0000393200000000, -0.0000310200000000, -0.0000209800000000 ] - [ 0.0000145500000000, -0.0006521300000000, 0.0000382600000000 ] - [ -0.0042575300000000, 0.0035908900000000, -0.0086078700000000 ] - [ 0.0000380000000000, 0.0000061400000000, 0.0000094200000000 ] - [ 0.0000176900000000, 0.0000202400000000, 0.0000015000000000 ] - [ 0.0000250300000000, 0.0007142400000000, 0.0000131000000000 ] - [ 0.0000950900000000, 0.0000644100000000, 0.0000033600000000 ] - [ -0.0000153200000000, 0.0000000400000000, 0.0001246700000000 ] - [ 0.0000219400000000, -0.0000213000000000, -0.0000046000000000 ] - [ 0.0001613500000000, -0.0000058600000000, -0.0000406200000000 ] - [ 0.0000783200000000, -0.0000499200000000, -0.0000774500000000 ] - [ -0.0000082600000000, -0.0000000600000000, 0.0001123100000000 ] - [ 0.0000159500000000, 0.0000017800000000, -0.0000128500000000 ] - [ 0.0000473500000000, 0.0000270000000000, 0.0000321900000000 ] - [ 0.0000469800000000, -0.0000274700000000, 0.0000292900000000 ] - [ -0.0000247300000000, 0.0001300000000000, 0.0000012100000000 ] - [ -0.0001034500000000, -0.0000058600000000, 0.0001394200000000 ] - [ -0.0000232300000000, -0.0001296900000000, -0.0000022000000000 ] - [ -0.0000341800000000, -0.0000038900000000, -0.0000062100000000 ] - [ -0.0000725200000000, -0.0000052500000000, -0.0000378300000000 ] - [ -0.0000334400000000, -0.0000144800000000, 0.0000630500000000 ] - [ 0.0000771600000000, 0.0000073800000000, -0.0001172800000000 ] - [ -0.0000342500000000, 0.0000100600000000, 0.0000197100000000 ] - [ -0.0001508200000000, -0.0007610800000000, 0.0000839800000000 ] - [ -0.0000937700000000, 0.0000025900000000, 0.0000252300000000 ] - [ -0.0000453400000000, 0.0000186700000000, 0.0000104600000000 ] - [ -0.0000742900000000, 0.0000161600000000, -0.0000455400000000 ] - [ -0.0000298200000000, 0.0009634200000000, -0.0000285500000000 ] - [ 0.0068053300000000, 0.0020354300000000, 0.0012001400000000 ] - [ -0.0000222900000000, 0.0007185200000000, -0.0000470000000000 ] - [ 0.0019357900000000, 0.0021769700000000, 0.0037188600000000 ] - [ 0.0000654600000000, -0.0008472900000000, 0.0000151200000000 ] - [ -0.0051554900000000, 0.0018011400000000, -0.0001352300000000 ] - [ -0.0000143400000000, -0.0010957800000000, 0.0000257400000000 ] - [ -0.0000253200000000, -0.0001439500000000, 0.0002606000000000 ] - [ -0.0000953000000000, -0.0052626600000000, 0.0000251900000000 ] - [ -0.0000183900000000, 0.0000044000000000, -0.0000523900000000 ] - [ -0.0000781900000000, 0.0012017700000000, -0.0000804900000000 ] - [ 0.0002267800000000, -0.0000198100000000, -0.0002020900000000 ] - [ 0.0001314700000000, 0.0000040000000000, -0.0000298300000000 ] - [ 0.0002905800000000, -0.0000573200000000, -0.0003176600000000 ] - [ 0.0000143600000000, 0.0000210000000000, 0.0000392900000000 ] - [ -0.0001524000000000, -0.0000267700000000, 0.0004044700000000 ] - [ 0.0000375500000000, -0.0000055300000000, 0.0000096700000000 ] - [ 0.0000182000000000, 0.0000205400000000, 0.0000004800000000 ] - [ 0.0000240600000000, 0.0000222200000000, 0.0000159400000000 ] - [ 0.0001485800000000, 0.0000791100000000, 0.0000359600000000 ] - [ -0.0000150900000000, -0.0000002400000000, 0.0001246800000000 ] - [ 0.0000212800000000, -0.0000211500000000, -0.0000037900000000 ] - [ 0.0001613400000000, -0.0000021800000000, -0.0000403900000000 ] - [ 0.0001325800000000, -0.0000636200000000, -0.0000449200000000 ] - [ -0.0000086200000000, -0.0000002700000000, 0.0001125100000000 ] - [ 0.0000157700000000, 0.0000061800000000, -0.0000132600000000 ] - [ 0.0000471900000000, 0.0000270000000000, 0.0000323700000000 ] - [ 0.0000467700000000, -0.0000271900000000, 0.0000289400000000 ]- atom: 83 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0000751000000000, 0.0000000000000000, -0.0013224400000000 ] - [ 0.0000611500000000, 0.0000000000000000, -0.0012811600000000 ] - [ 0.0032019100000000, 0.0000000000000000, -0.0023504100000000 ] - [ 0.0004006000000000, 0.0000000000000000, -0.0012691400000000 ] - [ 0.0069027200000000, 0.0000000000000000, 0.0162590100000000 ] - [ 0.0019760000000000, 0.0000000000000000, 0.0046575900000000 ] - [ -0.0008566000000000, 0.0000000000000000, -0.0010059000000000 ] - [ 0.0004573700000000, 0.0000000000000000, -0.0039399800000000 ] - [ -0.0000294700000000, 0.0000000000000000, -0.0012469800000000 ] - [ 0.0000293500000000, 0.0000000000000000, -0.0015035300000000 ] - [ 0.0000688200000000, 0.0000000000000000, -0.0013402100000000 ] - [ 0.0001190000000000, 0.0000000000000000, -0.0011193800000000 ] - [ -0.0001411100000000, 0.0000000000000000, 0.0003636000000000 ] - [ -0.0007052000000000, 0.0000000000000000, -0.0010699600000000 ] - [ 0.0005273100000000, 0.0000000000000000, 0.0031687000000000 ] - [ -0.0019678800000000, 0.0000000000000000, 0.0068878100000000 ] - [ 0.0003594300000000, 0.0000000000000000, -0.0013994800000000 ] - [ -0.0002677200000000, 0.0000000000000000, -0.0000200100000000 ] - [ -0.0000779100000000, 0.0000000000000000, -0.0012021600000000 ] - [ 0.0001259800000000, 0.0000000000000000, -0.0013251800000000 ] - [ 0.0001458700000000, 0.0000000000000000, -0.0018570300000000 ] - [ 0.0000201300000000, 0.0000000000000000, -0.0021079700000000 ] - [ 0.0000132300000000, -0.0002576300000000, -0.0019428100000000 ] - [ 0.0002032800000000, 0.0000000000000000, -0.0031840400000000 ] - [ 0.0000132300000000, 0.0002576300000000, -0.0019428100000000 ] - [ -0.0050631600000000, -0.0005194900000000, -0.0016724600000000 ] - [ -0.0052927700000000, 0.0000000000000000, -0.0008849300000000 ] - [ 0.0007961400000000, 0.0000000000000000, 0.0071716300000000 ] - [ 0.0023239300000000, 0.0027493000000000, -0.0010578900000000 ] - [ 0.0017666900000000, 0.0000000000000000, -0.0009426500000000 ] - [ 0.0000048900000000, 0.0000000000000000, -0.0017963600000000 ] - [ -0.0007904500000000, 0.0000684700000000, 0.0044133900000000 ] - [ -0.0059328400000000, 0.0137344400000000, 0.0236537700000000 ] - [ 0.0069773900000000, 0.0000000000000000, 0.0921678100000000 ] - [ 0.0002623100000000, 0.0005099100000000, -0.0026310700000000 ] - [ 0.0000742600000000, 0.0000000000000000, -0.0020907400000000 ] - [ 0.0002623100000000, -0.0005099100000000, -0.0026310700000000 ] - [ 0.0000120100000000, 0.0001029300000000, -0.0018705000000000 ] - [ -0.0000466500000000, -0.0001174200000000, -0.0019315600000000 ] - [ 0.0004254200000000, 0.0000000000000000, -0.0019867800000000 ] - [ 0.0000853700000000, 0.0000000000000000, -0.0019389000000000 ] - [ -0.0000165200000000, 0.0000000000000000, -0.0020456100000000 ] - [ -0.0003391900000000, -0.0002968100000000, -0.0017841800000000 ] - [ -0.0003855100000000, 0.0000000000000000, -0.0010986500000000 ] - [ -0.0003391900000000, 0.0002968100000000, -0.0017841800000000 ] - [ 0.0023239300000000, -0.0027493000000000, -0.0010578900000000 ] - [ 0.0052371700000000, 0.0000000000000000, 0.0001545700000000 ] - [ -0.0027258100000000, 0.0000000000000000, 0.0056306700000000 ] - [ -0.0050631600000000, 0.0005194900000000, -0.0016724600000000 ] - [ -0.0014354200000000, 0.0000000000000000, -0.0002800200000000 ] - [ -0.0002449400000000, 0.0000000000000000, -0.0027280300000000 ] - [ -0.0059328400000000, -0.0137344400000000, 0.0236537700000000 ] - [ -0.0007904500000000, -0.0000684700000000, 0.0044133900000000 ] - [ -0.0009628400000000, 0.0000000000000000, 0.0043654100000000 ] - [ 0.0003504700000000, 0.0003083800000000, -0.0013199000000000 ] - [ -0.0000390300000000, 0.0000000000000000, -0.0017861500000000 ] - [ 0.0003504700000000, -0.0003083800000000, -0.0013199000000000 ] - [ -0.0000466500000000, 0.0001174200000000, -0.0019315600000000 ] - [ 0.0000120100000000, -0.0001029300000000, -0.0018705000000000 ] - [ -0.0002140400000000, 0.0000000000000000, -0.0018866600000000 ] - [ 0.0001035000000000, 0.0000988400000000, 0.0012663700000000 ] - [ -0.0002260200000000, 0.0000000000000000, 0.0019185600000000 ] - [ 0.0000778600000000, -0.0001165600000000, 0.0011576800000000 ] - [ -0.0002061600000000, 0.0000000000000000, 0.0012793900000000 ] - [ -0.0002184300000000, 0.0000000000000000, 0.0009724200000000 ] - [ -0.0006942100000000, 0.0003229900000000, 0.0014536800000000 ] - [ -0.0000100400000000, 0.0000000000000000, 0.0011955500000000 ] - [ -0.0001085900000000, 0.0000909900000000, 0.0010217200000000 ] - [ -0.0013953000000000, 0.0000000000000000, -0.0026862300000000 ] - [ -0.0006942100000000, -0.0003229900000000, 0.0014536800000000 ] - [ 0.0006686200000000, 0.0000000000000000, 0.0016521700000000 ] - [ -0.0001085900000000, -0.0000909900000000, 0.0010217200000000 ] - [ -0.0092858500000000, 0.0000000000000000, 0.0058209200000000 ] - [ 0.0003931700000000, 0.0004693700000000, -0.0048885800000000 ] - [ -0.0010734600000000, 0.0000000000000000, 0.0015146700000000 ] - [ -0.0009842000000000, -0.0005698800000000, -0.0018382300000000 ] - [ -0.0015565000000000, 0.0000000000000000, -0.0018694300000000 ] - [ -0.0004424700000000, -0.0008823700000000, -0.0060722100000000 ] - [ 0.0006076900000000, 0.0000000000000000, -0.0082829200000000 ] - [ 0.0047712600000000, -0.0064279200000000, 0.0061024000000000 ] - [ 0.0028374200000000, 0.0000000000000000, -0.0021360700000000 ] - [ -0.0004701400000000, 0.0002095500000000, 0.0015745300000000 ] - [ -0.0021761700000000, 0.0000000000000000, -0.1825430700000000 ] - [ 0.0059533100000000, 0.0092449400000000, 0.0100207800000000 ] - [ -0.0000083300000000, 0.0000000000000000, 0.0017280000000000 ] - [ 0.0003254500000000, 0.0000394400000000, 0.0002440500000000 ] - [ 0.0006859300000000, 0.0000000000000000, 0.0016653600000000 ] - [ 0.0059533100000000, -0.0092449400000000, 0.0100207800000000 ] - [ -0.0003424300000000, 0.0000000000000000, 0.0014575900000000 ] - [ 0.0001714100000000, -0.0001078300000000, 0.0011922700000000 ] - [ 0.0007851200000000, 0.0000000000000000, 0.0035821100000000 ] - [ 0.0000402400000000, 0.0001785100000000, 0.0010229300000000 ] - [ -0.0000629500000000, 0.0000000000000000, 0.0016886200000000 ] - [ 0.0001714100000000, 0.0001078300000000, 0.0011922700000000 ] - [ 0.0000354900000000, 0.0000000000000000, 0.0011257300000000 ] - [ 0.0005539800000000, -0.0002954500000000, 0.0012969500000000 ] - [ -0.0000768200000000, 0.0000000000000000, 0.0013208900000000 ] - [ -0.0000994000000000, 0.0000000000000000, 0.0016061400000000 ] - [ 0.0001546000000000, 0.0000346600000000, 0.0012177000000000 ] - [ 0.0001546000000000, -0.0000346600000000, 0.0012177000000000 ] - [ 0.0000778600000000, 0.0001165600000000, 0.0011576800000000 ] - [ -0.0000743600000000, 0.0000000000000000, 0.0013932300000000 ] - [ 0.0001035000000000, -0.0000988400000000, 0.0012663700000000 ] - [ -0.0000879900000000, 0.0000000000000000, 0.0012716300000000 ] - [ -0.0004337200000000, 0.0000000000000000, 0.0013485200000000 ] - [ 0.0004575700000000, -0.0000504800000000, 0.0004138500000000 ] - [ 0.0000953400000000, 0.0000000000000000, 0.0012360400000000 ] - [ 0.0003252400000000, 0.0001997500000000, 0.0012822500000000 ] - [ 0.0016930200000000, 0.0000000000000000, -0.0023775500000000 ] - [ 0.0004575700000000, 0.0000504800000000, 0.0004138500000000 ] - [ -0.0004929800000000, 0.0000000000000000, 0.0002906400000000 ] - [ 0.0003252400000000, -0.0001997500000000, 0.0012822500000000 ] - [ 0.0029227900000000, 0.0000000000000000, -0.0022062200000000 ] - [ -0.0004424700000000, 0.0008823700000000, -0.0060722100000000 ] - [ 0.0010588300000000, 0.0000000000000000, 0.0034801500000000 ] - [ 0.0047712600000000, 0.0064279200000000, 0.0061024000000000 ] - [ 0.0020550100000000, 0.0000000000000000, -0.0017439100000000 ] - [ 0.0003931700000000, -0.0004693700000000, -0.0048885800000000 ] - [ 0.0007561000000000, 0.0000000000000000, -0.0026935300000000 ] - [ -0.0009842000000000, 0.0005698800000000, -0.0018382300000000 ] - [ -0.0114502000000000, 0.0000000000000000, 0.0078759800000000 ] - [ 0.0003254500000000, -0.0000394400000000, 0.0002440500000000 ] - [ 0.0004536200000000, 0.0000000000000000, -0.0039602000000000 ] - [ -0.0008746500000000, -0.0006378500000000, -0.0014940500000000 ] - [ 0.0001250100000000, 0.0000000000000000, 0.0012103000000000 ] - [ -0.0004701400000000, -0.0002095500000000, 0.0015745300000000 ] - [ -0.0005372500000000, 0.0000000000000000, 0.0004401200000000 ] - [ -0.0008746500000000, 0.0006378500000000, -0.0014940500000000 ] - [ -0.0001370100000000, 0.0000000000000000, 0.0010025700000000 ] - [ 0.0001347200000000, -0.0000845200000000, 0.0010686600000000 ] - [ -0.0009413300000000, 0.0000000000000000, 0.0015789200000000 ] - [ 0.0005539800000000, 0.0002954500000000, 0.0012969500000000 ] - [ -0.0000831300000000, 0.0000000000000000, 0.0016274600000000 ] - [ 0.0001347200000000, 0.0000845200000000, 0.0010686600000000 ] - [ -0.0000966000000000, 0.0000000000000000, 0.0011303600000000 ] - [ 0.0000402400000000, -0.0001785100000000, 0.0010229300000000 ] - [ -0.0000574100000000, 0.0000000000000000, 0.0013722500000000 ] - [ -0.0000080100000000, 0.0000000000000000, 0.0016503100000000 ] - [ 0.0001619000000000, 0.0000373300000000, 0.0012235400000000 ] - [ 0.0001619000000000, -0.0000373300000000, 0.0012235400000000 ]- atom: 83 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0000059400000000, 0.0000000000000000, 0.0011611700000000 ] - [ -0.0002130500000000, 0.0000000000000000, 0.0012434200000000 ] - [ -0.0032956100000000, 0.0000000000000000, 0.0023219400000000 ] - [ -0.0006005800000000, 0.0000000000000000, 0.0013591100000000 ] - [ -0.0077204900000000, 0.0000000000000000, -0.0167021500000000 ] - [ -0.0018962500000000, 0.0000000000000000, -0.0046207000000000 ] - [ 0.0008984600000000, 0.0000000000000000, 0.0010449200000000 ] - [ -0.0004584200000000, 0.0000000000000000, 0.0038788400000000 ] - [ -0.0000182300000000, 0.0000000000000000, 0.0011662500000000 ] - [ 0.0002140800000000, 0.0000000000000000, 0.0014515700000000 ] - [ 0.0000004100000000, 0.0000000000000000, 0.0011791500000000 ] - [ -0.0002702800000000, 0.0000000000000000, 0.0010833700000000 ] - [ 0.0000316300000000, 0.0000000000000000, -0.0003748800000000 ] - [ 0.0004981900000000, 0.0000000000000000, 0.0011603900000000 ] - [ -0.0005211300000000, 0.0000000000000000, -0.0032209600000000 ] - [ 0.0020258700000000, 0.0000000000000000, -0.0068129500000000 ] - [ -0.0003173400000000, 0.0000000000000000, 0.0014362000000000 ] - [ 0.0002747100000000, 0.0000000000000000, -0.0000459600000000 ] - [ 0.0000302900000000, 0.0000000000000000, 0.0011210600000000 ] - [ 0.0001169200000000, 0.0000000000000000, 0.0012738800000000 ] - [ -0.0000070200000000, 0.0000000000000000, 0.0018157300000000 ] - [ 0.0001344700000000, 0.0000000000000000, 0.0020746000000000 ] - [ 0.0000232700000000, -0.0000332000000000, 0.0019169800000000 ] - [ -0.0005077000000000, 0.0000000000000000, 0.0032970500000000 ] - [ 0.0000232700000000, 0.0000332000000000, 0.0019169800000000 ] - [ 0.0049558500000000, 0.0006918800000000, 0.0016502400000000 ] - [ 0.0052894500000000, 0.0000000000000000, 0.0009096200000000 ] - [ -0.0009025900000000, 0.0000000000000000, -0.0070532900000000 ] - [ -0.0023812700000000, -0.0029081500000000, 0.0010383800000000 ] - [ -0.0016608900000000, 0.0000000000000000, 0.0008070700000000 ] - [ -0.0003499200000000, 0.0000000000000000, 0.0018024400000000 ] - [ 0.0008312100000000, -0.0001545000000000, -0.0044488300000000 ] - [ 0.0063246200000000, -0.0141761900000000, -0.0238545000000000 ] - [ -0.0069586400000000, 0.0000000000000000, -0.0864643300000000 ] - [ 0.0000071800000000, -0.0005374200000000, 0.0025951100000000 ] - [ -0.0001524200000000, 0.0000000000000000, 0.0020728900000000 ] - [ 0.0000071800000000, 0.0005374200000000, 0.0025951100000000 ] - [ 0.0000374700000000, -0.0000702000000000, 0.0017778800000000 ] - [ 0.0000966800000000, 0.0000841800000000, 0.0018385000000000 ] - [ -0.0003352100000000, 0.0000000000000000, 0.0019527900000000 ] - [ 0.0000536500000000, 0.0000000000000000, 0.0018976400000000 ] - [ 0.0001709000000000, 0.0000000000000000, 0.0020120400000000 ] - [ 0.0003739400000000, 0.0000056600000000, 0.0017594800000000 ] - [ 0.0000779100000000, 0.0000000000000000, 0.0012283000000000 ] - [ 0.0003739400000000, -0.0000056600000000, 0.0017594800000000 ] - [ -0.0023812700000000, 0.0029081500000000, 0.0010383800000000 ] - [ -0.0052406200000000, 0.0000000000000000, -0.0001288800000000 ] - [ 0.0026564800000000, 0.0000000000000000, -0.0055142500000000 ] - [ 0.0049558500000000, -0.0006918800000000, 0.0016502400000000 ] - [ 0.0015475100000000, 0.0000000000000000, 0.0001539400000000 ] - [ -0.0001023500000000, 0.0000000000000000, 0.0027287500000000 ] - [ 0.0063246200000000, 0.0141761900000000, -0.0238545000000000 ] - [ 0.0008312100000000, 0.0001545000000000, -0.0044488300000000 ] - [ 0.0008284000000000, 0.0000000000000000, -0.0042767700000000 ] - [ -0.0000771400000000, -0.0003357600000000, 0.0012806200000000 ] - [ -0.0000377200000000, 0.0000000000000000, 0.0017677200000000 ] - [ -0.0000771400000000, 0.0003357600000000, 0.0012806200000000 ] - [ 0.0000966800000000, -0.0000841800000000, 0.0018385000000000 ] - [ 0.0000374700000000, 0.0000702000000000, 0.0017778800000000 ] - [ 0.0003051400000000, 0.0000000000000000, 0.0018535300000000 ] - [ -0.0001493300000000, 0.0001817300000000, -0.0012798500000000 ] - [ 0.0000330200000000, 0.0000000000000000, -0.0016283300000000 ] - [ -0.0001235400000000, -0.0001645700000000, -0.0011718200000000 ] - [ 0.0001508000000000, 0.0000000000000000, -0.0012985500000000 ] - [ 0.0000435600000000, 0.0000000000000000, -0.0010568000000000 ] - [ 0.0005680400000000, -0.0003416600000000, -0.0013578600000000 ] - [ 0.0001496400000000, 0.0000000000000000, -0.0014335100000000 ] - [ -0.0000096300000000, -0.0000755400000000, -0.0010464100000000 ] - [ 0.0010904400000000, 0.0000000000000000, 0.0028150400000000 ] - [ 0.0005680400000000, 0.0003416600000000, -0.0013578600000000 ] - [ -0.0007472100000000, 0.0000000000000000, -0.0016194400000000 ] - [ -0.0000096300000000, 0.0000755400000000, -0.0010464100000000 ] - [ 0.0090826600000000, 0.0000000000000000, -0.0058094400000000 ] - [ -0.0003601600000000, -0.0005813500000000, 0.0047457600000000 ] - [ 0.0010074100000000, 0.0000000000000000, -0.0016268500000000 ] - [ 0.0009876900000000, 0.0007861600000000, 0.0018530400000000 ] - [ 0.0016760800000000, 0.0000000000000000, 0.0019234700000000 ] - [ 0.0003727300000000, 0.0010311600000000, 0.0059041900000000 ] - [ -0.0006295200000000, 0.0000000000000000, 0.0083029700000000 ] - [ -0.0046854000000000, 0.0060905500000000, -0.0059772600000000 ] - [ -0.0030122400000000, 0.0000000000000000, 0.0021783100000000 ] - [ 0.0004256700000000, -0.0001912500000000, -0.0016337700000000 ] - [ 0.0020310200000000, 0.0000000000000000, 0.1775528900000000 ] - [ -0.0059510600000000, -0.0093727400000000, -0.0099317100000000 ] - [ 0.0002737800000000, 0.0000000000000000, -0.0017763200000000 ] - [ -0.0003754300000000, -0.0000586100000000, -0.0003063200000000 ] - [ -0.0006647400000000, 0.0000000000000000, -0.0015783300000000 ] - [ -0.0059510600000000, 0.0093727400000000, -0.0099317100000000 ] - [ 0.0004339000000000, 0.0000000000000000, -0.0014394900000000 ] - [ -0.0001303900000000, 0.0001342900000000, -0.0011822300000000 ] - [ -0.0007364300000000, 0.0000000000000000, -0.0035516300000000 ] - [ 0.0001748800000000, -0.0000789400000000, -0.0010674100000000 ] - [ 0.0000303500000000, 0.0000000000000000, -0.0014153000000000 ] - [ -0.0001303900000000, -0.0001342900000000, -0.0011822300000000 ] - [ 0.0002908500000000, 0.0000000000000000, -0.0011985800000000 ] - [ -0.0003399700000000, 0.0001995600000000, -0.0013433900000000 ] - [ 0.0000351800000000, 0.0000000000000000, -0.0010790600000000 ] - [ 0.0001451500000000, 0.0000000000000000, -0.0016171500000000 ] - [ -0.0000417400000000, 0.0000256800000000, -0.0011492100000000 ] - [ -0.0000417400000000, -0.0000256800000000, -0.0011492100000000 ] - [ -0.0001235400000000, 0.0001645700000000, -0.0011718200000000 ] - [ -0.0001183000000000, 0.0000000000000000, -0.0011077400000000 ] - [ -0.0001493300000000, -0.0001817300000000, -0.0012798500000000 ] - [ 0.0000336000000000, 0.0000000000000000, -0.0012912000000000 ] - [ 0.0002589300000000, 0.0000000000000000, -0.0014302600000000 ] - [ -0.0005771300000000, 0.0000288100000000, -0.0003268400000000 ] - [ 0.0000454000000000, 0.0000000000000000, -0.0014738500000000 ] - [ -0.0004408600000000, -0.0001845500000000, -0.0013056000000000 ] - [ -0.0019774200000000, 0.0000000000000000, 0.0025026200000000 ] - [ -0.0005771300000000, -0.0000288100000000, -0.0003268400000000 ] - [ 0.0004047800000000, 0.0000000000000000, -0.0002688100000000 ] - [ -0.0004408600000000, 0.0001845500000000, -0.0013056000000000 ] - [ -0.0029700500000000, 0.0000000000000000, 0.0021112700000000 ] - [ 0.0003727300000000, -0.0010311600000000, 0.0059041900000000 ] - [ -0.0011104200000000, 0.0000000000000000, -0.0035789600000000 ] - [ -0.0046854000000000, -0.0060905500000000, -0.0059772600000000 ] - [ -0.0019232600000000, 0.0000000000000000, 0.0017770400000000 ] - [ -0.0003601600000000, 0.0005813500000000, 0.0047457600000000 ] - [ -0.0007984900000000, 0.0000000000000000, 0.0027439500000000 ] - [ 0.0009876900000000, -0.0007861600000000, 0.0018530400000000 ] - [ 0.0113933700000000, 0.0000000000000000, -0.0079062200000000 ] - [ -0.0003754300000000, 0.0000586100000000, -0.0003063200000000 ] - [ -0.0006232500000000, 0.0000000000000000, 0.0037873400000000 ] - [ 0.0009393600000000, 0.0006336400000000, 0.0017016900000000 ] - [ 0.0001386100000000, 0.0000000000000000, -0.0012589800000000 ] - [ 0.0004256700000000, 0.0001912500000000, -0.0016337700000000 ] - [ 0.0005531200000000, 0.0000000000000000, -0.0003517800000000 ] - [ 0.0009393600000000, -0.0006336400000000, 0.0017016900000000 ] - [ 0.0002285900000000, 0.0000000000000000, -0.0009830300000000 ] - [ -0.0000943200000000, 0.0001105500000000, -0.0010587300000000 ] - [ 0.0009907900000000, 0.0000000000000000, -0.0015387200000000 ] - [ -0.0003399700000000, -0.0001995600000000, -0.0013433900000000 ] - [ 0.0000502000000000, 0.0000000000000000, -0.0013542300000000 ] - [ -0.0000943200000000, -0.0001105500000000, -0.0010587300000000 ] - [ 0.0004232200000000, 0.0000000000000000, -0.0012033900000000 ] - [ 0.0001748800000000, 0.0000789400000000, -0.0010674100000000 ] - [ 0.0000161100000000, 0.0000000000000000, -0.0011300900000000 ] - [ 0.0000547100000000, 0.0000000000000000, -0.0016594000000000 ] - [ -0.0000492400000000, 0.0000228200000000, -0.0011549800000000 ] - [ -0.0000492400000000, -0.0000228200000000, -0.0011549800000000 ]- atom: 84 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0000025800000000, -0.0000043700000000, -0.0001963600000000 ] - [ -0.0000410300000000, 0.0000002500000000, -0.0001542600000000 ] - [ 0.0005012400000000, -0.0000494200000000, -0.0004200800000000 ] - [ -0.0000239400000000, 0.0000025000000000, -0.0000367900000000 ] - [ 0.0117374700000000, -0.0009637800000000, -0.0010106500000000 ] - [ -0.0004541000000000, 0.0009335700000000, 0.0015411700000000 ] - [ -0.0008194200000000, 0.0000804900000000, -0.0009463800000000 ] - [ 0.0123274400000000, 0.0029688500000000, -0.0026899400000000 ] - [ 0.0000431700000000, -0.0000011300000000, -0.0001338800000000 ] - [ 0.0004755600000000, 0.0000536900000000, -0.0004231800000000 ] - [ 0.0000670100000000, -0.0000037600000000, -0.0001929700000000 ] - [ -0.0000837000000000, 0.0000007500000000, -0.0001041100000000 ] - [ -0.0004822200000000, 0.0000646000000000, 0.0001265400000000 ] - [ -0.0001940500000000, 0.0000035400000000, -0.0001168200000000 ] - [ -0.0037904500000000, -0.0001918100000000, -0.0009784900000000 ] - [ -0.0007138900000000, -0.0000737200000000, -0.0012539500000000 ] - [ -0.0004403700000000, -0.0006993900000000, 0.0012302400000000 ] - [ -0.0031735600000000, 0.0000969800000000, -0.0011967000000000 ] - [ -0.0001228400000000, -0.0000038700000000, -0.0001597400000000 ] - [ -0.0001415300000000, -0.0000489200000000, 0.0000555500000000 ] - [ 0.0000477300000000, 0.0000005300000000, -0.0001690800000000 ] - [ 0.0000847800000000, 0.0000008100000000, -0.0002351200000000 ] - [ 0.0000339200000000, -0.0001626200000000, -0.0001915600000000 ] - [ 0.0000870200000000, -0.0000022500000000, -0.0002501700000000 ] - [ 0.0000349600000000, 0.0001627100000000, -0.0001886400000000 ] - [ -0.0004688800000000, 0.0001638700000000, -0.0005319400000000 ] - [ 0.0228563100000000, 0.0271027500000000, 0.0098431600000000 ] - [ 0.0050934600000000, -0.0024475900000000, 0.0024980300000000 ] - [ 0.0003382100000000, 0.0000637200000000, 0.0003948500000000 ] - [ -0.0018050800000000, 0.0020160100000000, 0.0056244900000000 ] - [ -0.0001931500000000, -0.0000010400000000, -0.0000534800000000 ] - [ -0.0068907200000000, 0.0005141300000000, 0.0030374900000000 ] - [ 0.0423051000000000, -0.0041196700000000, 0.0231671000000000 ] - [ 0.0009480800000000, 0.0005790100000000, -0.0027024800000000 ] - [ 0.0040287900000000, 0.0004127300000000, -0.0006506000000000 ] - [ 0.0001722900000000, 0.0000137200000000, -0.0000194400000000 ] - [ 0.0032752100000000, -0.0004770000000000, -0.0010724200000000 ] - [ -0.0000357400000000, 0.0000073300000000, -0.0001182000000000 ] - [ 0.0001093700000000, -0.0000512600000000, -0.0003175500000000 ] - [ 0.0002639600000000, 0.0001464400000000, 0.0004549300000000 ] - [ 0.0000907600000000, -0.0000000300000000, -0.0002169700000000 ] - [ 0.0000607200000000, 0.0000001400000000, -0.0001644300000000 ] - [ -0.0000361700000000, -0.0001588600000000, -0.0001871700000000 ] - [ -0.0003568400000000, -0.0000138200000000, -0.0000049000000000 ] - [ -0.0000365900000000, 0.0001590200000000, -0.0001849300000000 ] - [ 0.0002262600000000, -0.0000634800000000, 0.0002103300000000 ] - [ -0.0072756900000000, 0.0006139200000000, 0.0017879500000000 ] - [ -0.0030129300000000, 0.0000658400000000, -0.0007333000000000 ] - [ -0.0005676700000000, -0.0001563700000000, -0.0006005000000000 ] - [ -0.0027402600000000, 0.0011968400000000, -0.0044711500000000 ] - [ -0.0001430800000000, 0.0000036200000000, -0.0003346800000000 ] - [ 0.0037197800000000, -0.0006804500000000, -0.0018657100000000 ] - [ -0.0035694500000000, -0.0005866400000000, 0.0037701300000000 ] - [ -0.0012027500000000, -0.0002113700000000, 0.0010420400000000 ] - [ -0.0014457000000000, -0.0000033300000000, 0.0001935200000000 ] - [ -0.0002685000000000, 0.0000223300000000, -0.0002453200000000 ] - [ -0.0016379800000000, 0.0000130200000000, 0.0001124800000000 ] - [ 0.0001085700000000, 0.0000516600000000, -0.0003269700000000 ] - [ -0.0000426500000000, -0.0000070500000000, -0.0001295900000000 ] - [ -0.0004025400000000, -0.0001509200000000, -0.0006619500000000 ] - [ -0.0000231100000000, 0.0001304000000000, 0.0001292600000000 ] - [ -0.0001442400000000, 0.0000014700000000, 0.0003087000000000 ] - [ -0.0000043300000000, -0.0001270300000000, 0.0000986200000000 ] - [ -0.0000411200000000, 0.0000000600000000, 0.0001150900000000 ] - [ -0.0000415000000000, -0.0000002800000000, 0.0000481900000000 ] - [ -0.0002829600000000, 0.0000275100000000, 0.0001014500000000 ] - [ 0.0000713700000000, -0.0000000500000000, 0.0000018400000000 ] - [ -0.0000680400000000, -0.0000031800000000, 0.0000481600000000 ] - [ -0.0009126600000000, 0.0001862900000000, -0.0004532000000000 ] - [ -0.0002519300000000, -0.0000218600000000, 0.0001152500000000 ] - [ -0.0000532700000000, -0.0000250200000000, 0.0003373100000000 ] - [ -0.0000672200000000, 0.0000023800000000, 0.0000490200000000 ] - [ -0.0011894600000000, -0.0002215000000000, -0.0000755800000000 ] - [ 0.0024981900000000, 0.0001985100000000, -0.0073520200000000 ] - [ -0.0000792700000000, -0.0000186500000000, -0.0001068600000000 ] - [ 0.0003407400000000, 0.0000601400000000, -0.0008682400000000 ] - [ 0.0071090100000000, -0.0068551200000000, -0.0014363800000000 ] - [ 0.0018036200000000, 0.0001082400000000, 0.0012536500000000 ] - [ -0.0033336800000000, -0.0034302900000000, 0.0041560100000000 ] - [ 0.0000983600000000, -0.0002542200000000, 0.0008547500000000 ] - [ 0.0090121500000000, 0.0041774500000000, -0.0017172900000000 ] - [ 0.0003348600000000, 0.0001520700000000, -0.0066697900000000 ] - [ -0.0029451200000000, 0.0043010400000000, 0.0063577200000000 ] - [ -0.1112875900000000, -0.0321016600000000, -0.0318131400000000 ] - [ -0.0007283400000000, 0.0003169900000000, -0.0003523100000000 ] - [ 0.0014524500000000, 0.0001368500000000, 0.0010925200000000 ] - [ -0.0019542700000000, -0.0017482000000000, 0.0038084300000000 ] - [ -0.0066344400000000, 0.0025870200000000, -0.0011919700000000 ] - [ -0.0009690500000000, -0.0002586100000000, 0.0000284000000000 ] - [ -0.0001335300000000, 0.0000442800000000, 0.0000979400000000 ] - [ -0.0014024000000000, 0.0019321600000000, 0.0049992800000000 ] - [ 0.0004444400000000, 0.0000216200000000, -0.0005968200000000 ] - [ -0.0000511200000000, 0.0000020700000000, 0.0002885500000000 ] - [ -0.0001051500000000, -0.0000388700000000, 0.0001017100000000 ] - [ 0.0001754800000000, -0.0000184400000000, 0.0002213000000000 ] - [ 0.0002059600000000, -0.0002074300000000, 0.0006874100000000 ] - [ 0.0000125300000000, -0.0000013100000000, 0.0002017400000000 ] - [ -0.0000322700000000, -0.0000054700000000, -0.0000314800000000 ] - [ 0.0000324200000000, 0.0000243000000000, 0.0001101300000000 ] - [ 0.0000328100000000, -0.0000243800000000, 0.0001094800000000 ] - [ -0.0000041700000000, 0.0001271200000000, 0.0000988800000000 ] - [ -0.0000740600000000, 0.0000002600000000, 0.0002695000000000 ] - [ -0.0000228100000000, -0.0001302800000000, 0.0001290300000000 ] - [ -0.0000485200000000, -0.0000000200000000, 0.0001176500000000 ] - [ -0.0001486500000000, -0.0000018400000000, 0.0000984000000000 ] - [ 0.0001655500000000, -0.0000461500000000, 0.0001426300000000 ] - [ 0.0000768700000000, 0.0000003200000000, 0.0000136400000000 ] - [ -0.0000074900000000, 0.0000210700000000, 0.0001452000000000 ] - [ 0.0003978600000000, -0.0000299900000000, 0.0005313100000000 ] - [ 0.0001393700000000, 0.0000452800000000, 0.0001641800000000 ] - [ -0.0000568100000000, 0.0000162800000000, -0.0000787600000000 ] - [ -0.0000112200000000, -0.0000200600000000, 0.0001430300000000 ] - [ 0.0007496700000000, 0.0000429600000000, 0.0001426600000000 ] - [ 0.0018373100000000, -0.0001964200000000, 0.0015745300000000 ] - [ 0.0000301600000000, 0.0000353400000000, 0.0003956800000000 ] - [ 0.0003270200000000, 0.0003149900000000, 0.0012086800000000 ] - [ 0.0086345900000000, -0.0051114500000000, -0.0008261300000000 ] - [ -0.0015142100000000, -0.0003267500000000, -0.0019443200000000 ] - [ 0.0023083300000000, -0.0001920200000000, -0.0011402900000000 ] - [ 0.0001260100000000, -0.0000694200000000, -0.0004573100000000 ] - [ 0.0132877800000000, 0.0097206000000000, -0.0015750100000000 ] - [ 0.0013877300000000, -0.0002237300000000, 0.0010831300000000 ] - [ 0.0017788200000000, 0.0001895100000000, -0.0012675500000000 ] - [ 0.0053628900000000, 0.0009437700000000, 0.0006966900000000 ] - [ 0.0006506100000000, -0.0000112200000000, 0.0002510600000000 ] - [ -0.0018230900000000, -0.0000423900000000, -0.0018787700000000 ] - [ 0.0019539000000000, -0.0000434900000000, -0.0008757600000000 ] - [ 0.0037540400000000, -0.0006276700000000, 0.0003917100000000 ] - [ 0.0006771100000000, 0.0000207000000000, 0.0000824600000000 ] - [ 0.0001604100000000, -0.0000036400000000, 0.0000608700000000 ] - [ 0.0014618000000000, 0.0000341500000000, -0.0011975100000000 ] - [ 0.0004349800000000, 0.0003221300000000, 0.0010455600000000 ] - [ 0.0000082900000000, 0.0000015200000000, 0.0002433700000000 ] - [ 0.0001500600000000, 0.0000041400000000, 0.0000842000000000 ] - [ 0.0001262000000000, 0.0000062300000000, -0.0000591900000000 ] - [ 0.0002292400000000, -0.0000198100000000, -0.0003365900000000 ] - [ -0.0000522100000000, -0.0000013600000000, 0.0002573700000000 ] - [ 0.0000556700000000, 0.0000201800000000, 0.0003914400000000 ] - [ 0.0000897800000000, 0.0000382100000000, 0.0001869200000000 ] - [ 0.0000865800000000, -0.0000378100000000, 0.0001831500000000 ]- atom: 84 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0000625200000000, -0.0000030700000000, 0.0000418300000000 ] - [ -0.0001129800000000, 0.0000006500000000, 0.0001209800000000 ] - [ -0.0006221200000000, 0.0000502500000000, 0.0004035000000000 ] - [ -0.0001743700000000, -0.0000018000000000, 0.0001234000000000 ] - [ -0.0118587900000000, 0.0012314900000000, 0.0012273500000000 ] - [ 0.0005217500000000, -0.0009332200000000, -0.0015493300000000 ] - [ 0.0008505100000000, -0.0000784800000000, 0.0009846600000000 ] - [ -0.0122437200000000, -0.0027536500000000, 0.0024469200000000 ] - [ -0.0000907600000000, -0.0000001600000000, 0.0000579400000000 ] - [ -0.0002310700000000, -0.0000531300000000, 0.0003778800000000 ] - [ -0.0000018000000000, -0.0000035300000000, 0.0000385200000000 ] - [ -0.0000705200000000, 0.0000001300000000, 0.0000706300000000 ] - [ 0.0003645500000000, -0.0000639900000000, -0.0001458700000000 ] - [ -0.0000032800000000, -0.0000029000000000, 0.0002032300000000 ] - [ 0.0037754100000000, 0.0001890400000000, 0.0009374100000000 ] - [ 0.0007941000000000, 0.0000753300000000, 0.0012472500000000 ] - [ 0.0004897400000000, 0.0007017500000000, -0.0011918000000000 ] - [ 0.0031776800000000, -0.0000967200000000, 0.0011466900000000 ] - [ 0.0000739700000000, 0.0000027100000000, 0.0000845300000000 ] - [ 0.0003862100000000, 0.0000493000000000, -0.0000978300000000 ] - [ 0.0000751200000000, -0.0000003700000000, 0.0001353000000000 ] - [ 0.0000756000000000, -0.0000004300000000, 0.0002297800000000 ] - [ -0.0000014400000000, -0.0001389100000000, 0.0001635200000000 ] - [ -0.0003989500000000, 0.0000019600000000, 0.0003737800000000 ] - [ -0.0000023900000000, 0.0001390300000000, 0.0001646600000000 ] - [ 0.0004028200000000, 0.0000170200000000, 0.0005116600000000 ] - [ -0.0229015000000000, -0.0278957300000000, -0.0100835800000000 ] - [ -0.0052033000000000, 0.0024449000000000, -0.0024363300000000 ] - [ -0.0004095400000000, -0.0002446200000000, -0.0004163700000000 ] - [ 0.0019218800000000, -0.0020153400000000, -0.0057137100000000 ] - [ -0.0001493700000000, 0.0000015300000000, 0.0000618300000000 ] - [ 0.0069627400000000, -0.0005986600000000, -0.0030884900000000 ] - [ -0.0402220300000000, 0.0039922900000000, -0.0214444900000000 ] - [ -0.0010807800000000, -0.0005785300000000, 0.0027756800000000 ] - [ -0.0037510500000000, -0.0004400800000000, 0.0005932400000000 ] - [ -0.0002477400000000, -0.0000139500000000, 0.0000053500000000 ] - [ -0.0029919400000000, 0.0005042600000000, 0.0010241900000000 ] - [ 0.0000840500000000, 0.0000160400000000, 0.0000347800000000 ] - [ -0.0000613400000000, 0.0000279200000000, 0.0002318600000000 ] - [ -0.0001693900000000, -0.0001460700000000, -0.0004825400000000 ] - [ 0.0000322900000000, -0.0000000900000000, 0.0001829000000000 ] - [ 0.0000999000000000, 0.0000002400000000, 0.0001585600000000 ] - [ 0.0000695400000000, -0.0001423500000000, 0.0001591000000000 ] - [ 0.0000459900000000, 0.0000139200000000, 0.0001268400000000 ] - [ 0.0000699000000000, 0.0001424500000000, 0.0001609000000000 ] - [ -0.0002974800000000, 0.0002446600000000, -0.0002311600000000 ] - [ 0.0072638200000000, -0.0006044200000000, -0.0017365500000000 ] - [ 0.0029325700000000, -0.0000628900000000, 0.0007819300000000 ] - [ 0.0005016400000000, -0.0000242900000000, 0.0005798600000000 ] - [ 0.0028395200000000, -0.0012156600000000, 0.0043826600000000 ] - [ -0.0001991900000000, -0.0000032900000000, 0.0003432000000000 ] - [ -0.0036158700000000, 0.0005932100000000, 0.0018259300000000 ] - [ 0.0036103900000000, 0.0006705300000000, -0.0038143200000000 ] - [ 0.0010758000000000, 0.0002120800000000, -0.0009876700000000 ] - [ 0.0017161800000000, -0.0000264200000000, -0.0002231600000000 ] - [ 0.0001904200000000, -0.0000222000000000, 0.0002349200000000 ] - [ 0.0019102100000000, 0.0000167400000000, -0.0001430100000000 ] - [ -0.0000608800000000, -0.0000282700000000, 0.0002423600000000 ] - [ 0.0000911100000000, -0.0000161900000000, 0.0000448700000000 ] - [ 0.0004862600000000, 0.0001501400000000, 0.0006332500000000 ] - [ -0.0000264000000000, 0.0001373300000000, -0.0001354900000000 ] - [ -0.0000571000000000, -0.0000014300000000, -0.0000239700000000 ] - [ -0.0000452800000000, -0.0001411900000000, -0.0001063700000000 ] - [ -0.0000210800000000, 0.0000001400000000, -0.0001317800000000 ] - [ -0.0001094500000000, 0.0000002500000000, -0.0001232500000000 ] - [ 0.0001573300000000, -0.0000453100000000, -0.0000117900000000 ] - [ 0.0000788200000000, 0.0000001000000000, -0.0002398000000000 ] - [ -0.0000419300000000, 0.0000018600000000, -0.0000711900000000 ] - [ 0.0006127400000000, -0.0001865700000000, 0.0006140200000000 ] - [ 0.0001260800000000, 0.0000399900000000, -0.0000283700000000 ] - [ -0.0000372900000000, 0.0000251700000000, -0.0003168900000000 ] - [ -0.0000426800000000, -0.0000011700000000, -0.0000738600000000 ] - [ 0.0011313700000000, 0.0002215300000000, 0.0000139200000000 ] - [ -0.0025149400000000, -0.0003108800000000, 0.0072612700000000 ] - [ 0.0000349300000000, 0.0000187500000000, 0.0000095800000000 ] - [ -0.0003230600000000, 0.0001642700000000, 0.0009059100000000 ] - [ -0.0069074700000000, 0.0067571400000000, 0.0014469100000000 ] - [ -0.0018615300000000, 0.0000107000000000, -0.0014085900000000 ] - [ 0.0032712400000000, 0.0034178200000000, -0.0041033200000000 ] - [ -0.0000832400000000, 0.0000315700000000, -0.0008249600000000 ] - [ -0.0092603100000000, -0.0042220500000000, 0.0017665600000000 ] - [ -0.0004116000000000, -0.0001163600000000, 0.0065767900000000 ] - [ 0.0027351200000000, -0.0042837700000000, -0.0065148100000000 ] - [ 0.1093929600000000, 0.0325954200000000, 0.0304973600000000 ] - [ 0.0009872900000000, -0.0003167500000000, 0.0002929100000000 ] - [ -0.0015057600000000, -0.0001680000000000, -0.0011721300000000 ] - [ 0.0020066700000000, 0.0017408900000000, -0.0037060900000000 ] - [ 0.0066923300000000, -0.0026422900000000, 0.0013795400000000 ] - [ 0.0010448600000000, 0.0002587100000000, -0.0000066300000000 ] - [ 0.0001717500000000, -0.0000061600000000, -0.0000972200000000 ] - [ 0.0014706700000000, -0.0019340800000000, -0.0049586200000000 ] - [ -0.0002226900000000, 0.0000984500000000, 0.0005541600000000 ] - [ 0.0000191400000000, -0.0000018300000000, -0.0000373500000000 ] - [ 0.0001435500000000, 0.0000009600000000, -0.0001021200000000 ] - [ 0.0001481600000000, 0.0000186500000000, -0.0003009700000000 ] - [ 0.0000214500000000, 0.0000848800000000, -0.0007266100000000 ] - [ -0.0000344200000000, 0.0000012400000000, 0.0000225600000000 ] - [ 0.0000675200000000, 0.0000055800000000, 0.0000103500000000 ] - [ 0.0000648600000000, 0.0000296200000000, -0.0000497300000000 ] - [ 0.0000639400000000, -0.0000295000000000, -0.0000515600000000 ] - [ -0.0000450800000000, 0.0001411900000000, -0.0001053900000000 ] - [ -0.0001273400000000, -0.0000002700000000, 0.0000158200000000 ] - [ -0.0000268700000000, -0.0001374300000000, -0.0001366500000000 ] - [ -0.0000136500000000, 0.0000002400000000, -0.0001342500000000 ] - [ -0.0000021400000000, 0.0000017300000000, -0.0001735700000000 ] - [ -0.0002920600000000, 0.0000289100000000, -0.0000526900000000 ] - [ 0.0000732600000000, -0.0000002000000000, -0.0002515600000000 ] - [ -0.0001027300000000, -0.0000220700000000, -0.0001686200000000 ] - [ -0.0007012000000000, 0.0000297400000000, -0.0003684500000000 ] - [ -0.0002658400000000, -0.0000278700000000, -0.0000769000000000 ] - [ -0.0000327600000000, -0.0000162700000000, 0.0001001200000000 ] - [ -0.0000991600000000, 0.0000210300000000, -0.0001682400000000 ] - [ -0.0008134900000000, -0.0000427500000000, -0.0002025700000000 ] - [ -0.0018645600000000, 0.0000786500000000, -0.0017009800000000 ] - [ -0.0000754400000000, -0.0000352500000000, -0.0004946300000000 ] - [ -0.0003114800000000, -0.0000917100000000, -0.0011771000000000 ] - [ -0.0085883800000000, 0.0051863900000000, 0.0008657300000000 ] - [ 0.0015062700000000, 0.0004427300000000, 0.0018085000000000 ] - [ -0.0023427800000000, 0.0001905500000000, 0.0012014600000000 ] - [ -0.0001079600000000, -0.0001548700000000, 0.0004917200000000 ] - [ -0.0133067700000000, -0.0095622300000000, 0.0015863300000000 ] - [ -0.0014378100000000, 0.0002558900000000, -0.0011599100000000 ] - [ -0.0019399300000000, -0.0001883400000000, 0.0011165100000000 ] - [ -0.0052885900000000, -0.0009335600000000, -0.0004910200000000 ] - [ -0.0003870800000000, 0.0000108900000000, -0.0003148100000000 ] - [ 0.0017543700000000, 0.0000074600000000, 0.0018056500000000 ] - [ -0.0019295100000000, 0.0000445700000000, 0.0009495600000000 ] - [ -0.0036802500000000, 0.0006209200000000, -0.0001883000000000 ] - [ -0.0005942700000000, -0.0000202600000000, -0.0000662000000000 ] - [ -0.0001217800000000, 0.0000420100000000, -0.0000616200000000 ] - [ -0.0014106800000000, -0.0000356600000000, 0.0012185100000000 ] - [ -0.0002073200000000, -0.0001985600000000, -0.0010808800000000 ] - [ -0.0000400800000000, -0.0000013400000000, 0.0000074100000000 ] - [ -0.0001115600000000, -0.0000424800000000, -0.0000861400000000 ] - [ 0.0001956100000000, -0.0000060600000000, -0.0000210500000000 ] - [ -0.0000070500000000, -0.0001003400000000, 0.0002913000000000 ] - [ 0.0000299700000000, 0.0000012400000000, -0.0000323200000000 ] - [ -0.0000194200000000, -0.0000200800000000, -0.0004112900000000 ] - [ 0.0000075700000000, 0.0000159000000000, -0.0001261200000000 ] - [ 0.0000108000000000, -0.0000163200000000, -0.0001251600000000 ]- atom: 84 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000252000000000, -0.0000047000000000, -0.0001716500000000 ] - [ -0.0000612000000000, -0.0000000500000000, -0.0001147100000000 ] - [ 0.0001532500000000, -0.0000211200000000, -0.0000877600000000 ] - [ -0.0000737000000000, -0.0000004400000000, -0.0000480800000000 ] - [ -0.0028103300000000, 0.0094009500000000, 0.0048813600000000 ] - [ 0.0001532600000000, 0.0000498800000000, 0.0001373300000000 ] - [ -0.0013745400000000, 0.0001470300000000, -0.0006580600000000 ] - [ 0.0032700400000000, 0.0088945700000000, -0.0036790400000000 ] - [ -0.0000099300000000, 0.0000012700000000, -0.0001410900000000 ] - [ 0.0001006200000000, 0.0000269400000000, -0.0002808300000000 ] - [ 0.0000453200000000, -0.0000045300000000, -0.0001742300000000 ] - [ -0.0000656300000000, 0.0000001500000000, -0.0001029400000000 ] - [ -0.0000893200000000, 0.0000007700000000, -0.0000367300000000 ] - [ -0.0001237500000000, -0.0000000900000000, -0.0000511000000000 ] - [ 0.0005303600000000, 0.0000843600000000, 0.0007464000000000 ] - [ 0.0008217200000000, 0.0000591600000000, 0.0006159200000000 ] - [ 0.0001323900000000, 0.0000508000000000, 0.0001606500000000 ] - [ -0.0011662600000000, 0.0001244200000000, -0.0007316600000000 ] - [ -0.0000675300000000, 0.0000002000000000, -0.0001234700000000 ] - [ 0.0000969900000000, 0.0000019600000000, -0.0000614600000000 ] - [ 0.0000600200000000, -0.0000001400000000, -0.0001510600000000 ] - [ 0.0000743700000000, 0.0000006700000000, -0.0001767800000000 ] - [ 0.0000124200000000, -0.0001584200000000, -0.0001610200000000 ] - [ -0.0001346300000000, 0.0000012800000000, -0.0001401700000000 ] - [ 0.0000123800000000, 0.0001575500000000, -0.0001589300000000 ] - [ -0.0002288900000000, 0.0000718600000000, -0.0001694700000000 ] - [ 0.0305211400000000, 0.0629577100000000, 0.0223016300000000 ] - [ -0.0017043500000000, -0.0005560800000000, 0.0022025900000000 ] - [ 0.0000586900000000, 0.0001435000000000, -0.0001034200000000 ] - [ 0.0013608900000000, -0.0005360300000000, -0.0021335500000000 ] - [ -0.0001658600000000, 0.0000000400000000, -0.0001412100000000 ] - [ -0.0004254900000000, 0.0024396800000000, 0.0006339900000000 ] - [ -0.0054303200000000, 0.0096989700000000, -0.0036097900000000 ] - [ 0.0001060200000000, 0.0003391900000000, -0.0023475400000000 ] - [ 0.0006199800000000, 0.0024893300000000, -0.0003511700000000 ] - [ 0.0000611800000000, -0.0000084700000000, -0.0000406300000000 ] - [ 0.0008747100000000, -0.0026155400000000, -0.0003794700000000 ] - [ 0.0000247100000000, 0.0000374100000000, -0.0001571500000000 ] - [ 0.0000376100000000, -0.0000458600000000, -0.0002142900000000 ] - [ 0.0003089400000000, -0.0000064000000000, -0.0000789400000000 ] - [ 0.0000671200000000, -0.0000004800000000, -0.0001691700000000 ] - [ 0.0000760300000000, 0.0000003700000000, -0.0001567100000000 ] - [ -0.0000021500000000, -0.0001598500000000, -0.0001536900000000 ] - [ -0.0001888500000000, 0.0000000300000000, -0.0000527700000000 ] - [ -0.0000025400000000, 0.0001598400000000, -0.0001520100000000 ] - [ 0.0000593900000000, -0.0001409300000000, -0.0001073800000000 ] - [ -0.0022909100000000, 0.0002674200000000, 0.0010833700000000 ] - [ -0.0005197200000000, 0.0000164800000000, -0.0001294300000000 ] - [ -0.0002724800000000, -0.0000619300000000, -0.0002010400000000 ] - [ 0.0018207100000000, -0.0005491100000000, 0.0014783600000000 ] - [ -0.0001657200000000, 0.0000014800000000, -0.0001910400000000 ] - [ 0.0004635500000000, -0.0066511600000000, 0.0005465900000000 ] - [ -0.0004053400000000, -0.0025463600000000, 0.0008488700000000 ] - [ -0.0001190600000000, -0.0000046000000000, 0.0003190200000000 ] - [ -0.0000322800000000, -0.0001990100000000, 0.0000982700000000 ] - [ -0.0001000200000000, 0.0000017500000000, -0.0001050800000000 ] - [ 0.0000163100000000, 0.0002004300000000, 0.0001277500000000 ] - [ 0.0000329600000000, 0.0000450900000000, -0.0002212900000000 ] - [ 0.0000256500000000, -0.0000375900000000, -0.0001575400000000 ] - [ -0.0000933500000000, -0.0000727800000000, 0.0000281800000000 ] - [ -0.0000174500000000, 0.0001319900000000, 0.0000961800000000 ] - [ -0.0001108100000000, -0.0000001900000000, 0.0002717100000000 ] - [ -0.0000173400000000, -0.0001333000000000, 0.0000841500000000 ] - [ -0.0000353000000000, -0.0000003000000000, 0.0000885400000000 ] - [ -0.0000857900000000, -0.0000001000000000, 0.0000466100000000 ] - [ -0.0000986200000000, 0.0000117800000000, 0.0001362500000000 ] - [ 0.0000712800000000, -0.0000000200000000, -0.0000150300000000 ] - [ -0.0000547200000000, 0.0000057400000000, 0.0000681800000000 ] - [ -0.0000608900000000, -0.0000028600000000, -0.0002797100000000 ] - [ -0.0000931500000000, -0.0000138400000000, 0.0001316400000000 ] - [ -0.0000420700000000, -0.0000040000000000, 0.0001158300000000 ] - [ -0.0000545800000000, -0.0000059900000000, 0.0000669800000000 ] - [ -0.0006154700000000, -0.0000486400000000, 0.0004017900000000 ] - [ -0.0002398400000000, -0.0020434300000000, -0.0001918400000000 ] - [ -0.0000787700000000, 0.0000004100000000, 0.0000861100000000 ] - [ -0.0000322300000000, 0.0000387600000000, -0.0000433000000000 ] - [ -0.0042904100000000, 0.0021217600000000, -0.0003025700000000 ] - [ 0.0000435400000000, -0.0005514100000000, -0.0001824800000000 ] - [ -0.0016040500000000, 0.0021170800000000, -0.0041674800000000 ] - [ 0.0001507300000000, -0.0006123300000000, 0.0002597600000000 ] - [ 0.0063827900000000, 0.0020619700000000, -0.0013109500000000 ] - [ -0.0001567600000000, -0.0019653600000000, -0.0003313200000000 ] - [ 0.0027776000000000, 0.0035836200000000, 0.0089333400000000 ] - [ -0.0311350500000000, -0.1310755400000000, -0.0232029400000000 ] - [ 0.0002918300000000, -0.0000374500000000, -0.0002545000000000 ] - [ 0.0001295600000000, -0.0005935400000000, -0.0000729700000000 ] - [ -0.0012975400000000, 0.0017441800000000, -0.0048802100000000 ] - [ -0.0025606500000000, 0.0292783200000000, -0.0018757000000000 ] - [ -0.0005048400000000, -0.0000349500000000, 0.0004707300000000 ] - [ -0.0000061800000000, 0.0000266400000000, 0.0001111500000000 ] - [ 0.0010145300000000, 0.0020699400000000, 0.0061483700000000 ] - [ 0.0000570200000000, -0.0000154700000000, -0.0000676000000000 ] - [ -0.0000280700000000, -0.0000004800000000, 0.0002477200000000 ] - [ -0.0000004200000000, -0.0000300000000000, 0.0000994200000000 ] - [ 0.0001734400000000, -0.0000078300000000, 0.0000599300000000 ] - [ 0.0002517100000000, -0.0005577600000000, 0.0002485200000000 ] - [ -0.0000157500000000, -0.0000002300000000, 0.0002010400000000 ] - [ -0.0000329400000000, 0.0000003000000000, 0.0001218700000000 ] - [ 0.0000498300000000, 0.0000270000000000, 0.0001160500000000 ] - [ 0.0000501000000000, -0.0000275900000000, 0.0001139500000000 ] - [ -0.0000173000000000, 0.0001329000000000, 0.0000850500000000 ] - [ -0.0000984500000000, -0.0000003500000000, 0.0002490800000000 ] - [ -0.0000173900000000, -0.0001324700000000, 0.0000951600000000 ] - [ -0.0000384600000000, -0.0000002700000000, 0.0000880200000000 ] - [ -0.0001004400000000, -0.0000004600000000, 0.0000630300000000 ] - [ -0.0000239300000000, -0.0000231000000000, 0.0001084900000000 ] - [ 0.0000717200000000, 0.0000000400000000, -0.0000133800000000 ] - [ -0.0000364400000000, 0.0000121000000000, 0.0000856200000000 ] - [ -0.0000731000000000, -0.0000059200000000, 0.0001047600000000 ] - [ -0.0000251700000000, 0.0000227600000000, 0.0001070700000000 ] - [ -0.0000404900000000, 0.0000003900000000, 0.0000275000000000 ] - [ -0.0000373800000000, -0.0000115700000000, 0.0000834400000000 ] - [ 0.0001574200000000, 0.0000115200000000, -0.0000901100000000 ] - [ 0.0001317800000000, 0.0007789000000000, -0.0001332200000000 ] - [ 0.0000271800000000, 0.0000143700000000, 0.0001887400000000 ] - [ 0.0002628100000000, 0.0008442200000000, 0.0003889000000000 ] - [ -0.0048767300000000, 0.0017453400000000, 0.0001838400000000 ] - [ -0.0003948200000000, 0.0011866900000000, -0.0000123700000000 ] - [ -0.0000483900000000, -0.0000453000000000, 0.0002242000000000 ] - [ -0.0000355000000000, -0.0000394300000000, -0.0000318500000000 ] - [ 0.0096741500000000, 0.0035940300000000, -0.0005016200000000 ] - [ 0.0002183500000000, 0.0006475000000000, -0.0000168700000000 ] - [ 0.0002780300000000, -0.0000222700000000, -0.0007688200000000 ] - [ 0.0009691500000000, 0.0014538500000000, 0.0001389500000000 ] - [ 0.0002061500000000, -0.0000134900000000, 0.0000081200000000 ] - [ -0.0000453100000000, 0.0011102500000000, -0.0005302900000000 ] - [ -0.0001703100000000, -0.0000168800000000, 0.0002180400000000 ] - [ 0.0006556100000000, -0.0009953500000000, 0.0000716500000000 ] - [ 0.0002271800000000, 0.0000168400000000, -0.0000541400000000 ] - [ 0.0000452700000000, 0.0000042000000000, 0.0000561700000000 ] - [ 0.0003415400000000, -0.0000313200000000, -0.0007057700000000 ] - [ 0.0003127800000000, 0.0007913400000000, 0.0004038200000000 ] - [ -0.0000167300000000, -0.0000002700000000, 0.0002229600000000 ] - [ 0.0000455300000000, -0.0000050100000000, 0.0000544200000000 ] - [ 0.0001549000000000, 0.0000003800000000, -0.0000079200000000 ] - [ 0.0000670900000000, 0.0000148100000000, -0.0000755300000000 ] - [ -0.0000224300000000, 0.0000000000000000, 0.0002213400000000 ] - [ 0.0000560000000000, 0.0000131400000000, 0.0002170400000000 ] - [ 0.0000716500000000, 0.0000319300000000, 0.0001337200000000 ] - [ 0.0000704400000000, -0.0000317100000000, 0.0001298700000000 ]- atom: 84 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000401200000000, -0.0000031000000000, 0.0000179700000000 ] - [ -0.0000933700000000, 0.0000004900000000, 0.0000824300000000 ] - [ -0.0002705800000000, 0.0000218300000000, 0.0000708200000000 ] - [ -0.0001246900000000, 0.0000007000000000, 0.0001367600000000 ] - [ 0.0023547900000000, -0.0088057400000000, -0.0043363900000000 ] - [ -0.0000841700000000, -0.0000412700000000, -0.0001430200000000 ] - [ 0.0014258800000000, -0.0001467000000000, 0.0007008200000000 ] - [ -0.0028816100000000, -0.0083150500000000, 0.0030277600000000 ] - [ -0.0000374500000000, -0.0000029900000000, 0.0000662600000000 ] - [ 0.0001425400000000, -0.0000267900000000, 0.0002401000000000 ] - [ 0.0000198300000000, -0.0000032400000000, 0.0000203300000000 ] - [ -0.0000890300000000, 0.0000002900000000, 0.0000703400000000 ] - [ -0.0000275100000000, 0.0000000500000000, 0.0000194200000000 ] - [ -0.0000746100000000, 0.0000003900000000, 0.0001395900000000 ] - [ -0.0005362700000000, -0.0000828400000000, -0.0007781200000000 ] - [ -0.0007483500000000, -0.0000579600000000, -0.0006190300000000 ] - [ -0.0000870900000000, -0.0000423500000000, -0.0001246100000000 ] - [ 0.0011777000000000, -0.0001231700000000, 0.0006749900000000 ] - [ 0.0000208400000000, -0.0000017900000000, 0.0000488800000000 ] - [ 0.0001481200000000, -0.0000014900000000, 0.0000183400000000 ] - [ 0.0000584000000000, -0.0000009500000000, 0.0001183700000000 ] - [ 0.0000895000000000, -0.0000008700000000, 0.0001689500000000 ] - [ 0.0000248900000000, -0.0001401200000000, 0.0001352700000000 ] - [ -0.0001774100000000, -0.0000019900000000, 0.0002666200000000 ] - [ 0.0000250900000000, 0.0001403400000000, 0.0001373300000000 ] - [ 0.0001589300000000, 0.0001074300000000, 0.0001505100000000 ] - [ -0.0325427600000000, -0.0661083300000000, -0.0237167100000000 ] - [ 0.0016101600000000, 0.0005357300000000, -0.0021644400000000 ] - [ -0.0001285400000000, -0.0003236000000000, 0.0000859300000000 ] - [ -0.0012689000000000, 0.0005158900000000, 0.0020074000000000 ] - [ -0.0001730000000000, -0.0000002600000000, 0.0001525200000000 ] - [ 0.0004575100000000, -0.0025335100000000, -0.0006745800000000 ] - [ 0.0052726600000000, -0.0095399300000000, 0.0034410600000000 ] - [ -0.0002285800000000, -0.0003412800000000, 0.0024219800000000 ] - [ -0.0003676800000000, -0.0025279100000000, 0.0003072300000000 ] - [ -0.0001433200000000, 0.0000078200000000, 0.0000277400000000 ] - [ -0.0006089700000000, 0.0026535700000000, 0.0003514200000000 ] - [ 0.0000248500000000, -0.0000125000000000, 0.0000747200000000 ] - [ 0.0000116000000000, 0.0000203900000000, 0.0001313400000000 ] - [ -0.0002148100000000, 0.0000043100000000, 0.0000552300000000 ] - [ 0.0000509400000000, 0.0000000200000000, 0.0001369600000000 ] - [ 0.0000877700000000, -0.0000005800000000, 0.0001484200000000 ] - [ 0.0000396100000000, -0.0001386200000000, 0.0001278800000000 ] - [ -0.0001233200000000, -0.0000006100000000, 0.0001786200000000 ] - [ 0.0000401000000000, 0.0001379800000000, 0.0001303100000000 ] - [ -0.0001305200000000, 0.0003203700000000, 0.0000883600000000 ] - [ 0.0023084600000000, -0.0002703800000000, -0.0010437500000000 ] - [ 0.0004332700000000, -0.0000180200000000, 0.0001825000000000 ] - [ 0.0002035000000000, -0.0001180600000000, 0.0001824500000000 ] - [ -0.0017133400000000, 0.0005529300000000, -0.0016032600000000 ] - [ -0.0001729200000000, -0.0000017200000000, 0.0002021800000000 ] - [ -0.0004795600000000, 0.0065710700000000, -0.0006148400000000 ] - [ 0.0004600700000000, 0.0026391700000000, -0.0008824400000000 ] - [ -0.0000065200000000, 0.0000023200000000, -0.0002588300000000 ] - [ 0.0003072200000000, 0.0001701600000000, -0.0001341700000000 ] - [ 0.0000195800000000, -0.0000022700000000, 0.0000931100000000 ] - [ 0.0002606700000000, -0.0001723300000000, -0.0001647500000000 ] - [ 0.0000161600000000, -0.0000204100000000, 0.0001395700000000 ] - [ 0.0000239500000000, 0.0000119700000000, 0.0000738500000000 ] - [ 0.0001904900000000, 0.0000716400000000, -0.0000485700000000 ] - [ -0.0000343600000000, 0.0001367400000000, -0.0001057100000000 ] - [ -0.0000906300000000, -0.0000003600000000, 0.0000133100000000 ] - [ -0.0000345600000000, -0.0001366100000000, -0.0000951600000000 ] - [ -0.0000215800000000, -0.0000000300000000, -0.0001111300000000 ] - [ -0.0000633400000000, -0.0000003500000000, -0.0001244700000000 ] - [ -0.0000265400000000, -0.0000355500000000, -0.0000471100000000 ] - [ 0.0000765900000000, -0.0000002000000000, -0.0002242500000000 ] - [ -0.0000598300000000, -0.0000095700000000, -0.0000934200000000 ] - [ -0.0002428700000000, 0.0000036100000000, 0.0004349200000000 ] - [ -0.0000321800000000, 0.0000369800000000, -0.0000449100000000 ] - [ -0.0000504700000000, 0.0000038600000000, -0.0000961800000000 ] - [ -0.0000599500000000, 0.0000092200000000, -0.0000938900000000 ] - [ 0.0005565300000000, 0.0000467600000000, -0.0004640700000000 ] - [ 0.0002617200000000, 0.0019215300000000, 0.0000231400000000 ] - [ 0.0000362700000000, -0.0000009400000000, -0.0001863200000000 ] - [ 0.0000516300000000, 0.0001796200000000, 0.0000752400000000 ] - [ 0.0044415800000000, -0.0020847200000000, 0.0003521900000000 ] - [ -0.0000651800000000, 0.0006794700000000, 0.0000456100000000 ] - [ 0.0015956800000000, -0.0020799000000000, 0.0042377800000000 ] - [ -0.0001333600000000, 0.0003924300000000, -0.0002263300000000 ] - [ -0.0066416800000000, -0.0020699900000000, 0.0013594900000000 ] - [ 0.0000832500000000, 0.0019937500000000, 0.0003143200000000 ] - [ -0.0029158900000000, -0.0036347600000000, -0.0090482800000000 ] - [ 0.0335124300000000, 0.1330660100000000, 0.0250434200000000 ] - [ -0.0000295800000000, 0.0000345500000000, 0.0001929500000000 ] - [ -0.0001868400000000, 0.0005716700000000, 0.0000019300000000 ] - [ 0.0013178900000000, -0.0017601200000000, 0.0049487000000000 ] - [ 0.0026693100000000, -0.0292284000000000, 0.0021068300000000 ] - [ 0.0005974100000000, 0.0000368800000000, -0.0004523100000000 ] - [ 0.0000449000000000, 0.0000039800000000, -0.0001098300000000 ] - [ -0.0009843000000000, -0.0020783100000000, -0.0061969300000000 ] - [ 0.0001616900000000, 0.0001256700000000, 0.0000283400000000 ] - [ -0.0000089400000000, 0.0000000600000000, -0.0000012300000000 ] - [ 0.0000390900000000, -0.0000014600000000, -0.0000992500000000 ] - [ 0.0001488400000000, 0.0000075000000000, -0.0001419200000000 ] - [ -0.0000324900000000, 0.0004500800000000, -0.0002983500000000 ] - [ -0.0000060200000000, -0.0000002100000000, 0.0000216600000000 ] - [ 0.0000727400000000, -0.0000005900000000, -0.0001387900000000 ] - [ 0.0000506600000000, 0.0000224900000000, -0.0000593300000000 ] - [ 0.0000497500000000, -0.0000229700000000, -0.0000596400000000 ] - [ -0.0000343900000000, 0.0001361500000000, -0.0000946300000000 ] - [ -0.0001031200000000, -0.0000000500000000, 0.0000360600000000 ] - [ -0.0000345700000000, -0.0001372100000000, -0.0001061500000000 ] - [ -0.0000182800000000, -0.0000000500000000, -0.0001105200000000 ] - [ -0.0000487700000000, 0.0000000300000000, -0.0001408900000000 ] - [ -0.0001009000000000, -0.0000003400000000, -0.0000191800000000 ] - [ 0.0000763600000000, -0.0000002500000000, -0.0002259600000000 ] - [ -0.0000781200000000, -0.0000157800000000, -0.0001108300000000 ] - [ -0.0002310600000000, 0.0000055400000000, 0.0000508900000000 ] - [ -0.0000999800000000, 0.0000001100000000, -0.0000201400000000 ] - [ -0.0000515300000000, -0.0000005300000000, -0.0000080400000000 ] - [ -0.0000771700000000, 0.0000145500000000, -0.0001103000000000 ] - [ -0.0002170100000000, -0.0000120700000000, 0.0000283200000000 ] - [ -0.0001549600000000, -0.0009068800000000, -0.0000030300000000 ] - [ -0.0000700500000000, -0.0000148800000000, -0.0002889800000000 ] - [ -0.0002464900000000, -0.0006244200000000, -0.0003556900000000 ] - [ 0.0049899000000000, -0.0017613600000000, -0.0001518200000000 ] - [ 0.0003763400000000, -0.0010599600000000, -0.0001109000000000 ] - [ 0.0000112900000000, 0.0000425800000000, -0.0001688000000000 ] - [ 0.0000526400000000, -0.0001796700000000, 0.0000653800000000 ] - [ -0.0097979300000000, -0.0036452000000000, 0.0005455100000000 ] - [ -0.0002754800000000, -0.0006268800000000, -0.0000518900000000 ] - [ -0.0004362500000000, 0.0000241100000000, 0.0006199700000000 ] - [ -0.0009030900000000, -0.0014579000000000, 0.0000682200000000 ] - [ 0.0000520400000000, 0.0000131800000000, -0.0000724800000000 ] - [ 0.0000028300000000, -0.0011339400000000, 0.0004575600000000 ] - [ 0.0001861400000000, 0.0000176100000000, -0.0001358100000000 ] - [ -0.0005879300000000, 0.0009998500000000, 0.0001337200000000 ] - [ -0.0001418300000000, -0.0000173600000000, 0.0000742600000000 ] - [ -0.0000075500000000, 0.0000267000000000, -0.0000545800000000 ] - [ -0.0002910900000000, 0.0000298100000000, 0.0007452500000000 ] - [ -0.0000933200000000, -0.0006838800000000, -0.0004505200000000 ] - [ -0.0000204000000000, -0.0000001000000000, 0.0000237300000000 ] - [ -0.0000077300000000, -0.0000265500000000, -0.0000540100000000 ] - [ 0.0001675600000000, -0.0000006500000000, -0.0000730000000000 ] - [ 0.0001543800000000, -0.0001257700000000, 0.0000307100000000 ] - [ 0.0000007700000000, -0.0000004000000000, 0.0000012100000000 ] - [ -0.0000167100000000, -0.0000134000000000, -0.0002353300000000 ] - [ 0.0000285300000000, 0.0000174600000000, -0.0000772700000000 ] - [ 0.0000292600000000, -0.0000181300000000, -0.0000761600000000 ]- atom: 84 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0000231600000000, -0.0000061400000000, -0.0009599800000000 ] - [ 0.0000084000000000, -0.0000009500000000, -0.0008835900000000 ] - [ 0.0001587100000000, -0.0001067100000000, -0.0012489000000000 ] - [ -0.0000486400000000, -0.0000071600000000, -0.0009519000000000 ] - [ -0.0011253100000000, 0.0037248300000000, 0.0148841400000000 ] - [ 0.0011203900000000, -0.0009355100000000, -0.0004948600000000 ] - [ -0.0025064500000000, 0.0002067800000000, -0.0006535200000000 ] - [ 0.0007355600000000, -0.0012249000000000, 0.0136722400000000 ] - [ 0.0000726400000000, 0.0000089100000000, -0.0009587000000000 ] - [ 0.0001264600000000, 0.0001093300000000, -0.0014423500000000 ] - [ 0.0000970600000000, -0.0000052700000000, -0.0009894800000000 ] - [ 0.0000205700000000, -0.0000003700000000, -0.0008507500000000 ] - [ -0.0000692100000000, -0.0000682100000000, -0.0005658900000000 ] - [ -0.0002332400000000, -0.0000077400000000, -0.0008744100000000 ] - [ -0.0011900500000000, 0.0000113200000000, 0.0017392900000000 ] - [ -0.0022377100000000, -0.0003062600000000, -0.0010582700000000 ] - [ 0.0015042600000000, 0.0011299500000000, -0.0005536000000000 ] - [ -0.0009263400000000, 0.0000169000000000, 0.0019543900000000 ] - [ -0.0001806000000000, 0.0000070900000000, -0.0008262800000000 ] - [ 0.0001765800000000, 0.0000818900000000, -0.0006956800000000 ] - [ 0.0001025700000000, 0.0000001200000000, -0.0013254700000000 ] - [ -0.0000005600000000, 0.0000029800000000, -0.0015305800000000 ] - [ -0.0000715200000000, -0.0002005500000000, -0.0013662900000000 ] - [ -0.0000966000000000, 0.0000210300000000, -0.0015271000000000 ] - [ -0.0000729700000000, 0.0002007500000000, -0.0013658800000000 ] - [ -0.0007815900000000, 0.0001207600000000, -0.0012006400000000 ] - [ 0.0125876700000000, 0.0233147700000000, 0.0199262100000000 ] - [ 0.0039203300000000, 0.0026503400000000, -0.0027745300000000 ] - [ 0.0004228400000000, -0.0000574300000000, -0.0014743500000000 ] - [ 0.0041829000000000, -0.0029577900000000, 0.0049005600000000 ] - [ -0.0000917100000000, 0.0000035600000000, -0.0013520500000000 ] - [ 0.0013651200000000, 0.0002930400000000, 0.0052042300000000 ] - [ 0.0285164000000000, -0.0033306900000000, 0.0309306000000000 ] - [ 0.0001208000000000, 0.0008058900000000, -0.0047663000000000 ] - [ 0.0006342300000000, 0.0004106700000000, -0.0057017200000000 ] - [ 0.0002772000000000, -0.0000314600000000, -0.0018031900000000 ] - [ 0.0028999800000000, -0.0004915800000000, -0.0025297000000000 ] - [ 0.0000697700000000, 0.0000599900000000, -0.0012925300000000 ] - [ -0.0000561200000000, -0.0001154400000000, -0.0014870400000000 ] - [ 0.0010841500000000, -0.0002590000000000, -0.0013533400000000 ] - [ 0.0001065700000000, -0.0000006800000000, -0.0014037800000000 ] - [ 0.0000464600000000, 0.0000017300000000, -0.0014667500000000 ] - [ -0.0001084000000000, -0.0002082200000000, -0.0013194100000000 ] - [ -0.0000897200000000, 0.0000184500000000, -0.0012060300000000 ] - [ -0.0001110300000000, 0.0002085300000000, -0.0013194900000000 ] - [ 0.0005596800000000, 0.0000625900000000, -0.0012973300000000 ] - [ -0.0019005200000000, 0.0003217100000000, 0.0035547600000000 ] - [ -0.0016298300000000, 0.0000974700000000, 0.0002564500000000 ] - [ -0.0009972300000000, -0.0001061100000000, -0.0013250800000000 ] - [ -0.0051383600000000, 0.0009842000000000, 0.0023160500000000 ] - [ -0.0001683500000000, 0.0000081500000000, -0.0014923900000000 ] - [ -0.0014755800000000, -0.0006752400000000, 0.0070115300000000 ] - [ -0.0001066200000000, -0.0003364800000000, 0.0043457200000000 ] - [ 0.0001296300000000, 0.0002082200000000, 0.0003959000000000 ] - [ -0.0003013900000000, -0.0001395100000000, 0.0004349600000000 ] - [ -0.0002777600000000, -0.0000035400000000, -0.0009542500000000 ] - [ -0.0000760400000000, 0.0001419700000000, 0.0004719700000000 ] - [ -0.0000771600000000, 0.0001145400000000, -0.0015156100000000 ] - [ 0.0000827700000000, -0.0000602000000000, -0.0012771000000000 ] - [ -0.0012122100000000, -0.0002532000000000, -0.0015327700000000 ] - [ 0.0000725500000000, 0.0001017300000000, 0.0009014200000000 ] - [ -0.0001498100000000, -0.0000011900000000, 0.0013623200000000 ] - [ 0.0000524600000000, -0.0001089600000000, 0.0008515200000000 ] - [ -0.0001205000000000, -0.0000006100000000, 0.0009219900000000 ] - [ -0.0001993100000000, 0.0000014400000000, 0.0007582900000000 ] - [ -0.0000375500000000, -0.0000953900000000, 0.0009943100000000 ] - [ 0.0000534100000000, 0.0000007600000000, 0.0008216200000000 ] - [ 0.0000022100000000, 0.0000580600000000, 0.0007869900000000 ] - [ -0.0006927300000000, -0.0000796700000000, 0.0014766400000000 ] - [ -0.0000182400000000, 0.0000927600000000, 0.0009552900000000 ] - [ -0.0000067700000000, -0.0000431500000000, 0.0009441300000000 ] - [ 0.0000029900000000, -0.0000575000000000, 0.0007809900000000 ] - [ -0.0010606800000000, 0.0000665400000000, 0.0012630400000000 ] - [ -0.0069192200000000, 0.0000848300000000, 0.0032603800000000 ] - [ -0.0002260200000000, 0.0000209100000000, 0.0010043600000000 ] - [ -0.0005171900000000, 0.0000566800000000, 0.0005096800000000 ] - [ 0.0019189900000000, -0.0022073700000000, -0.0062986200000000 ] - [ 0.0015553000000000, -0.0000444600000000, -0.0005638900000000 ] - [ 0.0018978100000000, -0.0064037000000000, 0.0051491300000000 ] - [ 0.0007218800000000, -0.0004031200000000, 0.0014102200000000 ] - [ 0.0032917600000000, 0.0011855300000000, -0.0042245100000000 ] - [ -0.0064892100000000, 0.0003378600000000, 0.0053292900000000 ] - [ 0.0036840200000000, 0.0092722500000000, 0.0102774200000000 ] - [ -0.0471140500000000, -0.0285988100000000, -0.0936995200000000 ] - [ -0.0004927100000000, -0.0002280100000000, 0.0016083700000000 ] - [ 0.0013042500000000, -0.0000328400000000, -0.0007533300000000 ] - [ 0.0027815500000000, -0.0049183600000000, 0.0064878300000000 ] - [ -0.0021821300000000, 0.0023193500000000, -0.0070838000000000 ] - [ -0.0008985000000000, 0.0002016200000000, 0.0014932000000000 ] - [ 0.0000877500000000, -0.0000838100000000, 0.0010225900000000 ] - [ 0.0017892200000000, 0.0039096100000000, 0.0064451400000000 ] - [ -0.0007210800000000, -0.0000036000000000, 0.0005203000000000 ] - [ -0.0000512200000000, -0.0000021000000000, 0.0012905800000000 ] - [ 0.0000966200000000, 0.0000730600000000, 0.0009674300000000 ] - [ 0.0002520900000000, -0.0000336200000000, 0.0008678700000000 ] - [ 0.0009539500000000, -0.0003244800000000, 0.0013512900000000 ] - [ -0.0000595500000000, 0.0000010400000000, 0.0009456500000000 ] - [ -0.0001915000000000, 0.0000105100000000, 0.0010585200000000 ] - [ 0.0000751200000000, 0.0000249000000000, 0.0008802500000000 ] - [ 0.0000768600000000, -0.0000259200000000, 0.0008737900000000 ] - [ 0.0000522900000000, 0.0001090900000000, 0.0008534500000000 ] - [ -0.0001467700000000, -0.0000014000000000, 0.0012516900000000 ] - [ 0.0000732000000000, -0.0001016200000000, 0.0008985200000000 ] - [ -0.0001313800000000, -0.0000006100000000, 0.0009201200000000 ] - [ -0.0002190900000000, 0.0000006200000000, 0.0008390000000000 ] - [ 0.0000662100000000, -0.0000779600000000, 0.0007249800000000 ] - [ 0.0000536400000000, 0.0000010900000000, 0.0008241600000000 ] - [ 0.0000783600000000, 0.0000773900000000, 0.0008187600000000 ] - [ 0.0002344400000000, -0.0000222900000000, 0.0004678400000000 ] - [ 0.0000849200000000, 0.0000773200000000, 0.0006956300000000 ] - [ -0.0003486300000000, -0.0000166700000000, 0.0008001500000000 ] - [ 0.0000760200000000, -0.0000753500000000, 0.0008090400000000 ] - [ 0.0005241200000000, 0.0000339200000000, 0.0001911100000000 ] - [ 0.0018799600000000, -0.0000139400000000, -0.0007925700000000 ] - [ 0.0001192200000000, 0.0000612800000000, 0.0013051700000000 ] - [ 0.0011082400000000, 0.0005639500000000, 0.0020812000000000 ] - [ 0.0018035300000000, -0.0008112300000000, -0.0049975400000000 ] - [ -0.0020837800000000, 0.0000459200000000, -0.0017223800000000 ] - [ 0.0000382800000000, 0.0003551600000000, -0.0013650000000000 ] - [ -0.0002881400000000, -0.0000521600000000, 0.0001184700000000 ] - [ 0.0032437500000000, 0.0025135500000000, -0.0061862800000000 ] - [ 0.0012857100000000, -0.0000333700000000, -0.0008722100000000 ] - [ -0.0000500500000000, -0.0002745000000000, -0.0018215600000000 ] - [ 0.0013905800000000, 0.0001740700000000, -0.0014202300000000 ] - [ 0.0004826100000000, 0.0000140900000000, 0.0002544300000000 ] - [ -0.0021009000000000, -0.0005092100000000, -0.0015215800000000 ] - [ -0.0002459800000000, 0.0002071200000000, -0.0011712000000000 ] - [ 0.0008592400000000, -0.0000628900000000, -0.0015521300000000 ] - [ 0.0005551800000000, -0.0000078300000000, 0.0000467900000000 ] - [ 0.0000949500000000, -0.0000334600000000, 0.0006391100000000 ] - [ -0.0001212200000000, -0.0002336300000000, -0.0019474300000000 ] - [ 0.0013349200000000, 0.0004710000000000, 0.0020183200000000 ] - [ -0.0000595400000000, -0.0000013500000000, 0.0011648000000000 ] - [ 0.0001171500000000, 0.0000314700000000, 0.0006039100000000 ] - [ -0.0001834100000000, -0.0000113400000000, 0.0007704600000000 ] - [ -0.0003414500000000, -0.0000067500000000, 0.0001084700000000 ] - [ -0.0000417100000000, 0.0000019100000000, 0.0010530100000000 ] - [ 0.0001405400000000, 0.0000345600000000, 0.0013230400000000 ] - [ 0.0001746500000000, 0.0000445900000000, 0.0009104900000000 ] - [ 0.0001734800000000, -0.0000454400000000, 0.0008996600000000 ]- atom: 84 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0000416400000000, -0.0000012500000000, 0.0008061700000000 ] - [ -0.0001610400000000, 0.0000018000000000, 0.0008504700000000 ] - [ -0.0002764300000000, 0.0001067100000000, 0.0012290700000000 ] - [ -0.0001491300000000, 0.0000077300000000, 0.0010396400000000 ] - [ 0.0008636800000000, -0.0033453500000000, -0.0146677400000000 ] - [ -0.0010478700000000, 0.0009344200000000, 0.0004917100000000 ] - [ 0.0025602300000000, -0.0002070200000000, 0.0006898200000000 ] - [ -0.0004602600000000, 0.0016445100000000, -0.0140418100000000 ] - [ -0.0001193000000000, -0.0000102400000000, 0.0008839300000000 ] - [ 0.0001173800000000, -0.0001095600000000, 0.0014019900000000 ] - [ -0.0000324500000000, -0.0000021500000000, 0.0008357100000000 ] - [ -0.0001732100000000, 0.0000011200000000, 0.0008175800000000 ] - [ -0.0000485500000000, 0.0000686400000000, 0.0005490900000000 ] - [ 0.0000347400000000, 0.0000082900000000, 0.0009623600000000 ] - [ 0.0011808500000000, -0.0000090700000000, -0.0017569500000000 ] - [ 0.0022979800000000, 0.0003034900000000, 0.0010527700000000 ] - [ -0.0014642200000000, -0.0011334000000000, 0.0005896600000000 ] - [ 0.0009247600000000, -0.0000143400000000, -0.0020329900000000 ] - [ 0.0001349000000000, -0.0000083900000000, 0.0007513000000000 ] - [ 0.0000675500000000, -0.0000820000000000, 0.0006517400000000 ] - [ 0.0000190700000000, -0.0000001000000000, 0.0012928000000000 ] - [ 0.0001621500000000, -0.0000027100000000, 0.0015263700000000 ] - [ 0.0001054200000000, -0.0001007600000000, 0.0013393400000000 ] - [ -0.0002143600000000, -0.0000213400000000, 0.0016515000000000 ] - [ 0.0001069200000000, 0.0001006400000000, 0.0013430100000000 ] - [ 0.0007093400000000, 0.0000595900000000, 0.0011821900000000 ] - [ -0.0127900500000000, -0.0237758000000000, -0.0197630400000000 ] - [ -0.0039823100000000, -0.0026382600000000, 0.0028197300000000 ] - [ -0.0004901900000000, -0.0001227100000000, 0.0014546800000000 ] - [ -0.0040885800000000, 0.0029666800000000, -0.0050579100000000 ] - [ -0.0002500600000000, -0.0000031200000000, 0.0013624100000000 ] - [ -0.0013320800000000, -0.0003726500000000, -0.0052011300000000 ] - [ -0.0268422700000000, 0.0032776700000000, -0.0301355900000000 ] - [ -0.0002477700000000, -0.0007988100000000, 0.0048158100000000 ] - [ -0.0003690200000000, -0.0004413900000000, 0.0057038500000000 ] - [ -0.0003556000000000, 0.0000313200000000, 0.0017929900000000 ] - [ -0.0026439100000000, 0.0005217800000000, 0.0024947600000000 ] - [ -0.0000217000000000, -0.0000362600000000, 0.0012094500000000 ] - [ 0.0001047200000000, 0.0000921600000000, 0.0014033700000000 ] - [ -0.0009963200000000, 0.0002606500000000, 0.0013267700000000 ] - [ 0.0000149800000000, 0.0000004800000000, 0.0013713700000000 ] - [ 0.0001150400000000, -0.0000014600000000, 0.0014616300000000 ] - [ 0.0001424800000000, -0.0000927900000000, 0.0012926700000000 ] - [ -0.0002209400000000, -0.0000184300000000, 0.0013316000000000 ] - [ 0.0001450200000000, 0.0000925800000000, 0.0012967700000000 ] - [ -0.0006268400000000, 0.0001176400000000, 0.0012780600000000 ] - [ 0.0019106300000000, -0.0003247500000000, -0.0035327200000000 ] - [ 0.0015396800000000, -0.0000949900000000, -0.0001935600000000 ] - [ 0.0009236400000000, -0.0000740400000000, 0.0013055300000000 ] - [ 0.0052703000000000, -0.0009975300000000, -0.0024657600000000 ] - [ -0.0001737300000000, -0.0000077900000000, 0.0015017900000000 ] - [ 0.0015192300000000, 0.0005885000000000, -0.0069721200000000 ] - [ 0.0001469500000000, 0.0004158900000000, -0.0043450100000000 ] - [ -0.0002559000000000, -0.0002075500000000, -0.0003284400000000 ] - [ 0.0005738300000000, 0.0001114800000000, -0.0004773800000000 ] - [ 0.0002015500000000, 0.0000036100000000, 0.0009409700000000 ] - [ 0.0003481000000000, -0.0001140300000000, -0.0005155400000000 ] - [ 0.0001256700000000, -0.0000913200000000, 0.0014332800000000 ] - [ -0.0000346800000000, 0.0000364600000000, 0.0011925200000000 ] - [ 0.0013086000000000, 0.0002542900000000, 0.0015077000000000 ] - [ -0.0001226200000000, 0.0001623400000000, -0.0009069900000000 ] - [ -0.0000539800000000, 0.0000010400000000, -0.0010809600000000 ] - [ -0.0001026200000000, -0.0001557100000000, -0.0008584300000000 ] - [ 0.0000572900000000, 0.0000007200000000, -0.0009401700000000 ] - [ 0.0000515500000000, -0.0000015300000000, -0.0008348200000000 ] - [ -0.0000891900000000, 0.0000742500000000, -0.0009048900000000 ] - [ 0.0000975300000000, -0.0000007400000000, -0.0010600900000000 ] - [ -0.0001135600000000, -0.0000624200000000, -0.0008118500000000 ] - [ 0.0003866300000000, 0.0000801400000000, -0.0013184200000000 ] - [ -0.0001083600000000, -0.0000714000000000, -0.0008687100000000 ] - [ -0.0000843100000000, 0.0000428100000000, -0.0009242400000000 ] - [ -0.0001142500000000, 0.0000617000000000, -0.0008076500000000 ] - [ 0.0009962000000000, -0.0000674600000000, -0.0013232100000000 ] - [ 0.0068423600000000, -0.0002020700000000, -0.0033790100000000 ] - [ 0.0001824200000000, -0.0000207700000000, -0.0011026100000000 ] - [ 0.0005327000000000, 0.0001640000000000, -0.0004771300000000 ] - [ -0.0018145000000000, 0.0022132500000000, 0.0063168400000000 ] - [ -0.0015947300000000, 0.0001666800000000, 0.0004007800000000 ] - [ -0.0019106300000000, 0.0063195200000000, -0.0050355700000000 ] - [ -0.0007015000000000, 0.0001802400000000, -0.0013750200000000 ] - [ -0.0034333400000000, -0.0011818700000000, 0.0042661600000000 ] - [ 0.0064991400000000, -0.0003027700000000, -0.0054433600000000 ] - [ -0.0037985400000000, -0.0091277600000000, -0.0103031300000000 ] - [ 0.0457309000000000, 0.0283540000000000, 0.0930217200000000 ] - [ 0.0007583700000000, 0.0002282800000000, -0.0016731600000000 ] - [ -0.0013648000000000, 0.0000030100000000, 0.0006885400000000 ] - [ -0.0027839400000000, 0.0049904500000000, -0.0064827800000000 ] - [ 0.0022395800000000, -0.0023609200000000, 0.0072805900000000 ] - [ 0.0009837000000000, -0.0002020600000000, -0.0014768100000000 ] - [ -0.0000485500000000, 0.0001209100000000, -0.0010237900000000 ] - [ -0.0017579500000000, -0.0039517300000000, -0.0064771600000000 ] - [ 0.0009489400000000, 0.0001232100000000, -0.0005618100000000 ] - [ 0.0000182400000000, 0.0000021800000000, -0.0010437600000000 ] - [ -0.0000575000000000, -0.0001101400000000, -0.0009694200000000 ] - [ 0.0000691900000000, 0.0000340000000000, -0.0009486200000000 ] - [ -0.0007336500000000, 0.0002048700000000, -0.0013978600000000 ] - [ 0.0000394000000000, -0.0000012100000000, -0.0007226000000000 ] - [ 0.0002277400000000, -0.0000105700000000, -0.0010790300000000 ] - [ 0.0000225900000000, 0.0000276100000000, -0.0008210400000000 ] - [ 0.0000202300000000, -0.0000266700000000, -0.0008170400000000 ] - [ -0.0001020900000000, 0.0001554500000000, -0.0008591100000000 ] - [ -0.0000570300000000, 0.0000013100000000, -0.0009709300000000 ] - [ -0.0001233800000000, -0.0001626300000000, -0.0009053400000000 ] - [ 0.0000686500000000, 0.0000007000000000, -0.0009383300000000 ] - [ 0.0000710900000000, -0.0000007400000000, -0.0009151600000000 ] - [ -0.0001922600000000, 0.0000568200000000, -0.0006369200000000 ] - [ 0.0000977200000000, -0.0000009900000000, -0.0010625900000000 ] - [ -0.0001892700000000, -0.0000814100000000, -0.0008436700000000 ] - [ -0.0005358200000000, 0.0000217300000000, -0.0003141000000000 ] - [ -0.0002110200000000, -0.0000561900000000, -0.0006103300000000 ] - [ 0.0002558200000000, 0.0000165400000000, -0.0007809900000000 ] - [ -0.0001870700000000, 0.0000792300000000, -0.0008357300000000 ] - [ -0.0005805700000000, -0.0000335700000000, -0.0002564300000000 ] - [ -0.0018923400000000, -0.0001073400000000, 0.0006456500000000 ] - [ -0.0001614900000000, -0.0000607500000000, -0.0014024200000000 ] - [ -0.0010841400000000, -0.0003389800000000, -0.0020384100000000 ] - [ -0.0016374800000000, 0.0007961400000000, 0.0050359600000000 ] - [ 0.0020575700000000, 0.0000723300000000, 0.0015719700000000 ] - [ -0.0000737500000000, -0.0003533200000000, 0.0014103100000000 ] - [ 0.0003042200000000, -0.0001684800000000, -0.0000894200000000 ] - [ -0.0034487900000000, -0.0025205600000000, 0.0061946800000000 ] - [ -0.0013449700000000, 0.0000639200000000, 0.0008120100000000 ] - [ -0.0001079400000000, 0.0002731600000000, 0.0016532400000000 ] - [ -0.0013146800000000, -0.0001693700000000, 0.0016281800000000 ] - [ -0.0002219900000000, -0.0000143800000000, -0.0003130500000000 ] - [ 0.0020524500000000, 0.0004782700000000, 0.0014643900000000 ] - [ 0.0002711100000000, -0.0002086100000000, 0.0012586500000000 ] - [ -0.0007842100000000, 0.0000592900000000, 0.0017579000000000 ] - [ -0.0004760600000000, 0.0000080000000000, -0.0000246200000000 ] - [ -0.0000558900000000, 0.0000706600000000, -0.0006387900000000 ] - [ 0.0001737400000000, 0.0002350000000000, 0.0019917900000000 ] - [ -0.0011179000000000, -0.0003507800000000, -0.0020677200000000 ] - [ 0.0000267600000000, 0.0000014500000000, -0.0009174000000000 ] - [ -0.0000783300000000, -0.0000687800000000, -0.0006045500000000 ] - [ 0.0005064200000000, 0.0000115300000000, -0.0008508000000000 ] - [ 0.0005675700000000, -0.0001130900000000, -0.0001499700000000 ] - [ 0.0000211900000000, -0.0000020100000000, -0.0008301700000000 ] - [ -0.0001059900000000, -0.0000348300000000, -0.0013449700000000 ] - [ -0.0000775700000000, 0.0000080400000000, -0.0008513100000000 ] - [ -0.0000767300000000, -0.0000069500000000, -0.0008432400000000 ]- atom: 85 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0004619600000000, 0.0000000000000000, -0.0000323600000000 ] - [ 0.0000103900000000, 0.0000000000000000, -0.0000433200000000 ] - [ -0.0000357600000000, 0.0000000000000000, 0.0000356500000000 ] - [ -0.0001176900000000, 0.0000000000000000, 0.0000976000000000 ] - [ 0.0001508400000000, 0.0000000000000000, 0.0003884300000000 ] - [ -0.0000110800000000, 0.0000000000000000, 0.0001217700000000 ] - [ -0.0025431900000000, 0.0000000000000000, 0.0026630500000000 ] - [ 0.0029189600000000, 0.0000000000000000, -0.0000505400000000 ] - [ 0.0017465000000000, 0.0000000000000000, -0.0006569300000000 ] - [ 0.0021511000000000, 0.0000000000000000, -0.0023026100000000 ] - [ 0.0006304300000000, 0.0000000000000000, -0.0000488200000000 ] - [ -0.0001767200000000, 0.0000000000000000, 0.0000983900000000 ] - [ -0.0000820400000000, 0.0000000000000000, 0.0000447500000000 ] - [ -0.0000787900000000, 0.0000000000000000, 0.0000992900000000 ] - [ -0.0002033000000000, 0.0000000000000000, -0.0001917900000000 ] - [ 0.0001062900000000, 0.0000000000000000, -0.0000176900000000 ] - [ 0.0150011500000000, 0.0000000000000000, 0.0034208400000000 ] - [ -0.0010387200000000, 0.0000000000000000, 0.0000407900000000 ] - [ -0.0013651400000000, 0.0000000000000000, -0.0000076200000000 ] - [ -0.0035769400000000, 0.0000000000000000, 0.0014745700000000 ] - [ -0.0001035700000000, 0.0000000000000000, 0.0005694700000000 ] - [ -0.0001418200000000, 0.0000000000000000, -0.0003782000000000 ] - [ -0.0000879600000000, -0.0001270300000000, -0.0000070700000000 ] - [ -0.0001436700000000, 0.0000000000000000, 0.0001169100000000 ] - [ -0.0000879600000000, 0.0001270300000000, -0.0000070700000000 ] - [ -0.0000117500000000, 0.0000900100000000, 0.0000395800000000 ] - [ 0.0004442600000000, 0.0000000000000000, 0.0011689300000000 ] - [ 0.0000527700000000, 0.0000000000000000, 0.0002118800000000 ] - [ -0.0000526900000000, -0.0000824000000000, 0.0000909600000000 ] - [ -0.0002343400000000, 0.0000000000000000, -0.0013834100000000 ] - [ -0.0002126100000000, 0.0000000000000000, 0.0001179800000000 ] - [ -0.0004877300000000, -0.0002338000000000, 0.0002909300000000 ] - [ 0.0006442200000000, -0.0000565400000000, -0.0002777500000000 ] - [ -0.0000062500000000, 0.0000000000000000, 0.0001170500000000 ] - [ 0.0197256700000000, 0.0152689200000000, -0.0103283700000000 ] - [ 0.0090867200000000, 0.0000000000000000, 0.0072435600000000 ] - [ 0.0197256700000000, -0.0152689200000000, -0.0103283700000000 ] - [ -0.0006381900000000, 0.0011677200000000, 0.0016337600000000 ] - [ -0.0002902200000000, -0.0001742900000000, -0.0013901000000000 ] - [ 0.0029758800000000, 0.0000000000000000, 0.0020548300000000 ] - [ 0.0002874400000000, 0.0000000000000000, -0.0003968200000000 ] - [ 0.0001730900000000, 0.0000000000000000, 0.0004907900000000 ] - [ 0.0001260500000000, -0.0001438000000000, 0.0001389200000000 ] - [ -0.0001734400000000, 0.0000000000000000, 0.0001724200000000 ] - [ 0.0001260500000000, 0.0001438000000000, 0.0001389200000000 ] - [ -0.0000526900000000, 0.0000824000000000, 0.0000909600000000 ] - [ -0.0004504200000000, 0.0000000000000000, -0.0011242400000000 ] - [ -0.0001995500000000, 0.0000000000000000, -0.0000004200000000 ] - [ -0.0000117500000000, -0.0000900100000000, 0.0000395800000000 ] - [ -0.0039109600000000, 0.0000000000000000, 0.0015386000000000 ] - [ -0.0001263900000000, 0.0000000000000000, 0.0000542200000000 ] - [ 0.0006442200000000, 0.0000565400000000, -0.0002777500000000 ] - [ -0.0004877300000000, 0.0002338000000000, 0.0002909300000000 ] - [ -0.0001251400000000, 0.0000000000000000, 0.0001044000000000 ] - [ -0.0044680700000000, 0.0002501500000000, -0.0017898200000000 ] - [ -0.0029293700000000, 0.0000000000000000, -0.0000195600000000 ] - [ -0.0044680700000000, -0.0002501500000000, -0.0017898200000000 ] - [ -0.0002902200000000, 0.0001742900000000, -0.0013901000000000 ] - [ -0.0006381900000000, -0.0011677200000000, 0.0016337600000000 ] - [ -0.0078917700000000, 0.0000000000000000, -0.0030580600000000 ] - [ 0.0000037700000000, 0.0001182400000000, 0.0001406300000000 ] - [ -0.0000770900000000, 0.0000000000000000, 0.0001248000000000 ] - [ -0.0000591200000000, -0.0001628500000000, -0.0002278800000000 ] - [ 0.0002530600000000, 0.0000000000000000, -0.0000791700000000 ] - [ -0.0000760600000000, 0.0000000000000000, -0.0001211000000000 ] - [ -0.0000702900000000, -0.0000056500000000, -0.0000008100000000 ] - [ 0.0002012700000000, 0.0000000000000000, -0.0001338100000000 ] - [ -0.0000227000000000, -0.0000004000000000, -0.0000637700000000 ] - [ -0.0001619600000000, 0.0000000000000000, -0.0000343400000000 ] - [ -0.0000702900000000, 0.0000056500000000, -0.0000008100000000 ] - [ -0.0000543100000000, 0.0000000000000000, -0.0000258000000000 ] - [ -0.0000227000000000, 0.0000004000000000, -0.0000637700000000 ] - [ -0.0000328800000000, 0.0000000000000000, -0.0001084900000000 ] - [ -0.0000651800000000, -0.0000062300000000, -0.0002624600000000 ] - [ -0.0000081100000000, 0.0000000000000000, -0.0001285200000000 ] - [ 0.0000296500000000, 0.0001119700000000, -0.0000428200000000 ] - [ -0.0000023000000000, 0.0000000000000000, 0.0011065800000000 ] - [ 0.0000427200000000, 0.0001096800000000, 0.0000674600000000 ] - [ -0.0002281100000000, 0.0000000000000000, -0.0000072200000000 ] - [ -0.0000289500000000, -0.0001015900000000, -0.0000188700000000 ] - [ 0.0002671900000000, 0.0000000000000000, -0.0003422200000000 ] - [ -0.0028559400000000, -0.0027942200000000, 0.0040921400000000 ] - [ -0.0002290400000000, 0.0000000000000000, -0.0001945900000000 ] - [ -0.0008207200000000, 0.0001600300000000, -0.0004035600000000 ] - [ -0.0783587300000000, 0.0000000000000000, 0.0086684500000000 ] - [ 0.0018282600000000, 0.0003372000000000, -0.0002840100000000 ] - [ 0.0030911900000000, 0.0000000000000000, -0.0083212500000000 ] - [ -0.0008207200000000, -0.0001600300000000, -0.0004035600000000 ] - [ -0.0058683300000000, 0.0000000000000000, 0.0013837600000000 ] - [ -0.0014183100000000, -0.0010105900000000, 0.0020263000000000 ] - [ -0.0006263500000000, 0.0000000000000000, -0.0015338900000000 ] - [ 0.0087603300000000, -0.0048995600000000, 0.0005099700000000 ] - [ -0.0001162400000000, 0.0000000000000000, 0.0009069700000000 ] - [ -0.0014183100000000, 0.0010105900000000, 0.0020263000000000 ] - [ 0.0012358600000000, 0.0000000000000000, 0.0011402800000000 ] - [ 0.0070939200000000, 0.0043009300000000, 0.0007816000000000 ] - [ 0.0002152900000000, 0.0000000000000000, -0.0002829600000000 ] - [ -0.0007881700000000, 0.0000000000000000, -0.0011213700000000 ] - [ -0.0006662000000000, 0.0001555300000000, -0.0004364600000000 ] - [ -0.0006662000000000, -0.0001555300000000, -0.0004364600000000 ] - [ -0.0000591200000000, 0.0001628500000000, -0.0002278800000000 ] - [ -0.0001121100000000, 0.0000000000000000, 0.0000237800000000 ] - [ 0.0000037700000000, -0.0001182400000000, 0.0001406300000000 ] - [ -0.0002727600000000, 0.0000000000000000, -0.0001017900000000 ] - [ -0.0000613400000000, 0.0000000000000000, -0.0000474200000000 ] - [ -0.0000672200000000, -0.0000052500000000, -0.0000032100000000 ] - [ -0.0000565000000000, 0.0000000000000000, -0.0002003900000000 ] - [ -0.0001039800000000, -0.0000046200000000, -0.0000549100000000 ] - [ -0.0001303300000000, 0.0000000000000000, 0.0000596000000000 ] - [ -0.0000672200000000, 0.0000052500000000, -0.0000032100000000 ] - [ -0.0000181100000000, 0.0000000000000000, -0.0000516600000000 ] - [ -0.0001039800000000, 0.0000046200000000, -0.0000549100000000 ] - [ -0.0000101400000000, 0.0000000000000000, -0.0000454500000000 ] - [ 0.0000427200000000, -0.0001096800000000, 0.0000674600000000 ] - [ -0.0000326300000000, 0.0000000000000000, -0.0001041700000000 ] - [ -0.0000289500000000, 0.0001015900000000, -0.0000188700000000 ] - [ 0.0006429400000000, 0.0000000000000000, -0.0011143300000000 ] - [ -0.0000651800000000, 0.0000062300000000, -0.0002624600000000 ] - [ 0.0002222600000000, 0.0000000000000000, -0.0001056200000000 ] - [ 0.0000296500000000, -0.0001119700000000, -0.0000428200000000 ] - [ -0.0003707800000000, 0.0000000000000000, 0.0005332900000000 ] - [ 0.0018282600000000, -0.0003372000000000, -0.0002840100000000 ] - [ 0.0000638400000000, 0.0000000000000000, -0.0001016100000000 ] - [ 0.0005542000000000, 0.0000776000000000, 0.0003849000000000 ] - [ 0.0039679700000000, 0.0000000000000000, -0.0000560300000000 ] - [ -0.0028559400000000, 0.0027942200000000, 0.0040921400000000 ] - [ 0.0011037300000000, 0.0000000000000000, 0.0012624300000000 ] - [ 0.0005542000000000, -0.0000776000000000, 0.0003849000000000 ] - [ 0.0040950000000000, 0.0000000000000000, -0.0004625500000000 ] - [ 0.0014945500000000, -0.0002945000000000, -0.0003505900000000 ] - [ 0.0015749900000000, 0.0000000000000000, 0.0018075700000000 ] - [ 0.0070939200000000, -0.0043009300000000, 0.0007816000000000 ] - [ 0.0005629000000000, 0.0000000000000000, -0.0009172800000000 ] - [ 0.0014945500000000, 0.0002945000000000, -0.0003505900000000 ] - [ 0.0027415800000000, 0.0000000000000000, -0.0055569800000000 ] - [ 0.0087603300000000, 0.0048995600000000, 0.0005099700000000 ] - [ -0.0001749800000000, 0.0000000000000000, 0.0006466600000000 ] - [ 0.0008936300000000, 0.0000000000000000, 0.0016837900000000 ] - [ 0.0005816400000000, 0.0000884400000000, 0.0003544300000000 ] - [ 0.0005816400000000, -0.0000884400000000, 0.0003544300000000 ]- atom: 85 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0005266900000000, 0.0000000000000000, -0.0001219000000000 ] - [ -0.0001665600000000, 0.0000000000000000, 0.0000099800000000 ] - [ -0.0000825300000000, 0.0000000000000000, -0.0000542100000000 ] - [ -0.0000810800000000, 0.0000000000000000, -0.0000109800000000 ] - [ -0.0001674000000000, 0.0000000000000000, -0.0004195000000000 ] - [ 0.0000811700000000, 0.0000000000000000, -0.0001292300000000 ] - [ 0.0025867100000000, 0.0000000000000000, -0.0026416600000000 ] - [ -0.0029251000000000, 0.0000000000000000, -0.0000033400000000 ] - [ -0.0017825200000000, 0.0000000000000000, 0.0005725100000000 ] - [ -0.0019393100000000, 0.0000000000000000, 0.0022788600000000 ] - [ -0.0005622900000000, 0.0000000000000000, -0.0001111900000000 ] - [ 0.0000202800000000, 0.0000000000000000, -0.0001315600000000 ] - [ -0.0000349800000000, 0.0000000000000000, -0.0000632500000000 ] - [ -0.0001196300000000, 0.0000000000000000, -0.0000130500000000 ] - [ 0.0001913000000000, 0.0000000000000000, 0.0001608900000000 ] - [ -0.0000364300000000, 0.0000000000000000, 0.0000096600000000 ] - [ -0.0137865900000000, 0.0000000000000000, -0.0025071200000000 ] - [ 0.0010413800000000, 0.0000000000000000, -0.0001052700000000 ] - [ 0.0013139100000000, 0.0000000000000000, -0.0000638200000000 ] - [ 0.0038087700000000, 0.0000000000000000, -0.0014979700000000 ] - [ 0.0002222000000000, 0.0000000000000000, -0.0006030600000000 ] - [ 0.0003012000000000, 0.0000000000000000, 0.0003661400000000 ] - [ 0.0001240000000000, -0.0001711600000000, -0.0000184400000000 ] - [ -0.0001693100000000, 0.0000000000000000, 0.0000063400000000 ] - [ 0.0001240000000000, 0.0001711600000000, -0.0000184400000000 ] - [ -0.0000585600000000, 0.0000898200000000, -0.0000605300000000 ] - [ -0.0004478300000000, 0.0000000000000000, -0.0011254200000000 ] - [ -0.0001446400000000, 0.0000000000000000, -0.0001604900000000 ] - [ -0.0000179500000000, -0.0000974600000000, -0.0001119900000000 ] - [ 0.0003598400000000, 0.0000000000000000, 0.0012597700000000 ] - [ -0.0001267700000000, 0.0000000000000000, -0.0001090800000000 ] - [ 0.0005318500000000, 0.0001516100000000, -0.0003161700000000 ] - [ -0.0006000100000000, 0.0001401900000000, 0.0002565700000000 ] - [ -0.0001188700000000, 0.0000000000000000, -0.0000557500000000 ] - [ -0.0194776700000000, -0.0156920100000000, 0.0106113400000000 ] - [ -0.0090563300000000, 0.0000000000000000, -0.0068420600000000 ] - [ -0.0194776700000000, 0.0156920100000000, 0.0106113400000000 ] - [ 0.0006943700000000, -0.0011434500000000, -0.0017149100000000 ] - [ 0.0003198600000000, 0.0001512300000000, 0.0013047700000000 ] - [ -0.0028406100000000, 0.0000000000000000, -0.0020682200000000 ] - [ -0.0001693700000000, 0.0000000000000000, 0.0003572100000000 ] - [ -0.0000072800000000, 0.0000000000000000, -0.0005030300000000 ] - [ -0.0000882000000000, -0.0001544700000000, -0.0001646900000000 ] - [ -0.0001391300000000, 0.0000000000000000, -0.0000491400000000 ] - [ -0.0000882000000000, 0.0001544700000000, -0.0001646900000000 ] - [ -0.0000179500000000, 0.0000974600000000, -0.0001119900000000 ] - [ 0.0004575700000000, 0.0000000000000000, 0.0011606600000000 ] - [ 0.0001101600000000, 0.0000000000000000, 0.0000516400000000 ] - [ -0.0000585600000000, -0.0000898200000000, -0.0000605300000000 ] - [ 0.0040085900000000, 0.0000000000000000, -0.0016711400000000 ] - [ -0.0002129500000000, 0.0000000000000000, -0.0000458100000000 ] - [ -0.0006000100000000, -0.0001401900000000, 0.0002565700000000 ] - [ 0.0005318500000000, -0.0001516100000000, -0.0003161700000000 ] - [ 0.0000008900000000, 0.0000000000000000, -0.0000438600000000 ] - [ 0.0047350400000000, -0.0002774200000000, 0.0017385600000000 ] - [ 0.0028414000000000, 0.0000000000000000, 0.0000236600000000 ] - [ 0.0047350400000000, 0.0002774200000000, 0.0017385600000000 ] - [ 0.0003198600000000, -0.0001512300000000, 0.0013047700000000 ] - [ 0.0006943700000000, 0.0011434500000000, -0.0017149100000000 ] - [ 0.0080346700000000, 0.0000000000000000, 0.0030643600000000 ] - [ -0.0000533600000000, 0.0001537900000000, -0.0001505100000000 ] - [ -0.0001213600000000, 0.0000000000000000, 0.0001653200000000 ] - [ 0.0000078200000000, -0.0001100000000000, 0.0002162800000000 ] - [ -0.0003091500000000, 0.0000000000000000, 0.0000576400000000 ] - [ -0.0000772000000000, 0.0000000000000000, 0.0000441600000000 ] - [ -0.0000548700000000, -0.0000140600000000, 0.0000901600000000 ] - [ -0.0000547800000000, 0.0000000000000000, -0.0001059500000000 ] - [ -0.0000910600000000, 0.0000014400000000, 0.0000396100000000 ] - [ -0.0001403200000000, 0.0000000000000000, 0.0001945100000000 ] - [ -0.0000548700000000, 0.0000140600000000, 0.0000901600000000 ] - [ -0.0000361500000000, 0.0000000000000000, 0.0000476800000000 ] - [ -0.0000910600000000, -0.0000014400000000, 0.0000396100000000 ] - [ -0.0000287300000000, 0.0000000000000000, 0.0000468700000000 ] - [ 0.0000470200000000, -0.0001169100000000, 0.0001281800000000 ] - [ -0.0000370200000000, 0.0000000000000000, 0.0000285900000000 ] - [ -0.0000128600000000, 0.0001107600000000, 0.0000772000000000 ] - [ 0.0001279600000000, 0.0000000000000000, -0.0010826700000000 ] - [ -0.0000625500000000, 0.0000130500000000, -0.0002030500000000 ] - [ 0.0001938500000000, 0.0000000000000000, 0.0000604400000000 ] - [ 0.0000457300000000, -0.0001209600000000, 0.0000530600000000 ] - [ -0.0004340900000000, 0.0000000000000000, 0.0003804700000000 ] - [ 0.0027756200000000, 0.0028294600000000, -0.0041722200000000 ] - [ 0.0000704900000000, 0.0000000000000000, 0.0000356900000000 ] - [ 0.0008956200000000, -0.0001592100000000, 0.0006079400000000 ] - [ 0.0773601200000000, 0.0000000000000000, -0.0107260000000000 ] - [ -0.0018814600000000, -0.0003638600000000, 0.0002211500000000 ] - [ -0.0030731800000000, 0.0000000000000000, 0.0084839600000000 ] - [ 0.0008956200000000, 0.0001592100000000, 0.0006079400000000 ] - [ 0.0059462400000000, 0.0000000000000000, -0.0013643000000000 ] - [ 0.0014782800000000, 0.0010303200000000, -0.0020045300000000 ] - [ 0.0006959600000000, 0.0000000000000000, 0.0015619200000000 ] - [ -0.0084535500000000, 0.0049521500000000, -0.0005520800000000 ] - [ 0.0000856100000000, 0.0000000000000000, -0.0006474200000000 ] - [ 0.0014782800000000, -0.0010303200000000, -0.0020045300000000 ] - [ -0.0008995200000000, 0.0000000000000000, -0.0012319200000000 ] - [ -0.0069384400000000, -0.0044861700000000, -0.0008297800000000 ] - [ -0.0002390300000000, 0.0000000000000000, 0.0005043600000000 ] - [ 0.0008177900000000, 0.0000000000000000, 0.0010955000000000 ] - [ 0.0007595600000000, -0.0001049900000000, 0.0004941000000000 ] - [ 0.0007595600000000, 0.0001049900000000, 0.0004941000000000 ] - [ 0.0000078200000000, 0.0001100000000000, 0.0002162800000000 ] - [ -0.0000866900000000, 0.0000000000000000, 0.0002660900000000 ] - [ -0.0000533600000000, -0.0001537900000000, -0.0001505100000000 ] - [ 0.0002146900000000, 0.0000000000000000, 0.0000819400000000 ] - [ -0.0000916000000000, 0.0000000000000000, -0.0000293700000000 ] - [ -0.0000579100000000, -0.0000141300000000, 0.0000925000000000 ] - [ 0.0002020600000000, 0.0000000000000000, -0.0000383600000000 ] - [ -0.0000099500000000, 0.0000058800000000, 0.0000311000000000 ] - [ -0.0001719500000000, 0.0000000000000000, 0.0001003700000000 ] - [ -0.0000579100000000, 0.0000141300000000, 0.0000925000000000 ] - [ -0.0000717300000000, 0.0000000000000000, 0.0000738700000000 ] - [ -0.0000099500000000, -0.0000058800000000, 0.0000311000000000 ] - [ -0.0000511500000000, 0.0000000000000000, -0.0000159800000000 ] - [ -0.0000625500000000, -0.0000130500000000, -0.0002030500000000 ] - [ -0.0000127300000000, 0.0000000000000000, 0.0000042100000000 ] - [ 0.0000457300000000, 0.0001209600000000, 0.0000530600000000 ] - [ -0.0005147700000000, 0.0000000000000000, 0.0011463100000000 ] - [ 0.0000470200000000, 0.0001169100000000, 0.0001281800000000 ] - [ -0.0002575300000000, 0.0000000000000000, 0.0001604600000000 ] - [ -0.0000128600000000, -0.0001107600000000, 0.0000772000000000 ] - [ 0.0001986600000000, 0.0000000000000000, -0.0004987200000000 ] - [ -0.0018814600000000, 0.0003638600000000, 0.0002211500000000 ] - [ -0.0002226500000000, 0.0000000000000000, -0.0000556200000000 ] - [ -0.0004820300000000, -0.0000755500000000, -0.0001768200000000 ] - [ -0.0037015200000000, 0.0000000000000000, -0.0000092800000000 ] - [ 0.0027756200000000, -0.0028294600000000, -0.0041722200000000 ] - [ -0.0010905300000000, 0.0000000000000000, -0.0011682300000000 ] - [ -0.0004820300000000, 0.0000755500000000, -0.0001768200000000 ] - [ -0.0040106700000000, 0.0000000000000000, 0.0004810400000000 ] - [ -0.0014568700000000, 0.0003309800000000, 0.0003446600000000 ] - [ -0.0015255700000000, 0.0000000000000000, -0.0017579400000000 ] - [ -0.0069384400000000, 0.0044861700000000, -0.0008297800000000 ] - [ -0.0005977400000000, 0.0000000000000000, 0.0011637000000000 ] - [ -0.0014568700000000, -0.0003309800000000, 0.0003446600000000 ] - [ -0.0024255500000000, 0.0000000000000000, 0.0054486400000000 ] - [ -0.0084535500000000, -0.0049521500000000, -0.0005520800000000 ] - [ 0.0001576800000000, 0.0000000000000000, -0.0004191800000000 ] - [ -0.0008498700000000, 0.0000000000000000, -0.0017165000000000 ] - [ -0.0004812500000000, -0.0000372700000000, -0.0002998800000000 ] - [ -0.0004812500000000, 0.0000372700000000, -0.0002998800000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000330700000000, 0.0000018100000000, -0.0000778400000000 ] - [ -0.0000782200000000, -0.0000103700000000, -0.0000161400000000 ] - [ -0.0000586500000000, 0.0000011500000000, -0.0000092900000000 ] - [ -0.0000992600000000, -0.0000004400000000, 0.0000440800000000 ] - [ -0.0000069500000000, 0.0001061200000000, -0.0000148000000000 ] - [ 0.0000353100000000, 0.0000096300000000, -0.0000035600000000 ] - [ 0.0000234500000000, -0.0022951200000000, 0.0000178900000000 ] - [ 0.0000064500000000, 0.0023653300000000, -0.0000281800000000 ] - [ -0.0000212100000000, -0.0012956700000000, -0.0000374400000000 ] - [ 0.0001348500000000, -0.0038601700000000, -0.0000084000000000 ] - [ 0.0000324300000000, 0.0000694800000000, -0.0000799900000000 ] - [ -0.0000780400000000, -0.0000054200000000, -0.0000165100000000 ] - [ -0.0000582500000000, 0.0000010000000000, -0.0000091600000000 ] - [ -0.0000992600000000, -0.0000000200000000, 0.0000439000000000 ] - [ -0.0000071000000000, 0.0000229600000000, -0.0000153100000000 ] - [ 0.0000351600000000, 0.0000166900000000, -0.0000041000000000 ] - [ -0.0000163500000000, 0.0079925500000000, 0.0000033400000000 ] - [ 0.0000011000000000, -0.0000705900000000, -0.0000305300000000 ] - [ -0.0000230400000000, 0.0000205500000000, -0.0000372700000000 ] - [ 0.0001286200000000, 0.0012084900000000, -0.0000172500000000 ] - [ 0.0000586500000000, 0.0000185100000000, -0.0000187600000000 ] - [ 0.0000820900000000, -0.0000341800000000, -0.0000059800000000 ] - [ 0.0000303000000000, -0.0001477300000000, -0.0000062500000000 ] - [ -0.0001562900000000, 0.0000004700000000, 0.0000624000000000 ] - [ 0.0000085000000000, 0.0001492200000000, -0.0000183700000000 ] - [ -0.0000363000000000, 0.0000898200000000, -0.0000124000000000 ] - [ 0.0000013300000000, -0.0003427200000000, 0.0000206500000000 ] - [ -0.0000457100000000, -0.0000310200000000, 0.0000253700000000 ] - [ -0.0000347700000000, -0.0000897800000000, -0.0000098000000000 ] - [ 0.0000520500000000, -0.0058419200000000, -0.0000666600000000 ] - [ -0.0001688300000000, 0.0000022500000000, 0.0000050100000000 ] - [ 0.0000139000000000, -0.0000434000000000, -0.0000004300000000 ] - [ 0.0001397100000000, 0.0000348600000000, 0.0002434000000000 ] - [ -0.0000618400000000, -0.0000011500000000, 0.0000307500000000 ] - [ 0.0140632400000000, 0.0257656200000000, -0.0153936900000000 ] - [ -0.0000482500000000, 0.0068438000000000, 0.0002084700000000 ] - [ -0.0147144500000000, 0.0270262900000000, 0.0164794000000000 ] - [ 0.0000562100000000, 0.0000655100000000, -0.0000920100000000 ] - [ -0.0012675800000000, 0.0001514600000000, -0.0009639300000000 ] - [ 0.0000077200000000, -0.0064029200000000, 0.0000022800000000 ] - [ 0.0000582200000000, 0.0000829400000000, -0.0000180600000000 ] - [ 0.0000828800000000, -0.0000657200000000, -0.0000066900000000 ] - [ 0.0000253200000000, -0.0001484100000000, -0.0000088600000000 ] - [ -0.0001562800000000, -0.0000005800000000, 0.0000623200000000 ] - [ 0.0000134100000000, 0.0001485200000000, -0.0000160700000000 ] - [ -0.0000356300000000, 0.0000900200000000, -0.0000110500000000 ] - [ 0.0000000200000000, 0.0002883400000000, 0.0000209100000000 ] - [ -0.0000461500000000, -0.0000417200000000, 0.0000250500000000 ] - [ -0.0000340100000000, -0.0000900200000000, -0.0000085500000000 ] - [ 0.0000417600000000, -0.0000209900000000, -0.0000632700000000 ] - [ -0.0001688500000000, 0.0000015700000000, 0.0000049900000000 ] - [ -0.0000934000000000, -0.0000488500000000, -0.0002677500000000 ] - [ 0.0000299900000000, 0.0000404900000000, -0.0000225800000000 ] - [ -0.0000617800000000, 0.0000011900000000, 0.0000307100000000 ] - [ -0.0007883100000000, 0.0000079400000000, -0.0008421600000000 ] - [ -0.0000408700000000, -0.0003621800000000, -0.0000037900000000 ] - [ 0.0010596300000000, 0.0000378600000000, 0.0008006600000000 ] - [ 0.0013121700000000, 0.0001759900000000, 0.0008797300000000 ] - [ -0.0000026100000000, 0.0000560600000000, 0.0000055600000000 ] - [ 0.0000453200000000, 0.0049001700000000, -0.0000086400000000 ] - [ -0.0000471500000000, 0.0001519900000000, -0.0000368900000000 ] - [ -0.0001001800000000, 0.0000063200000000, 0.0001436600000000 ] - [ -0.0000339300000000, -0.0001387400000000, 0.0000107100000000 ] - [ -0.0000289000000000, 0.0000046200000000, -0.0000105500000000 ] - [ -0.0000757500000000, -0.0000018800000000, -0.0000386400000000 ] - [ -0.0000622700000000, -0.0000113900000000, 0.0000446600000000 ] - [ 0.0000734600000000, -0.0000048300000000, -0.0001194300000000 ] - [ -0.0000563600000000, -0.0000003100000000, -0.0000133600000000 ] - [ -0.0001516800000000, 0.0000016600000000, 0.0000783700000000 ] - [ -0.0000622500000000, 0.0000114600000000, 0.0000450400000000 ] - [ -0.0000464300000000, -0.0000001200000000, 0.0000111400000000 ] - [ -0.0000578200000000, 0.0000000400000000, -0.0000110800000000 ] - [ -0.0000298700000000, -0.0000021300000000, -0.0000310600000000 ] - [ 0.0000095100000000, -0.0000626200000000, -0.0000901200000000 ] - [ -0.0000222300000000, -0.0000003100000000, -0.0000501200000000 ] - [ 0.0000100100000000, 0.0001098900000000, 0.0000156500000000 ] - [ 0.0000630200000000, 0.0007050800000000, 0.0000136800000000 ] - [ 0.0000255800000000, 0.0000770400000000, -0.0000121100000000 ] - [ -0.0000192300000000, 0.0000062300000000, 0.0000267800000000 ] - [ 0.0000062700000000, -0.0001106500000000, 0.0000191400000000 ] - [ -0.0000829700000000, 0.0000202300000000, 0.0000191900000000 ] - [ -0.0042093300000000, 0.0035534000000000, -0.0085297900000000 ] - [ -0.0000792100000000, -0.0000010300000000, -0.0000780300000000 ] - [ 0.0003526700000000, -0.0000363800000000, -0.0001737600000000 ] - [ 0.0011230000000000, -0.0948457600000000, -0.0013706100000000 ] - [ 0.0001660700000000, -0.0000355000000000, -0.0003408300000000 ] - [ 0.0000184300000000, -0.0052082900000000, 0.0000339500000000 ] - [ -0.0002822400000000, -0.0000359000000000, 0.0003777300000000 ] - [ 0.0000481700000000, 0.0230708600000000, -0.0000064600000000 ] - [ -0.0019191400000000, 0.0021126400000000, -0.0037323800000000 ] - [ 0.0000348900000000, 0.0018652100000000, 0.0000109400000000 ] - [ -0.0050233300000000, 0.0018177100000000, -0.0001090300000000 ] - [ -0.0000168900000000, 0.0006556600000000, 0.0001240800000000 ] - [ 0.0019550100000000, 0.0020930900000000, 0.0037146500000000 ] - [ 0.0001621900000000, 0.0009870600000000, -0.0000419400000000 ] - [ 0.0068987700000000, 0.0020520800000000, 0.0011850700000000 ] - [ -0.0000106700000000, 0.0000217200000000, 0.0001103900000000 ] - [ 0.0000227800000000, 0.0004150900000000, -0.0000160800000000 ] - [ 0.0002320600000000, 0.0000424600000000, -0.0000688100000000 ] - [ -0.0001328900000000, -0.0000039900000000, 0.0001260600000000 ] - [ -0.0000169400000000, 0.0001313900000000, -0.0000205200000000 ] - [ -0.0001000900000000, 0.0000021000000000, 0.0001437600000000 ] - [ -0.0000036000000000, -0.0001181600000000, 0.0000266700000000 ] - [ -0.0000283200000000, -0.0000047100000000, -0.0000103700000000 ] - [ -0.0000757800000000, -0.0000039700000000, -0.0000386800000000 ] - [ -0.0000623200000000, -0.0000113300000000, 0.0000446300000000 ] - [ 0.0000736600000000, 0.0000012300000000, -0.0001192000000000 ] - [ -0.0000554800000000, -0.0000000300000000, -0.0000130300000000 ] - [ -0.0001514400000000, 0.0000061700000000, 0.0000785500000000 ] - [ -0.0000619300000000, 0.0000112800000000, 0.0000451700000000 ] - [ -0.0000461500000000, 0.0000003500000000, 0.0000112000000000 ] - [ -0.0000585500000000, -0.0000000400000000, -0.0000113200000000 ] - [ -0.0000297400000000, -0.0000058500000000, -0.0000310600000000 ] - [ -0.0000434400000000, -0.0000493000000000, -0.0001221300000000 ] - [ -0.0000224000000000, -0.0000000500000000, -0.0000501700000000 ] - [ 0.0000104000000000, 0.0001098100000000, 0.0000147100000000 ] - [ 0.0000645600000000, 0.0000220500000000, 0.0000112100000000 ] - [ -0.0000274600000000, 0.0000636100000000, -0.0000445200000000 ] - [ -0.0000185200000000, -0.0000054500000000, 0.0000266600000000 ] - [ 0.0000068000000000, -0.0001103000000000, 0.0000180500000000 ] - [ -0.0000832200000000, -0.0006457900000000, 0.0000203300000000 ] - [ -0.0002167100000000, -0.0000131100000000, 0.0002760300000000 ] - [ -0.0000788100000000, 0.0000040200000000, -0.0000777200000000 ] - [ 0.0000256400000000, -0.0000142600000000, 0.0001194700000000 ] - [ 0.0001298400000000, 0.0012094500000000, -0.0000320100000000 ] - [ 0.0041935300000000, 0.0035036200000000, 0.0085257600000000 ] - [ 0.0000107300000000, 0.0009692200000000, 0.0000413100000000 ] - [ 0.0000477800000000, -0.0000126600000000, 0.0000864300000000 ] - [ 0.0000429200000000, -0.0010953600000000, 0.0000100300000000 ] - [ -0.0000136000000000, -0.0000177400000000, 0.0002419800000000 ] - [ 0.0000251000000000, -0.0008462900000000, 0.0000206400000000 ] - [ -0.0067473800000000, 0.0021577700000000, -0.0012480700000000 ] - [ -0.0000196000000000, 0.0000201200000000, 0.0001261600000000 ] - [ 0.0000483100000000, -0.0000539000000000, -0.0002439200000000 ] - [ 0.0001442300000000, -0.0015163400000000, -0.0000226500000000 ] - [ 0.0052733500000000, 0.0016855200000000, 0.0000668200000000 ] - [ -0.0000097000000000, -0.0004390400000000, 0.0001110100000000 ] - [ 0.0000195600000000, -0.0007555100000000, -0.0000110900000000 ] - [ 0.0000234400000000, 0.0000228800000000, 0.0000081500000000 ] - [ 0.0000755000000000, -0.0000266700000000, 0.0000465900000000 ]- atom: 85 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0001156700000000, 0.0000000000000000, -0.0008656600000000 ] - [ 0.0000629500000000, 0.0000000000000000, -0.0012679000000000 ] - [ -0.0000437200000000, 0.0000000000000000, -0.0012093700000000 ] - [ -0.0001586100000000, 0.0000000000000000, -0.0012760500000000 ] - [ 0.0003341200000000, 0.0000000000000000, -0.0014397500000000 ] - [ 0.0000368500000000, 0.0000000000000000, -0.0012996900000000 ] - [ 0.0005622800000000, 0.0000000000000000, 0.0032004000000000 ] - [ 0.0004671300000000, 0.0000000000000000, -0.0039631500000000 ] - [ 0.0032500800000000, 0.0000000000000000, -0.0024365500000000 ] - [ -0.0018771300000000, 0.0000000000000000, 0.0069020400000000 ] - [ 0.0002637200000000, 0.0000000000000000, -0.0021925500000000 ] - [ 0.0000769200000000, 0.0000000000000000, -0.0011381700000000 ] - [ -0.0000960500000000, 0.0000000000000000, -0.0011626000000000 ] - [ -0.0001335600000000, 0.0000000000000000, -0.0013087200000000 ] - [ -0.0008831500000000, 0.0000000000000000, -0.0010423700000000 ] - [ -0.0000597000000000, 0.0000000000000000, -0.0014776600000000 ] - [ 0.0073076100000000, 0.0000000000000000, 0.0166083000000000 ] - [ -0.0002704300000000, 0.0000000000000000, -0.0000271700000000 ] - [ -0.0001382900000000, 0.0000000000000000, 0.0003526000000000 ] - [ 0.0020557400000000, 0.0000000000000000, 0.0046734000000000 ] - [ 0.0002270400000000, 0.0000000000000000, -0.0017418600000000 ] - [ -0.0007974000000000, 0.0000000000000000, -0.0017631200000000 ] - [ -0.0002965800000000, -0.0002402300000000, -0.0018039300000000 ] - [ -0.0000965100000000, 0.0000000000000000, -0.0019237000000000 ] - [ -0.0002965800000000, 0.0002402300000000, -0.0018039300000000 ] - [ -0.0001087500000000, 0.0001874300000000, -0.0018851100000000 ] - [ 0.0017290000000000, 0.0000000000000000, -0.0008718900000000 ] - [ 0.0003369000000000, 0.0000000000000000, -0.0019552100000000 ] - [ -0.0000498600000000, -0.0001705600000000, -0.0018275600000000 ] - [ -0.0052630100000000, 0.0000000000000000, -0.0008916600000000 ] - [ -0.0000895500000000, 0.0000000000000000, -0.0019151100000000 ] - [ 0.0002355100000000, 0.0002755600000000, -0.0013142000000000 ] - [ 0.0001474800000000, -0.0004796300000000, -0.0026401200000000 ] - [ 0.0000566000000000, 0.0000000000000000, -0.0020327400000000 ] - [ -0.0062010700000000, -0.0143939800000000, 0.0241054700000000 ] - [ 0.0065168500000000, 0.0000000000000000, 0.0795041700000000 ] - [ -0.0062010700000000, 0.0143939800000000, 0.0241054700000000 ] - [ 0.0022502900000000, -0.0027708400000000, -0.0011189300000000 ] - [ -0.0048683200000000, 0.0006356500000000, -0.0017516900000000 ] - [ 0.0009297500000000, 0.0000000000000000, 0.0071409500000000 ] - [ -0.0000357000000000, 0.0000000000000000, -0.0026287200000000 ] - [ 0.0007777200000000, 0.0000000000000000, -0.0019973600000000 ] - [ 0.0000028300000000, -0.0002673400000000, -0.0019311600000000 ] - [ -0.0000964300000000, 0.0000000000000000, -0.0018943500000000 ] - [ 0.0000028300000000, 0.0002673400000000, -0.0019311600000000 ] - [ -0.0000498600000000, 0.0001705600000000, -0.0018275600000000 ] - [ -0.0015041800000000, 0.0000000000000000, -0.0002048200000000 ] - [ -0.0003075400000000, 0.0000000000000000, -0.0018515400000000 ] - [ -0.0001087500000000, -0.0001874300000000, -0.0018851100000000 ] - [ 0.0052900400000000, 0.0000000000000000, 0.0001140800000000 ] - [ -0.0001339400000000, 0.0000000000000000, -0.0020021500000000 ] - [ 0.0001474800000000, 0.0004796300000000, -0.0026401200000000 ] - [ 0.0002355100000000, -0.0002755600000000, -0.0013142000000000 ] - [ -0.0000611400000000, 0.0000000000000000, -0.0017260300000000 ] - [ -0.0006894400000000, 0.0000901600000000, 0.0044156900000000 ] - [ -0.0009604900000000, 0.0000000000000000, 0.0043211300000000 ] - [ -0.0006894400000000, -0.0000901600000000, 0.0044156900000000 ] - [ -0.0048683200000000, -0.0006356500000000, -0.0017516900000000 ] - [ 0.0022502900000000, 0.0027708400000000, -0.0011189300000000 ] - [ -0.0026886900000000, 0.0000000000000000, 0.0056119600000000 ] - [ 0.0003394300000000, -0.0000208300000000, 0.0013677300000000 ] - [ -0.0001196000000000, 0.0000000000000000, 0.0018254800000000 ] - [ -0.0000665800000000, -0.0001107900000000, 0.0011325900000000 ] - [ -0.0001488300000000, 0.0000000000000000, 0.0011128700000000 ] - [ -0.0003011000000000, 0.0000000000000000, 0.0011253500000000 ] - [ 0.0000867700000000, -0.0001366100000000, 0.0011793900000000 ] - [ 0.0001194600000000, 0.0000000000000000, 0.0009704400000000 ] - [ 0.0000588800000000, 0.0000889300000000, 0.0010697400000000 ] - [ -0.0002660200000000, 0.0000000000000000, 0.0017091600000000 ] - [ 0.0000867700000000, 0.0001366100000000, 0.0011793900000000 ] - [ -0.0002597800000000, 0.0000000000000000, 0.0012124800000000 ] - [ 0.0000588800000000, -0.0000889300000000, 0.0010697400000000 ] - [ -0.0002980900000000, 0.0000000000000000, 0.0011392100000000 ] - [ -0.0000770500000000, -0.0001854000000000, 0.0009794400000000 ] - [ -0.0000991100000000, 0.0000000000000000, 0.0015104300000000 ] - [ 0.0001322400000000, 0.0002148100000000, 0.0010798900000000 ] - [ 0.0008266600000000, 0.0000000000000000, 0.0036074300000000 ] - [ 0.0004380600000000, 0.0003009300000000, 0.0012551300000000 ] - [ -0.0004057800000000, 0.0000000000000000, 0.0014804200000000 ] - [ 0.0001672200000000, -0.0002376700000000, 0.0012039100000000 ] - [ -0.0006365800000000, 0.0000000000000000, 0.0004221900000000 ] - [ 0.0058912000000000, -0.0092260000000000, 0.0098780400000000 ] - [ -0.0002199500000000, 0.0000000000000000, 0.0016737700000000 ] - [ -0.0004112100000000, -0.0001955500000000, 0.0017129900000000 ] - [ -0.0010779000000000, 0.0000000000000000, -0.1710102300000000 ] - [ -0.0009405000000000, -0.0006486800000000, -0.0016351000000000 ] - [ -0.0113627400000000, 0.0000000000000000, 0.0078807300000000 ] - [ -0.0004112100000000, 0.0001955500000000, 0.0017129900000000 ] - [ 0.0006374400000000, 0.0000000000000000, -0.0082720500000000 ] - [ 0.0047349900000000, -0.0062057000000000, 0.0060103200000000 ] - [ -0.0015876600000000, 0.0000000000000000, -0.0018764000000000 ] - [ 0.0005243100000000, -0.0004749100000000, -0.0048435300000000 ] - [ 0.0009740400000000, 0.0000000000000000, 0.0035430800000000 ] - [ 0.0047349900000000, 0.0062057000000000, 0.0060103200000000 ] - [ 0.0031646800000000, 0.0000000000000000, -0.0022241100000000 ] - [ -0.0003047000000000, 0.0008882600000000, -0.0060082400000000 ] - [ -0.0004657600000000, 0.0000000000000000, 0.0003212100000000 ] - [ -0.0012130300000000, 0.0000000000000000, -0.0027580100000000 ] - [ -0.0006704800000000, -0.0005225900000000, 0.0015075500000000 ] - [ -0.0006704800000000, 0.0005225900000000, 0.0015075500000000 ] - [ -0.0000665800000000, 0.0001107900000000, 0.0011325900000000 ] - [ -0.0002059800000000, 0.0000000000000000, 0.0017890300000000 ] - [ 0.0003394300000000, 0.0000208300000000, 0.0013677300000000 ] - [ -0.0003128900000000, 0.0000000000000000, 0.0015149700000000 ] - [ -0.0002134200000000, 0.0000000000000000, 0.0011253500000000 ] - [ 0.0000959800000000, -0.0001374700000000, 0.0011790900000000 ] - [ -0.0000255500000000, 0.0000000000000000, 0.0012863400000000 ] - [ 0.0000764900000000, 0.0000936100000000, 0.0011521200000000 ] - [ -0.0001742700000000, 0.0000000000000000, 0.0017513500000000 ] - [ 0.0000959800000000, 0.0001374700000000, 0.0011790900000000 ] - [ -0.0002672500000000, 0.0000000000000000, 0.0011677900000000 ] - [ 0.0000764900000000, -0.0000936100000000, 0.0011521200000000 ] - [ -0.0001651600000000, 0.0000000000000000, 0.0011333900000000 ] - [ 0.0004380600000000, -0.0003009300000000, 0.0012551300000000 ] - [ -0.0000827800000000, 0.0000000000000000, 0.0015708300000000 ] - [ 0.0001672200000000, 0.0002376700000000, 0.0012039100000000 ] - [ -0.0009029700000000, 0.0000000000000000, 0.0015837900000000 ] - [ -0.0000770500000000, 0.0001854000000000, 0.0009794400000000 ] - [ -0.0001988900000000, 0.0000000000000000, 0.0010221500000000 ] - [ 0.0001322400000000, -0.0002148100000000, 0.0010798900000000 ] - [ 0.0005947600000000, 0.0000000000000000, 0.0016451300000000 ] - [ -0.0009405000000000, 0.0006486800000000, -0.0016351000000000 ] - [ -0.0000848300000000, 0.0000000000000000, 0.0011560600000000 ] - [ 0.0003898100000000, 0.0000529900000000, 0.0003830800000000 ] - [ 0.0006668200000000, 0.0000000000000000, -0.0039562200000000 ] - [ 0.0058912000000000, 0.0092260000000000, 0.0098780400000000 ] - [ 0.0029434300000000, 0.0000000000000000, -0.0021232700000000 ] - [ 0.0003898100000000, -0.0000529900000000, 0.0003830800000000 ] - [ 0.0008239100000000, 0.0000000000000000, -0.0027219400000000 ] - [ -0.0009900100000000, 0.0007157200000000, -0.0018628400000000 ] - [ 0.0020204600000000, 0.0000000000000000, -0.0017387300000000 ] - [ -0.0003047000000000, -0.0008882600000000, -0.0060082400000000 ] - [ -0.0009491800000000, 0.0000000000000000, 0.0016149300000000 ] - [ -0.0009900100000000, -0.0007157200000000, -0.0018628400000000 ] - [ -0.0089968300000000, 0.0000000000000000, 0.0057420900000000 ] - [ 0.0005243100000000, 0.0004749100000000, -0.0048435300000000 ] - [ 0.0010929900000000, 0.0000000000000000, 0.0018721800000000 ] - [ 0.0018152400000000, 0.0000000000000000, -0.0024684600000000 ] - [ 0.0005488600000000, 0.0000064700000000, 0.0003694200000000 ] - [ 0.0005488600000000, -0.0000064700000000, 0.0003694200000000 ]- atom: 85 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0001834100000000, 0.0000000000000000, 0.0007107400000000 ] - [ -0.0002201400000000, 0.0000000000000000, 0.0012409700000000 ] - [ -0.0000758800000000, 0.0000000000000000, 0.0011940100000000 ] - [ -0.0000413200000000, 0.0000000000000000, 0.0013661300000000 ] - [ -0.0003490400000000, 0.0000000000000000, 0.0014129000000000 ] - [ 0.0000347600000000, 0.0000000000000000, 0.0012987700000000 ] - [ -0.0005329300000000, 0.0000000000000000, -0.0031376600000000 ] - [ -0.0004547700000000, 0.0000000000000000, 0.0039020300000000 ] - [ -0.0033164600000000, 0.0000000000000000, 0.0023717500000000 ] - [ 0.0021341100000000, 0.0000000000000000, -0.0070213700000000 ] - [ -0.0001972800000000, 0.0000000000000000, 0.0020482200000000 ] - [ -0.0002344000000000, 0.0000000000000000, 0.0011101800000000 ] - [ -0.0000218900000000, 0.0000000000000000, 0.0011472200000000 ] - [ -0.0000665400000000, 0.0000000000000000, 0.0013986800000000 ] - [ 0.0008673000000000, 0.0000000000000000, 0.0010142900000000 ] - [ 0.0001305900000000, 0.0000000000000000, 0.0014752700000000 ] - [ -0.0064680000000000, 0.0000000000000000, -0.0161492200000000 ] - [ 0.0002717800000000, 0.0000000000000000, -0.0000277800000000 ] - [ 0.0000896900000000, 0.0000000000000000, -0.0004340100000000 ] - [ -0.0018173700000000, 0.0000000000000000, -0.0047557000000000 ] - [ -0.0001032200000000, 0.0000000000000000, 0.0017119000000000 ] - [ 0.0009642500000000, 0.0000000000000000, 0.0017526200000000 ] - [ 0.0003337900000000, -0.0000569500000000, 0.0017847000000000 ] - [ -0.0002144800000000, 0.0000000000000000, 0.0020561200000000 ] - [ 0.0003337900000000, 0.0000569500000000, 0.0017847000000000 ] - [ 0.0000394800000000, -0.0000071500000000, 0.0018706200000000 ] - [ -0.0017293200000000, 0.0000000000000000, 0.0009290700000000 ] - [ -0.0004252200000000, 0.0000000000000000, 0.0020167600000000 ] - [ -0.0000194900000000, -0.0000095700000000, 0.0018131400000000 ] - [ 0.0053652400000000, 0.0000000000000000, 0.0007859300000000 ] - [ -0.0002502400000000, 0.0000000000000000, 0.0019323500000000 ] - [ -0.0001912200000000, -0.0003579600000000, 0.0012975800000000 ] - [ -0.0000984900000000, 0.0005609800000000, 0.0026191800000000 ] - [ -0.0001829500000000, 0.0000000000000000, 0.0020999200000000 ] - [ 0.0061218400000000, 0.0138319200000000, -0.0239540500000000 ] - [ -0.0067318100000000, 0.0000000000000000, -0.0848479800000000 ] - [ 0.0061218400000000, -0.0138319200000000, -0.0239540500000000 ] - [ -0.0022141900000000, 0.0028159800000000, 0.0010348800000000 ] - [ 0.0049516800000000, -0.0006688300000000, 0.0016711400000000 ] - [ -0.0008167600000000, 0.0000000000000000, -0.0072291500000000 ] - [ 0.0001621200000000, 0.0000000000000000, 0.0026030500000000 ] - [ -0.0006213200000000, 0.0000000000000000, 0.0019887600000000 ] - [ 0.0000329300000000, -0.0000294300000000, 0.0019131600000000 ] - [ -0.0002149100000000, 0.0000000000000000, 0.0020267300000000 ] - [ 0.0000329300000000, 0.0000294300000000, 0.0019131600000000 ] - [ -0.0000194900000000, 0.0000095700000000, 0.0018131400000000 ] - [ 0.0014984700000000, 0.0000000000000000, 0.0002530500000000 ] - [ 0.0002181200000000, 0.0000000000000000, 0.0019118600000000 ] - [ 0.0000394800000000, 0.0000071500000000, 0.0018706200000000 ] - [ -0.0051869300000000, 0.0000000000000000, -0.0002223200000000 ] - [ -0.0002052800000000, 0.0000000000000000, 0.0020197100000000 ] - [ -0.0000984900000000, -0.0005609800000000, 0.0026191800000000 ] - [ -0.0001912200000000, 0.0003579600000000, 0.0012975800000000 ] - [ -0.0000655600000000, 0.0000000000000000, 0.0017931900000000 ] - [ 0.0009648400000000, -0.0001169800000000, -0.0044365400000000 ] - [ 0.0008856700000000, 0.0000000000000000, -0.0043672000000000 ] - [ 0.0009648400000000, 0.0001169800000000, -0.0044365400000000 ] - [ 0.0049516800000000, 0.0006688300000000, 0.0016711400000000 ] - [ -0.0022141900000000, -0.0028159800000000, 0.0010348800000000 ] - [ 0.0027631300000000, 0.0000000000000000, -0.0056981800000000 ] - [ -0.0003980000000000, 0.0002853700000000, -0.0013746700000000 ] - [ -0.0000920100000000, 0.0000000000000000, -0.0015518200000000 ] - [ 0.0000112200000000, -0.0001533600000000, -0.0011382100000000 ] - [ 0.0000893500000000, 0.0000000000000000, -0.0011326900000000 ] - [ 0.0001510200000000, 0.0000000000000000, -0.0012001800000000 ] - [ -0.0002139800000000, 0.0001088900000000, -0.0010949400000000 ] - [ 0.0000351600000000, 0.0000000000000000, -0.0012100200000000 ] - [ -0.0001670400000000, -0.0000966100000000, -0.0010958000000000 ] - [ -0.0000404400000000, 0.0000000000000000, -0.0015591100000000 ] - [ -0.0002139800000000, -0.0001088900000000, -0.0010949400000000 ] - [ 0.0001643100000000, 0.0000000000000000, -0.0011986900000000 ] - [ -0.0001670400000000, 0.0000966100000000, -0.0010958000000000 ] - [ 0.0002404600000000, 0.0000000000000000, -0.0012025000000000 ] - [ 0.0000557600000000, 0.0000589500000000, -0.0011208200000000 ] - [ 0.0000587900000000, 0.0000000000000000, -0.0016161200000000 ] - [ -0.0001147100000000, 0.0000011000000000, -0.0010496400000000 ] - [ -0.0007000200000000, 0.0000000000000000, -0.0035701700000000 ] - [ -0.0004581200000000, -0.0001722000000000, -0.0013953300000000 ] - [ 0.0003673000000000, 0.0000000000000000, -0.0014341800000000 ] - [ -0.0001489500000000, 0.0000210400000000, -0.0011723700000000 ] - [ 0.0004738000000000, 0.0000000000000000, -0.0003906100000000 ] - [ -0.0058848100000000, 0.0091344300000000, -0.0098394700000000 ] - [ 0.0000641200000000, 0.0000000000000000, -0.0018408300000000 ] - [ 0.0004814900000000, 0.0001937800000000, -0.0015149900000000 ] - [ 0.0013405200000000, 0.0000000000000000, 0.1754632800000000 ] - [ 0.0008883400000000, 0.0006230600000000, 0.0015574600000000 ] - [ 0.0112726800000000, 0.0000000000000000, -0.0077412600000000 ] - [ 0.0004814900000000, -0.0001937800000000, -0.0015149900000000 ] - [ -0.0005682300000000, 0.0000000000000000, 0.0083265600000000 ] - [ -0.0047702300000000, 0.0063542600000000, -0.0061035200000000 ] - [ 0.0016513500000000, 0.0000000000000000, 0.0018811300000000 ] - [ -0.0003469400000000, 0.0006078100000000, 0.0048101600000000 ] - [ -0.0010156300000000, 0.0000000000000000, -0.0033110600000000 ] - [ -0.0047702300000000, -0.0063542600000000, -0.0061035200000000 ] - [ -0.0028655100000000, 0.0000000000000000, 0.0021678900000000 ] - [ 0.0005853400000000, -0.0009858800000000, 0.0060004300000000 ] - [ 0.0004462900000000, 0.0000000000000000, -0.0000936900000000 ] - [ 0.0012544800000000, 0.0000000000000000, 0.0027664600000000 ] - [ 0.0007757100000000, 0.0005821600000000, -0.0014548700000000 ] - [ 0.0007757100000000, -0.0005821600000000, -0.0014548700000000 ] - [ 0.0000112200000000, 0.0001533600000000, -0.0011382100000000 ] - [ -0.0000047800000000, 0.0000000000000000, -0.0015158200000000 ] - [ -0.0003980000000000, -0.0002853700000000, -0.0013746700000000 ] - [ 0.0002546100000000, 0.0000000000000000, -0.0015376500000000 ] - [ 0.0000629300000000, 0.0000000000000000, -0.0012000000000000 ] - [ -0.0002226200000000, 0.0001095800000000, -0.0010945200000000 ] - [ 0.0001814300000000, 0.0000000000000000, -0.0015281200000000 ] - [ -0.0001851300000000, -0.0001010400000000, -0.0011791800000000 ] - [ -0.0001313100000000, 0.0000000000000000, -0.0016012400000000 ] - [ -0.0002226200000000, -0.0001095800000000, -0.0010945200000000 ] - [ 0.0001713400000000, 0.0000000000000000, -0.0011534100000000 ] - [ -0.0001851300000000, 0.0001010400000000, -0.0011791800000000 ] - [ 0.0001091100000000, 0.0000000000000000, -0.0011965700000000 ] - [ -0.0004581200000000, 0.0001722000000000, -0.0013953300000000 ] - [ 0.0000422000000000, 0.0000000000000000, -0.0016766600000000 ] - [ -0.0001489500000000, -0.0000210400000000, -0.0011723700000000 ] - [ 0.0010264800000000, 0.0000000000000000, -0.0015606300000000 ] - [ 0.0000557600000000, -0.0000589500000000, -0.0011208200000000 ] - [ 0.0001621500000000, 0.0000000000000000, -0.0009759300000000 ] - [ -0.0001147100000000, -0.0000011000000000, -0.0010496400000000 ] - [ -0.0007618800000000, 0.0000000000000000, -0.0016107900000000 ] - [ 0.0008883400000000, -0.0006230600000000, 0.0015574600000000 ] - [ -0.0000688600000000, 0.0000000000000000, -0.0013210600000000 ] - [ -0.0003138200000000, -0.0000555400000000, -0.0001820900000000 ] - [ -0.0004016600000000, 0.0000000000000000, 0.0039054500000000 ] - [ -0.0058848100000000, -0.0091344300000000, -0.0098394700000000 ] - [ -0.0029120400000000, 0.0000000000000000, 0.0021915600000000 ] - [ -0.0003138200000000, 0.0000555400000000, -0.0001820900000000 ] - [ -0.0007327900000000, 0.0000000000000000, 0.0027469500000000 ] - [ 0.0010370100000000, -0.0006882700000000, 0.0018771200000000 ] - [ -0.0019668000000000, 0.0000000000000000, 0.0017667400000000 ] - [ 0.0005853400000000, 0.0009858800000000, 0.0060004300000000 ] - [ 0.0009203500000000, 0.0000000000000000, -0.0013713300000000 ] - [ 0.0010370100000000, 0.0006882700000000, 0.0018771200000000 ] - [ 0.0094515400000000, 0.0000000000000000, -0.0059023100000000 ] - [ -0.0003469400000000, -0.0006078100000000, 0.0048101600000000 ] - [ -0.0011235500000000, 0.0000000000000000, -0.0016561900000000 ] - [ -0.0017933300000000, 0.0000000000000000, 0.0024806100000000 ] - [ -0.0004504600000000, 0.0000495300000000, -0.0003073600000000 ] - [ -0.0004504600000000, -0.0000495300000000, -0.0003073600000000 ]- atom: 87 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0000291300000000, 0.0000000000000000, -0.0000077100000000 ] - [ -0.0000746100000000, 0.0000000000000000, 0.0001343900000000 ] - [ 0.0000829700000000, 0.0000000000000000, 0.0000625200000000 ] - [ -0.0000707100000000, 0.0000000000000000, 0.0002261600000000 ] - [ 0.0031351300000000, 0.0000000000000000, 0.0001861400000000 ] - [ 0.0002118400000000, 0.0000000000000000, 0.0006351100000000 ] - [ 0.0031549900000000, 0.0000000000000000, -0.0029940600000000 ] - [ 0.0180770200000000, 0.0000000000000000, 0.0051276100000000 ] - [ -0.0001266600000000, 0.0000000000000000, 0.0004050600000000 ] - [ 0.0021296700000000, 0.0000000000000000, -0.0005236900000000 ] - [ 0.0000871000000000, 0.0000000000000000, 0.0001945900000000 ] - [ -0.0001166300000000, 0.0000000000000000, 0.0001439000000000 ] - [ -0.0001597700000000, 0.0000000000000000, 0.0002317400000000 ] - [ -0.0001153600000000, 0.0000000000000000, 0.0002149600000000 ] - [ -0.0016278100000000, 0.0000000000000000, 0.0000782100000000 ] - [ -0.0001010200000000, 0.0000000000000000, -0.0001860000000000 ] - [ -0.0049357500000000, 0.0000000000000000, 0.0019177700000000 ] - [ -0.0027818000000000, 0.0000000000000000, 0.0033348000000000 ] - [ -0.0001281400000000, 0.0000000000000000, -0.0002035500000000 ] - [ -0.0014476900000000, 0.0000000000000000, -0.0002490600000000 ] - [ -0.0000096500000000, 0.0000000000000000, 0.0002351400000000 ] - [ 0.0002186000000000, 0.0000000000000000, 0.0001400600000000 ] - [ 0.0000622200000000, -0.0001406500000000, 0.0002060200000000 ] - [ -0.0001059700000000, 0.0000000000000000, 0.0002827300000000 ] - [ 0.0000622200000000, 0.0001406500000000, 0.0002060200000000 ] - [ -0.0001524600000000, 0.0000687200000000, 0.0001318400000000 ] - [ 0.0048530800000000, 0.0000000000000000, -0.0003565500000000 ] - [ 0.0012341700000000, 0.0000000000000000, 0.0000027000000000 ] - [ 0.0000639300000000, -0.0000368000000000, 0.0003325500000000 ] - [ -0.0060329100000000, 0.0000000000000000, -0.0038068700000000 ] - [ -0.0001945300000000, 0.0000000000000000, 0.0002927700000000 ] - [ -0.0011549200000000, -0.0024152200000000, 0.0024152100000000 ] - [ -0.0001628600000000, -0.0001765100000000, -0.0019857600000000 ] - [ 0.0002085600000000, 0.0000000000000000, -0.0002719000000000 ] - [ 0.0163400500000000, -0.0101590700000000, -0.0084367200000000 ] - [ 0.0008423300000000, 0.0000000000000000, 0.0044784200000000 ] - [ 0.0163400500000000, 0.0101590700000000, -0.0084367200000000 ] - [ -0.0006215800000000, 0.0002480900000000, 0.0003781600000000 ] - [ 0.0008355100000000, -0.0000637000000000, -0.0000479600000000 ] - [ -0.0016658000000000, 0.0000000000000000, 0.0014387700000000 ] - [ 0.0001207500000000, 0.0000000000000000, 0.0002684200000000 ] - [ -0.0000351800000000, 0.0000000000000000, 0.0003596100000000 ] - [ 0.0000147500000000, -0.0001345500000000, 0.0002556000000000 ] - [ -0.0002232500000000, 0.0000000000000000, 0.0003533600000000 ] - [ 0.0000147500000000, 0.0001345500000000, 0.0002556000000000 ] - [ 0.0000639300000000, 0.0000368000000000, 0.0003325500000000 ] - [ -0.0045746400000000, 0.0000000000000000, -0.0000263200000000 ] - [ -0.0014146500000000, 0.0000000000000000, 0.0002153300000000 ] - [ -0.0001524600000000, -0.0000687200000000, 0.0001318400000000 ] - [ 0.0788169700000000, 0.0000000000000000, -0.0194084200000000 ] - [ -0.0001603700000000, 0.0000000000000000, 0.0002238700000000 ] - [ -0.0001628600000000, 0.0001765100000000, -0.0019857600000000 ] - [ -0.0011549200000000, 0.0024152200000000, 0.0024152100000000 ] - [ -0.0003496800000000, 0.0000000000000000, 0.0006260800000000 ] - [ -0.0064384100000000, 0.0000583500000000, -0.0031050800000000 ] - [ -0.0003991300000000, 0.0000000000000000, -0.0015044200000000 ] - [ -0.0064384100000000, -0.0000583500000000, -0.0031050800000000 ] - [ 0.0008355100000000, 0.0000637000000000, -0.0000479600000000 ] - [ -0.0006215800000000, -0.0002480900000000, 0.0003781600000000 ] - [ 0.0002351500000000, 0.0000000000000000, -0.0041423000000000 ] - [ -0.0000836600000000, 0.0001573900000000, -0.0001588300000000 ] - [ -0.0001065100000000, 0.0000000000000000, -0.0000661000000000 ] - [ -0.0000062100000000, -0.0001327400000000, -0.0001763700000000 ] - [ 0.0000157200000000, 0.0000000000000000, -0.0001403700000000 ] - [ -0.0000298900000000, 0.0000000000000000, -0.0002033600000000 ] - [ -0.0001380800000000, 0.0000170000000000, -0.0001085000000000 ] - [ 0.0000832200000000, 0.0000000000000000, -0.0002518000000000 ] - [ -0.0000734600000000, -0.0000147500000000, -0.0001644300000000 ] - [ -0.0003328400000000, 0.0000000000000000, -0.0002799500000000 ] - [ -0.0001380800000000, -0.0000170000000000, -0.0001085000000000 ] - [ -0.0000072200000000, 0.0000000000000000, -0.0000980500000000 ] - [ -0.0000734600000000, 0.0000147500000000, -0.0001644300000000 ] - [ -0.0002533700000000, 0.0000000000000000, -0.0002004700000000 ] - [ -0.0011608300000000, 0.0005157100000000, -0.0009337500000000 ] - [ -0.0000243500000000, 0.0000000000000000, -0.0003130400000000 ] - [ -0.0000269000000000, 0.0001025400000000, -0.0003289000000000 ] - [ 0.0011333300000000, 0.0000000000000000, 0.0028432300000000 ] - [ 0.0007693900000000, 0.0002467600000000, 0.0003790800000000 ] - [ -0.0005197200000000, 0.0000000000000000, 0.0008665100000000 ] - [ 0.0000237800000000, -0.0001226500000000, 0.0001052000000000 ] - [ -0.0015702700000000, 0.0000000000000000, -0.0007685800000000 ] - [ 0.0134022300000000, -0.0098375900000000, 0.0014215500000000 ] - [ -0.0003653000000000, 0.0000000000000000, 0.0006450100000000 ] - [ -0.0019535700000000, -0.0013111400000000, 0.0031910300000000 ] - [ 0.0032065100000000, 0.0000000000000000, -0.0119318900000000 ] - [ 0.0090523700000000, 0.0064378800000000, 0.0020087800000000 ] - [ -0.1616352200000000, 0.0000000000000000, 0.0371334000000000 ] - [ -0.0019535700000000, 0.0013111400000000, 0.0031910300000000 ] - [ -0.0009143000000000, 0.0000000000000000, -0.0013044700000000 ] - [ -0.0009882500000000, 0.0005634300000000, -0.0007949500000000 ] - [ -0.0058448200000000, 0.0000000000000000, 0.0014641800000000 ] - [ 0.0024306300000000, 0.0000317300000000, -0.0003125300000000 ] - [ -0.0002199300000000, 0.0000000000000000, -0.0002192500000000 ] - [ -0.0009882500000000, -0.0005634300000000, -0.0007949500000000 ] - [ -0.0003449900000000, 0.0000000000000000, 0.0006708900000000 ] - [ -0.0031658600000000, 0.0015694500000000, 0.0024130900000000 ] - [ 0.0001801300000000, 0.0000000000000000, 0.0000167400000000 ] - [ 0.0003515100000000, 0.0000000000000000, -0.0005078200000000 ] - [ 0.0000522000000000, 0.0000647900000000, -0.0002936000000000 ] - [ 0.0000522000000000, -0.0000647900000000, -0.0002936000000000 ] - [ -0.0000062100000000, 0.0001327400000000, -0.0001763700000000 ] - [ -0.0000752900000000, 0.0000000000000000, -0.0000847900000000 ] - [ -0.0000836600000000, -0.0001573900000000, -0.0001588300000000 ] - [ -0.0000243000000000, 0.0000000000000000, -0.0002265500000000 ] - [ -0.0000741700000000, 0.0000000000000000, -0.0001776700000000 ] - [ -0.0000324700000000, 0.0000027900000000, -0.0001032900000000 ] - [ 0.0000716800000000, 0.0000000000000000, -0.0003187900000000 ] - [ -0.0000731300000000, -0.0000091000000000, -0.0001541100000000 ] - [ 0.0000768200000000, 0.0000000000000000, -0.0001201100000000 ] - [ -0.0000324700000000, -0.0000027900000000, -0.0001032900000000 ] - [ -0.0000168700000000, 0.0000000000000000, -0.0001954800000000 ] - [ -0.0000731300000000, 0.0000091000000000, -0.0001541100000000 ] - [ 0.0002100300000000, 0.0000000000000000, -0.0001302500000000 ] - [ 0.0007693900000000, -0.0002467600000000, 0.0003790800000000 ] - [ -0.0000015000000000, 0.0000000000000000, -0.0001821900000000 ] - [ 0.0000237800000000, 0.0001226500000000, 0.0001052000000000 ] - [ 0.0025618200000000, 0.0000000000000000, -0.0095745400000000 ] - [ -0.0011608300000000, -0.0005157100000000, -0.0009337500000000 ] - [ 0.0012536100000000, 0.0000000000000000, -0.0013955200000000 ] - [ -0.0000269000000000, -0.0001025400000000, -0.0003289000000000 ] - [ 0.0017691400000000, 0.0000000000000000, 0.0018174700000000 ] - [ 0.0090523700000000, -0.0064378800000000, 0.0020087800000000 ] - [ 0.0002699200000000, 0.0000000000000000, -0.0006778800000000 ] - [ 0.0019728400000000, -0.0001772400000000, -0.0004397700000000 ] - [ 0.0012299700000000, 0.0000000000000000, 0.0027465500000000 ] - [ 0.0134022300000000, 0.0098375900000000, 0.0014215500000000 ] - [ 0.0080348800000000, 0.0000000000000000, -0.0006817000000000 ] - [ 0.0019728400000000, 0.0001772400000000, -0.0004397700000000 ] - [ 0.0012139700000000, 0.0000000000000000, 0.0017365500000000 ] - [ 0.0006627000000000, -0.0001664100000000, 0.0004284200000000 ] - [ 0.0040523000000000, 0.0000000000000000, 0.0002153000000000 ] - [ -0.0031658600000000, -0.0015694500000000, 0.0024130900000000 ] - [ 0.0002091600000000, 0.0000000000000000, -0.0000838100000000 ] - [ 0.0006627000000000, 0.0001664100000000, 0.0004284200000000 ] - [ 0.0014425800000000, 0.0000000000000000, -0.0012593500000000 ] - [ 0.0024306300000000, -0.0000317300000000, -0.0003125300000000 ] - [ -0.0002370500000000, 0.0000000000000000, -0.0000771300000000 ] - [ -0.0002802700000000, 0.0000000000000000, 0.0007741400000000 ] - [ 0.0000422700000000, 0.0000289300000000, 0.0000838000000000 ] - [ 0.0000422700000000, -0.0000289300000000, 0.0000838000000000 ]- atom: 87 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0000943900000000, 0.0000000000000000, -0.0001502200000000 ] - [ -0.0000817700000000, 0.0000000000000000, -0.0001684100000000 ] - [ -0.0002010800000000, 0.0000000000000000, -0.0000820700000000 ] - [ -0.0001280700000000, 0.0000000000000000, -0.0001405300000000 ] - [ -0.0031689800000000, 0.0000000000000000, -0.0002088000000000 ] - [ -0.0001428200000000, 0.0000000000000000, -0.0006458500000000 ] - [ -0.0031641900000000, 0.0000000000000000, 0.0030697600000000 ] - [ -0.0170428600000000, 0.0000000000000000, -0.0042891800000000 ] - [ 0.0000802700000000, 0.0000000000000000, -0.0004853800000000 ] - [ -0.0018730500000000, 0.0000000000000000, 0.0004637400000000 ] - [ -0.0000190100000000, 0.0000000000000000, -0.0003535000000000 ] - [ -0.0000401900000000, 0.0000000000000000, -0.0001782100000000 ] - [ 0.0000433800000000, 0.0000000000000000, -0.0002521100000000 ] - [ -0.0000830100000000, 0.0000000000000000, -0.0001296000000000 ] - [ 0.0016180800000000, 0.0000000000000000, -0.0001127300000000 ] - [ 0.0001737700000000, 0.0000000000000000, 0.0001769000000000 ] - [ 0.0049873800000000, 0.0000000000000000, -0.0018577700000000 ] - [ 0.0027913600000000, 0.0000000000000000, -0.0034159500000000 ] - [ 0.0000739800000000, 0.0000000000000000, 0.0001263900000000 ] - [ 0.0016952400000000, 0.0000000000000000, 0.0002108800000000 ] - [ 0.0001274700000000, 0.0000000000000000, -0.0002723600000000 ] - [ -0.0000552100000000, 0.0000000000000000, -0.0001569600000000 ] - [ -0.0000245700000000, -0.0001568100000000, -0.0002338300000000 ] - [ -0.0002065300000000, 0.0000000000000000, -0.0001606200000000 ] - [ -0.0000245700000000, 0.0001568100000000, -0.0002338300000000 ] - [ 0.0000835200000000, 0.0001116800000000, -0.0001550400000000 ] - [ -0.0048807200000000, 0.0000000000000000, 0.0004406400000000 ] - [ -0.0013320300000000, 0.0000000000000000, 0.0000501500000000 ] - [ -0.0001348200000000, -0.0001436400000000, -0.0003560500000000 ] - [ 0.0061585600000000, 0.0000000000000000, 0.0036745300000000 ] - [ -0.0001439600000000, 0.0000000000000000, -0.0002859100000000 ] - [ 0.0012004600000000, 0.0023458000000000, -0.0024505500000000 ] - [ 0.0002259500000000, 0.0002587200000000, 0.0019654900000000 ] - [ -0.0003335900000000, 0.0000000000000000, 0.0003348800000000 ] - [ -0.0161018300000000, 0.0098995600000000, 0.0082206700000000 ] - [ -0.0009157700000000, 0.0000000000000000, -0.0045096500000000 ] - [ -0.0161018300000000, -0.0098995600000000, 0.0082206700000000 ] - [ 0.0006737700000000, -0.0002222000000000, -0.0004641100000000 ] - [ -0.0007851600000000, 0.0000369700000000, -0.0000453800000000 ] - [ 0.0017801300000000, 0.0000000000000000, -0.0014535400000000 ] - [ -0.0000021500000000, 0.0000000000000000, -0.0003077800000000 ] - [ 0.0001998700000000, 0.0000000000000000, -0.0003747000000000 ] - [ 0.0000232400000000, -0.0001633900000000, -0.0002827200000000 ] - [ -0.0000888400000000, 0.0000000000000000, -0.0002316100000000 ] - [ 0.0000232400000000, 0.0001633900000000, -0.0002827200000000 ] - [ -0.0001348200000000, 0.0001436400000000, -0.0003560500000000 ] - [ 0.0045936000000000, 0.0000000000000000, 0.0000619200000000 ] - [ 0.0013285200000000, 0.0000000000000000, -0.0001685000000000 ] - [ 0.0000835200000000, -0.0001116800000000, -0.0001550400000000 ] - [ -0.0835449900000000, 0.0000000000000000, 0.0210188300000000 ] - [ -0.0001777700000000, 0.0000000000000000, -0.0002169100000000 ] - [ 0.0002259500000000, -0.0002587200000000, 0.0019654900000000 ] - [ 0.0012004600000000, -0.0023458000000000, -0.0024505500000000 ] - [ 0.0002265100000000, 0.0000000000000000, -0.0005692200000000 ] - [ 0.0067319700000000, -0.0000790900000000, 0.0031066300000000 ] - [ 0.0003053700000000, 0.0000000000000000, 0.0015000000000000 ] - [ 0.0067319700000000, 0.0000790900000000, 0.0031066300000000 ] - [ -0.0007851600000000, -0.0000369700000000, -0.0000453800000000 ] - [ 0.0006737700000000, 0.0002222000000000, -0.0004641100000000 ] - [ -0.0001812800000000, 0.0000000000000000, 0.0041354800000000 ] - [ 0.0000331900000000, 0.0001133500000000, 0.0001511200000000 ] - [ -0.0000934500000000, 0.0000000000000000, 0.0003562000000000 ] - [ -0.0000444100000000, -0.0001382300000000, 0.0001676700000000 ] - [ -0.0000722700000000, 0.0000000000000000, 0.0001214800000000 ] - [ -0.0001213200000000, 0.0000000000000000, 0.0001280900000000 ] - [ 0.0000141500000000, -0.0000398500000000, 0.0001999100000000 ] - [ 0.0000640200000000, 0.0000000000000000, 0.0000157200000000 ] - [ -0.0000403800000000, 0.0000143000000000, 0.0001417500000000 ] - [ 0.0000303100000000, 0.0000000000000000, 0.0004399800000000 ] - [ 0.0000141500000000, 0.0000398500000000, 0.0001999100000000 ] - [ -0.0000862300000000, 0.0000000000000000, 0.0001216800000000 ] - [ -0.0000403800000000, -0.0000143000000000, 0.0001417500000000 ] - [ 0.0001949700000000, 0.0000000000000000, 0.0001399700000000 ] - [ 0.0011515100000000, -0.0006452100000000, 0.0008042300000000 ] - [ -0.0000197800000000, 0.0000000000000000, 0.0002157800000000 ] - [ 0.0000443200000000, 0.0001179600000000, 0.0003651600000000 ] - [ -0.0010163200000000, 0.0000000000000000, -0.0028037400000000 ] - [ -0.0007905400000000, -0.0001206500000000, -0.0005114400000000 ] - [ 0.0004802800000000, 0.0000000000000000, -0.0008184600000000 ] - [ -0.0000077500000000, -0.0000977400000000, -0.0000711100000000 ] - [ 0.0014220700000000, 0.0000000000000000, 0.0008061700000000 ] - [ -0.0133281400000000, 0.0097401700000000, -0.0014889300000000 ] - [ 0.0002056400000000, 0.0000000000000000, -0.0008075300000000 ] - [ 0.0020081500000000, 0.0013211900000000, -0.0030231300000000 ] - [ -0.0029705900000000, 0.0000000000000000, 0.0118054000000000 ] - [ -0.0092201800000000, -0.0065776900000000, -0.0021089900000000 ] - [ 0.1654517900000000, 0.0000000000000000, -0.0393847800000000 ] - [ 0.0020081500000000, -0.0013211900000000, -0.0030231300000000 ] - [ 0.0009772200000000, 0.0000000000000000, 0.0013377400000000 ] - [ 0.0010235300000000, -0.0005302400000000, 0.0008017300000000 ] - [ 0.0059224200000000, 0.0000000000000000, -0.0014547500000000 ] - [ -0.0022183300000000, 0.0000815400000000, 0.0002597900000000 ] - [ 0.0001837900000000, 0.0000000000000000, 0.0004713800000000 ] - [ 0.0010235300000000, 0.0005302400000000, 0.0008017300000000 ] - [ 0.0006737200000000, 0.0000000000000000, -0.0007423800000000 ] - [ 0.0034453200000000, -0.0016747600000000, -0.0024256400000000 ] - [ -0.0002025800000000, 0.0000000000000000, 0.0002074000000000 ] - [ -0.0003149900000000, 0.0000000000000000, 0.0004931200000000 ] - [ 0.0000462300000000, -0.0000149000000000, 0.0003514800000000 ] - [ 0.0000462300000000, 0.0000149000000000, 0.0003514800000000 ] - [ -0.0000444100000000, 0.0001382300000000, 0.0001676700000000 ] - [ -0.0001241800000000, 0.0000000000000000, 0.0003752100000000 ] - [ 0.0000331900000000, -0.0001133500000000, 0.0001511200000000 ] - [ -0.0000334900000000, 0.0000000000000000, 0.0002076700000000 ] - [ -0.0000769600000000, 0.0000000000000000, 0.0001025300000000 ] - [ -0.0000916400000000, -0.0000253500000000, 0.0001948800000000 ] - [ 0.0000749600000000, 0.0000000000000000, 0.0000826000000000 ] - [ -0.0000410500000000, 0.0000088300000000, 0.0001313700000000 ] - [ -0.0003810800000000, 0.0000000000000000, 0.0002809700000000 ] - [ -0.0000916400000000, 0.0000253500000000, 0.0001948800000000 ] - [ -0.0000760800000000, 0.0000000000000000, 0.0002192400000000 ] - [ -0.0000410500000000, -0.0000088300000000, 0.0001313700000000 ] - [ -0.0002706000000000, 0.0000000000000000, 0.0000704600000000 ] - [ -0.0007905400000000, 0.0001206500000000, -0.0005114400000000 ] - [ -0.0000439300000000, 0.0000000000000000, 0.0000839700000000 ] - [ -0.0000077500000000, 0.0000977400000000, -0.0000711100000000 ] - [ -0.0024569500000000, 0.0000000000000000, 0.0097191300000000 ] - [ 0.0011515100000000, 0.0006452100000000, 0.0008042300000000 ] - [ -0.0012969400000000, 0.0000000000000000, 0.0014588000000000 ] - [ 0.0000443200000000, -0.0001179600000000, 0.0003651600000000 ] - [ -0.0019451500000000, 0.0000000000000000, -0.0017764500000000 ] - [ -0.0092201800000000, 0.0065776900000000, -0.0021089900000000 ] - [ -0.0004265800000000, 0.0000000000000000, 0.0005253900000000 ] - [ -0.0019058100000000, 0.0001776500000000, 0.0006516400000000 ] - [ -0.0009589100000000, 0.0000000000000000, -0.0028411500000000 ] - [ -0.0133281400000000, -0.0097401700000000, -0.0014889300000000 ] - [ -0.0080175700000000, 0.0000000000000000, 0.0007577000000000 ] - [ -0.0019058100000000, -0.0001776500000000, 0.0006516400000000 ] - [ -0.0011150200000000, 0.0000000000000000, -0.0017378200000000 ] - [ -0.0006237100000000, 0.0002000100000000, -0.0004302500000000 ] - [ -0.0040129300000000, 0.0000000000000000, -0.0001824600000000 ] - [ 0.0034453200000000, 0.0016747600000000, -0.0024256400000000 ] - [ -0.0002447000000000, 0.0000000000000000, 0.0003324200000000 ] - [ -0.0006237100000000, -0.0002000100000000, -0.0004302500000000 ] - [ -0.0011241100000000, 0.0000000000000000, 0.0011792400000000 ] - [ -0.0022183300000000, -0.0000815400000000, 0.0002597900000000 ] - [ 0.0002142600000000, 0.0000000000000000, 0.0003042800000000 ] - [ 0.0003245800000000, 0.0000000000000000, -0.0007798300000000 ] - [ 0.0000593500000000, 0.0000214000000000, -0.0000245500000000 ] - [ 0.0000593500000000, -0.0000214000000000, -0.0000245500000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000324000000000, 0.0000141000000000, -0.0000761000000000 ] - [ -0.0000754900000000, -0.0000006800000000, -0.0000168900000000 ] - [ -0.0000597600000000, 0.0000097600000000, -0.0000090300000000 ] - [ -0.0000990700000000, 0.0000009600000000, 0.0000429300000000 ] - [ -0.0000022200000000, 0.0012284300000000, -0.0000114200000000 ] - [ 0.0000357700000000, 0.0000453500000000, -0.0000027600000000 ] - [ 0.0000387500000000, -0.0038086500000000, 0.0000268800000000 ] - [ -0.0000290200000000, 0.0079142800000000, -0.0000635700000000 ] - [ -0.0000232700000000, -0.0000893300000000, -0.0000373700000000 ] - [ 0.0001208900000000, -0.0023178900000000, -0.0000189500000000 ] - [ 0.0000319500000000, 0.0000095200000000, -0.0000762800000000 ] - [ -0.0000754200000000, -0.0000004900000000, -0.0000168700000000 ] - [ -0.0000594200000000, 0.0000051000000000, -0.0000089900000000 ] - [ -0.0000988000000000, 0.0000009200000000, 0.0000430200000000 ] - [ -0.0000077200000000, -0.0000237500000000, -0.0000149400000000 ] - [ 0.0000350600000000, 0.0000288200000000, -0.0000038400000000 ] - [ 0.0000255700000000, 0.0023544700000000, 0.0000227300000000 ] - [ 0.0000033800000000, -0.0012772700000000, -0.0000276200000000 ] - [ -0.0000222900000000, -0.0000134700000000, -0.0000368700000000 ] - [ 0.0001237100000000, 0.0000886500000000, -0.0000210200000000 ] - [ 0.0000637500000000, 0.0000003400000000, -0.0000161900000000 ] - [ 0.0000789900000000, -0.0000230900000000, 0.0000005300000000 ] - [ 0.0000162600000000, -0.0001520900000000, -0.0000119400000000 ] - [ -0.0001548300000000, -0.0000014900000000, 0.0000616400000000 ] - [ 0.0000136000000000, 0.0001517800000000, -0.0000133200000000 ] - [ -0.0000441900000000, 0.0000895300000000, -0.0000164100000000 ] - [ -0.0000057900000000, -0.0064281400000000, -0.0000244400000000 ] - [ -0.0000417400000000, -0.0001826600000000, 0.0000279300000000 ] - [ -0.0000295200000000, -0.0000908200000000, -0.0000055700000000 ] - [ 0.0000510900000000, -0.0058282500000000, -0.0000584400000000 ] - [ -0.0001735500000000, 0.0000006400000000, 0.0000042200000000 ] - [ -0.0000093600000000, 0.0000114800000000, 0.0000377000000000 ] - [ 0.0011941700000000, 0.0000750100000000, 0.0007795700000000 ] - [ -0.0000652300000000, -0.0000666600000000, 0.0000283500000000 ] - [ -0.0094810000000000, 0.0254705100000000, 0.0181265900000000 ] - [ -0.0000391100000000, -0.0000107600000000, -0.0000142200000000 ] - [ 0.0104857600000000, 0.0267202700000000, -0.0194000300000000 ] - [ 0.0000302400000000, 0.0000086700000000, -0.0000537700000000 ] - [ -0.0000726200000000, -0.0000179400000000, -0.0002393900000000 ] - [ 0.0000425000000000, -0.0003271200000000, -0.0000154400000000 ] - [ 0.0000634600000000, 0.0000024500000000, -0.0000159400000000 ] - [ 0.0000791100000000, -0.0000115500000000, -0.0000006400000000 ] - [ 0.0000158700000000, -0.0001517000000000, -0.0000130300000000 ] - [ -0.0001545000000000, -0.0000023100000000, 0.0000613400000000 ] - [ 0.0000140100000000, 0.0001523700000000, -0.0000120500000000 ] - [ -0.0000389100000000, 0.0000902500000000, -0.0000134900000000 ] - [ -0.0000068100000000, 0.0004228300000000, 0.0000181500000000 ] - [ -0.0000434500000000, -0.0000099500000000, 0.0000292300000000 ] - [ -0.0000244400000000, -0.0000915000000000, -0.0000032300000000 ] - [ 0.0002725300000000, 0.0063680900000000, -0.0001444000000000 ] - [ -0.0001734000000000, -0.0000001800000000, 0.0000037200000000 ] - [ -0.0011525500000000, -0.0000086400000000, -0.0008047700000000 ] - [ 0.0000535800000000, 0.0001103900000000, -0.0000575300000000 ] - [ -0.0000653800000000, -0.0000121800000000, 0.0000296900000000 ] - [ 0.0011614000000000, 0.0001375600000000, 0.0008652100000000 ] - [ -0.0000342800000000, -0.0002269000000000, -0.0000047100000000 ] - [ -0.0008910900000000, 0.0001694300000000, -0.0009067200000000 ] - [ 0.0001173100000000, 0.0000023000000000, 0.0001584800000000 ] - [ 0.0000181500000000, -0.0000117600000000, -0.0000299400000000 ] - [ 0.0000426800000000, 0.0049531900000000, -0.0000178200000000 ] - [ -0.0000229400000000, 0.0001296800000000, -0.0000044100000000 ] - [ -0.0001031900000000, 0.0000002400000000, 0.0001394600000000 ] - [ -0.0000264800000000, -0.0001317200000000, 0.0000012100000000 ] - [ -0.0000340200000000, 0.0000044800000000, -0.0000069900000000 ] - [ -0.0000733800000000, -0.0000005700000000, -0.0000375000000000 ] - [ -0.0000621000000000, -0.0000091300000000, 0.0000433900000000 ] - [ 0.0000767700000000, -0.0000036200000000, -0.0001181600000000 ] - [ -0.0000541800000000, -0.0000027900000000, -0.0000129600000000 ] - [ -0.0001513700000000, -0.0000047500000000, 0.0000799100000000 ] - [ -0.0000654700000000, 0.0000086500000000, 0.0000438900000000 ] - [ -0.0000447400000000, 0.0000043100000000, 0.0000094000000000 ] - [ -0.0000540800000000, 0.0000023400000000, -0.0000123200000000 ] - [ -0.0000298700000000, 0.0000047600000000, -0.0000311100000000 ] - [ 0.0002067400000000, -0.0001019000000000, -0.0001695100000000 ] - [ -0.0000217900000000, -0.0000020500000000, -0.0000473800000000 ] - [ 0.0000147600000000, 0.0001126900000000, 0.0000051100000000 ] - [ 0.0000654300000000, 0.0009602700000000, 0.0000166300000000 ] - [ 0.0000322800000000, 0.0000690000000000, -0.0000422600000000 ] - [ -0.0000150100000000, 0.0006018400000000, 0.0000267200000000 ] - [ 0.0000275700000000, -0.0001190800000000, 0.0000479700000000 ] - [ -0.0000932000000000, 0.0004074400000000, 0.0000240700000000 ] - [ -0.0096598400000000, 0.0036646500000000, -0.0011824200000000 ] - [ -0.0000794100000000, -0.0006519400000000, -0.0000781700000000 ] - [ -0.0016919300000000, 0.0017677700000000, -0.0046377600000000 ] - [ 0.0001280100000000, -0.0052083400000000, -0.0000192700000000 ] - [ 0.0041468800000000, 0.0020787000000000, 0.0005659800000000 ] - [ -0.0009114000000000, -0.0936977600000000, 0.0014217600000000 ] - [ 0.0017798700000000, 0.0017362000000000, 0.0048712300000000 ] - [ 0.0000319300000000, 0.0018486000000000, 0.0000212800000000 ] - [ 0.0002782800000000, -0.0000107300000000, -0.0002426300000000 ] - [ 0.0000106500000000, 0.0229030300000000, 0.0000245000000000 ] - [ -0.0000825000000000, 0.0000205500000000, 0.0003670700000000 ] - [ -0.0000147700000000, 0.0000058700000000, 0.0001250100000000 ] - [ -0.0002353300000000, -0.0000504900000000, 0.0002408300000000 ] - [ 0.0001611000000000, 0.0006118500000000, -0.0000417400000000 ] - [ 0.0035196000000000, 0.0020424000000000, 0.0058825400000000 ] - [ -0.0000095500000000, 0.0000043000000000, 0.0001121200000000 ] - [ 0.0000162000000000, 0.0000182000000000, -0.0000127800000000 ] - [ 0.0000635000000000, 0.0000321000000000, 0.0000131900000000 ] - [ 0.0000314600000000, -0.0000225700000000, 0.0000483500000000 ] - [ -0.0000227400000000, 0.0001298900000000, -0.0000032700000000 ] - [ -0.0001027000000000, 0.0000004300000000, 0.0001399500000000 ] - [ -0.0000263300000000, -0.0001309600000000, 0.0000021400000000 ] - [ -0.0000335000000000, 0.0000013900000000, -0.0000067300000000 ] - [ -0.0000733400000000, -0.0000004400000000, -0.0000374700000000 ] - [ -0.0000634900000000, -0.0000083000000000, 0.0000424400000000 ] - [ 0.0000770300000000, -0.0000011000000000, -0.0001179500000000 ] - [ -0.0000540400000000, -0.0000027000000000, -0.0000132100000000 ] - [ -0.0001503800000000, 0.0000053100000000, 0.0000799200000000 ] - [ -0.0000638700000000, 0.0000083900000000, 0.0000441600000000 ] - [ -0.0000450000000000, 0.0000012500000000, 0.0000094300000000 ] - [ -0.0000541900000000, 0.0000021300000000, -0.0000123700000000 ] - [ -0.0000297700000000, -0.0000066400000000, -0.0000306400000000 ] - [ -0.0000533500000000, -0.0000464600000000, -0.0000972100000000 ] - [ -0.0000215000000000, -0.0000058200000000, -0.0000472500000000 ] - [ -0.0000090500000000, 0.0001038100000000, -0.0000128500000000 ] - [ 0.0000754300000000, -0.0015013800000000, -0.0000050800000000 ] - [ -0.0002328000000000, 0.0000094400000000, 0.0000291300000000 ] - [ -0.0000123000000000, 0.0000218500000000, 0.0000232000000000 ] - [ 0.0000024900000000, -0.0001117800000000, 0.0000278800000000 ] - [ -0.0000865700000000, -0.0008348500000000, 0.0000172100000000 ] - [ -0.0042218000000000, 0.0021000100000000, -0.0006334700000000 ] - [ -0.0000796400000000, 0.0000210500000000, -0.0000808500000000 ] - [ -0.0000049600000000, -0.0000139200000000, 0.0003200800000000 ] - [ 0.0001301100000000, 0.0009691800000000, -0.0000282900000000 ] - [ 0.0096774200000000, 0.0036032300000000, 0.0011252300000000 ] - [ 0.0000157600000000, 0.0014296400000000, 0.0000401200000000 ] - [ 0.0000838100000000, -0.0000207400000000, -0.0001140200000000 ] - [ 0.0000350700000000, -0.0007684300000000, 0.0000106600000000 ] - [ -0.0000015700000000, 0.0000373100000000, 0.0000101600000000 ] - [ 0.0000264000000000, -0.0010936300000000, 0.0000155000000000 ] - [ -0.0033349900000000, 0.0021653300000000, -0.0059832300000000 ] - [ -0.0000153700000000, -0.0000048200000000, 0.0001252500000000 ] - [ 0.0000395700000000, -0.0000046200000000, -0.0000129800000000 ] - [ 0.0001597100000000, 0.0000225700000000, -0.0000384700000000 ] - [ 0.0003075000000000, -0.0001074400000000, -0.0004092000000000 ] - [ -0.0000090700000000, -0.0000089700000000, 0.0001120900000000 ] - [ 0.0000156400000000, -0.0004413200000000, -0.0000163900000000 ] - [ 0.0000259900000000, 0.0000321100000000, -0.0000130600000000 ] - [ 0.0000682300000000, -0.0000226500000000, 0.0000732200000000 ]- atom: 87 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0001144000000000, 0.0000000000000000, -0.0009334500000000 ] - [ 0.0000263000000000, 0.0000000000000000, -0.0008809100000000 ] - [ -0.0001020100000000, 0.0000000000000000, -0.0008997300000000 ] - [ -0.0001285200000000, 0.0000000000000000, -0.0009240800000000 ] - [ 0.0002139600000000, 0.0000000000000000, -0.0032460300000000 ] - [ 0.0002141300000000, 0.0000000000000000, -0.0011456500000000 ] - [ -0.0021333400000000, 0.0000000000000000, 0.0047855500000000 ] - [ 0.0058769700000000, 0.0000000000000000, 0.0148062600000000 ] - [ 0.0005009600000000, 0.0000000000000000, -0.0010077900000000 ] - [ 0.0020747900000000, 0.0000000000000000, -0.0020878400000000 ] - [ 0.0002040300000000, 0.0000000000000000, -0.0010382300000000 ] - [ -0.0000095800000000, 0.0000000000000000, -0.0008376400000000 ] - [ -0.0000294400000000, 0.0000000000000000, -0.0008176100000000 ] - [ -0.0001401600000000, 0.0000000000000000, -0.0008942300000000 ] - [ -0.0001476500000000, 0.0000000000000000, 0.0001212600000000 ] - [ -0.0004475600000000, 0.0000000000000000, -0.0008857200000000 ] - [ 0.0018420700000000, 0.0000000000000000, 0.0036504700000000 ] - [ 0.0003450500000000, 0.0000000000000000, 0.0023894500000000 ] - [ -0.0005366400000000, 0.0000000000000000, -0.0006598600000000 ] - [ 0.0002762700000000, 0.0000000000000000, 0.0002378200000000 ] - [ 0.0000487800000000, 0.0000000000000000, -0.0012503000000000 ] - [ -0.0000506600000000, 0.0000000000000000, -0.0016127000000000 ] - [ -0.0001162700000000, -0.0002001500000000, -0.0013573900000000 ] - [ -0.0001374800000000, 0.0000000000000000, -0.0013651800000000 ] - [ -0.0001162700000000, 0.0002001500000000, -0.0013573900000000 ] - [ -0.0001815900000000, 0.0001619100000000, -0.0012543500000000 ] - [ 0.0023981800000000, 0.0000000000000000, 0.0042242600000000 ] - [ 0.0003763300000000, 0.0000000000000000, -0.0019233600000000 ] - [ 0.0000318400000000, -0.0001721000000000, -0.0013890200000000 ] - [ -0.0004742500000000, 0.0000000000000000, 0.0032734000000000 ] - [ -0.0001257600000000, 0.0000000000000000, -0.0013849300000000 ] - [ 0.0018041600000000, 0.0016823400000000, -0.0008648500000000 ] - [ -0.0030413400000000, -0.0000831200000000, -0.0010015000000000 ] - [ -0.0001460000000000, 0.0000000000000000, -0.0016388900000000 ] - [ -0.0062928400000000, 0.0179076900000000, 0.0264644300000000 ] - [ 0.0005615900000000, 0.0000000000000000, -0.0042543900000000 ] - [ -0.0062928400000000, -0.0179076900000000, 0.0264644300000000 ] - [ 0.0002519300000000, -0.0002529300000000, -0.0010070400000000 ] - [ -0.0001475400000000, -0.0000604200000000, -0.0019149600000000 ] - [ 0.0013704600000000, 0.0000000000000000, 0.0005716000000000 ] - [ 0.0001406400000000, 0.0000000000000000, -0.0015009100000000 ] - [ 0.0001423300000000, 0.0000000000000000, -0.0013752600000000 ] - [ -0.0000510100000000, -0.0002051600000000, -0.0013133500000000 ] - [ -0.0000792400000000, 0.0000000000000000, -0.0013066800000000 ] - [ -0.0000510100000000, 0.0002051600000000, -0.0013133500000000 ] - [ 0.0000318400000000, 0.0001721000000000, -0.0013890200000000 ] - [ -0.0002122800000000, 0.0000000000000000, 0.0029230100000000 ] - [ 0.0001995600000000, 0.0000000000000000, -0.0008841600000000 ] - [ -0.0001815900000000, -0.0001619100000000, -0.0012543500000000 ] - [ -0.0060300000000000, 0.0000000000000000, 0.0118928700000000 ] - [ -0.0001324000000000, 0.0000000000000000, -0.0013970400000000 ] - [ -0.0030413400000000, 0.0000831200000000, -0.0010015000000000 ] - [ 0.0018041600000000, -0.0016823400000000, -0.0008648500000000 ] - [ 0.0001448000000000, 0.0000000000000000, -0.0010019900000000 ] - [ -0.0000983800000000, 0.0000917300000000, 0.0033931900000000 ] - [ -0.0014078400000000, 0.0000000000000000, 0.0000588200000000 ] - [ -0.0000983800000000, -0.0000917300000000, 0.0033931900000000 ] - [ -0.0001475400000000, 0.0000604200000000, -0.0019149600000000 ] - [ 0.0002519300000000, 0.0002529300000000, -0.0010070400000000 ] - [ -0.0055926800000000, 0.0000000000000000, -0.0034797500000000 ] - [ 0.0000806100000000, 0.0001058600000000, 0.0009223700000000 ] - [ -0.0001343600000000, 0.0000000000000000, 0.0013400500000000 ] - [ 0.0000413000000000, -0.0001143000000000, 0.0008123400000000 ] - [ -0.0000590500000000, 0.0000000000000000, 0.0009199900000000 ] - [ -0.0002181000000000, 0.0000000000000000, 0.0007755500000000 ] - [ 0.0000621400000000, -0.0001070200000000, 0.0008870900000000 ] - [ 0.0000887200000000, 0.0000000000000000, 0.0008119900000000 ] - [ 0.0000386100000000, 0.0000672700000000, 0.0007909000000000 ] - [ -0.0002294300000000, 0.0000000000000000, 0.0014366300000000 ] - [ 0.0000621400000000, 0.0001070200000000, 0.0008870900000000 ] - [ -0.0001646100000000, 0.0000000000000000, 0.0008503500000000 ] - [ 0.0000386100000000, -0.0000672700000000, 0.0007909000000000 ] - [ -0.0002354700000000, 0.0000000000000000, 0.0009127600000000 ] - [ -0.0002274100000000, -0.0004007300000000, 0.0011076300000000 ] - [ -0.0001016300000000, 0.0000000000000000, 0.0010796000000000 ] - [ -0.0000189500000000, 0.0001419500000000, 0.0007753700000000 ] - [ 0.0014197700000000, 0.0000000000000000, -0.0019350300000000 ] - [ 0.0002750000000000, 0.0000290300000000, 0.0001946200000000 ] - [ 0.0006073100000000, 0.0000000000000000, 0.0015985000000000 ] - [ 0.0002690100000000, -0.0002129800000000, 0.0008994200000000 ] - [ -0.0010808300000000, 0.0000000000000000, -0.0010447000000000 ] - [ 0.0003183600000000, -0.0008609900000000, -0.0058219900000000 ] - [ 0.0003905400000000, 0.0000000000000000, 0.0015757300000000 ] - [ 0.0034804800000000, -0.0050790400000000, 0.0065333200000000 ] - [ -0.0076971400000000, 0.0000000000000000, 0.0072372600000000 ] - [ -0.0004257900000000, -0.0003763900000000, -0.0037308500000000 ] - [ 0.0136163000000000, 0.0000000000000000, -0.0899282800000000 ] - [ 0.0034804800000000, 0.0050790400000000, 0.0065333200000000 ] - [ -0.0014185900000000, 0.0000000000000000, -0.0007551900000000 ] - [ -0.0001236900000000, -0.0003615700000000, 0.0013711300000000 ] - [ 0.0005714800000000, 0.0000000000000000, -0.0082643900000000 ] - [ -0.0007085400000000, 0.0002460400000000, -0.0012763900000000 ] - [ -0.0000845900000000, 0.0000000000000000, 0.0014780700000000 ] - [ -0.0001236900000000, 0.0003615700000000, 0.0013711300000000 ] - [ 0.0009180000000000, 0.0000000000000000, 0.0015016500000000 ] - [ 0.0037112500000000, 0.0043179600000000, 0.0047909800000000 ] - [ -0.0000334500000000, 0.0000000000000000, 0.0007492600000000 ] - [ -0.0003387300000000, 0.0000000000000000, 0.0002667800000000 ] - [ -0.0000698200000000, -0.0000404800000000, 0.0008266100000000 ] - [ -0.0000698200000000, 0.0000404800000000, 0.0008266100000000 ] - [ 0.0000413000000000, 0.0001143000000000, 0.0008123400000000 ] - [ -0.0001536800000000, 0.0000000000000000, 0.0012888700000000 ] - [ 0.0000806100000000, -0.0001058600000000, 0.0009223700000000 ] - [ -0.0001827600000000, 0.0000000000000000, 0.0009214700000000 ] - [ -0.0001990100000000, 0.0000000000000000, 0.0008067300000000 ] - [ 0.0000281300000000, -0.0000926800000000, 0.0008139200000000 ] - [ 0.0000129100000000, 0.0000000000000000, 0.0008131700000000 ] - [ 0.0000293800000000, 0.0000678700000000, 0.0007901000000000 ] - [ -0.0002137100000000, 0.0000000000000000, 0.0010901500000000 ] - [ 0.0000281300000000, 0.0000926800000000, 0.0008139200000000 ] - [ -0.0002357200000000, 0.0000000000000000, 0.0008628100000000 ] - [ 0.0000293800000000, -0.0000678700000000, 0.0007901000000000 ] - [ -0.0000965000000000, 0.0000000000000000, 0.0006309200000000 ] - [ 0.0002750000000000, -0.0000290300000000, 0.0001946200000000 ] - [ -0.0000357300000000, 0.0000000000000000, 0.0010853800000000 ] - [ 0.0002690100000000, 0.0002129800000000, 0.0008994200000000 ] - [ -0.0050490100000000, 0.0000000000000000, 0.0052321300000000 ] - [ -0.0002274100000000, 0.0004007300000000, 0.0011076300000000 ] - [ -0.0010450900000000, 0.0000000000000000, 0.0010534600000000 ] - [ -0.0000189500000000, -0.0001419500000000, 0.0007753700000000 ] - [ 0.0019700600000000, 0.0000000000000000, -0.0008814000000000 ] - [ -0.0004257900000000, 0.0003763900000000, -0.0037308500000000 ] - [ -0.0003845000000000, 0.0000000000000000, 0.0002799600000000 ] - [ -0.0005874400000000, 0.0001517800000000, -0.0010639400000000 ] - [ 0.0014908200000000, 0.0000000000000000, -0.0019545600000000 ] - [ 0.0003183600000000, 0.0008609900000000, -0.0058219900000000 ] - [ 0.0004536600000000, 0.0000000000000000, -0.0018039600000000 ] - [ -0.0005874400000000, -0.0001517800000000, -0.0010639400000000 ] - [ 0.0019419000000000, 0.0000000000000000, -0.0015072900000000 ] - [ 0.0001828000000000, 0.0000642600000000, 0.0000941300000000 ] - [ 0.0001479200000000, 0.0000000000000000, -0.0026032500000000 ] - [ 0.0037112500000000, -0.0043179600000000, 0.0047909800000000 ] - [ -0.0000893500000000, 0.0000000000000000, 0.0010577500000000 ] - [ 0.0001828000000000, -0.0000642600000000, 0.0000941300000000 ] - [ -0.0010657800000000, 0.0000000000000000, 0.0010257300000000 ] - [ -0.0007085400000000, -0.0002460400000000, -0.0012763900000000 ] - [ -0.0000486600000000, 0.0000000000000000, 0.0011692300000000 ] - [ 0.0005065100000000, 0.0000000000000000, 0.0016448000000000 ] - [ 0.0003257200000000, 0.0000436300000000, 0.0009684900000000 ] - [ 0.0003257200000000, -0.0000436300000000, 0.0009684900000000 ]- atom: 87 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0001807400000000, 0.0000000000000000, 0.0007791300000000 ] - [ -0.0001818000000000, 0.0000000000000000, 0.0008485000000000 ] - [ -0.0000159700000000, 0.0000000000000000, 0.0008816500000000 ] - [ -0.0000694600000000, 0.0000000000000000, 0.0010110700000000 ] - [ -0.0002224900000000, 0.0000000000000000, 0.0031969300000000 ] - [ -0.0001424600000000, 0.0000000000000000, 0.0011392600000000 ] - [ 0.0021842900000000, 0.0000000000000000, -0.0047880300000000 ] - [ -0.0049563000000000, 0.0000000000000000, -0.0142910900000000 ] - [ -0.0005531200000000, 0.0000000000000000, 0.0009322500000000 ] - [ -0.0018438200000000, 0.0000000000000000, 0.0020492300000000 ] - [ -0.0001390600000000, 0.0000000000000000, 0.0008839600000000 ] - [ -0.0001457200000000, 0.0000000000000000, 0.0008045100000000 ] - [ -0.0000876100000000, 0.0000000000000000, 0.0008002500000000 ] - [ -0.0000579900000000, 0.0000000000000000, 0.0009811100000000 ] - [ 0.0001321100000000, 0.0000000000000000, -0.0001455900000000 ] - [ 0.0005150600000000, 0.0000000000000000, 0.0008782800000000 ] - [ -0.0018002400000000, 0.0000000000000000, -0.0036352400000000 ] - [ -0.0003454600000000, 0.0000000000000000, -0.0024243900000000 ] - [ 0.0004894800000000, 0.0000000000000000, 0.0005836600000000 ] - [ -0.0000324200000000, 0.0000000000000000, -0.0002862100000000 ] - [ 0.0000703300000000, 0.0000000000000000, 0.0012172300000000 ] - [ 0.0002146300000000, 0.0000000000000000, 0.0016058800000000 ] - [ 0.0001521200000000, -0.0001004400000000, 0.0013319800000000 ] - [ -0.0001755100000000, 0.0000000000000000, 0.0014878500000000 ] - [ 0.0001521200000000, 0.0001004400000000, 0.0013319800000000 ] - [ 0.0001111000000000, 0.0000181800000000, 0.0012348500000000 ] - [ -0.0023853800000000, 0.0000000000000000, -0.0041427400000000 ] - [ -0.0004619300000000, 0.0000000000000000, 0.0019726600000000 ] - [ -0.0001009500000000, -0.0000079200000000, 0.0013692600000000 ] - [ 0.0005848500000000, 0.0000000000000000, -0.0033708900000000 ] - [ -0.0002143100000000, 0.0000000000000000, 0.0013936400000000 ] - [ -0.0017530900000000, -0.0017627300000000, 0.0008490900000000 ] - [ 0.0030707300000000, 0.0001638600000000, 0.0009817200000000 ] - [ 0.0000208900000000, 0.0000000000000000, 0.0016986400000000 ] - [ 0.0069717500000000, -0.0186359700000000, -0.0268347000000000 ] - [ -0.0006446900000000, 0.0000000000000000, 0.0042505800000000 ] - [ 0.0069717500000000, 0.0186359700000000, -0.0268347000000000 ] - [ -0.0002021000000000, 0.0002810600000000, 0.0009205800000000 ] - [ 0.0001982800000000, 0.0000341800000000, 0.0018330500000000 ] - [ -0.0012767100000000, 0.0000000000000000, -0.0006043900000000 ] - [ -0.0000221500000000, 0.0000000000000000, 0.0014688600000000 ] - [ 0.0000207800000000, 0.0000000000000000, 0.0013668600000000 ] - [ 0.0000862800000000, -0.0000957600000000, 0.0012882300000000 ] - [ -0.0002331800000000, 0.0000000000000000, 0.0014294900000000 ] - [ 0.0000862800000000, 0.0000957600000000, 0.0012882300000000 ] - [ -0.0001009500000000, 0.0000079200000000, 0.0013692600000000 ] - [ 0.0002066400000000, 0.0000000000000000, -0.0028633500000000 ] - [ -0.0002900900000000, 0.0000000000000000, 0.0009400500000000 ] - [ 0.0001111000000000, -0.0000181800000000, 0.0012348500000000 ] - [ 0.0064119800000000, 0.0000000000000000, -0.0121856700000000 ] - [ -0.0002078700000000, 0.0000000000000000, 0.0014054200000000 ] - [ 0.0030707300000000, -0.0001638600000000, 0.0009817200000000 ] - [ -0.0017530900000000, 0.0017627300000000, 0.0008490900000000 ] - [ -0.0002689400000000, 0.0000000000000000, 0.0010665800000000 ] - [ 0.0003614100000000, -0.0001245900000000, -0.0034549200000000 ] - [ 0.0013338500000000, 0.0000000000000000, -0.0000785400000000 ] - [ 0.0003614100000000, 0.0001245900000000, -0.0034549200000000 ] - [ 0.0001982800000000, -0.0000341800000000, 0.0018330500000000 ] - [ -0.0002021000000000, -0.0002810600000000, 0.0009205800000000 ] - [ 0.0057256700000000, 0.0000000000000000, 0.0034843500000000 ] - [ -0.0001309900000000, 0.0001697500000000, -0.0009347000000000 ] - [ -0.0000619100000000, 0.0000000000000000, -0.0010484500000000 ] - [ -0.0000915000000000, -0.0001613500000000, -0.0008242900000000 ] - [ 0.0000038800000000, 0.0000000000000000, -0.0009407100000000 ] - [ 0.0000650900000000, 0.0000000000000000, -0.0008524500000000 ] - [ -0.0001872600000000, 0.0000901100000000, -0.0007977200000000 ] - [ 0.0000557000000000, 0.0000000000000000, -0.0010509800000000 ] - [ -0.0001524800000000, -0.0000651800000000, -0.0008145200000000 ] - [ -0.0000720400000000, 0.0000000000000000, -0.0012744600000000 ] - [ -0.0001872600000000, -0.0000901100000000, -0.0007977200000000 ] - [ 0.0000765900000000, 0.0000000000000000, -0.0008284300000000 ] - [ -0.0001524800000000, 0.0000651800000000, -0.0008145200000000 ] - [ 0.0001727800000000, 0.0000000000000000, -0.0009738200000000 ] - [ 0.0002055900000000, 0.0002807800000000, -0.0012417600000000 ] - [ 0.0000570400000000, 0.0000000000000000, -0.0011791000000000 ] - [ 0.0000351300000000, 0.0000821400000000, -0.0007419000000000 ] - [ -0.0012811000000000, 0.0000000000000000, 0.0019482900000000 ] - [ -0.0002919400000000, 0.0000910200000000, -0.0003323000000000 ] - [ -0.0006362400000000, 0.0000000000000000, -0.0015360600000000 ] - [ -0.0002511000000000, -0.0000110900000000, -0.0008643400000000 ] - [ 0.0009032800000000, 0.0000000000000000, 0.0010728300000000 ] - [ -0.0004060200000000, 0.0009119100000000, 0.0057500800000000 ] - [ -0.0005472100000000, 0.0000000000000000, -0.0017301500000000 ] - [ -0.0033679800000000, 0.0050229000000000, -0.0062522600000000 ] - [ 0.0080819600000000, 0.0000000000000000, -0.0073920200000000 ] - [ 0.0004037300000000, 0.0003692100000000, 0.0036692100000000 ] - [ -0.0156894100000000, 0.0000000000000000, 0.0902156700000000 ] - [ -0.0033679800000000, -0.0050229000000000, -0.0062522600000000 ] - [ 0.0014936400000000, 0.0000000000000000, 0.0008036000000000 ] - [ 0.0001627300000000, 0.0004002000000000, -0.0013722000000000 ] - [ -0.0005249600000000, 0.0000000000000000, 0.0082963700000000 ] - [ 0.0009329300000000, -0.0001312500000000, 0.0012418400000000 ] - [ 0.0000501100000000, 0.0000000000000000, -0.0012267600000000 ] - [ 0.0001627300000000, -0.0004002000000000, -0.0013722000000000 ] - [ -0.0005953800000000, 0.0000000000000000, -0.0015848400000000 ] - [ -0.0035309900000000, -0.0045013500000000, -0.0048902200000000 ] - [ 0.0000122800000000, 0.0000000000000000, -0.0005245600000000 ] - [ 0.0003767800000000, 0.0000000000000000, -0.0002829100000000 ] - [ 0.0001682400000000, 0.0000927400000000, -0.0007683600000000 ] - [ 0.0001682400000000, -0.0000927400000000, -0.0007683600000000 ] - [ -0.0000915000000000, 0.0001613500000000, -0.0008242900000000 ] - [ -0.0000419500000000, 0.0000000000000000, -0.0009968800000000 ] - [ -0.0001309900000000, -0.0001697500000000, -0.0009347000000000 ] - [ 0.0001281900000000, 0.0000000000000000, -0.0009422100000000 ] - [ 0.0000458400000000, 0.0000000000000000, -0.0008837000000000 ] - [ -0.0001529700000000, 0.0000761700000000, -0.0007249600000000 ] - [ 0.0001318700000000, 0.0000000000000000, -0.0010521800000000 ] - [ -0.0001431800000000, -0.0000657300000000, -0.0008136600000000 ] - [ -0.0000866400000000, 0.0000000000000000, -0.0009298800000000 ] - [ -0.0001529700000000, -0.0000761700000000, -0.0007249600000000 ] - [ 0.0001474200000000, 0.0000000000000000, -0.0008406300000000 ] - [ -0.0001431800000000, 0.0000657300000000, -0.0008136600000000 ] - [ 0.0000353500000000, 0.0000000000000000, -0.0006935000000000 ] - [ -0.0002919400000000, -0.0000910200000000, -0.0003323000000000 ] - [ -0.0000091900000000, 0.0000000000000000, -0.0011848300000000 ] - [ -0.0002511000000000, 0.0000110900000000, -0.0008643400000000 ] - [ 0.0051348200000000, 0.0000000000000000, -0.0051744900000000 ] - [ 0.0002055900000000, -0.0002807800000000, -0.0012417600000000 ] - [ 0.0010100200000000, 0.0000000000000000, -0.0009991700000000 ] - [ 0.0000351300000000, -0.0000821400000000, -0.0007419000000000 ] - [ -0.0021301000000000, 0.0000000000000000, 0.0009090900000000 ] - [ 0.0004037300000000, -0.0003692100000000, 0.0036692100000000 ] - [ 0.0002253200000000, 0.0000000000000000, -0.0004442600000000 ] - [ 0.0006599600000000, -0.0001475600000000, 0.0012601900000000 ] - [ -0.0012354200000000, 0.0000000000000000, 0.0019122700000000 ] - [ -0.0004060200000000, -0.0009119100000000, 0.0057500800000000 ] - [ -0.0004232600000000, 0.0000000000000000, 0.0018862400000000 ] - [ 0.0006599600000000, 0.0001475600000000, 0.0012601900000000 ] - [ -0.0018692700000000, 0.0000000000000000, 0.0015385500000000 ] - [ -0.0001454900000000, -0.0000279200000000, -0.0000896500000000 ] - [ -0.0000956500000000, 0.0000000000000000, 0.0026376000000000 ] - [ -0.0035309900000000, 0.0045013500000000, -0.0048902200000000 ] - [ 0.0000548600000000, 0.0000000000000000, -0.0008045500000000 ] - [ -0.0001454900000000, 0.0000279200000000, -0.0000896500000000 ] - [ 0.0013981500000000, 0.0000000000000000, -0.0011070000000000 ] - [ 0.0009329300000000, 0.0001312500000000, 0.0012418400000000 ] - [ 0.0000277400000000, 0.0000000000000000, -0.0009465500000000 ] - [ -0.0004715700000000, 0.0000000000000000, -0.0016696000000000 ] - [ -0.0002289500000000, 0.0000083100000000, -0.0009111800000000 ] - [ -0.0002289500000000, -0.0000083100000000, -0.0009111800000000 ]- atom: 89 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0009167700000000, 0.0000000000000000, 0.0000527500000000 ] - [ 0.0000610800000000, 0.0000000000000000, 0.0000337200000000 ] - [ -0.0000368100000000, 0.0000000000000000, 0.0001439600000000 ] - [ -0.0001221600000000, 0.0000000000000000, 0.0002160000000000 ] - [ -0.0001201000000000, 0.0000000000000000, 0.0004255400000000 ] - [ -0.0000537900000000, 0.0000000000000000, 0.0002250300000000 ] - [ -0.0049721800000000, 0.0000000000000000, 0.0018868900000000 ] - [ 0.0019937800000000, 0.0000000000000000, -0.0005150400000000 ] - [ 0.0032929600000000, 0.0000000000000000, 0.0000914200000000 ] - [ 0.0166585000000000, 0.0000000000000000, 0.0038522900000000 ] - [ 0.0009228000000000, 0.0000000000000000, -0.0000855300000000 ] - [ -0.0002225900000000, 0.0000000000000000, 0.0002528900000000 ] - [ -0.0000850500000000, 0.0000000000000000, 0.0001456100000000 ] - [ -0.0000637200000000, 0.0000000000000000, 0.0002260500000000 ] - [ -0.0000996100000000, 0.0000000000000000, -0.0001826600000000 ] - [ 0.0001352100000000, 0.0000000000000000, 0.0001012800000000 ] - [ 0.0032522700000000, 0.0000000000000000, -0.0030397400000000 ] - [ -0.0015749200000000, 0.0000000000000000, -0.0002620800000000 ] - [ -0.0017561600000000, 0.0000000000000000, 0.0001118600000000 ] - [ -0.0026879200000000, 0.0000000000000000, 0.0033542900000000 ] - [ -0.0003199200000000, 0.0000000000000000, 0.0006290000000000 ] - [ -0.0001719500000000, 0.0000000000000000, -0.0004526500000000 ] - [ -0.0001153700000000, -0.0001629700000000, 0.0001072800000000 ] - [ -0.0001458000000000, 0.0000000000000000, 0.0002751500000000 ] - [ -0.0001153700000000, 0.0001629700000000, 0.0001072800000000 ] - [ 0.0000088000000000, 0.0000886100000000, 0.0002049600000000 ] - [ 0.0008973900000000, 0.0000000000000000, 0.0045187000000000 ] - [ 0.0000274200000000, 0.0000000000000000, 0.0004615700000000 ] - [ -0.0000618700000000, -0.0000781800000000, 0.0002573000000000 ] - [ 0.0002743200000000, 0.0000000000000000, -0.0042837500000000 ] - [ -0.0002481700000000, 0.0000000000000000, 0.0003036300000000 ] - [ -0.0006481400000000, 0.0002122800000000, 0.0004141600000000 ] - [ 0.0008527300000000, 0.0000080500000000, -0.0000273200000000 ] - [ -0.0000117600000000, 0.0000000000000000, 0.0003335000000000 ] - [ 0.0165726200000000, -0.0104549700000000, -0.0085340500000000 ] - [ 0.0048618000000000, 0.0000000000000000, -0.0004359400000000 ] - [ 0.0165726200000000, 0.0104549700000000, -0.0085340500000000 ] - [ -0.0012345700000000, -0.0024808300000000, 0.0022979900000000 ] - [ -0.0001289900000000, -0.0003028100000000, -0.0019321000000000 ] - [ 0.0833428800000000, 0.0000000000000000, -0.0213980500000000 ] - [ 0.0004141400000000, 0.0000000000000000, -0.0003490700000000 ] - [ 0.0003986300000000, 0.0000000000000000, 0.0012458300000000 ] - [ 0.0001718200000000, -0.0001523600000000, 0.0003651100000000 ] - [ -0.0001819700000000, 0.0000000000000000, 0.0003608300000000 ] - [ 0.0001718200000000, 0.0001523600000000, 0.0003651100000000 ] - [ -0.0000618700000000, 0.0000781800000000, 0.0002573000000000 ] - [ -0.0003517800000000, 0.0000000000000000, -0.0014948700000000 ] - [ -0.0001307600000000, 0.0000000000000000, 0.0001178600000000 ] - [ 0.0000088000000000, -0.0000886100000000, 0.0002049600000000 ] - [ -0.0016971400000000, 0.0000000000000000, 0.0013995500000000 ] - [ -0.0001074200000000, 0.0000000000000000, 0.0002218600000000 ] - [ 0.0008527300000000, -0.0000080500000000, -0.0000273200000000 ] - [ -0.0006481400000000, -0.0002122800000000, 0.0004141600000000 ] - [ -0.0001238200000000, 0.0000000000000000, 0.0002856500000000 ] - [ -0.0065168600000000, 0.0000543600000000, -0.0031387100000000 ] - [ -0.0046446600000000, 0.0000000000000000, -0.0000218100000000 ] - [ -0.0065168600000000, -0.0000543600000000, -0.0031387100000000 ] - [ -0.0001289900000000, 0.0003028100000000, -0.0019321000000000 ] - [ -0.0012345700000000, 0.0024808300000000, 0.0022979900000000 ] - [ -0.0060500000000000, 0.0000000000000000, -0.0037364400000000 ] - [ -0.0000224400000000, 0.0001497700000000, 0.0001194500000000 ] - [ -0.0000770500000000, 0.0000000000000000, 0.0000166100000000 ] - [ -0.0000396500000000, -0.0000887400000000, -0.0004275100000000 ] - [ 0.0002940600000000, 0.0000000000000000, -0.0000851200000000 ] - [ -0.0000580100000000, 0.0000000000000000, -0.0002518400000000 ] - [ -0.0000790100000000, 0.0000018500000000, -0.0000983600000000 ] - [ 0.0003069600000000, 0.0000000000000000, -0.0002861700000000 ] - [ -0.0000094500000000, -0.0000137700000000, -0.0001625200000000 ] - [ -0.0001477400000000, 0.0000000000000000, -0.0001823100000000 ] - [ -0.0000790100000000, -0.0000018500000000, -0.0000983600000000 ] - [ -0.0000484200000000, 0.0000000000000000, -0.0001277300000000 ] - [ -0.0000094500000000, 0.0000137700000000, -0.0001625200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002239200000000 ] - [ -0.0000222800000000, -0.0000692000000000, -0.0003692000000000 ] - [ 0.0000058100000000, 0.0000000000000000, -0.0002735700000000 ] - [ 0.0000259200000000, 0.0000952200000000, -0.0001360300000000 ] - [ -0.0002546900000000, 0.0000000000000000, 0.0007991500000000 ] - [ -0.0000145300000000, 0.0000688000000000, -0.0000214700000000 ] - [ -0.0002149300000000, 0.0000000000000000, -0.0001424300000000 ] - [ -0.0000545500000000, -0.0000835000000000, -0.0001317900000000 ] - [ 0.0012050700000000, 0.0000000000000000, -0.0012098000000000 ] - [ -0.0033642700000000, 0.0016244600000000, 0.0023576500000000 ] - [ -0.0002907000000000, 0.0000000000000000, -0.0004369300000000 ] - [ -0.0009649800000000, -0.0005515400000000, -0.0007001600000000 ] - [ -0.0057895900000000, 0.0000000000000000, 0.0014318900000000 ] - [ 0.0023116100000000, -0.0000409700000000, -0.0003129100000000 ] - [ -0.0009245200000000, 0.0000000000000000, -0.0013019600000000 ] - [ -0.0009649800000000, 0.0005515400000000, -0.0007001600000000 ] - [ -0.1649398300000000, 0.0000000000000000, 0.0408923600000000 ] - [ -0.0019732200000000, 0.0013315800000000, 0.0031557200000000 ] - [ 0.0032794000000000, 0.0000000000000000, -0.0120171000000000 ] - [ 0.0093477700000000, 0.0066614100000000, 0.0020863700000000 ] - [ -0.0003641300000000, 0.0000000000000000, 0.0008591600000000 ] - [ -0.0019732200000000, -0.0013315800000000, 0.0031557200000000 ] - [ 0.0020136700000000, 0.0000000000000000, 0.0017214700000000 ] - [ 0.0132958300000000, -0.0096993000000000, 0.0013947500000000 ] - [ 0.0009676400000000, 0.0000000000000000, -0.0013930700000000 ] - [ 0.0025080700000000, 0.0000000000000000, -0.0096581300000000 ] - [ -0.0010622900000000, -0.0005080700000000, -0.0009379500000000 ] - [ -0.0010622900000000, 0.0005080700000000, -0.0009379500000000 ] - [ -0.0000396500000000, 0.0000887400000000, -0.0004275100000000 ] - [ -0.0001085600000000, 0.0000000000000000, -0.0001452000000000 ] - [ -0.0000224400000000, -0.0001497700000000, 0.0001194500000000 ] - [ -0.0003615100000000, 0.0000000000000000, -0.0002490000000000 ] - [ -0.0000352500000000, 0.0000000000000000, -0.0001393300000000 ] - [ -0.0000840200000000, 0.0000043100000000, -0.0001078300000000 ] - [ -0.0001309400000000, 0.0000000000000000, -0.0003819100000000 ] - [ -0.0001416400000000, -0.0000182500000000, -0.0001627500000000 ] - [ -0.0001405200000000, 0.0000000000000000, -0.0000657800000000 ] - [ -0.0000840200000000, -0.0000043100000000, -0.0001078300000000 ] - [ 0.0000073900000000, 0.0000000000000000, -0.0001578200000000 ] - [ -0.0001416400000000, 0.0000182500000000, -0.0001627500000000 ] - [ 0.0000094000000000, 0.0000000000000000, -0.0001531400000000 ] - [ -0.0000145300000000, -0.0000688000000000, -0.0000214700000000 ] - [ -0.0000307900000000, 0.0000000000000000, -0.0002530200000000 ] - [ -0.0000545500000000, 0.0000835000000000, -0.0001317900000000 ] - [ 0.0004082800000000, 0.0000000000000000, -0.0004955800000000 ] - [ -0.0000222800000000, 0.0000692000000000, -0.0003692000000000 ] - [ 0.0001865200000000, 0.0000000000000000, -0.0000780600000000 ] - [ 0.0000259200000000, -0.0000952200000000, -0.0001360300000000 ] - [ -0.0005895500000000, 0.0000000000000000, 0.0007240700000000 ] - [ 0.0023116100000000, 0.0000409700000000, -0.0003129100000000 ] - [ 0.0001649100000000, 0.0000000000000000, -0.0002931300000000 ] - [ 0.0006736600000000, 0.0001835900000000, 0.0005367400000000 ] - [ 0.0041881900000000, 0.0000000000000000, 0.0001712700000000 ] - [ -0.0033642700000000, -0.0016244600000000, 0.0023576500000000 ] - [ 0.0011682100000000, 0.0000000000000000, 0.0018056600000000 ] - [ 0.0006736600000000, -0.0001835900000000, 0.0005367400000000 ] - [ 0.0080685100000000, 0.0000000000000000, -0.0007081500000000 ] - [ 0.0020086700000000, 0.0002111700000000, -0.0005415000000000 ] - [ 0.0011267000000000, 0.0000000000000000, 0.0028442900000000 ] - [ 0.0132958300000000, 0.0096993000000000, 0.0013947500000000 ] - [ 0.0003934300000000, 0.0000000000000000, -0.0004863600000000 ] - [ 0.0020086700000000, -0.0002111700000000, -0.0005415000000000 ] - [ -0.0013296800000000, 0.0000000000000000, -0.0008044200000000 ] - [ 0.0093477700000000, -0.0066614100000000, 0.0020863700000000 ] - [ -0.0002685600000000, 0.0000000000000000, 0.0009338200000000 ] - [ 0.0011272500000000, 0.0000000000000000, 0.0027108500000000 ] - [ 0.0007883200000000, 0.0001707100000000, 0.0004823500000000 ] - [ 0.0007883200000000, -0.0001707100000000, 0.0004823500000000 ]- atom: 89 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0009788700000000, 0.0000000000000000, -0.0002043200000000 ] - [ -0.0002144800000000, 0.0000000000000000, -0.0000657800000000 ] - [ -0.0000817200000000, 0.0000000000000000, -0.0001598600000000 ] - [ -0.0000763300000000, 0.0000000000000000, -0.0001259700000000 ] - [ 0.0001024900000000, 0.0000000000000000, -0.0004531200000000 ] - [ 0.0001239100000000, 0.0000000000000000, -0.0002298000000000 ] - [ 0.0050087600000000, 0.0000000000000000, -0.0018696200000000 ] - [ -0.0020043900000000, 0.0000000000000000, 0.0004712900000000 ] - [ -0.0033206000000000, 0.0000000000000000, -0.0001747800000000 ] - [ -0.0174321500000000, 0.0000000000000000, -0.0047767700000000 ] - [ -0.0008533000000000, 0.0000000000000000, -0.0000697800000000 ] - [ 0.0000681600000000, 0.0000000000000000, -0.0002839400000000 ] - [ -0.0000322000000000, 0.0000000000000000, -0.0001617000000000 ] - [ -0.0001343000000000, 0.0000000000000000, -0.0001362400000000 ] - [ 0.0000902000000000, 0.0000000000000000, 0.0001528700000000 ] - [ -0.0000646100000000, 0.0000000000000000, -0.0001057400000000 ] - [ -0.0031556200000000, 0.0000000000000000, 0.0030419900000000 ] - [ 0.0015749500000000, 0.0000000000000000, 0.0001965100000000 ] - [ 0.0017045300000000, 0.0000000000000000, -0.0001820700000000 ] - [ 0.0029255300000000, 0.0000000000000000, -0.0033760800000000 ] - [ 0.0004412600000000, 0.0000000000000000, -0.0006587800000000 ] - [ 0.0003292600000000, 0.0000000000000000, 0.0004473600000000 ] - [ 0.0001488700000000, -0.0001367000000000, -0.0001294800000000 ] - [ -0.0001652800000000, 0.0000000000000000, -0.0001471300000000 ] - [ 0.0001488700000000, 0.0001367000000000, -0.0001294800000000 ] - [ -0.0000780400000000, 0.0000917000000000, -0.0002217400000000 ] - [ -0.0009077600000000, 0.0000000000000000, -0.0044600400000000 ] - [ -0.0001179500000000, 0.0000000000000000, -0.0004035600000000 ] - [ -0.0000082100000000, -0.0001023200000000, -0.0002741500000000 ] - [ -0.0001266300000000, 0.0000000000000000, 0.0041452300000000 ] - [ -0.0000946300000000, 0.0000000000000000, -0.0002906900000000 ] - [ 0.0006909300000000, -0.0002946100000000, -0.0004368100000000 ] - [ -0.0008079000000000, 0.0000749900000000, 0.0000117000000000 ] - [ -0.0001163800000000, 0.0000000000000000, -0.0002690500000000 ] - [ -0.0162601100000000, 0.0106563600000000, 0.0086740800000000 ] - [ -0.0049108100000000, 0.0000000000000000, 0.0003837300000000 ] - [ -0.0162601100000000, -0.0106563600000000, 0.0086740800000000 ] - [ 0.0012821200000000, 0.0024917700000000, -0.0023696700000000 ] - [ 0.0001604600000000, 0.0002787200000000, 0.0018460400000000 ] - [ -0.0784472300000000, 0.0000000000000000, 0.0196200900000000 ] - [ -0.0002909500000000, 0.0000000000000000, 0.0003132600000000 ] - [ -0.0002348300000000, 0.0000000000000000, -0.0012458500000000 ] - [ -0.0001361500000000, -0.0001472200000000, -0.0003866000000000 ] - [ -0.0001287400000000, 0.0000000000000000, -0.0002329100000000 ] - [ -0.0001361500000000, 0.0001472200000000, -0.0003866000000000 ] - [ -0.0000082100000000, 0.0001023200000000, -0.0002741500000000 ] - [ 0.0003618600000000, 0.0000000000000000, 0.0015269400000000 ] - [ 0.0000452100000000, 0.0000000000000000, -0.0000604600000000 ] - [ -0.0000780400000000, -0.0000917000000000, -0.0002217400000000 ] - [ 0.0017854100000000, 0.0000000000000000, -0.0015301800000000 ] - [ -0.0002347100000000, 0.0000000000000000, -0.0002096400000000 ] - [ -0.0008079000000000, -0.0000749900000000, 0.0000117000000000 ] - [ 0.0006909300000000, 0.0002946100000000, -0.0004368100000000 ] - [ -0.0000030000000000, 0.0000000000000000, -0.0002228700000000 ] - [ 0.0067666600000000, -0.0000898000000000, 0.0030656100000000 ] - [ 0.0045497100000000, 0.0000000000000000, 0.0000188500000000 ] - [ 0.0067666600000000, 0.0000898000000000, 0.0030656100000000 ] - [ 0.0001604600000000, -0.0002787200000000, 0.0018460400000000 ] - [ 0.0012821200000000, -0.0024917700000000, -0.0023696700000000 ] - [ 0.0061190400000000, 0.0000000000000000, 0.0037179800000000 ] - [ -0.0000271000000000, 0.0001165300000000, -0.0001274100000000 ] - [ -0.0001251300000000, 0.0000000000000000, 0.0002643100000000 ] - [ -0.0000104000000000, -0.0001783100000000, 0.0004167300000000 ] - [ -0.0003545400000000, 0.0000000000000000, 0.0000639300000000 ] - [ -0.0000922200000000, 0.0000000000000000, 0.0001725100000000 ] - [ -0.0000468600000000, -0.0000228000000000, 0.0001849200000000 ] - [ -0.0001564000000000, 0.0000000000000000, 0.0000447300000000 ] - [ -0.0001025100000000, 0.0000115800000000, 0.0001352000000000 ] - [ -0.0001551100000000, 0.0000000000000000, 0.0003373200000000 ] - [ -0.0000468600000000, 0.0000228000000000, 0.0001849200000000 ] - [ -0.0000429400000000, 0.0000000000000000, 0.0001464200000000 ] - [ -0.0001025100000000, -0.0000115800000000, 0.0001352000000000 ] - [ -0.0000588600000000, 0.0000000000000000, 0.0001590100000000 ] - [ 0.0000035500000000, -0.0000532800000000, 0.0002314200000000 ] - [ -0.0000503000000000, 0.0000000000000000, 0.0001717200000000 ] - [ -0.0000091800000000, 0.0001258800000000, 0.0001678900000000 ] - [ 0.0003777500000000, 0.0000000000000000, -0.0007801700000000 ] - [ -0.0000074300000000, 0.0000532300000000, -0.0001181900000000 ] - [ 0.0001808900000000, 0.0000000000000000, 0.0001916900000000 ] - [ 0.0000713100000000, -0.0001372800000000, 0.0001634200000000 ] - [ -0.0013713700000000, 0.0000000000000000, 0.0012470700000000 ] - [ 0.0032513700000000, -0.0016021600000000, -0.0024586200000000 ] - [ 0.0001316500000000, 0.0000000000000000, 0.0002745100000000 ] - [ 0.0010420700000000, 0.0005547800000000, 0.0009005500000000 ] - [ 0.0060266600000000, 0.0000000000000000, -0.0014626400000000 ] - [ -0.0023570900000000, 0.0000113600000000, 0.0002523700000000 ] - [ 0.0009706900000000, 0.0000000000000000, 0.0013699200000000 ] - [ 0.0010420700000000, -0.0005547800000000, 0.0009005500000000 ] - [ 0.1612375900000000, 0.0000000000000000, -0.0385340900000000 ] - [ 0.0020300100000000, -0.0012835100000000, -0.0031184200000000 ] - [ -0.0032044900000000, 0.0000000000000000, 0.0121182000000000 ] - [ -0.0090093000000000, -0.0064276500000000, -0.0020966600000000 ] - [ 0.0003330700000000, 0.0000000000000000, -0.0006043900000000 ] - [ 0.0020300100000000, 0.0012835100000000, -0.0031184200000000 ] - [ -0.0016811900000000, 0.0000000000000000, -0.0018052300000000 ] - [ -0.0131989900000000, 0.0097025800000000, -0.0014378600000000 ] - [ -0.0009859200000000, 0.0000000000000000, 0.0016066500000000 ] - [ -0.0024492400000000, 0.0000000000000000, 0.0095208900000000 ] - [ 0.0011530400000000, 0.0005572400000000, 0.0009904100000000 ] - [ 0.0011530400000000, -0.0005572400000000, 0.0009904100000000 ] - [ -0.0000104000000000, 0.0001783100000000, 0.0004167300000000 ] - [ -0.0000937400000000, 0.0000000000000000, 0.0004256000000000 ] - [ -0.0000271000000000, -0.0001165300000000, -0.0001274100000000 ] - [ 0.0002981800000000, 0.0000000000000000, 0.0002284500000000 ] - [ -0.0001146300000000, 0.0000000000000000, 0.0000605600000000 ] - [ -0.0000419300000000, -0.0000248000000000, 0.0001941600000000 ] - [ 0.0002796000000000, 0.0000000000000000, 0.0001409900000000 ] - [ 0.0000291000000000, 0.0000164200000000, 0.0001354800000000 ] - [ -0.0001625000000000, 0.0000000000000000, 0.0002211300000000 ] - [ -0.0000419300000000, 0.0000248000000000, 0.0001941600000000 ] - [ -0.0000991600000000, 0.0000000000000000, 0.0001767500000000 ] - [ 0.0000291000000000, -0.0000164200000000, 0.0001354800000000 ] - [ -0.0000691600000000, 0.0000000000000000, 0.0000887600000000 ] - [ -0.0000074300000000, -0.0000532300000000, -0.0001181900000000 ] - [ -0.0000140000000000, 0.0000000000000000, 0.0001508600000000 ] - [ 0.0000713100000000, 0.0001372800000000, 0.0001634200000000 ] - [ -0.0002774400000000, 0.0000000000000000, 0.0005236200000000 ] - [ 0.0000035500000000, 0.0000532800000000, 0.0002314200000000 ] - [ -0.0002210400000000, 0.0000000000000000, 0.0001302600000000 ] - [ -0.0000091800000000, -0.0001258800000000, 0.0001678900000000 ] - [ 0.0004128600000000, 0.0000000000000000, -0.0006959900000000 ] - [ -0.0023570900000000, -0.0000113600000000, 0.0002523700000000 ] - [ -0.0003232100000000, 0.0000000000000000, 0.0001339900000000 ] - [ -0.0005999500000000, -0.0001802100000000, -0.0003275900000000 ] - [ -0.0039129100000000, 0.0000000000000000, -0.0002262000000000 ] - [ 0.0032513700000000, 0.0016021600000000, -0.0024586200000000 ] - [ -0.0011568500000000, 0.0000000000000000, -0.0017034000000000 ] - [ -0.0005999500000000, 0.0001802100000000, -0.0003275900000000 ] - [ -0.0079836400000000, 0.0000000000000000, 0.0007331200000000 ] - [ -0.0019645000000000, -0.0001725300000000, 0.0005350100000000 ] - [ -0.0010858700000000, 0.0000000000000000, -0.0027780300000000 ] - [ -0.0131989900000000, -0.0097025800000000, -0.0014378600000000 ] - [ -0.0004262800000000, 0.0000000000000000, 0.0007316600000000 ] - [ -0.0019645000000000, 0.0001725300000000, 0.0005350100000000 ] - [ 0.0016351800000000, 0.0000000000000000, 0.0007246000000000 ] - [ -0.0090093000000000, 0.0064276500000000, -0.0020966600000000 ] - [ 0.0002493300000000, 0.0000000000000000, -0.0007041600000000 ] - [ -0.0010805300000000, 0.0000000000000000, -0.0027437600000000 ] - [ -0.0006865000000000, -0.0001178100000000, -0.0004270600000000 ] - [ -0.0006865000000000, 0.0001178100000000, -0.0004270600000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000345200000000, -0.0000095300000000, -0.0000779500000000 ] - [ -0.0000784300000000, 0.0000108000000000, -0.0000159900000000 ] - [ -0.0000587400000000, -0.0000004200000000, -0.0000091900000000 ] - [ -0.0000991100000000, 0.0000011000000000, 0.0000437000000000 ] - [ -0.0000072800000000, -0.0000897800000000, -0.0000151100000000 ] - [ 0.0000353300000000, -0.0000077000000000, -0.0000034000000000 ] - [ 0.0000186900000000, 0.0023646800000000, 0.0000157300000000 ] - [ 0.0000022600000000, -0.0023121700000000, -0.0000322200000000 ] - [ -0.0000302700000000, 0.0012167400000000, -0.0000424700000000 ] - [ 0.0001516500000000, 0.0079272900000000, 0.0000110200000000 ] - [ 0.0000323900000000, -0.0000823500000000, -0.0000775300000000 ] - [ -0.0000781900000000, 0.0000071000000000, -0.0000164100000000 ] - [ -0.0000583300000000, -0.0000002600000000, -0.0000090700000000 ] - [ -0.0000992100000000, 0.0000006900000000, 0.0000435100000000 ] - [ -0.0000078500000000, -0.0000127600000000, -0.0000152700000000 ] - [ 0.0000351800000000, -0.0000128000000000, -0.0000041500000000 ] - [ 0.0000055600000000, -0.0038122100000000, 0.0000117100000000 ] - [ 0.0000001900000000, 0.0000868300000000, -0.0000301700000000 ] - [ -0.0000239700000000, -0.0000228200000000, -0.0000386500000000 ] - [ 0.0001206600000000, -0.0012757900000000, -0.0000243400000000 ] - [ 0.0000599900000000, -0.0000164000000000, -0.0000180500000000 ] - [ 0.0000824900000000, 0.0000449300000000, -0.0000066600000000 ] - [ 0.0000085000000000, -0.0001495000000000, -0.0000204300000000 ] - [ -0.0001560600000000, -0.0000006500000000, 0.0000623700000000 ] - [ 0.0000303100000000, 0.0001471800000000, -0.0000040600000000 ] - [ -0.0000340300000000, 0.0000898800000000, -0.0000087400000000 ] - [ 0.0000033800000000, -0.0000104500000000, 0.0000305300000000 ] - [ -0.0000447200000000, 0.0000260700000000, 0.0000261900000000 ] - [ -0.0000353200000000, -0.0000898400000000, -0.0000107700000000 ] - [ 0.0000517200000000, 0.0049587700000000, -0.0000603700000000 ] - [ -0.0001694200000000, -0.0000028100000000, 0.0000048700000000 ] - [ 0.0000291500000000, -0.0000420400000000, -0.0000225200000000 ] - [ -0.0000704700000000, 0.0000330200000000, -0.0002139300000000 ] - [ -0.0000623600000000, 0.0000013300000000, 0.0000304900000000 ] - [ -0.0107330100000000, 0.0277976500000000, 0.0200514300000000 ] - [ -0.0000382600000000, -0.0061957200000000, 0.0000359100000000 ] - [ 0.0102447400000000, 0.0265596700000000, -0.0188181100000000 ] - [ 0.0000051300000000, 0.0000846500000000, 0.0000076700000000 ] - [ 0.0012012900000000, 0.0000195800000000, 0.0007455800000000 ] - [ -0.0001696700000000, 0.0063857000000000, 0.0000737200000000 ] - [ 0.0000590600000000, -0.0000730900000000, -0.0000167900000000 ] - [ 0.0000811000000000, 0.0000617100000000, -0.0000086600000000 ] - [ 0.0000128500000000, -0.0001487600000000, -0.0000175100000000 ] - [ -0.0001560100000000, 0.0000001100000000, 0.0000622300000000 ] - [ 0.0000251400000000, 0.0001479400000000, -0.0000074600000000 ] - [ -0.0000347300000000, 0.0000900200000000, -0.0000095600000000 ] - [ -0.0000012500000000, -0.0002367300000000, 0.0000215700000000 ] - [ -0.0000455100000000, 0.0000305600000000, 0.0000257300000000 ] - [ -0.0000360200000000, -0.0000900500000000, -0.0000118100000000 ] - [ 0.0000525300000000, -0.0003282800000000, -0.0000629700000000 ] - [ -0.0001695000000000, -0.0000016700000000, 0.0000048800000000 ] - [ 0.0001182400000000, -0.0000482000000000, 0.0001890600000000 ] - [ 0.0000148700000000, 0.0000390500000000, 0.0000005800000000 ] - [ -0.0000624200000000, -0.0000005100000000, 0.0000307100000000 ] - [ 0.0011641500000000, 0.0001445700000000, 0.0008662200000000 ] - [ -0.0000366900000000, 0.0004012300000000, -0.0000057900000000 ] - [ -0.0008904900000000, 0.0001700900000000, -0.0008971500000000 ] - [ -0.0011472000000000, 0.0000475400000000, -0.0008305000000000 ] - [ 0.0000472500000000, 0.0000407500000000, -0.0000960600000000 ] - [ 0.0000514100000000, -0.0058074300000000, -0.0000125300000000 ] - [ -0.0000056800000000, 0.0001244700000000, 0.0000279700000000 ] - [ -0.0001001000000000, -0.0000061600000000, 0.0001437900000000 ] - [ -0.0000160400000000, -0.0001303700000000, -0.0000215800000000 ] - [ -0.0000289900000000, -0.0000061000000000, -0.0000105100000000 ] - [ -0.0000758200000000, 0.0000016600000000, -0.0000384200000000 ] - [ -0.0000624200000000, -0.0000106300000000, 0.0000460000000000 ] - [ 0.0000732700000000, 0.0000046500000000, -0.0001191800000000 ] - [ -0.0000574900000000, -0.0000001900000000, -0.0000100400000000 ] - [ -0.0001514400000000, -0.0000013700000000, 0.0000791900000000 ] - [ -0.0000626000000000, 0.0000101800000000, 0.0000430800000000 ] - [ -0.0000455300000000, -0.0000001800000000, 0.0000107100000000 ] - [ -0.0000560000000000, -0.0000001600000000, -0.0000143200000000 ] - [ -0.0000303900000000, 0.0000012600000000, -0.0000309300000000 ] - [ -0.0000257900000000, -0.0000618300000000, -0.0000481000000000 ] - [ -0.0000223100000000, 0.0000001600000000, -0.0000502000000000 ] - [ 0.0000073200000000, 0.0001107900000000, 0.0000190900000000 ] - [ 0.0000637600000000, -0.0004434400000000, 0.0000169900000000 ] - [ -0.0000343300000000, 0.0000583300000000, -0.0001078200000000 ] - [ -0.0000183300000000, -0.0000117400000000, 0.0000267700000000 ] - [ 0.0000097000000000, -0.0001107500000000, 0.0000140800000000 ] - [ -0.0000822300000000, 0.0000232900000000, 0.0000170000000000 ] - [ 0.0034190200000000, 0.0021135300000000, 0.0059677200000000 ] - [ -0.0000795800000000, 0.0000060700000000, -0.0000787800000000 ] - [ -0.0002243600000000, -0.0000368600000000, 0.0003438900000000 ] - [ 0.0001448600000000, 0.0230708500000000, -0.0000429200000000 ] - [ -0.0002164100000000, -0.0000575100000000, 0.0003518800000000 ] - [ 0.0000168100000000, 0.0018485700000000, 0.0000284100000000 ] - [ 0.0002938700000000, -0.0000351600000000, -0.0001397300000000 ] - [ 0.0009986300000000, -0.0961192700000000, -0.0014020600000000 ] - [ 0.0017993000000000, 0.0017248100000000, 0.0047571700000000 ] - [ 0.0000298900000000, -0.0052901300000000, 0.0000080100000000 ] - [ 0.0043278500000000, 0.0021350700000000, 0.0005722700000000 ] - [ -0.0000176700000000, -0.0006020800000000, 0.0001215900000000 ] - [ -0.0017719000000000, 0.0016701000000000, -0.0047829000000000 ] - [ 0.0001609600000000, -0.0008549900000000, -0.0000389300000000 ] - [ -0.0095218700000000, 0.0035422100000000, -0.0011728900000000 ] - [ -0.0000126100000000, 0.0000203200000000, 0.0001148400000000 ] - [ 0.0000083400000000, -0.0015062400000000, 0.0000132700000000 ] - [ -0.0001612000000000, -0.0000421200000000, 0.0001122300000000 ] - [ 0.0002630400000000, -0.0000954600000000, -0.0000531800000000 ] - [ -0.0000344600000000, 0.0001406300000000, 0.0000124000000000 ] - [ -0.0000999200000000, -0.0000024300000000, 0.0001440700000000 ] - [ -0.0000455500000000, -0.0001460800000000, -0.0000387300000000 ] - [ -0.0000282200000000, 0.0000043100000000, -0.0000104700000000 ] - [ -0.0000759400000000, 0.0000039400000000, -0.0000385300000000 ] - [ -0.0000621500000000, -0.0000104600000000, 0.0000460300000000 ] - [ 0.0000739200000000, -0.0000046800000000, -0.0001192500000000 ] - [ -0.0000583500000000, -0.0000002800000000, -0.0000105700000000 ] - [ -0.0001511600000000, -0.0000044700000000, 0.0000795200000000 ] - [ -0.0000625600000000, 0.0000099900000000, 0.0000431000000000 ] - [ -0.0000457000000000, -0.0000001800000000, 0.0000108300000000 ] - [ -0.0000549100000000, -0.0000004900000000, -0.0000138400000000 ] - [ -0.0000302300000000, 0.0000042800000000, -0.0000308300000000 ] - [ 0.0000162000000000, -0.0000660700000000, -0.0000265200000000 ] - [ -0.0000224300000000, -0.0000000500000000, -0.0000502700000000 ] - [ 0.0000073200000000, 0.0001111000000000, 0.0000201400000000 ] - [ 0.0000634400000000, 0.0000182600000000, 0.0000135700000000 ] - [ 0.0000068700000000, 0.0000623900000000, -0.0000873300000000 ] - [ -0.0000174500000000, 0.0000024600000000, 0.0000264800000000 ] - [ 0.0000097900000000, -0.0001109500000000, 0.0000147100000000 ] - [ -0.0000837700000000, 0.0006024200000000, 0.0000203800000000 ] - [ 0.0001650300000000, -0.0000306100000000, -0.0004200300000000 ] - [ -0.0000784900000000, -0.0000054600000000, -0.0000791600000000 ] - [ 0.0000578900000000, 0.0000172200000000, 0.0000922300000000 ] - [ 0.0001291600000000, -0.0010953300000000, -0.0000316600000000 ] - [ -0.0034305500000000, 0.0020934100000000, -0.0059762300000000 ] - [ 0.0000138600000000, -0.0007684600000000, 0.0000392700000000 ] - [ 0.0000169000000000, 0.0000168400000000, 0.0001130800000000 ] - [ 0.0000409800000000, 0.0014258900000000, 0.0000099500000000 ] - [ 0.0000627800000000, 0.0000011700000000, -0.0002155600000000 ] - [ 0.0000275600000000, 0.0009729600000000, 0.0000171300000000 ] - [ 0.0096680800000000, 0.0036807300000000, 0.0011151800000000 ] - [ -0.0000173300000000, 0.0000182300000000, 0.0001239300000000 ] - [ -0.0000266600000000, -0.0000301600000000, 0.0002170600000000 ] - [ 0.0001675500000000, 0.0004048200000000, -0.0000458300000000 ] - [ -0.0040874900000000, 0.0020352900000000, -0.0006200500000000 ] - [ -0.0000107100000000, 0.0005876400000000, 0.0001109500000000 ] - [ 0.0000185200000000, 0.0009512200000000, -0.0000084700000000 ] - [ 0.0000873500000000, 0.0000305900000000, 0.0000580400000000 ] - [ 0.0000100200000000, -0.0000197200000000, -0.0000012400000000 ]- atom: 89 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0001988800000000, 0.0000000000000000, -0.0006954100000000 ] - [ -0.0000143300000000, 0.0000000000000000, -0.0009020700000000 ] - [ -0.0000467800000000, 0.0000000000000000, -0.0008642700000000 ] - [ -0.0001379100000000, 0.0000000000000000, -0.0008986700000000 ] - [ 0.0005101700000000, 0.0000000000000000, -0.0009633500000000 ] - [ 0.0000775100000000, 0.0000000000000000, -0.0009134300000000 ] - [ 0.0018365900000000, 0.0000000000000000, 0.0036635600000000 ] - [ 0.0019513800000000, 0.0000000000000000, -0.0020935600000000 ] - [ 0.0001593100000000, 0.0000000000000000, -0.0032637600000000 ] - [ 0.0047034800000000, 0.0000000000000000, 0.0139177200000000 ] - [ 0.0002406400000000, 0.0000000000000000, -0.0012986600000000 ] - [ 0.0000329700000000, 0.0000000000000000, -0.0008471500000000 ] - [ -0.0000759900000000, 0.0000000000000000, -0.0008263500000000 ] - [ -0.0001307300000000, 0.0000000000000000, -0.0009209800000000 ] - [ -0.0004909600000000, 0.0000000000000000, -0.0006374900000000 ] - [ -0.0000466100000000, 0.0000000000000000, -0.0010263100000000 ] - [ -0.0021134800000000, 0.0000000000000000, 0.0047993800000000 ] - [ 0.0001578600000000, 0.0000000000000000, 0.0002302300000000 ] - [ -0.0001520800000000, 0.0000000000000000, 0.0001133700000000 ] - [ 0.0004592200000000, 0.0000000000000000, 0.0023748200000000 ] - [ 0.0002923700000000, 0.0000000000000000, -0.0010333600000000 ] - [ -0.0006241000000000, 0.0000000000000000, -0.0013164700000000 ] - [ -0.0001784500000000, -0.0001691200000000, -0.0012733400000000 ] - [ -0.0001136400000000, 0.0000000000000000, -0.0013377800000000 ] - [ -0.0001784500000000, 0.0001691200000000, -0.0012733400000000 ] - [ -0.0001002300000000, 0.0001484300000000, -0.0013390300000000 ] - [ 0.0006001200000000, 0.0000000000000000, -0.0042244700000000 ] - [ 0.0002028300000000, 0.0000000000000000, -0.0014643500000000 ] - [ -0.0000386600000000, -0.0001410300000000, -0.0013084400000000 ] - [ -0.0056483600000000, 0.0000000000000000, -0.0035818600000000 ] - [ -0.0001022300000000, 0.0000000000000000, -0.0013699400000000 ] - [ 0.0002706000000000, -0.0003009200000000, -0.0009492600000000 ] - [ -0.0001674500000000, 0.0000042700000000, -0.0018827000000000 ] - [ 0.0000063600000000, 0.0000000000000000, -0.0014971100000000 ] - [ -0.0069763000000000, 0.0191849600000000, 0.0269548500000000 ] - [ 0.0023531300000000, 0.0000000000000000, 0.0040683500000000 ] - [ -0.0069763000000000, -0.0191849600000000, 0.0269548500000000 ] - [ 0.0017410500000000, 0.0017943300000000, -0.0008687600000000 ] - [ -0.0029514900000000, -0.0000757300000000, -0.0010763400000000 ] - [ -0.0066742000000000, 0.0000000000000000, 0.0121556000000000 ] - [ -0.0000370900000000, 0.0000000000000000, -0.0016179700000000 ] - [ 0.0002813300000000, 0.0000000000000000, -0.0018026200000000 ] - [ -0.0000154700000000, -0.0001986700000000, -0.0013944100000000 ] - [ -0.0001090100000000, 0.0000000000000000, -0.0013300700000000 ] - [ -0.0000154700000000, 0.0001986700000000, -0.0013944100000000 ] - [ -0.0000386600000000, 0.0001410300000000, -0.0013084400000000 ] - [ -0.0013767900000000, 0.0000000000000000, 0.0001015600000000 ] - [ -0.0002720400000000, 0.0000000000000000, -0.0012986300000000 ] - [ -0.0001002300000000, -0.0001484300000000, -0.0013390300000000 ] - [ 0.0013750100000000, 0.0000000000000000, 0.0005379100000000 ] - [ -0.0001509800000000, 0.0000000000000000, -0.0014193700000000 ] - [ -0.0001674500000000, -0.0000042700000000, -0.0018827000000000 ] - [ 0.0002706000000000, 0.0003009200000000, -0.0009492600000000 ] - [ -0.0000630700000000, 0.0000000000000000, -0.0012525500000000 ] - [ -0.0000810900000000, 0.0000892200000000, 0.0034110100000000 ] - [ -0.0002456200000000, 0.0000000000000000, 0.0028596800000000 ] - [ -0.0000810900000000, -0.0000892200000000, 0.0034110100000000 ] - [ -0.0029514900000000, 0.0000757300000000, -0.0010763400000000 ] - [ 0.0017410500000000, -0.0017943300000000, -0.0008687600000000 ] - [ -0.0004923100000000, 0.0000000000000000, 0.0032993600000000 ] - [ 0.0002081500000000, 0.0000856300000000, 0.0009389900000000 ] - [ -0.0001157300000000, 0.0000000000000000, 0.0013017100000000 ] - [ -0.0000625800000000, -0.0001815500000000, 0.0008487000000000 ] - [ -0.0000728600000000, 0.0000000000000000, 0.0007281800000000 ] - [ -0.0002345600000000, 0.0000000000000000, 0.0008063000000000 ] - [ 0.0000409300000000, -0.0000964300000000, 0.0008506700000000 ] - [ 0.0000445600000000, 0.0000000000000000, 0.0007299600000000 ] - [ 0.0000192600000000, 0.0000663700000000, 0.0007608300000000 ] - [ -0.0002318800000000, 0.0000000000000000, 0.0012334000000000 ] - [ 0.0000409300000000, 0.0000964300000000, 0.0008506700000000 ] - [ -0.0001875400000000, 0.0000000000000000, 0.0008587800000000 ] - [ 0.0000192600000000, -0.0000663700000000, 0.0007608300000000 ] - [ -0.0002332200000000, 0.0000000000000000, 0.0008196900000000 ] - [ -0.0001010700000000, -0.0000755800000000, 0.0006899100000000 ] - [ -0.0000814400000000, 0.0000000000000000, 0.0010698900000000 ] - [ 0.0000903000000000, 0.0001927500000000, 0.0007743400000000 ] - [ 0.0005519200000000, 0.0000000000000000, 0.0016876400000000 ] - [ 0.0003101500000000, 0.0001617900000000, 0.0008227200000000 ] - [ -0.0002118200000000, 0.0000000000000000, 0.0010383800000000 ] - [ 0.0001361600000000, -0.0002111600000000, 0.0008699300000000 ] - [ -0.0013265000000000, 0.0000000000000000, 0.0010797300000000 ] - [ 0.0035783600000000, 0.0044362800000000, 0.0048370300000000 ] - [ -0.0001471500000000, 0.0000000000000000, 0.0013190200000000 ] - [ -0.0000913300000000, 0.0003842900000000, 0.0014721200000000 ] - [ 0.0006652200000000, 0.0000000000000000, -0.0083167700000000 ] - [ -0.0008548900000000, 0.0001752200000000, -0.0012974100000000 ] - [ -0.0014236900000000, 0.0000000000000000, -0.0007548100000000 ] - [ -0.0000913300000000, -0.0003842900000000, 0.0014721200000000 ] - [ 0.0172393900000000, 0.0000000000000000, -0.0904823400000000 ] - [ 0.0035048900000000, 0.0050256400000000, 0.0063985300000000 ] - [ -0.0081128500000000, 0.0000000000000000, 0.0075177900000000 ] - [ -0.0003124100000000, -0.0003294300000000, -0.0037140400000000 ] - [ 0.0004316500000000, 0.0000000000000000, 0.0017308400000000 ] - [ 0.0035048900000000, -0.0050256400000000, 0.0063985300000000 ] - [ 0.0022243400000000, 0.0000000000000000, -0.0009356100000000 ] - [ 0.0004786100000000, -0.0009558200000000, -0.0057368500000000 ] - [ -0.0008845800000000, 0.0000000000000000, 0.0011726700000000 ] - [ -0.0050251800000000, 0.0000000000000000, 0.0051810900000000 ] - [ -0.0001701000000000, 0.0002634800000000, 0.0012856200000000 ] - [ -0.0001701000000000, -0.0002634800000000, 0.0012856200000000 ] - [ -0.0000625800000000, 0.0001815500000000, 0.0008487000000000 ] - [ -0.0001722200000000, 0.0000000000000000, 0.0013047600000000 ] - [ 0.0002081500000000, -0.0000856300000000, 0.0009389900000000 ] - [ -0.0001579500000000, 0.0000000000000000, 0.0010270100000000 ] - [ -0.0001814000000000, 0.0000000000000000, 0.0007957300000000 ] - [ 0.0000489900000000, -0.0000968400000000, 0.0008496200000000 ] - [ 0.0000259800000000, 0.0000000000000000, 0.0009397300000000 ] - [ 0.0000499300000000, 0.0000694000000000, 0.0008164400000000 ] - [ -0.0001593500000000, 0.0000000000000000, 0.0012293600000000 ] - [ 0.0000489900000000, 0.0000968400000000, 0.0008496200000000 ] - [ -0.0002058100000000, 0.0000000000000000, 0.0008331700000000 ] - [ 0.0000499300000000, -0.0000694000000000, 0.0008164400000000 ] - [ -0.0001358600000000, 0.0000000000000000, 0.0008028700000000 ] - [ 0.0003101500000000, -0.0001617900000000, 0.0008227200000000 ] - [ -0.0000630200000000, 0.0000000000000000, 0.0011111500000000 ] - [ 0.0001361600000000, 0.0002111600000000, 0.0008699300000000 ] - [ -0.0002881700000000, 0.0000000000000000, 0.0002807000000000 ] - [ -0.0001010700000000, 0.0000755800000000, 0.0006899100000000 ] - [ -0.0000911600000000, 0.0000000000000000, 0.0006304200000000 ] - [ 0.0000903000000000, -0.0001927500000000, 0.0007743400000000 ] - [ 0.0006757900000000, 0.0000000000000000, 0.0015570800000000 ] - [ -0.0008548900000000, -0.0001752200000000, -0.0012974100000000 ] - [ -0.0001805500000000, 0.0000000000000000, 0.0008970300000000 ] - [ 0.0002029300000000, -0.0000331200000000, 0.0001882200000000 ] - [ 0.0002486100000000, 0.0000000000000000, -0.0026677000000000 ] - [ 0.0035783600000000, -0.0044362800000000, 0.0048370300000000 ] - [ 0.0019078300000000, 0.0000000000000000, -0.0014857000000000 ] - [ 0.0002029300000000, 0.0000331200000000, 0.0001882200000000 ] - [ 0.0004722600000000, 0.0000000000000000, -0.0018337600000000 ] - [ -0.0006070000000000, -0.0001265700000000, -0.0011625300000000 ] - [ 0.0013761400000000, 0.0000000000000000, -0.0019193200000000 ] - [ 0.0004786100000000, 0.0009558200000000, -0.0057368500000000 ] - [ -0.0003010800000000, 0.0000000000000000, 0.0004534200000000 ] - [ -0.0006070000000000, 0.0001265700000000, -0.0011625300000000 ] - [ -0.0007873500000000, 0.0000000000000000, -0.0010820000000000 ] - [ -0.0003124100000000, 0.0003294300000000, -0.0037140400000000 ] - [ 0.0008655200000000, 0.0000000000000000, 0.0017529200000000 ] - [ 0.0013272000000000, 0.0000000000000000, -0.0019272800000000 ] - [ 0.0003460200000000, -0.0000151500000000, 0.0002792700000000 ] - [ 0.0003460200000000, 0.0000151500000000, 0.0002792700000000 ]- atom: 89 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0001323000000000, 0.0000000000000000, 0.0005396200000000 ] - [ -0.0001396500000000, 0.0000000000000000, 0.0008690500000000 ] - [ -0.0000717000000000, 0.0000000000000000, 0.0008460700000000 ] - [ -0.0000601800000000, 0.0000000000000000, 0.0009853700000000 ] - [ -0.0005225800000000, 0.0000000000000000, 0.0009322600000000 ] - [ -0.0000066800000000, 0.0000000000000000, 0.0009068600000000 ] - [ -0.0017903600000000, 0.0000000000000000, -0.0036025800000000 ] - [ -0.0019359300000000, 0.0000000000000000, 0.0020288800000000 ] - [ -0.0002133200000000, 0.0000000000000000, 0.0032064000000000 ] - [ -0.0053608000000000, 0.0000000000000000, -0.0145262100000000 ] - [ -0.0001773800000000, 0.0000000000000000, 0.0011463100000000 ] - [ -0.0001868000000000, 0.0000000000000000, 0.0008133000000000 ] - [ -0.0000417900000000, 0.0000000000000000, 0.0008082600000000 ] - [ -0.0000675600000000, 0.0000000000000000, 0.0010075500000000 ] - [ 0.0004746400000000, 0.0000000000000000, 0.0006079900000000 ] - [ 0.0001166700000000, 0.0000000000000000, 0.0010184700000000 ] - [ 0.0021510900000000, 0.0000000000000000, -0.0047208800000000 ] - [ -0.0001535400000000, 0.0000000000000000, -0.0002856100000000 ] - [ 0.0001058500000000, 0.0000000000000000, -0.0001942200000000 ] - [ -0.0002113200000000, 0.0000000000000000, -0.0024424900000000 ] - [ -0.0001698900000000, 0.0000000000000000, 0.0009978000000000 ] - [ 0.0007889700000000, 0.0000000000000000, 0.0013090900000000 ] - [ 0.0002131400000000, -0.0001314100000000, 0.0012477000000000 ] - [ -0.0001973100000000, 0.0000000000000000, 0.0014623800000000 ] - [ 0.0002131400000000, 0.0001314100000000, 0.0012477000000000 ] - [ 0.0000307800000000, 0.0000321200000000, 0.0013189600000000 ] - [ -0.0006007900000000, 0.0000000000000000, 0.0042558600000000 ] - [ -0.0002908500000000, 0.0000000000000000, 0.0015179200000000 ] - [ -0.0000306700000000, -0.0000395300000000, 0.0012885200000000 ] - [ 0.0057144000000000, 0.0000000000000000, 0.0034306700000000 ] - [ -0.0002404900000000, 0.0000000000000000, 0.0013790700000000 ] - [ -0.0002244700000000, 0.0002169100000000, 0.0009280900000000 ] - [ 0.0002125100000000, 0.0000781000000000, 0.0018565300000000 ] - [ -0.0001336100000000, 0.0000000000000000, 0.0015569000000000 ] - [ 0.0068424200000000, -0.0185154300000000, -0.0266727100000000 ] - [ -0.0024426100000000, 0.0000000000000000, -0.0041179400000000 ] - [ 0.0068424200000000, 0.0185154300000000, -0.0266727100000000 ] - [ -0.0016974100000000, -0.0017716300000000, 0.0007775200000000 ] - [ 0.0030153300000000, 0.0000522300000000, 0.0009888600000000 ] - [ 0.0064962100000000, 0.0000000000000000, -0.0120097000000000 ] - [ 0.0001601500000000, 0.0000000000000000, 0.0015868000000000 ] - [ -0.0001221300000000, 0.0000000000000000, 0.0017946900000000 ] - [ 0.0000490500000000, -0.0001015400000000, 0.0013690400000000 ] - [ -0.0002018900000000, 0.0000000000000000, 0.0014545000000000 ] - [ 0.0000490500000000, 0.0001015400000000, 0.0013690400000000 ] - [ -0.0000306700000000, 0.0000395300000000, 0.0012885200000000 ] - [ 0.0013672200000000, 0.0000000000000000, -0.0000536800000000 ] - [ 0.0001828500000000, 0.0000000000000000, 0.0013529400000000 ] - [ 0.0000307800000000, -0.0000321200000000, 0.0013189600000000 ] - [ -0.0012677600000000, 0.0000000000000000, -0.0006512200000000 ] - [ -0.0001915400000000, 0.0000000000000000, 0.0014281900000000 ] - [ 0.0002125100000000, -0.0000781000000000, 0.0018565300000000 ] - [ -0.0002244700000000, -0.0002169100000000, 0.0009280900000000 ] - [ -0.0000641000000000, 0.0000000000000000, 0.0013135900000000 ] - [ 0.0003615100000000, -0.0001130100000000, -0.0034226800000000 ] - [ 0.0001747500000000, 0.0000000000000000, -0.0028876700000000 ] - [ 0.0003615100000000, 0.0001130100000000, -0.0034226800000000 ] - [ 0.0030153300000000, -0.0000522300000000, 0.0009888600000000 ] - [ -0.0016974100000000, 0.0017716300000000, 0.0007775200000000 ] - [ 0.0005764600000000, 0.0000000000000000, -0.0033530700000000 ] - [ -0.0002590600000000, 0.0001806600000000, -0.0009469500000000 ] - [ -0.0000863800000000, 0.0000000000000000, -0.0010178600000000 ] - [ 0.0000138700000000, -0.0000849000000000, -0.0008552700000000 ] - [ 0.0000097700000000, 0.0000000000000000, -0.0007454000000000 ] - [ 0.0000844500000000, 0.0000000000000000, -0.0008836800000000 ] - [ -0.0001668100000000, 0.0000770400000000, -0.0007625700000000 ] - [ 0.0001042900000000, 0.0000000000000000, -0.0009676700000000 ] - [ -0.0001311800000000, -0.0000680600000000, -0.0007863000000000 ] - [ -0.0000702500000000, 0.0000000000000000, -0.0010737600000000 ] - [ -0.0001668100000000, -0.0000770400000000, -0.0007625700000000 ] - [ 0.0000976200000000, 0.0000000000000000, -0.0008383000000000 ] - [ -0.0001311800000000, 0.0000680600000000, -0.0007863000000000 ] - [ 0.0001719000000000, 0.0000000000000000, -0.0008824100000000 ] - [ 0.0000799600000000, -0.0000441800000000, -0.0008269000000000 ] - [ 0.0000367000000000, 0.0000000000000000, -0.0011685300000000 ] - [ -0.0000734700000000, 0.0000303800000000, -0.0007413500000000 ] - [ -0.0004211900000000, 0.0000000000000000, -0.0016540800000000 ] - [ -0.0003290700000000, -0.0000412500000000, -0.0009594000000000 ] - [ 0.0001789400000000, 0.0000000000000000, -0.0009850900000000 ] - [ -0.0001188500000000, -0.0000118600000000, -0.0008360200000000 ] - [ 0.0011493200000000, 0.0000000000000000, -0.0010416700000000 ] - [ -0.0035923900000000, -0.0043397200000000, -0.0048508100000000 ] - [ -0.0000129700000000, 0.0000000000000000, -0.0014786800000000 ] - [ 0.0001638600000000, -0.0003772900000000, -0.0012651700000000 ] - [ -0.0003988500000000, 0.0000000000000000, 0.0082581100000000 ] - [ 0.0007982100000000, -0.0002037600000000, 0.0012187500000000 ] - [ 0.0014552400000000, 0.0000000000000000, 0.0008077200000000 ] - [ 0.0001638600000000, 0.0003772900000000, -0.0012651700000000 ] - [ -0.0150720700000000, 0.0000000000000000, 0.0903087700000000 ] - [ -0.0035059300000000, -0.0050474100000000, -0.0064737600000000 ] - [ 0.0080355900000000, 0.0000000000000000, -0.0073888500000000 ] - [ 0.0005047600000000, 0.0004285700000000, 0.0036634500000000 ] - [ -0.0004655100000000, 0.0000000000000000, -0.0014865200000000 ] - [ -0.0035059300000000, 0.0050474100000000, -0.0064737600000000 ] - [ -0.0019105000000000, 0.0000000000000000, 0.0008663100000000 ] - [ -0.0002223900000000, 0.0008131400000000, 0.0056968500000000 ] - [ 0.0008674000000000, 0.0000000000000000, -0.0009488600000000 ] - [ 0.0051023800000000, 0.0000000000000000, -0.0052312900000000 ] - [ 0.0002696700000000, -0.0002109100000000, -0.0012274800000000 ] - [ 0.0002696700000000, 0.0002109100000000, -0.0012274800000000 ] - [ 0.0000138700000000, 0.0000849000000000, -0.0008552700000000 ] - [ -0.0000292600000000, 0.0000000000000000, -0.0010204800000000 ] - [ -0.0002590600000000, -0.0001806600000000, -0.0009469500000000 ] - [ 0.0000967200000000, 0.0000000000000000, -0.0010455600000000 ] - [ 0.0000308400000000, 0.0000000000000000, -0.0008732000000000 ] - [ -0.0001746700000000, 0.0000780600000000, -0.0007617800000000 ] - [ 0.0001239900000000, 0.0000000000000000, -0.0011785100000000 ] - [ -0.0001618300000000, -0.0000707900000000, -0.0008423000000000 ] - [ -0.0001418600000000, 0.0000000000000000, -0.0010694000000000 ] - [ -0.0001746700000000, -0.0000780600000000, -0.0007617800000000 ] - [ 0.0001156100000000, 0.0000000000000000, -0.0008126600000000 ] - [ -0.0001618300000000, 0.0000707900000000, -0.0008423000000000 ] - [ 0.0000747600000000, 0.0000000000000000, -0.0008653600000000 ] - [ -0.0003290700000000, 0.0000412500000000, -0.0009594000000000 ] - [ 0.0000182700000000, 0.0000000000000000, -0.0012101700000000 ] - [ -0.0001188500000000, 0.0000118600000000, -0.0008360200000000 ] - [ 0.0004159200000000, 0.0000000000000000, -0.0002562800000000 ] - [ 0.0000799600000000, 0.0000441800000000, -0.0008269000000000 ] - [ 0.0000593200000000, 0.0000000000000000, -0.0005788900000000 ] - [ -0.0000734700000000, -0.0000303800000000, -0.0007413500000000 ] - [ -0.0008431000000000, 0.0000000000000000, -0.0015169800000000 ] - [ 0.0007982100000000, 0.0002037600000000, 0.0012187500000000 ] - [ 0.0000215800000000, 0.0000000000000000, -0.0010588000000000 ] - [ -0.0001284600000000, 0.0000368400000000, 0.0000132600000000 ] - [ 0.0000134400000000, 0.0000000000000000, 0.0026068300000000 ] - [ -0.0035923900000000, 0.0043397200000000, -0.0048508100000000 ] - [ -0.0018727900000000, 0.0000000000000000, 0.0015550700000000 ] - [ -0.0001284600000000, -0.0000368400000000, 0.0000132600000000 ] - [ -0.0003971900000000, 0.0000000000000000, 0.0018511800000000 ] - [ 0.0006469900000000, 0.0001653500000000, 0.0011719700000000 ] - [ -0.0013199100000000, 0.0000000000000000, 0.0019352500000000 ] - [ -0.0002223900000000, -0.0008131400000000, 0.0056968500000000 ] - [ 0.0002692300000000, 0.0000000000000000, -0.0001998400000000 ] - [ 0.0006469900000000, -0.0001653500000000, 0.0011719700000000 ] - [ 0.0011178200000000, 0.0000000000000000, 0.0010116300000000 ] - [ 0.0005047600000000, -0.0004285700000000, 0.0036634500000000 ] - [ -0.0008902900000000, 0.0000000000000000, -0.0015370000000000 ] - [ -0.0013020700000000, 0.0000000000000000, 0.0019221700000000 ] - [ -0.0002510300000000, 0.0000680000000000, -0.0002174400000000 ] - [ -0.0002510300000000, -0.0000680000000000, -0.0002174400000000 ]- atom: 90 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0021358800000000, -0.0000526700000000, -0.0005576700000000 ] - [ 0.0004949100000000, 0.0000474500000000, -0.0005150300000000 ] - [ -0.0000374800000000, 0.0000003100000000, -0.0001415700000000 ] - [ -0.0002088600000000, -0.0000062300000000, -0.0001117800000000 ] - [ 0.0000563300000000, 0.0000005600000000, -0.0001032000000000 ] - [ 0.0000214800000000, 0.0000002800000000, -0.0001066300000000 ] - [ -0.0004595400000000, 0.0006993600000000, 0.0012574300000000 ] - [ 0.0003594000000000, -0.0000523900000000, -0.0004224400000000 ] - [ 0.0122241100000000, 0.0015169100000000, -0.0014839500000000 ] - [ 0.0127734300000000, -0.0033297900000000, -0.0029164800000000 ] - [ 0.0035131900000000, 0.0013258700000000, 0.0014443200000000 ] - [ -0.0005592200000000, -0.0000911500000000, 0.0002051100000000 ] - [ -0.0000785500000000, -0.0000001900000000, -0.0000894800000000 ] - [ -0.0000121800000000, -0.0000020900000000, -0.0000348300000000 ] - [ -0.0001003300000000, 0.0000036500000000, -0.0001321000000000 ] - [ 0.0000430500000000, -0.0000000400000000, -0.0001458300000000 ] - [ -0.0007953200000000, -0.0000771400000000, -0.0009541500000000 ] - [ -0.0002650800000000, 0.0000488900000000, 0.0000540900000000 ] - [ -0.0040604100000000, 0.0001882100000000, -0.0008642900000000 ] - [ -0.0030535600000000, -0.0000971400000000, -0.0012206300000000 ] - [ -0.0013767600000000, 0.0002870300000000, 0.0010539200000000 ] - [ -0.0012975100000000, 0.0000890400000000, -0.0024952300000000 ] - [ -0.0005929000000000, -0.0001696100000000, -0.0006677500000000 ] - [ -0.0001253600000000, -0.0000022100000000, -0.0002906300000000 ] - [ -0.0005121900000000, 0.0001605800000000, -0.0006069400000000 ] - [ 0.0000039600000000, 0.0000954100000000, -0.0001783700000000 ] - [ 0.0002097200000000, -0.0000139000000000, 0.0000214500000000 ] - [ 0.0000049300000000, -0.0000002100000000, -0.0001440900000000 ] - [ -0.0000852000000000, -0.0000975000000000, -0.0001742900000000 ] - [ -0.0003893800000000, 0.0001485700000000, -0.0007113600000000 ] - [ -0.0003974600000000, 0.0000231200000000, -0.0000315400000000 ] - [ -0.0000449500000000, -0.0000417700000000, -0.0000849600000000 ] - [ 0.0001105800000000, 0.0000049400000000, -0.0002911600000000 ] - [ -0.0000394500000000, -0.0000000200000000, -0.0001679500000000 ] - [ 0.0033134700000000, 0.0004536300000000, -0.0010506000000000 ] - [ 0.0232876700000000, -0.0287570700000000, 0.0095703000000000 ] - [ 0.0040856300000000, -0.0003908500000000, -0.0006606000000000 ] - [ -0.0035839500000000, 0.0003095900000000, 0.0034677900000000 ] - [ 0.0037792300000000, 0.0003659300000000, -0.0016751800000000 ] - [ -0.0027894600000000, -0.0012383000000000, -0.0045950000000000 ] - [ 0.0012461600000000, -0.0005831500000000, -0.0028864600000000 ] - [ -0.0004451700000000, -0.0014622300000000, 0.0026691000000000 ] - [ 0.0005289100000000, -0.0001718100000000, 0.0004527900000000 ] - [ -0.0001734200000000, 0.0000023700000000, 0.0000445300000000 ] - [ 0.0003783700000000, 0.0001668800000000, 0.0002603700000000 ] - [ -0.0000847700000000, 0.0000975800000000, -0.0001731800000000 ] - [ -0.0002351300000000, -0.0000227200000000, -0.0002120000000000 ] - [ -0.0000895800000000, 0.0000007100000000, -0.0001531700000000 ] - [ 0.0000025300000000, -0.0000952600000000, -0.0001794400000000 ] - [ 0.0002621200000000, -0.0001478400000000, 0.0004334100000000 ] - [ 0.0000966200000000, 0.0000017300000000, -0.0003008600000000 ] - [ 0.0001107700000000, -0.0000052500000000, -0.0002811100000000 ] - [ -0.0000378600000000, 0.0000416500000000, -0.0000743200000000 ] - [ -0.0000756400000000, -0.0000002200000000, -0.0001181100000000 ] - [ -0.0016705400000000, -0.0000123500000000, 0.0001152400000000 ] - [ -0.0076218500000000, -0.0006257000000000, 0.0017090000000000 ] - [ -0.0014755900000000, 0.0000026100000000, 0.0001945100000000 ] - [ 0.0399515800000000, 0.0044247700000000, 0.0216851800000000 ] - [ -0.0067561100000000, -0.0002436400000000, 0.0028261300000000 ] - [ -0.0018677400000000, -0.0020347900000000, 0.0057852300000000 ] - [ 0.0002426500000000, 0.0000560600000000, 0.0013009000000000 ] - [ -0.0000353900000000, -0.0000328500000000, 0.0006270200000000 ] - [ 0.0001094800000000, -0.0000909600000000, -0.0005867300000000 ] - [ 0.0010319100000000, -0.0000390900000000, 0.0003547900000000 ] - [ -0.0001253600000000, -0.0000220300000000, -0.0001375000000000 ] - [ -0.0000084200000000, -0.0000369000000000, 0.0002013500000000 ] - [ 0.0006985100000000, 0.0000401800000000, 0.0002006600000000 ] - [ 0.0002158200000000, 0.0000235500000000, 0.0000680300000000 ] - [ -0.0001531900000000, -0.0000000300000000, 0.0002323900000000 ] - [ -0.0000124600000000, 0.0000361300000000, 0.0002006900000000 ] - [ -0.0001272100000000, 0.0000016700000000, 0.0001460200000000 ] - [ 0.0001787400000000, -0.0000201300000000, 0.0001038000000000 ] - [ -0.0000495400000000, 0.0000000300000000, 0.0000780400000000 ] - [ -0.0000233000000000, -0.0000657300000000, 0.0000034900000000 ] - [ 0.0000071900000000, -0.0000007400000000, 0.0000629600000000 ] - [ 0.0000306500000000, 0.0001219100000000, 0.0001047300000000 ] - [ 0.0001003300000000, -0.0000198900000000, 0.0004166000000000 ] - [ 0.0000349100000000, 0.0000834600000000, 0.0000700000000000 ] - [ -0.0000800200000000, 0.0000013200000000, 0.0001617200000000 ] - [ 0.0000121700000000, -0.0001228700000000, 0.0001323300000000 ] - [ -0.0001195800000000, -0.0000058800000000, -0.0000077400000000 ] - [ 0.0002883300000000, -0.0002328300000000, 0.0010350000000000 ] - [ -0.0001180200000000, -0.0000020300000000, 0.0000809000000000 ] - [ -0.0001163200000000, -0.0000245500000000, 0.0001950500000000 ] - [ -0.0013322500000000, -0.0019447500000000, 0.0049895500000000 ] - [ 0.0000946600000000, -0.0000574000000000, -0.0003602800000000 ] - [ -0.0009943400000000, 0.0002565500000000, 0.0000429300000000 ] - [ -0.0000881400000000, 0.0000188800000000, 0.0001988000000000 ] - [ -0.0019762400000000, 0.0017905100000000, 0.0038413400000000 ] - [ -0.1099298100000000, 0.0340929700000000, -0.0289190400000000 ] - [ -0.0008507700000000, -0.0003190200000000, -0.0003158700000000 ] - [ 0.0015390600000000, 0.0003189000000000, 0.0011279300000000 ] - [ -0.0028282100000000, -0.0039537800000000, 0.0063888000000000 ] - [ -0.0067642500000000, -0.0025675100000000, -0.0012762200000000 ] - [ 0.0138242900000000, -0.0099729600000000, -0.0017566100000000 ] - [ -0.0017006000000000, -0.0000328500000000, -0.0019147600000000 ] - [ 0.0021318400000000, 0.0002650300000000, -0.0007867600000000 ] - [ 0.0086890300000000, 0.0052067100000000, -0.0007129500000000 ] - [ 0.0028330800000000, 0.0007841600000000, -0.0072248300000000 ] - [ -0.0013280600000000, 0.0003862900000000, -0.0018823400000000 ] - [ 0.0004184700000000, -0.0000366200000000, -0.0011649200000000 ] - [ -0.0001665100000000, 0.0000270700000000, 0.0000286300000000 ] - [ 0.0000226600000000, -0.0001463400000000, 0.0009799400000000 ] - [ -0.0016185700000000, 0.0002419900000000, -0.0002971300000000 ] - [ -0.0000642800000000, 0.0000212900000000, 0.0002954200000000 ] - [ -0.0000817200000000, -0.0000093400000000, 0.0000954100000000 ] - [ -0.0007349400000000, -0.0001725000000000, -0.0003451100000000 ] - [ -0.0003009500000000, 0.0000011800000000, 0.0000560700000000 ] - [ -0.0001604800000000, 0.0000000400000000, 0.0002249900000000 ] - [ -0.0000808500000000, 0.0000103200000000, 0.0000968600000000 ] - [ -0.0000073600000000, 0.0000008900000000, 0.0000877000000000 ] - [ -0.0002720100000000, -0.0000025500000000, 0.0000697800000000 ] - [ -0.0000514400000000, 0.0000000400000000, 0.0000719400000000 ] - [ 0.0000385000000000, -0.0000841600000000, 0.0000728400000000 ] - [ -0.0000685000000000, -0.0000012200000000, 0.0001137100000000 ] - [ 0.0000119000000000, 0.0001228700000000, 0.0001326600000000 ] - [ 0.0000192900000000, 0.0000055800000000, -0.0000166200000000 ] - [ -0.0000225800000000, 0.0000659600000000, 0.0000030200000000 ] - [ 0.0000007100000000, 0.0000013200000000, 0.0001025200000000 ] - [ 0.0000305600000000, -0.0001219600000000, 0.0001039600000000 ] - [ -0.0000700800000000, 0.0000182500000000, 0.0002770600000000 ] - [ 0.0003085800000000, 0.0000555200000000, -0.0006210700000000 ] - [ -0.0000582500000000, -0.0000014600000000, 0.0000357900000000 ] - [ 0.0001775600000000, 0.0000276000000000, 0.0001602800000000 ] - [ 0.0016080600000000, -0.0000313200000000, -0.0012636400000000 ] - [ 0.0000586300000000, 0.0001253200000000, 0.0006753500000000 ] - [ 0.0006541400000000, -0.0000203600000000, 0.0001152400000000 ] - [ 0.0001673200000000, -0.0000278300000000, 0.0001832100000000 ] - [ 0.0020296300000000, 0.0000448200000000, -0.0009097700000000 ] - [ 0.0054875400000000, -0.0009025600000000, 0.0006577200000000 ] - [ 0.0005521500000000, 0.0000104600000000, 0.0003010500000000 ] - [ 0.0004764200000000, -0.0000618800000000, -0.0066874300000000 ] - [ 0.0019011900000000, -0.0001914600000000, -0.0009884100000000 ] - [ 0.0038546300000000, 0.0005755200000000, 0.0003490400000000 ] - [ 0.0092358500000000, -0.0041028500000000, -0.0017055600000000 ] - [ 0.0016074800000000, -0.0002299100000000, 0.0011397500000000 ] - [ -0.0022922200000000, 0.0035227400000000, 0.0042546600000000 ] - [ 0.0069714700000000, 0.0066344300000000, -0.0015869800000000 ] - [ 0.0018664400000000, 0.0000147000000000, 0.0017243500000000 ] - [ 0.0019266300000000, 0.0000144900000000, 0.0014480500000000 ]- atom: 90 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0021974300000000, 0.0000468800000000, 0.0004063900000000 ] - [ -0.0006491900000000, -0.0000464800000000, 0.0004812300000000 ] - [ -0.0000801400000000, 0.0000004100000000, 0.0001238800000000 ] - [ 0.0000093400000000, 0.0000068500000000, 0.0001999300000000 ] - [ -0.0000712400000000, -0.0000003800000000, 0.0000736000000000 ] - [ 0.0000496300000000, 0.0000000500000000, 0.0001008100000000 ] - [ 0.0004976500000000, -0.0006970200000000, -0.0012185600000000 ] - [ -0.0003564200000000, 0.0000530400000000, 0.0003648700000000 ] - [ -0.0121623400000000, -0.0012467100000000, 0.0011559400000000 ] - [ -0.0126077400000000, 0.0035544500000000, 0.0030642200000000 ] - [ -0.0034339600000000, -0.0013354600000000, -0.0016038000000000 ] - [ 0.0004022900000000, 0.0000919000000000, -0.0002364900000000 ] - [ -0.0000379400000000, 0.0000008100000000, 0.0000720200000000 ] - [ -0.0001864800000000, 0.0000027700000000, 0.0001228100000000 ] - [ 0.0000873400000000, -0.0000031600000000, 0.0001025500000000 ] - [ 0.0000273500000000, 0.0000005800000000, 0.0001395000000000 ] - [ 0.0008520400000000, 0.0000793000000000, 0.0009928900000000 ] - [ 0.0002679000000000, -0.0000483200000000, -0.0001150100000000 ] - [ 0.0040123700000000, -0.0001926900000000, 0.0007998300000000 ] - [ 0.0032964400000000, 0.0000972200000000, 0.0011666300000000 ] - [ 0.0014941700000000, -0.0002863400000000, -0.0010826900000000 ] - [ 0.0014473400000000, -0.0000889500000000, 0.0024799100000000 ] - [ 0.0006274200000000, -0.0001276800000000, 0.0006408600000000 ] - [ -0.0001866100000000, 0.0000021100000000, 0.0004159100000000 ] - [ 0.0005468800000000, 0.0001370000000000, 0.0005840200000000 ] - [ -0.0000739600000000, 0.0000844500000000, 0.0001590000000000 ] - [ -0.0002101300000000, 0.0000140100000000, 0.0000236100000000 ] - [ -0.0000958000000000, 0.0000001700000000, 0.0001977200000000 ] - [ 0.0000147800000000, -0.0000820800000000, 0.0001548100000000 ] - [ 0.0004987300000000, -0.0001494700000000, 0.0005875800000000 ] - [ 0.0000579400000000, -0.0000227800000000, 0.0000430200000000 ] - [ 0.0000895700000000, -0.0000407600000000, 0.0000627500000000 ] - [ -0.0000654500000000, 0.0000781200000000, 0.0002695900000000 ] - [ -0.0000858300000000, 0.0000002400000000, 0.0002305800000000 ] - [ -0.0030534600000000, -0.0004827600000000, 0.0010268500000000 ] - [ -0.0233160700000000, 0.0279248300000000, -0.0093096500000000 ] - [ -0.0038196400000000, 0.0004198400000000, 0.0006466000000000 ] - [ 0.0036369700000000, -0.0002825000000000, -0.0035306500000000 ] - [ -0.0037865400000000, -0.0003963400000000, 0.0016054500000000 ] - [ 0.0028920300000000, 0.0012196400000000, 0.0045363600000000 ] - [ -0.0011227300000000, 0.0005832600000000, 0.0028382200000000 ] - [ 0.0006135600000000, 0.0014617000000000, -0.0026785000000000 ] - [ -0.0004891200000000, -0.0001255000000000, -0.0004778500000000 ] - [ -0.0001373100000000, -0.0000021000000000, 0.0000817700000000 ] - [ -0.0003388700000000, 0.0001307800000000, -0.0002819800000000 ] - [ 0.0000136100000000, 0.0000822900000000, 0.0001542600000000 ] - [ 0.0002374100000000, 0.0000229500000000, 0.0002541000000000 ] - [ -0.0000005500000000, -0.0000006400000000, 0.0002064900000000 ] - [ -0.0000725600000000, -0.0000843100000000, 0.0001599200000000 ] - [ -0.0001621500000000, 0.0001476200000000, -0.0005585600000000 ] - [ -0.0004351800000000, -0.0000014800000000, 0.0003110000000000 ] - [ -0.0000657000000000, -0.0000775400000000, 0.0002598100000000 ] - [ 0.0000825100000000, 0.0000411900000000, 0.0000517900000000 ] - [ -0.0000490200000000, 0.0000004700000000, 0.0001806700000000 ] - [ 0.0019415400000000, -0.0000145300000000, -0.0001572800000000 ] - [ 0.0075489600000000, 0.0006348300000000, -0.0017323500000000 ] - [ 0.0017483400000000, 0.0000244000000000, -0.0002374700000000 ] - [ -0.0419165500000000, -0.0046140400000000, -0.0235124100000000 ] - [ 0.0067786200000000, 0.0002160500000000, -0.0028828000000000 ] - [ 0.0019519900000000, 0.0020354300000000, -0.0058413700000000 ] - [ -0.0002915500000000, 0.0002166000000000, -0.0013079300000000 ] - [ -0.0001633100000000, 0.0000329400000000, -0.0003386100000000 ] - [ -0.0001612700000000, -0.0001817200000000, 0.0005722700000000 ] - [ -0.0010848900000000, 0.0000395900000000, -0.0003783500000000 ] - [ -0.0000287000000000, 0.0000219700000000, 0.0000599700000000 ] - [ -0.0001159700000000, 0.0000146700000000, -0.0001110000000000 ] - [ -0.0005492300000000, -0.0000401400000000, -0.0004419300000000 ] - [ -0.0003284800000000, -0.0000224100000000, -0.0000918100000000 ] - [ -0.0001496200000000, 0.0000002100000000, -0.0000753000000000 ] - [ -0.0001122200000000, -0.0000136000000000, -0.0001130400000000 ] - [ 0.0000357300000000, -0.0000015000000000, -0.0001247200000000 ] - [ -0.0002913900000000, 0.0000192300000000, -0.0001291400000000 ] - [ -0.0000112300000000, -0.0000000900000000, -0.0001405500000000 ] - [ 0.0000052600000000, -0.0000601700000000, -0.0001377200000000 ] - [ -0.0000519100000000, 0.0000007900000000, -0.0001658700000000 ] - [ -0.0000137500000000, 0.0000984600000000, -0.0000703300000000 ] - [ 0.0000258300000000, 0.0000199800000000, -0.0003915600000000 ] - [ -0.0000534100000000, 0.0000428300000000, -0.0002065800000000 ] - [ 0.0000434800000000, -0.0000011400000000, -0.0001093400000000 ] - [ 0.0000046600000000, -0.0000975700000000, -0.0000999800000000 ] - [ -0.0000464800000000, 0.0000059500000000, 0.0000450800000000 ] - [ -0.0003451600000000, 0.0002590100000000, -0.0011077000000000 ] - [ -0.0000399900000000, 0.0000022100000000, -0.0002399900000000 ] - [ 0.0001891100000000, 0.0000230200000000, 0.0000097300000000 ] - [ 0.0015741600000000, 0.0019428900000000, -0.0050580000000000 ] - [ -0.0001455000000000, 0.0000336900000000, 0.0002925800000000 ] - [ 0.0010184000000000, -0.0002562800000000, 0.0000361800000000 ] - [ 0.0001607800000000, -0.0000171400000000, 0.0000038900000000 ] - [ 0.0020330500000000, -0.0017979100000000, -0.0038419100000000 ] - [ 0.1119289500000000, -0.0335512300000000, 0.0304345600000000 ] - [ 0.0009057700000000, 0.0003193300000000, 0.0003536600000000 ] - [ -0.0013223300000000, -0.0002055500000000, -0.0011623000000000 ] - [ 0.0028408800000000, 0.0039689900000000, -0.0061399300000000 ] - [ 0.0068193000000000, 0.0024836100000000, 0.0012945400000000 ] - [ -0.0136576000000000, 0.0101374600000000, 0.0017031900000000 ] - [ 0.0019345600000000, -0.0000820100000000, 0.0018721500000000 ] - [ -0.0021539900000000, -0.0002665700000000, 0.0010024700000000 ] - [ -0.0085655100000000, -0.0051314000000000, 0.0006858700000000 ] - [ -0.0027381100000000, -0.0007277000000000, 0.0072431000000000 ] - [ 0.0014155500000000, -0.0004387700000000, 0.0019358400000000 ] - [ -0.0004686700000000, 0.0003086300000000, 0.0011498500000000 ] - [ -0.0000330100000000, -0.0000269200000000, 0.0002577400000000 ] - [ -0.0000714900000000, -0.0001257500000000, -0.0009881900000000 ] - [ 0.0015587100000000, -0.0002414000000000, 0.0002737200000000 ] - [ -0.0000889900000000, -0.0000212700000000, -0.0003717300000000 ] - [ -0.0000424600000000, -0.0000126700000000, -0.0000054600000000 ] - [ 0.0008799500000000, 0.0001724200000000, 0.0001050800000000 ] - [ 0.0001870100000000, 0.0000001200000000, -0.0000793500000000 ] - [ -0.0001421600000000, 0.0000000200000000, -0.0000679000000000 ] - [ -0.0000437200000000, 0.0000120400000000, -0.0000093600000000 ] - [ -0.0000842000000000, -0.0000006300000000, -0.0000667100000000 ] - [ 0.0001580700000000, 0.0000014600000000, -0.0000947600000000 ] - [ -0.0000090600000000, 0.0000000300000000, -0.0001345600000000 ] - [ -0.0000569200000000, -0.0000417500000000, -0.0002074100000000 ] - [ 0.0000234400000000, 0.0000014100000000, -0.0002163600000000 ] - [ 0.0000049700000000, 0.0000978800000000, -0.0000981300000000 ] - [ 0.0001081500000000, -0.0000054600000000, 0.0000430100000000 ] - [ 0.0000044900000000, 0.0000601100000000, -0.0001392900000000 ] - [ -0.0000372900000000, -0.0000011300000000, -0.0000497000000000 ] - [ -0.0000139100000000, -0.0000982200000000, -0.0000718900000000 ] - [ -0.0000983100000000, -0.0000182500000000, -0.0002403500000000 ] - [ -0.0003589000000000, -0.0000316200000000, 0.0005549400000000 ] - [ -0.0000993600000000, 0.0000016300000000, -0.0001938600000000 ] - [ -0.0001047300000000, -0.0000287100000000, 0.0000462400000000 ] - [ -0.0013477400000000, 0.0000297800000000, 0.0012148400000000 ] - [ -0.0001156300000000, -0.0001506000000000, -0.0007485000000000 ] - [ -0.0006357300000000, 0.0000209200000000, -0.0000311000000000 ] - [ -0.0000945000000000, 0.0000292000000000, 0.0000211900000000 ] - [ -0.0019426100000000, -0.0000437900000000, 0.0009370500000000 ] - [ -0.0054491500000000, 0.0009408500000000, -0.0006549100000000 ] - [ -0.0005012200000000, -0.0000107100000000, -0.0002594000000000 ] - [ -0.0002336900000000, 0.0001777900000000, 0.0066682300000000 ] - [ -0.0019337200000000, 0.0001927300000000, 0.0012288400000000 ] - [ -0.0038156600000000, -0.0006099900000000, -0.0003471800000000 ] - [ -0.0088346000000000, 0.0040603600000000, 0.0016125800000000 ] - [ -0.0013876100000000, 0.0001177400000000, -0.0011756700000000 ] - [ 0.0023050400000000, -0.0035351600000000, -0.0040284600000000 ] - [ -0.0070036100000000, -0.0067302400000000, 0.0015886600000000 ] - [ -0.0017581800000000, 0.0000388400000000, -0.0016776400000000 ] - [ -0.0017903200000000, -0.0000658700000000, -0.0013778700000000 ]- atom: 90 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002769000000000, 0.0000025300000000, -0.0000073200000000 ] - [ -0.0002114100000000, -0.0000155400000000, 0.0000526700000000 ] - [ -0.0000614700000000, -0.0000001100000000, 0.0000822500000000 ] - [ -0.0000877400000000, 0.0000005600000000, 0.0001329900000000 ] - [ -0.0000198800000000, 0.0000020300000000, 0.0000847900000000 ] - [ 0.0000380700000000, 0.0000001300000000, 0.0000948800000000 ] - [ -0.0000989100000000, 0.0000707400000000, -0.0001270800000000 ] - [ 0.0000260700000000, 0.0000270800000000, 0.0002233900000000 ] - [ 0.0031330100000000, 0.0097053400000000, -0.0052119600000000 ] - [ -0.0037259500000000, 0.0099555800000000, 0.0044537200000000 ] - [ 0.0010052200000000, -0.0002726800000000, -0.0014708300000000 ] - [ -0.0000677700000000, 0.0000058000000000, 0.0000240700000000 ] - [ -0.0000585700000000, 0.0000001500000000, 0.0000758800000000 ] - [ -0.0001137800000000, 0.0000002400000000, 0.0001391500000000 ] - [ 0.0000360300000000, 0.0000012000000000, 0.0000675500000000 ] - [ 0.0000396800000000, 0.0000004200000000, 0.0001041900000000 ] - [ 0.0014174000000000, 0.0001463900000000, 0.0006814100000000 ] - [ 0.0000231600000000, 0.0000037000000000, 0.0000050700000000 ] - [ -0.0006385000000000, 0.0000885300000000, -0.0007490100000000 ] - [ 0.0012569700000000, 0.0001285400000000, 0.0006590200000000 ] - [ 0.0000248900000000, -0.0000128100000000, -0.0002381700000000 ] - [ -0.0011037800000000, 0.0000477200000000, -0.0009643500000000 ] - [ 0.0001718000000000, -0.0001183500000000, 0.0001361700000000 ] - [ -0.0001594100000000, 0.0000010600000000, 0.0002399300000000 ] - [ 0.0001397200000000, 0.0001283500000000, 0.0001131100000000 ] - [ -0.0000337900000000, 0.0000850300000000, 0.0001319100000000 ] - [ -0.0001015500000000, -0.0000087500000000, 0.0000529300000000 ] - [ -0.0000657400000000, -0.0000009600000000, 0.0001733200000000 ] - [ -0.0000268800000000, -0.0000875500000000, 0.0001257500000000 ] - [ 0.0001950200000000, -0.0000722400000000, -0.0001140400000000 ] - [ -0.0001558300000000, -0.0000014200000000, 0.0001231200000000 ] - [ 0.0000187100000000, -0.0000671800000000, 0.0000981600000000 ] - [ 0.0000158900000000, 0.0000730300000000, 0.0001637400000000 ] - [ -0.0000693400000000, -0.0000002800000000, 0.0001832300000000 ] - [ -0.0006049400000000, -0.0026475200000000, 0.0003309700000000 ] - [ -0.0313884300000000, 0.0640603000000000, -0.0211057400000000 ] - [ -0.0003152200000000, 0.0025300400000000, 0.0003607400000000 ] - [ 0.0003173900000000, -0.0025552900000000, -0.0009580200000000 ] - [ -0.0001821700000000, -0.0064703900000000, -0.0004462500000000 ] - [ -0.0017093300000000, -0.0005321200000000, -0.0016106800000000 ] - [ 0.0000564100000000, 0.0003191200000000, 0.0023448700000000 ] - [ -0.0002004000000000, 0.0000637000000000, 0.0000215800000000 ] - [ -0.0000703100000000, 0.0000261200000000, 0.0001253000000000 ] - [ -0.0001596900000000, -0.0000004100000000, 0.0002142500000000 ] - [ -0.0000626700000000, -0.0000233600000000, 0.0001346100000000 ] - [ -0.0000266300000000, 0.0000875600000000, 0.0001260200000000 ] - [ 0.0000602300000000, 0.0000015200000000, 0.0001102900000000 ] - [ -0.0000349800000000, -0.0000014500000000, 0.0001699400000000 ] - [ -0.0000337900000000, -0.0000859100000000, 0.0001319800000000 ] - [ -0.0002134300000000, -0.0000115800000000, 0.0000022600000000 ] - [ -0.0001644600000000, -0.0000002800000000, 0.0001707700000000 ] - [ 0.0000111600000000, -0.0000737400000000, 0.0001560800000000 ] - [ 0.0000200000000000, 0.0000670600000000, 0.0000986800000000 ] - [ -0.0000639500000000, -0.0000000500000000, 0.0001668200000000 ] - [ 0.0002409100000000, 0.0001789100000000, -0.0001767400000000 ] - [ 0.0022775100000000, 0.0002709400000000, -0.0010256300000000 ] - [ 0.0002935300000000, -0.0001776200000000, -0.0001465600000000 ] - [ 0.0056565500000000, 0.0096790000000000, 0.0035825700000000 ] - [ 0.0003139300000000, 0.0024430500000000, -0.0007720800000000 ] - [ -0.0013134000000000, -0.0006081600000000, 0.0020709000000000 ] - [ -0.0003284400000000, 0.0009917000000000, -0.0002424200000000 ] - [ -0.0001420700000000, 0.0000126100000000, -0.0000689200000000 ] - [ 0.0000318300000000, -0.0000728600000000, 0.0000059900000000 ] - [ -0.0001871000000000, 0.0000139300000000, 0.0000244800000000 ] - [ -0.0000679000000000, 0.0000018800000000, -0.0000815800000000 ] - [ -0.0000809900000000, 0.0000060300000000, -0.0000453200000000 ] - [ 0.0000138100000000, -0.0000080500000000, -0.0001684200000000 ] - [ -0.0000811000000000, -0.0000087500000000, -0.0000746700000000 ] - [ -0.0001451800000000, -0.0000001100000000, -0.0000458700000000 ] - [ -0.0000800900000000, -0.0000055200000000, -0.0000457800000000 ] - [ -0.0000219600000000, -0.0000004600000000, -0.0000867100000000 ] - [ -0.0000775600000000, 0.0000081900000000, -0.0000772100000000 ] - [ -0.0000131500000000, -0.0000003100000000, -0.0001179800000000 ] - [ -0.0000100700000000, -0.0000518100000000, -0.0001470200000000 ] - [ -0.0000203500000000, -0.0000002400000000, -0.0001552800000000 ] - [ -0.0000016300000000, 0.0001029300000000, -0.0000632600000000 ] - [ 0.0000267500000000, 0.0000129800000000, -0.0002087700000000 ] - [ -0.0000330300000000, 0.0000464100000000, -0.0001614100000000 ] - [ 0.0000075000000000, 0.0000002000000000, -0.0000750900000000 ] - [ -0.0000028200000000, -0.0001016100000000, -0.0000723400000000 ] - [ -0.0000747000000000, 0.0000000900000000, -0.0000116000000000 ] - [ -0.0002347200000000, 0.0007389300000000, -0.0004556700000000 ] - [ -0.0000694200000000, -0.0000005200000000, -0.0002035200000000 ] - [ 0.0000592600000000, 0.0000116600000000, -0.0000057000000000 ] - [ -0.0008674600000000, 0.0020991300000000, -0.0061871200000000 ] - [ 0.0000197300000000, 0.0000577500000000, 0.0000242400000000 ] - [ 0.0005552600000000, -0.0000294700000000, -0.0004220600000000 ] - [ 0.0000538900000000, -0.0000149900000000, 0.0000050000000000 ] - [ 0.0013430100000000, 0.0016893000000000, 0.0049142500000000 ] - [ 0.0326337100000000, -0.1339675000000000, 0.0206971600000000 ] - [ -0.0001427700000000, -0.0000447900000000, 0.0002379000000000 ] - [ -0.0001222800000000, 0.0006951800000000, -0.0000175800000000 ] - [ -0.0028157300000000, 0.0032584300000000, -0.0086358200000000 ] - [ 0.0025211300000000, 0.0296130200000000, 0.0019872600000000 ] - [ -0.0098785300000000, 0.0036772500000000, 0.0005019900000000 ] - [ 0.0001212200000000, 0.0010689600000000, 0.0004971700000000 ] - [ 0.0000579300000000, -0.0000496900000000, -0.0001619100000000 ] - [ 0.0049780700000000, 0.0017390800000000, -0.0001134000000000 ] - [ 0.0003472200000000, -0.0020229500000000, 0.0001862200000000 ] - [ 0.0005239900000000, 0.0010541600000000, -0.0000103100000000 ] - [ 0.0000094800000000, 0.0000980300000000, 0.0000486000000000 ] - [ -0.0000439900000000, -0.0000006300000000, -0.0000076900000000 ] - [ -0.0001965700000000, -0.0007139100000000, -0.0001488800000000 ] - [ 0.0005835000000000, -0.0000538200000000, -0.0004261300000000 ] - [ -0.0000667200000000, -0.0000013600000000, -0.0001112400000000 ] - [ -0.0000706100000000, 0.0000014100000000, -0.0000375800000000 ] - [ -0.0000085400000000, -0.0000036400000000, 0.0000168100000000 ] - [ -0.0000522000000000, 0.0000058800000000, -0.0001027400000000 ] - [ -0.0001468900000000, -0.0000001000000000, -0.0000472100000000 ] - [ -0.0000707500000000, -0.0000017200000000, -0.0000389900000000 ] - [ -0.0000273100000000, -0.0000001300000000, -0.0000762700000000 ] - [ -0.0000557100000000, -0.0000084400000000, -0.0001031800000000 ] - [ -0.0000168500000000, -0.0000003300000000, -0.0001182100000000 ] - [ -0.0000340800000000, -0.0000458800000000, -0.0001625300000000 ] - [ -0.0000157500000000, -0.0000000700000000, -0.0001705100000000 ] - [ -0.0000027100000000, 0.0001012600000000, -0.0000714200000000 ] - [ 0.0001158500000000, 0.0000005200000000, -0.0001142800000000 ] - [ -0.0000106800000000, 0.0000514400000000, -0.0001471300000000 ] - [ -0.0000034300000000, -0.0000000600000000, -0.0000545300000000 ] - [ -0.0000016900000000, -0.0001032300000000, -0.0000642600000000 ] - [ -0.0000968900000000, -0.0000078400000000, -0.0000782200000000 ] - [ 0.0000369100000000, -0.0000587100000000, 0.0000107200000000 ] - [ -0.0000793500000000, -0.0000002700000000, -0.0001786800000000 ] - [ 0.0000116600000000, -0.0000108300000000, 0.0000517900000000 ] - [ -0.0001824200000000, -0.0000364400000000, 0.0007201000000000 ] - [ -0.0001714900000000, -0.0005120000000000, -0.0003007700000000 ] - [ -0.0001718800000000, 0.0000163000000000, 0.0001138300000000 ] - [ 0.0000109800000000, 0.0000101100000000, 0.0000527800000000 ] - [ 0.0002389900000000, -0.0000140700000000, -0.0001682700000000 ] - [ -0.0009009700000000, 0.0014772700000000, -0.0000435200000000 ] - [ -0.0000471600000000, -0.0000129900000000, -0.0000104500000000 ] - [ 0.0002990900000000, -0.0019286500000000, 0.0001773500000000 ] - [ -0.0002638200000000, -0.0000246300000000, 0.0007671400000000 ] - [ -0.0005729900000000, -0.0010033800000000, 0.0000280300000000 ] - [ -0.0062097700000000, 0.0020852100000000, 0.0012372700000000 ] - [ -0.0000374600000000, -0.0006421100000000, 0.0000342100000000 ] - [ 0.0022749700000000, 0.0020810200000000, 0.0045676600000000 ] - [ 0.0043120000000000, 0.0021779500000000, 0.0003027400000000 ] - [ 0.0000334300000000, 0.0010038900000000, 0.0000355900000000 ] - [ 0.0001144900000000, -0.0008009500000000, 0.0000825700000000 ]- atom: 90 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002132300000000, -0.0000107200000000, -0.0001481400000000 ] - [ 0.0000553300000000, 0.0000167400000000, -0.0000861800000000 ] - [ -0.0000561500000000, 0.0000005200000000, -0.0001011500000000 ] - [ -0.0001103800000000, 0.0000000200000000, -0.0000466100000000 ] - [ 0.0000055000000000, -0.0000020900000000, -0.0001160600000000 ] - [ 0.0000325800000000, 0.0000000900000000, -0.0001025500000000 ] - [ 0.0001415200000000, -0.0000622800000000, 0.0001676500000000 ] - [ -0.0000219300000000, -0.0000264700000000, -0.0002861400000000 ] - [ -0.0027327800000000, -0.0091127700000000, 0.0045548900000000 ] - [ 0.0035648400000000, -0.0093565300000000, -0.0038747800000000 ] - [ -0.0009351700000000, 0.0002558700000000, 0.0013277400000000 ] - [ -0.0000878400000000, -0.0000041300000000, -0.0000577600000000 ] - [ -0.0000581700000000, 0.0000004400000000, -0.0000946400000000 ] - [ -0.0000843100000000, 0.0000003800000000, -0.0000530600000000 ] - [ -0.0000503600000000, -0.0000007200000000, -0.0000982000000000 ] - [ 0.0000305300000000, -0.0000000200000000, -0.0001129200000000 ] - [ -0.0013815300000000, -0.0001456000000000, -0.0006476100000000 ] - [ -0.0000209500000000, -0.0000027100000000, -0.0000657200000000 ] - [ 0.0005809700000000, -0.0000884900000000, 0.0006754400000000 ] - [ -0.0010205300000000, -0.0001272000000000, -0.0007057200000000 ] - [ 0.0000952800000000, 0.0000100700000000, 0.0002053200000000 ] - [ 0.0012627400000000, -0.0000468600000000, 0.0009440500000000 ] - [ -0.0001351100000000, -0.0001794700000000, -0.0001646500000000 ] - [ -0.0001530100000000, -0.0000013500000000, -0.0001169800000000 ] - [ -0.0001019200000000, 0.0001694200000000, -0.0001369400000000 ] - [ -0.0000361500000000, 0.0000949600000000, -0.0001533200000000 ] - [ 0.0001032900000000, 0.0000085600000000, -0.0000105200000000 ] - [ -0.0000245500000000, 0.0000007900000000, -0.0001224200000000 ] - [ -0.0000430500000000, -0.0000924300000000, -0.0001471700000000 ] - [ -0.0000933100000000, 0.0000711600000000, -0.0000136100000000 ] - [ -0.0001831000000000, 0.0000012400000000, -0.0001146500000000 ] - [ 0.0000262500000000, -0.0000151500000000, -0.0001218300000000 ] - [ 0.0000296800000000, 0.0000090900000000, -0.0001883000000000 ] - [ -0.0000552100000000, 0.0000003700000000, -0.0001228900000000 ] - [ 0.0008829700000000, 0.0026306900000000, -0.0003763500000000 ] - [ 0.0333926200000000, -0.0673035600000000, 0.0224905600000000 ] - [ 0.0006067400000000, -0.0025138100000000, -0.0003895200000000 ] - [ -0.0002766200000000, 0.0025926200000000, 0.0008847500000000 ] - [ 0.0002931700000000, 0.0064457500000000, 0.0004070700000000 ] - [ 0.0018017700000000, 0.0005367400000000, 0.0015888300000000 ] - [ 0.0000592100000000, -0.0003227900000000, -0.0023934400000000 ] - [ 0.0003662200000000, -0.0000496200000000, -0.0000351100000000 ] - [ 0.0001072800000000, -0.0003237400000000, -0.0001549000000000 ] - [ -0.0001524800000000, 0.0000002400000000, -0.0000915200000000 ] - [ 0.0001012800000000, 0.0003209900000000, -0.0001583700000000 ] - [ -0.0000434000000000, 0.0000923900000000, -0.0001473000000000 ] - [ -0.0000599700000000, -0.0000016300000000, -0.0000683400000000 ] - [ -0.0000555200000000, 0.0000012900000000, -0.0001191700000000 ] - [ -0.0000361500000000, -0.0000941400000000, -0.0001535100000000 ] - [ 0.0003187100000000, 0.0000093900000000, -0.0001266300000000 ] - [ -0.0001746300000000, 0.0000002300000000, -0.0001625300000000 ] - [ 0.0000342600000000, -0.0000084500000000, -0.0001803900000000 ] - [ 0.0000250600000000, 0.0000152700000000, -0.0001225600000000 ] - [ -0.0000603800000000, 0.0000000900000000, -0.0001063700000000 ] - [ 0.0000260400000000, -0.0002061200000000, 0.0001411600000000 ] - [ -0.0023764500000000, -0.0002754100000000, 0.0010161200000000 ] - [ -0.0000245900000000, 0.0002047100000000, 0.0001098300000000 ] - [ -0.0054067000000000, -0.0095738700000000, -0.0035188800000000 ] - [ -0.0002515500000000, -0.0024809600000000, 0.0007042700000000 ] - [ 0.0014217100000000, 0.0005889800000000, -0.0020925800000000 ] - [ 0.0002781200000000, -0.0007197100000000, 0.0002335700000000 ] - [ -0.0000576600000000, -0.0000128200000000, 0.0003576800000000 ] - [ -0.0000825600000000, -0.0001983000000000, -0.0000186000000000 ] - [ 0.0001312200000000, -0.0000139000000000, -0.0000446500000000 ] - [ -0.0000834300000000, -0.0000018200000000, 0.0000059400000000 ] - [ -0.0000436700000000, -0.0000269600000000, 0.0001366200000000 ] - [ 0.0001330300000000, 0.0000081100000000, -0.0000694900000000 ] - [ -0.0000327800000000, 0.0000081500000000, 0.0000521600000000 ] - [ -0.0001579900000000, 0.0000000300000000, 0.0002049100000000 ] - [ -0.0000446800000000, 0.0000264600000000, 0.0001343500000000 ] - [ -0.0000695700000000, 0.0000004700000000, 0.0001086600000000 ] - [ -0.0000359800000000, -0.0000077300000000, 0.0000525900000000 ] - [ -0.0000467300000000, 0.0000001900000000, 0.0000572800000000 ] - [ -0.0000081600000000, -0.0000731500000000, 0.0000139300000000 ] - [ -0.0000233300000000, 0.0000002400000000, 0.0000569000000000 ] - [ 0.0000187300000000, 0.0001182200000000, 0.0000988200000000 ] - [ 0.0001001600000000, -0.0000130100000000, 0.0002376700000000 ] - [ 0.0000149900000000, 0.0000786300000000, 0.0000263200000000 ] - [ -0.0000442700000000, -0.0000001500000000, 0.0001289700000000 ] - [ 0.0000198200000000, -0.0001195700000000, 0.0001059300000000 ] - [ -0.0000918900000000, -0.0000002300000000, 0.0000496500000000 ] - [ 0.0001833700000000, -0.0007170800000000, 0.0003929200000000 ] - [ -0.0000878900000000, 0.0000005000000000, 0.0000475700000000 ] - [ 0.0000129500000000, -0.0000124800000000, 0.0002124700000000 ] - [ 0.0011502200000000, -0.0021067700000000, 0.0062165300000000 ] - [ -0.0000732300000000, -0.0000825500000000, -0.0000931200000000 ] - [ -0.0005402300000000, 0.0000318500000000, 0.0005054100000000 ] - [ 0.0000183000000000, 0.0000156100000000, 0.0001999000000000 ] - [ -0.0012579800000000, -0.0017057300000000, -0.0048832600000000 ] - [ -0.0349661100000000, 0.1360170200000000, -0.0223017900000000 ] - [ 0.0001931100000000, 0.0000423000000000, -0.0002011700000000 ] - [ 0.0003476500000000, -0.0005854000000000, -0.0000233100000000 ] - [ 0.0027633500000000, -0.0033076300000000, 0.0088502800000000 ] - [ -0.0025196500000000, -0.0295887500000000, -0.0020109700000000 ] - [ 0.0101588800000000, -0.0037306300000000, -0.0005885200000000 ] - [ 0.0000889900000000, -0.0011814400000000, -0.0005384700000000 ] - [ -0.0000813600000000, 0.0000463600000000, 0.0003817500000000 ] - [ -0.0049267400000000, -0.0017551100000000, 0.0000897800000000 ] - [ -0.0002869200000000, 0.0020740900000000, -0.0000948200000000 ] - [ -0.0004228600000000, -0.0011101500000000, 0.0000516700000000 ] - [ -0.0000628200000000, 0.0001739000000000, -0.0000546000000000 ] - [ -0.0001556900000000, 0.0000002700000000, 0.0002968000000000 ] - [ 0.0001450800000000, 0.0004419200000000, 0.0001366100000000 ] - [ -0.0006395900000000, 0.0000524500000000, 0.0004058600000000 ] - [ -0.0000844100000000, 0.0000013200000000, 0.0000353700000000 ] - [ -0.0000539200000000, -0.0000220900000000, 0.0001288700000000 ] - [ 0.0001551000000000, 0.0000045600000000, -0.0002533200000000 ] - [ -0.0000613100000000, -0.0000062400000000, 0.0000803600000000 ] - [ -0.0001559300000000, 0.0000000000000000, 0.0002064400000000 ] - [ -0.0000538900000000, 0.0000223600000000, 0.0001276000000000 ] - [ -0.0000641400000000, 0.0000000900000000, 0.0000981600000000 ] - [ -0.0000578100000000, 0.0000086800000000, 0.0000787900000000 ] - [ -0.0000430600000000, 0.0000002000000000, 0.0000575200000000 ] - [ 0.0000161700000000, -0.0000792400000000, 0.0000294600000000 ] - [ -0.0000280800000000, 0.0000000800000000, 0.0000720700000000 ] - [ 0.0000198000000000, 0.0001199000000000, 0.0001071900000000 ] - [ 0.0000102100000000, -0.0000005200000000, 0.0001414200000000 ] - [ -0.0000075700000000, 0.0000733500000000, 0.0000120200000000 ] - [ -0.0000329100000000, 0.0000000700000000, 0.0001082800000000 ] - [ 0.0000186700000000, -0.0001179200000000, 0.0000975800000000 ] - [ -0.0000696100000000, 0.0000076200000000, 0.0001174800000000 ] - [ -0.0000875900000000, 0.0000832200000000, -0.0000809400000000 ] - [ -0.0000776300000000, 0.0000002500000000, 0.0000225900000000 ] - [ 0.0000618800000000, 0.0000103000000000, 0.0001548700000000 ] - [ 0.0004451000000000, 0.0000352300000000, -0.0007830000000000 ] - [ 0.0001201600000000, 0.0004904300000000, 0.0002370300000000 ] - [ 0.0001946800000000, -0.0000164100000000, -0.0000325200000000 ] - [ 0.0000624000000000, -0.0000095000000000, 0.0001519400000000 ] - [ -0.0001486100000000, 0.0000150100000000, 0.0001873200000000 ] - [ 0.0009460200000000, -0.0014457100000000, 0.0000443200000000 ] - [ 0.0001017600000000, 0.0000130600000000, 0.0000499100000000 ] - [ -0.0000578200000000, 0.0020473700000000, -0.0002696200000000 ] - [ 0.0002295000000000, 0.0000267500000000, -0.0005259700000000 ] - [ 0.0006164800000000, 0.0009726200000000, -0.0000284400000000 ] - [ 0.0066240600000000, -0.0020940900000000, -0.0013261600000000 ] - [ 0.0002629000000000, 0.0005317200000000, -0.0000769800000000 ] - [ -0.0023230700000000, -0.0020430700000000, -0.0043600000000000 ] - [ -0.0042985100000000, -0.0021422800000000, -0.0003441900000000 ] - [ 0.0000704300000000, -0.0009544600000000, 0.0000245600000000 ] - [ -0.0000120800000000, 0.0007516200000000, -0.0000264300000000 ]- atom: 90 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0011164400000000, -0.0000752600000000, -0.0000626000000000 ] - [ 0.0002663200000000, 0.0001083400000000, -0.0012569900000000 ] - [ -0.0000564700000000, 0.0000021200000000, -0.0008736700000000 ] - [ -0.0002329400000000, 0.0000106200000000, -0.0008863400000000 ] - [ 0.0000976300000000, -0.0000098200000000, -0.0009262600000000 ] - [ 0.0000205400000000, -0.0000005700000000, -0.0009558700000000 ] - [ 0.0015044400000000, -0.0011324600000000, -0.0005288300000000 ] - [ 0.0000089800000000, -0.0001076400000000, -0.0014461000000000 ] - [ -0.0009002000000000, -0.0036218900000000, 0.0145988300000000 ] - [ 0.0001565200000000, 0.0024497800000000, 0.0146500300000000 ] - [ 0.0025348900000000, -0.0012812300000000, -0.0017337700000000 ] - [ -0.0001035000000000, 0.0000921900000000, -0.0005931300000000 ] - [ -0.0000503400000000, 0.0000014700000000, -0.0008399900000000 ] - [ -0.0000585500000000, 0.0000079900000000, -0.0009366200000000 ] - [ -0.0001457800000000, -0.0000073600000000, -0.0008006200000000 ] - [ -0.0000104300000000, -0.0000014500000000, -0.0009885700000000 ] - [ -0.0024916400000000, -0.0002041900000000, -0.0006564300000000 ] - [ 0.0000544500000000, -0.0000809400000000, -0.0006998600000000 ] - [ -0.0013488200000000, -0.0000068200000000, 0.0018696800000000 ] - [ -0.0008530600000000, -0.0000132200000000, 0.0019684800000000 ] - [ 0.0001853400000000, -0.0002715700000000, 0.0003692700000000 ] - [ -0.0033295200000000, 0.0003790000000000, -0.0018946900000000 ] - [ -0.0009273600000000, -0.0001586700000000, -0.0014014000000000 ] - [ -0.0001287200000000, -0.0000084900000000, -0.0014384500000000 ] - [ -0.0007089900000000, 0.0001411100000000, -0.0012788700000000 ] - [ -0.0000553700000000, 0.0001478800000000, -0.0013558100000000 ] - [ 0.0003081300000000, 0.0000311300000000, -0.0017690300000000 ] - [ 0.0000584200000000, 0.0000023600000000, -0.0013982200000000 ] - [ -0.0000928800000000, -0.0001422400000000, -0.0013191700000000 ] - [ -0.0012008800000000, 0.0002500500000000, -0.0015808300000000 ] - [ -0.0001526300000000, -0.0000248300000000, -0.0012714100000000 ] - [ 0.0000856800000000, 0.0000047000000000, -0.0012352500000000 ] - [ -0.0000830300000000, -0.0000559800000000, -0.0014797300000000 ] - [ -0.0000301500000000, 0.0000007400000000, -0.0014192500000000 ] - [ 0.0029228600000000, 0.0004692700000000, -0.0025240900000000 ] - [ 0.0125293600000000, -0.0231066600000000, 0.0189982800000000 ] - [ 0.0006441700000000, -0.0003826000000000, -0.0058401900000000 ] - [ -0.0003662500000000, 0.0003501100000000, 0.0042288800000000 ] - [ -0.0011234300000000, 0.0005849100000000, 0.0068897100000000 ] - [ -0.0051960300000000, -0.0010182200000000, 0.0023238700000000 ] - [ 0.0002717100000000, -0.0008454800000000, -0.0047395700000000 ] - [ 0.0015999000000000, 0.0014434900000000, -0.0004441800000000 ] - [ 0.0003637900000000, -0.0002507100000000, -0.0014118300000000 ] - [ -0.0000766300000000, -0.0000036800000000, -0.0012827500000000 ] - [ 0.0005349700000000, 0.0002482600000000, -0.0012288600000000 ] - [ -0.0000963200000000, 0.0001419800000000, -0.0013219600000000 ] - [ -0.0002517200000000, 0.0000041800000000, -0.0009198600000000 ] - [ -0.0000538300000000, 0.0000046000000000, -0.0013473700000000 ] - [ -0.0000538700000000, -0.0001479400000000, -0.0013541400000000 ] - [ 0.0011046500000000, 0.0002632600000000, -0.0013933300000000 ] - [ -0.0000913500000000, -0.0000208300000000, -0.0015717600000000 ] - [ -0.0000625800000000, 0.0000569200000000, -0.0014501900000000 ] - [ 0.0000724900000000, -0.0000041900000000, -0.0012518800000000 ] - [ -0.0000323200000000, -0.0000002100000000, -0.0013389500000000 ] - [ -0.0000939300000000, -0.0001479100000000, 0.0004876400000000 ] - [ -0.0020475700000000, -0.0003310400000000, 0.0036108400000000 ] - [ -0.0003219900000000, 0.0001448100000000, 0.0004495200000000 ] - [ 0.0269683300000000, 0.0033910000000000, 0.0303447000000000 ] - [ 0.0009653000000000, -0.0003166800000000, 0.0049883800000000 ] - [ 0.0042048600000000, 0.0029789800000000, 0.0050325800000000 ] - [ 0.0009928600000000, -0.0002247000000000, 0.0020987000000000 ] - [ 0.0000376800000000, -0.0000581500000000, 0.0015241500000000 ] - [ -0.0002195800000000, -0.0001726700000000, 0.0000469600000000 ] - [ 0.0006058400000000, -0.0000158600000000, 0.0003446200000000 ] - [ -0.0003643500000000, 0.0000227900000000, 0.0007336900000000 ] - [ 0.0000873900000000, -0.0001142800000000, 0.0008901600000000 ] - [ 0.0004897900000000, 0.0000223800000000, 0.0003675000000000 ] - [ 0.0000769500000000, 0.0000805900000000, 0.0007057700000000 ] - [ -0.0001981700000000, -0.0000011100000000, 0.0012493900000000 ] - [ 0.0000860000000000, 0.0001123400000000, 0.0008797100000000 ] - [ -0.0002127600000000, -0.0000005900000000, 0.0008953700000000 ] - [ 0.0001077200000000, -0.0000822300000000, 0.0006682800000000 ] - [ -0.0001979000000000, 0.0000009500000000, 0.0008133300000000 ] - [ 0.0000554900000000, -0.0001513700000000, 0.0007476600000000 ] - [ -0.0000782000000000, 0.0000016700000000, 0.0010332300000000 ] - [ 0.0001010200000000, 0.0001944000000000, 0.0008090500000000 ] - [ 0.0001918000000000, -0.0000343100000000, 0.0013551700000000 ] - [ 0.0001573700000000, 0.0001696800000000, 0.0007650700000000 ] - [ -0.0001828600000000, -0.0000024200000000, 0.0009312500000000 ] - [ 0.0001214400000000, -0.0002051000000000, 0.0008486700000000 ] - [ -0.0004334200000000, 0.0000108600000000, 0.0008249900000000 ] - [ 0.0012040400000000, -0.0003851000000000, 0.0020231200000000 ] - [ -0.0001323000000000, 0.0000025500000000, 0.0011370900000000 ] - [ 0.0001026600000000, 0.0000972900000000, 0.0011218000000000 ] - [ 0.0019205000000000, -0.0039834600000000, 0.0064910900000000 ] - [ -0.0004743100000000, -0.0000618000000000, 0.0000945200000000 ] - [ -0.0009321800000000, -0.0002028600000000, 0.0015312700000000 ] - [ 0.0001111900000000, -0.0000871400000000, 0.0010659000000000 ] - [ 0.0028696800000000, 0.0050121500000000, 0.0065799800000000 ] - [ -0.0442681400000000, 0.0259392100000000, -0.0932808300000000 ] - [ -0.0006134400000000, 0.0002335400000000, 0.0016615000000000 ] - [ 0.0014432900000000, 0.0001052300000000, -0.0008472000000000 ] - [ 0.0034090700000000, -0.0085339300000000, 0.0102901300000000 ] - [ -0.0021959900000000, -0.0023671100000000, -0.0070749200000000 ] - [ 0.0035858600000000, -0.0026400600000000, -0.0062984000000000 ] - [ -0.0019927100000000, 0.0004414000000000, -0.0015359900000000 ] - [ -0.0003005500000000, -0.0004209600000000, -0.0014421800000000 ] - [ 0.0017772100000000, 0.0008178100000000, -0.0049247100000000 ] - [ -0.0066497200000000, -0.0007135600000000, 0.0033335100000000 ] - [ -0.0017989300000000, -0.0004719800000000, -0.0015958200000000 ] - [ -0.0005280000000000, 0.0002904000000000, 0.0005894900000000 ] - [ -0.0002755200000000, -0.0000283400000000, 0.0012061700000000 ] - [ 0.0005960200000000, 0.0000144700000000, 0.0014523400000000 ] - [ -0.0010939100000000, -0.0000770500000000, 0.0012683800000000 ] - [ -0.0000786600000000, 0.0000369900000000, 0.0008965400000000 ] - [ 0.0000183100000000, -0.0000977100000000, 0.0008505200000000 ] - [ -0.0004713200000000, 0.0000550600000000, 0.0010361000000000 ] - [ -0.0000681700000000, 0.0000814300000000, 0.0009085200000000 ] - [ -0.0001971700000000, -0.0000007000000000, 0.0012425300000000 ] - [ 0.0000181900000000, 0.0000968600000000, 0.0008433500000000 ] - [ -0.0001855700000000, -0.0000015300000000, 0.0008250400000000 ] - [ -0.0000466600000000, -0.0000828100000000, 0.0008718700000000 ] - [ -0.0001883800000000, 0.0000008300000000, 0.0008086800000000 ] - [ 0.0001589600000000, -0.0001710200000000, 0.0007747200000000 ] - [ -0.0000892000000000, 0.0000009700000000, 0.0011267000000000 ] - [ 0.0001209400000000, 0.0002051000000000, 0.0008514000000000 ] - [ -0.0001378400000000, -0.0000103500000000, 0.0010834700000000 ] - [ 0.0000570900000000, 0.0001514200000000, 0.0007414100000000 ] - [ -0.0001742000000000, -0.0000011100000000, 0.0008277300000000 ] - [ 0.0001014600000000, -0.0001949700000000, 0.0008067400000000 ] - [ 0.0000020100000000, 0.0000333000000000, 0.0009243600000000 ] - [ -0.0008541700000000, 0.0000721000000000, 0.0005091000000000 ] - [ -0.0001449700000000, 0.0000015300000000, 0.0010119300000000 ] - [ 0.0001106800000000, 0.0000530700000000, 0.0007375900000000 ] - [ 0.0000038200000000, 0.0002367700000000, -0.0020295400000000 ] - [ 0.0008224100000000, 0.0002493700000000, 0.0013527400000000 ] - [ 0.0005235700000000, 0.0000086100000000, 0.0000825500000000 ] - [ 0.0001331200000000, -0.0000523500000000, 0.0007017900000000 ] - [ -0.0001971300000000, -0.0002089400000000, -0.0012207400000000 ] - [ 0.0014575000000000, -0.0001635200000000, -0.0015439200000000 ] - [ 0.0003767400000000, -0.0000146700000000, 0.0003089900000000 ] - [ -0.0064556100000000, -0.0003014800000000, 0.0053777300000000 ] - [ 0.0001339900000000, 0.0002602200000000, -0.0015788000000000 ] - [ 0.0009194700000000, 0.0000460700000000, -0.0016663400000000 ] - [ 0.0034956700000000, -0.0011998800000000, -0.0041182900000000 ] - [ 0.0014613100000000, -0.0000386100000000, -0.0007263900000000 ] - [ 0.0031855800000000, 0.0063019300000000, 0.0055150300000000 ] - [ 0.0018437800000000, 0.0021615500000000, -0.0063888100000000 ] - [ 0.0020393200000000, 0.0000637500000000, -0.0008849300000000 ] - [ 0.0017990200000000, -0.0000413100000000, -0.0006003400000000 ]- atom: 90 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0011904100000000, 0.0000689400000000, -0.0001016000000000 ] - [ -0.0004215200000000, -0.0001079900000000, 0.0012260300000000 ] - [ -0.0000543900000000, -0.0000013100000000, 0.0008557000000000 ] - [ 0.0000310700000000, -0.0000099300000000, 0.0009837600000000 ] - [ -0.0001090200000000, 0.0000096700000000, 0.0008961400000000 ] - [ 0.0000535200000000, 0.0000010200000000, 0.0009571100000000 ] - [ -0.0014605300000000, 0.0011287500000000, 0.0005738600000000 ] - [ -0.0000017400000000, 0.0001076200000000, 0.0013845100000000 ] - [ 0.0010957200000000, 0.0040014500000000, -0.0149225000000000 ] - [ -0.0001982800000000, -0.0020108600000000, -0.0143843500000000 ] - [ -0.0024795500000000, 0.0012789200000000, 0.0015801900000000 ] - [ -0.0000496600000000, -0.0000913400000000, 0.0005594400000000 ] - [ -0.0000592600000000, -0.0000005700000000, 0.0008224200000000 ] - [ -0.0001444000000000, -0.0000073400000000, 0.0010332500000000 ] - [ 0.0001364300000000, 0.0000080100000000, 0.0007700800000000 ] - [ 0.0000824200000000, 0.0000019500000000, 0.0009885500000000 ] - [ 0.0025239500000000, 0.0002042300000000, 0.0007008200000000 ] - [ -0.0000494800000000, 0.0000814500000000, 0.0006417400000000 ] - [ 0.0012934700000000, 0.0000075300000000, -0.0019611500000000 ] - [ 0.0011017300000000, 0.0000153200000000, -0.0019966600000000 ] - [ -0.0000496100000000, 0.0002725100000000, -0.0004148700000000 ] - [ 0.0035003000000000, -0.0003845000000000, 0.0018465200000000 ] - [ 0.0009720000000000, -0.0001252600000000, 0.0013834000000000 ] - [ -0.0001767700000000, 0.0000080900000000, 0.0015707200000000 ] - [ 0.0007523600000000, 0.0001431300000000, 0.0012640700000000 ] - [ -0.0000167400000000, 0.0000296600000000, 0.0013371500000000 ] - [ -0.0003154500000000, -0.0000312400000000, 0.0018074200000000 ] - [ -0.0001418000000000, -0.0000028200000000, 0.0014551900000000 ] - [ 0.0000212500000000, -0.0000352100000000, 0.0012998600000000 ] - [ 0.0013059400000000, -0.0002489800000000, 0.0014635600000000 ] - [ -0.0001981900000000, 0.0000252300000000, 0.0012814600000000 ] - [ -0.0000414300000000, -0.0000889000000000, 0.0012128700000000 ] - [ 0.0001264400000000, 0.0001409000000000, 0.0014565700000000 ] - [ -0.0001053700000000, -0.0000000500000000, 0.0014716800000000 ] - [ -0.0026346300000000, -0.0004943600000000, 0.0024915800000000 ] - [ -0.0124302600000000, 0.0227039900000000, -0.0191456700000000 ] - [ -0.0003648800000000, 0.0004068400000000, 0.0057707400000000 ] - [ 0.0004258500000000, -0.0003123300000000, -0.0043402700000000 ] - [ 0.0011770400000000, -0.0006322100000000, -0.0070419600000000 ] - [ 0.0052579900000000, 0.0010057100000000, -0.0023251700000000 ] - [ -0.0001355300000000, 0.0008528300000000, 0.0047133500000000 ] - [ -0.0014486000000000, -0.0014453900000000, 0.0003900700000000 ] - [ -0.0003252200000000, -0.0000326200000000, 0.0013933300000000 ] - [ -0.0002283900000000, 0.0000039200000000, 0.0014137500000000 ] - [ -0.0004968500000000, 0.0000354400000000, 0.0012139500000000 ] - [ 0.0000240500000000, 0.0000356200000000, 0.0013023800000000 ] - [ 0.0002417900000000, -0.0000036900000000, 0.0009612800000000 ] - [ -0.0000290300000000, -0.0000044400000000, 0.0014044900000000 ] - [ -0.0000185400000000, -0.0000293800000000, 0.0013353400000000 ] - [ -0.0009896100000000, -0.0002623100000000, 0.0012771500000000 ] - [ -0.0002599500000000, 0.0000214000000000, 0.0015823800000000 ] - [ 0.0001057600000000, -0.0001417400000000, 0.0014274600000000 ] - [ -0.0000282700000000, 0.0000888100000000, 0.0012291500000000 ] - [ -0.0001021500000000, 0.0000004300000000, 0.0013919700000000 ] - [ 0.0003666500000000, 0.0001208600000000, -0.0005110000000000 ] - [ 0.0019624800000000, 0.0003277900000000, -0.0036026300000000 ] - [ 0.0005939900000000, -0.0001176100000000, -0.0004741900000000 ] - [ -0.0285520500000000, -0.0034865300000000, -0.0312641400000000 ] - [ -0.0008972900000000, 0.0002787700000000, -0.0051020300000000 ] - [ -0.0041060800000000, -0.0029696200000000, -0.0050262700000000 ] - [ -0.0010450500000000, 0.0005109900000000, -0.0021277600000000 ] - [ -0.0002299200000000, 0.0000588500000000, -0.0012413300000000 ] - [ 0.0001748400000000, -0.0001090400000000, -0.0000641600000000 ] - [ -0.0006634700000000, 0.0000165000000000, -0.0003664800000000 ] - [ 0.0001909600000000, -0.0000229500000000, -0.0008181400000000 ] - [ -0.0002094800000000, 0.0000907300000000, -0.0007987900000000 ] - [ -0.0003525100000000, -0.0000227200000000, -0.0006091800000000 ] - [ -0.0001950700000000, -0.0000677900000000, -0.0007311400000000 ] - [ -0.0001025600000000, 0.0000009800000000, -0.0010939000000000 ] - [ -0.0002081400000000, -0.0000885100000000, -0.0007906200000000 ] - [ 0.0001259400000000, 0.0000008000000000, -0.0008721000000000 ] - [ -0.0002258700000000, 0.0000695200000000, -0.0006952200000000 ] - [ 0.0001265000000000, -0.0000007900000000, -0.0008783400000000 ] - [ -0.0000670500000000, 0.0000181800000000, -0.0008759400000000 ] - [ 0.0000231400000000, -0.0000014300000000, -0.0011510500000000 ] - [ -0.0000879800000000, 0.0000266100000000, -0.0007754800000000 ] - [ -0.0000610900000000, 0.0000341000000000, -0.0013320700000000 ] - [ -0.0001687100000000, -0.0000356700000000, -0.0008950300000000 ] - [ 0.0001425500000000, 0.0000023900000000, -0.0008733100000000 ] - [ -0.0001072100000000, -0.0000177100000000, -0.0008165400000000 ] - [ 0.0002688100000000, -0.0000109000000000, -0.0007923500000000 ] - [ -0.0012438700000000, 0.0004037300000000, -0.0020783900000000 ] - [ -0.0000334900000000, -0.0000024200000000, -0.0012967600000000 ] - [ -0.0000376600000000, -0.0001059300000000, -0.0009197700000000 ] - [ -0.0016358800000000, 0.0039410800000000, -0.0064852800000000 ] - [ 0.0004254300000000, 0.0000422200000000, -0.0001626200000000 ] - [ 0.0009450600000000, 0.0002026800000000, -0.0014440500000000 ] - [ -0.0000461800000000, 0.0000958500000000, -0.0008663400000000 ] - [ -0.0027500200000000, -0.0049399600000000, -0.0064889300000000 ] - [ 0.0458084400000000, -0.0262383600000000, 0.0941876600000000 ] - [ 0.0006593900000000, -0.0002332700000000, -0.0016157400000000 ] - [ -0.0012259400000000, -0.0000046700000000, 0.0007892400000000 ] - [ -0.0034770400000000, 0.0086724100000000, -0.0101557300000000 ] - [ 0.0022581900000000, 0.0023047600000000, 0.0070916100000000 ] - [ -0.0032276300000000, 0.0026327500000000, 0.0062558700000000 ] - [ 0.0021985200000000, -0.0005396300000000, 0.0014710300000000 ] - [ 0.0002584000000000, 0.0004233300000000, 0.0016876200000000 ] - [ -0.0017700700000000, -0.0008330100000000, 0.0049041300000000 ] - [ 0.0068110400000000, 0.0007792000000000, -0.0032828600000000 ] - [ 0.0019128400000000, 0.0004106800000000, 0.0016722000000000 ] - [ 0.0004848900000000, -0.0000092700000000, -0.0006073200000000 ] - [ 0.0000839400000000, 0.0000285100000000, -0.0009232000000000 ] - [ -0.0006444300000000, -0.0002982000000000, -0.0014766500000000 ] - [ 0.0010465500000000, 0.0000765500000000, -0.0012964500000000 ] - [ -0.0000953700000000, -0.0000374700000000, -0.0009818400000000 ] - [ -0.0001397600000000, 0.0000726500000000, -0.0007585400000000 ] - [ 0.0006138900000000, -0.0000546000000000, -0.0012804900000000 ] - [ -0.0000489800000000, -0.0000687200000000, -0.0009349800000000 ] - [ -0.0001035900000000, 0.0000009700000000, -0.0010871300000000 ] - [ -0.0001398200000000, -0.0000716000000000, -0.0007540600000000 ] - [ 0.0000959800000000, 0.0000017400000000, -0.0008008600000000 ] - [ -0.0000708300000000, 0.0000703600000000, -0.0009000000000000 ] - [ 0.0001191200000000, -0.0000008200000000, -0.0008733900000000 ] - [ -0.0001703700000000, 0.0000371900000000, -0.0009028300000000 ] - [ 0.0000343100000000, -0.0000008800000000, -0.0012449100000000 ] - [ -0.0001066300000000, 0.0000176600000000, -0.0008168400000000 ] - [ 0.0002678500000000, 0.0000105000000000, -0.0010603900000000 ] - [ -0.0000689300000000, -0.0000177800000000, -0.0008717600000000 ] - [ 0.0001331400000000, 0.0000015100000000, -0.0007695600000000 ] - [ -0.0000883200000000, -0.0000266200000000, -0.0007753400000000 ] - [ -0.0001688700000000, -0.0000328500000000, -0.0008921300000000 ] - [ 0.0008036000000000, -0.0000524400000000, -0.0005728400000000 ] - [ -0.0000194000000000, -0.0000014700000000, -0.0011700900000000 ] - [ -0.0000442900000000, -0.0000590400000000, -0.0005363900000000 ] - [ 0.0002594300000000, -0.0002351100000000, 0.0019623000000000 ] - [ -0.0008658100000000, -0.0002672700000000, -0.0014151700000000 ] - [ -0.0005049900000000, -0.0000080600000000, -0.0000019500000000 ] - [ -0.0000666100000000, 0.0000580800000000, -0.0005028900000000 ] - [ 0.0002896200000000, 0.0002072300000000, 0.0012284400000000 ] - [ -0.0014156800000000, 0.0001926900000000, 0.0015532000000000 ] - [ -0.0003275600000000, 0.0000144700000000, -0.0002726100000000 ] - [ 0.0066030600000000, 0.0004034600000000, -0.0053807100000000 ] - [ -0.0001628400000000, -0.0002616500000000, 0.0018556500000000 ] - [ -0.0008764800000000, -0.0000736100000000, 0.0016747700000000 ] - [ -0.0032013400000000, 0.0012044700000000, 0.0040408800000000 ] - [ -0.0012431600000000, -0.0000607900000000, 0.0006683800000000 ] - [ -0.0032546200000000, -0.0063852600000000, -0.0053391800000000 ] - [ -0.0017751200000000, -0.0021559300000000, 0.0063910500000000 ] - [ -0.0019384900000000, -0.0000027500000000, 0.0009634500000000 ] - [ -0.0016733500000000, -0.0000176800000000, 0.0006903800000000 ]- atom: 91 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0000765100000000, 0.0000000000000000, -0.0000856200000000 ] - [ -0.0000598100000000, 0.0000000000000000, 0.0000247100000000 ] - [ 0.0000264200000000, 0.0000000000000000, -0.0000231700000000 ] - [ -0.0000810200000000, 0.0000000000000000, 0.0001014900000000 ] - [ 0.0016977700000000, 0.0000000000000000, -0.0006028100000000 ] - [ 0.0000819500000000, 0.0000000000000000, 0.0002569700000000 ] - [ 0.0140143400000000, 0.0000000000000000, 0.0025906900000000 ] - [ 0.0020617000000000, 0.0000000000000000, -0.0023359800000000 ] - [ 0.0001542200000000, 0.0000000000000000, 0.0003706700000000 ] - [ 0.0030772400000000, 0.0000000000000000, -0.0000490200000000 ] - [ 0.0001090500000000, 0.0000000000000000, 0.0000382600000000 ] - [ -0.0001049800000000, 0.0000000000000000, 0.0000440500000000 ] - [ -0.0001462100000000, 0.0000000000000000, 0.0000946700000000 ] - [ -0.0001141000000000, 0.0000000000000000, 0.0000984300000000 ] - [ -0.0012910300000000, 0.0000000000000000, -0.0000222800000000 ] - [ -0.0000926400000000, 0.0000000000000000, -0.0001808600000000 ] - [ -0.0025236800000000, 0.0000000000000000, 0.0026648900000000 ] - [ -0.0036464700000000, 0.0000000000000000, 0.0014599300000000 ] - [ -0.0002405000000000, 0.0000000000000000, -0.0002126400000000 ] - [ -0.0009208600000000, 0.0000000000000000, 0.0000516300000000 ] - [ -0.0000166100000000, 0.0000000000000000, 0.0000657900000000 ] - [ 0.0001778300000000, 0.0000000000000000, -0.0000521300000000 ] - [ 0.0000360500000000, -0.0001505900000000, 0.0000387600000000 ] - [ -0.0001186600000000, 0.0000000000000000, 0.0001136100000000 ] - [ 0.0000360500000000, 0.0001505900000000, 0.0000387600000000 ] - [ -0.0001305200000000, 0.0001226200000000, 0.0000092800000000 ] - [ 0.0086536200000000, 0.0000000000000000, 0.0072897300000000 ] - [ 0.0008609400000000, 0.0000000000000000, 0.0000958100000000 ] - [ 0.0000568800000000, -0.0000736900000000, 0.0001293100000000 ] - [ -0.0078790800000000, 0.0000000000000000, -0.0031438000000000 ] - [ -0.0001864300000000, 0.0000000000000000, 0.0001145500000000 ] - [ -0.0006168500000000, 0.0011636700000000, 0.0016896900000000 ] - [ -0.0003060500000000, -0.0000747700000000, -0.0013920900000000 ] - [ 0.0001258200000000, 0.0000000000000000, -0.0003274900000000 ] - [ 0.0196191600000000, 0.0154250400000000, -0.0104408600000000 ] - [ 0.0004032100000000, 0.0000000000000000, 0.0011358100000000 ] - [ 0.0196191600000000, -0.0154250400000000, -0.0104408600000000 ] - [ -0.0004802000000000, -0.0002043500000000, 0.0002506500000000 ] - [ 0.0006435800000000, -0.0001330900000000, -0.0002959000000000 ] - [ -0.0039511000000000, 0.0000000000000000, 0.0015886300000000 ] - [ 0.0001285300000000, 0.0000000000000000, 0.0000619500000000 ] - [ 0.0000269900000000, 0.0000000000000000, 0.0002199300000000 ] - [ 0.0000148800000000, -0.0001442400000000, 0.0000927800000000 ] - [ -0.0001951600000000, 0.0000000000000000, 0.0001777900000000 ] - [ 0.0000148800000000, 0.0001442400000000, 0.0000927800000000 ] - [ 0.0000568800000000, 0.0000736900000000, 0.0001293100000000 ] - [ -0.0028957100000000, 0.0000000000000000, -0.0000127800000000 ] - [ -0.0007571200000000, 0.0000000000000000, 0.0000886600000000 ] - [ -0.0001305200000000, -0.0001226200000000, 0.0000092800000000 ] - [ 0.0029522500000000, 0.0000000000000000, 0.0020157800000000 ] - [ -0.0001570100000000, 0.0000000000000000, 0.0000646700000000 ] - [ -0.0003060500000000, 0.0000747700000000, -0.0013920900000000 ] - [ -0.0006168500000000, -0.0011636700000000, 0.0016896900000000 ] - [ -0.0001895300000000, 0.0000000000000000, 0.0006154000000000 ] - [ -0.0044438100000000, 0.0002402800000000, -0.0017926900000000 ] - [ -0.0005018400000000, 0.0000000000000000, -0.0011448300000000 ] - [ -0.0044438100000000, -0.0002402800000000, -0.0017926900000000 ] - [ 0.0006435800000000, 0.0001330900000000, -0.0002959000000000 ] - [ -0.0004802000000000, 0.0002043500000000, 0.0002506500000000 ] - [ -0.0002853000000000, 0.0000000000000000, -0.0013259000000000 ] - [ -0.0000620200000000, 0.0001481100000000, -0.0000381300000000 ] - [ -0.0001079000000000, 0.0000000000000000, 0.0000884400000000 ] - [ -0.0000032500000000, -0.0001233600000000, -0.0000799400000000 ] - [ 0.0000053400000000, 0.0000000000000000, -0.0000232800000000 ] - [ -0.0000525800000000, 0.0000000000000000, -0.0001021600000000 ] - [ -0.0001044000000000, -0.0000007300000000, 0.0000001200000000 ] - [ 0.0000940200000000, 0.0000000000000000, -0.0001482300000000 ] - [ -0.0000592100000000, -0.0000068800000000, -0.0000626700000000 ] - [ -0.0002708000000000, 0.0000000000000000, -0.0000346400000000 ] - [ -0.0001044000000000, 0.0000007300000000, 0.0000001200000000 ] - [ -0.0000338300000000, 0.0000000000000000, -0.0000007400000000 ] - [ -0.0000592100000000, 0.0000068800000000, -0.0000626700000000 ] - [ -0.0002113200000000, 0.0000000000000000, -0.0000833000000000 ] - [ -0.0007719200000000, -0.0001554200000000, -0.0005045900000000 ] - [ -0.0000321400000000, 0.0000000000000000, -0.0001641500000000 ] - [ -0.0000370300000000, 0.0000582800000000, -0.0001829600000000 ] - [ 0.0009096300000000, 0.0000000000000000, 0.0017505900000000 ] - [ 0.0005400200000000, 0.0001404800000000, 0.0002412900000000 ] - [ -0.0003323400000000, 0.0000000000000000, 0.0005637500000000 ] - [ 0.0000451400000000, -0.0001458700000000, 0.0001387500000000 ] - [ 0.0024445700000000, 0.0000000000000000, -0.0054461500000000 ] - [ 0.0069935900000000, 0.0044160500000000, 0.0008386500000000 ] - [ -0.0001432000000000, 0.0000000000000000, 0.0006996300000000 ] - [ -0.0014045300000000, 0.0010019900000000, 0.0021036000000000 ] - [ -0.0005408200000000, 0.0000000000000000, -0.0015701200000000 ] - [ 0.0085111500000000, -0.0048963400000000, 0.0004527900000000 ] - [ -0.0058709400000000, 0.0000000000000000, 0.0014281500000000 ] - [ -0.0014045300000000, -0.0010019900000000, 0.0021036000000000 ] - [ 0.0032809800000000, 0.0000000000000000, -0.0086417600000000 ] - [ -0.0008590600000000, -0.0001516900000000, -0.0005110200000000 ] - [ -0.0768560400000000, 0.0000000000000000, 0.0098008900000000 ] - [ 0.0019748700000000, 0.0004151800000000, -0.0002649200000000 ] - [ -0.0001676000000000, 0.0000000000000000, 0.0000119500000000 ] - [ -0.0008590600000000, 0.0001516900000000, -0.0005110200000000 ] - [ -0.0001279600000000, 0.0000000000000000, 0.0004788300000000 ] - [ -0.0027061500000000, -0.0029446900000000, 0.0042147900000000 ] - [ 0.0002039400000000, 0.0000000000000000, -0.0000217900000000 ] - [ 0.0005985700000000, 0.0000000000000000, -0.0011453000000000 ] - [ -0.0000002000000000, -0.0000143100000000, -0.0001873400000000 ] - [ -0.0000002000000000, 0.0000143100000000, -0.0001873400000000 ] - [ -0.0000032500000000, 0.0001233600000000, -0.0000799400000000 ] - [ -0.0000870200000000, 0.0000000000000000, 0.0000605400000000 ] - [ -0.0000620200000000, -0.0001481100000000, -0.0000381300000000 ] - [ -0.0000489300000000, 0.0000000000000000, -0.0001019400000000 ] - [ -0.0000809400000000, 0.0000000000000000, -0.0000764000000000 ] - [ -0.0000347400000000, -0.0000127300000000, -0.0000081200000000 ] - [ 0.0000597100000000, 0.0000000000000000, -0.0002036800000000 ] - [ -0.0000655700000000, -0.0000033200000000, -0.0000576600000000 ] - [ -0.0000343400000000, 0.0000000000000000, 0.0000822000000000 ] - [ -0.0000347400000000, 0.0000127300000000, -0.0000081200000000 ] - [ -0.0000410100000000, 0.0000000000000000, -0.0000731200000000 ] - [ -0.0000655700000000, 0.0000033200000000, -0.0000576600000000 ] - [ 0.0002008700000000, 0.0000000000000000, -0.0001292400000000 ] - [ 0.0005400200000000, -0.0001404800000000, 0.0002412900000000 ] - [ 0.0000003500000000, 0.0000000000000000, -0.0000754700000000 ] - [ 0.0000451400000000, 0.0001458700000000, 0.0001387500000000 ] - [ -0.0007236800000000, 0.0000000000000000, -0.0011271800000000 ] - [ -0.0007719200000000, 0.0001554200000000, -0.0005045900000000 ] - [ 0.0003225000000000, 0.0000000000000000, -0.0003780900000000 ] - [ -0.0000370300000000, -0.0000582800000000, -0.0001829600000000 ] - [ 0.0009915400000000, 0.0000000000000000, 0.0012243100000000 ] - [ 0.0085111500000000, 0.0048963400000000, 0.0004527900000000 ] - [ 0.0005073400000000, 0.0000000000000000, -0.0011366900000000 ] - [ 0.0014718700000000, 0.0003146900000000, -0.0002529300000000 ] - [ 0.0016809500000000, 0.0000000000000000, 0.0017504100000000 ] - [ 0.0069935900000000, -0.0044160500000000, 0.0008386500000000 ] - [ 0.0040435400000000, 0.0000000000000000, -0.0004230300000000 ] - [ 0.0014718700000000, -0.0003146900000000, -0.0002529300000000 ] - [ 0.0011569100000000, 0.0000000000000000, 0.0012028400000000 ] - [ 0.0005470700000000, -0.0000580900000000, 0.0002820000000000 ] - [ 0.0038423400000000, 0.0000000000000000, 0.0000041500000000 ] - [ -0.0027061500000000, 0.0029446900000000, 0.0042147900000000 ] - [ 0.0001243600000000, 0.0000000000000000, 0.0000999200000000 ] - [ 0.0005470700000000, 0.0000580900000000, 0.0002820000000000 ] - [ 0.0005098200000000, 0.0000000000000000, -0.0003979700000000 ] - [ 0.0019748700000000, -0.0004151800000000, -0.0002649200000000 ] - [ -0.0002248800000000, 0.0000000000000000, 0.0000657000000000 ] - [ -0.0000318900000000, 0.0000000000000000, 0.0010877400000000 ] - [ 0.0000924400000000, 0.0000615300000000, 0.0001789300000000 ] - [ 0.0000924400000000, -0.0000615300000000, 0.0001789300000000 ]- atom: 91 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0001409500000000, 0.0000000000000000, -0.0000686700000000 ] - [ -0.0000940900000000, 0.0000000000000000, -0.0000578300000000 ] - [ -0.0001441800000000, 0.0000000000000000, 0.0000059900000000 ] - [ -0.0001173400000000, 0.0000000000000000, -0.0000127500000000 ] - [ -0.0017266000000000, 0.0000000000000000, 0.0005800400000000 ] - [ -0.0000131800000000, 0.0000000000000000, -0.0002635200000000 ] - [ -0.0151547900000000, 0.0000000000000000, -0.0034308100000000 ] - [ -0.0020262400000000, 0.0000000000000000, 0.0022568500000000 ] - [ -0.0002005800000000, 0.0000000000000000, -0.0004462500000000 ] - [ -0.0028239700000000, 0.0000000000000000, -0.0000006100000000 ] - [ -0.0000429900000000, 0.0000000000000000, -0.0001929700000000 ] - [ -0.0000496300000000, 0.0000000000000000, -0.0000770000000000 ] - [ 0.0000292500000000, 0.0000000000000000, -0.0001125500000000 ] - [ -0.0000839000000000, 0.0000000000000000, -0.0000100000000000 ] - [ 0.0012780100000000, 0.0000000000000000, -0.0000122400000000 ] - [ 0.0001655400000000, 0.0000000000000000, 0.0001734200000000 ] - [ 0.0025678100000000, 0.0000000000000000, -0.0026099000000000 ] - [ 0.0036620800000000, 0.0000000000000000, -0.0015403400000000 ] - [ 0.0001895600000000, 0.0000000000000000, 0.0001377300000000 ] - [ 0.0011652200000000, 0.0000000000000000, -0.0000910700000000 ] - [ 0.0001344800000000, 0.0000000000000000, -0.0000983100000000 ] - [ -0.0000144800000000, 0.0000000000000000, 0.0000420800000000 ] - [ 0.0000008600000000, -0.0001480200000000, -0.0000630400000000 ] - [ -0.0001932000000000, 0.0000000000000000, 0.0000126100000000 ] - [ 0.0000008600000000, 0.0001480200000000, -0.0000630400000000 ] - [ 0.0000614600000000, 0.0000571200000000, -0.0000290300000000 ] - [ -0.0087742400000000, 0.0000000000000000, -0.0077038300000000 ] - [ -0.0009547900000000, 0.0000000000000000, -0.0000368700000000 ] - [ -0.0001279100000000, -0.0001061400000000, -0.0001485500000000 ] - [ 0.0079354000000000, 0.0000000000000000, 0.0029909200000000 ] - [ -0.0001530200000000, 0.0000000000000000, -0.0001035400000000 ] - [ 0.0006555400000000, -0.0012435500000000, -0.0017168200000000 ] - [ 0.0003723100000000, 0.0001537500000000, 0.0013692300000000 ] - [ -0.0002510300000000, 0.0000000000000000, 0.0003938900000000 ] - [ -0.0193233000000000, -0.0150606800000000, 0.0100902200000000 ] - [ -0.0004804000000000, 0.0000000000000000, -0.0011501700000000 ] - [ -0.0193233000000000, 0.0150606800000000, 0.0100902200000000 ] - [ 0.0005306900000000, 0.0002299300000000, -0.0003330300000000 ] - [ -0.0005927500000000, 0.0001063200000000, 0.0002090900000000 ] - [ 0.0040522000000000, 0.0000000000000000, -0.0016041600000000 ] - [ -0.0000100600000000, 0.0000000000000000, -0.0000955300000000 ] - [ 0.0001367500000000, 0.0000000000000000, -0.0002289400000000 ] - [ 0.0000218300000000, -0.0001543800000000, -0.0001166100000000 ] - [ -0.0001166200000000, 0.0000000000000000, -0.0000519300000000 ] - [ 0.0000218300000000, 0.0001543800000000, -0.0001166100000000 ] - [ -0.0001279100000000, 0.0001061400000000, -0.0001485500000000 ] - [ 0.0029007100000000, 0.0000000000000000, 0.0000384000000000 ] - [ 0.0006685700000000, 0.0000000000000000, -0.0000380000000000 ] - [ 0.0000614600000000, -0.0000571200000000, -0.0000290300000000 ] - [ -0.0028880500000000, 0.0000000000000000, -0.0021493600000000 ] - [ -0.0001821100000000, 0.0000000000000000, -0.0000538400000000 ] - [ 0.0003723100000000, -0.0001537500000000, 0.0013692300000000 ] - [ 0.0006555400000000, 0.0012435500000000, -0.0017168200000000 ] - [ 0.0000641500000000, 0.0000000000000000, -0.0005549100000000 ] - [ 0.0047204000000000, -0.0002684200000000, 0.0017716600000000 ] - [ 0.0004140000000000, 0.0000000000000000, 0.0011382500000000 ] - [ 0.0047204000000000, 0.0002684200000000, 0.0017716600000000 ] - [ -0.0005927500000000, -0.0001063200000000, 0.0002090900000000 ] - [ 0.0005306900000000, -0.0002299300000000, -0.0003330300000000 ] - [ 0.0003576000000000, 0.0000000000000000, 0.0013014700000000 ] - [ 0.0000108800000000, 0.0001218700000000, 0.0000277300000000 ] - [ -0.0000927100000000, 0.0000000000000000, 0.0001970300000000 ] - [ -0.0000478000000000, -0.0001468300000000, 0.0000689600000000 ] - [ -0.0000623600000000, 0.0000000000000000, 0.0000013600000000 ] - [ -0.0000979200000000, 0.0000000000000000, 0.0000245200000000 ] - [ -0.0000201700000000, -0.0000212600000000, 0.0000883100000000 ] - [ 0.0000534100000000, 0.0000000000000000, -0.0000919300000000 ] - [ -0.0000544100000000, 0.0000057600000000, 0.0000374000000000 ] - [ -0.0000321900000000, 0.0000000000000000, 0.0001900900000000 ] - [ -0.0000201700000000, 0.0000212600000000, 0.0000883100000000 ] - [ -0.0000588700000000, 0.0000000000000000, 0.0000211200000000 ] - [ -0.0000544100000000, -0.0000057600000000, 0.0000374000000000 ] - [ 0.0001532500000000, 0.0000000000000000, 0.0000200200000000 ] - [ 0.0007587000000000, 0.0000289900000000, 0.0003692600000000 ] - [ -0.0000110700000000, 0.0000000000000000, 0.0000639100000000 ] - [ 0.0000547100000000, 0.0001620100000000, 0.0002164800000000 ] - [ -0.0007892200000000, 0.0000000000000000, -0.0017108600000000 ] - [ -0.0005601500000000, -0.0000138600000000, -0.0003743300000000 ] - [ 0.0002912200000000, 0.0000000000000000, -0.0005146200000000 ] - [ -0.0000293800000000, -0.0000738700000000, -0.0001067300000000 ] - [ -0.0026012300000000, 0.0000000000000000, 0.0055118600000000 ] - [ -0.0069811000000000, -0.0043215300000000, -0.0009016000000000 ] - [ -0.0000185500000000, 0.0000000000000000, -0.0008664900000000 ] - [ 0.0014556800000000, -0.0010192000000000, -0.0019191900000000 ] - [ 0.0007825400000000, 0.0000000000000000, 0.0015157200000000 ] - [ -0.0086503500000000, 0.0049346600000000, -0.0005218900000000 ] - [ 0.0058961600000000, 0.0000000000000000, -0.0013470600000000 ] - [ 0.0014556800000000, 0.0010192000000000, -0.0019191900000000 ] - [ -0.0031898500000000, 0.0000000000000000, 0.0085778300000000 ] - [ 0.0008948400000000, 0.0001842700000000, 0.0005129100000000 ] - [ 0.0782218000000000, 0.0000000000000000, -0.0076960400000000 ] - [ -0.0017542100000000, -0.0003032700000000, 0.0002154600000000 ] - [ 0.0001313400000000, 0.0000000000000000, 0.0002355800000000 ] - [ 0.0008948400000000, -0.0001842700000000, 0.0005129100000000 ] - [ 0.0004538000000000, 0.0000000000000000, -0.0005565500000000 ] - [ 0.0029544900000000, 0.0028242800000000, -0.0042470300000000 ] - [ -0.0002252600000000, 0.0000000000000000, 0.0002432800000000 ] - [ -0.0005604900000000, 0.0000000000000000, 0.0011249200000000 ] - [ 0.0000986100000000, 0.0000649200000000, 0.0002426600000000 ] - [ 0.0000986100000000, -0.0000649200000000, 0.0002426600000000 ] - [ -0.0000478000000000, 0.0001468300000000, 0.0000689600000000 ] - [ -0.0001134600000000, 0.0000000000000000, 0.0002249400000000 ] - [ 0.0000108800000000, -0.0001218700000000, 0.0000277300000000 ] - [ -0.0000087500000000, 0.0000000000000000, 0.0000799700000000 ] - [ -0.0000695800000000, 0.0000000000000000, -0.0000011800000000 ] - [ -0.0000899300000000, -0.0000093200000000, 0.0000967800000000 ] - [ 0.0000880900000000, 0.0000000000000000, -0.0000369300000000 ] - [ -0.0000483400000000, 0.0000023700000000, 0.0000323500000000 ] - [ -0.0002692500000000, 0.0000000000000000, 0.0000751900000000 ] - [ -0.0000899300000000, 0.0000093200000000, 0.0000967800000000 ] - [ -0.0000511500000000, 0.0000000000000000, 0.0000935000000000 ] - [ -0.0000483400000000, -0.0000023700000000, 0.0000323500000000 ] - [ -0.0002607800000000, 0.0000000000000000, 0.0000676500000000 ] - [ -0.0005601500000000, 0.0000138600000000, -0.0003743300000000 ] - [ -0.0000443300000000, 0.0000000000000000, -0.0000251500000000 ] - [ -0.0000293800000000, 0.0000738700000000, -0.0001067300000000 ] - [ 0.0008582200000000, 0.0000000000000000, 0.0011603200000000 ] - [ 0.0007587000000000, -0.0000289900000000, 0.0003692600000000 ] - [ -0.0003584600000000, 0.0000000000000000, 0.0004328000000000 ] - [ 0.0000547100000000, -0.0001620100000000, 0.0002164800000000 ] - [ -0.0011695500000000, 0.0000000000000000, -0.0011748300000000 ] - [ -0.0086503500000000, -0.0049346600000000, -0.0005218900000000 ] - [ -0.0006638900000000, 0.0000000000000000, 0.0009834900000000 ] - [ -0.0013985400000000, -0.0003149200000000, 0.0004653800000000 ] - [ -0.0014187800000000, 0.0000000000000000, -0.0018268300000000 ] - [ -0.0069811000000000, 0.0043215300000000, -0.0009016000000000 ] - [ -0.0040243300000000, 0.0000000000000000, 0.0005053200000000 ] - [ -0.0013985400000000, 0.0003149200000000, 0.0004653800000000 ] - [ -0.0010605100000000, 0.0000000000000000, -0.0011960700000000 ] - [ -0.0005081400000000, 0.0000918800000000, -0.0002836200000000 ] - [ -0.0037950500000000, 0.0000000000000000, 0.0000383100000000 ] - [ 0.0029544900000000, -0.0028242800000000, -0.0042470300000000 ] - [ -0.0001599900000000, 0.0000000000000000, 0.0001461000000000 ] - [ -0.0005081400000000, -0.0000918800000000, -0.0002836200000000 ] - [ -0.0001889500000000, 0.0000000000000000, 0.0003165700000000 ] - [ -0.0017542100000000, 0.0003032700000000, 0.0002154600000000 ] - [ 0.0002027500000000, 0.0000000000000000, 0.0001574000000000 ] - [ 0.0000727100000000, 0.0000000000000000, -0.0010997100000000 ] - [ 0.0000076800000000, -0.0000105000000000, -0.0001225200000000 ] - [ 0.0000076800000000, 0.0000105000000000, -0.0001225200000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000332700000000, -0.0000290300000000, -0.0000776000000000 ] - [ -0.0000786600000000, 0.0000022600000000, -0.0000157400000000 ] - [ -0.0000589400000000, -0.0000101900000000, -0.0000088500000000 ] - [ -0.0000994600000000, 0.0000000900000000, 0.0000442000000000 ] - [ -0.0000105800000000, -0.0013064100000000, -0.0000163200000000 ] - [ 0.0000347500000000, -0.0000437600000000, -0.0000029900000000 ] - [ 0.0000604200000000, 0.0079356000000000, 0.0000351600000000 ] - [ -0.0000112600000000, -0.0038200400000000, -0.0000431300000000 ] - [ -0.0000254500000000, 0.0001053500000000, -0.0000388200000000 ] - [ 0.0001170200000000, 0.0023889600000000, -0.0000232500000000 ] - [ 0.0000332000000000, -0.0000203200000000, -0.0000778700000000 ] - [ -0.0000788200000000, 0.0000013800000000, -0.0000158100000000 ] - [ -0.0000586300000000, -0.0000042500000000, -0.0000087400000000 ] - [ -0.0000995000000000, -0.0000002800000000, 0.0000440700000000 ] - [ -0.0000083700000000, 0.0000245700000000, -0.0000159300000000 ] - [ 0.0000350100000000, -0.0000209900000000, -0.0000039300000000 ] - [ 0.0000199300000000, -0.0022699800000000, 0.0000211200000000 ] - [ -0.0000051600000000, 0.0012077300000000, -0.0000343600000000 ] - [ -0.0000249700000000, 0.0000227000000000, -0.0000378400000000 ] - [ 0.0001222900000000, -0.0000708800000000, -0.0000212800000000 ] - [ 0.0000590800000000, 0.0000002700000000, -0.0000171500000000 ] - [ 0.0000819300000000, 0.0000307000000000, -0.0000064800000000 ] - [ 0.0000175600000000, -0.0001483500000000, -0.0000149700000000 ] - [ -0.0001559100000000, 0.0000012100000000, 0.0000636700000000 ] - [ 0.0000207900000000, 0.0001483900000000, -0.0000084300000000 ] - [ -0.0000244400000000, 0.0000908100000000, -0.0000026700000000 ] - [ 0.0000070200000000, 0.0063869800000000, -0.0002155500000000 ] - [ -0.0000440200000000, 0.0001565800000000, 0.0000288700000000 ] - [ -0.0000399600000000, -0.0000899200000000, -0.0000140800000000 ] - [ 0.0000543900000000, 0.0048781100000000, -0.0000641900000000 ] - [ -0.0001699400000000, -0.0000005600000000, 0.0000055700000000 ] - [ 0.0000533400000000, 0.0000284200000000, -0.0000569100000000 ] - [ -0.0012647500000000, 0.0002032100000000, -0.0009368500000000 ] - [ -0.0000626700000000, 0.0000789700000000, 0.0000311100000000 ] - [ 0.0147792100000000, 0.0266844800000000, -0.0161284400000000 ] - [ -0.0000407900000000, -0.0003414600000000, -0.0000051600000000 ] - [ -0.0135903400000000, 0.0254852900000000, 0.0149885800000000 ] - [ 0.0000186400000000, 0.0000125600000000, -0.0000306300000000 ] - [ 0.0001432700000000, -0.0000208500000000, 0.0002133800000000 ] - [ 0.0000573700000000, -0.0000320200000000, -0.0000102900000000 ] - [ 0.0000588500000000, -0.0000029400000000, -0.0000172500000000 ] - [ 0.0000820300000000, 0.0000144200000000, -0.0000067400000000 ] - [ 0.0000184400000000, -0.0001482400000000, -0.0000135700000000 ] - [ -0.0001559300000000, 0.0000018100000000, 0.0000636700000000 ] - [ 0.0000199400000000, 0.0001485400000000, -0.0000098900000000 ] - [ -0.0000304100000000, 0.0000900100000000, -0.0000050800000000 ] - [ -0.0000005200000000, -0.0003869000000000, 0.0000185000000000 ] - [ -0.0000452400000000, 0.0000079500000000, 0.0000260800000000 ] - [ -0.0000458700000000, -0.0000894200000000, -0.0000169200000000 ] - [ 0.0000930100000000, -0.0063745200000000, -0.0000750500000000 ] - [ -0.0001698500000000, 0.0000004500000000, 0.0000054900000000 ] - [ 0.0013150400000000, 0.0001225200000000, 0.0009125200000000 ] - [ -0.0000123300000000, 0.0000940300000000, 0.0000348900000000 ] - [ -0.0000628000000000, 0.0000149400000000, 0.0000319100000000 ] - [ -0.0007903200000000, 0.0000135100000000, -0.0008398000000000 ] - [ -0.0000397300000000, 0.0002812900000000, -0.0000053200000000 ] - [ 0.0010622200000000, 0.0000386300000000, 0.0008098300000000 ] - [ -0.0000940900000000, 0.0000066900000000, -0.0002975500000000 ] - [ 0.0000326500000000, -0.0000157700000000, -0.0000543800000000 ] - [ 0.0000465400000000, -0.0059123400000000, -0.0000070600000000 ] - [ -0.0000280000000000, 0.0001363200000000, -0.0000009300000000 ] - [ -0.0000996900000000, -0.0000004100000000, 0.0001439600000000 ] - [ -0.0000232900000000, -0.0001350300000000, -0.0000088800000000 ] - [ -0.0000286100000000, -0.0000058700000000, -0.0000109400000000 ] - [ -0.0000766200000000, 0.0000001700000000, -0.0000389600000000 ] - [ -0.0000637600000000, -0.0000103600000000, 0.0000463400000000 ] - [ 0.0000734200000000, 0.0000048500000000, -0.0001203000000000 ] - [ -0.0000568800000000, 0.0000004000000000, -0.0000111600000000 ] - [ -0.0001513600000000, 0.0000005500000000, 0.0000790900000000 ] - [ -0.0000611700000000, 0.0000102700000000, 0.0000423400000000 ] - [ -0.0000453500000000, -0.0000044500000000, 0.0000106700000000 ] - [ -0.0000569100000000, -0.0000007200000000, -0.0000137500000000 ] - [ -0.0000311500000000, -0.0000050200000000, -0.0000315100000000 ] - [ -0.0001965200000000, -0.0000672000000000, 0.0000409000000000 ] - [ -0.0000228900000000, 0.0000017000000000, -0.0000511200000000 ] - [ 0.0000027800000000, 0.0001112300000000, 0.0000285600000000 ] - [ 0.0000637000000000, -0.0007612300000000, 0.0000176500000000 ] - [ -0.0000395200000000, 0.0000564300000000, -0.0000858500000000 ] - [ -0.0000187300000000, -0.0004431400000000, 0.0000274100000000 ] - [ -0.0000118600000000, -0.0000980700000000, -0.0000157400000000 ] - [ -0.0000672200000000, -0.0015070600000000, 0.0000013400000000 ] - [ 0.0067872700000000, 0.0021117500000000, 0.0012352900000000 ] - [ -0.0000805300000000, 0.0007141600000000, -0.0000798900000000 ] - [ 0.0019636600000000, 0.0020670900000000, 0.0038060300000000 ] - [ 0.0001217500000000, 0.0018651500000000, -0.0000217200000000 ] - [ -0.0051625200000000, 0.0017225700000000, -0.0001004400000000 ] - [ 0.0000060100000000, 0.0229030700000000, 0.0000574900000000 ] - [ -0.0018892800000000, 0.0020806600000000, -0.0035815900000000 ] - [ 0.0000329000000000, -0.0052902100000000, 0.0000171600000000 ] - [ -0.0002995800000000, -0.0000255800000000, 0.0002837600000000 ] - [ -0.0009473800000000, -0.0936584100000000, 0.0013644300000000 ] - [ 0.0003001900000000, 0.0000318100000000, -0.0003278500000000 ] - [ -0.0000171200000000, -0.0000008100000000, 0.0001242100000000 ] - [ 0.0003398200000000, -0.0000615000000000, -0.0002808200000000 ] - [ 0.0001619200000000, -0.0006629100000000, -0.0000412400000000 ] - [ -0.0042119900000000, 0.0035698500000000, -0.0087597700000000 ] - [ -0.0000117800000000, -0.0000081000000000, 0.0001118600000000 ] - [ 0.0000178900000000, 0.0000228500000000, -0.0000069900000000 ] - [ 0.0000316500000000, 0.0000211000000000, 0.0000521400000000 ] - [ 0.0000675700000000, -0.0000305700000000, 0.0000046300000000 ] - [ -0.0000273900000000, 0.0001364200000000, -0.0000025500000000 ] - [ -0.0000995900000000, -0.0000005300000000, 0.0001440300000000 ] - [ -0.0000226700000000, -0.0001348800000000, -0.0000104600000000 ] - [ -0.0000285600000000, -0.0000021000000000, -0.0000108500000000 ] - [ -0.0000766600000000, -0.0000000200000000, -0.0000389900000000 ] - [ -0.0000626600000000, -0.0000105400000000, 0.0000463700000000 ] - [ 0.0000734900000000, 0.0000013200000000, -0.0001202700000000 ] - [ -0.0000569400000000, 0.0000005800000000, -0.0000110000000000 ] - [ -0.0001510700000000, -0.0000056100000000, 0.0000796500000000 ] - [ -0.0000621900000000, 0.0000098900000000, 0.0000422500000000 ] - [ -0.0000452800000000, -0.0000013900000000, 0.0000105300000000 ] - [ -0.0000568400000000, -0.0000007200000000, -0.0000138100000000 ] - [ -0.0000306200000000, 0.0000053100000000, -0.0000314800000000 ] - [ 0.0000211400000000, -0.0000678700000000, -0.0000483100000000 ] - [ -0.0000230000000000, 0.0000063300000000, -0.0000510900000000 ] - [ 0.0000283800000000, 0.0001242400000000, 0.0000495600000000 ] - [ 0.0000603600000000, 0.0004062400000000, 0.0000222100000000 ] - [ 0.0001774300000000, 0.0000596800000000, -0.0001770300000000 ] - [ -0.0000179300000000, 0.0000188300000000, 0.0000276600000000 ] - [ 0.0000139900000000, -0.0001106700000000, 0.0000046000000000 ] - [ -0.0000851400000000, 0.0009608700000000, 0.0000206700000000 ] - [ 0.0050804800000000, 0.0017687900000000, 0.0000307300000000 ] - [ -0.0000773700000000, 0.0000222400000000, -0.0000818100000000 ] - [ 0.0000736300000000, -0.0000290500000000, -0.0001367700000000 ] - [ 0.0001317900000000, -0.0008463300000000, -0.0000316200000000 ] - [ -0.0067709400000000, 0.0020913100000000, -0.0012841800000000 ] - [ 0.0000116700000000, -0.0010936800000000, 0.0000405100000000 ] - [ 0.0000028800000000, -0.0000323600000000, 0.0003458300000000 ] - [ 0.0000416600000000, 0.0009729000000000, 0.0000093200000000 ] - [ 0.0000294600000000, 0.0000042100000000, -0.0000154500000000 ] - [ 0.0000264700000000, 0.0011991800000000, 0.0000189900000000 ] - [ 0.0043946100000000, 0.0037089900000000, 0.0086504900000000 ] - [ -0.0000173000000000, 0.0000034900000000, 0.0001241200000000 ] - [ 0.0000082100000000, -0.0000302500000000, 0.0000165200000000 ] - [ 0.0001618300000000, 0.0000207000000000, -0.0000400800000000 ] - [ -0.0000808300000000, -0.0000801500000000, 0.0002812800000000 ] - [ -0.0000114200000000, 0.0000023600000000, 0.0001118200000000 ] - [ 0.0000195500000000, 0.0007130400000000, -0.0000090600000000 ] - [ 0.0000792100000000, 0.0000277700000000, 0.0000905400000000 ] - [ 0.0000198600000000, -0.0000238900000000, -0.0000344300000000 ]- atom: 91 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0001397000000000, 0.0000000000000000, -0.0012832000000000 ] - [ 0.0000673100000000, 0.0000000000000000, -0.0012251900000000 ] - [ -0.0000520800000000, 0.0000000000000000, -0.0012583400000000 ] - [ -0.0001326400000000, 0.0000000000000000, -0.0013050800000000 ] - [ 0.0032432400000000, 0.0000000000000000, -0.0023446300000000 ] - [ 0.0005362600000000, 0.0000000000000000, -0.0013313800000000 ] - [ 0.0067412300000000, 0.0000000000000000, 0.0161411400000000 ] - [ -0.0019956900000000, 0.0000000000000000, 0.0068523200000000 ] - [ 0.0003200800000000, 0.0000000000000000, -0.0014874400000000 ] - [ 0.0005811600000000, 0.0000000000000000, -0.0039570700000000 ] - [ 0.0002894600000000, 0.0000000000000000, -0.0013482000000000 ] - [ 0.0000116900000000, 0.0000000000000000, -0.0011694500000000 ] - [ 0.0000121300000000, 0.0000000000000000, -0.0010996900000000 ] - [ -0.0001605700000000, 0.0000000000000000, -0.0012616200000000 ] - [ -0.0000939300000000, 0.0000000000000000, 0.0003587500000000 ] - [ -0.0005705500000000, 0.0000000000000000, -0.0011307400000000 ] - [ 0.0005639000000000, 0.0000000000000000, 0.0032005200000000 ] - [ 0.0019355300000000, 0.0000000000000000, 0.0046275300000000 ] - [ -0.0009393000000000, 0.0000000000000000, -0.0010610400000000 ] - [ -0.0001504900000000, 0.0000000000000000, -0.0000285700000000 ] - [ 0.0000458300000000, 0.0000000000000000, -0.0017060200000000 ] - [ -0.0000769200000000, 0.0000000000000000, -0.0023234600000000 ] - [ -0.0001574600000000, -0.0002107600000000, -0.0018985100000000 ] - [ -0.0001284400000000, 0.0000000000000000, -0.0019425200000000 ] - [ -0.0001574600000000, 0.0002107600000000, -0.0018985100000000 ] - [ -0.0002986200000000, 0.0000992900000000, -0.0017616900000000 ] - [ 0.0070399700000000, 0.0000000000000000, 0.0928421600000000 ] - [ 0.0003140400000000, 0.0000000000000000, -0.0032236300000000 ] - [ 0.0000583200000000, -0.0001321100000000, -0.0019239000000000 ] - [ -0.0026267900000000, 0.0000000000000000, 0.0055408100000000 ] - [ -0.0001090700000000, 0.0000000000000000, -0.0019412900000000 ] - [ 0.0023832200000000, -0.0028710900000000, -0.0010508000000000 ] - [ -0.0049965500000000, 0.0006427800000000, -0.0016639600000000 ] - [ -0.0001366100000000, 0.0000000000000000, -0.0026791300000000 ] - [ -0.0057268300000000, -0.0135545900000000, 0.0235239600000000 ] - [ 0.0016678300000000, 0.0000000000000000, -0.0009341000000000 ] - [ -0.0057268300000000, 0.0135545900000000, 0.0235239600000000 ] - [ 0.0002202600000000, 0.0003229900000000, -0.0013773600000000 ] - [ 0.0001661400000000, -0.0005531400000000, -0.0026614100000000 ] - [ 0.0052976000000000, 0.0000000000000000, 0.0001231300000000 ] - [ 0.0001940700000000, 0.0000000000000000, -0.0020213700000000 ] - [ 0.0000807700000000, 0.0000000000000000, -0.0019663400000000 ] - [ -0.0000872200000000, -0.0002177200000000, -0.0018261200000000 ] - [ -0.0000634600000000, 0.0000000000000000, -0.0018461200000000 ] - [ -0.0000872200000000, 0.0002177200000000, -0.0018261200000000 ] - [ 0.0000583200000000, 0.0001321100000000, -0.0019239000000000 ] - [ -0.0008981700000000, 0.0000000000000000, 0.0043574900000000 ] - [ -0.0002784100000000, 0.0000000000000000, -0.0011034000000000 ] - [ -0.0002986200000000, -0.0000992900000000, -0.0017616900000000 ] - [ 0.0008855300000000, 0.0000000000000000, 0.0070833300000000 ] - [ -0.0001152200000000, 0.0000000000000000, -0.0019726900000000 ] - [ -0.0049965500000000, -0.0006427800000000, -0.0016639600000000 ] - [ 0.0023832200000000, 0.0028710900000000, -0.0010508000000000 ] - [ 0.0001108600000000, 0.0000000000000000, -0.0017489400000000 ] - [ -0.0006814500000000, 0.0000997200000000, 0.0043975100000000 ] - [ -0.0015340100000000, 0.0000000000000000, -0.0002591700000000 ] - [ -0.0006814500000000, -0.0000997200000000, 0.0043975100000000 ] - [ 0.0001661400000000, 0.0005531400000000, -0.0026614100000000 ] - [ 0.0002202600000000, -0.0003229900000000, -0.0013773600000000 ] - [ -0.0052490100000000, 0.0000000000000000, -0.0008832700000000 ] - [ 0.0001039600000000, 0.0001062300000000, 0.0012866100000000 ] - [ -0.0001520800000000, 0.0000000000000000, 0.0018034500000000 ] - [ 0.0000751500000000, -0.0001131100000000, 0.0011415500000000 ] - [ -0.0000576800000000, 0.0000000000000000, 0.0012859200000000 ] - [ -0.0002718500000000, 0.0000000000000000, 0.0011004300000000 ] - [ 0.0000980400000000, -0.0001366300000000, 0.0012194600000000 ] - [ 0.0000880800000000, 0.0000000000000000, 0.0012151700000000 ] - [ 0.0000765200000000, 0.0000952400000000, 0.0011115400000000 ] - [ -0.0002801600000000, 0.0000000000000000, 0.0018391100000000 ] - [ 0.0000980400000000, 0.0001366300000000, 0.0012194600000000 ] - [ -0.0001919800000000, 0.0000000000000000, 0.0011727900000000 ] - [ 0.0000765200000000, -0.0000952400000000, 0.0011115400000000 ] - [ -0.0004140400000000, 0.0000000000000000, 0.0013578300000000 ] - [ -0.0006463000000000, 0.0002763900000000, 0.0013339300000000 ] - [ -0.0001393700000000, 0.0000000000000000, 0.0015453000000000 ] - [ -0.0000226400000000, 0.0002307000000000, 0.0010542700000000 ] - [ 0.0019060500000000, 0.0000000000000000, -0.0024463000000000 ] - [ 0.0005094900000000, 0.0000993500000000, 0.0002949600000000 ] - [ 0.0007044100000000, 0.0000000000000000, 0.0016602200000000 ] - [ 0.0004128100000000, -0.0003397500000000, 0.0013109700000000 ] - [ -0.0093260800000000, 0.0000000000000000, 0.0058681400000000 ] - [ -0.0004641800000000, 0.0009617000000000, -0.0060396100000000 ] - [ 0.0009939700000000, 0.0000000000000000, 0.0034552000000000 ] - [ 0.0047878800000000, 0.0063103500000000, 0.0061904400000000 ] - [ -0.0014987100000000, 0.0000000000000000, -0.0018917500000000 ] - [ 0.0003796800000000, -0.0005486600000000, -0.0048538400000000 ] - [ 0.0006373800000000, 0.0000000000000000, -0.0082685100000000 ] - [ 0.0047878800000000, -0.0063103500000000, 0.0061904400000000 ] - [ -0.0113994500000000, 0.0000000000000000, 0.0079290400000000 ] - [ -0.0004375500000000, 0.0002098400000000, 0.0016154400000000 ] - [ -0.0020417100000000, 0.0000000000000000, -0.1828455000000000 ] - [ -0.0008052600000000, -0.0005829100000000, -0.0016104200000000 ] - [ -0.0001546800000000, 0.0000000000000000, 0.0018114400000000 ] - [ -0.0004375500000000, -0.0002098400000000, 0.0016154400000000 ] - [ 0.0008353300000000, 0.0000000000000000, 0.0015805700000000 ] - [ 0.0060607000000000, -0.0093441200000000, 0.0099149500000000 ] - [ -0.0000946700000000, 0.0000000000000000, 0.0011740600000000 ] - [ -0.0009567900000000, 0.0000000000000000, 0.0015793400000000 ] - [ -0.0000470200000000, 0.0000465500000000, 0.0011341700000000 ] - [ -0.0000470200000000, -0.0000465500000000, 0.0011341700000000 ] - [ 0.0000751500000000, 0.0001131100000000, 0.0011415500000000 ] - [ -0.0001726300000000, 0.0000000000000000, 0.0017297900000000 ] - [ 0.0001039600000000, -0.0001062300000000, 0.0012866100000000 ] - [ -0.0002311000000000, 0.0000000000000000, 0.0012667000000000 ] - [ -0.0002580400000000, 0.0000000000000000, 0.0011510400000000 ] - [ 0.0000677300000000, -0.0001153700000000, 0.0011125100000000 ] - [ -0.0000090800000000, 0.0000000000000000, 0.0011903700000000 ] - [ 0.0000663600000000, 0.0000977500000000, 0.0011104500000000 ] - [ -0.0001305200000000, 0.0000000000000000, 0.0013031100000000 ] - [ 0.0000677300000000, 0.0001153700000000, 0.0011125100000000 ] - [ -0.0003072600000000, 0.0000000000000000, 0.0011823800000000 ] - [ 0.0000663600000000, -0.0000977500000000, 0.0011104500000000 ] - [ -0.0001977100000000, 0.0000000000000000, 0.0009852600000000 ] - [ 0.0005094900000000, -0.0000993500000000, 0.0002949600000000 ] - [ -0.0000418400000000, 0.0000000000000000, 0.0015882500000000 ] - [ 0.0004128100000000, 0.0003397500000000, 0.0013109700000000 ] - [ -0.0011779000000000, 0.0000000000000000, -0.0027577400000000 ] - [ -0.0006463000000000, -0.0002763900000000, 0.0013339300000000 ] - [ -0.0004679500000000, 0.0000000000000000, 0.0003008200000000 ] - [ -0.0000226400000000, -0.0002307000000000, 0.0010542700000000 ] - [ 0.0028617700000000, 0.0000000000000000, -0.0021559600000000 ] - [ 0.0003796800000000, 0.0005486600000000, -0.0048538400000000 ] - [ -0.0011265700000000, 0.0000000000000000, 0.0014947800000000 ] - [ -0.0009528200000000, -0.0006759200000000, -0.0017513200000000 ] - [ 0.0021192600000000, 0.0000000000000000, -0.0017777800000000 ] - [ -0.0004641800000000, -0.0009617000000000, -0.0060396100000000 ] - [ 0.0007863400000000, 0.0000000000000000, -0.0026779600000000 ] - [ -0.0009528200000000, 0.0006759200000000, -0.0017513200000000 ] - [ 0.0029791600000000, 0.0000000000000000, -0.0021401600000000 ] - [ 0.0003720700000000, -0.0000242800000000, 0.0002936800000000 ] - [ 0.0005594800000000, 0.0000000000000000, -0.0038589400000000 ] - [ 0.0060607000000000, 0.0093441200000000, 0.0099149500000000 ] - [ 0.0000034900000000, 0.0000000000000000, 0.0012965900000000 ] - [ 0.0003720700000000, 0.0000242800000000, 0.0002936800000000 ] - [ -0.0003712200000000, 0.0000000000000000, 0.0003751900000000 ] - [ -0.0008052600000000, 0.0005829100000000, -0.0016104200000000 ] - [ -0.0001826400000000, 0.0000000000000000, 0.0016285700000000 ] - [ 0.0007894400000000, 0.0000000000000000, 0.0035502800000000 ] - [ 0.0004365900000000, 0.0001459300000000, 0.0014302600000000 ] - [ 0.0004365900000000, -0.0001459300000000, 0.0014302600000000 ]- atom: 91 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0002061300000000, 0.0000000000000000, 0.0011236800000000 ] - [ -0.0002230300000000, 0.0000000000000000, 0.0011891600000000 ] - [ -0.0000657600000000, 0.0000000000000000, 0.0012362900000000 ] - [ -0.0000660000000000, 0.0000000000000000, 0.0013887300000000 ] - [ -0.0032382700000000, 0.0000000000000000, 0.0023034500000000 ] - [ -0.0004623600000000, 0.0000000000000000, 0.0013206700000000 ] - [ -0.0074947100000000, 0.0000000000000000, -0.0165145900000000 ] - [ 0.0019846900000000, 0.0000000000000000, -0.0068359000000000 ] - [ -0.0003686500000000, 0.0000000000000000, 0.0014061600000000 ] - [ -0.0003448400000000, 0.0000000000000000, 0.0039148200000000 ] - [ -0.0002236100000000, 0.0000000000000000, 0.0011879800000000 ] - [ -0.0001676300000000, 0.0000000000000000, 0.0011332900000000 ] - [ -0.0001283800000000, 0.0000000000000000, 0.0010787100000000 ] - [ -0.0000381800000000, 0.0000000000000000, 0.0013453800000000 ] - [ 0.0000812600000000, 0.0000000000000000, -0.0003821000000000 ] - [ 0.0006365800000000, 0.0000000000000000, 0.0011206600000000 ] - [ -0.0005057700000000, 0.0000000000000000, -0.0031843500000000 ] - [ -0.0019266400000000, 0.0000000000000000, -0.0046487000000000 ] - [ 0.0008923200000000, 0.0000000000000000, 0.0009815700000000 ] - [ 0.0003969200000000, 0.0000000000000000, -0.0000201100000000 ] - [ 0.0000722200000000, 0.0000000000000000, 0.0016647700000000 ] - [ 0.0002403600000000, 0.0000000000000000, 0.0023053500000000 ] - [ 0.0001951000000000, -0.0000866600000000, 0.0018685600000000 ] - [ -0.0001844200000000, 0.0000000000000000, 0.0020620000000000 ] - [ 0.0001951000000000, 0.0000866600000000, 0.0018685600000000 ] - [ 0.0002268300000000, 0.0000803200000000, 0.0017366900000000 ] - [ -0.0068865100000000, 0.0000000000000000, -0.0871158600000000 ] - [ -0.0004033200000000, 0.0000000000000000, 0.0032573500000000 ] - [ -0.0001279200000000, -0.0000477700000000, 0.0018975900000000 ] - [ 0.0027451300000000, 0.0000000000000000, -0.0056070900000000 ] - [ -0.0002291700000000, 0.0000000000000000, 0.0019458100000000 ] - [ -0.0023240000000000, 0.0027693600000000, 0.0010277900000000 ] - [ 0.0050055300000000, -0.0005546900000000, 0.0016378500000000 ] - [ 0.0000113200000000, 0.0000000000000000, 0.0027319600000000 ] - [ 0.0063428300000000, 0.0140485200000000, -0.0237368100000000 ] - [ -0.0017522700000000, 0.0000000000000000, 0.0009035600000000 ] - [ 0.0063428300000000, -0.0140485200000000, -0.0237368100000000 ] - [ -0.0001696100000000, -0.0002971900000000, 0.0012850500000000 ] - [ -0.0001197400000000, 0.0005295500000000, 0.0025720300000000 ] - [ -0.0051978200000000, 0.0000000000000000, -0.0001594400000000 ] - [ -0.0000766600000000, 0.0000000000000000, 0.0019799900000000 ] - [ 0.0000830700000000, 0.0000000000000000, 0.0019471100000000 ] - [ 0.0001248500000000, -0.0000797500000000, 0.0017961200000000 ] - [ -0.0002486100000000, 0.0000000000000000, 0.0019661200000000 ] - [ 0.0001248500000000, 0.0000797500000000, 0.0017961200000000 ] - [ -0.0001279200000000, 0.0000477700000000, 0.0018975900000000 ] - [ 0.0008988400000000, 0.0000000000000000, -0.0042793600000000 ] - [ 0.0001860300000000, 0.0000000000000000, 0.0011545700000000 ] - [ 0.0002268300000000, -0.0000803200000000, 0.0017366900000000 ] - [ -0.0008043900000000, 0.0000000000000000, -0.0071476600000000 ] - [ -0.0002232200000000, 0.0000000000000000, 0.0019771900000000 ] - [ 0.0050055300000000, 0.0005546900000000, 0.0016378500000000 ] - [ -0.0023240000000000, -0.0027693600000000, 0.0010277900000000 ] - [ -0.0002334800000000, 0.0000000000000000, 0.0018063900000000 ] - [ 0.0009495900000000, -0.0001289900000000, -0.0044468300000000 ] - [ 0.0014544400000000, 0.0000000000000000, 0.0002382700000000 ] - [ 0.0009495900000000, 0.0001289900000000, -0.0044468300000000 ] - [ -0.0001197400000000, -0.0005295500000000, 0.0025720300000000 ] - [ -0.0001696100000000, 0.0002971900000000, 0.0012850500000000 ] - [ 0.0053470800000000, 0.0000000000000000, 0.0008446500000000 ] - [ -0.0001544500000000, 0.0001636000000000, -0.0012930500000000 ] - [ -0.0000484600000000, 0.0000000000000000, -0.0015117100000000 ] - [ -0.0001257600000000, -0.0001569700000000, -0.0011479700000000 ] - [ -0.0000006200000000, 0.0000000000000000, -0.0013032200000000 ] - [ 0.0001205100000000, 0.0000000000000000, -0.0011736300000000 ] - [ -0.0002219500000000, 0.0001137900000000, -0.0011262400000000 ] - [ 0.0000589200000000, 0.0000000000000000, -0.0014500500000000 ] - [ -0.0001903300000000, -0.0000962600000000, -0.0011327600000000 ] - [ -0.0000243000000000, 0.0000000000000000, -0.0016759100000000 ] - [ -0.0002219500000000, -0.0001137900000000, -0.0011262400000000 ] - [ 0.0000988300000000, 0.0000000000000000, -0.0011479600000000 ] - [ -0.0001903300000000, 0.0000962600000000, -0.0011327600000000 ] - [ 0.0003527700000000, 0.0000000000000000, -0.0014143500000000 ] - [ 0.0006234600000000, -0.0003993500000000, -0.0014626300000000 ] - [ 0.0000951400000000, 0.0000000000000000, -0.0016402100000000 ] - [ 0.0000386000000000, -0.0000103100000000, -0.0010177100000000 ] - [ -0.0017664500000000, 0.0000000000000000, 0.0024427100000000 ] - [ -0.0005258900000000, 0.0000265200000000, -0.0004327200000000 ] - [ -0.0007356500000000, 0.0000000000000000, -0.0015994900000000 ] - [ -0.0003938200000000, 0.0001183300000000, -0.0012726600000000 ] - [ 0.0090247100000000, 0.0000000000000000, -0.0057494300000000 ] - [ 0.0003533900000000, -0.0009527500000000, 0.0059338800000000 ] - [ -0.0011448200000000, 0.0000000000000000, -0.0035919600000000 ] - [ -0.0046413300000000, -0.0061952400000000, -0.0058905400000000 ] - [ 0.0017476400000000, 0.0000000000000000, 0.0018599200000000 ] - [ -0.0003870000000000, 0.0005049800000000, 0.0047739300000000 ] - [ -0.0006024000000000, 0.0000000000000000, 0.0083127900000000 ] - [ -0.0046413300000000, 0.0061952400000000, -0.0058905400000000 ] - [ 0.0115981600000000, 0.0000000000000000, -0.0079697700000000 ] - [ 0.0004796600000000, -0.0001776000000000, -0.0016067900000000 ] - [ 0.0021328700000000, 0.0000000000000000, 0.1780104700000000 ] - [ 0.0010238200000000, 0.0006964800000000, 0.0015739900000000 ] - [ 0.0001189100000000, 0.0000000000000000, -0.0015583500000000 ] - [ 0.0004796600000000, 0.0001776000000000, -0.0016067900000000 ] - [ -0.0005129800000000, 0.0000000000000000, -0.0016567300000000 ] - [ -0.0059034800000000, 0.0093503800000000, -0.0100695900000000 ] - [ 0.0000719200000000, 0.0000000000000000, -0.0009468400000000 ] - [ 0.0009974900000000, 0.0000000000000000, -0.0015919800000000 ] - [ 0.0001465900000000, 0.0000034000000000, -0.0010739400000000 ] - [ 0.0001465900000000, -0.0000034000000000, -0.0010739400000000 ] - [ -0.0001257600000000, 0.0001569700000000, -0.0011479700000000 ] - [ -0.0000278500000000, 0.0000000000000000, -0.0014382100000000 ] - [ -0.0001544500000000, -0.0001636000000000, -0.0012930500000000 ] - [ 0.0001731000000000, 0.0000000000000000, -0.0012837500000000 ] - [ 0.0001067400000000, 0.0000000000000000, -0.0012241300000000 ] - [ -0.0001920400000000, 0.0000927800000000, -0.0010201100000000 ] - [ 0.0001563700000000, 0.0000000000000000, -0.0014251500000000 ] - [ -0.0001799900000000, -0.0000985600000000, -0.0011316800000000 ] - [ -0.0001728000000000, 0.0000000000000000, -0.0011440300000000 ] - [ -0.0001920400000000, -0.0000927800000000, -0.0010201100000000 ] - [ 0.0002131700000000, 0.0000000000000000, -0.0011575000000000 ] - [ -0.0001799900000000, 0.0000985600000000, -0.0011316800000000 ] - [ 0.0001377900000000, 0.0000000000000000, -0.0010445000000000 ] - [ -0.0005258900000000, -0.0000265200000000, -0.0004327200000000 ] - [ -0.0000019100000000, 0.0000000000000000, -0.0016831600000000 ] - [ -0.0003938200000000, -0.0001183300000000, -0.0012726600000000 ] - [ 0.0012967100000000, 0.0000000000000000, 0.0027566900000000 ] - [ 0.0006234600000000, 0.0003993500000000, -0.0014626300000000 ] - [ 0.0004284300000000, 0.0000000000000000, -0.0002510200000000 ] - [ 0.0000386000000000, 0.0000103100000000, -0.0010177100000000 ] - [ -0.0030064600000000, 0.0000000000000000, 0.0021676800000000 ] - [ -0.0003870000000000, -0.0005049800000000, 0.0047739300000000 ] - [ 0.0009615200000000, 0.0000000000000000, -0.0016437200000000 ] - [ 0.0010169400000000, 0.0006691500000000, 0.0019403500000000 ] - [ -0.0018589300000000, 0.0000000000000000, 0.0017227300000000 ] - [ 0.0003533900000000, 0.0009527500000000, 0.0059338800000000 ] - [ -0.0007708200000000, 0.0000000000000000, 0.0027524600000000 ] - [ 0.0010169400000000, -0.0006691500000000, 0.0019403500000000 ] - [ -0.0029027800000000, 0.0000000000000000, 0.0021707400000000 ] - [ -0.0003346500000000, 0.0000559900000000, -0.0002876700000000 ] - [ -0.0005123400000000, 0.0000000000000000, 0.0038861900000000 ] - [ -0.0059034800000000, -0.0093503800000000, -0.0100695900000000 ] - [ -0.0000404000000000, 0.0000000000000000, -0.0010438900000000 ] - [ -0.0003346500000000, -0.0000559900000000, -0.0002876700000000 ] - [ 0.0006901700000000, 0.0000000000000000, -0.0004492200000000 ] - [ 0.0010238200000000, -0.0006964800000000, 0.0015739900000000 ] - [ 0.0001614500000000, 0.0000000000000000, -0.0014018500000000 ] - [ -0.0007515900000000, 0.0000000000000000, -0.0035760500000000 ] - [ -0.0003374700000000, -0.0000964500000000, -0.0013716800000000 ] - [ -0.0003374700000000, 0.0000964500000000, -0.0013716800000000 ]- atom: 92 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0002189300000000, 0.0000697600000000, 0.0001964200000000 ] - [ -0.0001451300000000, -0.0000046600000000, -0.0001181800000000 ] - [ -0.0000767900000000, 0.0000006200000000, -0.0000947700000000 ] - [ -0.0001089500000000, 0.0000002100000000, -0.0000663200000000 ] - [ -0.0004313300000000, 0.0000645900000000, 0.0001218800000000 ] - [ -0.0000603100000000, 0.0000034300000000, -0.0001627700000000 ] - [ -0.0037586400000000, -0.0001900900000000, -0.0009515100000000 ] - [ -0.0004915700000000, 0.0009398100000000, 0.0015222400000000 ] - [ -0.0009094000000000, 0.0000799100000000, -0.0010149000000000 ] - [ -0.0030620900000000, 0.0000984800000000, -0.0012052600000000 ] - [ -0.0002686100000000, -0.0000943300000000, -0.0004606400000000 ] - [ -0.0000078800000000, 0.0000012800000000, -0.0001297600000000 ] - [ -0.0000376600000000, 0.0000000700000000, -0.0001419400000000 ] - [ -0.0000959300000000, 0.0000003400000000, -0.0000967300000000 ] - [ 0.0005555300000000, -0.0000496400000000, -0.0004234300000000 ] - [ 0.0001104900000000, 0.0000024600000000, -0.0000829200000000 ] - [ 0.0118435200000000, -0.0011049800000000, -0.0010989400000000 ] - [ -0.0007505400000000, -0.0000751100000000, -0.0012794000000000 ] - [ -0.0004613000000000, -0.0006921700000000, 0.0011768500000000 ] - [ 0.0125074300000000, 0.0031002700000000, -0.0027953300000000 ] - [ 0.0003086600000000, 0.0000110900000000, -0.0000600700000000 ] - [ -0.0002538100000000, -0.0000761700000000, 0.0001563000000000 ] - [ -0.0000176700000000, -0.0001403200000000, -0.0000862700000000 ] - [ -0.0001658400000000, 0.0000002700000000, -0.0000915200000000 ] - [ -0.0000266100000000, 0.0001404100000000, -0.0000952100000000 ] - [ -0.0000047700000000, 0.0000942500000000, -0.0001811100000000 ] - [ -0.0011394100000000, -0.0002130500000000, 0.0010405500000000 ] - [ -0.0002500000000000, -0.0000144600000000, -0.0000328100000000 ] - [ -0.0000781800000000, -0.0000971600000000, -0.0001804600000000 ] - [ 0.0052022900000000, -0.0024598900000000, 0.0024168100000000 ] - [ -0.0001224600000000, -0.0000001600000000, -0.0001775600000000 ] - [ -0.0004129400000000, 0.0000330200000000, -0.0005299300000000 ] - [ 0.0003967200000000, 0.0001957900000000, 0.0003974100000000 ] - [ -0.0000809500000000, -0.0000014000000000, -0.0000214600000000 ] - [ -0.0068019300000000, 0.0005573800000000, 0.0030327700000000 ] - [ -0.0027924500000000, 0.0011696200000000, -0.0044250900000000 ] - [ -0.0034590700000000, -0.0006300900000000, 0.0037711200000000 ] - [ 0.0038702500000000, 0.0005157200000000, -0.0006388900000000 ] - [ -0.0016885100000000, 0.0000460900000000, 0.0000459200000000 ] - [ 0.0230300800000000, 0.0275447000000000, 0.0098897100000000 ] - [ -0.0002125400000000, 0.0000274300000000, -0.0002284700000000 ] - [ 0.0005656200000000, 0.0000988300000000, -0.0007160600000000 ] - [ 0.0000593600000000, -0.0001618100000000, -0.0003004700000000 ] - [ -0.0001351300000000, 0.0000000200000000, -0.0001462300000000 ] - [ 0.0000605400000000, 0.0001631800000000, -0.0002876500000000 ] - [ -0.0000779400000000, 0.0000972200000000, -0.0001807100000000 ] - [ 0.0010174900000000, 0.0005823000000000, -0.0027150300000000 ] - [ 0.0001995400000000, -0.0000017500000000, -0.0002824300000000 ] - [ -0.0000037600000000, -0.0000942800000000, -0.0001803200000000 ] - [ -0.0029215500000000, 0.0000659700000000, -0.0008221200000000 ] - [ -0.0002093800000000, 0.0000001000000000, -0.0001788000000000 ] - [ 0.0002840600000000, -0.0001958300000000, 0.0002124500000000 ] - [ -0.0005118500000000, -0.0000255500000000, -0.0005985400000000 ] - [ -0.0000330200000000, 0.0000034600000000, -0.0003020500000000 ] - [ 0.0038299600000000, -0.0006463000000000, -0.0018713500000000 ] - [ -0.0018413500000000, 0.0019802100000000, 0.0056685900000000 ] - [ 0.0426965600000000, -0.0042078700000000, 0.0232442800000000 ] - [ -0.0015051300000000, -0.0000358400000000, 0.0001214200000000 ] - [ 0.0031123800000000, -0.0005780000000000, -0.0010394600000000 ] - [ -0.0072284000000000, 0.0006129400000000, 0.0017276300000000 ] - [ 0.0001109100000000, 0.0000884800000000, 0.0000324200000000 ] - [ -0.0000842300000000, 0.0000021000000000, 0.0002608300000000 ] - [ -0.0001447900000000, -0.0001817300000000, 0.0001317400000000 ] - [ -0.0001074400000000, 0.0000067200000000, -0.0000420700000000 ] - [ -0.0001229500000000, -0.0000005400000000, 0.0000988900000000 ] - [ -0.0000419300000000, -0.0000212100000000, 0.0001367500000000 ] - [ 0.0000258600000000, -0.0000051600000000, -0.0001017900000000 ] - [ -0.0000737900000000, 0.0000075500000000, 0.0000708600000000 ] - [ -0.0001234300000000, 0.0000002800000000, 0.0002033900000000 ] - [ -0.0000419500000000, 0.0000212500000000, 0.0001356300000000 ] - [ -0.0000648500000000, -0.0000000100000000, 0.0001154400000000 ] - [ -0.0000730700000000, -0.0000076400000000, 0.0000700300000000 ] - [ 0.0000006700000000, -0.0000003100000000, 0.0000538700000000 ] - [ 0.0002212200000000, -0.0001009300000000, 0.0000291400000000 ] - [ -0.0000249300000000, 0.0000002300000000, 0.0001068200000000 ] - [ 0.0000574500000000, 0.0001354200000000, 0.0001726500000000 ] - [ -0.0007025200000000, 0.0001879700000000, -0.0005249200000000 ] - [ -0.0001982300000000, 0.0000322600000000, 0.0000021700000000 ] - [ -0.0000318900000000, 0.0000164900000000, -0.0000641900000000 ] - [ -0.0000047500000000, -0.0001122300000000, 0.0000764000000000 ] - [ 0.0006998100000000, 0.0000430300000000, 0.0001895400000000 ] - [ 0.0025142000000000, 0.0002608800000000, -0.0073672500000000 ] - [ -0.0001349800000000, -0.0000186600000000, -0.0001392800000000 ] - [ 0.0003690900000000, -0.0000529100000000, -0.0007878800000000 ] - [ 0.0086981100000000, -0.0051117400000000, -0.0008379600000000 ] - [ 0.0017877300000000, 0.0000395700000000, 0.0012886100000000 ] - [ 0.0023348200000000, -0.0001950700000000, -0.0011228000000000 ] - [ 0.0001535900000000, 0.0000441400000000, -0.0003746200000000 ] - [ 0.0091915300000000, 0.0041865200000000, -0.0017296500000000 ] - [ 0.0014523700000000, -0.0002183500000000, 0.0011421300000000 ] - [ 0.0018919300000000, 0.0001905300000000, -0.0011714400000000 ] - [ -0.1119406400000000, -0.0323174000000000, -0.0318253300000000 ] - [ 0.0004872900000000, -0.0000128000000000, 0.0003980200000000 ] - [ 0.0015176200000000, 0.0001338800000000, 0.0011499600000000 ] - [ 0.0020941800000000, -0.0000391300000000, -0.0009553700000000 ] - [ 0.0038315600000000, -0.0006773500000000, 0.0002724500000000 ] - [ -0.0010328700000000, -0.0002591100000000, 0.0000976100000000 ] - [ -0.0013571600000000, 0.0019180200000000, 0.0049594900000000 ] - [ 0.0002936600000000, 0.0001545400000000, 0.0011992300000000 ] - [ 0.0001044300000000, -0.0001304200000000, 0.0008034600000000 ] - [ -0.0001790300000000, 0.0001978100000000, 0.0001364600000000 ] - [ -0.0001315600000000, 0.0000011500000000, 0.0003218000000000 ] - [ 0.0000952300000000, -0.0000959200000000, 0.0000652000000000 ] - [ 0.0000569100000000, -0.0000185900000000, 0.0002949600000000 ] - [ -0.0000668800000000, -0.0000017100000000, 0.0000411100000000 ] - [ -0.0000557200000000, -0.0000223700000000, 0.0001624900000000 ] - [ 0.0001183100000000, 0.0000162000000000, 0.0001559200000000 ] - [ -0.0000099600000000, 0.0000104200000000, 0.0001209100000000 ] - [ -0.0001936200000000, 0.0000013000000000, 0.0002430100000000 ] - [ -0.0000555200000000, 0.0000224200000000, 0.0001615600000000 ] - [ -0.0000657900000000, -0.0000001700000000, 0.0001246400000000 ] - [ -0.0000137500000000, -0.0000099900000000, 0.0001195100000000 ] - [ -0.0001055900000000, -0.0000017400000000, 0.0001026900000000 ] - [ -0.0002295800000000, -0.0000269300000000, -0.0000121300000000 ] - [ -0.0000308500000000, 0.0000000200000000, 0.0000947400000000 ] - [ -0.0000055100000000, 0.0001116200000000, 0.0000756500000000 ] - [ 0.0006128700000000, -0.0000299800000000, 0.0004604400000000 ] - [ 0.0001945500000000, 0.0000998400000000, 0.0000512000000000 ] - [ -0.0000243700000000, -0.0000253500000000, 0.0003513700000000 ] - [ 0.0000537900000000, -0.0001342400000000, 0.0001702800000000 ] - [ -0.0012454300000000, -0.0002221200000000, -0.0000269900000000 ] - [ 0.0018242200000000, -0.0001269800000000, 0.0016082400000000 ] - [ -0.0000259700000000, 0.0000351600000000, 0.0003641900000000 ] - [ 0.0003548700000000, 0.0002032200000000, 0.0012964300000000 ] - [ 0.0071869000000000, -0.0068744900000000, -0.0015150300000000 ] - [ -0.0015277500000000, -0.0003965800000000, -0.0019119600000000 ] - [ -0.0033142000000000, -0.0034444900000000, 0.0041855700000000 ] - [ 0.0001258800000000, -0.0001416700000000, 0.0009407200000000 ] - [ 0.0133746300000000, 0.0096763600000000, -0.0015727300000000 ] - [ 0.0003635600000000, 0.0001971600000000, -0.0066448600000000 ] - [ -0.0028329100000000, 0.0043277500000000, 0.0064938400000000 ] - [ 0.0054434200000000, 0.0009929900000000, 0.0005764500000000 ] - [ -0.0008407100000000, 0.0002989000000000, -0.0001959200000000 ] - [ -0.0018050400000000, -0.0000349900000000, -0.0018537300000000 ] - [ -0.0018544400000000, -0.0017714600000000, 0.0037297000000000 ] - [ -0.0065402600000000, 0.0025565300000000, -0.0013053400000000 ] - [ 0.0006064600000000, 0.0000199500000000, 0.0002554500000000 ] - [ 0.0014299400000000, 0.0000350200000000, -0.0011952800000000 ] - [ 0.0003835300000000, 0.0000612400000000, -0.0005598900000000 ] - [ 0.0001691300000000, -0.0000028100000000, -0.0003131200000000 ]- atom: 92 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0001497200000000, -0.0000772200000000, -0.0003518100000000 ] - [ -0.0000120900000000, 0.0000054200000000, 0.0000863400000000 ] - [ -0.0000408300000000, -0.0000001000000000, 0.0000764800000000 ] - [ -0.0000895600000000, 0.0000002800000000, 0.0001535800000000 ] - [ 0.0004172500000000, -0.0000647000000000, -0.0001536300000000 ] - [ 0.0001315500000000, -0.0000032100000000, 0.0001558800000000 ] - [ 0.0038019700000000, 0.0001866300000000, 0.0009792200000000 ] - [ 0.0004922800000000, -0.0009396400000000, -0.0015835900000000 ] - [ 0.0008460400000000, -0.0000794500000000, 0.0009386600000000 ] - [ 0.0033074300000000, -0.0000987800000000, 0.0011725800000000 ] - [ 0.0003312300000000, 0.0000863900000000, 0.0003041300000000 ] - [ -0.0001482300000000, -0.0000004200000000, 0.0000967000000000 ] - [ -0.0000789600000000, 0.0000004900000000, 0.0001238500000000 ] - [ -0.0001023000000000, 0.0000002600000000, 0.0001835000000000 ] - [ -0.0005707600000000, 0.0000502700000000, 0.0003951400000000 ] - [ -0.0000405000000000, -0.0000019300000000, 0.0000751400000000 ] - [ -0.0119039900000000, 0.0013726900000000, 0.0013850700000000 ] - [ 0.0007636800000000, 0.0000764700000000, 0.0012203800000000 ] - [ 0.0004174300000000, 0.0006930700000000, -0.0012533600000000 ] - [ -0.0121819800000000, -0.0028825700000000, 0.0025675100000000 ] - [ -0.0001879700000000, -0.0000112400000000, 0.0000233200000000 ] - [ 0.0004184100000000, 0.0000764000000000, -0.0001671900000000 ] - [ 0.0000559600000000, -0.0001569900000000, 0.0000598400000000 ] - [ -0.0001462900000000, -0.0000005200000000, 0.0002162400000000 ] - [ 0.0000650900000000, 0.0001568700000000, 0.0000729400000000 ] - [ -0.0000652100000000, 0.0000857400000000, 0.0001608000000000 ] - [ 0.0011412300000000, 0.0002134400000000, -0.0010034300000000 ] - [ 0.0001596800000000, 0.0000143700000000, 0.0000841500000000 ] - [ 0.0000085000000000, -0.0000828000000000, 0.0001599500000000 ] - [ -0.0051204400000000, 0.0024576300000000, -0.0025359400000000 ] - [ -0.0002165000000000, 0.0000002400000000, 0.0001869600000000 ] - [ 0.0004611600000000, -0.0001155000000000, 0.0005071500000000 ] - [ -0.0003532300000000, -0.0001135400000000, -0.0004215300000000 ] - [ -0.0000437100000000, 0.0000014500000000, 0.0000825000000000 ] - [ 0.0071015000000000, -0.0005875500000000, -0.0030963400000000 ] - [ 0.0027025700000000, -0.0011878600000000, 0.0044460000000000 ] - [ 0.0037267200000000, 0.0006593100000000, -0.0038288800000000 ] - [ -0.0038131200000000, -0.0004874700000000, 0.0005323600000000 ] - [ 0.0017395000000000, -0.0000718800000000, -0.0001253400000000 ] - [ -0.0229764600000000, -0.0283523600000000, -0.0101937900000000 ] - [ 0.0003298600000000, -0.0000275600000000, 0.0001951800000000 ] - [ -0.0004010700000000, -0.0000980700000000, 0.0006985900000000 ] - [ -0.0000217200000000, -0.0001354600000000, 0.0002728700000000 ] - [ -0.0001766000000000, -0.0000001600000000, 0.0002706900000000 ] - [ -0.0000227600000000, 0.0001340800000000, 0.0002642500000000 ] - [ 0.0000082000000000, 0.0000827200000000, 0.0001603600000000 ] - [ -0.0010205100000000, -0.0005822700000000, 0.0027716100000000 ] - [ -0.0002905000000000, 0.0000016400000000, 0.0003348700000000 ] - [ -0.0000662100000000, -0.0000857300000000, 0.0001598800000000 ] - [ 0.0030310100000000, -0.0000632400000000, 0.0006904000000000 ] - [ -0.0001294000000000, -0.0000001500000000, 0.0001878100000000 ] - [ -0.0002404100000000, 0.0001135500000000, -0.0002357000000000 ] - [ 0.0005603600000000, 0.0001080000000000, 0.0005753800000000 ] - [ -0.0000910800000000, -0.0000034100000000, 0.0003640000000000 ] - [ -0.0034991400000000, 0.0006138900000000, 0.0018201500000000 ] - [ 0.0017701400000000, -0.0019800100000000, -0.0056491000000000 ] - [ -0.0403691600000000, 0.0040218300000000, -0.0215284700000000 ] - [ 0.0015544300000000, 0.0000614100000000, -0.0002003200000000 ] - [ -0.0030495700000000, 0.0005494700000000, 0.0009425400000000 ] - [ 0.0073148800000000, -0.0006037800000000, -0.0017385500000000 ] - [ -0.0001616000000000, 0.0001825400000000, -0.0000428200000000 ] - [ -0.0001155300000000, -0.0000021700000000, 0.0000266600000000 ] - [ 0.0000936500000000, -0.0000898400000000, -0.0001419300000000 ] - [ 0.0000493800000000, -0.0000067300000000, 0.0000208800000000 ] - [ -0.0000277000000000, 0.0000004100000000, -0.0001751600000000 ] - [ -0.0000825400000000, -0.0000005400000000, -0.0000459300000000 ] - [ 0.0001205400000000, 0.0000052500000000, -0.0001367400000000 ] - [ -0.0000397600000000, -0.0000086300000000, -0.0000946400000000 ] - [ -0.0001798500000000, -0.0000003200000000, -0.0000456200000000 ] - [ -0.0000826900000000, 0.0000005500000000, -0.0000474900000000 ] - [ -0.0000271300000000, 0.0000000100000000, -0.0000939500000000 ] - [ -0.0000410700000000, 0.0000086100000000, -0.0000952800000000 ] - [ -0.0000603500000000, 0.0000001900000000, -0.0001150700000000 ] - [ -0.0002395100000000, -0.0000246300000000, -0.0001621800000000 ] - [ -0.0000187900000000, -0.0000002500000000, -0.0002062600000000 ] - [ -0.0000406200000000, 0.0000851500000000, -0.0001379000000000 ] - [ 0.0008310800000000, -0.0001884300000000, 0.0005517600000000 ] - [ 0.0001807000000000, 0.0000933800000000, -0.0001382000000000 ] - [ -0.0000048000000000, -0.0000164900000000, 0.0001177100000000 ] - [ 0.0000219100000000, -0.0001086100000000, -0.0000434100000000 ] - [ -0.0008686600000000, -0.0000428600000000, -0.0001497000000000 ] - [ -0.0025631600000000, -0.0002307300000000, 0.0073454500000000 ] - [ -0.0000217500000000, 0.0000187000000000, -0.0000170000000000 ] - [ -0.0002958600000000, 0.0000519300000000, 0.0009966300000000 ] - [ -0.0085199100000000, 0.0051861300000000, 0.0007837800000000 ] - [ -0.0018778700000000, -0.0000636100000000, -0.0013743700000000 ] - [ -0.0023167800000000, 0.0001935100000000, 0.0012122800000000 ] - [ -0.0000798800000000, -0.0000432700000000, 0.0005803200000000 ] - [ -0.0091820100000000, -0.0042311300000000, 0.0017633200000000 ] - [ -0.0014083300000000, 0.0002517400000000, -0.0011471700000000 ] - [ -0.0018414300000000, -0.0001893700000000, 0.0012209800000000 ] - [ 0.1101202300000000, 0.0329474200000000, 0.0302543500000000 ] - [ -0.0005212100000000, 0.0000123800000000, -0.0001534400000000 ] - [ -0.0014767600000000, -0.0001664300000000, -0.0011564500000000 ] - [ -0.0017727500000000, 0.0000402000000000, 0.0008682800000000 ] - [ -0.0036111400000000, 0.0005644800000000, -0.0003174600000000 ] - [ 0.0010082000000000, 0.0002589200000000, 0.0001274000000000 ] - [ 0.0014160000000000, -0.0019202100000000, -0.0049671200000000 ] - [ -0.0001910000000000, -0.0001035000000000, -0.0011361200000000 ] - [ -0.0000020600000000, 0.0000793100000000, -0.0007445500000000 ] - [ 0.0001280200000000, 0.0000736100000000, -0.0001450800000000 ] - [ -0.0000680300000000, -0.0000012600000000, -0.0000336100000000 ] - [ -0.0001460900000000, -0.0001753400000000, -0.0000771400000000 ] - [ -0.0001125100000000, 0.0000185100000000, -0.0003150900000000 ] - [ -0.0000837400000000, 0.0000015800000000, -0.0001178200000000 ] - [ -0.0000685800000000, 0.0000008500000000, -0.0000716800000000 ] - [ 0.0000296600000000, -0.0000160300000000, -0.0003936000000000 ] - [ -0.0001036900000000, -0.0000113300000000, -0.0001443100000000 ] - [ -0.0001089700000000, -0.0000015700000000, -0.0000852600000000 ] - [ -0.0000688700000000, -0.0000009600000000, -0.0000733700000000 ] - [ -0.0000263900000000, 0.0000001700000000, -0.0001032000000000 ] - [ -0.0000999200000000, 0.0000108000000000, -0.0001446800000000 ] - [ 0.0000463000000000, 0.0000016300000000, -0.0001641900000000 ] - [ 0.0002122300000000, -0.0000987800000000, -0.0001217900000000 ] - [ -0.0000128800000000, 0.0000000000000000, -0.0001942200000000 ] - [ 0.0000227300000000, 0.0001092200000000, -0.0000405400000000 ] - [ -0.0004883100000000, 0.0000297100000000, -0.0004318100000000 ] - [ -0.0002128800000000, 0.0000256100000000, -0.0001864100000000 ] - [ -0.0000131300000000, 0.0000254200000000, -0.0002988400000000 ] - [ -0.0000371100000000, -0.0000863600000000, -0.0001377800000000 ] - [ 0.0010820600000000, 0.0002220300000000, 0.0000655600000000 ] - [ -0.0018835200000000, 0.0001517800000000, -0.0016653300000000 ] - [ -0.0001316000000000, -0.0000352200000000, -0.0005217500000000 ] - [ -0.0002839900000000, -0.0002045000000000, -0.0010940100000000 ] - [ -0.0068533400000000, 0.0067764500000000, 0.0014318800000000 ] - [ 0.0014875900000000, 0.0003698800000000, 0.0018448200000000 ] - [ 0.0033039000000000, 0.0034316800000000, -0.0041044100000000 ] - [ -0.0000552300000000, 0.0001435500000000, -0.0007402400000000 ] - [ -0.0131345200000000, -0.0095184400000000, 0.0015679900000000 ] - [ -0.0003460000000000, -0.0001606900000000, 0.0066231100000000 ] - [ 0.0028355100000000, -0.0043101500000000, -0.0064490400000000 ] - [ -0.0052223400000000, -0.0008767900000000, -0.0006192500000000 ] - [ 0.0008021500000000, -0.0002986500000000, 0.0004449100000000 ] - [ 0.0018306000000000, -0.0000008900000000, 0.0018530800000000 ] - [ 0.0022034500000000, 0.0017635500000000, -0.0037880700000000 ] - [ 0.0067451100000000, -0.0027154600000000, 0.0012442200000000 ] - [ -0.0006264600000000, -0.0000196600000000, -0.0000351800000000 ] - [ -0.0013894900000000, -0.0000367000000000, 0.0011685900000000 ] - [ -0.0002867200000000, -0.0000115500000000, 0.0006157000000000 ] - [ -0.0000722100000000, -0.0000472200000000, 0.0003660200000000 ]- atom: 92 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002185400000000, -0.0000077400000000, -0.0001234000000000 ] - [ -0.0001052900000000, 0.0000009200000000, -0.0000946600000000 ] - [ -0.0000581200000000, 0.0000000400000000, -0.0000912600000000 ] - [ -0.0001010900000000, 0.0000001900000000, -0.0000529100000000 ] - [ -0.0000388800000000, 0.0000005200000000, -0.0000402300000000 ] - [ 0.0000106200000000, -0.0000002200000000, -0.0000970800000000 ] - [ 0.0005610200000000, 0.0000847000000000, 0.0007849800000000 ] - [ 0.0001185000000000, 0.0000498600000000, 0.0001163600000000 ] - [ -0.0014592900000000, 0.0001495500000000, -0.0006891300000000 ] - [ -0.0010554200000000, 0.0001252500000000, -0.0007340500000000 ] - [ -0.0000940500000000, -0.0000504500000000, -0.0000620300000000 ] - [ -0.0000474000000000, 0.0000028600000000, -0.0001258400000000 ] - [ -0.0000544400000000, -0.0000002000000000, -0.0001028100000000 ] - [ -0.0001054300000000, 0.0000002800000000, -0.0000620400000000 ] - [ 0.0002056300000000, -0.0000214300000000, -0.0000908800000000 ] - [ 0.0000608400000000, -0.0000004800000000, -0.0000943500000000 ] - [ -0.0029235000000000, 0.0095948300000000, 0.0050846300000000 ] - [ 0.0007929500000000, 0.0000593200000000, 0.0005951300000000 ] - [ 0.0001082400000000, 0.0000457800000000, 0.0001041900000000 ] - [ 0.0035168600000000, 0.0090784200000000, -0.0038639800000000 ] - [ 0.0001886100000000, -0.0000101900000000, -0.0000692700000000 ] - [ 0.0000566600000000, 0.0000024000000000, -0.0000302500000000 ] - [ 0.0000205800000000, -0.0001350700000000, -0.0001218000000000 ] - [ -0.0001530700000000, -0.0000002800000000, -0.0000720000000000 ] - [ 0.0000217500000000, 0.0001348700000000, -0.0001193200000000 ] - [ -0.0000333800000000, 0.0000929200000000, -0.0001515300000000 ] - [ -0.0000569400000000, -0.0000046100000000, 0.0003147100000000 ] - [ -0.0000789700000000, -0.0000000900000000, -0.0000825500000000 ] - [ -0.0000482300000000, -0.0000914500000000, -0.0001459500000000 ] - [ -0.0016129500000000, -0.0005565900000000, 0.0021241900000000 ] - [ -0.0001476500000000, -0.0000009200000000, -0.0001471900000000 ] - [ -0.0001716000000000, -0.0000590300000000, -0.0001669200000000 ] - [ 0.0001168200000000, 0.0002753300000000, -0.0000997400000000 ] - [ -0.0000589800000000, -0.0000000800000000, -0.0001095200000000 ] - [ -0.0003202300000000, 0.0024757800000000, 0.0006275100000000 ] - [ 0.0016972400000000, -0.0005346800000000, 0.0015064100000000 ] - [ -0.0003022000000000, -0.0025822400000000, 0.0008432600000000 ] - [ 0.0005296300000000, 0.0025555600000000, -0.0003335200000000 ] - [ -0.0001060300000000, 0.0001957900000000, 0.0000726700000000 ] - [ 0.0309765900000000, 0.0637930300000000, 0.0224286400000000 ] - [ -0.0000192500000000, 0.0000017400000000, -0.0001103000000000 ] - [ 0.0000429700000000, 0.0000525100000000, -0.0005050100000000 ] - [ 0.0000000200000000, -0.0001419700000000, -0.0001973200000000 ] - [ -0.0001494400000000, -0.0000005100000000, -0.0000946200000000 ] - [ 0.0000050100000000, 0.0001416700000000, -0.0001871400000000 ] - [ -0.0000478300000000, 0.0000913800000000, -0.0001455500000000 ] - [ 0.0001730200000000, 0.0003414500000000, -0.0023554500000000 ] - [ -0.0000242100000000, 0.0000014000000000, -0.0001716800000000 ] - [ -0.0000335000000000, -0.0000938700000000, -0.0001515800000000 ] - [ -0.0004268400000000, 0.0000156300000000, -0.0002149000000000 ] - [ -0.0001790200000000, -0.0000009700000000, -0.0001381600000000 ] - [ 0.0001176100000000, -0.0002728300000000, -0.0001035400000000 ] - [ -0.0002156100000000, 0.0000689300000000, -0.0001987400000000 ] - [ -0.0000590200000000, 0.0000014100000000, -0.0001596400000000 ] - [ 0.0006034800000000, -0.0066273700000000, 0.0005586400000000 ] - [ 0.0012435200000000, -0.0005130000000000, -0.0020816000000000 ] - [ -0.0053829000000000, 0.0096685600000000, -0.0036500400000000 ] - [ -0.0001526100000000, -0.0001944700000000, 0.0000446600000000 ] - [ 0.0007811700000000, -0.0026794200000000, -0.0003528900000000 ] - [ -0.0022331100000000, 0.0002634500000000, 0.0010272200000000 ] - [ 0.0000001900000000, 0.0001215600000000, 0.0000468200000000 ] - [ -0.0001008600000000, -0.0000003200000000, 0.0002434700000000 ] - [ -0.0000459900000000, -0.0001664200000000, 0.0001181700000000 ] - [ -0.0000474000000000, 0.0000003100000000, 0.0000242800000000 ] - [ -0.0000946900000000, 0.0000002400000000, 0.0000649200000000 ] - [ -0.0000524900000000, -0.0000190700000000, 0.0001249500000000 ] - [ 0.0000265300000000, -0.0000000900000000, -0.0000176100000000 ] - [ -0.0000603700000000, 0.0000083500000000, 0.0000701300000000 ] - [ -0.0001490600000000, -0.0000003900000000, 0.0001794700000000 ] - [ -0.0000525400000000, 0.0000186300000000, 0.0001234500000000 ] - [ -0.0000605300000000, -0.0000003200000000, 0.0000974000000000 ] - [ -0.0000595400000000, -0.0000088600000000, 0.0000682100000000 ] - [ -0.0000434000000000, -0.0000001400000000, 0.0000524300000000 ] - [ 0.0000294100000000, -0.0000734400000000, -0.0000060300000000 ] - [ -0.0000274000000000, -0.0000000800000000, 0.0000746400000000 ] - [ 0.0000315100000000, 0.0001267800000000, 0.0001136900000000 ] - [ 0.0001557800000000, -0.0000030200000000, -0.0003520500000000 ] - [ -0.0000404100000000, 0.0000361200000000, 0.0000170800000000 ] - [ -0.0000129800000000, 0.0000003700000000, 0.0000410600000000 ] - [ 0.0000127000000000, -0.0001211800000000, 0.0000945900000000 ] - [ 0.0001048700000000, 0.0000114900000000, -0.0000436000000000 ] - [ -0.0002584600000000, -0.0019781200000000, -0.0001607100000000 ] - [ -0.0001366100000000, 0.0000003600000000, 0.0000543300000000 ] - [ -0.0000045500000000, -0.0000706800000000, 0.0000395400000000 ] - [ -0.0048013400000000, 0.0017438100000000, 0.0001337000000000 ] - [ 0.0000260100000000, -0.0006297000000000, -0.0001498400000000 ] - [ -0.0000150300000000, -0.0000446700000000, 0.0002366000000000 ] - [ -0.0000076300000000, 0.0000698600000000, 0.0000509200000000 ] - [ 0.0065460300000000, 0.0020811700000000, -0.0013167200000000 ] - [ 0.0002775800000000, 0.0006558900000000, 0.0000248000000000 ] - [ 0.0003860600000000, -0.0000231600000000, -0.0006754700000000 ] - [ -0.0313301400000000, -0.1323173600000000, -0.0233859200000000 ] - [ 0.0000735700000000, -0.0000130400000000, 0.0001671300000000 ] - [ 0.0001891600000000, -0.0006028900000000, -0.0000296800000000 ] - [ -0.0000173200000000, -0.0000177500000000, 0.0001484900000000 ] - [ 0.0007290800000000, -0.0010568500000000, -0.0000474700000000 ] - [ -0.0004848600000000, -0.0000392400000000, 0.0006032500000000 ] - [ 0.0010209300000000, 0.0020498200000000, 0.0061003400000000 ] - [ 0.0002343800000000, 0.0007114900000000, 0.0005256300000000 ] - [ 0.0001903900000000, -0.0005281100000000, 0.0003471900000000 ] - [ -0.0000523000000000, 0.0001649700000000, 0.0001340400000000 ] - [ -0.0001067300000000, -0.0000009700000000, 0.0002768900000000 ] - [ 0.0000003100000000, -0.0001223600000000, 0.0000444900000000 ] - [ 0.0000071300000000, -0.0000066700000000, 0.0001047900000000 ] - [ -0.0000897600000000, -0.0000002300000000, 0.0000402200000000 ] - [ -0.0000501500000000, -0.0000211300000000, 0.0001355500000000 ] - [ 0.0001129900000000, 0.0000093600000000, 0.0000399300000000 ] - [ -0.0000324700000000, 0.0000107400000000, 0.0000802900000000 ] - [ -0.0001609100000000, -0.0000002600000000, 0.0002025000000000 ] - [ -0.0000501600000000, 0.0000206100000000, 0.0001340300000000 ] - [ -0.0000624300000000, -0.0000003400000000, 0.0000994500000000 ] - [ -0.0000331400000000, -0.0000107800000000, 0.0000780300000000 ] - [ -0.0000576400000000, -0.0000005000000000, 0.0000684700000000 ] - [ -0.0000460000000000, -0.0000382600000000, 0.0000214800000000 ] - [ -0.0000277100000000, -0.0000001200000000, 0.0000715000000000 ] - [ 0.0000125800000000, 0.0001207600000000, 0.0000959500000000 ] - [ 0.0001434900000000, -0.0000060000000000, 0.0000355800000000 ] - [ 0.0000282600000000, 0.0000729200000000, -0.0000071400000000 ] - [ -0.0000137100000000, -0.0000041900000000, 0.0001299000000000 ] - [ 0.0000305000000000, -0.0001263800000000, 0.0001112300000000 ] - [ -0.0006707300000000, -0.0000488500000000, 0.0004498500000000 ] - [ 0.0001122500000000, 0.0008583100000000, -0.0001018000000000 ] - [ -0.0000306900000000, 0.0000143900000000, 0.0001579700000000 ] - [ 0.0002915200000000, 0.0007382400000000, 0.0004756700000000 ] - [ -0.0042490600000000, 0.0021235100000000, -0.0003352900000000 ] - [ -0.0004119700000000, 0.0011122500000000, 0.0000165800000000 ] - [ -0.0015899400000000, 0.0021223900000000, -0.0041721500000000 ] - [ 0.0001781300000000, -0.0005047300000000, 0.0003445200000000 ] - [ 0.0097691400000000, 0.0035858800000000, -0.0004981000000000 ] - [ -0.0001116500000000, -0.0019689100000000, -0.0003042700000000 ] - [ 0.0029038100000000, 0.0036138200000000, 0.0090700600000000 ] - [ 0.0010421600000000, 0.0015170000000000, 0.0000190900000000 ] - [ 0.0001108800000000, -0.0000315800000000, -0.0000989400000000 ] - [ -0.0000005700000000, 0.0011082800000000, -0.0004850400000000 ] - [ -0.0011142200000000, 0.0017815900000000, -0.0049861900000000 ] - [ -0.0025037400000000, 0.0292276000000000, -0.0020035300000000 ] - [ 0.0001305000000000, 0.0000136500000000, 0.0000614600000000 ] - [ 0.0003285800000000, -0.0000310700000000, -0.0007120000000000 ] - [ 0.0000069100000000, -0.0000321400000000, -0.0000152500000000 ] - [ 0.0000145400000000, 0.0000316900000000, -0.0000222200000000 ]- atom: 92 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001536300000000, -0.0000010800000000, -0.0000326200000000 ] - [ -0.0000504100000000, -0.0000005000000000, 0.0000633600000000 ] - [ -0.0000594700000000, 0.0000000500000000, 0.0000740700000000 ] - [ -0.0000972700000000, -0.0000000100000000, 0.0001417100000000 ] - [ 0.0000242900000000, -0.0000003100000000, 0.0000105000000000 ] - [ 0.0000601600000000, 0.0000001200000000, 0.0000915000000000 ] - [ -0.0005091600000000, -0.0000838100000000, -0.0007483700000000 ] - [ -0.0001166900000000, -0.0000412900000000, -0.0001751900000000 ] - [ 0.0014180300000000, -0.0001507700000000, 0.0006171400000000 ] - [ 0.0013077500000000, -0.0001245000000000, 0.0006944900000000 ] - [ 0.0001613900000000, 0.0000421200000000, -0.0000922700000000 ] - [ -0.0001089300000000, -0.0000023500000000, 0.0000941800000000 ] - [ -0.0000622500000000, 0.0000003800000000, 0.0000859100000000 ] - [ -0.0000927900000000, -0.0000000900000000, 0.0001507900000000 ] - [ -0.0002191300000000, 0.0000219900000000, 0.0000623100000000 ] - [ 0.0000093500000000, 0.0000006000000000, 0.0000880000000000 ] - [ 0.0025200800000000, -0.0089930600000000, -0.0044647000000000 ] - [ -0.0007868600000000, -0.0000582800000000, -0.0006510500000000 ] - [ -0.0001557800000000, -0.0000389000000000, -0.0001827800000000 ] - [ -0.0028816100000000, -0.0084918100000000, 0.0032225900000000 ] - [ -0.0000718300000000, 0.0000093900000000, 0.0000352700000000 ] - [ 0.0001084000000000, -0.0000017500000000, 0.0000196700000000 ] - [ 0.0000171600000000, -0.0001632800000000, 0.0000960700000000 ] - [ -0.0001592900000000, -0.0000003800000000, 0.0001985600000000 ] - [ 0.0000162700000000, 0.0001626300000000, 0.0000978600000000 ] - [ -0.0000366700000000, 0.0000864400000000, 0.0001328800000000 ] - [ 0.0000570500000000, 0.0000022100000000, -0.0002730800000000 ] - [ -0.0000119200000000, -0.0000006400000000, 0.0001360500000000 ] - [ -0.0000218600000000, -0.0000887800000000, 0.0001271300000000 ] - [ 0.0017124700000000, 0.0005362600000000, -0.0022645300000000 ] - [ -0.0001909500000000, 0.0000005800000000, 0.0001591800000000 ] - [ 0.0002164700000000, -0.0000242600000000, 0.0001454600000000 ] - [ -0.0000715900000000, -0.0001929800000000, 0.0000796400000000 ] - [ -0.0000655700000000, -0.0000003000000000, 0.0001729000000000 ] - [ 0.0005789500000000, -0.0025148700000000, -0.0006809500000000 ] - [ -0.0017752700000000, 0.0005384000000000, -0.0015197600000000 ] - [ 0.0005837000000000, 0.0026200100000000, -0.0008909400000000 ] - [ -0.0004991600000000, -0.0025408600000000, 0.0002404300000000 ] - [ 0.0001609200000000, -0.0002220500000000, -0.0001579500000000 ] - [ -0.0329277400000000, -0.0669846100000000, -0.0239170300000000 ] - [ 0.0001380600000000, -0.0000023800000000, 0.0000767800000000 ] - [ 0.0001201000000000, -0.0000527900000000, 0.0004988300000000 ] - [ 0.0000377300000000, -0.0001562500000000, 0.0001724400000000 ] - [ -0.0001628300000000, -0.0000000500000000, 0.0002213100000000 ] - [ 0.0000329800000000, 0.0001557300000000, 0.0001665100000000 ] - [ -0.0000223500000000, 0.0000880000000000, 0.0001268800000000 ] - [ -0.0001690800000000, -0.0003437100000000, 0.0024118300000000 ] - [ -0.0000665800000000, -0.0000020600000000, 0.0002252000000000 ] - [ -0.0000365000000000, -0.0000863200000000, 0.0001328100000000 ] - [ 0.0005336500000000, -0.0000172900000000, 0.0000901400000000 ] - [ -0.0001584300000000, 0.0000004900000000, 0.0001495600000000 ] - [ -0.0000736200000000, 0.0001896100000000, 0.0000820800000000 ] - [ 0.0002615300000000, 0.0000135000000000, 0.0001774900000000 ] - [ -0.0000650900000000, -0.0000018000000000, 0.0002231900000000 ] - [ -0.0003927600000000, 0.0066019100000000, -0.0006394700000000 ] - [ -0.0013371900000000, 0.0004930600000000, 0.0020667000000000 ] - [ 0.0054510800000000, -0.0095632900000000, 0.0034673800000000 ] - [ 0.0002055700000000, 0.0002197700000000, -0.0001291800000000 ] - [ -0.0007370200000000, 0.0026630800000000, 0.0002774100000000 ] - [ 0.0023455700000000, -0.0002664800000000, -0.0010524600000000 ] - [ -0.0000515400000000, 0.0001482500000000, -0.0000567000000000 ] - [ -0.0000995200000000, -0.0000001900000000, 0.0000418400000000 ] - [ -0.0000045800000000, -0.0001044200000000, -0.0001304000000000 ] - [ -0.0000096100000000, -0.0000008300000000, -0.0000459900000000 ] - [ -0.0000556500000000, -0.0000007700000000, -0.0001428800000000 ] - [ -0.0000721300000000, -0.0000037600000000, -0.0000351000000000 ] - [ 0.0001209200000000, -0.0000001600000000, -0.0002223200000000 ] - [ -0.0000532400000000, -0.0000100600000000, -0.0000949000000000 ] - [ -0.0001544200000000, -0.0000000700000000, -0.0000241000000000 ] - [ -0.0000722100000000, 0.0000034100000000, -0.0000362700000000 ] - [ -0.0000322000000000, -0.0000000800000000, -0.0000768800000000 ] - [ -0.0000543300000000, 0.0000095300000000, -0.0000945800000000 ] - [ -0.0000158000000000, -0.0000004000000000, -0.0001150500000000 ] - [ -0.0000472600000000, -0.0000531300000000, -0.0001285400000000 ] - [ -0.0000161100000000, -0.0000003400000000, -0.0001758200000000 ] - [ -0.0000147400000000, 0.0000928400000000, -0.0000798600000000 ] - [ -0.0000288400000000, 0.0000035900000000, 0.0003755700000000 ] - [ 0.0000220800000000, 0.0000896100000000, -0.0001539500000000 ] - [ -0.0000246700000000, -0.0000005700000000, 0.0000110200000000 ] - [ 0.0000040400000000, -0.0000995600000000, -0.0000627300000000 ] - [ -0.0002710000000000, -0.0000120900000000, 0.0000807500000000 ] - [ 0.0002458600000000, 0.0020073800000000, 0.0000584600000000 ] - [ -0.0000205700000000, -0.0000009500000000, -0.0002121800000000 ] - [ 0.0000791000000000, 0.0000686000000000, 0.0001635600000000 ] - [ 0.0050488800000000, -0.0017598800000000, -0.0001899500000000 ] - [ -0.0000823400000000, 0.0006062400000000, 0.0000800300000000 ] - [ 0.0000353700000000, 0.0000419000000000, -0.0001525800000000 ] - [ 0.0000799500000000, -0.0000687600000000, 0.0001538000000000 ] - [ -0.0065527400000000, -0.0020895800000000, 0.0013475400000000 ] - [ -0.0002431800000000, -0.0006262400000000, -0.0000239100000000 ] - [ -0.0003351900000000, 0.0000249000000000, 0.0007227400000000 ] - [ 0.0338798800000000, 0.1344634000000000, 0.0249860100000000 ] - [ -0.0001114200000000, 0.0000126700000000, 0.0000790100000000 ] - [ -0.0001548800000000, 0.0005719000000000, 0.0000293700000000 ] - [ 0.0003356700000000, 0.0000184300000000, -0.0002272400000000 ] - [ -0.0005135100000000, 0.0009472700000000, 0.0000043900000000 ] - [ 0.0004681500000000, 0.0000409100000000, -0.0003827400000000 ] - [ -0.0010041500000000, -0.0020583900000000, -0.0062031900000000 ] - [ -0.0001361700000000, -0.0006644700000000, -0.0004736100000000 ] - [ -0.0000925900000000, 0.0004800400000000, -0.0002986400000000 ] - [ 0.0000021400000000, 0.0001045200000000, -0.0001446600000000 ] - [ -0.0000933400000000, 0.0000004500000000, 0.0000081800000000 ] - [ -0.0000516100000000, -0.0001484400000000, -0.0000562700000000 ] - [ -0.0000649300000000, 0.0000061800000000, -0.0001277500000000 ] - [ -0.0000608100000000, -0.0000002800000000, -0.0001179200000000 ] - [ -0.0000742700000000, -0.0000015000000000, -0.0000457600000000 ] - [ 0.0000339800000000, -0.0000096000000000, -0.0002808400000000 ] - [ -0.0000817500000000, -0.0000120800000000, -0.0001050500000000 ] - [ -0.0001422700000000, -0.0000002500000000, -0.0000470300000000 ] - [ -0.0000743700000000, 0.0000011600000000, -0.0000468900000000 ] - [ -0.0000301700000000, -0.0000000700000000, -0.0000790600000000 ] - [ -0.0000810800000000, 0.0000112100000000, -0.0001045700000000 ] - [ -0.0000013500000000, -0.0000000400000000, -0.0001312900000000 ] - [ 0.0000278200000000, -0.0000883400000000, -0.0001565400000000 ] - [ -0.0000161300000000, -0.0000002900000000, -0.0001728300000000 ] - [ 0.0000042500000000, 0.0000991600000000, -0.0000620100000000 ] - [ -0.0000174300000000, 0.0000055500000000, -0.0000116400000000 ] - [ -0.0000463200000000, 0.0000527500000000, -0.0001292200000000 ] - [ -0.0000238500000000, 0.0000039600000000, -0.0000778100000000 ] - [ -0.0000138500000000, -0.0000941100000000, -0.0000795800000000 ] - [ 0.0005048400000000, 0.0000469000000000, -0.0004130600000000 ] - [ -0.0001702100000000, -0.0008349800000000, 0.0000324700000000 ] - [ -0.0001264600000000, -0.0000150100000000, -0.0003153600000000 ] - [ -0.0002195200000000, -0.0007388800000000, -0.0002709700000000 ] - [ 0.0045343200000000, -0.0020863800000000, 0.0002965500000000 ] - [ 0.0003585900000000, -0.0011366700000000, -0.0000728700000000 ] - [ 0.0016392500000000, -0.0020851800000000, 0.0042711200000000 ] - [ -0.0001050700000000, 0.0005050600000000, -0.0001397500000000 ] - [ -0.0096397100000000, -0.0036368200000000, 0.0005244800000000 ] - [ 0.0001298000000000, 0.0020056400000000, 0.0003573600000000 ] - [ -0.0028321300000000, -0.0036648600000000, -0.0089880300000000 ] - [ -0.0008281000000000, -0.0014074300000000, -0.0000603700000000 ] - [ -0.0001445200000000, 0.0000288000000000, 0.0003479700000000 ] - [ 0.0000499900000000, -0.0011412600000000, 0.0004831900000000 ] - [ 0.0014368500000000, -0.0017978200000000, 0.0048933900000000 ] - [ 0.0027611300000000, -0.0292933100000000, 0.0019865000000000 ] - [ -0.0001545000000000, -0.0000143500000000, 0.0001607000000000 ] - [ -0.0002915000000000, 0.0000294300000000, 0.0006977700000000 ] - [ 0.0000904000000000, 0.0000814200000000, 0.0000751800000000 ] - [ 0.0000851500000000, -0.0000827700000000, 0.0000764300000000 ]- atom: 92 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0007645900000000, -0.0001376300000000, -0.0009479800000000 ] - [ -0.0001310000000000, 0.0000104800000000, -0.0007800200000000 ] - [ -0.0000519400000000, -0.0000004500000000, -0.0008352900000000 ] - [ -0.0001132000000000, 0.0000014200000000, -0.0008997200000000 ] - [ -0.0000211800000000, -0.0000686300000000, -0.0005717300000000 ] - [ -0.0000983200000000, -0.0000079700000000, -0.0009318800000000 ] - [ -0.0011468600000000, 0.0000133600000000, 0.0017705900000000 ] - [ 0.0010834400000000, -0.0009381300000000, -0.0005233100000000 ] - [ -0.0026426900000000, 0.0002063900000000, -0.0006681300000000 ] - [ -0.0008182800000000, 0.0000174600000000, 0.0019350500000000 ] - [ -0.0008018000000000, -0.0001512500000000, -0.0010358800000000 ] - [ 0.0001313200000000, 0.0000133300000000, -0.0009529500000000 ] - [ -0.0000664100000000, -0.0000010700000000, -0.0008678800000000 ] - [ -0.0001515400000000, 0.0000022000000000, -0.0009318000000000 ] - [ 0.0002059300000000, -0.0001068300000000, -0.0012518300000000 ] - [ 0.0000857000000000, -0.0000072400000000, -0.0010094600000000 ] - [ -0.0012311800000000, 0.0039035900000000, 0.0150298800000000 ] - [ -0.0022672400000000, -0.0003078900000000, -0.0010850900000000 ] - [ 0.0015343200000000, 0.0011166100000000, -0.0006473400000000 ] - [ 0.0007716300000000, -0.0013779500000000, 0.0138160500000000 ] - [ 0.0004477200000000, -0.0000421900000000, -0.0017821800000000 ] - [ 0.0002051300000000, 0.0001250800000000, -0.0008770600000000 ] - [ 0.0000252400000000, -0.0001949200000000, -0.0012368500000000 ] - [ -0.0001109200000000, 0.0000000000000000, -0.0012950600000000 ] - [ 0.0000435000000000, 0.0001951400000000, -0.0012167100000000 ] - [ -0.0000545500000000, 0.0001492800000000, -0.0013511400000000 ] - [ 0.0001961000000000, 0.0002086500000000, 0.0003847100000000 ] - [ 0.0000185400000000, 0.0000189300000000, -0.0012274300000000 ] - [ -0.0000923800000000, -0.0001411900000000, -0.0013092200000000 ] - [ 0.0040080200000000, 0.0026573600000000, -0.0028530600000000 ] - [ -0.0000692000000000, -0.0000035600000000, -0.0014314100000000 ] - [ -0.0007198800000000, -0.0000058100000000, -0.0012005600000000 ] - [ 0.0004820100000000, 0.0000687300000000, -0.0014751000000000 ] - [ 0.0000193100000000, 0.0000032200000000, -0.0013128800000000 ] - [ 0.0014617300000000, 0.0003195200000000, 0.0052006100000000 ] - [ -0.0052664200000000, 0.0009647500000000, 0.0023233900000000 ] - [ -0.0000080300000000, -0.0003636500000000, 0.0043370500000000 ] - [ 0.0005443100000000, 0.0005021900000000, -0.0056885200000000 ] - [ -0.0002323900000000, 0.0001865800000000, 0.0003683900000000 ] - [ 0.0126872600000000, 0.0235207800000000, 0.0198579100000000 ] - [ -0.0002482300000000, -0.0000103800000000, -0.0008740300000000 ] - [ 0.0000412700000000, 0.0001950400000000, -0.0023498600000000 ] - [ -0.0001935800000000, -0.0001959300000000, -0.0015039900000000 ] - [ -0.0001142900000000, -0.0000004600000000, -0.0013890200000000 ] - [ -0.0001678900000000, 0.0001961700000000, -0.0014698900000000 ] - [ -0.0000899100000000, 0.0001415600000000, -0.0013071500000000 ] - [ 0.0001873200000000, 0.0008069000000000, -0.0047684200000000 ] - [ 0.0000118200000000, 0.0000220300000000, -0.0015523700000000 ] - [ -0.0000560300000000, -0.0001490700000000, -0.0013528400000000 ] - [ -0.0015322100000000, 0.0000987600000000, 0.0001639100000000 ] - [ -0.0001912200000000, -0.0000047300000000, -0.0013749300000000 ] - [ 0.0006192400000000, -0.0000634600000000, -0.0012978800000000 ] - [ -0.0009356000000000, 0.0000205900000000, -0.0013249600000000 ] - [ -0.0000575100000000, 0.0000079700000000, -0.0014527600000000 ] - [ -0.0013447000000000, -0.0006466300000000, 0.0070091100000000 ] - [ 0.0041168300000000, -0.0029410300000000, 0.0048893600000000 ] - [ 0.0288158500000000, -0.0033940100000000, 0.0309039200000000 ] - [ -0.0004413400000000, -0.0001833100000000, 0.0003428900000000 ] - [ 0.0028169300000000, -0.0005813500000000, -0.0024725000000000 ] - [ -0.0018352800000000, 0.0003176100000000, 0.0034732600000000 ] - [ 0.0000404400000000, 0.0001142300000000, 0.0006638900000000 ] - [ -0.0001584300000000, -0.0000024100000000, 0.0012368000000000 ] - [ 0.0000285300000000, -0.0001370200000000, 0.0010634800000000 ] - [ -0.0003967100000000, -0.0000116200000000, 0.0008426900000000 ] - [ -0.0002072300000000, 0.0000030100000000, 0.0008554100000000 ] - [ 0.0000318000000000, -0.0000938900000000, 0.0008328000000000 ] - [ -0.0001205300000000, 0.0000083100000000, 0.0007663400000000 ] - [ -0.0000247800000000, 0.0000649300000000, 0.0007942700000000 ] - [ -0.0001996100000000, -0.0000013300000000, 0.0011770300000000 ] - [ 0.0000319700000000, 0.0000937500000000, 0.0008299800000000 ] - [ -0.0001948300000000, -0.0000007100000000, 0.0008510800000000 ] - [ -0.0000215300000000, -0.0000652000000000, 0.0007868700000000 ] - [ -0.0001750000000000, 0.0000014300000000, 0.0007694300000000 ] - [ 0.0001191800000000, -0.0001301100000000, 0.0006123300000000 ] - [ -0.0000712700000000, 0.0000009900000000, 0.0011003100000000 ] - [ 0.0001568500000000, 0.0002108200000000, 0.0008506400000000 ] - [ -0.0004790200000000, -0.0000801300000000, 0.0014042200000000 ] - [ 0.0000346000000000, 0.0001443700000000, 0.0008421200000000 ] - [ -0.0003205000000000, -0.0000165800000000, 0.0008151000000000 ] - [ 0.0000803900000000, -0.0001908100000000, 0.0008122500000000 ] - [ 0.0004693000000000, 0.0000340400000000, 0.0002419900000000 ] - [ -0.0069547600000000, 0.0001579300000000, 0.0033145600000000 ] - [ -0.0002830000000000, 0.0000207800000000, 0.0009831300000000 ] - [ -0.0004883900000000, -0.0000558600000000, 0.0005974500000000 ] - [ 0.0019128400000000, -0.0008306300000000, -0.0050450100000000 ] - [ 0.0015319400000000, -0.0001131600000000, -0.0005296600000000 ] - [ 0.0000605300000000, 0.0003567100000000, -0.0013481400000000 ] - [ -0.0002592900000000, 0.0000597200000000, 0.0002058200000000 ] - [ 0.0034467200000000, 0.0011924200000000, -0.0042242400000000 ] - [ 0.0013560300000000, -0.0000144400000000, -0.0008093600000000 ] - [ 0.0000583500000000, -0.0002753800000000, -0.0017135900000000 ] - [ -0.0470389100000000, -0.0286503100000000, -0.0940895800000000 ] - [ 0.0003794100000000, 0.0000116400000000, 0.0003576700000000 ] - [ 0.0013771700000000, -0.0000494800000000, -0.0006906100000000 ] - [ -0.0000750000000000, 0.0002018400000000, -0.0012224900000000 ] - [ 0.0009370000000000, -0.0001186700000000, -0.0016540200000000 ] - [ -0.0006807300000000, 0.0001789700000000, 0.0016129800000000 ] - [ 0.0018231500000000, 0.0038758300000000, 0.0063387900000000 ] - [ 0.0011236400000000, 0.0001984900000000, 0.0022016800000000 ] - [ 0.0008087900000000, -0.0002009300000000, 0.0014769700000000 ] - [ 0.0000138400000000, 0.0001365100000000, 0.0011374300000000 ] - [ -0.0001348000000000, -0.0000040000000000, 0.0013903900000000 ] - [ 0.0000721200000000, -0.0001007200000000, 0.0006116800000000 ] - [ 0.0002177200000000, -0.0000332100000000, 0.0010378200000000 ] - [ -0.0002148700000000, 0.0000021100000000, 0.0007436600000000 ] - [ 0.0000587000000000, -0.0001047400000000, 0.0008797300000000 ] - [ 0.0002343700000000, 0.0000272800000000, 0.0009303000000000 ] - [ 0.0000949000000000, 0.0000707800000000, 0.0008134200000000 ] - [ -0.0002006700000000, -0.0000012100000000, 0.0012886100000000 ] - [ 0.0000591100000000, 0.0001045300000000, 0.0008764200000000 ] - [ -0.0002032400000000, -0.0000007800000000, 0.0008555700000000 ] - [ 0.0000952000000000, -0.0000706200000000, 0.0008034600000000 ] - [ -0.0001941700000000, 0.0000006500000000, 0.0008490300000000 ] - [ 0.0000150300000000, -0.0001469600000000, 0.0008809400000000 ] - [ -0.0000701800000000, 0.0000008500000000, 0.0010926000000000 ] - [ 0.0000798000000000, 0.0001916500000000, 0.0008183700000000 ] - [ 0.0004468600000000, -0.0000224000000000, 0.0003980200000000 ] - [ 0.0001380400000000, 0.0001296100000000, 0.0005830600000000 ] - [ 0.0000224200000000, -0.0000433500000000, 0.0009591600000000 ] - [ 0.0001544100000000, -0.0002084800000000, 0.0008406800000000 ] - [ -0.0011120400000000, 0.0000662600000000, 0.0013142200000000 ] - [ 0.0018622400000000, 0.0000559900000000, -0.0007582600000000 ] - [ 0.0000607000000000, 0.0000608200000000, 0.0012832700000000 ] - [ 0.0011328500000000, 0.0004529900000000, 0.0021680700000000 ] - [ 0.0019291900000000, -0.0021761500000000, -0.0063663600000000 ] - [ -0.0020893400000000, -0.0000205400000000, -0.0016913300000000 ] - [ 0.0019338600000000, -0.0064044000000000, 0.0051582500000000 ] - [ 0.0007470700000000, -0.0002909000000000, 0.0014959700000000 ] - [ 0.0033327600000000, 0.0024989600000000, -0.0061477200000000 ] - [ -0.0065164500000000, 0.0002656600000000, 0.0053674400000000 ] - [ 0.0038136700000000, 0.0093027700000000, 0.0103996000000000 ] - [ 0.0014678400000000, 0.0002291400000000, -0.0015230000000000 ] - [ -0.0006595400000000, -0.0002098600000000, 0.0017107700000000 ] - [ -0.0021082300000000, -0.0005314300000000, -0.0014866700000000 ] - [ 0.0028824900000000, -0.0050231800000000, 0.0064241400000000 ] - [ -0.0020955900000000, 0.0022765700000000, -0.0071827900000000 ] - [ 0.0003864400000000, -0.0000226800000000, 0.0002023400000000 ] - [ -0.0001558000000000, -0.0002332600000000, -0.0019127900000000 ] - [ -0.0007754600000000, -0.0001282000000000, 0.0005588500000000 ] - [ -0.0004022000000000, 0.0000274000000000, 0.0001662100000000 ]- atom: 92 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0007012700000000, 0.0001309500000000, 0.0007925400000000 ] - [ -0.0000244500000000, -0.0000097000000000, 0.0007479600000000 ] - [ -0.0000655800000000, 0.0000010100000000, 0.0008176400000000 ] - [ -0.0000857600000000, -0.0000008800000000, 0.0009884300000000 ] - [ 0.0000068400000000, 0.0000685400000000, 0.0005428800000000 ] - [ 0.0001685400000000, 0.0000082500000000, 0.0009258400000000 ] - [ 0.0011956300000000, -0.0000115400000000, -0.0017195900000000 ] - [ -0.0010781600000000, 0.0009370000000000, 0.0004675000000000 ] - [ 0.0026035200000000, -0.0002080500000000, 0.0005895500000000 ] - [ 0.0010577100000000, -0.0000151800000000, -0.0019963000000000 ] - [ 0.0008716100000000, 0.0001444700000000, 0.0008807900000000 ] - [ -0.0002878900000000, -0.0000124700000000, 0.0009210900000000 ] - [ -0.0000503000000000, 0.0000016900000000, 0.0008502900000000 ] - [ -0.0000467800000000, -0.0000015400000000, 0.0010201700000000 ] - [ -0.0002187800000000, 0.0001067900000000, 0.0012206800000000 ] - [ -0.0000150500000000, 0.0000077400000000, 0.0010022400000000 ] - [ 0.0010265200000000, -0.0035233700000000, -0.0147471900000000 ] - [ 0.0022605500000000, 0.0003050600000000, 0.0010269300000000 ] - [ -0.0015874500000000, -0.0011213200000000, 0.0005686700000000 ] - [ -0.0002531400000000, 0.0017999200000000, -0.0141674500000000 ] - [ -0.0003310800000000, 0.0000422900000000, 0.0017500200000000 ] - [ -0.0000418400000000, -0.0001253900000000, 0.0008642600000000 ] - [ 0.0000119200000000, -0.0001031700000000, 0.0012103200000000 ] - [ -0.0002014200000000, -0.0000001200000000, 0.0014213500000000 ] - [ -0.0000062900000000, 0.0001031100000000, 0.0011942200000000 ] - [ -0.0000153600000000, 0.0000305100000000, 0.0013317500000000 ] - [ -0.0001941700000000, -0.0002080000000000, -0.0003343500000000 ] - [ -0.0001092700000000, -0.0000189100000000, 0.0012808500000000 ] - [ 0.0000221300000000, -0.0000384000000000, 0.0012898600000000 ] - [ -0.0038784800000000, -0.0026450700000000, 0.0027184500000000 ] - [ -0.0002692200000000, 0.0000037300000000, 0.0014430200000000 ] - [ 0.0007620500000000, -0.0000768900000000, 0.0011797300000000 ] - [ -0.0004347900000000, 0.0000143700000000, 0.0014529000000000 ] - [ -0.0001435300000000, -0.0000030600000000, 0.0013759400000000 ] - [ -0.0012016000000000, -0.0003445700000000, -0.0052105000000000 ] - [ 0.0052108700000000, -0.0009776500000000, -0.0023628000000000 ] - [ 0.0002751300000000, 0.0003885100000000, -0.0043504700000000 ] - [ -0.0005005400000000, -0.0004785100000000, 0.0056414800000000 ] - [ 0.0002828900000000, -0.0002137700000000, -0.0004603600000000 ] - [ -0.0127915000000000, -0.0239847500000000, -0.0197549800000000 ] - [ 0.0003677600000000, 0.0000103900000000, 0.0008380000000000 ] - [ 0.0001226400000000, -0.0001955600000000, 0.0023432900000000 ] - [ 0.0002317400000000, -0.0001021000000000, 0.0014786600000000 ] - [ -0.0001981000000000, 0.0000004000000000, 0.0015156200000000 ] - [ 0.0002060800000000, 0.0001020500000000, 0.0014484600000000 ] - [ 0.0000196100000000, 0.0000382000000000, 0.0012879700000000 ] - [ -0.0001851700000000, -0.0008000800000000, 0.0048016900000000 ] - [ -0.0001024300000000, -0.0000219700000000, 0.0016043600000000 ] - [ -0.0000138900000000, -0.0000305800000000, 0.0013332800000000 ] - [ 0.0016326500000000, -0.0000963800000000, -0.0002806800000000 ] - [ -0.0001459200000000, 0.0000047800000000, 0.0013857600000000 ] - [ -0.0005716800000000, -0.0000194800000000, 0.0012763400000000 ] - [ 0.0009766400000000, 0.0000624000000000, 0.0013030000000000 ] - [ -0.0000666200000000, -0.0000077800000000, 0.0015154500000000 ] - [ 0.0016155200000000, 0.0006155600000000, -0.0069820800000000 ] - [ -0.0042106400000000, 0.0029503100000000, -0.0049364500000000 ] - [ -0.0269163600000000, 0.0032843000000000, -0.0301309700000000 ] - [ 0.0004922500000000, 0.0002105000000000, -0.0004341400000000 ] - [ -0.0027821000000000, 0.0005563600000000, 0.0023895100000000 ] - [ 0.0019427300000000, -0.0003208500000000, -0.0035141800000000 ] - [ -0.0000907700000000, 0.0001566200000000, -0.0006738700000000 ] - [ -0.0000409000000000, 0.0000024700000000, -0.0009501500000000 ] - [ -0.0000790000000000, -0.0001339400000000, -0.0010766900000000 ] - [ 0.0003409800000000, 0.0000117900000000, -0.0008646500000000 ] - [ 0.0000560500000000, -0.0000030500000000, -0.0009333800000000 ] - [ -0.0001563300000000, 0.0000721500000000, -0.0007429200000000 ] - [ 0.0002682700000000, -0.0000082000000000, -0.0010064100000000 ] - [ -0.0000887700000000, -0.0000653000000000, -0.0008187000000000 ] - [ -0.0001034800000000, 0.0000013700000000, -0.0010210100000000 ] - [ -0.0001566500000000, -0.0000717900000000, -0.0007427700000000 ] - [ 0.0001026300000000, 0.0000008100000000, -0.0008302600000000 ] - [ -0.0000920200000000, 0.0000656600000000, -0.0008130100000000 ] - [ 0.0001155300000000, -0.0000014500000000, -0.0008322300000000 ] - [ -0.0001370300000000, 0.0000044200000000, -0.0007474600000000 ] - [ 0.0000275900000000, -0.0000009200000000, -0.0012016600000000 ] - [ -0.0001397700000000, 0.0000096300000000, -0.0008166500000000 ] - [ 0.0006029900000000, 0.0000806100000000, -0.0013791300000000 ] - [ -0.0000528200000000, -0.0000183100000000, -0.0009784200000000 ] - [ 0.0002826500000000, 0.0000166600000000, -0.0007630100000000 ] - [ -0.0000637500000000, -0.0000297400000000, -0.0007804100000000 ] - [ -0.0006322400000000, -0.0000334800000000, -0.0002084300000000 ] - [ 0.0068452800000000, -0.0001297700000000, -0.0033647300000000 ] - [ 0.0001249900000000, -0.0000205800000000, -0.0011415200000000 ] - [ 0.0005586900000000, 0.0000537100000000, -0.0003939600000000 ] - [ -0.0016143600000000, 0.0008156300000000, 0.0049924000000000 ] - [ -0.0016036300000000, 0.0000897100000000, 0.0004358500000000 ] - [ -0.0000415900000000, -0.0003548200000000, 0.0014223600000000 ] - [ 0.0003302000000000, -0.0000574900000000, -0.0000056800000000 ] - [ -0.0033327800000000, -0.0011887400000000, 0.0042497500000000 ] - [ -0.0013219300000000, 0.0000478700000000, 0.0008206200000000 ] - [ -0.0000060400000000, 0.0002742200000000, 0.0017437600000000 ] - [ 0.0457744400000000, 0.0285049400000000, 0.0931676700000000 ] - [ -0.0004167700000000, -0.0000118200000000, -0.0001070500000000 ] - [ -0.0013443900000000, 0.0000168700000000, 0.0006986200000000 ] - [ 0.0003992700000000, -0.0002030800000000, 0.0011491100000000 ] - [ -0.0007159100000000, 0.0000068400000000, 0.0016109300000000 ] - [ 0.0006625200000000, -0.0001793500000000, -0.0013933700000000 ] - [ -0.0018030300000000, -0.0039180100000000, -0.0064197300000000 ] - [ -0.0010302600000000, -0.0001477900000000, -0.0021534800000000 ] - [ -0.0007127200000000, 0.0001512800000000, -0.0014257600000000 ] - [ -0.0000639100000000, 0.0001344000000000, -0.0011495100000000 ] - [ -0.0000643800000000, 0.0000040000000000, -0.0011043100000000 ] - [ -0.0001228400000000, -0.0001702800000000, -0.0006229000000000 ] - [ -0.0002761800000000, 0.0000335100000000, -0.0010606100000000 ] - [ 0.0000636400000000, -0.0000021800000000, -0.0008211500000000 ] - [ -0.0001830200000000, 0.0000832000000000, -0.0007898500000000 ] - [ -0.0000880000000000, -0.0000272300000000, -0.0011710500000000 ] - [ -0.0002090200000000, -0.0000709500000000, -0.0008379000000000 ] - [ -0.0001018300000000, 0.0000010400000000, -0.0011320500000000 ] - [ -0.0001835300000000, -0.0000828600000000, -0.0007892100000000 ] - [ 0.0001112500000000, 0.0000008800000000, -0.0008349800000000 ] - [ -0.0002093300000000, 0.0000708900000000, -0.0008296500000000 ] - [ 0.0001348200000000, -0.0000006800000000, -0.0009116700000000 ] - [ -0.0000333800000000, 0.0000210200000000, -0.0010150900000000 ] - [ 0.0000261100000000, -0.0000007400000000, -0.0011939900000000 ] - [ -0.0000631100000000, 0.0000290900000000, -0.0007843900000000 ] - [ -0.0003187700000000, 0.0000219200000000, -0.0003775700000000 ] - [ -0.0001559500000000, -0.0000039000000000, -0.0007203800000000 ] - [ -0.0000587400000000, 0.0000431200000000, -0.0009064200000000 ] - [ -0.0001375000000000, -0.0000118100000000, -0.0008089700000000 ] - [ 0.0009409600000000, -0.0000671600000000, -0.0012751500000000 ] - [ -0.0019070800000000, -0.0000316000000000, 0.0006804900000000 ] - [ -0.0002170400000000, -0.0000602600000000, -0.0014400000000000 ] - [ -0.0010541400000000, -0.0004508600000000, -0.0019547900000000 ] - [ -0.0016920000000000, 0.0021826500000000, 0.0062941200000000 ] - [ 0.0020307100000000, -0.0000063300000000, 0.0016096200000000 ] - [ -0.0018920600000000, 0.0063203400000000, -0.0050157300000000 ] - [ -0.0006718200000000, 0.0002911200000000, -0.0012904200000000 ] - [ -0.0032799400000000, -0.0025058100000000, 0.0061396200000000 ] - [ 0.0066211500000000, -0.0002266800000000, -0.0054101400000000 ] - [ -0.0037162500000000, -0.0091577900000000, -0.0102257700000000 ] - [ -0.0012458600000000, -0.0001160200000000, 0.0014819200000000 ] - [ 0.0006278200000000, 0.0002102100000000, -0.0014661000000000 ] - [ 0.0021540900000000, 0.0004974000000000, 0.0015020800000000 ] - [ -0.0025856900000000, 0.0050970100000000, -0.0065806300000000 ] - [ 0.0023000300000000, -0.0024251800000000, 0.0071310900000000 ] - [ -0.0004098100000000, 0.0000229800000000, 0.0000235600000000 ] - [ 0.0001967300000000, 0.0002346400000000, 0.0019074000000000 ] - [ 0.0008785700000000, 0.0001791600000000, -0.0005012100000000 ] - [ 0.0005032400000000, -0.0000780000000000, -0.0001091300000000 ]- atom: 93 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0052299400000000, 0.0000000000000000, -0.0016716200000000 ] - [ 0.0016942800000000, 0.0000000000000000, -0.0007674700000000 ] - [ 0.0000233700000000, 0.0000000000000000, -0.0000405900000000 ] - [ -0.0002638500000000, 0.0000000000000000, -0.0001273300000000 ] - [ 0.0000134500000000, 0.0000000000000000, 0.0000208500000000 ] - [ 0.0000164000000000, 0.0000000000000000, 0.0000412700000000 ] - [ 0.0001381300000000, 0.0000000000000000, 0.0004130900000000 ] - [ 0.0000747400000000, 0.0000000000000000, -0.0000503200000000 ] - [ 0.0157194700000000, 0.0000000000000000, 0.0036869800000000 ] - [ 0.0028741300000000, 0.0000000000000000, -0.0000033400000000 ] - [ 0.0023191200000000, 0.0000000000000000, 0.0009936600000000 ] - [ -0.0013393600000000, 0.0000000000000000, 0.0001529000000000 ] - [ -0.0001410900000000, 0.0000000000000000, 0.0000890200000000 ] - [ -0.0000032700000000, 0.0000000000000000, 0.0002751800000000 ] - [ -0.0000278200000000, 0.0000000000000000, 0.0000265700000000 ] - [ 0.0000558300000000, 0.0000000000000000, 0.0000384500000000 ] - [ -0.0001330000000000, 0.0000000000000000, -0.0001761300000000 ] - [ -0.0000489700000000, 0.0000000000000000, 0.0000774400000000 ] - [ -0.0028434900000000, 0.0000000000000000, 0.0027016300000000 ] - [ -0.0008798800000000, 0.0000000000000000, -0.0000340300000000 ] - [ -0.0033616000000000, 0.0000000000000000, 0.0002815100000000 ] - [ 0.0027994400000000, 0.0000000000000000, -0.0040668800000000 ] - [ -0.0005958200000000, -0.0002892200000000, -0.0014511100000000 ] - [ 0.0000189300000000, 0.0000000000000000, -0.0003796600000000 ] - [ -0.0005958200000000, 0.0002892200000000, -0.0014511100000000 ] - [ 0.0000727100000000, 0.0000744900000000, 0.0001007200000000 ] - [ 0.0000530300000000, 0.0000000000000000, 0.0000991200000000 ] - [ -0.0000349500000000, 0.0000000000000000, 0.0000665600000000 ] - [ -0.0001480900000000, -0.0001196700000000, -0.0000005000000000 ] - [ -0.0000806200000000, 0.0000000000000000, -0.0001104700000000 ] - [ -0.0009050800000000, 0.0000000000000000, 0.0000886400000000 ] - [ 0.0000030800000000, -0.0000481800000000, 0.0000725700000000 ] - [ 0.0000467600000000, 0.0000407500000000, 0.0000227700000000 ] - [ -0.0000271900000000, 0.0000000000000000, 0.0000604900000000 ] - [ 0.0007575200000000, 0.0000699800000000, -0.0002617800000000 ] - [ -0.0000153800000000, 0.0000000000000000, -0.0012114900000000 ] - [ 0.0007575200000000, -0.0000699800000000, -0.0002617800000000 ] - [ -0.0043985500000000, -0.0001405500000000, -0.0022676400000000 ] - [ 0.0188466800000000, -0.0151552500000000, -0.0092184700000000 ] - [ -0.0003252500000000, 0.0000000000000000, -0.0012894800000000 ] - [ 0.0093258800000000, 0.0000000000000000, 0.0113438400000000 ] - [ -0.0055690200000000, 0.0000000000000000, 0.0032617300000000 ] - [ -0.0003201500000000, 0.0011003400000000, 0.0017371300000000 ] - [ -0.0002699300000000, 0.0000000000000000, 0.0006744900000000 ] - [ -0.0003201500000000, -0.0011003400000000, 0.0017371300000000 ] - [ -0.0001480900000000, 0.0001196700000000, -0.0000005000000000 ] - [ -0.0000570700000000, 0.0000000000000000, 0.0000705900000000 ] - [ -0.0000596100000000, 0.0000000000000000, 0.0001130500000000 ] - [ 0.0000727100000000, -0.0000744900000000, 0.0001007200000000 ] - [ 0.0001328100000000, 0.0000000000000000, 0.0001102200000000 ] - [ 0.0007239100000000, 0.0000000000000000, -0.0000213100000000 ] - [ 0.0000467600000000, -0.0000407500000000, 0.0000227700000000 ] - [ 0.0000030800000000, 0.0000481800000000, 0.0000725700000000 ] - [ -0.0000973600000000, 0.0000000000000000, 0.0001276000000000 ] - [ -0.0003799500000000, -0.0001815600000000, 0.0002350300000000 ] - [ -0.0040259000000000, 0.0000000000000000, 0.0014305000000000 ] - [ -0.0003799500000000, 0.0001815600000000, 0.0002350300000000 ] - [ 0.0188466800000000, 0.0151552500000000, -0.0092184700000000 ] - [ -0.0043985500000000, 0.0001405500000000, -0.0022676400000000 ] - [ 0.0004124400000000, 0.0000000000000000, 0.0012529700000000 ] - [ -0.0012757500000000, -0.0008624500000000, 0.0022388800000000 ] - [ -0.0001049500000000, 0.0000000000000000, 0.0010479900000000 ] - [ 0.0013404200000000, 0.0003399300000000, -0.0006739200000000 ] - [ 0.0016514600000000, 0.0000000000000000, 0.0014676000000000 ] - [ 0.0002083100000000, 0.0000000000000000, -0.0004906700000000 ] - [ -0.0000053700000000, -0.0000540400000000, 0.0001869200000000 ] - [ 0.0011174100000000, 0.0000000000000000, 0.0011855900000000 ] - [ 0.0005379700000000, 0.0000243300000000, 0.0002559000000000 ] - [ -0.0001258500000000, 0.0000000000000000, 0.0000692700000000 ] - [ -0.0000053700000000, 0.0000540400000000, 0.0001869200000000 ] - [ -0.0002398300000000, 0.0000000000000000, -0.0000100700000000 ] - [ 0.0005379700000000, -0.0000243300000000, 0.0002559000000000 ] - [ -0.0000138100000000, 0.0000000000000000, -0.0000323600000000 ] - [ -0.0000146300000000, -0.0000585300000000, -0.0001036200000000 ] - [ 0.0000983900000000, 0.0000000000000000, -0.0000598100000000 ] - [ 0.0000368700000000, 0.0001129500000000, -0.0000282500000000 ] - [ 0.0000807500000000, 0.0000000000000000, 0.0000072600000000 ] - [ -0.0000133100000000, 0.0000584600000000, -0.0001039000000000 ] - [ -0.0000276400000000, 0.0000000000000000, 0.0000003300000000 ] - [ -0.0000312600000000, -0.0001030400000000, -0.0000112700000000 ] - [ -0.0000837300000000, 0.0000000000000000, -0.0000484700000000 ] - [ 0.0000112800000000, -0.0000306500000000, 0.0001023300000000 ] - [ -0.0000886500000000, 0.0000000000000000, -0.0001188200000000 ] - [ -0.0000000400000000, -0.0000090800000000, 0.0000733100000000 ] - [ 0.0000277200000000, 0.0000000000000000, 0.0009933100000000 ] - [ -0.0000654200000000, -0.0000619300000000, -0.0002121400000000 ] - [ -0.0001918800000000, 0.0000000000000000, 0.0000041000000000 ] - [ -0.0000000400000000, 0.0000090800000000, 0.0000733100000000 ] - [ -0.0003053400000000, 0.0000000000000000, 0.0005142700000000 ] - [ -0.0028259000000000, -0.0027860500000000, 0.0038980500000000 ] - [ -0.0001231900000000, 0.0000000000000000, -0.0000949600000000 ] - [ 0.0006151900000000, 0.0001490800000000, 0.0003102800000000 ] - [ -0.0789721000000000, 0.0000000000000000, 0.0022308400000000 ] - [ -0.0028259000000000, 0.0027860500000000, 0.0038980500000000 ] - [ 0.0030815300000000, 0.0000000000000000, -0.0079368000000000 ] - [ -0.0007094200000000, -0.0001830900000000, -0.0005507100000000 ] - [ 0.0037040300000000, 0.0000000000000000, 0.0001670100000000 ] - [ 0.0013835100000000, 0.0000000000000000, 0.0020662200000000 ] - [ 0.0091257700000000, -0.0044949900000000, 0.0004177600000000 ] - [ 0.0091257700000000, 0.0044949900000000, 0.0004177600000000 ] - [ 0.0013404200000000, -0.0003399300000000, -0.0006739200000000 ] - [ 0.0004247000000000, 0.0000000000000000, -0.0009745700000000 ] - [ -0.0012757500000000, 0.0008624500000000, 0.0022388800000000 ] - [ 0.0023102500000000, 0.0000000000000000, -0.0053689900000000 ] - [ -0.0003078400000000, 0.0000000000000000, 0.0005159600000000 ] - [ -0.0001256200000000, 0.0000435400000000, -0.0001519100000000 ] - [ -0.0007872300000000, 0.0000000000000000, -0.0011418900000000 ] - [ -0.0008476100000000, 0.0000985500000000, -0.0003747800000000 ] - [ -0.0001679000000000, 0.0000000000000000, -0.0000203400000000 ] - [ -0.0001256200000000, -0.0000435400000000, -0.0001519100000000 ] - [ 0.0001895300000000, 0.0000000000000000, -0.0000892800000000 ] - [ -0.0008476100000000, -0.0000985500000000, -0.0003747800000000 ] - [ -0.0000339500000000, 0.0000000000000000, -0.0001003200000000 ] - [ -0.0000133100000000, -0.0000584600000000, -0.0001039000000000 ] - [ -0.0001443100000000, 0.0000000000000000, -0.0001225300000000 ] - [ -0.0000312600000000, 0.0001030400000000, -0.0000112700000000 ] - [ 0.0000551400000000, 0.0000000000000000, -0.0000849600000000 ] - [ -0.0000146300000000, 0.0000585300000000, -0.0001036200000000 ] - [ 0.0000053600000000, 0.0000000000000000, -0.0000249700000000 ] - [ 0.0000368700000000, -0.0001129500000000, -0.0000282500000000 ] - [ -0.0000690900000000, 0.0000000000000000, 0.0000145100000000 ] - [ -0.0000654200000000, 0.0000619300000000, -0.0002121400000000 ] - [ -0.0000651800000000, 0.0000000000000000, -0.0001425000000000 ] - [ 0.0000594000000000, 0.0000023400000000, 0.0000561600000000 ] - [ 0.0007111100000000, 0.0000000000000000, -0.0010556000000000 ] - [ 0.0000112800000000, 0.0000306500000000, 0.0001023300000000 ] - [ 0.0002370100000000, 0.0000000000000000, -0.0000627600000000 ] - [ 0.0000594000000000, -0.0000023400000000, 0.0000561600000000 ] - [ 0.0004554200000000, 0.0000000000000000, -0.0003374800000000 ] - [ 0.0019348000000000, -0.0002290800000000, -0.0001293800000000 ] - [ 0.0001684700000000, 0.0000000000000000, 0.0000230900000000 ] - [ -0.0007094200000000, 0.0001830900000000, -0.0005507100000000 ] - [ 0.0040690100000000, 0.0000000000000000, 0.0000100100000000 ] - [ 0.0019348000000000, 0.0002290800000000, -0.0001293800000000 ] - [ 0.0010815400000000, 0.0000000000000000, 0.0012530500000000 ] - [ 0.0006151900000000, -0.0001490800000000, 0.0003102800000000 ] - [ -0.0060875600000000, 0.0000000000000000, 0.0010178700000000 ] - [ -0.0004414500000000, 0.0000000000000000, -0.0019132200000000 ] - [ 0.0067010100000000, -0.0053980100000000, 0.0008790200000000 ] - [ 0.0067010100000000, 0.0053980100000000, 0.0008790200000000 ]- atom: 93 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0053258900000000, 0.0000000000000000, 0.0015276200000000 ] - [ -0.0018402900000000, 0.0000000000000000, 0.0007296600000000 ] - [ -0.0001411200000000, 0.0000000000000000, 0.0000217400000000 ] - [ 0.0000626800000000, 0.0000000000000000, 0.0002143800000000 ] - [ -0.0000283300000000, 0.0000000000000000, -0.0000515300000000 ] - [ 0.0000542300000000, 0.0000000000000000, -0.0000477400000000 ] - [ -0.0000958400000000, 0.0000000000000000, -0.0003742500000000 ] - [ -0.0000713000000000, 0.0000000000000000, -0.0000094200000000 ] - [ -0.0146228800000000, 0.0000000000000000, -0.0028823300000000 ] - [ -0.0026363600000000, 0.0000000000000000, -0.0000339100000000 ] - [ -0.0022257800000000, 0.0000000000000000, -0.0011473400000000 ] - [ 0.0011779900000000, 0.0000000000000000, -0.0001802300000000 ] - [ 0.0000243300000000, 0.0000000000000000, -0.0001068200000000 ] - [ -0.0001939300000000, 0.0000000000000000, -0.0001882400000000 ] - [ 0.0000141500000000, 0.0000000000000000, -0.0000565300000000 ] - [ 0.0000143700000000, 0.0000000000000000, -0.0000461800000000 ] - [ 0.0001788400000000, 0.0000000000000000, 0.0002140500000000 ] - [ 0.0000516400000000, 0.0000000000000000, -0.0001379500000000 ] - [ 0.0027879700000000, 0.0000000000000000, -0.0027918700000000 ] - [ 0.0011230800000000, 0.0000000000000000, -0.0000132700000000 ] - [ 0.0034724800000000, 0.0000000000000000, -0.0003002000000000 ] - [ -0.0026830100000000, 0.0000000000000000, 0.0040755500000000 ] - [ 0.0006166700000000, -0.0000098900000000, 0.0014262900000000 ] - [ -0.0003301300000000, 0.0000000000000000, 0.0005000500000000 ] - [ 0.0006166700000000, 0.0000098900000000, 0.0014262900000000 ] - [ -0.0001420400000000, 0.0001056000000000, -0.0001213900000000 ] - [ -0.0000520300000000, 0.0000000000000000, -0.0000557900000000 ] - [ -0.0000560000000000, 0.0000000000000000, -0.0000147900000000 ] - [ 0.0000769200000000, -0.0000603800000000, -0.0000199400000000 ] - [ 0.0001844800000000, 0.0000000000000000, -0.0000158500000000 ] - [ 0.0005649100000000, 0.0000000000000000, -0.0000760500000000 ] - [ 0.0000417400000000, -0.0000344400000000, -0.0000959500000000 ] - [ -0.0000017600000000, 0.0000418100000000, -0.0000460000000000 ] - [ -0.0000976000000000, 0.0000000000000000, 0.0000008400000000 ] - [ -0.0004856900000000, -0.0000987800000000, 0.0002272700000000 ] - [ -0.0000441300000000, 0.0000000000000000, 0.0011986300000000 ] - [ -0.0004856900000000, 0.0000987800000000, 0.0002272700000000 ] - [ 0.0044409000000000, 0.0001680000000000, 0.0021654500000000 ] - [ -0.0188127800000000, 0.0155075900000000, 0.0094437900000000 ] - [ 0.0004269000000000, 0.0000000000000000, 0.0012602200000000 ] - [ -0.0090190900000000, 0.0000000000000000, -0.0108825600000000 ] - [ 0.0057068300000000, 0.0000000000000000, -0.0032404400000000 ] - [ 0.0003644600000000, -0.0013987500000000, -0.0017563400000000 ] - [ -0.0000421400000000, 0.0000000000000000, -0.0005471700000000 ] - [ 0.0003644600000000, 0.0013987500000000, -0.0017563400000000 ] - [ 0.0000769200000000, 0.0000603800000000, -0.0000199400000000 ] - [ 0.0000586200000000, 0.0000000000000000, -0.0000278800000000 ] - [ -0.0000312500000000, 0.0000000000000000, -0.0000613900000000 ] - [ -0.0001420400000000, -0.0001056000000000, -0.0001213900000000 ] - [ -0.0000306800000000, 0.0000000000000000, -0.0002359700000000 ] - [ -0.0010586300000000, 0.0000000000000000, 0.0000270400000000 ] - [ -0.0000017600000000, -0.0000418100000000, -0.0000460000000000 ] - [ 0.0000417400000000, 0.0000344400000000, -0.0000959500000000 ] - [ -0.0000268800000000, 0.0000000000000000, -0.0000658500000000 ] - [ 0.0006505400000000, 0.0001539600000000, -0.0002728100000000 ] - [ 0.0039351700000000, 0.0000000000000000, -0.0014491100000000 ] - [ 0.0006505400000000, -0.0001539600000000, -0.0002728100000000 ] - [ -0.0188127800000000, -0.0155075900000000, 0.0094437900000000 ] - [ 0.0044409000000000, -0.0001680000000000, 0.0021654500000000 ] - [ -0.0003205700000000, 0.0000000000000000, -0.0012722400000000 ] - [ 0.0012431600000000, 0.0011190600000000, -0.0022307700000000 ] - [ -0.0000914800000000, 0.0000000000000000, -0.0007524900000000 ] - [ -0.0013909700000000, -0.0006111700000000, 0.0006549500000000 ] - [ -0.0016986900000000, 0.0000000000000000, -0.0015000500000000 ] - [ -0.0003607400000000, 0.0000000000000000, 0.0004115400000000 ] - [ -0.0001184200000000, 0.0000310200000000, -0.0000964100000000 ] - [ -0.0009644700000000, 0.0000000000000000, -0.0014339800000000 ] - [ -0.0006495300000000, -0.0000256400000000, -0.0002822800000000 ] - [ -0.0001776000000000, 0.0000000000000000, 0.0000882500000000 ] - [ -0.0001184200000000, -0.0000310200000000, -0.0000964100000000 ] - [ 0.0001458800000000, 0.0000000000000000, 0.0000323500000000 ] - [ -0.0006495300000000, 0.0000256400000000, -0.0002822800000000 ] - [ -0.0000461800000000, 0.0000000000000000, -0.0000289500000000 ] - [ -0.0000035700000000, -0.0000673300000000, -0.0000309100000000 ] - [ -0.0001420300000000, 0.0000000000000000, -0.0000410200000000 ] - [ -0.0000199500000000, 0.0001075700000000, 0.0000620500000000 ] - [ 0.0000454600000000, 0.0000000000000000, 0.0000188000000000 ] - [ -0.0000051500000000, 0.0000674200000000, -0.0000309300000000 ] - [ -0.0000100400000000, 0.0000000000000000, 0.0000529000000000 ] - [ 0.0000481200000000, -0.0001177300000000, 0.0000456400000000 ] - [ -0.0000823500000000, 0.0000000000000000, 0.0000863800000000 ] - [ -0.0000655200000000, 0.0000554800000000, -0.0001709300000000 ] - [ -0.0000691300000000, 0.0000000000000000, -0.0000383900000000 ] - [ 0.0000724400000000, 0.0000078300000000, 0.0001316000000000 ] - [ 0.0002306100000000, 0.0000000000000000, -0.0010585500000000 ] - [ 0.0000128400000000, 0.0000374800000000, 0.0001441600000000 ] - [ 0.0002124100000000, 0.0000000000000000, 0.0000765700000000 ] - [ 0.0000724400000000, -0.0000078300000000, 0.0001316000000000 ] - [ 0.0003877800000000, 0.0000000000000000, -0.0004954700000000 ] - [ 0.0028375000000000, 0.0028242900000000, -0.0039057800000000 ] - [ 0.0001756300000000, 0.0000000000000000, 0.0001338800000000 ] - [ -0.0003936000000000, -0.0000360900000000, -0.0003500800000000 ] - [ 0.0776353200000000, 0.0000000000000000, -0.0040605500000000 ] - [ 0.0028375000000000, -0.0028242900000000, -0.0039057800000000 ] - [ -0.0027622100000000, 0.0000000000000000, 0.0079285100000000 ] - [ 0.0009321700000000, 0.0000716000000000, 0.0005064700000000 ] - [ -0.0037198500000000, 0.0000000000000000, 0.0000556600000000 ] - [ -0.0013444700000000, 0.0000000000000000, -0.0020661900000000 ] - [ -0.0089364000000000, 0.0044834800000000, -0.0003607800000000 ] - [ -0.0089364000000000, -0.0044834800000000, -0.0003607800000000 ] - [ -0.0013909700000000, 0.0006111700000000, 0.0006549500000000 ] - [ -0.0006252300000000, 0.0000000000000000, 0.0012578000000000 ] - [ 0.0012431600000000, -0.0011190600000000, -0.0022307700000000 ] - [ -0.0023813300000000, 0.0000000000000000, 0.0053204900000000 ] - [ 0.0001594200000000, 0.0000000000000000, -0.0005895900000000 ] - [ 0.0000004100000000, -0.0000656600000000, 0.0002408000000000 ] - [ 0.0009268900000000, 0.0000000000000000, 0.0008973900000000 ] - [ 0.0007291100000000, -0.0000998000000000, 0.0003500400000000 ] - [ -0.0001356900000000, 0.0000000000000000, 0.0001776200000000 ] - [ 0.0000004100000000, 0.0000656600000000, 0.0002408000000000 ] - [ -0.0002816400000000, 0.0000000000000000, 0.0001099400000000 ] - [ 0.0007291100000000, 0.0000998000000000, 0.0003500400000000 ] - [ -0.0000261000000000, 0.0000000000000000, 0.0000388200000000 ] - [ -0.0000051500000000, -0.0000674200000000, -0.0000309300000000 ] - [ 0.0000995100000000, 0.0000000000000000, 0.0000230800000000 ] - [ 0.0000481200000000, 0.0001177300000000, 0.0000456400000000 ] - [ 0.0000713700000000, 0.0000000000000000, 0.0001112300000000 ] - [ -0.0000035700000000, 0.0000673300000000, -0.0000309100000000 ] - [ -0.0000428100000000, 0.0000000000000000, 0.0000781100000000 ] - [ -0.0000199500000000, -0.0001075700000000, 0.0000620500000000 ] - [ -0.0000986300000000, 0.0000000000000000, 0.0000232100000000 ] - [ 0.0000128400000000, -0.0000374800000000, 0.0001441600000000 ] - [ -0.0000922200000000, 0.0000000000000000, -0.0000142800000000 ] - [ 0.0000135500000000, -0.0000033200000000, 0.0001493100000000 ] - [ -0.0004494100000000, 0.0000000000000000, 0.0009957800000000 ] - [ -0.0000655200000000, -0.0000554800000000, -0.0001709300000000 ] - [ -0.0002170900000000, 0.0000000000000000, 0.0001447100000000 ] - [ 0.0000135500000000, 0.0000033200000000, 0.0001493100000000 ] - [ -0.0003661900000000, 0.0000000000000000, 0.0003588700000000 ] - [ -0.0018935700000000, 0.0002614000000000, 0.0001370500000000 ] - [ -0.0001159100000000, 0.0000000000000000, 0.0000170400000000 ] - [ 0.0009321700000000, -0.0000716000000000, 0.0005064700000000 ] - [ -0.0040967200000000, 0.0000000000000000, 0.0002360400000000 ] - [ -0.0018935700000000, -0.0002614000000000, 0.0001370500000000 ] - [ -0.0007680300000000, 0.0000000000000000, -0.0013195900000000 ] - [ -0.0003936000000000, 0.0000360900000000, -0.0003500800000000 ] - [ 0.0060714300000000, 0.0000000000000000, -0.0007926200000000 ] - [ 0.0004985500000000, 0.0000000000000000, 0.0018879100000000 ] - [ -0.0066668900000000, 0.0055274700000000, -0.0008275700000000 ] - [ -0.0066668900000000, -0.0055274700000000, -0.0008275700000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000325800000000, 0.0030444600000000, -0.0000757800000000 ] - [ -0.0000746100000000, -0.0012228600000000, -0.0000147200000000 ] - [ -0.0000598400000000, -0.0000090700000000, -0.0000089000000000 ] - [ -0.0000985500000000, -0.0000141000000000, 0.0000437100000000 ] - [ -0.0000072400000000, 0.0000008400000000, -0.0000156400000000 ] - [ 0.0000354000000000, -0.0000004100000000, -0.0000036100000000 ] - [ 0.0000228800000000, 0.0000980600000000, 0.0000196200000000 ] - [ 0.0000018100000000, 0.0000151600000000, -0.0000301000000000 ] - [ -0.0000646800000000, 0.0074049600000000, -0.0000528200000000 ] - [ 0.0001257900000000, 0.0022232700000000, -0.0000195600000000 ] - [ 0.0000042200000000, -0.0041031200000000, -0.0000718400000000 ] - [ -0.0000743200000000, 0.0000568800000000, -0.0000159800000000 ] - [ -0.0000590100000000, -0.0000037000000000, -0.0000091500000000 ] - [ -0.0000983000000000, -0.0000374400000000, 0.0000431100000000 ] - [ -0.0000068400000000, 0.0000008200000000, -0.0000153600000000 ] - [ 0.0000354000000000, 0.0000000200000000, -0.0000038600000000 ] - [ 0.0000225900000000, 0.0000210800000000, 0.0000192300000000 ] - [ 0.0000018600000000, 0.0000089900000000, -0.0000302900000000 ] - [ -0.0000205000000000, -0.0023610200000000, -0.0000404100000000 ] - [ 0.0001226200000000, -0.0000705000000000, -0.0000216200000000 ] - [ 0.0000666800000000, -0.0005203300000000, -0.0000145000000000 ] - [ 0.0001011100000000, -0.0064230800000000, 0.0000194900000000 ] - [ 0.0011918600000000, 0.0000127000000000, 0.0008361800000000 ] - [ -0.0001549000000000, 0.0000728100000000, 0.0000618400000000 ] - [ -0.0011631200000000, 0.0003165600000000, -0.0008575000000000 ] - [ -0.0000298500000000, 0.0000908100000000, -0.0000059600000000 ] - [ -0.0000029700000000, -0.0000011100000000, 0.0000189000000000 ] - [ -0.0000427700000000, 0.0000002000000000, 0.0000285700000000 ] - [ -0.0000436300000000, -0.0000901200000000, -0.0000158300000000 ] - [ 0.0000546400000000, -0.0000380700000000, -0.0000604800000000 ] - [ -0.0001728700000000, -0.0000058800000000, 0.0000043500000000 ] - [ 0.0000225400000000, -0.0000410300000000, -0.0000120700000000 ] - [ 0.0000240900000000, 0.0000410500000000, -0.0000105000000000 ] - [ -0.0000652800000000, 0.0000013500000000, 0.0000293900000000 ] - [ 0.0000278000000000, -0.0000225100000000, -0.0002579000000000 ] - [ -0.0000351000000000, -0.0054854900000000, -0.0000084900000000 ] - [ 0.0002444200000000, 0.0000082200000000, 0.0002214100000000 ] - [ -0.0008603400000000, 0.0000444700000000, -0.0008827300000000 ] - [ -0.0141911300000000, 0.0250249100000000, 0.0150272000000000 ] - [ 0.0000429300000000, 0.0002622000000000, -0.0000162700000000 ] - [ 0.0000647200000000, 0.0053161500000000, 0.0002590300000000 ] - [ 0.0000906500000000, 0.0021015000000000, 0.0000005100000000 ] - [ 0.0000211200000000, -0.0000960700000000, -0.0000743400000000 ] - [ -0.0001542700000000, 0.0000139300000000, 0.0000603200000000 ] - [ 0.0000125900000000, 0.0002210500000000, 0.0000472100000000 ] - [ -0.0000245400000000, 0.0000912200000000, -0.0000034700000000 ] - [ -0.0000025200000000, 0.0000012300000000, 0.0000190000000000 ] - [ -0.0000414900000000, -0.0000006200000000, 0.0000287700000000 ] - [ -0.0000381400000000, -0.0000906800000000, -0.0000139500000000 ] - [ 0.0000548500000000, -0.0000289600000000, -0.0000609500000000 ] - [ -0.0001745000000000, 0.0001323400000000, 0.0000022000000000 ] - [ 0.0000218400000000, -0.0000413000000000, -0.0000139400000000 ] - [ 0.0000232800000000, 0.0000412400000000, -0.0000110500000000 ] - [ -0.0000648400000000, 0.0000017400000000, 0.0000294500000000 ] - [ 0.0001279000000000, -0.0000169500000000, -0.0000073500000000 ] - [ -0.0000438100000000, 0.0000106000000000, -0.0000060600000000 ] - [ 0.0001435100000000, 0.0000139000000000, -0.0000290200000000 ] - [ 0.0133594700000000, 0.0239048500000000, -0.0140704700000000 ] - [ 0.0009129500000000, 0.0000234900000000, 0.0007957800000000 ] - [ 0.0000428100000000, -0.0003158000000000, -0.0000172000000000 ] - [ -0.0019773500000000, 0.0024538700000000, -0.0033070100000000 ] - [ -0.0001024700000000, 0.0006704100000000, 0.0001391000000000 ] - [ 0.0000617100000000, -0.0000986700000000, -0.0003124100000000 ] - [ -0.0000347800000000, 0.0008517000000000, -0.0000092200000000 ] - [ -0.0000732900000000, 0.0000179700000000, -0.0000377800000000 ] - [ -0.0000816400000000, 0.0000030400000000, 0.0000164200000000 ] - [ 0.0000764600000000, -0.0007098500000000, -0.0001204700000000 ] - [ -0.0000815600000000, -0.0000039400000000, -0.0000160700000000 ] - [ -0.0001511500000000, 0.0000057100000000, 0.0000803000000000 ] - [ -0.0000455800000000, 0.0000208300000000, 0.0000706400000000 ] - [ -0.0000444900000000, -0.0000048600000000, 0.0000095500000000 ] - [ -0.0000268400000000, 0.0000013400000000, -0.0000098300000000 ] - [ -0.0000294900000000, -0.0000040000000000, -0.0000311600000000 ] - [ -0.0000116900000000, -0.0000574200000000, -0.0000695400000000 ] - [ -0.0000218200000000, -0.0000038100000000, -0.0000477400000000 ] - [ 0.0000092000000000, 0.0001116600000000, 0.0000164700000000 ] - [ 0.0000644200000000, 0.0000055200000000, 0.0000161200000000 ] - [ -0.0000111600000000, 0.0000577200000000, -0.0000696100000000 ] - [ -0.0000144600000000, -0.0000001900000000, 0.0000255000000000 ] - [ 0.0000079000000000, -0.0001115100000000, 0.0000179100000000 ] - [ -0.0000869300000000, -0.0000020200000000, 0.0000182500000000 ] - [ -0.0000604100000000, 0.0000300800000000, -0.0000869100000000 ] - [ -0.0000795000000000, 0.0000000200000000, -0.0000814300000000 ] - [ 0.0000402500000000, 0.0000050400000000, 0.0001007500000000 ] - [ 0.0001309200000000, 0.0006555600000000, -0.0000291800000000 ] - [ -0.0000455700000000, -0.0000170200000000, -0.0000150900000000 ] - [ 0.0000143100000000, 0.0000057300000000, 0.0000398200000000 ] - [ 0.0000363000000000, -0.0000058400000000, 0.0001047300000000 ] - [ 0.0000377000000000, -0.0006020500000000, 0.0000111300000000 ] - [ -0.0039081800000000, 0.0033161300000000, -0.0080932200000000 ] - [ 0.0000247400000000, -0.0000007900000000, 0.0000143900000000 ] - [ 0.0001014000000000, 0.0000498600000000, -0.0000060900000000 ] - [ 0.0009017200000000, -0.0895054000000000, -0.0012034400000000 ] - [ 0.0039854400000000, 0.0032503100000000, 0.0081507100000000 ] - [ 0.0001682000000000, -0.0048945700000000, -0.0000449200000000 ] - [ -0.0001863100000000, -0.0000948300000000, 0.0002342100000000 ] - [ -0.0000109600000000, -0.0011621500000000, 0.0001124700000000 ] - [ 0.0000149700000000, -0.0008382900000000, -0.0000123400000000 ] - [ -0.0055436100000000, 0.0010242500000000, -0.0001126700000000 ] - [ 0.0056649000000000, 0.0009494800000000, 0.0001761900000000 ] - [ -0.0001144200000000, 0.0001655300000000, 0.0003080200000000 ] - [ -0.0001047800000000, 0.0000173000000000, 0.0001423500000000 ] - [ 0.0019258800000000, 0.0022046700000000, 0.0032855500000000 ] - [ -0.0000491100000000, -0.0015239500000000, 0.0000095200000000 ] - [ -0.0000727200000000, -0.0003491000000000, -0.0000382100000000 ] - [ -0.0000589400000000, -0.0000084500000000, 0.0000344100000000 ] - [ 0.0000813800000000, 0.0005085500000000, -0.0001246500000000 ] - [ 0.0001142200000000, -0.0000080200000000, -0.0001025300000000 ] - [ -0.0001507400000000, 0.0000014100000000, 0.0000804400000000 ] - [ -0.0000682600000000, 0.0000088400000000, 0.0000527900000000 ] - [ -0.0000452400000000, 0.0000037200000000, 0.0000096500000000 ] - [ -0.0002208400000000, -0.0000006900000000, 0.0000780200000000 ] - [ -0.0000297700000000, -0.0000012700000000, -0.0000305100000000 ] - [ -0.0000114000000000, -0.0000578200000000, -0.0000701800000000 ] - [ -0.0000214600000000, 0.0000003000000000, -0.0000474900000000 ] - [ 0.0000106500000000, 0.0001111400000000, 0.0000168300000000 ] - [ 0.0000644600000000, 0.0000016500000000, 0.0000162400000000 ] - [ -0.0000114300000000, 0.0000573200000000, -0.0000691500000000 ] - [ -0.0000145400000000, 0.0000000900000000, 0.0000257000000000 ] - [ 0.0000084500000000, -0.0001122200000000, 0.0000172500000000 ] - [ -0.0000871200000000, -0.0000053200000000, 0.0000183300000000 ] - [ -0.0000112300000000, 0.0000177000000000, -0.0000573900000000 ] - [ -0.0000790500000000, -0.0000003500000000, -0.0000815100000000 ] - [ 0.0000398900000000, 0.0000043000000000, 0.0001018800000000 ] - [ 0.0001322700000000, 0.0000200600000000, -0.0000307500000000 ] - [ 0.0000030200000000, -0.0000051900000000, 0.0000149000000000 ] - [ 0.0000143800000000, -0.0000049900000000, 0.0000395400000000 ] - [ 0.0000370600000000, -0.0000047800000000, 0.0001039800000000 ] - [ 0.0000380100000000, 0.0000182200000000, 0.0000105000000000 ] - [ -0.0001723800000000, -0.0000061100000000, 0.0002923300000000 ] - [ 0.0000255000000000, 0.0000035000000000, 0.0000149700000000 ] - [ 0.0004123500000000, 0.0000343000000000, -0.0002754000000000 ] - [ -0.0000168900000000, 0.0012813900000000, 0.0001251800000000 ] - [ 0.0002127500000000, -0.0000453800000000, -0.0002915700000000 ] - [ 0.0001608500000000, 0.0009330400000000, -0.0000400900000000 ] - [ 0.0001266900000000, -0.0000759900000000, -0.0000345800000000 ] - [ -0.0000137900000000, 0.0232413100000000, 0.0000979800000000 ] - [ 0.0000255200000000, 0.0019222500000000, -0.0000206900000000 ] - [ -0.0061739200000000, 0.0033745000000000, -0.0013873000000000 ] - [ 0.0061964800000000, 0.0033266500000000, 0.0014314900000000 ]- atom: 93 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0019431400000000, 0.0000000000000000, 0.0032419000000000 ] - [ 0.0025436000000000, 0.0000000000000000, -0.0021890600000000 ] - [ -0.0000565200000000, 0.0000000000000000, -0.0011956200000000 ] - [ -0.0005962400000000, 0.0000000000000000, -0.0010342700000000 ] - [ 0.0000003700000000, 0.0000000000000000, -0.0011597600000000 ] - [ -0.0000204400000000, 0.0000000000000000, -0.0012739100000000 ] - [ 0.0003615600000000, 0.0000000000000000, -0.0013466300000000 ] - [ -0.0000912900000000, 0.0000000000000000, -0.0014395400000000 ] - [ 0.0078494100000000, 0.0000000000000000, 0.0165894900000000 ] - [ 0.0005613600000000, 0.0000000000000000, -0.0037839200000000 ] - [ 0.0008205100000000, 0.0000000000000000, 0.0042457300000000 ] - [ -0.0004001100000000, 0.0000000000000000, 0.0002655800000000 ] - [ -0.0000058400000000, 0.0000000000000000, -0.0010655200000000 ] - [ 0.0003162200000000, 0.0000000000000000, -0.0012281700000000 ] - [ -0.0000491200000000, 0.0000000000000000, -0.0011139900000000 ] - [ 0.0000029900000000, 0.0000000000000000, -0.0013106000000000 ] - [ -0.0008315600000000, 0.0000000000000000, -0.0009523400000000 ] - [ 0.0000058600000000, 0.0000000000000000, -0.0012659200000000 ] - [ 0.0004638000000000, 0.0000000000000000, 0.0032038500000000 ] - [ -0.0001303100000000, 0.0000000000000000, 0.0000460000000000 ] - [ -0.0007223800000000, 0.0000000000000000, 0.0040117800000000 ] - [ -0.0027291000000000, 0.0000000000000000, 0.0093244000000000 ] - [ -0.0041147200000000, -0.0004351300000000, -0.0014989800000000 ] - [ -0.0001980700000000, 0.0000000000000000, -0.0024773800000000 ] - [ -0.0041147200000000, 0.0004351300000000, -0.0014989800000000 ] - [ 0.0000423400000000, 0.0001387800000000, -0.0018353300000000 ] - [ 0.0001113300000000, 0.0000000000000000, -0.0019540600000000 ] - [ 0.0000106100000000, 0.0000000000000000, -0.0018509500000000 ] - [ -0.0002568600000000, -0.0001127100000000, -0.0017017100000000 ] - [ -0.0002036400000000, 0.0000000000000000, -0.0018457100000000 ] - [ -0.0003505800000000, 0.0000000000000000, -0.0010800200000000 ] - [ 0.0000151600000000, 0.0000430900000000, -0.0017432600000000 ] - [ -0.0000437200000000, -0.0000597100000000, -0.0018008300000000 ] - [ -0.0000372100000000, 0.0000000000000000, -0.0018704100000000 ] - [ 0.0002513600000000, 0.0004853500000000, -0.0025463600000000 ] - [ -0.0052791400000000, 0.0000000000000000, -0.0005767000000000 ] - [ 0.0002513600000000, -0.0004853500000000, -0.0025463600000000 ] - [ -0.0006502400000000, 0.0000494200000000, 0.0043086600000000 ] - [ -0.0057120100000000, 0.0129449000000000, 0.0228660700000000 ] - [ -0.0014380900000000, 0.0000000000000000, -0.0002028400000000 ] - [ 0.0106924400000000, 0.0000000000000000, 0.0987912700000000 ] - [ 0.0031718000000000, 0.0000000000000000, 0.0066260700000000 ] - [ 0.0023219400000000, -0.0023967000000000, -0.0011522300000000 ] - [ -0.0000109600000000, 0.0000000000000000, -0.0016790200000000 ] - [ 0.0023219400000000, 0.0023967000000000, -0.0011522300000000 ] - [ -0.0002568600000000, 0.0001127100000000, -0.0017017100000000 ] - [ -0.0000020800000000, 0.0000000000000000, -0.0016516400000000 ] - [ 0.0000149500000000, 0.0000000000000000, -0.0018216400000000 ] - [ 0.0000423400000000, -0.0001387800000000, -0.0018353300000000 ] - [ 0.0004288200000000, 0.0000000000000000, -0.0019501500000000 ] - [ 0.0000791000000000, 0.0000000000000000, -0.0028013500000000 ] - [ -0.0000437200000000, 0.0000597100000000, -0.0018008300000000 ] - [ 0.0000151600000000, -0.0000430900000000, -0.0017432600000000 ] - [ 0.0000165000000000, 0.0000000000000000, -0.0017895200000000 ] - [ 0.0003480100000000, 0.0002926200000000, -0.0012423800000000 ] - [ 0.0051191300000000, 0.0000000000000000, 0.0003436300000000 ] - [ 0.0003480100000000, -0.0002926200000000, -0.0012423800000000 ] - [ -0.0057120100000000, -0.0129449000000000, 0.0228660700000000 ] - [ -0.0006502400000000, -0.0000494200000000, 0.0043086600000000 ] - [ 0.0017363100000000, 0.0000000000000000, -0.0008349800000000 ] - [ 0.0046038200000000, -0.0062107800000000, 0.0050968000000000 ] - [ 0.0009005600000000, 0.0000000000000000, 0.0033600400000000 ] - [ -0.0008799200000000, -0.0005987500000000, -0.0018903000000000 ] - [ 0.0024447100000000, 0.0000000000000000, -0.0020040800000000 ] - [ -0.0005851900000000, 0.0000000000000000, 0.0003629800000000 ] - [ 0.0002939400000000, -0.0002236400000000, 0.0012574700000000 ] - [ 0.0017929600000000, 0.0000000000000000, -0.0012857200000000 ] - [ 0.0004451700000000, 0.0001018800000000, 0.0004198000000000 ] - [ -0.0001741300000000, 0.0000000000000000, 0.0016687100000000 ] - [ 0.0002939400000000, 0.0002236400000000, 0.0012574700000000 ] - [ -0.0003922900000000, 0.0000000000000000, 0.0013153700000000 ] - [ 0.0004451700000000, -0.0001018800000000, 0.0004198000000000 ] - [ -0.0001778000000000, 0.0000000000000000, 0.0010804300000000 ] - [ 0.0001287600000000, -0.0001753200000000, 0.0010104000000000 ] - [ -0.0000177400000000, 0.0000000000000000, 0.0011713000000000 ] - [ 0.0001343300000000, 0.0002154100000000, 0.0010459900000000 ] - [ 0.0000422200000000, 0.0000000000000000, 0.0016055400000000 ] - [ 0.0001374600000000, 0.0001766900000000, 0.0010108600000000 ] - [ -0.0002164100000000, 0.0000000000000000, 0.0011716500000000 ] - [ 0.0001584000000000, -0.0002319200000000, 0.0011351300000000 ] - [ -0.0003447800000000, 0.0000000000000000, 0.0011361200000000 ] - [ 0.0004068800000000, -0.0002128600000000, 0.0012298600000000 ] - [ -0.0001373700000000, 0.0000000000000000, 0.0014780900000000 ] - [ 0.0001912900000000, 0.0001273500000000, 0.0012390000000000 ] - [ 0.0008819800000000, 0.0000000000000000, 0.0034372200000000 ] - [ -0.0000995800000000, 0.0001018200000000, 0.0009612700000000 ] - [ -0.0003593600000000, 0.0000000000000000, 0.0014351600000000 ] - [ 0.0001912900000000, -0.0001273500000000, 0.0012390000000000 ] - [ 0.0007101100000000, 0.0000000000000000, 0.0015826100000000 ] - [ 0.0058267900000000, -0.0090873900000000, 0.0099307200000000 ] - [ -0.0001114900000000, 0.0000000000000000, 0.0016939800000000 ] - [ 0.0004588600000000, 0.0001210600000000, 0.0002168200000000 ] - [ -0.0076462600000000, 0.0000000000000000, -0.1866857300000000 ] - [ 0.0058267900000000, 0.0090873900000000, 0.0099307200000000 ] - [ -0.0108109400000000, 0.0000000000000000, 0.0075411000000000 ] - [ -0.0003253900000000, 0.0001372300000000, 0.0015343700000000 ] - [ 0.0003497700000000, 0.0000000000000000, -0.0025077000000000 ] - [ 0.0019986500000000, 0.0000000000000000, -0.0017470200000000 ] - [ 0.0004156300000000, -0.0001642200000000, -0.0050216000000000 ] - [ 0.0004156300000000, 0.0001642200000000, -0.0050216000000000 ] - [ -0.0008799200000000, 0.0005987500000000, -0.0018903000000000 ] - [ -0.0010988400000000, 0.0000000000000000, 0.0016920200000000 ] - [ 0.0046038200000000, 0.0062107800000000, 0.0050968000000000 ] - [ -0.0097406400000000, 0.0000000000000000, 0.0054824400000000 ] - [ 0.0004314800000000, 0.0000000000000000, 0.0013466700000000 ] - [ -0.0000669000000000, -0.0001263200000000, 0.0010464600000000 ] - [ -0.0012303800000000, 0.0000000000000000, -0.0013745800000000 ] - [ -0.0004944900000000, -0.0001637800000000, 0.0012984500000000 ] - [ -0.0002548300000000, 0.0000000000000000, 0.0016305100000000 ] - [ -0.0000669000000000, 0.0001263200000000, 0.0010464600000000 ] - [ -0.0002200900000000, 0.0000000000000000, 0.0010040500000000 ] - [ -0.0004944900000000, 0.0001637800000000, 0.0012984500000000 ] - [ -0.0002727800000000, 0.0000000000000000, 0.0010880300000000 ] - [ 0.0001374600000000, -0.0001766900000000, 0.0010108600000000 ] - [ -0.0001343100000000, 0.0000000000000000, 0.0016075200000000 ] - [ 0.0001584000000000, 0.0002319200000000, 0.0011351300000000 ] - [ -0.0000481200000000, 0.0000000000000000, 0.0015655500000000 ] - [ 0.0001287600000000, 0.0001753200000000, 0.0010104000000000 ] - [ -0.0002255700000000, 0.0000000000000000, 0.0011269700000000 ] - [ 0.0001343300000000, -0.0002154100000000, 0.0010459900000000 ] - [ -0.0002135100000000, 0.0000000000000000, 0.0011302000000000 ] - [ -0.0000995800000000, -0.0001018200000000, 0.0009612700000000 ] - [ -0.0001552100000000, 0.0000000000000000, 0.0014162900000000 ] - [ 0.0001556900000000, 0.0001031700000000, 0.0011169300000000 ] - [ -0.0008170700000000, 0.0000000000000000, 0.0014633700000000 ] - [ 0.0004068800000000, 0.0002128600000000, 0.0012298600000000 ] - [ -0.0001606900000000, 0.0000000000000000, 0.0009842500000000 ] - [ 0.0001556900000000, -0.0001031700000000, 0.0011169300000000 ] - [ -0.0005044700000000, 0.0000000000000000, 0.0003691300000000 ] - [ -0.0007995500000000, 0.0006272700000000, -0.0015917600000000 ] - [ 0.0000203000000000, 0.0000000000000000, 0.0011845200000000 ] - [ -0.0003253900000000, -0.0001372300000000, 0.0015343700000000 ] - [ 0.0004671600000000, 0.0000000000000000, -0.0033305400000000 ] - [ -0.0007995500000000, -0.0006272700000000, -0.0015917600000000 ] - [ 0.0029302500000000, 0.0000000000000000, -0.0021872100000000 ] - [ 0.0004588600000000, -0.0001210600000000, 0.0002168200000000 ] - [ 0.0000163000000000, 0.0000000000000000, -0.0087756300000000 ] - [ -0.0015632900000000, 0.0000000000000000, -0.0019055000000000 ] - [ -0.0001843400000000, -0.0009762300000000, -0.0063363700000000 ] - [ -0.0001843400000000, 0.0009762300000000, -0.0063363700000000 ]- atom: 93 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0020032200000000, 0.0000000000000000, -0.0034359100000000 ] - [ -0.0027135900000000, 0.0000000000000000, 0.0021667300000000 ] - [ -0.0000621100000000, 0.0000000000000000, 0.0011820800000000 ] - [ 0.0004018400000000, 0.0000000000000000, 0.0011235300000000 ] - [ -0.0000149500000000, 0.0000000000000000, 0.0011330900000000 ] - [ 0.0000911600000000, 0.0000000000000000, 0.0012712100000000 ] - [ -0.0003175200000000, 0.0000000000000000, 0.0013892200000000 ] - [ 0.0000948400000000, 0.0000000000000000, 0.0013833900000000 ] - [ -0.0070710500000000, 0.0000000000000000, -0.0162241200000000 ] - [ -0.0003103400000000, 0.0000000000000000, 0.0037422100000000 ] - [ -0.0007412600000000, 0.0000000000000000, -0.0044417300000000 ] - [ 0.0002489000000000, 0.0000000000000000, -0.0003051300000000 ] - [ -0.0001127800000000, 0.0000000000000000, 0.0010509700000000 ] - [ -0.0005171700000000, 0.0000000000000000, 0.0013189900000000 ] - [ 0.0000350100000000, 0.0000000000000000, 0.0010879000000000 ] - [ 0.0000674600000000, 0.0000000000000000, 0.0013076000000000 ] - [ 0.0008741600000000, 0.0000000000000000, 0.0009935900000000 ] - [ -0.0000023800000000, 0.0000000000000000, 0.0012100700000000 ] - [ -0.0005275600000000, 0.0000000000000000, -0.0032559200000000 ] - [ 0.0003727400000000, 0.0000000000000000, -0.0000836200000000 ] - [ 0.0008454200000000, 0.0000000000000000, -0.0040838200000000 ] - [ 0.0029158000000000, 0.0000000000000000, -0.0094608700000000 ] - [ 0.0041817300000000, 0.0001364400000000, 0.0014770100000000 ] - [ -0.0001116300000000, 0.0000000000000000, 0.0026098400000000 ] - [ 0.0041817300000000, -0.0001364400000000, 0.0014770100000000 ] - [ -0.0001119000000000, 0.0000417000000000, 0.0018225000000000 ] - [ -0.0001141400000000, 0.0000000000000000, 0.0020015200000000 ] - [ -0.0000989000000000, 0.0000000000000000, 0.0019126500000000 ] - [ 0.0001890100000000, -0.0000681800000000, 0.0016878900000000 ] - [ 0.0003094200000000, 0.0000000000000000, 0.0017295500000000 ] - [ 0.0000088000000000, 0.0000000000000000, 0.0010900400000000 ] - [ 0.0000303200000000, -0.0001257500000000, 0.0017269300000000 ] - [ 0.0000893700000000, 0.0001424000000000, 0.0017838600000000 ] - [ -0.0000904900000000, 0.0000000000000000, 0.0019375700000000 ] - [ 0.0000238700000000, -0.0005125200000000, 0.0025138800000000 ] - [ 0.0052029300000000, 0.0000000000000000, 0.0005823500000000 ] - [ 0.0000238700000000, 0.0005125200000000, 0.0025138800000000 ] - [ 0.0007015700000000, -0.0000246900000000, -0.0043810600000000 ] - [ 0.0054212000000000, -0.0124657000000000, -0.0227615400000000 ] - [ 0.0015263700000000, 0.0000000000000000, 0.0001819600000000 ] - [ -0.0109974100000000, 0.0000000000000000, -0.1051265700000000 ] - [ -0.0030227900000000, 0.0000000000000000, -0.0066983100000000 ] - [ -0.0023041500000000, 0.0021126600000000, 0.0011291300000000 ] - [ -0.0003013100000000, 0.0000000000000000, 0.0018081900000000 ] - [ -0.0023041500000000, -0.0021126600000000, 0.0011291300000000 ] - [ 0.0001890100000000, 0.0000681800000000, 0.0016878900000000 ] - [ -0.0000006500000000, 0.0000000000000000, 0.0016992300000000 ] - [ -0.0001023600000000, 0.0000000000000000, 0.0018836100000000 ] - [ -0.0001119000000000, -0.0000417000000000, 0.0018225000000000 ] - [ -0.0003219600000000, 0.0000000000000000, 0.0018339600000000 ] - [ -0.0004227100000000, 0.0000000000000000, 0.0028257600000000 ] - [ 0.0000893700000000, -0.0001424000000000, 0.0017838600000000 ] - [ 0.0000303200000000, 0.0001257500000000, 0.0017269300000000 ] - [ -0.0001442500000000, 0.0000000000000000, 0.0018566900000000 ] - [ -0.0000770300000000, -0.0003208600000000, 0.0012128000000000 ] - [ -0.0051989000000000, 0.0000000000000000, -0.0003399700000000 ] - [ -0.0000770300000000, 0.0003208600000000, 0.0012128000000000 ] - [ 0.0054212000000000, 0.0124657000000000, -0.0227615400000000 ] - [ 0.0007015700000000, 0.0000246900000000, -0.0043810600000000 ] - [ -0.0016444900000000, 0.0000000000000000, 0.0008256300000000 ] - [ -0.0047320400000000, 0.0066018600000000, -0.0051995100000000 ] - [ -0.0011100500000000, 0.0000000000000000, -0.0030972300000000 ] - [ 0.0008401200000000, 0.0003376800000000, 0.0019018800000000 ] - [ -0.0025275600000000, 0.0000000000000000, 0.0020162300000000 ] - [ 0.0004384400000000, 0.0000000000000000, -0.0004391600000000 ] - [ -0.0004224500000000, 0.0002064300000000, -0.0011748500000000 ] - [ -0.0016587100000000, 0.0000000000000000, 0.0010688100000000 ] - [ -0.0005587300000000, -0.0001053200000000, -0.0004437500000000 ] - [ -0.0001273500000000, 0.0000000000000000, -0.0015148100000000 ] - [ -0.0004224500000000, -0.0002064300000000, -0.0011748500000000 ] - [ 0.0003049300000000, 0.0000000000000000, -0.0013008500000000 ] - [ -0.0005587300000000, 0.0001053200000000, -0.0004437500000000 ] - [ 0.0001180800000000, 0.0000000000000000, -0.0011474000000000 ] - [ -0.0001503100000000, 0.0000578100000000, -0.0011516000000000 ] - [ -0.0000266200000000, 0.0000000000000000, -0.0012717600000000 ] - [ -0.0001178200000000, 0.0000079900000000, -0.0010165900000000 ] - [ 0.0000868500000000, 0.0000000000000000, -0.0015809800000000 ] - [ -0.0001585800000000, -0.0000584400000000, -0.0011527200000000 ] - [ 0.0001857200000000, 0.0000000000000000, -0.0011235400000000 ] - [ -0.0001417200000000, 0.0000098300000000, -0.0011057400000000 ] - [ 0.0001731900000000, 0.0000000000000000, -0.0011042200000000 ] - [ -0.0004623900000000, 0.0002443000000000, -0.0013039600000000 ] - [ -0.0000216000000000, 0.0000000000000000, -0.0016448700000000 ] - [ -0.0001173600000000, -0.0001209300000000, -0.0010380800000000 ] - [ -0.0006177500000000, 0.0000000000000000, -0.0034879600000000 ] - [ 0.0000442700000000, -0.0001335400000000, -0.0010366400000000 ] - [ 0.0003850500000000, 0.0000000000000000, -0.0013583000000000 ] - [ -0.0001173600000000, 0.0001209300000000, -0.0010380800000000 ] - [ -0.0006326500000000, 0.0000000000000000, -0.0015682000000000 ] - [ -0.0057276300000000, 0.0090133900000000, -0.0098178900000000 ] - [ 0.0001605600000000, 0.0000000000000000, -0.0016699000000000 ] - [ -0.0002334100000000, 0.0000004200000000, -0.0002638200000000 ] - [ 0.0078103900000000, 0.0000000000000000, 0.1924488000000000 ] - [ -0.0057276300000000, -0.0090133900000000, -0.0098178900000000 ] - [ 0.0110297500000000, 0.0000000000000000, -0.0075601200000000 ] - [ 0.0005460500000000, -0.0002603700000000, -0.0015837600000000 ] - [ -0.0003658800000000, 0.0000000000000000, 0.0027405500000000 ] - [ -0.0019645200000000, 0.0000000000000000, 0.0017166600000000 ] - [ -0.0003697200000000, 0.0002338900000000, 0.0050981100000000 ] - [ -0.0003697200000000, -0.0002338900000000, 0.0050981100000000 ] - [ 0.0008401200000000, -0.0003376800000000, 0.0019018800000000 ] - [ 0.0009056400000000, 0.0000000000000000, -0.0014166300000000 ] - [ -0.0047320400000000, -0.0066018600000000, -0.0051995100000000 ] - [ 0.0098307700000000, 0.0000000000000000, -0.0055887900000000 ] - [ -0.0005854100000000, 0.0000000000000000, -0.0014310500000000 ] - [ -0.0000588300000000, 0.0001093500000000, -0.0009627400000000 ] - [ 0.0013892100000000, 0.0000000000000000, 0.0011552700000000 ] - [ 0.0003861000000000, 0.0001628900000000, -0.0013309600000000 ] - [ -0.0000455300000000, 0.0000000000000000, -0.0014762400000000 ] - [ -0.0000588300000000, -0.0001093500000000, -0.0009627400000000 ] - [ 0.0001319000000000, 0.0000000000000000, -0.0009870100000000 ] - [ 0.0003861000000000, -0.0001628900000000, -0.0013309600000000 ] - [ 0.0002131600000000, 0.0000000000000000, -0.0011547100000000 ] - [ -0.0001585800000000, 0.0000584400000000, -0.0011527200000000 ] - [ 0.0000906400000000, 0.0000000000000000, -0.0017118800000000 ] - [ -0.0001417200000000, -0.0000098300000000, -0.0011057400000000 ] - [ 0.0001769200000000, 0.0000000000000000, -0.0015412400000000 ] - [ -0.0001503100000000, -0.0000578100000000, -0.0011516000000000 ] - [ 0.0001954000000000, 0.0000000000000000, -0.0010785300000000 ] - [ -0.0001178200000000, -0.0000079900000000, -0.0010165900000000 ] - [ 0.0000424400000000, 0.0000000000000000, -0.0010979300000000 ] - [ 0.0000442700000000, 0.0001335400000000, -0.0010366400000000 ] - [ -0.0000032700000000, 0.0000000000000000, -0.0015834200000000 ] - [ -0.0000813400000000, -0.0000982100000000, -0.0009158200000000 ] - [ 0.0010792900000000, 0.0000000000000000, -0.0015266500000000 ] - [ -0.0004623900000000, -0.0002443000000000, -0.0013039600000000 ] - [ 0.0001879700000000, 0.0000000000000000, -0.0009080400000000 ] - [ -0.0000813400000000, 0.0000982100000000, -0.0009158200000000 ] - [ 0.0005860200000000, 0.0000000000000000, -0.0003570800000000 ] - [ 0.0008415200000000, -0.0005858300000000, 0.0015846400000000 ] - [ 0.0000309600000000, 0.0000000000000000, -0.0011589800000000 ] - [ 0.0005460500000000, 0.0002603700000000, -0.0015837600000000 ] - [ -0.0004914100000000, 0.0000000000000000, 0.0035935000000000 ] - [ 0.0008415200000000, 0.0005858300000000, 0.0015846400000000 ] - [ -0.0025958800000000, 0.0000000000000000, 0.0020984400000000 ] - [ -0.0002334100000000, -0.0000004200000000, -0.0002638200000000 ] - [ -0.0000363200000000, 0.0000000000000000, 0.0090424600000000 ] - [ 0.0016094200000000, 0.0000000000000000, 0.0018475000000000 ] - [ 0.0003364900000000, 0.0010050900000000, 0.0064404300000000 ] - [ 0.0003364900000000, -0.0010050900000000, 0.0064404300000000 ]- atom: 95 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0003004000000000, 0.0000000000000000, -0.0026386400000000 ] - [ -0.0001983800000000, 0.0000000000000000, 0.0003777200000000 ] - [ -0.0000399300000000, 0.0000000000000000, 0.0001394500000000 ] - [ -0.0000138500000000, 0.0000000000000000, 0.0001568900000000 ] - [ 0.0001358600000000, 0.0000000000000000, 0.0000522500000000 ] - [ 0.0000642000000000, 0.0000000000000000, 0.0001754300000000 ] - [ 0.0031594400000000, 0.0000000000000000, 0.0002454100000000 ] - [ -0.0001294500000000, 0.0000000000000000, -0.0002197500000000 ] - [ -0.0050044700000000, 0.0000000000000000, 0.0020703100000000 ] - [ 0.0192941700000000, 0.0000000000000000, 0.0059135200000000 ] - [ -0.0010483500000000, 0.0000000000000000, 0.0008338600000000 ] - [ -0.0000994800000000, 0.0000000000000000, -0.0001254100000000 ] - [ -0.0000795900000000, 0.0000000000000000, 0.0001407900000000 ] - [ -0.0001713100000000, 0.0000000000000000, 0.0002524200000000 ] - [ -0.0001079700000000, 0.0000000000000000, 0.0002200900000000 ] - [ 0.0000181300000000, 0.0000000000000000, 0.0001638300000000 ] - [ -0.0016007800000000, 0.0000000000000000, 0.0000951800000000 ] - [ 0.0001770300000000, 0.0000000000000000, 0.0006028100000000 ] - [ 0.0032158700000000, 0.0000000000000000, -0.0032620300000000 ] - [ -0.0025918600000000, 0.0000000000000000, 0.0032690100000000 ] - [ -0.0003159400000000, 0.0000000000000000, -0.0013453900000000 ] - [ 0.0028595800000000, 0.0000000000000000, -0.0003713500000000 ] - [ 0.0007023300000000, -0.0002187400000000, 0.0000203200000000 ] - [ -0.0001178700000000, 0.0000000000000000, 0.0003485800000000 ] - [ 0.0007023300000000, 0.0002187400000000, 0.0000203200000000 ] - [ -0.0000558300000000, 0.0000785600000000, 0.0002437100000000 ] - [ 0.0002728300000000, 0.0000000000000000, -0.0002869800000000 ] - [ 0.0000067400000000, 0.0000000000000000, 0.0002376600000000 ] - [ 0.0000013800000000, -0.0000861900000000, 0.0002038800000000 ] - [ -0.0013226300000000, 0.0000000000000000, 0.0001118700000000 ] - [ -0.0002419600000000, 0.0000000000000000, 0.0001016100000000 ] - [ 0.0001199000000000, -0.0000953900000000, 0.0003235400000000 ] - [ -0.0000947700000000, 0.0000635100000000, 0.0001220400000000 ] - [ -0.0000546100000000, 0.0000000000000000, 0.0002399700000000 ] - [ -0.0000164100000000, 0.0002039900000000, -0.0020127100000000 ] - [ -0.0061973600000000, 0.0000000000000000, -0.0036635300000000 ] - [ -0.0000164100000000, -0.0002039900000000, -0.0020127100000000 ] - [ -0.0062228400000000, 0.0000260100000000, -0.0031003700000000 ] - [ 0.0158206400000000, 0.0103843900000000, -0.0087241300000000 ] - [ -0.0045073700000000, 0.0000000000000000, -0.0000916900000000 ] - [ 0.0010542200000000, 0.0000000000000000, 0.0043289900000000 ] - [ -0.0021487400000000, 0.0000000000000000, -0.0003602700000000 ] - [ -0.0005484500000000, 0.0001092200000000, 0.0003771400000000 ] - [ -0.0002051300000000, 0.0000000000000000, 0.0003142600000000 ] - [ -0.0005484500000000, -0.0001092200000000, 0.0003771400000000 ] - [ 0.0000013800000000, 0.0000861900000000, 0.0002038800000000 ] - [ -0.0002888300000000, 0.0000000000000000, 0.0006040300000000 ] - [ -0.0001126200000000, 0.0000000000000000, 0.0003056100000000 ] - [ -0.0000558300000000, -0.0000785600000000, 0.0002437100000000 ] - [ 0.0013267700000000, 0.0000000000000000, -0.0000908400000000 ] - [ -0.0001159300000000, 0.0000000000000000, 0.0003904800000000 ] - [ -0.0000947700000000, -0.0000635100000000, 0.0001220400000000 ] - [ 0.0001199000000000, 0.0000953900000000, 0.0003235400000000 ] - [ -0.0000858300000000, 0.0000000000000000, 0.0003078900000000 ] - [ -0.0010535800000000, -0.0024085200000000, 0.0023912200000000 ] - [ 0.0792818600000000, 0.0000000000000000, -0.0184294400000000 ] - [ -0.0010535800000000, 0.0024085200000000, 0.0023912200000000 ] - [ 0.0158206400000000, -0.0103843900000000, -0.0087241300000000 ] - [ -0.0062228400000000, -0.0000260100000000, -0.0031003700000000 ] - [ 0.0048601800000000, 0.0000000000000000, -0.0004055700000000 ] - [ -0.0009767800000000, 0.0007246500000000, -0.0006859600000000 ] - [ -0.0002892900000000, 0.0000000000000000, -0.0001833200000000 ] - [ 0.0005401200000000, 0.0000473100000000, 0.0003726900000000 ] - [ -0.0003397200000000, 0.0000000000000000, 0.0007586300000000 ] - [ 0.0001006800000000, 0.0000000000000000, -0.0001483400000000 ] - [ -0.0001169700000000, 0.0000134000000000, -0.0000995500000000 ] - [ -0.0002263600000000, 0.0000000000000000, 0.0002393800000000 ] - [ -0.0000724300000000, -0.0000220200000000, -0.0000030800000000 ] - [ -0.0001583100000000, 0.0000000000000000, -0.0001246800000000 ] - [ -0.0001169700000000, -0.0000134000000000, -0.0000995500000000 ] - [ -0.0000186200000000, 0.0000000000000000, -0.0001693400000000 ] - [ -0.0000724300000000, 0.0000220200000000, -0.0000030800000000 ] - [ -0.0000270500000000, 0.0000000000000000, -0.0001669100000000 ] - [ -0.0000843600000000, -0.0000354000000000, -0.0002158500000000 ] - [ -0.0000111500000000, 0.0000000000000000, -0.0001995900000000 ] - [ -0.0000117200000000, 0.0000945900000000, -0.0001301900000000 ] - [ 0.0002925800000000, 0.0000000000000000, -0.0001770500000000 ] - [ 0.0000223500000000, 0.0000500300000000, -0.0002095100000000 ] - [ 0.0000194500000000, 0.0000000000000000, -0.0000775300000000 ] - [ -0.0000078900000000, -0.0000970200000000, -0.0001209700000000 ] - [ -0.0003065000000000, 0.0000000000000000, -0.0001468300000000 ] - [ 0.0007513100000000, -0.0001749000000000, 0.0004257500000000 ] - [ -0.0000583600000000, 0.0000000000000000, -0.0002055300000000 ] - [ 0.0000501800000000, 0.0000116800000000, 0.0001946800000000 ] - [ 0.0011900200000000, 0.0000000000000000, 0.0028617400000000 ] - [ -0.0011746200000000, -0.0005936500000000, -0.0008975400000000 ] - [ -0.0005002900000000, 0.0000000000000000, 0.0008787000000000 ] - [ 0.0000501800000000, -0.0000116800000000, 0.0001946800000000 ] - [ 0.0018856700000000, 0.0000000000000000, 0.0018323500000000 ] - [ 0.0138184300000000, -0.0100649500000000, 0.0014493000000000 ] - [ -0.0002655400000000, 0.0000000000000000, 0.0007428700000000 ] - [ 0.0020406100000000, -0.0001197300000000, -0.0005382800000000 ] - [ 0.0028968300000000, 0.0000000000000000, -0.0113463900000000 ] - [ 0.0138184300000000, 0.0100649500000000, 0.0014493000000000 ] - [ -0.1637332800000000, 0.0000000000000000, 0.0347406600000000 ] - [ -0.0019257300000000, 0.0012229200000000, 0.0030269000000000 ] - [ 0.0016387400000000, 0.0000000000000000, 0.0020581000000000 ] - [ 0.0039915200000000, 0.0000000000000000, 0.0001588000000000 ] - [ 0.0023379700000000, 0.0000982700000000, -0.0003654200000000 ] - [ 0.0023379700000000, -0.0000982700000000, -0.0003654200000000 ] - [ 0.0005401200000000, -0.0000473100000000, 0.0003726900000000 ] - [ 0.0001172900000000, 0.0000000000000000, -0.0000777100000000 ] - [ -0.0009767800000000, -0.0007246500000000, -0.0006859600000000 ] - [ 0.0012533700000000, 0.0000000000000000, -0.0011709600000000 ] - [ -0.0002154500000000, 0.0000000000000000, -0.0002015600000000 ] - [ -0.0000520200000000, 0.0000044300000000, -0.0001022300000000 ] - [ 0.0003982500000000, 0.0000000000000000, -0.0005120700000000 ] - [ -0.0000737300000000, 0.0000054700000000, -0.0002744400000000 ] - [ -0.0001273900000000, 0.0000000000000000, -0.0001380600000000 ] - [ -0.0000520200000000, -0.0000044300000000, -0.0001022300000000 ] - [ -0.0000083500000000, 0.0000000000000000, -0.0001130000000000 ] - [ -0.0000737300000000, -0.0000054700000000, -0.0002744400000000 ] - [ 0.0000193700000000, 0.0000000000000000, -0.0001902300000000 ] - [ 0.0000223500000000, -0.0000500300000000, -0.0002095100000000 ] - [ -0.0000158700000000, 0.0000000000000000, -0.0002902200000000 ] - [ -0.0000078900000000, 0.0000970200000000, -0.0001209700000000 ] - [ -0.0001182900000000, 0.0000000000000000, -0.0003394800000000 ] - [ -0.0000843600000000, 0.0000354000000000, -0.0002158500000000 ] - [ 0.0000089500000000, 0.0000000000000000, -0.0001740300000000 ] - [ -0.0000117200000000, -0.0000945900000000, -0.0001301900000000 ] - [ 0.0001553100000000, 0.0000000000000000, -0.0000732100000000 ] - [ -0.0011746200000000, 0.0005936500000000, -0.0008975400000000 ] - [ -0.0000805300000000, 0.0000000000000000, -0.0003354300000000 ] - [ 0.0000029500000000, -0.0000069400000000, -0.0002381900000000 ] - [ 0.0027106000000000, 0.0000000000000000, -0.0096561700000000 ] - [ 0.0007513100000000, 0.0001749000000000, 0.0004257500000000 ] - [ 0.0012909700000000, 0.0000000000000000, -0.0013825900000000 ] - [ 0.0000029500000000, 0.0000069400000000, -0.0002381900000000 ] - [ -0.0014296500000000, 0.0000000000000000, -0.0007401800000000 ] - [ 0.0089900300000000, -0.0063417800000000, 0.0020580000000000 ] - [ 0.0003769900000000, 0.0000000000000000, -0.0005645000000000 ] - [ -0.0019257300000000, -0.0012229200000000, 0.0030269000000000 ] - [ 0.0009096200000000, 0.0000000000000000, 0.0027635600000000 ] - [ 0.0089900300000000, 0.0063417800000000, 0.0020580000000000 ] - [ 0.0081637300000000, 0.0000000000000000, -0.0008029200000000 ] - [ 0.0020406100000000, 0.0001197300000000, -0.0005382800000000 ] - [ -0.0016268900000000, 0.0000000000000000, -0.0015046400000000 ] - [ -0.0057125800000000, 0.0000000000000000, 0.0014904800000000 ] - [ -0.0033988200000000, -0.0018785400000000, 0.0024983200000000 ] - [ -0.0033988200000000, 0.0018785400000000, 0.0024983200000000 ]- atom: 95 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0002596700000000, 0.0000000000000000, 0.0024971500000000 ] - [ 0.0000448900000000, 0.0000000000000000, -0.0004132500000000 ] - [ -0.0000776500000000, 0.0000000000000000, -0.0001596200000000 ] - [ -0.0001851200000000, 0.0000000000000000, -0.0000727100000000 ] - [ -0.0001510700000000, 0.0000000000000000, -0.0000841500000000 ] - [ 0.0000063000000000, 0.0000000000000000, -0.0001842500000000 ] - [ -0.0031351600000000, 0.0000000000000000, -0.0001993800000000 ] - [ 0.0001354900000000, 0.0000000000000000, 0.0001583600000000 ] - [ 0.0049635700000000, 0.0000000000000000, -0.0021268400000000 ] - [ -0.0179910500000000, 0.0000000000000000, -0.0050234900000000 ] - [ 0.0011288200000000, 0.0000000000000000, -0.0009856700000000 ] - [ -0.0000623400000000, 0.0000000000000000, 0.0000934600000000 ] - [ -0.0000373400000000, 0.0000000000000000, -0.0001605100000000 ] - [ -0.0000265400000000, 0.0000000000000000, -0.0001674800000000 ] - [ 0.0000943300000000, 0.0000000000000000, -0.0002521700000000 ] - [ 0.0000523100000000, 0.0000000000000000, -0.0001736600000000 ] - [ 0.0016486300000000, 0.0000000000000000, -0.0000616500000000 ] - [ -0.0001756700000000, 0.0000000000000000, -0.0006671800000000 ] - [ -0.0033208200000000, 0.0000000000000000, 0.0032235800000000 ] - [ 0.0028425400000000, 0.0000000000000000, -0.0033333600000000 ] - [ 0.0004206700000000, 0.0000000000000000, 0.0013209100000000 ] - [ -0.0026773800000000, 0.0000000000000000, 0.0003265900000000 ] - [ -0.0006654300000000, -0.0000795700000000, -0.0000535900000000 ] - [ -0.0001932500000000, 0.0000000000000000, -0.0002273700000000 ] - [ -0.0006654300000000, 0.0000795700000000, -0.0000535900000000 ] - [ -0.0000135400000000, 0.0001017100000000, -0.0002668700000000 ] - [ -0.0002728100000000, 0.0000000000000000, 0.0003306500000000 ] - [ -0.0000970800000000, 0.0000000000000000, -0.0001882100000000 ] - [ -0.0000716000000000, -0.0000940900000000, -0.0002271400000000 ] - [ 0.0014313300000000, 0.0000000000000000, -0.0002421900000000 ] - [ -0.0001003100000000, 0.0000000000000000, -0.0000947600000000 ] - [ -0.0000754800000000, 0.0000133900000000, -0.0003497200000000 ] - [ 0.0001411500000000, 0.0000185200000000, -0.0001478400000000 ] - [ -0.0000702500000000, 0.0000000000000000, -0.0001815700000000 ] - [ 0.0003065700000000, -0.0002314900000000, 0.0019787800000000 ] - [ 0.0061407500000000, 0.0000000000000000, 0.0036437900000000 ] - [ 0.0003065700000000, 0.0002314900000000, 0.0019787800000000 ] - [ 0.0062946200000000, 0.0000057100000000, 0.0030516900000000 ] - [ -0.0158131800000000, -0.0101947600000000, 0.0084738500000000 ] - [ 0.0046204300000000, 0.0000000000000000, 0.0000606100000000 ] - [ -0.0009246900000000, 0.0000000000000000, -0.0043827500000000 ] - [ 0.0023187900000000, 0.0000000000000000, 0.0003581900000000 ] - [ 0.0005893500000000, -0.0004067800000000, -0.0004015200000000 ] - [ -0.0001065800000000, 0.0000000000000000, -0.0001908100000000 ] - [ 0.0005893500000000, 0.0004067800000000, -0.0004015200000000 ] - [ -0.0000716000000000, 0.0000940900000000, -0.0002271400000000 ] - [ 0.0002906300000000, 0.0000000000000000, -0.0005661100000000 ] - [ 0.0000227300000000, 0.0000000000000000, -0.0002565700000000 ] - [ -0.0000135400000000, -0.0001017100000000, -0.0002668700000000 ] - [ -0.0012300500000000, 0.0000000000000000, -0.0000333200000000 ] - [ -0.0002217400000000, 0.0000000000000000, -0.0003848900000000 ] - [ 0.0001411500000000, -0.0000185200000000, -0.0001478400000000 ] - [ -0.0000754800000000, -0.0000133900000000, -0.0003497200000000 ] - [ -0.0000387200000000, 0.0000000000000000, -0.0002495000000000 ] - [ 0.0013258800000000, 0.0023939600000000, -0.0024402900000000 ] - [ -0.0842750900000000, 0.0000000000000000, 0.0200914900000000 ] - [ 0.0013258800000000, -0.0023939600000000, -0.0024402900000000 ] - [ -0.0158131800000000, 0.0101947600000000, 0.0084738500000000 ] - [ 0.0062946200000000, -0.0000057100000000, 0.0030516900000000 ] - [ -0.0047948000000000, 0.0000000000000000, 0.0004237600000000 ] - [ 0.0009223400000000, -0.0004523300000000, 0.0006818000000000 ] - [ 0.0000891900000000, 0.0000000000000000, 0.0004749700000000 ] - [ -0.0005902100000000, -0.0003180000000000, -0.0003883000000000 ] - [ 0.0002926900000000, 0.0000000000000000, -0.0007694900000000 ] - [ -0.0002508800000000, 0.0000000000000000, 0.0000723400000000 ] - [ -0.0000070000000000, -0.0000356900000000, 0.0001915300000000 ] - [ 0.0003779100000000, 0.0000000000000000, -0.0004706600000000 ] - [ -0.0000392900000000, 0.0000210500000000, -0.0000185300000000 ] - [ -0.0001452600000000, 0.0000000000000000, 0.0002846500000000 ] - [ -0.0000070000000000, 0.0000356900000000, 0.0001915300000000 ] - [ -0.0000757600000000, 0.0000000000000000, 0.0001933800000000 ] - [ -0.0000392900000000, -0.0000210500000000, -0.0000185300000000 ] - [ -0.0000323000000000, 0.0000000000000000, 0.0001076700000000 ] - [ 0.0000669300000000, -0.0000906800000000, 0.0000832700000000 ] - [ -0.0000319300000000, 0.0000000000000000, 0.0001031200000000 ] - [ 0.0000289200000000, 0.0001259700000000, 0.0001658700000000 ] - [ -0.0001675800000000, 0.0000000000000000, 0.0002066100000000 ] - [ -0.0000401900000000, 0.0000762000000000, 0.0000769400000000 ] - [ -0.0000577300000000, 0.0000000000000000, 0.0001324300000000 ] - [ 0.0000248500000000, -0.0001236800000000, 0.0001567800000000 ] - [ 0.0001422600000000, 0.0000000000000000, 0.0001864400000000 ] - [ -0.0008075100000000, 0.0001989400000000, -0.0004912400000000 ] - [ -0.0000987700000000, 0.0000000000000000, 0.0000515200000000 ] - [ 0.0000215800000000, -0.0000133500000000, 0.0000107400000000 ] - [ -0.0009401200000000, 0.0000000000000000, -0.0029099200000000 ] - [ 0.0011297800000000, 0.0005736500000000, 0.0008348900000000 ] - [ 0.0005182600000000, 0.0000000000000000, -0.0008030100000000 ] - [ 0.0000215800000000, 0.0000133500000000, 0.0000107400000000 ] - [ -0.0018090700000000, 0.0000000000000000, -0.0018078900000000 ] - [ -0.0136498800000000, 0.0099715100000000, -0.0014464800000000 ] - [ 0.0003166700000000, 0.0000000000000000, -0.0007085600000000 ] - [ -0.0018248500000000, 0.0002331700000000, 0.0005023200000000 ] - [ -0.0029584700000000, 0.0000000000000000, 0.0115364400000000 ] - [ -0.0136498800000000, -0.0099715100000000, -0.0014464800000000 ] - [ 0.1679074200000000, 0.0000000000000000, -0.0371685500000000 ] - [ 0.0021293800000000, -0.0013464800000000, -0.0031078800000000 ] - [ -0.0016583400000000, 0.0000000000000000, -0.0018559200000000 ] - [ -0.0039638000000000, 0.0000000000000000, -0.0001784100000000 ] - [ -0.0022478100000000, -0.0000466400000000, 0.0004119500000000 ] - [ -0.0022478100000000, 0.0000466400000000, 0.0004119500000000 ] - [ -0.0005902100000000, 0.0003180000000000, -0.0003883000000000 ] - [ -0.0003170400000000, 0.0000000000000000, 0.0003651500000000 ] - [ 0.0009223400000000, 0.0004523300000000, 0.0006818000000000 ] - [ -0.0013158500000000, 0.0000000000000000, 0.0011486700000000 ] - [ 0.0000645700000000, 0.0000000000000000, 0.0001289600000000 ] - [ -0.0000722200000000, -0.0000261900000000, 0.0001933400000000 ] - [ -0.0002553800000000, 0.0000000000000000, 0.0002737100000000 ] - [ -0.0000418300000000, -0.0000064100000000, 0.0002517000000000 ] - [ -0.0001761300000000, 0.0000000000000000, 0.0002978200000000 ] - [ -0.0000722200000000, 0.0000261900000000, 0.0001933400000000 ] - [ -0.0000840900000000, 0.0000000000000000, 0.0001363700000000 ] - [ -0.0000418300000000, 0.0000064100000000, 0.0002517000000000 ] - [ -0.0000786700000000, 0.0000000000000000, 0.0001308400000000 ] - [ -0.0000401900000000, -0.0000762000000000, 0.0000769400000000 ] - [ -0.0000280200000000, 0.0000000000000000, 0.0001937400000000 ] - [ 0.0000248500000000, 0.0001236800000000, 0.0001567800000000 ] - [ 0.0002451500000000, 0.0000000000000000, 0.0003682800000000 ] - [ 0.0000669300000000, 0.0000906800000000, 0.0000832700000000 ] - [ -0.0000467600000000, 0.0000000000000000, 0.0002292200000000 ] - [ 0.0000289200000000, -0.0001259700000000, 0.0001658700000000 ] - [ -0.0003222000000000, 0.0000000000000000, 0.0001137800000000 ] - [ 0.0011297800000000, -0.0005736500000000, 0.0008348900000000 ] - [ -0.0000760400000000, 0.0000000000000000, 0.0001822500000000 ] - [ 0.0000706000000000, 0.0000056100000000, 0.0004461900000000 ] - [ -0.0024731100000000, 0.0000000000000000, 0.0097148400000000 ] - [ -0.0008075100000000, -0.0001989400000000, -0.0004912400000000 ] - [ -0.0012772300000000, 0.0000000000000000, 0.0014738400000000 ] - [ 0.0000706000000000, -0.0000056100000000, 0.0004461900000000 ] - [ 0.0015352100000000, 0.0000000000000000, 0.0007611600000000 ] - [ -0.0090656900000000, 0.0064883900000000, -0.0020861800000000 ] - [ -0.0003228400000000, 0.0000000000000000, 0.0006082100000000 ] - [ 0.0021293800000000, 0.0013464800000000, -0.0031078800000000 ] - [ -0.0009340800000000, 0.0000000000000000, -0.0025473200000000 ] - [ -0.0090656900000000, -0.0064883900000000, -0.0020861800000000 ] - [ -0.0078447200000000, 0.0000000000000000, 0.0007175700000000 ] - [ -0.0018248500000000, -0.0002331700000000, 0.0005023200000000 ] - [ 0.0015809400000000, 0.0000000000000000, 0.0017382500000000 ] - [ 0.0057797100000000, 0.0000000000000000, -0.0015365700000000 ] - [ 0.0035513600000000, 0.0019160100000000, -0.0024065500000000 ] - [ 0.0035513600000000, -0.0019160100000000, -0.0024065500000000 ]- atom: 95 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000324800000000, 0.0028930300000000, -0.0000788300000000 ] - [ -0.0000759000000000, -0.0001394100000000, -0.0000171000000000 ] - [ -0.0000595900000000, -0.0000006800000000, -0.0000088000000000 ] - [ -0.0000989800000000, -0.0000120900000000, 0.0000431600000000 ] - [ -0.0000070800000000, 0.0000096500000000, -0.0000153500000000 ] - [ 0.0000355000000000, 0.0000008100000000, -0.0000035100000000 ] - [ 0.0000276600000000, 0.0012524700000000, 0.0000232400000000 ] - [ 0.0000014900000000, 0.0000297200000000, -0.0000301500000000 ] - [ -0.0000208900000000, 0.0024527000000000, -0.0000345900000000 ] - [ 0.0000893300000000, 0.0079954500000000, -0.0000563800000000 ] - [ 0.0000316500000000, -0.0001993700000000, -0.0000763100000000 ] - [ -0.0000750900000000, -0.0000069900000000, -0.0000169600000000 ] - [ -0.0000589300000000, -0.0000007900000000, -0.0000089100000000 ] - [ -0.0000988000000000, -0.0000127800000000, 0.0000427900000000 ] - [ -0.0000069000000000, 0.0000052600000000, -0.0000148400000000 ] - [ 0.0000353100000000, 0.0000009300000000, -0.0000035900000000 ] - [ 0.0000214700000000, -0.0000207100000000, 0.0000194000000000 ] - [ 0.0000023000000000, 0.0000471900000000, -0.0000294300000000 ] - [ -0.0000070100000000, -0.0036777800000000, -0.0000299300000000 ] - [ 0.0001242200000000, -0.0012436200000000, -0.0000183800000000 ] - [ 0.0000654200000000, -0.0002652500000000, -0.0000157700000000 ] - [ 0.0000765600000000, -0.0038974400000000, 0.0000023800000000 ] - [ 0.0001408000000000, -0.0001661300000000, 0.0002045000000000 ] - [ -0.0001551900000000, 0.0000026100000000, 0.0000624800000000 ] - [ -0.0001114900000000, 0.0001375600000000, -0.0002280400000000 ] - [ -0.0000332700000000, 0.0000905900000000, -0.0000085000000000 ] - [ -0.0000022600000000, -0.0000679000000000, 0.0000185900000000 ] - [ -0.0000431900000000, -0.0000015800000000, 0.0000284800000000 ] - [ -0.0000355500000000, -0.0000906000000000, -0.0000109800000000 ] - [ 0.0000525200000000, -0.0000115300000000, -0.0000600200000000 ] - [ -0.0001725100000000, 0.0000272700000000, 0.0000044600000000 ] - [ 0.0000181200000000, -0.0000415600000000, -0.0000151600000000 ] - [ 0.0000328200000000, 0.0000402900000000, -0.0000048400000000 ] - [ -0.0000651800000000, -0.0000002200000000, 0.0000295900000000 ] - [ -0.0010619000000000, 0.0000159200000000, -0.0008253200000000 ] - [ -0.0000401200000000, -0.0060343500000000, -0.0000033300000000 ] - [ 0.0013295400000000, 0.0000462700000000, 0.0007885600000000 ] - [ 0.0010191600000000, 0.0001584700000000, 0.0008084700000000 ] - [ 0.0105173300000000, 0.0274754800000000, -0.0200352700000000 ] - [ 0.0000398500000000, 0.0004239400000000, -0.0000154400000000 ] - [ 0.0000600100000000, 0.0001352900000000, -0.0000239000000000 ] - [ 0.0000808700000000, 0.0001572200000000, -0.0000022000000000 ] - [ 0.0000261200000000, -0.0001535700000000, -0.0000239100000000 ] - [ -0.0001544700000000, 0.0000007800000000, 0.0000619400000000 ] - [ 0.0000062000000000, 0.0001505500000000, -0.0000028800000000 ] - [ -0.0000330500000000, 0.0000905000000000, -0.0000079100000000 ] - [ -0.0000024800000000, -0.0000125100000000, 0.0000198000000000 ] - [ -0.0000423700000000, -0.0000024800000000, 0.0000287900000000 ] - [ -0.0000350800000000, -0.0000903700000000, -0.0000108800000000 ] - [ 0.0000557500000000, -0.0001886900000000, -0.0000615200000000 ] - [ -0.0001728900000000, 0.0000400300000000, 0.0000038600000000 ] - [ 0.0000123100000000, -0.0000422800000000, -0.0000184600000000 ] - [ 0.0000277500000000, 0.0000409700000000, -0.0000070900000000 ] - [ -0.0000647600000000, 0.0000005500000000, 0.0000297900000000 ] - [ 0.0000996800000000, 0.0000388000000000, 0.0000277600000000 ] - [ 0.0001829900000000, 0.0062515800000000, -0.0000849600000000 ] - [ 0.0001709700000000, 0.0000847300000000, -0.0000611200000000 ] - [ -0.0097254000000000, 0.0262460500000000, 0.0186814400000000 ] - [ -0.0009721200000000, 0.0001359200000000, -0.0008967200000000 ] - [ 0.0000404800000000, -0.0064886800000000, -0.0000587700000000 ] - [ 0.0003321200000000, -0.0000195200000000, -0.0003708800000000 ] - [ -0.0001016800000000, 0.0000233200000000, 0.0001403400000000 ] - [ 0.0000020500000000, -0.0001052100000000, -0.0000282100000000 ] - [ -0.0000337900000000, 0.0006422600000000, -0.0000099200000000 ] - [ -0.0000738900000000, 0.0000045800000000, -0.0000384100000000 ] - [ -0.0000628500000000, -0.0000082900000000, 0.0000411100000000 ] - [ 0.0000753300000000, -0.0003995400000000, -0.0001209400000000 ] - [ -0.0000795300000000, -0.0000007800000000, -0.0000504100000000 ] - [ -0.0001507200000000, -0.0000000400000000, 0.0000808700000000 ] - [ -0.0000638400000000, 0.0000092500000000, 0.0000459500000000 ] - [ -0.0000440200000000, 0.0000020800000000, 0.0000093900000000 ] - [ -0.0000315600000000, 0.0000033600000000, 0.0000233000000000 ] - [ -0.0000301800000000, -0.0000002100000000, -0.0000312600000000 ] - [ -0.0000091300000000, -0.0000580200000000, -0.0000692000000000 ] - [ -0.0000218100000000, -0.0000038300000000, -0.0000478500000000 ] - [ 0.0000085600000000, 0.0001121900000000, 0.0000164100000000 ] - [ 0.0000654500000000, 0.0000054700000000, 0.0000155900000000 ] - [ -0.0000108100000000, 0.0000579800000000, -0.0000681500000000 ] - [ -0.0000143800000000, 0.0000044500000000, 0.0000262900000000 ] - [ 0.0000090200000000, -0.0001119500000000, 0.0000173700000000 ] - [ -0.0000875400000000, 0.0000045200000000, 0.0000179200000000 ] - [ -0.0000704400000000, 0.0000285100000000, -0.0000646700000000 ] - [ -0.0000798100000000, -0.0000059000000000, -0.0000807200000000 ] - [ 0.0000192600000000, -0.0000026100000000, 0.0000718500000000 ] - [ 0.0001330500000000, 0.0009869200000000, -0.0000299500000000 ] - [ -0.0002528000000000, -0.0000650500000000, 0.0000672300000000 ] - [ 0.0000140000000000, 0.0006117800000000, 0.0000418700000000 ] - [ 0.0000561900000000, -0.0000129100000000, 0.0001338300000000 ] - [ 0.0000387700000000, -0.0008549900000000, 0.0000078500000000 ] - [ -0.0099943600000000, 0.0037388500000000, -0.0012047800000000 ] - [ 0.0000242900000000, -0.0006628800000000, 0.0000178200000000 ] - [ 0.0000733500000000, 0.0000431500000000, 0.0001895300000000 ] - [ -0.0000180800000000, -0.0048944900000000, 0.0001350300000000 ] - [ 0.0101107200000000, 0.0036695300000000, 0.0012201100000000 ] - [ -0.0007887400000000, -0.0950253100000000, 0.0013704200000000 ] - [ 0.0018767300000000, 0.0017157300000000, 0.0048509300000000 ] - [ -0.0000106800000000, -0.0006754600000000, 0.0001127200000000 ] - [ 0.0000169900000000, -0.0011072500000000, -0.0000123300000000 ] - [ -0.0001736900000000, -0.0000921600000000, 0.0004093100000000 ] - [ 0.0002669000000000, -0.0001470600000000, -0.0003484400000000 ] - [ -0.0000522500000000, 0.0001581800000000, 0.0000242600000000 ] - [ -0.0001020200000000, -0.0000081800000000, 0.0001414000000000 ] - [ -0.0003779500000000, -0.0002795700000000, 0.0003670200000000 ] - [ -0.0000338800000000, 0.0000091900000000, -0.0000062300000000 ] - [ -0.0000734000000000, -0.0000230900000000, -0.0000387800000000 ] - [ -0.0000615000000000, -0.0000079800000000, 0.0000411200000000 ] - [ 0.0000759200000000, 0.0000310800000000, -0.0001188800000000 ] - [ -0.0000285500000000, 0.0000002200000000, -0.0000426000000000 ] - [ -0.0001503600000000, 0.0000002700000000, 0.0000811500000000 ] - [ -0.0000654200000000, 0.0000079800000000, 0.0000453900000000 ] - [ -0.0000439800000000, 0.0000041100000000, 0.0000095300000000 ] - [ -0.0000817600000000, 0.0000041000000000, 0.0000163500000000 ] - [ -0.0000305200000000, -0.0000003700000000, -0.0000310100000000 ] - [ -0.0000102200000000, -0.0000578700000000, -0.0000702300000000 ] - [ -0.0000216300000000, -0.0000019800000000, -0.0000478500000000 ] - [ 0.0000089500000000, 0.0001115100000000, 0.0000167900000000 ] - [ 0.0000647100000000, -0.0000044900000000, 0.0000156000000000 ] - [ -0.0000125100000000, 0.0000572900000000, -0.0000682900000000 ] - [ -0.0000143400000000, 0.0000013800000000, 0.0000264400000000 ] - [ 0.0000087100000000, -0.0001125300000000, 0.0000169100000000 ] - [ -0.0000867200000000, -0.0000067500000000, 0.0000179700000000 ] - [ 0.0001944300000000, -0.0000282100000000, -0.0001396900000000 ] - [ -0.0000796600000000, -0.0000021200000000, -0.0000811600000000 ] - [ 0.0000436300000000, 0.0000045800000000, 0.0000904700000000 ] - [ 0.0001432700000000, -0.0015164200000000, -0.0000517400000000 ] - [ 0.0000164200000000, -0.0000056400000000, -0.0000059600000000 ] - [ 0.0000165200000000, 0.0000224900000000, 0.0000379400000000 ] - [ 0.0000311600000000, -0.0000035100000000, 0.0001141500000000 ] - [ 0.0000320000000000, 0.0004047700000000, 0.0000147800000000 ] - [ -0.0040690800000000, 0.0021035400000000, -0.0006231000000000 ] - [ 0.0000241300000000, 0.0000207400000000, 0.0000159900000000 ] - [ -0.0016406700000000, 0.0018634400000000, -0.0048647700000000 ] - [ -0.0000169700000000, 0.0009330900000000, 0.0001266800000000 ] - [ 0.0040914400000000, 0.0020756000000000, 0.0006273700000000 ] - [ 0.0001636700000000, 0.0014443100000000, -0.0000386900000000 ] - [ 0.0001535000000000, -0.0000795800000000, -0.0002322200000000 ] - [ -0.0000136800000000, 0.0021131500000000, 0.0001234700000000 ] - [ 0.0000011700000000, 0.0228562600000000, -0.0000029400000000 ] - [ -0.0027521100000000, 0.0034691700000000, -0.0063457000000000 ] - [ 0.0028069200000000, 0.0034221100000000, 0.0063487400000000 ]- atom: 95 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0033813700000000, 0.0000000000000000, -0.0021004800000000 ] - [ 0.0005004700000000, 0.0000000000000000, -0.0010453400000000 ] - [ -0.0000483600000000, 0.0000000000000000, -0.0008685100000000 ] - [ -0.0001856400000000, 0.0000000000000000, -0.0009697200000000 ] - [ -0.0000561300000000, 0.0000000000000000, -0.0009071300000000 ] - [ 0.0000062200000000, 0.0000000000000000, -0.0009846300000000 ] - [ 0.0002399000000000, 0.0000000000000000, -0.0032081100000000 ] - [ -0.0004775400000000, 0.0000000000000000, -0.0009148400000000 ] - [ 0.0018339000000000, 0.0000000000000000, 0.0034679900000000 ] - [ 0.0070949000000000, 0.0000000000000000, 0.0156020200000000 ] - [ 0.0011124100000000, 0.0000000000000000, 0.0002181200000000 ] - [ -0.0004894300000000, 0.0000000000000000, -0.0005713800000000 ] - [ -0.0000755100000000, 0.0000000000000000, -0.0008276300000000 ] - [ -0.0000502600000000, 0.0000000000000000, -0.0008648500000000 ] - [ 0.0000177100000000, 0.0000000000000000, -0.0008266900000000 ] - [ -0.0000055200000000, 0.0000000000000000, -0.0009566100000000 ] - [ -0.0000999700000000, 0.0000000000000000, 0.0001440000000000 ] - [ 0.0001770000000000, 0.0000000000000000, -0.0011773800000000 ] - [ -0.0021855500000000, 0.0000000000000000, 0.0046204300000000 ] - [ 0.0004744500000000, 0.0000000000000000, 0.0023605400000000 ] - [ -0.0015065400000000, 0.0000000000000000, 0.0001993300000000 ] - [ 0.0027507000000000, 0.0000000000000000, -0.0034106900000000 ] - [ -0.0002761500000000, -0.0003298000000000, -0.0019264900000000 ] - [ -0.0000850000000000, 0.0000000000000000, -0.0014954300000000 ] - [ -0.0002761500000000, 0.0003298000000000, -0.0019264900000000 ] - [ -0.0000355600000000, 0.0001414400000000, -0.0013133500000000 ] - [ -0.0000840500000000, 0.0000000000000000, -0.0016489500000000 ] - [ -0.0000289700000000, 0.0000000000000000, -0.0013925300000000 ] - [ -0.0001029600000000, -0.0001494000000000, -0.0013440500000000 ] - [ 0.0003041100000000, 0.0000000000000000, -0.0009803900000000 ] - [ -0.0004106800000000, 0.0000000000000000, -0.0013354300000000 ] - [ 0.0000912100000000, 0.0000464700000000, -0.0013945000000000 ] - [ -0.0001195500000000, -0.0000360500000000, -0.0012599700000000 ] - [ -0.0000268700000000, 0.0000000000000000, -0.0013635400000000 ] - [ -0.0029160400000000, 0.0001007500000000, -0.0009927900000000 ] - [ -0.0004220500000000, 0.0000000000000000, 0.0033815100000000 ] - [ -0.0029160400000000, -0.0001007500000000, -0.0009927900000000 ] - [ -0.0001368600000000, -0.0001212100000000, 0.0032044900000000 ] - [ -0.0065946900000000, -0.0187193600000000, 0.0269195900000000 ] - [ -0.0001313700000000, 0.0000000000000000, 0.0028221500000000 ] - [ 0.0008138500000000, 0.0000000000000000, -0.0041449600000000 ] - [ 0.0005632000000000, 0.0000000000000000, 0.0006479500000000 ] - [ 0.0003005900000000, -0.0003646200000000, -0.0009258800000000 ] - [ -0.0001509100000000, 0.0000000000000000, -0.0012129800000000 ] - [ 0.0003005900000000, 0.0003646200000000, -0.0009258800000000 ] - [ -0.0001029600000000, 0.0001494000000000, -0.0013440500000000 ] - [ 0.0002082400000000, 0.0000000000000000, -0.0010232000000000 ] - [ 0.0000308100000000, 0.0000000000000000, -0.0013367800000000 ] - [ -0.0000355600000000, -0.0001414400000000, -0.0013133500000000 ] - [ 0.0004653600000000, 0.0000000000000000, -0.0020119800000000 ] - [ 0.0000804900000000, 0.0000000000000000, -0.0014953400000000 ] - [ -0.0001195500000000, 0.0000360500000000, -0.0012599700000000 ] - [ 0.0000912100000000, -0.0000464700000000, -0.0013945000000000 ] - [ -0.0000156200000000, 0.0000000000000000, -0.0013515600000000 ] - [ 0.0018959400000000, 0.0017015300000000, -0.0008902000000000 ] - [ -0.0055876100000000, 0.0000000000000000, 0.0117159900000000 ] - [ 0.0018959400000000, -0.0017015300000000, -0.0008902000000000 ] - [ -0.0065946900000000, 0.0187193600000000, 0.0269195900000000 ] - [ -0.0001368600000000, 0.0001212100000000, 0.0032044900000000 ] - [ 0.0024106100000000, 0.0000000000000000, 0.0042346700000000 ] - [ -0.0002315200000000, -0.0000534300000000, 0.0015106600000000 ] - [ -0.0001600000000000, 0.0000000000000000, 0.0015899700000000 ] - [ 0.0001529700000000, -0.0000952500000000, 0.0000095800000000 ] - [ 0.0011915700000000, 0.0000000000000000, 0.0018959000000000 ] - [ -0.0001725600000000, 0.0000000000000000, 0.0005669500000000 ] - [ 0.0000708200000000, -0.0001124700000000, 0.0009045300000000 ] - [ 0.0006097500000000, 0.0000000000000000, 0.0012052200000000 ] - [ 0.0002684500000000, 0.0000592300000000, 0.0008722400000000 ] - [ -0.0001902300000000, 0.0000000000000000, 0.0012618900000000 ] - [ 0.0000708200000000, 0.0001124700000000, 0.0009045300000000 ] - [ -0.0002532900000000, 0.0000000000000000, 0.0008699000000000 ] - [ 0.0002684500000000, -0.0000592300000000, 0.0008722400000000 ] - [ -0.0001702600000000, 0.0000000000000000, 0.0008198600000000 ] - [ 0.0001141000000000, -0.0001590600000000, 0.0007754400000000 ] - [ -0.0000328100000000, 0.0000000000000000, 0.0010869700000000 ] - [ 0.0001172600000000, 0.0001971700000000, 0.0008231800000000 ] - [ -0.0000026600000000, 0.0000000000000000, 0.0010242400000000 ] - [ 0.0000797200000000, 0.0001453800000000, 0.0007035300000000 ] - [ -0.0001374900000000, 0.0000000000000000, 0.0008673000000000 ] - [ 0.0001119400000000, -0.0001972500000000, 0.0008248000000000 ] - [ -0.0002863300000000, 0.0000000000000000, 0.0009659100000000 ] - [ 0.0002506600000000, 0.0000444700000000, 0.0002298700000000 ] - [ -0.0000932600000000, 0.0000000000000000, 0.0010711000000000 ] - [ 0.0002957800000000, 0.0001012400000000, 0.0009874100000000 ] - [ 0.0014646700000000, 0.0000000000000000, -0.0019948700000000 ] - [ -0.0002379400000000, 0.0003270900000000, 0.0011452100000000 ] - [ 0.0006357200000000, 0.0000000000000000, 0.0016073500000000 ] - [ 0.0002957800000000, -0.0001012400000000, 0.0009874100000000 ] - [ 0.0020594300000000, 0.0000000000000000, -0.0008876800000000 ] - [ 0.0002631400000000, -0.0008648200000000, -0.0058275500000000 ] - [ 0.0004953800000000, 0.0000000000000000, 0.0016704000000000 ] - [ -0.0005138800000000, 0.0002166900000000, -0.0011557200000000 ] - [ -0.0074068600000000, 0.0000000000000000, 0.0071264400000000 ] - [ 0.0002631400000000, 0.0008648200000000, -0.0058275500000000 ] - [ 0.0111376100000000, 0.0000000000000000, -0.0920176700000000 ] - [ 0.0035494100000000, 0.0050459400000000, 0.0064209300000000 ] - [ 0.0012843600000000, 0.0000000000000000, -0.0012133100000000 ] - [ 0.0000732800000000, 0.0000000000000000, -0.0025216500000000 ] - [ -0.0008309900000000, 0.0002361500000000, -0.0012621800000000 ] - [ -0.0008309900000000, -0.0002361500000000, -0.0012621800000000 ] - [ 0.0001529700000000, 0.0000952500000000, 0.0000095800000000 ] - [ -0.0002037000000000, 0.0000000000000000, 0.0011000600000000 ] - [ -0.0002315200000000, 0.0000534300000000, 0.0015106600000000 ] - [ -0.0014352800000000, 0.0000000000000000, 0.0009299100000000 ] - [ -0.0002407200000000, 0.0000000000000000, 0.0009670400000000 ] - [ 0.0000170600000000, -0.0000901400000000, 0.0008034500000000 ] - [ -0.0003424000000000, 0.0000000000000000, 0.0002802900000000 ] - [ -0.0001722900000000, 0.0000345000000000, 0.0007603300000000 ] - [ -0.0002119400000000, 0.0000000000000000, 0.0012135100000000 ] - [ 0.0000170600000000, 0.0000901400000000, 0.0008034500000000 ] - [ -0.0001487500000000, 0.0000000000000000, 0.0008477100000000 ] - [ -0.0001722900000000, -0.0000345000000000, 0.0007603300000000 ] - [ -0.0001911600000000, 0.0000000000000000, 0.0007912400000000 ] - [ 0.0000797200000000, -0.0001453800000000, 0.0007035300000000 ] - [ -0.0001042300000000, 0.0000000000000000, 0.0010986500000000 ] - [ 0.0001119400000000, 0.0001972500000000, 0.0008248000000000 ] - [ -0.0000154800000000, 0.0000000000000000, 0.0013677600000000 ] - [ 0.0001141000000000, 0.0001590600000000, 0.0007754400000000 ] - [ -0.0002086100000000, 0.0000000000000000, 0.0008797900000000 ] - [ 0.0001172600000000, -0.0001971700000000, 0.0008231800000000 ] - [ -0.0001516400000000, 0.0000000000000000, 0.0006863300000000 ] - [ -0.0002379400000000, -0.0003270900000000, 0.0011452100000000 ] - [ -0.0001588900000000, 0.0000000000000000, 0.0010658800000000 ] - [ 0.0000109800000000, 0.0000304900000000, 0.0008670400000000 ] - [ -0.0049783600000000, 0.0000000000000000, 0.0052037200000000 ] - [ 0.0002506600000000, -0.0000444700000000, 0.0002298700000000 ] - [ -0.0010164700000000, 0.0000000000000000, 0.0010771300000000 ] - [ 0.0000109800000000, -0.0000304900000000, 0.0008670400000000 ] - [ -0.0009269900000000, 0.0000000000000000, -0.0010393200000000 ] - [ -0.0003105400000000, 0.0003571200000000, -0.0035462300000000 ] - [ -0.0002779600000000, 0.0000000000000000, 0.0003967300000000 ] - [ 0.0035494100000000, -0.0050459400000000, 0.0064209300000000 ] - [ 0.0013871700000000, 0.0000000000000000, -0.0018150400000000 ] - [ -0.0003105400000000, -0.0003571200000000, -0.0035462300000000 ] - [ 0.0005595000000000, 0.0000000000000000, -0.0018396300000000 ] - [ -0.0005138800000000, -0.0002166900000000, -0.0011557200000000 ] - [ -0.0018071400000000, 0.0000000000000000, -0.0010458200000000 ] - [ 0.0006149600000000, 0.0000000000000000, -0.0083430500000000 ] - [ 0.0030053200000000, -0.0050938300000000, 0.0051742300000000 ] - [ 0.0030053200000000, 0.0050938300000000, 0.0051742300000000 ]- atom: 95 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0034675100000000, 0.0000000000000000, 0.0019654600000000 ] - [ -0.0006532100000000, 0.0000000000000000, 0.0010107400000000 ] - [ -0.0000691000000000, 0.0000000000000000, 0.0008508100000000 ] - [ -0.0000120600000000, 0.0000000000000000, 0.0010581000000000 ] - [ 0.0000419500000000, 0.0000000000000000, 0.0008765700000000 ] - [ 0.0000642600000000, 0.0000000000000000, 0.0009772900000000 ] - [ -0.0001889700000000, 0.0000000000000000, 0.0032269700000000 ] - [ 0.0004781300000000, 0.0000000000000000, 0.0008543500000000 ] - [ -0.0018813200000000, 0.0000000000000000, -0.0035652800000000 ] - [ -0.0058978300000000, 0.0000000000000000, -0.0150542800000000 ] - [ -0.0010503200000000, 0.0000000000000000, -0.0003773400000000 ] - [ 0.0003409600000000, 0.0000000000000000, 0.0005350800000000 ] - [ -0.0000415300000000, 0.0000000000000000, 0.0008096800000000 ] - [ -0.0001479200000000, 0.0000000000000000, 0.0009527400000000 ] - [ -0.0000317800000000, 0.0000000000000000, 0.0007971200000000 ] - [ 0.0000758300000000, 0.0000000000000000, 0.0009492600000000 ] - [ 0.0001423300000000, 0.0000000000000000, -0.0001010200000000 ] - [ -0.0001722300000000, 0.0000000000000000, 0.0011167900000000 ] - [ 0.0021460000000000, 0.0000000000000000, -0.0047330500000000 ] - [ -0.0002334900000000, 0.0000000000000000, -0.0023781800000000 ] - [ 0.0016335100000000, 0.0000000000000000, -0.0002395700000000 ] - [ -0.0026078900000000, 0.0000000000000000, 0.0034091000000000 ] - [ 0.0003120500000000, 0.0000303800000000, 0.0019031000000000 ] - [ -0.0002276500000000, 0.0000000000000000, 0.0016196800000000 ] - [ 0.0003120500000000, -0.0000303800000000, 0.0019031000000000 ] - [ -0.0000345300000000, 0.0000382300000000, 0.0012933400000000 ] - [ 0.0000838900000000, 0.0000000000000000, 0.0016891000000000 ] - [ -0.0000614400000000, 0.0000000000000000, 0.0014454300000000 ] - [ 0.0000330300000000, -0.0000304400000000, 0.0013241800000000 ] - [ -0.0002007800000000, 0.0000000000000000, 0.0008583700000000 ] - [ 0.0000729500000000, 0.0000000000000000, 0.0013448200000000 ] - [ -0.0000454100000000, -0.0001291100000000, 0.0013720700000000 ] - [ 0.0001637900000000, 0.0001187200000000, 0.0012375900000000 ] - [ -0.0000984000000000, 0.0000000000000000, 0.0014252900000000 ] - [ 0.0031719000000000, -0.0001271900000000, 0.0009586000000000 ] - [ 0.0003478300000000, 0.0000000000000000, -0.0033677500000000 ] - [ 0.0031719000000000, 0.0001271900000000, 0.0009586000000000 ] - [ 0.0001758500000000, 0.0001419600000000, -0.0033116100000000 ] - [ 0.0070591200000000, 0.0194077100000000, -0.0273351600000000 ] - [ 0.0002190700000000, 0.0000000000000000, -0.0028294400000000 ] - [ -0.0006970500000000, 0.0000000000000000, 0.0041222000000000 ] - [ -0.0004034500000000, 0.0000000000000000, -0.0006631800000000 ] - [ -0.0002665800000000, 0.0000655500000000, 0.0008979000000000 ] - [ -0.0001611200000000, 0.0000000000000000, 0.0013358600000000 ] - [ -0.0002665800000000, -0.0000655500000000, 0.0008979000000000 ] - [ 0.0000330300000000, 0.0000304400000000, 0.0013241800000000 ] - [ -0.0002075500000000, 0.0000000000000000, 0.0010683000000000 ] - [ -0.0001206300000000, 0.0000000000000000, 0.0013899100000000 ] - [ -0.0000345300000000, -0.0000382300000000, 0.0012933400000000 ] - [ -0.0003555900000000, 0.0000000000000000, 0.0018832700000000 ] - [ -0.0004203700000000, 0.0000000000000000, 0.0015050400000000 ] - [ 0.0001637900000000, -0.0001187200000000, 0.0012375900000000 ] - [ -0.0000454100000000, 0.0001291100000000, 0.0013720700000000 ] - [ -0.0001090000000000, 0.0000000000000000, 0.0014136100000000 ] - [ -0.0016184000000000, -0.0017281400000000, 0.0008601200000000 ] - [ 0.0058113500000000, 0.0000000000000000, -0.0118883200000000 ] - [ -0.0016184000000000, 0.0017281400000000, 0.0008601200000000 ] - [ 0.0070591200000000, -0.0194077100000000, -0.0273351600000000 ] - [ 0.0001758500000000, -0.0001419600000000, -0.0033116100000000 ] - [ -0.0023036200000000, 0.0000000000000000, -0.0042206400000000 ] - [ 0.0001817900000000, 0.0003248300000000, -0.0015224300000000 ] - [ -0.0000406200000000, 0.0000000000000000, -0.0013039100000000 ] - [ -0.0002045100000000, -0.0001753600000000, -0.0000146000000000 ] - [ -0.0012553500000000, 0.0000000000000000, -0.0019232300000000 ] - [ 0.0000224400000000, 0.0000000000000000, -0.0006430500000000 ] - [ -0.0001959600000000, 0.0000897100000000, -0.0008155900000000 ] - [ -0.0004651700000000, 0.0000000000000000, -0.0014448900000000 ] - [ -0.0003839700000000, -0.0000611300000000, -0.0008976100000000 ] - [ -0.0001138100000000, 0.0000000000000000, -0.0011046200000000 ] - [ -0.0001959600000000, -0.0000897100000000, -0.0008155900000000 ] - [ 0.0001614300000000, 0.0000000000000000, -0.0008492900000000 ] - [ -0.0003839700000000, 0.0000611300000000, -0.0008976100000000 ] - [ 0.0001119300000000, 0.0000000000000000, -0.0008812700000000 ] - [ -0.0001322800000000, 0.0000324700000000, -0.0009100600000000 ] - [ -0.0000100700000000, 0.0000000000000000, -0.0011855000000000 ] - [ -0.0001003900000000, 0.0000216700000000, -0.0007895700000000 ] - [ 0.0001292800000000, 0.0000000000000000, -0.0009994100000000 ] - [ -0.0000978400000000, -0.0000186200000000, -0.0008386600000000 ] - [ 0.0001002000000000, 0.0000000000000000, -0.0008146000000000 ] - [ -0.0000949100000000, -0.0000216800000000, -0.0007911000000000 ] - [ 0.0001196900000000, 0.0000000000000000, -0.0009273200000000 ] - [ -0.0003020900000000, -0.0000200200000000, -0.0003005600000000 ] - [ -0.0000632100000000, 0.0000000000000000, -0.0012266800000000 ] - [ -0.0002219000000000, -0.0001029800000000, -0.0007812700000000 ] - [ -0.0011948900000000, 0.0000000000000000, 0.0019153500000000 ] - [ 0.0001814200000000, -0.0003513700000000, -0.0012127300000000 ] - [ -0.0006117800000000, 0.0000000000000000, -0.0015177800000000 ] - [ -0.0002219000000000, 0.0001029800000000, -0.0007812700000000 ] - [ -0.0019624300000000, 0.0000000000000000, 0.0008989400000000 ] - [ -0.0002589800000000, 0.0009183200000000, 0.0058260400000000 ] - [ -0.0004404800000000, 0.0000000000000000, -0.0016261000000000 ] - [ 0.0007346100000000, -0.0001047400000000, 0.0011034300000000 ] - [ 0.0074865400000000, 0.0000000000000000, -0.0069700000000000 ] - [ -0.0002589800000000, -0.0009183200000000, 0.0058260400000000 ] - [ -0.0129757100000000, 0.0000000000000000, 0.0921281000000000 ] - [ -0.0032885800000000, -0.0050964800000000, -0.0063869100000000 ] - [ -0.0013118100000000, 0.0000000000000000, 0.0014485800000000 ] - [ -0.0000318400000000, 0.0000000000000000, 0.0025027100000000 ] - [ 0.0009344700000000, -0.0001880500000000, 0.0013285700000000 ] - [ 0.0009344700000000, 0.0001880500000000, 0.0013285700000000 ] - [ -0.0002045100000000, 0.0001753600000000, -0.0000146000000000 ] - [ 0.0000032100000000, 0.0000000000000000, -0.0008118500000000 ] - [ 0.0001817900000000, -0.0003248300000000, -0.0015224300000000 ] - [ 0.0013855800000000, 0.0000000000000000, -0.0009519500000000 ] - [ 0.0000911300000000, 0.0000000000000000, -0.0010449000000000 ] - [ -0.0001418700000000, 0.0000674800000000, -0.0007141700000000 ] - [ 0.0004905400000000, 0.0000000000000000, -0.0005150800000000 ] - [ 0.0000586300000000, -0.0000361500000000, -0.0007851200000000 ] - [ -0.0000916200000000, 0.0000000000000000, -0.0010561000000000 ] - [ -0.0001418700000000, -0.0000674800000000, -0.0007141700000000 ] - [ 0.0000564900000000, 0.0000000000000000, -0.0008270400000000 ] - [ 0.0000586300000000, 0.0000361500000000, -0.0007851200000000 ] - [ 0.0001326900000000, 0.0000000000000000, -0.0008526600000000 ] - [ -0.0000978400000000, 0.0000186200000000, -0.0008386600000000 ] - [ 0.0000614600000000, 0.0000000000000000, -0.0011973200000000 ] - [ -0.0000949100000000, 0.0000216800000000, -0.0007911000000000 ] - [ 0.0001409800000000, 0.0000000000000000, -0.0013412800000000 ] - [ -0.0001322800000000, -0.0000324700000000, -0.0009100600000000 ] - [ 0.0001712800000000, 0.0000000000000000, -0.0008269200000000 ] - [ -0.0001003900000000, -0.0000216700000000, -0.0007895700000000 ] - [ -0.0000133200000000, 0.0000000000000000, -0.0006490200000000 ] - [ 0.0001814200000000, 0.0003513700000000, -0.0012127300000000 ] - [ 0.0000022000000000, 0.0000000000000000, -0.0012217200000000 ] - [ 0.0000613600000000, -0.0000328400000000, -0.0006623000000000 ] - [ 0.0051958500000000, 0.0000000000000000, -0.0052407600000000 ] - [ -0.0003020900000000, 0.0000200200000000, -0.0003005600000000 ] - [ 0.0010342500000000, 0.0000000000000000, -0.0009962100000000 ] - [ 0.0000613600000000, 0.0000328400000000, -0.0006623000000000 ] - [ 0.0010063500000000, 0.0000000000000000, 0.0010513200000000 ] - [ 0.0003800000000000, -0.0003466600000000, 0.0035539100000000 ] - [ 0.0003305500000000, 0.0000000000000000, -0.0003621100000000 ] - [ -0.0032885800000000, 0.0050964800000000, -0.0063869100000000 ] - [ -0.0014303900000000, 0.0000000000000000, 0.0020819600000000 ] - [ 0.0003800000000000, 0.0003466600000000, 0.0035539100000000 ] - [ -0.0002296000000000, 0.0000000000000000, 0.0017593600000000 ] - [ 0.0007346100000000, 0.0001047400000000, 0.0011034300000000 ] - [ 0.0017833000000000, 0.0000000000000000, 0.0013022100000000 ] - [ -0.0005798800000000, 0.0000000000000000, 0.0083223700000000 ] - [ -0.0029431400000000, 0.0052133000000000, -0.0051750000000000 ] - [ -0.0029431400000000, -0.0052133000000000, -0.0051750000000000 ]- atom: 97 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ 0.0396346500000000, 0.0000000000000000, -0.0107476900000000 ] - [ -0.0014048800000000, 0.0000000000000000, 0.0001394200000000 ] - [ -0.0001411400000000, 0.0000000000000000, 0.0001040900000000 ] - [ 0.0000755100000000, 0.0000000000000000, 0.0004347200000000 ] - [ -0.0000366400000000, 0.0000000000000000, 0.0000263900000000 ] - [ 0.0000566600000000, 0.0000000000000000, 0.0000418900000000 ] - [ -0.0002142900000000, 0.0000000000000000, -0.0001954200000000 ] - [ -0.0000667400000000, 0.0000000000000000, 0.0000750700000000 ] - [ -0.0045922300000000, 0.0000000000000000, 0.0028596600000000 ] - [ -0.0012911500000000, 0.0000000000000000, -0.0001084000000000 ] - [ -0.0041562700000000, 0.0000000000000000, -0.0030139600000000 ] - [ 0.0025736200000000, 0.0000000000000000, 0.0003663700000000 ] - [ 0.0000522900000000, 0.0000000000000000, -0.0000473800000000 ] - [ -0.0002686500000000, 0.0000000000000000, -0.0002127800000000 ] - [ 0.0000176400000000, 0.0000000000000000, 0.0000188600000000 ] - [ 0.0000173600000000, 0.0000000000000000, 0.0000390900000000 ] - [ 0.0000248600000000, 0.0000000000000000, 0.0003018300000000 ] - [ 0.0000801900000000, 0.0000000000000000, -0.0000723400000000 ] - [ 0.0007478500000000, 0.0000000000000000, -0.0019059600000000 ] - [ 0.0023911300000000, 0.0000000000000000, -0.0009862700000000 ] - [ 0.0057175900000000, 0.0000000000000000, 0.0022827600000000 ] - [ -0.0031373200000000, 0.0000000000000000, 0.0034912500000000 ] - [ -0.0007463200000000, -0.0015569400000000, 0.0020651100000000 ] - [ -0.0003680600000000, 0.0000000000000000, 0.0004865800000000 ] - [ -0.0007463200000000, 0.0015569400000000, 0.0020651100000000 ] - [ -0.0001485000000000, 0.0000819000000000, -0.0000258900000000 ] - [ -0.0000626000000000, 0.0000000000000000, 0.0001160000000000 ] - [ -0.0000643600000000, 0.0000000000000000, 0.0001157000000000 ] - [ 0.0000584100000000, -0.0000583000000000, 0.0001213400000000 ] - [ 0.0001805800000000, 0.0000000000000000, 0.0001506800000000 ] - [ 0.0009356200000000, 0.0000000000000000, -0.0002513500000000 ] - [ 0.0000487700000000, -0.0000341700000000, 0.0000188600000000 ] - [ 0.0000054500000000, 0.0000461800000000, 0.0000756200000000 ] - [ -0.0001106800000000, 0.0000000000000000, 0.0001254700000000 ] - [ -0.0004192800000000, 0.0001860300000000, 0.0003132900000000 ] - [ -0.0013928400000000, 0.0000000000000000, 0.0017799300000000 ] - [ -0.0004192800000000, -0.0001860300000000, 0.0003132900000000 ] - [ 0.0213545100000000, -0.0135613300000000, -0.0103242300000000 ] - [ -0.0051073300000000, 0.0001606800000000, -0.0018679700000000 ] - [ 0.0011212500000000, 0.0000000000000000, 0.0036972900000000 ] - [ -0.0040625400000000, 0.0000000000000000, -0.0001563500000000 ] - [ 0.0413286600000000, 0.0000000000000000, 0.0182154500000000 ] - [ -0.0005301700000000, -0.0002611000000000, -0.0020446900000000 ] - [ 0.0000659000000000, 0.0000000000000000, -0.0003732500000000 ] - [ -0.0005301700000000, 0.0002611000000000, -0.0020446900000000 ] - [ 0.0000584100000000, 0.0000583000000000, 0.0001213400000000 ] - [ 0.0000636100000000, 0.0000000000000000, 0.0000997900000000 ] - [ -0.0000297800000000, 0.0000000000000000, 0.0000571900000000 ] - [ -0.0001485000000000, -0.0000819000000000, -0.0000258900000000 ] - [ -0.0000960200000000, 0.0000000000000000, -0.0001374000000000 ] - [ -0.0012965300000000, 0.0000000000000000, 0.0000258200000000 ] - [ 0.0000054500000000, -0.0000461800000000, 0.0000756200000000 ] - [ 0.0000487700000000, 0.0000341700000000, 0.0000188600000000 ] - [ -0.0000176000000000, 0.0000000000000000, 0.0000586600000000 ] - [ 0.0009033300000000, 0.0000552800000000, -0.0003483900000000 ] - [ -0.0015455400000000, 0.0000000000000000, -0.0057451100000000 ] - [ 0.0009033300000000, -0.0000552800000000, -0.0003483900000000 ] - [ -0.0051073300000000, -0.0001606800000000, -0.0018679700000000 ] - [ 0.0213545100000000, 0.0135613300000000, -0.0103242300000000 ] - [ -0.0006396400000000, 0.0000000000000000, -0.0011865200000000 ] - [ 0.0016728500000000, -0.0000057400000000, -0.0005996600000000 ] - [ 0.0001714500000000, 0.0000000000000000, -0.0003622300000000 ] - [ -0.0029025700000000, -0.0025197500000000, 0.0031343300000000 ] - [ -0.0014603900000000, 0.0000000000000000, -0.0012500600000000 ] - [ -0.0003683200000000, 0.0000000000000000, 0.0008015100000000 ] - [ -0.0001018800000000, -0.0000058100000000, -0.0001614100000000 ] - [ 0.0021030900000000, 0.0000000000000000, -0.0073491300000000 ] - [ -0.0011197100000000, -0.0004009400000000, -0.0006022700000000 ] - [ -0.0001617200000000, 0.0000000000000000, -0.0000198800000000 ] - [ -0.0001018800000000, 0.0000058100000000, -0.0001614100000000 ] - [ 0.0001529400000000, 0.0000000000000000, -0.0000017400000000 ] - [ -0.0011197100000000, 0.0004009400000000, -0.0006022700000000 ] - [ -0.0000268500000000, 0.0000000000000000, -0.0001092500000000 ] - [ -0.0000106200000000, -0.0000602400000000, -0.0001043200000000 ] - [ -0.0001784400000000, 0.0000000000000000, -0.0001891900000000 ] - [ -0.0000404300000000, 0.0000983300000000, -0.0000178300000000 ] - [ 0.0000515500000000, 0.0000000000000000, -0.0000838500000000 ] - [ -0.0000154300000000, 0.0000603000000000, -0.0001020400000000 ] - [ 0.0000076700000000, 0.0000000000000000, -0.0000256900000000 ] - [ 0.0000435500000000, -0.0001079900000000, -0.0000235100000000 ] - [ -0.0000510900000000, 0.0000000000000000, 0.0000101100000000 ] - [ -0.0000722700000000, 0.0000089900000000, -0.0002276300000000 ] - [ -0.0000633000000000, 0.0000000000000000, -0.0001465200000000 ] - [ 0.0000599800000000, -0.0000056500000000, 0.0000488700000000 ] - [ 0.0003597000000000, 0.0000000000000000, -0.0005250700000000 ] - [ 0.0000410800000000, 0.0000150300000000, 0.0001408200000000 ] - [ 0.0002022600000000, 0.0000000000000000, -0.0000090600000000 ] - [ 0.0000599800000000, 0.0000056500000000, 0.0000488700000000 ] - [ 0.0010204400000000, 0.0000000000000000, -0.0010153500000000 ] - [ 0.0021658300000000, 0.0000872300000000, -0.0005774500000000 ] - [ 0.0002408200000000, 0.0000000000000000, -0.0000942200000000 ] - [ -0.0009074200000000, -0.0004193900000000, -0.0005518700000000 ] - [ 0.0036979100000000, 0.0000000000000000, -0.0000557100000000 ] - [ 0.0021658300000000, -0.0000872300000000, -0.0005774500000000 ] - [ 0.0018091600000000, 0.0000000000000000, 0.0010387700000000 ] - [ 0.0007267700000000, -0.0001984900000000, 0.0002934000000000 ] - [ -0.1447597900000000, 0.0000000000000000, 0.0162518900000000 ] - [ 0.0014391000000000, 0.0000000000000000, -0.0104795500000000 ] - [ 0.0105254600000000, 0.0090868900000000, -0.0001860700000000 ] - [ 0.0105254600000000, -0.0090868900000000, -0.0001860700000000 ] - [ -0.0029025700000000, 0.0025197500000000, 0.0031343300000000 ] - [ -0.0003153800000000, 0.0000000000000000, 0.0008718300000000 ] - [ 0.0016728500000000, 0.0000057400000000, -0.0005996600000000 ] - [ 0.0021153100000000, 0.0000000000000000, 0.0022195600000000 ] - [ 0.0008705800000000, 0.0000000000000000, -0.0011962000000000 ] - [ -0.0000233100000000, -0.0000281000000000, 0.0002124800000000 ] - [ 0.0010881800000000, 0.0000000000000000, 0.0018268700000000 ] - [ 0.0006597200000000, 0.0000920100000000, 0.0004211000000000 ] - [ -0.0001355800000000, 0.0000000000000000, 0.0000884400000000 ] - [ -0.0000233100000000, 0.0000281000000000, 0.0002124800000000 ] - [ -0.0002488200000000, 0.0000000000000000, -0.0000300200000000 ] - [ 0.0006597200000000, -0.0000920100000000, 0.0004211000000000 ] - [ -0.0000099300000000, 0.0000000000000000, -0.0000315800000000 ] - [ -0.0000154300000000, -0.0000603000000000, -0.0001020400000000 ] - [ 0.0001613700000000, 0.0000000000000000, -0.0001079000000000 ] - [ 0.0000435500000000, 0.0001079900000000, -0.0000235100000000 ] - [ 0.0000795300000000, 0.0000000000000000, 0.0000276400000000 ] - [ -0.0000106200000000, 0.0000602400000000, -0.0001043200000000 ] - [ -0.0000332800000000, 0.0000000000000000, 0.0000038500000000 ] - [ -0.0000404300000000, -0.0000983300000000, -0.0000178300000000 ] - [ -0.0000883400000000, 0.0000000000000000, -0.0000533700000000 ] - [ 0.0000410800000000, -0.0000150300000000, 0.0001408200000000 ] - [ -0.0000888500000000, 0.0000000000000000, -0.0001228600000000 ] - [ -0.0000043000000000, -0.0000122300000000, 0.0000765500000000 ] - [ -0.0000380700000000, 0.0000000000000000, 0.0011119400000000 ] - [ -0.0000722700000000, -0.0000089900000000, -0.0002276300000000 ] - [ -0.0002147400000000, 0.0000000000000000, 0.0000352100000000 ] - [ -0.0000043000000000, 0.0000122300000000, 0.0000765500000000 ] - [ -0.0002183900000000, 0.0000000000000000, 0.0009331400000000 ] - [ -0.0023046500000000, 0.0023258200000000, 0.0035969300000000 ] - [ -0.0001872500000000, 0.0000000000000000, -0.0001227400000000 ] - [ 0.0007267700000000, 0.0001984900000000, 0.0002934000000000 ] - [ -0.0061095600000000, 0.0000000000000000, 0.0010245400000000 ] - [ -0.0023046500000000, -0.0023258200000000, 0.0035969300000000 ] - [ -0.0014331300000000, 0.0000000000000000, -0.0016272500000000 ] - [ -0.0009074200000000, 0.0004193900000000, -0.0005518700000000 ] - [ 0.0059074900000000, 0.0000000000000000, 0.0002581100000000 ] - [ 0.0011647600000000, 0.0000000000000000, 0.0018948200000000 ] - [ 0.0079176800000000, 0.0052074200000000, 0.0005667200000000 ] - [ 0.0079176800000000, -0.0052074200000000, 0.0005667200000000 ]- atom: 97 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ -0.0368191600000000, 0.0000000000000000, 0.0094720900000000 ] - [ 0.0012482500000000, 0.0000000000000000, -0.0001681500000000 ] - [ 0.0000224300000000, 0.0000000000000000, -0.0001207800000000 ] - [ -0.0002725400000000, 0.0000000000000000, -0.0003449000000000 ] - [ 0.0000222900000000, 0.0000000000000000, -0.0000561500000000 ] - [ 0.0000142900000000, 0.0000000000000000, -0.0000473600000000 ] - [ 0.0002619900000000, 0.0000000000000000, 0.0002341800000000 ] - [ 0.0000699400000000, 0.0000000000000000, -0.0001340200000000 ] - [ 0.0045380700000000, 0.0000000000000000, -0.0029578100000000 ] - [ 0.0015328800000000, 0.0000000000000000, 0.0000594900000000 ] - [ 0.0042168200000000, 0.0000000000000000, 0.0028725300000000 ] - [ -0.0027136100000000, 0.0000000000000000, -0.0004042000000000 ] - [ -0.0001695500000000, 0.0000000000000000, 0.0000298000000000 ] - [ 0.0000683000000000, 0.0000000000000000, 0.0003008700000000 ] - [ -0.0000313200000000, 0.0000000000000000, -0.0000478400000000 ] - [ 0.0000531600000000, 0.0000000000000000, -0.0000449700000000 ] - [ 0.0000168200000000, 0.0000000000000000, -0.0002607300000000 ] - [ -0.0000762900000000, 0.0000000000000000, 0.0000138500000000 ] - [ -0.0007602900000000, 0.0000000000000000, 0.0018033900000000 ] - [ -0.0021571200000000, 0.0000000000000000, 0.0009544300000000 ] - [ -0.0055703700000000, 0.0000000000000000, -0.0023474500000000 ] - [ 0.0032952600000000, 0.0000000000000000, -0.0034776300000000 ] - [ 0.0007827700000000, 0.0012524900000000, -0.0020804900000000 ] - [ 0.0000569000000000, 0.0000000000000000, -0.0003577600000000 ] - [ 0.0007827700000000, -0.0012524900000000, -0.0020804900000000 ] - [ 0.0000786300000000, 0.0000983300000000, 0.0000077100000000 ] - [ 0.0000610800000000, 0.0000000000000000, -0.0000733300000000 ] - [ -0.0000240700000000, 0.0000000000000000, -0.0000591700000000 ] - [ -0.0001272000000000, -0.0001221100000000, -0.0001392600000000 ] - [ -0.0000761400000000, 0.0000000000000000, -0.0002712500000000 ] - [ -0.0012728700000000, 0.0000000000000000, 0.0002603900000000 ] - [ -0.0000032100000000, -0.0000484300000000, -0.0000396200000000 ] - [ 0.0000397400000000, 0.0000363700000000, -0.0000971800000000 ] - [ -0.0000170300000000, 0.0000000000000000, -0.0000629300000000 ] - [ 0.0006899900000000, -0.0002135000000000, -0.0003491500000000 ] - [ 0.0013029500000000, 0.0000000000000000, -0.0018036100000000 ] - [ 0.0006899900000000, 0.0002135000000000, -0.0003491500000000 ] - [ -0.0212861400000000, 0.0138571000000000, 0.0104386300000000 ] - [ 0.0051453600000000, -0.0001834800000000, 0.0017583800000000 ] - [ -0.0010340600000000, 0.0000000000000000, -0.0037076000000000 ] - [ 0.0041730000000000, 0.0000000000000000, 0.0001309600000000 ] - [ -0.0429420800000000, 0.0000000000000000, -0.0197831200000000 ] - [ 0.0005516500000000, -0.0000401200000000, 0.0020176200000000 ] - [ -0.0003757900000000, 0.0000000000000000, 0.0004966200000000 ] - [ 0.0005516500000000, 0.0000401200000000, 0.0020176200000000 ] - [ -0.0001272000000000, 0.0001221100000000, -0.0001392600000000 ] - [ -0.0000652900000000, 0.0000000000000000, -0.0000553300000000 ] - [ -0.0000577800000000, 0.0000000000000000, -0.0000006200000000 ] - [ 0.0000786300000000, -0.0000983300000000, 0.0000077100000000 ] - [ 0.0002036100000000, 0.0000000000000000, 0.0000153400000000 ] - [ 0.0009514600000000, 0.0000000000000000, -0.0000132100000000 ] - [ 0.0000397400000000, -0.0000363700000000, -0.0000971800000000 ] - [ -0.0000032100000000, 0.0000484300000000, -0.0000396200000000 ] - [ -0.0001094800000000, 0.0000000000000000, 0.0000039400000000 ] - [ -0.0006312000000000, -0.0000839500000000, 0.0003179500000000 ] - [ 0.0014968000000000, 0.0000000000000000, 0.0056944300000000 ] - [ -0.0006312000000000, 0.0000839500000000, 0.0003179500000000 ] - [ 0.0051453600000000, 0.0001834800000000, 0.0017583800000000 ] - [ -0.0212861400000000, -0.0138571000000000, 0.0104386300000000 ] - [ 0.0007402600000000, 0.0000000000000000, 0.0011534300000000 ] - [ -0.0017189600000000, 0.0002704200000000, 0.0005860500000000 ] - [ -0.0003758100000000, 0.0000000000000000, 0.0006403200000000 ] - [ 0.0028704900000000, 0.0022565900000000, -0.0031310600000000 ] - [ 0.0013838000000000, 0.0000000000000000, 0.0012282300000000 ] - [ 0.0002204200000000, 0.0000000000000000, -0.0008744600000000 ] - [ -0.0000248900000000, -0.0000148900000000, 0.0002474400000000 ] - [ -0.0019556900000000, 0.0000000000000000, 0.0070776900000000 ] - [ 0.0010042700000000, 0.0003970800000000, 0.0005745700000000 ] - [ -0.0001413700000000, 0.0000000000000000, 0.0001758900000000 ] - [ -0.0000248900000000, 0.0000148900000000, 0.0002474400000000 ] - [ -0.0002436900000000, 0.0000000000000000, 0.0000201500000000 ] - [ 0.0010042700000000, -0.0003970800000000, 0.0005745700000000 ] - [ -0.0000322400000000, 0.0000000000000000, 0.0000454500000000 ] - [ -0.0000101800000000, -0.0000602300000000, -0.0000339500000000 ] - [ 0.0001340700000000, 0.0000000000000000, 0.0000886300000000 ] - [ 0.0000576900000000, 0.0001235600000000, 0.0000503200000000 ] - [ 0.0000762800000000, 0.0000000000000000, 0.0001099200000000 ] - [ -0.0000050500000000, 0.0000608000000000, -0.0000368500000000 ] - [ -0.0000413500000000, 0.0000000000000000, 0.0000762300000000 ] - [ -0.0000256600000000, -0.0001132100000000, 0.0000563900000000 ] - [ -0.0001183200000000, 0.0000000000000000, 0.0000252600000000 ] - [ 0.0000177900000000, 0.0000205400000000, 0.0001559700000000 ] - [ -0.0000950500000000, 0.0000000000000000, -0.0000151000000000 ] - [ 0.0000145100000000, 0.0000095200000000, 0.0001550100000000 ] - [ -0.0000951200000000, 0.0000000000000000, 0.0004661700000000 ] - [ -0.0000976000000000, -0.0000447200000000, -0.0002135000000000 ] - [ -0.0001780900000000, 0.0000000000000000, 0.0000892200000000 ] - [ 0.0000145100000000, -0.0000095200000000, 0.0001550100000000 ] - [ -0.0009357100000000, 0.0000000000000000, 0.0010346500000000 ] - [ -0.0021206900000000, -0.0000478900000000, 0.0005870500000000 ] - [ -0.0001897000000000, 0.0000000000000000, 0.0001277400000000 ] - [ 0.0011341500000000, 0.0005383200000000, 0.0005060900000000 ] - [ -0.0037236400000000, 0.0000000000000000, 0.0003083300000000 ] - [ -0.0021206900000000, 0.0000478900000000, 0.0005870500000000 ] - [ -0.0014920000000000, 0.0000000000000000, -0.0011022200000000 ] - [ -0.0005032700000000, 0.0000790200000000, -0.0003323200000000 ] - [ 0.1438927200000000, 0.0000000000000000, -0.0137384800000000 ] - [ -0.0013738300000000, 0.0000000000000000, 0.0105075400000000 ] - [ -0.0105649000000000, -0.0091805100000000, 0.0002704600000000 ] - [ -0.0105649000000000, 0.0091805100000000, 0.0002704600000000 ] - [ 0.0028704900000000, -0.0022565900000000, -0.0031310600000000 ] - [ 0.0001133900000000, 0.0000000000000000, -0.0005848900000000 ] - [ -0.0017189600000000, -0.0002704200000000, 0.0005860500000000 ] - [ -0.0021516300000000, 0.0000000000000000, -0.0022279100000000 ] - [ -0.0010178200000000, 0.0000000000000000, 0.0011144100000000 ] - [ -0.0001020900000000, 0.0000076200000000, -0.0001249600000000 ] - [ -0.0009297400000000, 0.0000000000000000, -0.0020743900000000 ] - [ -0.0007674700000000, -0.0000940400000000, -0.0004479400000000 ] - [ -0.0001666300000000, 0.0000000000000000, 0.0000679800000000 ] - [ -0.0001020900000000, -0.0000076200000000, -0.0001249600000000 ] - [ 0.0001562900000000, 0.0000000000000000, 0.0000490400000000 ] - [ -0.0007674700000000, 0.0000940400000000, -0.0004479400000000 ] - [ -0.0000494000000000, 0.0000000000000000, -0.0000318200000000 ] - [ -0.0000050500000000, -0.0000608000000000, -0.0000368500000000 ] - [ -0.0002042300000000, 0.0000000000000000, 0.0000065200000000 ] - [ -0.0000256600000000, 0.0001132100000000, 0.0000563900000000 ] - [ 0.0000480100000000, 0.0000000000000000, -0.0000012100000000 ] - [ -0.0000101800000000, 0.0000602300000000, -0.0000339500000000 ] - [ -0.0000002600000000, 0.0000000000000000, 0.0000469000000000 ] - [ 0.0000576900000000, -0.0001235600000000, 0.0000503200000000 ] - [ -0.0000809200000000, 0.0000000000000000, 0.0000886800000000 ] - [ -0.0000976000000000, 0.0000447200000000, -0.0002135000000000 ] - [ -0.0000690100000000, 0.0000000000000000, -0.0000387800000000 ] - [ 0.0000789200000000, 0.0000154400000000, 0.0001271500000000 ] - [ 0.0002968000000000, 0.0000000000000000, -0.0011773300000000 ] - [ 0.0000177900000000, -0.0000205400000000, 0.0001559700000000 ] - [ 0.0002393900000000, 0.0000000000000000, 0.0000424300000000 ] - [ 0.0000789200000000, -0.0000154400000000, 0.0001271500000000 ] - [ 0.0002954300000000, 0.0000000000000000, -0.0009199200000000 ] - [ 0.0022889600000000, -0.0022851700000000, -0.0036161600000000 ] - [ 0.0002391100000000, 0.0000000000000000, 0.0001536800000000 ] - [ -0.0005032700000000, -0.0000790200000000, -0.0003323200000000 ] - [ 0.0060524400000000, 0.0000000000000000, -0.0007458800000000 ] - [ 0.0022889600000000, 0.0022851700000000, -0.0036161600000000 ] - [ 0.0017739700000000, 0.0000000000000000, 0.0015424700000000 ] - [ 0.0011341500000000, -0.0005383200000000, 0.0005060900000000 ] - [ -0.0059205000000000, 0.0000000000000000, -0.0000278100000000 ] - [ -0.0011379600000000, 0.0000000000000000, -0.0018937100000000 ] - [ -0.0077684500000000, -0.0051047300000000, -0.0005020700000000 ] - [ -0.0077684500000000, 0.0051047300000000, -0.0005020700000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000798800000000, 0.0082355700000000, -0.0000283000000000 ] - [ -0.0000765000000000, -0.0000433100000000, -0.0000162700000000 ] - [ -0.0000599500000000, 0.0000064400000000, -0.0000092100000000 ] - [ -0.0000991200000000, 0.0000641500000000, 0.0000425900000000 ] - [ -0.0000074600000000, -0.0000003600000000, -0.0000158300000000 ] - [ 0.0000352400000000, 0.0000004900000000, -0.0000036000000000 ] - [ 0.0000218200000000, -0.0000075800000000, 0.0000188500000000 ] - [ 0.0000015900000000, -0.0000068200000000, -0.0000300000000000 ] - [ -0.0000292600000000, 0.0031093300000000, -0.0000420300000000 ] - [ 0.0001203700000000, 0.0001244500000000, -0.0000218100000000 ] - [ 0.0000321700000000, -0.0045012900000000, -0.0000790600000000 ] - [ -0.0000788500000000, 0.0013830300000000, -0.0000206000000000 ] - [ -0.0000594300000000, 0.0000090900000000, -0.0000092700000000 ] - [ -0.0000991200000000, 0.0000258100000000, 0.0000430200000000 ] - [ -0.0000067800000000, -0.0000003200000000, -0.0000154500000000 ] - [ 0.0000353500000000, 0.0000009700000000, -0.0000038800000000 ] - [ 0.0000220200000000, -0.0000800000000000, 0.0000196400000000 ] - [ 0.0000018600000000, -0.0000120600000000, -0.0000304600000000 ] - [ -0.0000362200000000, -0.0036236900000000, -0.0000468000000000 ] - [ 0.0001229700000000, -0.0022418400000000, -0.0000232700000000 ] - [ 0.0000702800000000, -0.0076206600000000, 0.0000311400000000 ] - [ 0.0000757800000000, -0.0016136600000000, 0.0000002700000000 ] - [ -0.0000665900000000, -0.0001184200000000, 0.0000751700000000 ] - [ -0.0001547900000000, -0.0000161500000000, 0.0000618700000000 ] - [ 0.0000987400000000, 0.0001729400000000, -0.0001001000000000 ] - [ -0.0000434200000000, 0.0000897900000000, -0.0000160800000000 ] - [ -0.0000025700000000, -0.0000010300000000, 0.0000194000000000 ] - [ -0.0000434900000000, 0.0000000700000000, 0.0000279100000000 ] - [ -0.0000287100000000, -0.0000912500000000, -0.0000044500000000 ] - [ 0.0000543200000000, 0.0000237200000000, -0.0000605800000000 ] - [ -0.0001728700000000, -0.0002240900000000, 0.0000038700000000 ] - [ 0.0000235800000000, -0.0000413100000000, -0.0000103100000000 ] - [ 0.0000225300000000, 0.0000413100000000, -0.0000127800000000 ] - [ -0.0000647800000000, -0.0000025600000000, 0.0000294100000000 ] - [ 0.0001364200000000, -0.0000158200000000, -0.0000343200000000 ] - [ -0.0000367600000000, -0.0004620800000000, -0.0000061600000000 ] - [ 0.0001332200000000, 0.0000117500000000, -0.0000007800000000 ] - [ -0.0103068500000000, 0.0226661000000000, 0.0145119400000000 ] - [ -0.0005204000000000, 0.0000647700000000, -0.0006560600000000 ] - [ 0.0000468700000000, -0.0000532400000000, -0.0000048600000000 ] - [ 0.0000647200000000, 0.0005430900000000, -0.0000138800000000 ] - [ 0.0001695300000000, 0.0098711500000000, 0.0000781000000000 ] - [ -0.0012206700000000, -0.0001489000000000, -0.0008665100000000 ] - [ -0.0001549300000000, -0.0000586400000000, 0.0000618000000000 ] - [ 0.0012495800000000, 0.0001524300000000, 0.0008397300000000 ] - [ -0.0000400300000000, 0.0000904700000000, -0.0000158100000000 ] - [ -0.0000019100000000, 0.0000009500000000, 0.0000195600000000 ] - [ -0.0000423200000000, -0.0000004800000000, 0.0000281400000000 ] - [ -0.0000246500000000, -0.0000916500000000, -0.0000040300000000 ] - [ 0.0000540000000000, 0.0000284900000000, -0.0000617200000000 ] - [ -0.0001717100000000, -0.0000032700000000, 0.0000036900000000 ] - [ 0.0000229200000000, -0.0000411700000000, -0.0000117700000000 ] - [ 0.0000217000000000, 0.0000411100000000, -0.0000133400000000 ] - [ -0.0000646100000000, -0.0000015300000000, 0.0000295900000000 ] - [ 0.0002230200000000, -0.0000218000000000, 0.0001754400000000 ] - [ -0.0000347900000000, 0.0048725300000000, -0.0000020600000000 ] - [ 0.0000517100000000, 0.0000067700000000, -0.0002137000000000 ] - [ 0.0005662500000000, 0.0000885600000000, 0.0005711100000000 ] - [ 0.0096352800000000, 0.0215119700000000, -0.0135087700000000 ] - [ 0.0000420200000000, -0.0002604700000000, -0.0000165300000000 ] - [ 0.0000298200000000, 0.0000516100000000, -0.0002584600000000 ] - [ -0.0001033600000000, 0.0000349700000000, 0.0001385000000000 ] - [ -0.0014594000000000, 0.0014303500000000, -0.0043033100000000 ] - [ -0.0000291700000000, 0.0004937000000000, -0.0000129800000000 ] - [ -0.0000733400000000, 0.0005401500000000, -0.0000365800000000 ] - [ -0.0000715500000000, -0.0000084200000000, 0.0000600200000000 ] - [ 0.0000676800000000, -0.0016611800000000, -0.0001036900000000 ] - [ -0.0002837200000000, -0.0000407900000000, 0.0001186100000000 ] - [ -0.0001511800000000, -0.0000022500000000, 0.0000803300000000 ] - [ -0.0000559400000000, 0.0000093200000000, 0.0000279900000000 ] - [ -0.0000448900000000, -0.0000055300000000, 0.0000095800000000 ] - [ 0.0001774900000000, -0.0000377400000000, -0.0001414000000000 ] - [ -0.0000302200000000, 0.0000014600000000, -0.0000309200000000 ] - [ -0.0000114700000000, -0.0000578100000000, -0.0000680000000000 ] - [ -0.0000219300000000, 0.0000001600000000, -0.0000475100000000 ] - [ 0.0000076100000000, 0.0001122500000000, 0.0000188400000000 ] - [ 0.0000641600000000, -0.0000013700000000, 0.0000160200000000 ] - [ -0.0000114200000000, 0.0000579100000000, -0.0000709500000000 ] - [ -0.0000149000000000, -0.0000003600000000, 0.0000255100000000 ] - [ 0.0000097100000000, -0.0001118500000000, 0.0000154400000000 ] - [ -0.0000870000000000, 0.0000041100000000, 0.0000184500000000 ] - [ -0.0000441400000000, 0.0000177200000000, -0.0000184200000000 ] - [ -0.0000795800000000, 0.0000000800000000, -0.0000816000000000 ] - [ 0.0000368900000000, 0.0000049500000000, 0.0001046700000000 ] - [ 0.0001314000000000, 0.0000217300000000, -0.0000285200000000 ] - [ -0.0000538000000000, -0.0000211600000000, -0.0000748000000000 ] - [ 0.0000144700000000, 0.0000043700000000, 0.0000400100000000 ] - [ 0.0000393000000000, -0.0000052500000000, 0.0001010100000000 ] - [ 0.0000397000000000, 0.0000204600000000, 0.0000077700000000 ] - [ 0.0002881300000000, -0.0000263900000000, -0.0004653200000000 ] - [ 0.0000249800000000, -0.0000079400000000, 0.0000142300000000 ] - [ -0.0001474600000000, 0.0000218300000000, 0.0001974200000000 ] - [ -0.0000156100000000, -0.0011619000000000, 0.0001253800000000 ] - [ -0.0002451200000000, -0.0000696500000000, 0.0004645400000000 ] - [ 0.0001636200000000, -0.0006753000000000, -0.0000401700000000 ] - [ 0.0000943300000000, -0.0000501600000000, 0.0000054100000000 ] - [ 0.0007723500000000, -0.0857093500000000, -0.0011395900000000 ] - [ 0.0000209400000000, -0.0055826700000000, -0.0000277200000000 ] - [ 0.0093608400000000, 0.0022026500000000, 0.0013690400000000 ] - [ -0.0093556100000000, 0.0021191000000000, -0.0013272200000000 ] - [ 0.0013945900000000, 0.0017220100000000, 0.0042852800000000 ] - [ -0.0001035100000000, -0.0006192000000000, 0.0001379900000000 ] - [ -0.0000813500000000, -0.0002075800000000, 0.0002539400000000 ] - [ -0.0000311100000000, -0.0008045000000000, -0.0000055900000000 ] - [ -0.0000757500000000, 0.0000163100000000, -0.0000351000000000 ] - [ -0.0000475700000000, -0.0000144900000000, 0.0000722000000000 ] - [ 0.0000777900000000, 0.0009042800000000, -0.0001190800000000 ] - [ -0.0000190600000000, 0.0000063400000000, -0.0000013000000000 ] - [ -0.0001508300000000, -0.0000054300000000, 0.0000802400000000 ] - [ -0.0000799900000000, 0.0000020700000000, 0.0000149100000000 ] - [ -0.0000448600000000, -0.0000008000000000, 0.0000097400000000 ] - [ -0.0000883500000000, 0.0000108900000000, -0.0000236900000000 ] - [ -0.0000306600000000, 0.0000038700000000, -0.0000306700000000 ] - [ -0.0000111600000000, -0.0000583700000000, -0.0000685100000000 ] - [ -0.0000219400000000, 0.0000038400000000, -0.0000476900000000 ] - [ 0.0000087300000000, 0.0001117000000000, 0.0000195800000000 ] - [ 0.0000642400000000, -0.0000042700000000, 0.0000165900000000 ] - [ -0.0000117700000000, 0.0000572800000000, -0.0000705500000000 ] - [ -0.0000150000000000, -0.0000001700000000, 0.0000257800000000 ] - [ 0.0000100100000000, -0.0001126800000000, 0.0000151300000000 ] - [ -0.0000870800000000, 0.0000011100000000, 0.0000184100000000 ] - [ -0.0000028500000000, 0.0000134400000000, 0.0000036300000000 ] - [ -0.0000791800000000, -0.0000001900000000, -0.0000817400000000 ] - [ 0.0000369700000000, 0.0000044700000000, 0.0001059400000000 ] - [ 0.0001311800000000, -0.0004389700000000, -0.0000256700000000 ] - [ -0.0000137500000000, -0.0000169200000000, -0.0000540700000000 ] - [ 0.0000135500000000, -0.0000089400000000, 0.0000399200000000 ] - [ 0.0000394900000000, -0.0000043700000000, 0.0001003600000000 ] - [ 0.0000375000000000, 0.0005877000000000, 0.0000112500000000 ] - [ 0.0035584800000000, 0.0020797200000000, 0.0059281300000000 ] - [ 0.0000248100000000, 0.0000025000000000, 0.0000145800000000 ] - [ 0.0001341500000000, 0.0000780700000000, -0.0000453000000000 ] - [ -0.0000001200000000, 0.0232416400000000, 0.0001153800000000 ] - [ -0.0034783100000000, 0.0020445100000000, -0.0058751300000000 ] - [ 0.0001668000000000, 0.0021132300000000, -0.0000510100000000 ] - [ 0.0003714400000000, -0.0001023900000000, -0.0002405000000000 ] - [ -0.0000086300000000, 0.0013356300000000, 0.0001125200000000 ] - [ 0.0000171300000000, 0.0008237500000000, -0.0000117600000000 ] - [ 0.0039673400000000, 0.0017682900000000, 0.0001628900000000 ] - [ -0.0038504500000000, 0.0017229400000000, -0.0001004500000000 ]- atom: 97 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0043895200000000, 0.0000000000000000, 0.0131673700000000 ] - [ -0.0006715100000000, 0.0000000000000000, 0.0001130400000000 ] - [ -0.0000514100000000, 0.0000000000000000, -0.0008629200000000 ] - [ 0.0001276800000000, 0.0000000000000000, -0.0010985100000000 ] - [ -0.0000314700000000, 0.0000000000000000, -0.0008895600000000 ] - [ 0.0000082200000000, 0.0000000000000000, -0.0010506300000000 ] - [ -0.0004981300000000, 0.0000000000000000, -0.0006624400000000 ] - [ 0.0000428300000000, 0.0000000000000000, -0.0010011100000000 ] - [ 0.0016426500000000, 0.0000000000000000, 0.0045250600000000 ] - [ 0.0001564700000000, 0.0000000000000000, 0.0003118100000000 ] - [ -0.0011799300000000, 0.0000000000000000, 0.0014942100000000 ] - [ 0.0007777300000000, 0.0000000000000000, -0.0032735300000000 ] - [ -0.0000843900000000, 0.0000000000000000, -0.0009790500000000 ] - [ -0.0006560300000000, 0.0000000000000000, -0.0009791200000000 ] - [ 0.0000019700000000, 0.0000000000000000, -0.0009315600000000 ] - [ -0.0000128300000000, 0.0000000000000000, -0.0010233700000000 ] - [ 0.0005910700000000, 0.0000000000000000, -0.0009710200000000 ] - [ -0.0000824100000000, 0.0000000000000000, -0.0011296800000000 ] - [ -0.0020657100000000, 0.0000000000000000, 0.0048516800000000 ] - [ 0.0022847000000000, 0.0000000000000000, -0.0021831200000000 ] - [ 0.0032531300000000, 0.0000000000000000, 0.0051066000000000 ] - [ 0.0004570900000000, 0.0000000000000000, 0.0041866100000000 ] - [ 0.0017341600000000, 0.0012728100000000, -0.0005986900000000 ] - [ 0.0000180200000000, 0.0000000000000000, -0.0009715500000000 ] - [ 0.0017341600000000, -0.0012728100000000, -0.0005986900000000 ] - [ -0.0002098300000000, 0.0001720600000000, -0.0013658800000000 ] - [ -0.0000007800000000, 0.0000000000000000, -0.0013566200000000 ] - [ 0.0000023900000000, 0.0000000000000000, -0.0014451300000000 ] - [ 0.0000539600000000, -0.0001773700000000, -0.0014713700000000 ] - [ 0.0003203000000000, 0.0000000000000000, -0.0016533700000000 ] - [ 0.0005220400000000, 0.0000000000000000, -0.0021732300000000 ] - [ -0.0000412100000000, 0.0000265300000000, -0.0014379000000000 ] - [ 0.0000180200000000, -0.0000180400000000, -0.0014003900000000 ] - [ 0.0000077600000000, 0.0000000000000000, -0.0014196800000000 ] - [ 0.0003640400000000, -0.0003187800000000, -0.0010009400000000 ] - [ 0.0012273600000000, 0.0000000000000000, 0.0011087900000000 ] - [ 0.0003640400000000, 0.0003187800000000, -0.0010009400000000 ] - [ -0.0041731900000000, 0.0125548000000000, 0.0239474700000000 ] - [ -0.0008734500000000, -0.0001138900000000, 0.0033675700000000 ] - [ 0.0006830300000000, 0.0000000000000000, -0.0045513000000000 ] - [ -0.0008442900000000, 0.0000000000000000, 0.0029910100000000 ] - [ 0.0188761300000000, 0.0000000000000000, 0.0260711700000000 ] - [ -0.0034528100000000, 0.0001591500000000, -0.0016226100000000 ] - [ -0.0001843400000000, 0.0000000000000000, -0.0018041800000000 ] - [ -0.0034528100000000, -0.0001591500000000, -0.0016226100000000 ] - [ 0.0000539600000000, 0.0001773700000000, -0.0014713700000000 ] - [ 0.0000797600000000, 0.0000000000000000, -0.0016152900000000 ] - [ -0.0000046200000000, 0.0000000000000000, -0.0014703400000000 ] - [ -0.0002098300000000, -0.0001720600000000, -0.0013658800000000 ] - [ -0.0002001300000000, 0.0000000000000000, -0.0014874600000000 ] - [ -0.0001619800000000, 0.0000000000000000, -0.0009556100000000 ] - [ 0.0000180200000000, 0.0000180400000000, -0.0014003900000000 ] - [ -0.0000412100000000, -0.0000265300000000, -0.0014379000000000 ] - [ -0.0000341000000000, 0.0000000000000000, -0.0014906200000000 ] - [ -0.0000403400000000, 0.0000297300000000, -0.0020287000000000 ] - [ -0.0061173400000000, 0.0000000000000000, -0.0043674500000000 ] - [ -0.0000403400000000, -0.0000297300000000, -0.0020287000000000 ] - [ -0.0008734500000000, 0.0001138900000000, 0.0033675700000000 ] - [ -0.0041731900000000, -0.0125548000000000, 0.0239474700000000 ] - [ -0.0014494900000000, 0.0000000000000000, -0.0000555400000000 ] - [ -0.0003668300000000, -0.0001559700000000, -0.0014647300000000 ] - [ -0.0003651000000000, 0.0000000000000000, 0.0004164000000000 ] - [ 0.0024643400000000, -0.0059240300000000, 0.0064575300000000 ] - [ -0.0017227500000000, 0.0000000000000000, -0.0014629600000000 ] - [ 0.0005291600000000, 0.0000000000000000, 0.0017668500000000 ] - [ -0.0000942600000000, -0.0000428700000000, 0.0008256900000000 ] - [ -0.0047195500000000, 0.0000000000000000, 0.0040312100000000 ] - [ -0.0005232200000000, 0.0002514700000000, 0.0011596300000000 ] - [ -0.0002370100000000, 0.0000000000000000, 0.0012952300000000 ] - [ -0.0000942600000000, 0.0000428700000000, 0.0008256900000000 ] - [ -0.0000791200000000, 0.0000000000000000, 0.0007307100000000 ] - [ -0.0005232200000000, -0.0002514700000000, 0.0011596300000000 ] - [ -0.0002346700000000, 0.0000000000000000, 0.0008711400000000 ] - [ 0.0001065900000000, -0.0001537000000000, 0.0007931500000000 ] - [ -0.0001409000000000, 0.0000000000000000, 0.0013749400000000 ] - [ 0.0001293700000000, 0.0002138100000000, 0.0009163100000000 ] - [ -0.0000250400000000, 0.0000000000000000, 0.0012413800000000 ] - [ 0.0001027700000000, 0.0001544500000000, 0.0007966800000000 ] - [ -0.0001862700000000, 0.0000000000000000, 0.0009043300000000 ] - [ 0.0001127300000000, -0.0002017500000000, 0.0008421500000000 ] - [ -0.0001978300000000, 0.0000000000000000, 0.0009166900000000 ] - [ -0.0001250500000000, -0.0000017000000000, 0.0007684200000000 ] - [ -0.0001420300000000, 0.0000000000000000, 0.0011269600000000 ] - [ 0.0001258800000000, 0.0000871200000000, 0.0009153400000000 ] - [ -0.0002282300000000, 0.0000000000000000, 0.0001586600000000 ] - [ 0.0003186100000000, 0.0001019000000000, 0.0009292700000000 ] - [ -0.0000579500000000, 0.0000000000000000, 0.0006829300000000 ] - [ 0.0001258800000000, -0.0000871200000000, 0.0009153400000000 ] - [ -0.0013061800000000, 0.0000000000000000, 0.0011398500000000 ] - [ -0.0005576100000000, -0.0002443000000000, -0.0015312800000000 ] - [ -0.0000764800000000, 0.0000000000000000, 0.0010817300000000 ] - [ -0.0000533600000000, 0.0004764200000000, 0.0014086400000000 ] - [ 0.0005747900000000, 0.0000000000000000, -0.0025331400000000 ] - [ -0.0005576100000000, 0.0002443000000000, -0.0015312800000000 ] - [ 0.0023407700000000, 0.0000000000000000, -0.0015018800000000 ] - [ 0.0003421200000000, -0.0000265700000000, 0.0000898800000000 ] - [ -0.0044455100000000, 0.0000000000000000, -0.0928134900000000 ] - [ -0.0087254200000000, 0.0000000000000000, 0.0077223800000000 ] - [ 0.0008445500000000, 0.0024940800000000, -0.0078904900000000 ] - [ 0.0008445500000000, -0.0024940800000000, -0.0078904900000000 ] - [ 0.0024643400000000, 0.0059240300000000, 0.0064575300000000 ] - [ 0.0003941700000000, 0.0000000000000000, 0.0019805600000000 ] - [ -0.0003668300000000, 0.0001559700000000, -0.0014647300000000 ] - [ 0.0023152100000000, 0.0000000000000000, -0.0006380500000000 ] - [ -0.0009635600000000, 0.0000000000000000, 0.0008780700000000 ] - [ 0.0002185400000000, -0.0001154600000000, 0.0010296900000000 ] - [ 0.0016808700000000, 0.0000000000000000, -0.0010927400000000 ] - [ 0.0004388800000000, 0.0000480400000000, 0.0004216100000000 ] - [ -0.0001632600000000, 0.0000000000000000, 0.0013252200000000 ] - [ 0.0002185400000000, 0.0001154600000000, 0.0010296900000000 ] - [ -0.0002963400000000, 0.0000000000000000, 0.0010132400000000 ] - [ 0.0004388800000000, -0.0000480400000000, 0.0004216100000000 ] - [ -0.0001569200000000, 0.0000000000000000, 0.0008752100000000 ] - [ 0.0001027700000000, -0.0001544500000000, 0.0007966800000000 ] - [ -0.0000524900000000, 0.0000000000000000, 0.0010394700000000 ] - [ 0.0001127300000000, 0.0002017500000000, 0.0008421500000000 ] - [ 0.0000525200000000, 0.0000000000000000, 0.0012416400000000 ] - [ 0.0001065900000000, 0.0001537000000000, 0.0007931500000000 ] - [ -0.0001720100000000, 0.0000000000000000, 0.0009377400000000 ] - [ 0.0001293700000000, -0.0002138100000000, 0.0009163100000000 ] - [ -0.0003010100000000, 0.0000000000000000, 0.0009308700000000 ] - [ 0.0003186100000000, -0.0001019000000000, 0.0009292700000000 ] - [ -0.0001248000000000, 0.0000000000000000, 0.0011783100000000 ] - [ 0.0001713000000000, 0.0001062500000000, 0.0010190500000000 ] - [ 0.0006306200000000, 0.0000000000000000, 0.0018222100000000 ] - [ -0.0001250500000000, 0.0000017000000000, 0.0007684200000000 ] - [ -0.0002132600000000, 0.0000000000000000, 0.0011249900000000 ] - [ 0.0001713000000000, -0.0001062500000000, 0.0010190500000000 ] - [ 0.0008163100000000, 0.0000000000000000, 0.0016716800000000 ] - [ 0.0038002300000000, 0.0047962900000000, 0.0053722900000000 ] - [ -0.0000525500000000, 0.0000000000000000, 0.0015208500000000 ] - [ 0.0003421200000000, 0.0000265700000000, 0.0000898800000000 ] - [ 0.0000262600000000, 0.0000000000000000, -0.0087841300000000 ] - [ 0.0038002300000000, -0.0047962900000000, 0.0053722900000000 ] - [ -0.0016677000000000, 0.0000000000000000, -0.0012244500000000 ] - [ -0.0000533600000000, -0.0004764200000000, 0.0014086400000000 ] - [ 0.0009823400000000, 0.0000000000000000, -0.0018564400000000 ] - [ 0.0015627300000000, 0.0000000000000000, -0.0018026500000000 ] - [ 0.0005591800000000, 0.0004800200000000, -0.0039303300000000 ] - [ 0.0005591800000000, -0.0004800200000000, -0.0039303300000000 ]- atom: 97 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0043874600000000, 0.0000000000000000, -0.0132303400000000 ] - [ 0.0005171900000000, 0.0000000000000000, -0.0001504700000000 ] - [ -0.0000668800000000, 0.0000000000000000, 0.0008450600000000 ] - [ -0.0003273200000000, 0.0000000000000000, 0.0011863200000000 ] - [ 0.0000166400000000, 0.0000000000000000, 0.0008595900000000 ] - [ 0.0000620600000000, 0.0000000000000000, 0.0010445000000000 ] - [ 0.0005404800000000, 0.0000000000000000, 0.0007011100000000 ] - [ -0.0000394700000000, 0.0000000000000000, 0.0009415800000000 ] - [ -0.0016963700000000, 0.0000000000000000, -0.0045698900000000 ] - [ 0.0000882300000000, 0.0000000000000000, -0.0003488900000000 ] - [ 0.0012339600000000, 0.0000000000000000, -0.0016765200000000 ] - [ -0.0009380400000000, 0.0000000000000000, 0.0032578700000000 ] - [ -0.0000327000000000, 0.0000000000000000, 0.0009618200000000 ] - [ 0.0004609400000000, 0.0000000000000000, 0.0010656100000000 ] - [ -0.0000159400000000, 0.0000000000000000, 0.0009022600000000 ] - [ 0.0000830000000000, 0.0000000000000000, 0.0010160100000000 ] - [ -0.0005453000000000, 0.0000000000000000, 0.0010093500000000 ] - [ 0.0000851400000000, 0.0000000000000000, 0.0010692900000000 ] - [ 0.0020189500000000, 0.0000000000000000, -0.0048908700000000 ] - [ -0.0020280100000000, 0.0000000000000000, 0.0021380600000000 ] - [ -0.0031483400000000, 0.0000000000000000, -0.0051982000000000 ] - [ -0.0002938500000000, 0.0000000000000000, -0.0042252700000000 ] - [ -0.0017052500000000, -0.0015766200000000, 0.0005688400000000 ] - [ -0.0003324200000000, 0.0000000000000000, 0.0010940600000000 ] - [ -0.0017052500000000, 0.0015766200000000, 0.0005688400000000 ] - [ 0.0001404900000000, 0.0000076300000000, 0.0013460000000000 ] - [ 0.0000014500000000, 0.0000000000000000, 0.0014005600000000 ] - [ -0.0000935400000000, 0.0000000000000000, 0.0014981400000000 ] - [ -0.0001248200000000, -0.0000021700000000, 0.0014523400000000 ] - [ -0.0002161700000000, 0.0000000000000000, 0.0015280300000000 ] - [ -0.0008648900000000, 0.0000000000000000, 0.0021894800000000 ] - [ 0.0000860600000000, -0.0001090800000000, 0.0014158700000000 ] - [ 0.0000272400000000, 0.0001005400000000, 0.0013785000000000 ] - [ -0.0001324000000000, 0.0000000000000000, 0.0014824900000000 ] - [ -0.0000916700000000, 0.0002888800000000, 0.0009664300000000 ] - [ -0.0013101300000000, 0.0000000000000000, -0.0011092400000000 ] - [ -0.0000916700000000, -0.0002888800000000, 0.0009664300000000 ] - [ 0.0038566800000000, -0.0119153800000000, -0.0237028100000000 ] - [ 0.0009241500000000, 0.0000841600000000, -0.0034326600000000 ] - [ -0.0005872600000000, 0.0000000000000000, 0.0045193600000000 ] - [ 0.0009602000000000, 0.0000000000000000, -0.0030413100000000 ] - [ -0.0202105400000000, 0.0000000000000000, -0.0269231100000000 ] - [ 0.0035109800000000, -0.0004634400000000, 0.0015936800000000 ] - [ -0.0001281500000000, 0.0000000000000000, 0.0019307900000000 ] - [ 0.0035109800000000, 0.0004634400000000, 0.0015936800000000 ] - [ -0.0001248200000000, 0.0000021700000000, 0.0014523400000000 ] - [ -0.0000782600000000, 0.0000000000000000, 0.0016586900000000 ] - [ -0.0000860500000000, 0.0000000000000000, 0.0015232600000000 ] - [ 0.0001404900000000, -0.0000076300000000, 0.0013460000000000 ] - [ 0.0003021900000000, 0.0000000000000000, 0.0013626300000000 ] - [ -0.0001774600000000, 0.0000000000000000, 0.0009625700000000 ] - [ 0.0000272400000000, -0.0001005400000000, 0.0013785000000000 ] - [ 0.0000860600000000, 0.0001090800000000, 0.0014158700000000 ] - [ -0.0000899000000000, 0.0000000000000000, 0.0015536100000000 ] - [ 0.0003119900000000, -0.0000575100000000, 0.0019901500000000 ] - [ 0.0059988000000000, 0.0000000000000000, 0.0043259800000000 ] - [ 0.0003119900000000, 0.0000575100000000, 0.0019901500000000 ] - [ 0.0009241500000000, -0.0000841600000000, -0.0034326600000000 ] - [ 0.0038566800000000, 0.0119153800000000, -0.0237028100000000 ] - [ 0.0015373800000000, 0.0000000000000000, 0.0000387500000000 ] - [ 0.0003196000000000, 0.0004305900000000, 0.0014620800000000 ] - [ 0.0001687800000000, 0.0000000000000000, -0.0001233200000000 ] - [ -0.0025391500000000, 0.0057289800000000, -0.0065574700000000 ] - [ 0.0016760300000000, 0.0000000000000000, 0.0014522200000000 ] - [ -0.0006866300000000, 0.0000000000000000, -0.0018517900000000 ] - [ -0.0000300800000000, 0.0000236300000000, -0.0007370900000000 ] - [ 0.0049060800000000, 0.0000000000000000, -0.0042933000000000 ] - [ 0.0004127500000000, -0.0002510200000000, -0.0011864500000000 ] - [ -0.0000650300000000, 0.0000000000000000, -0.0011369400000000 ] - [ -0.0000300800000000, -0.0000236300000000, -0.0007370900000000 ] - [ -0.0000113700000000, 0.0000000000000000, -0.0007091000000000 ] - [ 0.0004127500000000, 0.0002510200000000, -0.0011864500000000 ] - [ 0.0001746100000000, 0.0000000000000000, -0.0009337500000000 ] - [ -0.0001249100000000, 0.0000306000000000, -0.0009287100000000 ] - [ 0.0000975100000000, 0.0000000000000000, -0.0014766400000000 ] - [ -0.0001128300000000, 0.0000083800000000, -0.0008836700000000 ] - [ 0.0001522300000000, 0.0000000000000000, -0.0012149100000000 ] - [ -0.0001212000000000, -0.0000311100000000, -0.0009324100000000 ] - [ 0.0001511900000000, 0.0000000000000000, -0.0008518100000000 ] - [ -0.0000960600000000, -0.0000201600000000, -0.0008089800000000 ] - [ 0.0000302200000000, 0.0000000000000000, -0.0008801600000000 ] - [ 0.0000710400000000, 0.0000278600000000, -0.0008377600000000 ] - [ -0.0000156200000000, 0.0000000000000000, -0.0012858600000000 ] - [ -0.0000535800000000, -0.0000862400000000, -0.0007114000000000 ] - [ 0.0004880800000000, 0.0000000000000000, -0.0002270100000000 ] - [ -0.0003710000000000, -0.0001275900000000, -0.0009978300000000 ] - [ 0.0000806000000000, 0.0000000000000000, -0.0006037500000000 ] - [ -0.0000535800000000, 0.0000862400000000, -0.0007114000000000 ] - [ 0.0013846900000000, 0.0000000000000000, -0.0011175200000000 ] - [ 0.0005952100000000, 0.0002759000000000, 0.0015229800000000 ] - [ 0.0001279900000000, 0.0000000000000000, -0.0010457000000000 ] - [ 0.0002735300000000, -0.0003611200000000, -0.0014509000000000 ] - [ -0.0006045900000000, 0.0000000000000000, 0.0027836100000000 ] - [ 0.0005952100000000, -0.0002759000000000, 0.0015229800000000 ] - [ -0.0020073900000000, 0.0000000000000000, 0.0014120900000000 ] - [ -0.0001210800000000, -0.0000864300000000, -0.0001369300000000 ] - [ 0.0067734000000000, 0.0000000000000000, 0.0931458100000000 ] - [ 0.0086351200000000, 0.0000000000000000, -0.0076477800000000 ] - [ -0.0007156000000000, -0.0024305800000000, 0.0079726300000000 ] - [ -0.0007156000000000, 0.0024305800000000, 0.0079726300000000 ] - [ -0.0025391500000000, -0.0057289800000000, -0.0065574700000000 ] - [ -0.0005951700000000, 0.0000000000000000, -0.0016958300000000 ] - [ 0.0003196000000000, -0.0004305900000000, 0.0014620800000000 ] - [ -0.0023626300000000, 0.0000000000000000, 0.0006470300000000 ] - [ 0.0008154800000000, 0.0000000000000000, -0.0009566100000000 ] - [ -0.0003445000000000, 0.0000969400000000, -0.0009421200000000 ] - [ -0.0015446800000000, 0.0000000000000000, 0.0008702200000000 ] - [ -0.0005541400000000, -0.0000474700000000, -0.0004428400000000 ] - [ -0.0001389800000000, 0.0000000000000000, -0.0011670000000000 ] - [ -0.0003445000000000, -0.0000969400000000, -0.0009421200000000 ] - [ 0.0002070800000000, 0.0000000000000000, -0.0009931700000000 ] - [ -0.0005541400000000, 0.0000474700000000, -0.0004428400000000 ] - [ 0.0000956100000000, 0.0000000000000000, -0.0009382400000000 ] - [ -0.0001212000000000, 0.0000311100000000, -0.0009324100000000 ] - [ 0.0000085200000000, 0.0000000000000000, -0.0011390200000000 ] - [ -0.0000960600000000, 0.0000201600000000, -0.0008089800000000 ] - [ 0.0000747400000000, 0.0000000000000000, -0.0012152800000000 ] - [ -0.0001249100000000, -0.0000306000000000, -0.0009287100000000 ] - [ 0.0001370600000000, 0.0000000000000000, -0.0008851400000000 ] - [ -0.0001128300000000, -0.0000083800000000, -0.0008836700000000 ] - [ 0.0001330500000000, 0.0000000000000000, -0.0008939700000000 ] - [ -0.0003710000000000, 0.0001275900000000, -0.0009978300000000 ] - [ -0.0000328800000000, 0.0000000000000000, -0.0013376300000000 ] - [ -0.0000985900000000, -0.0001056100000000, -0.0008146100000000 ] - [ -0.0003686400000000, 0.0000000000000000, -0.0018814900000000 ] - [ 0.0000710400000000, -0.0000278600000000, -0.0008377600000000 ] - [ 0.0002347700000000, 0.0000000000000000, -0.0010439500000000 ] - [ -0.0000985900000000, 0.0001056100000000, -0.0008146100000000 ] - [ -0.0007278200000000, 0.0000000000000000, -0.0016490700000000 ] - [ -0.0037219500000000, -0.0046953300000000, -0.0053153300000000 ] - [ 0.0001044100000000, 0.0000000000000000, -0.0014834600000000 ] - [ -0.0001210800000000, 0.0000864300000000, -0.0001369300000000 ] - [ -0.0000594600000000, 0.0000000000000000, 0.0090409300000000 ] - [ -0.0037219500000000, 0.0046953300000000, -0.0053153300000000 ] - [ 0.0019979900000000, 0.0000000000000000, 0.0011118600000000 ] - [ 0.0002735300000000, 0.0003611200000000, -0.0014509000000000 ] - [ -0.0010000500000000, 0.0000000000000000, 0.0020787700000000 ] - [ -0.0015175200000000, 0.0000000000000000, 0.0017699500000000 ] - [ -0.0004890400000000, -0.0004429800000000, 0.0039824500000000 ] - [ -0.0004890400000000, 0.0004429800000000, 0.0039824500000000 ]- atom: 98 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0025740000000000, 0.0000000000000000, 0.0008105300000000 ] - [ -0.0001458700000000, 0.0000000000000000, -0.0001552000000000 ] - [ -0.0000753700000000, 0.0000000000000000, 0.0000445900000000 ] - [ -0.0001423100000000, 0.0000000000000000, 0.0001494100000000 ] - [ -0.0000940700000000, 0.0000000000000000, 0.0000890800000000 ] - [ 0.0000181400000000, 0.0000000000000000, 0.0000535500000000 ] - [ -0.0012600000000000, 0.0000000000000000, 0.0000238300000000 ] - [ 0.0000526300000000, 0.0000000000000000, 0.0002302900000000 ] - [ 0.0158219500000000, 0.0000000000000000, 0.0035877900000000 ] - [ -0.0034543100000000, 0.0000000000000000, 0.0014967500000000 ] - [ -0.0000377100000000, 0.0000000000000000, -0.0007588900000000 ] - [ -0.0000343000000000, 0.0000000000000000, 0.0003644300000000 ] - [ -0.0000420600000000, 0.0000000000000000, 0.0000408400000000 ] - [ -0.0000309300000000, 0.0000000000000000, 0.0000559000000000 ] - [ 0.0000781800000000, 0.0000000000000000, -0.0000281100000000 ] - [ 0.0000547600000000, 0.0000000000000000, 0.0000558700000000 ] - [ 0.0017373200000000, 0.0000000000000000, -0.0005765300000000 ] - [ -0.0001316200000000, 0.0000000000000000, -0.0002030200000000 ] - [ -0.0027232100000000, 0.0000000000000000, 0.0027200900000000 ] - [ 0.0021008900000000, 0.0000000000000000, -0.0023091700000000 ] - [ 0.0004850500000000, 0.0000000000000000, 0.0011016100000000 ] - [ -0.0012943600000000, 0.0000000000000000, -0.0001006200000000 ] - [ -0.0004034900000000, -0.0002500100000000, 0.0002054500000000 ] - [ -0.0002024700000000, 0.0000000000000000, 0.0001300700000000 ] - [ -0.0004034900000000, 0.0002500100000000, 0.0002054500000000 ] - [ -0.0000113500000000, 0.0000881800000000, 0.0000506800000000 ] - [ -0.0001246800000000, 0.0000000000000000, 0.0006104500000000 ] - [ -0.0000840200000000, 0.0000000000000000, 0.0001407600000000 ] - [ -0.0000527400000000, -0.0000832200000000, 0.0000880700000000 ] - [ 0.0009581900000000, 0.0000000000000000, 0.0000004600000000 ] - [ -0.0001272300000000, 0.0000000000000000, 0.0001892100000000 ] - [ -0.0000759500000000, -0.0000090600000000, 0.0000106800000000 ] - [ 0.0001164300000000, 0.0000579800000000, 0.0001280600000000 ] - [ -0.0000757000000000, 0.0000000000000000, 0.0001393100000000 ] - [ -0.0004781000000000, 0.0011878900000000, 0.0016817300000000 ] - [ 0.0029227800000000, 0.0000000000000000, 0.0019444000000000 ] - [ -0.0004781000000000, -0.0011878900000000, 0.0016817300000000 ] - [ 0.0193637200000000, 0.0158726400000000, -0.0107439500000000 ] - [ -0.0042057200000000, -0.0001924400000000, -0.0018098900000000 ] - [ 0.0087574000000000, 0.0000000000000000, 0.0073964800000000 ] - [ -0.0003011300000000, 0.0000000000000000, -0.0011542700000000 ] - [ 0.0046424000000000, 0.0000000000000000, -0.0000839100000000 ] - [ 0.0005596800000000, -0.0001604400000000, -0.0001791500000000 ] - [ -0.0001179200000000, 0.0000000000000000, 0.0001619900000000 ] - [ 0.0005596800000000, 0.0001604400000000, -0.0001791500000000 ] - [ -0.0000527400000000, 0.0000832200000000, 0.0000880700000000 ] - [ 0.0001865600000000, 0.0000000000000000, -0.0003402800000000 ] - [ -0.0000077000000000, 0.0000000000000000, 0.0000808700000000 ] - [ -0.0000113500000000, -0.0000881800000000, 0.0000506800000000 ] - [ -0.0006592300000000, 0.0000000000000000, 0.0000082900000000 ] - [ -0.0002681700000000, 0.0000000000000000, -0.0000124200000000 ] - [ 0.0001164300000000, -0.0000579800000000, 0.0001280600000000 ] - [ -0.0000759500000000, 0.0000090600000000, 0.0000106800000000 ] - [ -0.0000535800000000, 0.0000000000000000, 0.0000935000000000 ] - [ -0.0002310800000000, 0.0000976200000000, -0.0013878300000000 ] - [ -0.0080262300000000, 0.0000000000000000, -0.0028948700000000 ] - [ -0.0002310800000000, -0.0000976200000000, -0.0013878300000000 ] - [ -0.0042057200000000, 0.0001924400000000, -0.0018098900000000 ] - [ 0.0193637200000000, -0.0158726400000000, -0.0107439500000000 ] - [ -0.0028336200000000, 0.0000000000000000, 0.0000224800000000 ] - [ 0.0004111600000000, 0.0000382100000000, 0.0002833500000000 ] - [ 0.0000192600000000, 0.0000000000000000, 0.0001306000000000 ] - [ -0.0007943400000000, 0.0000569100000000, -0.0005194700000000 ] - [ 0.0003581000000000, 0.0000000000000000, -0.0003409800000000 ] - [ -0.0002338300000000, 0.0000000000000000, -0.0001077300000000 ] - [ -0.0000453800000000, -0.0000120400000000, -0.0000100400000000 ] - [ 0.0006074600000000, 0.0000000000000000, -0.0008887700000000 ] - [ -0.0000783700000000, -0.0000328900000000, -0.0001697300000000 ] - [ -0.0001384100000000, 0.0000000000000000, -0.0000005300000000 ] - [ -0.0000453800000000, 0.0000120400000000, -0.0000100400000000 ] - [ -0.0000343200000000, 0.0000000000000000, -0.0000117400000000 ] - [ -0.0000783700000000, 0.0000328900000000, -0.0001697300000000 ] - [ -0.0000042400000000, 0.0000000000000000, -0.0000925700000000 ] - [ 0.0000189900000000, -0.0000656800000000, -0.0001205400000000 ] - [ -0.0000233100000000, 0.0000000000000000, -0.0001567700000000 ] - [ 0.0000028200000000, 0.0001049300000000, -0.0000301100000000 ] - [ -0.0000570200000000, 0.0000000000000000, -0.0000997000000000 ] - [ -0.0000517700000000, 0.0000533700000000, -0.0001128300000000 ] - [ -0.0000164800000000, 0.0000000000000000, -0.0000570900000000 ] - [ 0.0000012100000000, -0.0001038200000000, -0.0000337100000000 ] - [ 0.0001491400000000, 0.0000000000000000, -0.0000831000000000 ] - [ -0.0007932300000000, -0.0000808700000000, -0.0004672000000000 ] - [ -0.0000899900000000, 0.0000000000000000, -0.0001945500000000 ] - [ -0.0000115200000000, -0.0000534000000000, -0.0000989400000000 ] - [ -0.0006694200000000, 0.0000000000000000, -0.0011634400000000 ] - [ 0.0005229100000000, 0.0000645900000000, 0.0002658100000000 ] - [ 0.0003430300000000, 0.0000000000000000, -0.0003681300000000 ] - [ -0.0000115200000000, 0.0000534000000000, -0.0000989400000000 ] - [ 0.0025189400000000, 0.0000000000000000, -0.0054362100000000 ] - [ 0.0086016500000000, 0.0049374200000000, 0.0005352900000000 ] - [ 0.0006060500000000, 0.0000000000000000, -0.0010458300000000 ] - [ -0.0012814200000000, 0.0010724200000000, 0.0020113600000000 ] - [ 0.0013474300000000, 0.0000000000000000, 0.0019200300000000 ] - [ 0.0086016500000000, -0.0049374200000000, 0.0005352900000000 ] - [ 0.0041386900000000, 0.0000000000000000, -0.0005654400000000 ] - [ 0.0015189100000000, -0.0003654500000000, -0.0004027800000000 ] - [ 0.0013914600000000, 0.0000000000000000, -0.0088892900000000 ] - [ -0.0790167000000000, 0.0000000000000000, 0.0091417400000000 ] - [ -0.0032846100000000, 0.0024477400000000, 0.0045217600000000 ] - [ -0.0032846100000000, -0.0024477400000000, 0.0045217600000000 ] - [ -0.0007943400000000, -0.0000569100000000, -0.0005194700000000 ] - [ -0.0002317200000000, 0.0000000000000000, 0.0000219200000000 ] - [ 0.0004111600000000, -0.0000382100000000, 0.0002833500000000 ] - [ -0.0002613900000000, 0.0000000000000000, 0.0005466000000000 ] - [ 0.0001105500000000, 0.0000000000000000, -0.0001418400000000 ] - [ -0.0000958700000000, -0.0000027000000000, -0.0000012600000000 ] - [ -0.0000447700000000, 0.0000000000000000, 0.0004937100000000 ] - [ -0.0000405300000000, 0.0000127900000000, 0.0000742900000000 ] - [ -0.0001607000000000, 0.0000000000000000, 0.0000173100000000 ] - [ -0.0000958700000000, 0.0000027000000000, -0.0000012600000000 ] - [ -0.0000417200000000, 0.0000000000000000, -0.0000634600000000 ] - [ -0.0000405300000000, -0.0000127900000000, 0.0000742900000000 ] - [ -0.0000354400000000, 0.0000000000000000, -0.0000727800000000 ] - [ -0.0000517700000000, -0.0000533700000000, -0.0001128300000000 ] - [ -0.0000087400000000, 0.0000000000000000, -0.0000846100000000 ] - [ 0.0000012100000000, 0.0001038200000000, -0.0000337100000000 ] - [ 0.0001805300000000, 0.0000000000000000, 0.0000114300000000 ] - [ 0.0000189900000000, 0.0000656800000000, -0.0001205400000000 ] - [ -0.0000053400000000, 0.0000000000000000, 0.0000136100000000 ] - [ 0.0000028200000000, -0.0001049300000000, -0.0000301100000000 ] - [ -0.0002659800000000, 0.0000000000000000, -0.0000321900000000 ] - [ 0.0005229100000000, -0.0000645900000000, 0.0002658100000000 ] - [ -0.0000554200000000, 0.0000000000000000, -0.0001070900000000 ] - [ 0.0000755600000000, 0.0000357300000000, 0.0002247200000000 ] - [ 0.0009980300000000, 0.0000000000000000, 0.0016686200000000 ] - [ -0.0007932300000000, 0.0000808700000000, -0.0004672000000000 ] - [ -0.0002944900000000, 0.0000000000000000, 0.0005789400000000 ] - [ 0.0000755600000000, -0.0000357300000000, 0.0002247200000000 ] - [ 0.0011440800000000, 0.0000000000000000, 0.0011839600000000 ] - [ 0.0070355200000000, 0.0043572200000000, 0.0008080200000000 ] - [ -0.0000274600000000, 0.0000000000000000, 0.0008077500000000 ] - [ 0.0015189100000000, 0.0003654500000000, -0.0004027800000000 ] - [ -0.0004983000000000, 0.0000000000000000, -0.0014088400000000 ] - [ 0.0070355200000000, -0.0043572200000000, 0.0008080200000000 ] - [ -0.0055836000000000, 0.0000000000000000, 0.0013776100000000 ] - [ -0.0012814200000000, -0.0010724200000000, 0.0020113600000000 ] - [ 0.0011420100000000, 0.0000000000000000, 0.0014915500000000 ] - [ 0.0037817400000000, 0.0000000000000000, -0.0001024100000000 ] - [ 0.0017408400000000, 0.0003047200000000, -0.0003097600000000 ] - [ 0.0017408400000000, -0.0003047200000000, -0.0003097600000000 ]- atom: 98 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0026477700000000, 0.0000000000000000, -0.0009625300000000 ] - [ -0.0000144200000000, 0.0000000000000000, 0.0001252400000000 ] - [ -0.0000427800000000, 0.0000000000000000, -0.0000619200000000 ] - [ -0.0000559400000000, 0.0000000000000000, -0.0000613300000000 ] - [ 0.0000790000000000, 0.0000000000000000, -0.0001194500000000 ] - [ 0.0000525200000000, 0.0000000000000000, -0.0000591900000000 ] - [ 0.0013048300000000, 0.0000000000000000, 0.0000099600000000 ] - [ -0.0000513200000000, 0.0000000000000000, -0.0002897700000000 ] - [ -0.0171312600000000, 0.0000000000000000, -0.0045986700000000 ] - [ 0.0037104000000000, 0.0000000000000000, -0.0015601800000000 ] - [ 0.0000882900000000, 0.0000000000000000, 0.0006020600000000 ] - [ -0.0001219100000000, 0.0000000000000000, -0.0003961800000000 ] - [ -0.0000748100000000, 0.0000000000000000, -0.0000582800000000 ] - [ -0.0001676400000000, 0.0000000000000000, 0.0000313700000000 ] - [ -0.0000923200000000, 0.0000000000000000, -0.0000004100000000 ] - [ 0.0000151600000000, 0.0000000000000000, -0.0000626000000000 ] - [ -0.0017079500000000, 0.0000000000000000, 0.0006226200000000 ] - [ 0.0001371500000000, 0.0000000000000000, 0.0001430400000000 ] - [ 0.0026737900000000, 0.0000000000000000, -0.0027792900000000 ] - [ -0.0018248200000000, 0.0000000000000000, 0.0022468300000000 ] - [ -0.0003615400000000, 0.0000000000000000, -0.0011385700000000 ] - [ 0.0014595700000000, 0.0000000000000000, 0.0000973900000000 ] - [ 0.0004423000000000, -0.0000480700000000, -0.0002275300000000 ] - [ -0.0001104600000000, 0.0000000000000000, -0.0000031900000000 ] - [ 0.0004423000000000, 0.0000480700000000, -0.0002275300000000 ] - [ -0.0000588100000000, 0.0000918000000000, -0.0000698200000000 ] - [ 0.0001249100000000, 0.0000000000000000, -0.0005686200000000 ] - [ -0.0000067200000000, 0.0000000000000000, -0.0000875900000000 ] - [ -0.0000172200000000, -0.0000966800000000, -0.0001071200000000 ] - [ -0.0008584700000000, 0.0000000000000000, -0.0001193800000000 ] - [ -0.0002104000000000, 0.0000000000000000, -0.0001777700000000 ] - [ 0.0001220600000000, -0.0000733600000000, -0.0000328500000000 ] - [ -0.0000721900000000, 0.0000243600000000, -0.0001497400000000 ] - [ -0.0000491100000000, 0.0000000000000000, -0.0000763300000000 ] - [ 0.0007433000000000, -0.0012129300000000, -0.0017223300000000 ] - [ -0.0030442100000000, 0.0000000000000000, -0.0019668300000000 ] - [ 0.0007433000000000, 0.0012129300000000, -0.0017223300000000 ] - [ -0.0192887000000000, -0.0154436800000000, 0.0103412800000000 ] - [ 0.0042607300000000, 0.0001678900000000, 0.0017399300000000 ] - [ -0.0087833400000000, 0.0000000000000000, -0.0078694200000000 ] - [ 0.0004120400000000, 0.0000000000000000, 0.0011266800000000 ] - [ -0.0044650100000000, 0.0000000000000000, 0.0000620800000000 ] - [ -0.0005215000000000, -0.0001375900000000, 0.0001522900000000 ] - [ -0.0001943900000000, 0.0000000000000000, -0.0000364100000000 ] - [ -0.0005215000000000, 0.0001375900000000, 0.0001522900000000 ] - [ -0.0000172200000000, 0.0000966800000000, -0.0001071200000000 ] - [ -0.0001854100000000, 0.0000000000000000, 0.0003884500000000 ] - [ -0.0000827800000000, 0.0000000000000000, -0.0000274100000000 ] - [ -0.0000588100000000, -0.0000918000000000, -0.0000698200000000 ] - [ 0.0007640800000000, 0.0000000000000000, -0.0001354700000000 ] - [ -0.0000714200000000, 0.0000000000000000, 0.0000241100000000 ] - [ -0.0000721900000000, -0.0000243600000000, -0.0001497400000000 ] - [ 0.0001220600000000, 0.0000733600000000, -0.0000328500000000 ] - [ -0.0000706500000000, 0.0000000000000000, -0.0000304900000000 ] - [ 0.0005239300000000, -0.0001219400000000, 0.0013512700000000 ] - [ 0.0078968900000000, 0.0000000000000000, 0.0028543600000000 ] - [ 0.0005239300000000, 0.0001219400000000, 0.0013512700000000 ] - [ 0.0042607300000000, -0.0001678900000000, 0.0017399300000000 ] - [ -0.0192887000000000, 0.0154436800000000, 0.0103412800000000 ] - [ 0.0029328500000000, 0.0000000000000000, -0.0000626600000000 ] - [ -0.0004613600000000, 0.0002334000000000, -0.0002983700000000 ] - [ -0.0002185200000000, 0.0000000000000000, 0.0001550900000000 ] - [ 0.0007411200000000, -0.0003278200000000, 0.0005084200000000 ] - [ -0.0004181500000000, 0.0000000000000000, 0.0003179200000000 ] - [ 0.0000819300000000, 0.0000000000000000, 0.0000315900000000 ] - [ -0.0000795600000000, -0.0000090000000000, 0.0000985500000000 ] - [ -0.0004620800000000, 0.0000000000000000, 0.0006470300000000 ] - [ -0.0000361000000000, 0.0000324300000000, 0.0001446000000000 ] - [ -0.0001649600000000, 0.0000000000000000, 0.0001571200000000 ] - [ -0.0000795600000000, 0.0000090000000000, 0.0000985500000000 ] - [ -0.0000575400000000, 0.0000000000000000, 0.0000324800000000 ] - [ -0.0000361000000000, -0.0000324300000000, 0.0001446000000000 ] - [ -0.0000559300000000, 0.0000000000000000, 0.0000301200000000 ] - [ -0.0000374000000000, -0.0000593400000000, -0.0000145500000000 ] - [ -0.0000199500000000, 0.0000000000000000, 0.0000554500000000 ] - [ 0.0000137400000000, 0.0001160600000000, 0.0000632000000000 ] - [ 0.0001838000000000, 0.0000000000000000, 0.0001242100000000 ] - [ 0.0000337000000000, 0.0000715400000000, -0.0000227800000000 ] - [ -0.0000202700000000, 0.0000000000000000, 0.0001094300000000 ] - [ 0.0000155100000000, -0.0001172200000000, 0.0000669600000000 ] - [ -0.0003160800000000, 0.0000000000000000, 0.0001212000000000 ] - [ 0.0007446500000000, 0.0001049200000000, 0.0003985800000000 ] - [ -0.0000670100000000, 0.0000000000000000, 0.0000365000000000 ] - [ 0.0000845600000000, 0.0000526700000000, 0.0003038400000000 ] - [ 0.0009372800000000, 0.0000000000000000, 0.0011087300000000 ] - [ -0.0005782500000000, -0.0000885300000000, -0.0003318300000000 ] - [ -0.0003215000000000, 0.0000000000000000, 0.0004507100000000 ] - [ 0.0000845600000000, -0.0000526700000000, 0.0003038400000000 ] - [ -0.0024227100000000, 0.0000000000000000, 0.0054854200000000 ] - [ -0.0086497800000000, -0.0049672200000000, -0.0005340700000000 ] - [ -0.0005528700000000, 0.0000000000000000, 0.0010884200000000 ] - [ 0.0014813100000000, -0.0009754600000000, -0.0020740800000000 ] - [ -0.0013811000000000, 0.0000000000000000, -0.0016856000000000 ] - [ -0.0086497800000000, 0.0049672200000000, -0.0005340700000000 ] - [ -0.0038184700000000, 0.0000000000000000, 0.0004862800000000 ] - [ -0.0012973100000000, 0.0002522200000000, 0.0003674600000000 ] - [ -0.0014128900000000, 0.0000000000000000, 0.0090285300000000 ] - [ 0.0804624500000000, 0.0000000000000000, -0.0070512400000000 ] - [ 0.0034069400000000, -0.0023933100000000, -0.0044541300000000 ] - [ 0.0034069400000000, 0.0023933100000000, -0.0044541300000000 ] - [ 0.0007411200000000, 0.0003278200000000, 0.0005084200000000 ] - [ 0.0000323800000000, 0.0000000000000000, 0.0002657900000000 ] - [ -0.0004613600000000, -0.0002334000000000, -0.0002983700000000 ] - [ 0.0002085500000000, 0.0000000000000000, -0.0005647900000000 ] - [ -0.0002616400000000, 0.0000000000000000, 0.0000642100000000 ] - [ -0.0000287800000000, -0.0000181000000000, 0.0000901100000000 ] - [ 0.0001938400000000, 0.0000000000000000, -0.0007295800000000 ] - [ -0.0000721700000000, -0.0000129600000000, -0.0000985400000000 ] - [ -0.0001423700000000, 0.0000000000000000, 0.0001392700000000 ] - [ -0.0000287800000000, 0.0000181000000000, 0.0000901100000000 ] - [ -0.0000504700000000, 0.0000000000000000, 0.0000840900000000 ] - [ -0.0000721700000000, 0.0000129600000000, -0.0000985400000000 ] - [ -0.0000240800000000, 0.0000000000000000, 0.0000106100000000 ] - [ 0.0000337000000000, -0.0000715400000000, -0.0000227800000000 ] - [ -0.0000349200000000, 0.0000000000000000, -0.0000163600000000 ] - [ 0.0000155100000000, 0.0001172200000000, 0.0000669600000000 ] - [ -0.0000548600000000, 0.0000000000000000, 0.0000149700000000 ] - [ -0.0000374000000000, 0.0000593400000000, -0.0000145500000000 ] - [ -0.0000318300000000, 0.0000000000000000, 0.0000385800000000 ] - [ 0.0000137400000000, -0.0001160600000000, 0.0000632000000000 ] - [ 0.0001006700000000, 0.0000000000000000, 0.0000687200000000 ] - [ -0.0005782500000000, 0.0000885300000000, -0.0003318300000000 ] - [ -0.0001019400000000, 0.0000000000000000, -0.0000511500000000 ] - [ -0.0000040400000000, -0.0000371400000000, -0.0000212800000000 ] - [ -0.0007444900000000, 0.0000000000000000, -0.0017165600000000 ] - [ 0.0007446500000000, -0.0001049200000000, 0.0003985800000000 ] - [ 0.0003111300000000, 0.0000000000000000, -0.0005017400000000 ] - [ -0.0000040400000000, 0.0000371400000000, -0.0000212800000000 ] - [ -0.0010691500000000, 0.0000000000000000, -0.0011510700000000 ] - [ -0.0069321000000000, -0.0042550900000000, -0.0008012400000000 ] - [ 0.0000759000000000, 0.0000000000000000, -0.0007787100000000 ] - [ -0.0012973100000000, -0.0002522200000000, 0.0003674600000000 ] - [ 0.0004436200000000, 0.0000000000000000, 0.0016660500000000 ] - [ -0.0069321000000000, 0.0042550900000000, -0.0008012400000000 ] - [ 0.0059095400000000, 0.0000000000000000, -0.0014578200000000 ] - [ 0.0014813100000000, 0.0009754600000000, -0.0020740800000000 ] - [ -0.0011591500000000, 0.0000000000000000, -0.0012809600000000 ] - [ -0.0037473300000000, 0.0000000000000000, 0.0000917100000000 ] - [ -0.0016430800000000, -0.0002537800000000, 0.0003592900000000 ] - [ -0.0016430800000000, 0.0002537800000000, 0.0003592900000000 ]- atom: 98 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000396100000000, -0.0001047400000000, -0.0000764900000000 ] - [ -0.0000764500000000, 0.0000136400000000, -0.0000161800000000 ] - [ -0.0000598700000000, 0.0000014300000000, -0.0000088300000000 ] - [ -0.0000987300000000, 0.0000147500000000, 0.0000433100000000 ] - [ -0.0000074900000000, -0.0000045500000000, -0.0000154900000000 ] - [ 0.0000353700000000, -0.0000004700000000, -0.0000034000000000 ] - [ 0.0000212800000000, 0.0000238400000000, 0.0000181100000000 ] - [ 0.0000012200000000, -0.0000435900000000, -0.0000298500000000 ] - [ 0.0000204700000000, 0.0079599500000000, -0.0000169900000000 ] - [ 0.0001156200000000, 0.0012122100000000, -0.0000256100000000 ] - [ 0.0000306900000000, -0.0036126400000000, -0.0000752900000000 ] - [ -0.0000764600000000, 0.0001580900000000, -0.0000169600000000 ] - [ -0.0000592400000000, 0.0000014100000000, -0.0000089800000000 ] - [ -0.0000987700000000, 0.0000138000000000, 0.0000433600000000 ] - [ -0.0000067500000000, -0.0000102800000000, -0.0000152100000000 ] - [ 0.0000354100000000, 0.0000000400000000, -0.0000036600000000 ] - [ 0.0000191900000000, -0.0013042300000000, 0.0000181500000000 ] - [ 0.0000018700000000, -0.0000211100000000, -0.0000304800000000 ] - [ -0.0000249400000000, -0.0022612800000000, -0.0000356800000000 ] - [ 0.0001098000000000, -0.0037821000000000, -0.0000344300000000 ] - [ 0.0000643200000000, -0.0004749600000000, -0.0000161800000000 ] - [ 0.0000793200000000, -0.0001296500000000, 0.0000003900000000 ] - [ 0.0000041800000000, -0.0001513700000000, -0.0000064100000000 ] - [ -0.0001547100000000, -0.0000008100000000, 0.0000620400000000 ] - [ 0.0000272700000000, 0.0001507500000000, -0.0000184500000000 ] - [ -0.0000351400000000, 0.0000907900000000, -0.0000112100000000 ] - [ -0.0000028600000000, 0.0000149100000000, 0.0000202500000000 ] - [ -0.0000430100000000, 0.0000017200000000, 0.0000287300000000 ] - [ -0.0000332800000000, -0.0000907100000000, -0.0000084100000000 ] - [ 0.0000555300000000, 0.0001560600000000, -0.0000582200000000 ] - [ -0.0001730300000000, -0.0000441600000000, 0.0000040700000000 ] - [ 0.0000336200000000, -0.0000402100000000, -0.0000041700000000 ] - [ 0.0000182200000000, 0.0000411900000000, -0.0000163800000000 ] - [ -0.0000651500000000, -0.0000004500000000, 0.0000297500000000 ] - [ 0.0001667300000000, 0.0000544100000000, -0.0000638900000000 ] - [ 0.0000050300000000, -0.0064708600000000, -0.0000176400000000 ] - [ 0.0001009200000000, 0.0000670900000000, 0.0000286600000000 ] - [ 0.0147972000000000, 0.0269500800000000, -0.0164909000000000 ] - [ 0.0009530300000000, 0.0000205600000000, 0.0007733600000000 ] - [ 0.0000503200000000, 0.0063928700000000, -0.0002494300000000 ] - [ 0.0000652900000000, 0.0003181300000000, -0.0000156400000000 ] - [ 0.0000716000000000, 0.0042555300000000, -0.0000047500000000 ] - [ -0.0001313100000000, -0.0001449600000000, -0.0002926300000000 ] - [ -0.0001545600000000, -0.0000030600000000, 0.0000616700000000 ] - [ 0.0001608600000000, 0.0001566700000000, 0.0002682000000000 ] - [ -0.0000349400000000, 0.0000910200000000, -0.0000106900000000 ] - [ -0.0000021200000000, 0.0000794100000000, 0.0000196100000000 ] - [ -0.0000416100000000, 0.0000014100000000, 0.0000289800000000 ] - [ -0.0000326000000000, -0.0000909500000000, -0.0000079900000000 ] - [ 0.0000544200000000, 0.0000080700000000, -0.0000615600000000 ] - [ -0.0001727000000000, -0.0000316200000000, 0.0000040700000000 ] - [ 0.0000277000000000, -0.0000410300000000, -0.0000073800000000 ] - [ 0.0000120900000000, 0.0000417100000000, -0.0000186300000000 ] - [ -0.0000648000000000, 0.0000007300000000, 0.0000297500000000 ] - [ 0.0014257800000000, 0.0001505100000000, 0.0009000600000000 ] - [ -0.0000334500000000, 0.0048381700000000, -0.0000068600000000 ] - [ -0.0011484200000000, 0.0001786900000000, -0.0009383600000000 ] - [ -0.0009064000000000, 0.0000445800000000, -0.0008510800000000 ] - [ -0.0138196300000000, 0.0256911000000000, 0.0152966800000000 ] - [ 0.0000423500000000, -0.0003799700000000, -0.0000186800000000 ] - [ -0.0000086600000000, 0.0001124400000000, -0.0000238200000000 ] - [ -0.0001033800000000, 0.0000063300000000, 0.0001394400000000 ] - [ 0.0003710200000000, -0.0000494900000000, -0.0004449900000000 ] - [ -0.0000335600000000, 0.0000238000000000, -0.0000074600000000 ] - [ -0.0000738000000000, 0.0000237500000000, -0.0000368800000000 ] - [ -0.0000658200000000, -0.0000086000000000, 0.0000472700000000 ] - [ 0.0000763600000000, 0.0000089000000000, -0.0001169400000000 ] - [ -0.0000819700000000, -0.0000038000000000, 0.0000228900000000 ] - [ -0.0001508700000000, -0.0000005000000000, 0.0000801000000000 ] - [ -0.0000615500000000, 0.0000083200000000, 0.0000399600000000 ] - [ -0.0000444800000000, -0.0000049800000000, 0.0000094400000000 ] - [ -0.0000246800000000, 0.0000005900000000, -0.0000471600000000 ] - [ -0.0000301800000000, 0.0000004700000000, -0.0000316000000000 ] - [ -0.0000119800000000, -0.0000573500000000, -0.0000675600000000 ] - [ -0.0000221200000000, 0.0000021800000000, -0.0000480300000000 ] - [ 0.0000089600000000, 0.0001125100000000, 0.0000182600000000 ] - [ 0.0000643300000000, 0.0000005000000000, 0.0000160300000000 ] - [ -0.0000099700000000, 0.0000574200000000, -0.0000719300000000 ] - [ -0.0000142200000000, -0.0000013800000000, 0.0000252500000000 ] - [ 0.0000090700000000, -0.0001119000000000, 0.0000158300000000 ] - [ -0.0000868600000000, 0.0000053400000000, 0.0000179500000000 ] - [ -0.0002163600000000, 0.0000128200000000, 0.0000717800000000 ] - [ -0.0000796700000000, 0.0000018300000000, -0.0000823000000000 ] - [ 0.0000328100000000, 0.0000057300000000, 0.0001143400000000 ] - [ 0.0001279700000000, 0.0004150300000000, -0.0000203700000000 ] - [ -0.0000585800000000, -0.0000229000000000, -0.0000542600000000 ] - [ 0.0000144200000000, 0.0000182100000000, 0.0000408000000000 ] - [ 0.0000438100000000, -0.0000050600000000, 0.0000905400000000 ] - [ 0.0000541000000000, -0.0015061300000000, -0.0000070400000000 ] - [ 0.0051742400000000, 0.0017779700000000, 0.0000857800000000 ] - [ 0.0000267300000000, 0.0000229400000000, 0.0000116800000000 ] - [ 0.0020275800000000, 0.0021103500000000, 0.0036510500000000 ] - [ -0.0000133000000000, -0.0008381300000000, 0.0001246400000000 ] - [ -0.0051625900000000, 0.0017161000000000, -0.0000903100000000 ] - [ 0.0001620100000000, -0.0011071600000000, -0.0000405600000000 ] - [ 0.0000790600000000, -0.0000957400000000, 0.0002227200000000 ] - [ -0.0000144900000000, -0.0055828200000000, 0.0001200200000000 ] - [ -0.0009940500000000, -0.0942746600000000, 0.0013364400000000 ] - [ 0.0034529900000000, 0.0018186200000000, 0.0090129400000000 ] - [ -0.0033942600000000, 0.0017372300000000, -0.0090153500000000 ] - [ -0.0004185600000000, 0.0002138300000000, 0.0004434900000000 ] - [ -0.0001029000000000, -0.0000272200000000, 0.0001397900000000 ] - [ -0.0000418300000000, -0.0001487500000000, 0.0000203500000000 ] - [ -0.0000335500000000, -0.0006521000000000, -0.0000092600000000 ] - [ -0.0000742300000000, -0.0000072800000000, -0.0000367800000000 ] - [ -0.0000645200000000, -0.0000088500000000, 0.0000473200000000 ] - [ 0.0000781100000000, 0.0005894100000000, -0.0001182000000000 ] - [ -0.0000254100000000, 0.0000027400000000, 0.0000329000000000 ] - [ -0.0001505400000000, -0.0000004200000000, 0.0000800800000000 ] - [ -0.0000627700000000, 0.0000072800000000, 0.0000394000000000 ] - [ -0.0000446900000000, -0.0000026900000000, 0.0000095600000000 ] - [ -0.0000813500000000, 0.0000066500000000, -0.0000582400000000 ] - [ -0.0000301100000000, -0.0000000200000000, -0.0000309000000000 ] - [ -0.0000128500000000, -0.0000576000000000, -0.0000683500000000 ] - [ -0.0000219800000000, 0.0000047800000000, -0.0000482700000000 ] - [ 0.0000093200000000, 0.0001117500000000, 0.0000186200000000 ] - [ 0.0000645500000000, -0.0000054400000000, 0.0000168100000000 ] - [ -0.0000113800000000, 0.0000567900000000, -0.0000715200000000 ] - [ -0.0000144100000000, -0.0000044200000000, 0.0000256100000000 ] - [ 0.0000086700000000, -0.0001124700000000, 0.0000151400000000 ] - [ -0.0000875300000000, -0.0000050000000000, 0.0000178800000000 ] - [ 0.0000018500000000, 0.0000118800000000, -0.0000171000000000 ] - [ -0.0000792000000000, 0.0000062700000000, -0.0000822700000000 ] - [ 0.0000585100000000, 0.0000179800000000, 0.0001357000000000 ] - [ 0.0001312400000000, -0.0007555000000000, -0.0000251300000000 ] - [ 0.0001583400000000, -0.0000200200000000, -0.0001451900000000 ] - [ 0.0000133800000000, -0.0004412900000000, 0.0000403000000000 ] - [ 0.0000183100000000, 0.0000082700000000, 0.0000701400000000 ] - [ 0.0000373000000000, 0.0009512600000000, 0.0000120500000000 ] - [ 0.0067344500000000, 0.0021787700000000, 0.0012253800000000 ] - [ 0.0000244000000000, 0.0007131000000000, 0.0000140900000000 ] - [ 0.0001518600000000, 0.0000351500000000, -0.0002592700000000 ] - [ -0.0000241900000000, 0.0019224100000000, 0.0001347300000000 ] - [ -0.0066253300000000, 0.0021415300000000, -0.0012090100000000 ] - [ 0.0001572500000000, 0.0228563100000000, -0.0000237400000000 ] - [ -0.0017972500000000, 0.0019972800000000, -0.0036722800000000 ] - [ -0.0000098900000000, 0.0008237000000000, 0.0001117300000000 ] - [ 0.0000170500000000, 0.0012163200000000, -0.0000117900000000 ] - [ 0.0002603600000000, 0.0000730500000000, -0.0002447500000000 ] - [ -0.0001664400000000, 0.0000182200000000, 0.0003023200000000 ]- atom: 98 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ 0.0038683600000000, 0.0000000000000000, -0.0000867800000000 ] - [ -0.0007632700000000, 0.0000000000000000, -0.0009127600000000 ] - [ -0.0000890700000000, 0.0000000000000000, -0.0011567100000000 ] - [ -0.0000623800000000, 0.0000000000000000, -0.0012401600000000 ] - [ 0.0000576400000000, 0.0000000000000000, -0.0011118000000000 ] - [ -0.0000246300000000, 0.0000000000000000, -0.0013324100000000 ] - [ -0.0000391500000000, 0.0000000000000000, 0.0003757300000000 ] - [ 0.0004981400000000, 0.0000000000000000, -0.0013677600000000 ] - [ 0.0076448000000000, 0.0000000000000000, 0.0174664100000000 ] - [ 0.0020341800000000, 0.0000000000000000, 0.0046085100000000 ] - [ -0.0038082500000000, 0.0000000000000000, -0.0006864700000000 ] - [ 0.0005376000000000, 0.0000000000000000, -0.0016144400000000 ] - [ -0.0000451300000000, 0.0000000000000000, -0.0012144900000000 ] - [ -0.0002323600000000, 0.0000000000000000, -0.0014004200000000 ] - [ -0.0000086500000000, 0.0000000000000000, -0.0012676800000000 ] - [ 0.0000015900000000, 0.0000000000000000, -0.0013729800000000 ] - [ 0.0032570000000000, 0.0000000000000000, -0.0022870700000000 ] - [ -0.0005999400000000, 0.0000000000000000, -0.0011630600000000 ] - [ 0.0009721700000000, 0.0000000000000000, 0.0030824700000000 ] - [ -0.0018588500000000, 0.0000000000000000, 0.0069390000000000 ] - [ 0.0023326400000000, 0.0000000000000000, -0.0012673400000000 ] - [ -0.0000182700000000, 0.0000000000000000, 0.0006291100000000 ] - [ 0.0002979100000000, 0.0000437200000000, -0.0012465200000000 ] - [ -0.0001415200000000, 0.0000000000000000, -0.0016768600000000 ] - [ 0.0002979100000000, -0.0000437200000000, -0.0012465200000000 ] - [ -0.0001243600000000, 0.0001833000000000, -0.0018797500000000 ] - [ 0.0001745200000000, 0.0000000000000000, -0.0017767100000000 ] - [ 0.0000472800000000, 0.0000000000000000, -0.0018778600000000 ] - [ -0.0000385800000000, -0.0001681200000000, -0.0018311600000000 ] - [ 0.0004016200000000, 0.0000000000000000, -0.0033172200000000 ] - [ 0.0002407300000000, 0.0000000000000000, -0.0020553800000000 ] - [ -0.0002343700000000, -0.0000241200000000, -0.0017716200000000 ] - [ 0.0001190200000000, -0.0000092200000000, -0.0019329500000000 ] - [ 0.0000018500000000, 0.0000000000000000, -0.0019068500000000 ] - [ 0.0024711200000000, -0.0028516200000000, -0.0010721500000000 ] - [ 0.0005566000000000, 0.0000000000000000, 0.0072247400000000 ] - [ 0.0024711200000000, 0.0028516200000000, -0.0010721500000000 ] - [ -0.0058319300000000, -0.0133424500000000, 0.0244706500000000 ] - [ -0.0008839700000000, 0.0002928600000000, 0.0040255300000000 ] - [ 0.0072020200000000, 0.0000000000000000, 0.0914315100000000 ] - [ -0.0018424800000000, 0.0000000000000000, -0.0001282600000000 ] - [ 0.0006292200000000, 0.0000000000000000, -0.0078338000000000 ] - [ -0.0002868700000000, -0.0000519400000000, -0.0027702600000000 ] - [ -0.0000460700000000, 0.0000000000000000, -0.0020779700000000 ] - [ -0.0002868700000000, 0.0000519400000000, -0.0027702600000000 ] - [ -0.0000385800000000, 0.0001681200000000, -0.0018311600000000 ] - [ -0.0000741400000000, 0.0000000000000000, -0.0026925900000000 ] - [ -0.0000207000000000, 0.0000000000000000, -0.0019710200000000 ] - [ -0.0001243600000000, -0.0001833000000000, -0.0018797500000000 ] - [ -0.0001705400000000, 0.0000000000000000, -0.0012036400000000 ] - [ -0.0004578300000000, 0.0000000000000000, -0.0018656300000000 ] - [ 0.0001190200000000, 0.0000092200000000, -0.0019329500000000 ] - [ -0.0002343700000000, 0.0000241200000000, -0.0017716200000000 ] - [ -0.0000123900000000, 0.0000000000000000, -0.0019413900000000 ] - [ -0.0048618800000000, -0.0006239100000000, -0.0016415200000000 ] - [ -0.0024341100000000, 0.0000000000000000, 0.0056885800000000 ] - [ -0.0048618800000000, 0.0006239100000000, -0.0016415200000000 ] - [ -0.0008839700000000, -0.0002928600000000, 0.0040255300000000 ] - [ -0.0058319300000000, 0.0133424500000000, 0.0244706500000000 ] - [ -0.0008089700000000, 0.0000000000000000, 0.0041854100000000 ] - [ 0.0003329400000000, -0.0000149300000000, 0.0001565100000000 ] - [ -0.0001344900000000, 0.0000000000000000, 0.0013514200000000 ] - [ -0.0005398000000000, -0.0006251100000000, 0.0020864600000000 ] - [ -0.0009108600000000, 0.0000000000000000, 0.0003732800000000 ] - [ -0.0003552700000000, 0.0000000000000000, 0.0014449600000000 ] - [ 0.0000498300000000, -0.0001131800000000, 0.0011036000000000 ] - [ -0.0008872800000000, 0.0000000000000000, 0.0011833900000000 ] - [ -0.0002124500000000, 0.0001096700000000, 0.0010647200000000 ] - [ -0.0002326100000000, 0.0000000000000000, 0.0016558600000000 ] - [ 0.0000498300000000, 0.0001131800000000, 0.0011036000000000 ] - [ -0.0001756000000000, 0.0000000000000000, 0.0011683900000000 ] - [ -0.0002124500000000, -0.0001096700000000, 0.0010647200000000 ] - [ -0.0002559800000000, 0.0000000000000000, 0.0011207400000000 ] - [ 0.0001185500000000, -0.0001651400000000, 0.0010042600000000 ] - [ -0.0001415600000000, 0.0000000000000000, 0.0015710000000000 ] - [ 0.0001568400000000, 0.0002368900000000, 0.0011510500000000 ] - [ -0.0000648600000000, 0.0000000000000000, 0.0017743300000000 ] - [ 0.0001497000000000, 0.0001861600000000, 0.0011092400000000 ] - [ -0.0002784100000000, 0.0000000000000000, 0.0012015300000000 ] - [ 0.0001609400000000, -0.0002354900000000, 0.0011457100000000 ] - [ -0.0002551900000000, 0.0000000000000000, 0.0010442900000000 ] - [ -0.0006563200000000, 0.0003519700000000, 0.0013721900000000 ] - [ -0.0001971300000000, 0.0000000000000000, 0.0015388200000000 ] - [ 0.0000083000000000, 0.0001217200000000, 0.0011498000000000 ] - [ -0.0010813900000000, 0.0000000000000000, -0.0028084200000000 ] - [ 0.0004835700000000, 0.0000236000000000, 0.0003315900000000 ] - [ -0.0004393500000000, 0.0000000000000000, 0.0003270700000000 ] - [ 0.0000083000000000, -0.0001217200000000, 0.0011498000000000 ] - [ -0.0091737200000000, 0.0000000000000000, 0.0058495400000000 ] - [ 0.0005903500000000, 0.0006336400000000, -0.0047466300000000 ] - [ -0.0010208100000000, 0.0000000000000000, 0.0016194500000000 ] - [ 0.0048509500000000, 0.0063476000000000, 0.0059879800000000 ] - [ 0.0022248400000000, 0.0000000000000000, -0.0016414400000000 ] - [ 0.0005903500000000, -0.0006336400000000, -0.0047466300000000 ] - [ 0.0008996300000000, 0.0000000000000000, -0.0026554800000000 ] - [ -0.0008592500000000, 0.0005998400000000, -0.0018258300000000 ] - [ -0.0101567900000000, 0.0000000000000000, 0.0079840800000000 ] - [ -0.0030093400000000, 0.0000000000000000, -0.1819245200000000 ] - [ 0.0053530100000000, 0.0084779900000000, 0.0104837500000000 ] - [ 0.0053530100000000, -0.0084779900000000, 0.0104837500000000 ] - [ -0.0005398000000000, 0.0006251100000000, 0.0020864600000000 ] - [ -0.0001937400000000, 0.0000000000000000, 0.0020423900000000 ] - [ 0.0003329400000000, 0.0000149300000000, 0.0001565100000000 ] - [ 0.0012155400000000, 0.0000000000000000, 0.0019966600000000 ] - [ -0.0002677000000000, 0.0000000000000000, 0.0009137000000000 ] - [ 0.0001185500000000, -0.0001444400000000, 0.0012468900000000 ] - [ 0.0009247100000000, 0.0000000000000000, 0.0024332600000000 ] - [ 0.0004060500000000, 0.0001507900000000, 0.0012596000000000 ] - [ -0.0002048500000000, 0.0000000000000000, 0.0017261300000000 ] - [ 0.0001185500000000, 0.0001444400000000, 0.0012468900000000 ] - [ -0.0003283000000000, 0.0000000000000000, 0.0011996400000000 ] - [ 0.0004060500000000, -0.0001507900000000, 0.0012596000000000 ] - [ -0.0002363800000000, 0.0000000000000000, 0.0011678500000000 ] - [ 0.0001497000000000, -0.0001861600000000, 0.0011092400000000 ] - [ -0.0000437800000000, 0.0000000000000000, 0.0015728200000000 ] - [ 0.0001609400000000, 0.0002354900000000, 0.0011457100000000 ] - [ 0.0000809600000000, 0.0000000000000000, 0.0012409300000000 ] - [ 0.0001185500000000, 0.0001651400000000, 0.0010042600000000 ] - [ -0.0001625100000000, 0.0000000000000000, 0.0011927300000000 ] - [ 0.0001568400000000, -0.0002368900000000, 0.0011510500000000 ] - [ -0.0004653700000000, 0.0000000000000000, 0.0014139400000000 ] - [ 0.0004835700000000, -0.0000236000000000, 0.0003315900000000 ] - [ -0.0000997300000000, 0.0000000000000000, 0.0015821900000000 ] - [ 0.0004401100000000, 0.0002295200000000, 0.0014023300000000 ] - [ 0.0019475300000000, 0.0000000000000000, -0.0025180300000000 ] - [ -0.0006563200000000, -0.0003519700000000, 0.0013721900000000 ] - [ 0.0007359100000000, 0.0000000000000000, 0.0016680100000000 ] - [ 0.0004401100000000, -0.0002295200000000, 0.0014023300000000 ] - [ 0.0029130100000000, 0.0000000000000000, -0.0021474800000000 ] - [ -0.0005715900000000, 0.0009452200000000, -0.0060696100000000 ] - [ 0.0010990900000000, 0.0000000000000000, 0.0035507500000000 ] - [ -0.0008592500000000, -0.0005998400000000, -0.0018258300000000 ] - [ -0.0019678700000000, 0.0000000000000000, -0.0016851100000000 ] - [ -0.0005715900000000, -0.0009452200000000, -0.0060696100000000 ] - [ 0.0008608400000000, 0.0000000000000000, -0.0084048000000000 ] - [ 0.0048509500000000, -0.0063476000000000, 0.0059879800000000 ] - [ 0.0020277100000000, 0.0000000000000000, -0.0017443100000000 ] - [ 0.0004647000000000, 0.0000000000000000, -0.0036429800000000 ] - [ -0.0007828100000000, -0.0003852100000000, -0.0015441200000000 ] - [ -0.0007828100000000, 0.0003852100000000, -0.0015441200000000 ]- atom: 98 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ -0.0037990300000000, 0.0000000000000000, -0.0000761900000000 ] - [ 0.0006108000000000, 0.0000000000000000, 0.0008759300000000 ] - [ -0.0000282500000000, 0.0000000000000000, 0.0011349800000000 ] - [ -0.0001358500000000, 0.0000000000000000, 0.0013240700000000 ] - [ -0.0000715600000000, 0.0000000000000000, 0.0010783100000000 ] - [ 0.0000948400000000, 0.0000000000000000, 0.0013212800000000 ] - [ 0.0000844000000000, 0.0000000000000000, -0.0003314000000000 ] - [ -0.0004914600000000, 0.0000000000000000, 0.0013033700000000 ] - [ -0.0085314600000000, 0.0000000000000000, -0.0179632400000000 ] - [ -0.0017838000000000, 0.0000000000000000, -0.0046124200000000 ] - [ 0.0038723400000000, 0.0000000000000000, 0.0005220200000000 ] - [ -0.0006907500000000, 0.0000000000000000, 0.0015766500000000 ] - [ -0.0000717600000000, 0.0000000000000000, 0.0011928700000000 ] - [ 0.0000339200000000, 0.0000000000000000, 0.0014844200000000 ] - [ -0.0000055100000000, 0.0000000000000000, 0.0012337600000000 ] - [ 0.0000685800000000, 0.0000000000000000, 0.0013609200000000 ] - [ -0.0031936100000000, 0.0000000000000000, 0.0023144700000000 ] - [ 0.0005989800000000, 0.0000000000000000, 0.0011001600000000 ] - [ -0.0010060000000000, 0.0000000000000000, -0.0031776500000000 ] - [ 0.0020888100000000, 0.0000000000000000, -0.0069065800000000 ] - [ -0.0022180500000000, 0.0000000000000000, 0.0012194100000000 ] - [ 0.0001843700000000, 0.0000000000000000, -0.0006473000000000 ] - [ -0.0002607800000000, -0.0003429900000000, 0.0012148600000000 ] - [ -0.0001708900000000, 0.0000000000000000, 0.0017951900000000 ] - [ -0.0002607800000000, 0.0003429900000000, 0.0012148600000000 ] - [ 0.0000538300000000, -0.0000035600000000, 0.0018537600000000 ] - [ -0.0001719300000000, 0.0000000000000000, 0.0018154700000000 ] - [ -0.0001378600000000, 0.0000000000000000, 0.0019236300000000 ] - [ -0.0000319700000000, -0.0000116000000000, 0.0018052000000000 ] - [ -0.0002961700000000, 0.0000000000000000, 0.0031734900000000 ] - [ -0.0005796800000000, 0.0000000000000000, 0.0020590800000000 ] - [ 0.0002778900000000, -0.0000586000000000, 0.0017439200000000 ] - [ -0.0000731400000000, 0.0000916000000000, 0.0019040800000000 ] - [ -0.0001258700000000, 0.0000000000000000, 0.0019625000000000 ] - [ -0.0021848600000000, 0.0028046000000000, 0.0010352800000000 ] - [ -0.0006592700000000, 0.0000000000000000, -0.0071780500000000 ] - [ -0.0021848600000000, -0.0028046000000000, 0.0010352800000000 ] - [ 0.0062262100000000, 0.0138856500000000, -0.0247265400000000 ] - [ 0.0009304400000000, -0.0003189100000000, -0.0041217100000000 ] - [ -0.0069391900000000, 0.0000000000000000, -0.0858537300000000 ] - [ 0.0019635300000000, 0.0000000000000000, 0.0000885600000000 ] - [ -0.0004764700000000, 0.0000000000000000, 0.0078377800000000 ] - [ 0.0003217700000000, -0.0002479600000000, 0.0027411200000000 ] - [ -0.0002663400000000, 0.0000000000000000, 0.0021964200000000 ] - [ 0.0003217700000000, 0.0002479600000000, 0.0027411200000000 ] - [ -0.0000319700000000, 0.0000116000000000, 0.0018052000000000 ] - [ 0.0000746500000000, 0.0000000000000000, 0.0027269800000000 ] - [ -0.0000703100000000, 0.0000000000000000, 0.0020163100000000 ] - [ 0.0000538300000000, 0.0000035600000000, 0.0018537600000000 ] - [ 0.0002727400000000, 0.0000000000000000, 0.0010776800000000 ] - [ 0.0001197200000000, 0.0000000000000000, 0.0018693900000000 ] - [ -0.0000731400000000, -0.0000916000000000, 0.0019040800000000 ] - [ 0.0002778900000000, 0.0000586000000000, 0.0017439200000000 ] - [ -0.0001116300000000, 0.0000000000000000, 0.0019972100000000 ] - [ 0.0050978000000000, 0.0005907300000000, 0.0016013700000000 ] - [ 0.0023659400000000, 0.0000000000000000, -0.0056442200000000 ] - [ 0.0050978000000000, -0.0005907300000000, 0.0016013700000000 ] - [ 0.0009304400000000, 0.0003189100000000, -0.0041217100000000 ] - [ 0.0062262100000000, -0.0138856500000000, -0.0247265400000000 ] - [ 0.0009035700000000, 0.0000000000000000, -0.0041725100000000 ] - [ -0.0003845400000000, 0.0002849300000000, -0.0001617700000000 ] - [ -0.0000665900000000, 0.0000000000000000, -0.0010581100000000 ] - [ 0.0004918100000000, 0.0003547600000000, -0.0020911500000000 ] - [ 0.0008517800000000, 0.0000000000000000, -0.0003882400000000 ] - [ 0.0002051700000000, 0.0000000000000000, -0.0015187100000000 ] - [ -0.0001743300000000, 0.0000903200000000, -0.0010105400000000 ] - [ 0.0010339700000000, 0.0000000000000000, -0.0014185600000000 ] - [ 0.0000986100000000, -0.0001108400000000, -0.0010852400000000 ] - [ -0.0000711500000000, 0.0000000000000000, -0.0014930600000000 ] - [ -0.0001743300000000, -0.0000903200000000, -0.0010105400000000 ] - [ 0.0000826300000000, 0.0000000000000000, -0.0011433300000000 ] - [ 0.0000986100000000, 0.0001108400000000, -0.0010852400000000 ] - [ 0.0001958300000000, 0.0000000000000000, -0.0011786800000000 ] - [ -0.0001362800000000, 0.0000389200000000, -0.0011355900000000 ] - [ 0.0000980300000000, 0.0000000000000000, -0.0016643000000000 ] - [ -0.0001394200000000, -0.0000166000000000, -0.0011135900000000 ] - [ 0.0001909700000000, 0.0000000000000000, -0.0017419200000000 ] - [ -0.0001671400000000, -0.0000596500000000, -0.0012400700000000 ] - [ 0.0002399700000000, 0.0000000000000000, -0.0011445200000000 ] - [ -0.0001437000000000, 0.0000151200000000, -0.0011081000000000 ] - [ 0.0000885300000000, 0.0000000000000000, -0.0010037500000000 ] - [ 0.0005986600000000, -0.0003245200000000, -0.0014338200000000 ] - [ 0.0000392800000000, 0.0000000000000000, -0.0016895300000000 ] - [ 0.0000636000000000, -0.0001226100000000, -0.0009414100000000 ] - [ 0.0013344900000000, 0.0000000000000000, 0.0027189300000000 ] - [ -0.0005345800000000, -0.0000481700000000, -0.0004020600000000 ] - [ 0.0004579200000000, 0.0000000000000000, -0.0002484000000000 ] - [ 0.0000636000000000, 0.0001226100000000, -0.0009414100000000 ] - [ 0.0091247500000000, 0.0000000000000000, -0.0057483200000000 ] - [ -0.0005068300000000, -0.0005815700000000, 0.0047366400000000 ] - [ 0.0010653100000000, 0.0000000000000000, -0.0015726800000000 ] - [ -0.0045559000000000, -0.0061194900000000, -0.0059361900000000 ] - [ -0.0022613700000000, 0.0000000000000000, 0.0018959100000000 ] - [ -0.0005068300000000, 0.0005815700000000, 0.0047366400000000 ] - [ -0.0005804100000000, 0.0000000000000000, 0.0025690400000000 ] - [ 0.0010717300000000, -0.0007065700000000, 0.0017668300000000 ] - [ 0.0102461500000000, 0.0000000000000000, -0.0078225300000000 ] - [ 0.0030890900000000, 0.0000000000000000, 0.1770611500000000 ] - [ -0.0053123900000000, -0.0085440200000000, -0.0105410700000000 ] - [ -0.0053123900000000, 0.0085440200000000, -0.0105410700000000 ] - [ 0.0004918100000000, -0.0003547600000000, -0.0020911500000000 ] - [ -0.0000062900000000, 0.0000000000000000, -0.0017490500000000 ] - [ -0.0003845400000000, -0.0002849300000000, -0.0001617700000000 ] - [ -0.0012725300000000, 0.0000000000000000, -0.0020141100000000 ] - [ 0.0001166000000000, 0.0000000000000000, -0.0009870100000000 ] - [ -0.0002427000000000, 0.0001219600000000, -0.0011539200000000 ] - [ -0.0007788800000000, 0.0000000000000000, -0.0026742600000000 ] - [ -0.0005204700000000, -0.0001519800000000, -0.0012809200000000 ] - [ -0.0000983700000000, 0.0000000000000000, -0.0015629700000000 ] - [ -0.0002427000000000, -0.0001219600000000, -0.0011539200000000 ] - [ 0.0002355200000000, 0.0000000000000000, -0.0011745700000000 ] - [ -0.0005204700000000, 0.0001519800000000, -0.0012809200000000 ] - [ 0.0001766400000000, 0.0000000000000000, -0.0012254900000000 ] - [ -0.0001671400000000, 0.0000596500000000, -0.0012400700000000 ] - [ -0.0000002000000000, 0.0000000000000000, -0.0016664000000000 ] - [ -0.0001437000000000, -0.0000151200000000, -0.0011081000000000 ] - [ 0.0000457300000000, 0.0000000000000000, -0.0012129800000000 ] - [ -0.0001362800000000, -0.0000389200000000, -0.0011355900000000 ] - [ 0.0001252400000000, 0.0000000000000000, -0.0011356900000000 ] - [ -0.0001394200000000, 0.0000166000000000, -0.0011135900000000 ] - [ 0.0002974700000000, 0.0000000000000000, -0.0013706100000000 ] - [ -0.0005345800000000, 0.0000481700000000, -0.0004020600000000 ] - [ -0.0000573000000000, 0.0000000000000000, -0.0017327100000000 ] - [ -0.0003650200000000, -0.0002299100000000, -0.0011922600000000 ] - [ -0.0016733600000000, 0.0000000000000000, 0.0024264900000000 ] - [ 0.0005986600000000, 0.0003245200000000, -0.0014338200000000 ] - [ -0.0007090500000000, 0.0000000000000000, -0.0015783300000000 ] - [ -0.0003650200000000, 0.0002299100000000, -0.0011922600000000 ] - [ -0.0028048000000000, 0.0000000000000000, 0.0021420400000000 ] - [ 0.0005544700000000, -0.0009264500000000, 0.0060350600000000 ] - [ -0.0010398800000000, 0.0000000000000000, -0.0034913700000000 ] - [ 0.0010717300000000, 0.0007065700000000, 0.0017668300000000 ] - [ 0.0019215800000000, 0.0000000000000000, 0.0019617300000000 ] - [ 0.0005544700000000, 0.0009264500000000, 0.0060350600000000 ] - [ -0.0005243200000000, 0.0000000000000000, 0.0082894800000000 ] - [ -0.0045559000000000, 0.0061194900000000, -0.0059361900000000 ] - [ -0.0020530000000000, 0.0000000000000000, 0.0019749100000000 ] - [ -0.0004313200000000, 0.0000000000000000, 0.0036134000000000 ] - [ 0.0008780400000000, 0.0004361100000000, 0.0016069000000000 ] - [ 0.0008780400000000, -0.0004361100000000, 0.0016069000000000 ]- atom: 99 displacement: [ 0.0099999834550252, 0.0000000000000000, 0.0000181906355607 ] forces: - [ -0.0052241800000000, 0.0005130100000000, 0.0012983100000000 ] - [ -0.0004915300000000, -0.0000000700000000, -0.0008976300000000 ] - [ -0.0001312500000000, -0.0000039300000000, -0.0001022500000000 ] - [ -0.0003465700000000, -0.0000554200000000, 0.0001216500000000 ] - [ -0.0000263300000000, 0.0000002900000000, -0.0000729800000000 ] - [ 0.0000219800000000, -0.0000001600000000, -0.0000795700000000 ] - [ -0.0003930500000000, 0.0000625800000000, 0.0001724600000000 ] - [ 0.0000741300000000, 0.0000025300000000, -0.0000737900000000 ] - [ 0.0088013900000000, 0.0033023000000000, 0.0029606800000000 ] - [ -0.0003405300000000, 0.0009275400000000, 0.0015438400000000 ] - [ 0.0150050000000000, 0.0082207700000000, 0.0042922200000000 ] - [ -0.0007153600000000, -0.0007440300000000, 0.0012090900000000 ] - [ -0.0000079000000000, -0.0000011900000000, -0.0000670400000000 ] - [ 0.0002334700000000, 0.0000325300000000, -0.0002551800000000 ] - [ 0.0000136500000000, 0.0000001400000000, -0.0001160100000000 ] - [ 0.0000438800000000, 0.0000003400000000, -0.0001117800000000 ] - [ 0.0005681400000000, -0.0000413000000000, -0.0003230600000000 ] - [ -0.0000849900000000, 0.0000036600000000, -0.0001567400000000 ] - [ -0.0039028400000000, -0.0001807100000000, -0.0007956000000000 ] - [ -0.0004069200000000, -0.0000559000000000, -0.0012021100000000 ] - [ -0.0019508800000000, 0.0020463300000000, 0.0056241800000000 ] - [ -0.0040178600000000, 0.0000170100000000, -0.0014319100000000 ] - [ -0.0014244500000000, -0.0001228400000000, 0.0000671000000000 ] - [ -0.0003502800000000, 0.0000225400000000, -0.0001625600000000 ] - [ -0.0016690600000000, 0.0001303300000000, -0.0000452400000000 ] - [ 0.0000499500000000, 0.0001152800000000, -0.0002248800000000 ] - [ -0.0000223700000000, -0.0000013500000000, 0.0000109000000000 ] - [ -0.0000583300000000, 0.0000003300000000, -0.0000852000000000 ] - [ -0.0001029400000000, -0.0000871200000000, -0.0000595000000000 ] - [ 0.0002860600000000, -0.0000028400000000, -0.0003121500000000 ] - [ -0.0000726600000000, 0.0001602500000000, 0.0004997000000000 ] - [ -0.0000187300000000, -0.0000357700000000, -0.0001360800000000 ] - [ 0.0000551800000000, 0.0000386700000000, -0.0001349900000000 ] - [ -0.0000989000000000, -0.0000000600000000, -0.0001063400000000 ] - [ 0.0003680200000000, -0.0001857800000000, 0.0002450600000000 ] - [ 0.0046008100000000, -0.0026820900000000, 0.0030385900000000 ] - [ 0.0004801000000000, 0.0001850900000000, 0.0004278400000000 ] - [ 0.0039839200000000, -0.0015597100000000, -0.0029671100000000 ] - [ -0.0030089700000000, 0.0003005900000000, 0.0032817200000000 ] - [ 0.0009897200000000, 0.0005172200000000, -0.0025591000000000 ] - [ -0.0031343700000000, 0.0018460800000000, -0.0050496300000000 ] - [ 0.0216709600000000, 0.0169077000000000, -0.0126399500000000 ] - [ 0.0037633400000000, -0.0000618200000000, -0.0009951900000000 ] - [ 0.0000079500000000, 0.0000149200000000, 0.0001078000000000 ] - [ 0.0028095000000000, 0.0000874100000000, -0.0007731900000000 ] - [ -0.0000949800000000, 0.0000874300000000, -0.0000479700000000 ] - [ 0.0000296800000000, 0.0000027600000000, -0.0002555400000000 ] - [ -0.0000248200000000, 0.0000001800000000, -0.0001236300000000 ] - [ 0.0000478800000000, -0.0001147700000000, -0.0002194700000000 ] - [ -0.0001561000000000, -0.0000145000000000, -0.0000827900000000 ] - [ -0.0004822600000000, -0.0000989100000000, -0.0005783600000000 ] - [ 0.0000540800000000, -0.0000386700000000, -0.0001356900000000 ] - [ -0.0000188000000000, 0.0000359000000000, -0.0001358500000000 ] - [ -0.0000225600000000, 0.0000005500000000, -0.0000945600000000 ] - [ -0.0002516800000000, 0.0000475200000000, -0.0004954000000000 ] - [ -0.0031237100000000, 0.0000693200000000, -0.0008576300000000 ] - [ -0.0003340400000000, -0.0000414100000000, -0.0005552000000000 ] - [ -0.0068051100000000, -0.0002094200000000, 0.0028633200000000 ] - [ 0.0416720700000000, -0.0006507900000000, 0.0204794200000000 ] - [ -0.0010991700000000, -0.0002089200000000, 0.0009478000000000 ] - [ 0.0011936200000000, -0.0001719100000000, 0.0011599100000000 ] - [ 0.0003645400000000, 0.0000022100000000, 0.0004545400000000 ] - [ -0.0016124900000000, -0.0002239800000000, -0.0018467200000000 ] - [ 0.0020659200000000, -0.0000294200000000, -0.0007197000000000 ] - [ -0.0009613300000000, -0.0002258000000000, -0.0000674200000000 ] - [ 0.0000650000000000, -0.0000352800000000, 0.0000922200000000 ] - [ 0.0014781800000000, 0.0000301100000000, -0.0010393100000000 ] - [ 0.0003321100000000, -0.0000182700000000, -0.0005424200000000 ] - [ -0.0001309800000000, 0.0000016500000000, 0.0001683100000000 ] - [ 0.0000540500000000, 0.0000361500000000, 0.0001174800000000 ] - [ -0.0000462700000000, -0.0000138400000000, 0.0002274400000000 ] - [ 0.0001043000000000, 0.0000331600000000, -0.0002756300000000 ] - [ -0.0000112600000000, -0.0000013600000000, 0.0000249200000000 ] - [ 0.0000093800000000, -0.0000699700000000, -0.0000019500000000 ] - [ -0.0000501300000000, -0.0000063700000000, -0.0000955700000000 ] - [ -0.0000020500000000, 0.0001132100000000, 0.0000661800000000 ] - [ 0.0000230000000000, 0.0000014300000000, 0.0001333100000000 ] - [ -0.0000090800000000, 0.0000696800000000, 0.0000185800000000 ] - [ -0.0000327600000000, 0.0000000200000000, 0.0001032900000000 ] - [ 0.0000421200000000, -0.0001274000000000, 0.0001242000000000 ] - [ -0.0000494000000000, -0.0000003400000000, 0.0000774800000000 ] - [ -0.0002417700000000, 0.0000545900000000, -0.0000131100000000 ] - [ -0.0000865900000000, 0.0000000300000000, 0.0000292300000000 ] - [ 0.0000211200000000, -0.0000006000000000, 0.0001349700000000 ] - [ -0.0005818600000000, 0.0001819900000000, -0.0006531900000000 ] - [ 0.0001686600000000, 0.0000207700000000, 0.0000648700000000 ] - [ 0.0000132300000000, 0.0000158600000000, -0.0000786900000000 ] - [ 0.0000216900000000, 0.0000000000000000, 0.0001357800000000 ] - [ -0.0010656600000000, -0.0002120600000000, -0.0000481900000000 ] - [ 0.0028063600000000, 0.0003359700000000, -0.0071817100000000 ] - [ -0.0000231500000000, -0.0000180300000000, -0.0000687400000000 ] - [ 0.0003518300000000, 0.0002421500000000, 0.0010342900000000 ] - [ 0.0089766300000000, -0.0055709700000000, -0.0007863500000000 ] - [ -0.0013461600000000, -0.0004911500000000, -0.0016840200000000 ] - [ 0.0024549900000000, -0.0002205700000000, -0.0012604000000000 ] - [ 0.0002321600000000, -0.0000212600000000, -0.0004954500000000 ] - [ 0.0106145600000000, 0.0094499200000000, -0.0006451900000000 ] - [ -0.0033550000000000, 0.0034450300000000, 0.0058777400000000 ] - [ -0.1031194000000000, -0.0309390400000000, -0.0167813800000000 ] - [ -0.0074231200000000, 0.0012950000000000, -0.0003852900000000 ] - [ 0.0000396400000000, -0.0004301900000000, -0.0062002700000000 ] - [ -0.0009182000000000, 0.0002880300000000, -0.0001985900000000 ] - [ 0.0013788300000000, 0.0000911800000000, 0.0011929700000000 ] - [ -0.0023975100000000, -0.0019479000000000, 0.0035458300000000 ] - [ 0.0004711500000000, 0.0000122000000000, 0.0000463400000000 ] - [ -0.0001973300000000, 0.0000114200000000, 0.0000976900000000 ] - [ -0.0014849200000000, 0.0017043600000000, 0.0037903400000000 ] - [ 0.0001523300000000, 0.0001184400000000, 0.0008671800000000 ] - [ -0.0001852400000000, 0.0000019700000000, 0.0001994900000000 ] - [ -0.0001754400000000, -0.0000072000000000, 0.0001055100000000 ] - [ -0.0000645300000000, 0.0000072500000000, -0.0000233800000000 ] - [ -0.0000363300000000, -0.0000841700000000, 0.0005835900000000 ] - [ -0.0000830400000000, -0.0000012500000000, 0.0000702100000000 ] - [ -0.0000093200000000, -0.0000696000000000, 0.0000191400000000 ] - [ -0.0000013000000000, 0.0000136600000000, 0.0002689200000000 ] - [ 0.0000452500000000, 0.0001279500000000, 0.0001259900000000 ] - [ 0.0000932100000000, 0.0000003600000000, 0.0001004000000000 ] - [ 0.0000093400000000, 0.0000699600000000, -0.0000026500000000 ] - [ -0.0000308900000000, -0.0000000800000000, 0.0001088800000000 ] - [ -0.0000015900000000, -0.0001133600000000, 0.0000660600000000 ] - [ -0.0001533600000000, -0.0000016300000000, 0.0001212900000000 ] - [ 0.0001937900000000, -0.0000216900000000, 0.0000424900000000 ] - [ -0.0000805400000000, 0.0000001700000000, 0.0000359600000000 ] - [ 0.0000785500000000, 0.0000213800000000, 0.0002274500000000 ] - [ 0.0006601300000000, -0.0000263300000000, 0.0004020200000000 ] - [ -0.0002133800000000, -0.0000494000000000, 0.0000027600000000 ] - [ 0.0000010500000000, -0.0000211900000000, 0.0003233000000000 ] - [ 0.0000750900000000, -0.0000203200000000, 0.0002258200000000 ] - [ 0.0007789900000000, 0.0000386900000000, 0.0002084300000000 ] - [ 0.0018293400000000, -0.0000010700000000, 0.0017479000000000 ] - [ 0.0000679400000000, 0.0000296300000000, 0.0004065700000000 ] - [ 0.0004468000000000, 0.0000148100000000, -0.0009024300000000 ] - [ 0.0067066500000000, -0.0062363500000000, -0.0011235100000000 ] - [ 0.0018619500000000, -0.0000801200000000, 0.0014739900000000 ] - [ -0.0033286800000000, -0.0027981200000000, 0.0034785400000000 ] - [ 0.0001625800000000, -0.0001980800000000, 0.0007399800000000 ] - [ 0.0078114300000000, 0.0038890400000000, -0.0004966900000000 ] - [ 0.0017122800000000, 0.0002132900000000, -0.0010890300000000 ] - [ 0.0048411300000000, 0.0004452600000000, 0.0002874500000000 ] - [ 0.0034828400000000, -0.0004219800000000, 0.0000769500000000 ]- atom: 99 displacement: [ -0.0099999834550252, 0.0000000000000000, -0.0000181906355607 ] forces: - [ 0.0052799400000000, -0.0005131200000000, -0.0014435600000000 ] - [ 0.0003238400000000, 0.0000024500000000, 0.0008678300000000 ] - [ 0.0000126900000000, 0.0000045500000000, 0.0000843100000000 ] - [ 0.0001486500000000, 0.0000563100000000, -0.0000339200000000 ] - [ 0.0000113000000000, -0.0000003000000000, 0.0000422900000000 ] - [ 0.0000484100000000, 0.0000004300000000, 0.0000725800000000 ] - [ 0.0004368900000000, -0.0000626700000000, -0.0001357200000000 ] - [ -0.0000714700000000, -0.0000023100000000, 0.0000133700000000 ] - [ -0.0089699700000000, -0.0030860700000000, -0.0028435800000000 ] - [ 0.0005809000000000, -0.0009268600000000, -0.0015887600000000 ] - [ -0.0150647700000000, -0.0086998200000000, -0.0046449500000000 ] - [ 0.0005649400000000, 0.0007478700000000, -0.0012433100000000 ] - [ -0.0001087200000000, 0.0000018100000000, 0.0000485700000000 ] - [ -0.0004316400000000, -0.0000316800000000, 0.0003398300000000 ] - [ -0.0000278400000000, 0.0000003800000000, 0.0000861300000000 ] - [ 0.0000259200000000, 0.0000002300000000, 0.0001037700000000 ] - [ -0.0005264700000000, 0.0000416400000000, 0.0003627400000000 ] - [ 0.0000881800000000, -0.0000032600000000, 0.0000959400000000 ] - [ 0.0038493600000000, 0.0001755000000000, 0.0007076900000000 ] - [ 0.0006612300000000, 0.0000569300000000, 0.0011580600000000 ] - [ 0.0020901500000000, -0.0020457500000000, -0.0056202300000000 ] - [ 0.0041851000000000, -0.0000182200000000, 0.0014360600000000 ] - [ 0.0014623300000000, -0.0001743700000000, -0.0000869700000000 ] - [ 0.0000367100000000, -0.0000228100000000, 0.0002893600000000 ] - [ 0.0017089600000000, 0.0001668400000000, 0.0000302900000000 ] - [ -0.0001204600000000, 0.0000648700000000, 0.0002039500000000 ] - [ 0.0000227600000000, 0.0000015000000000, 0.0000313900000000 ] - [ -0.0000325600000000, -0.0000003900000000, 0.0001370400000000 ] - [ 0.0000330900000000, -0.0000926900000000, 0.0000393400000000 ] - [ -0.0001831000000000, 0.0000027700000000, 0.0001871100000000 ] - [ -0.0002637200000000, -0.0001605100000000, -0.0004906500000000 ] - [ 0.0000636600000000, -0.0000465900000000, 0.0001130100000000 ] - [ -0.0000104900000000, 0.0000437400000000, 0.0001118600000000 ] - [ -0.0000272100000000, 0.0000003300000000, 0.0001680100000000 ] - [ -0.0000984500000000, 0.0001584200000000, -0.0002813800000000 ] - [ -0.0047016800000000, 0.0026817300000000, -0.0030491400000000 ] - [ -0.0002106200000000, -0.0001576800000000, -0.0004662200000000 ] - [ -0.0038593100000000, 0.0015768400000000, 0.0028647700000000 ] - [ 0.0030548500000000, -0.0003285000000000, -0.0033874500000000 ] - [ -0.0008984400000000, -0.0005176800000000, 0.0025520600000000 ] - [ 0.0032481700000000, -0.0018668700000000, 0.0050558500000000 ] - [ -0.0214934500000000, -0.0165652100000000, 0.0123418700000000 ] - [ -0.0037225000000000, -0.0002363300000000, 0.0009486900000000 ] - [ -0.0003191100000000, -0.0000150500000000, 0.0000149300000000 ] - [ -0.0027625900000000, 0.0002117600000000, 0.0007379600000000 ] - [ 0.0000249700000000, 0.0000925100000000, 0.0000279200000000 ] - [ -0.0000287400000000, -0.0000026700000000, 0.0002988700000000 ] - [ -0.0000657400000000, -0.0000002100000000, 0.0001752500000000 ] - [ -0.0001183900000000, -0.0000652700000000, 0.0001984300000000 ] - [ 0.0002594700000000, 0.0000144500000000, -0.0000436000000000 ] - [ 0.0001364100000000, 0.0000986700000000, 0.0005863400000000 ] - [ -0.0000093900000000, -0.0000436600000000, 0.0001129200000000 ] - [ 0.0000637500000000, 0.0000466200000000, 0.0001124300000000 ] - [ -0.0001020300000000, -0.0000004300000000, 0.0001556900000000 ] - [ 0.0005267800000000, -0.0000750500000000, 0.0004593200000000 ] - [ 0.0030458700000000, -0.0000663500000000, 0.0008348100000000 ] - [ 0.0006094100000000, 0.0000689500000000, 0.0005173500000000 ] - [ 0.0068782600000000, 0.0002367100000000, -0.0029746300000000 ] - [ -0.0396981500000000, 0.0005260500000000, -0.0189742200000000 ] - [ 0.0011942100000000, 0.0002092900000000, -0.0009761400000000 ] - [ -0.0012397200000000, 0.0004419300000000, -0.0011790100000000 ] - [ -0.0005635100000000, -0.0000024800000000, -0.0001710800000000 ] - [ 0.0015449300000000, -0.0000546100000000, 0.0018385900000000 ] - [ -0.0021257500000000, 0.0000307400000000, 0.0006908500000000 ] - [ 0.0008075400000000, 0.0002256600000000, -0.0000069500000000 ] - [ -0.0001901500000000, 0.0000142600000000, -0.0000021300000000 ] - [ -0.0013332900000000, -0.0000312700000000, 0.0007907300000000 ] - [ -0.0004498800000000, 0.0000170000000000, 0.0005180000000000 ] - [ -0.0001726600000000, -0.0000016400000000, -0.0000106800000000 ] - [ -0.0001793300000000, -0.0000149400000000, -0.0000302100000000 ] - [ -0.0000450500000000, 0.0000138800000000, -0.0002056600000000 ] - [ -0.0002212900000000, -0.0000319500000000, 0.0002486600000000 ] - [ -0.0000485700000000, 0.0000013100000000, -0.0000863500000000 ] - [ -0.0000279000000000, -0.0000552200000000, -0.0001315700000000 ] - [ 0.0000055700000000, 0.0000064600000000, -0.0000038300000000 ] - [ 0.0000181000000000, 0.0001077900000000, -0.0000311100000000 ] - [ 0.0001031400000000, -0.0000014700000000, -0.0001072000000000 ] - [ -0.0000094700000000, 0.0000556800000000, -0.0001543800000000 ] - [ -0.0000044100000000, 0.0000001000000000, -0.0000502500000000 ] - [ -0.0000254100000000, -0.0000935300000000, -0.0000912200000000 ] - [ -0.0001171400000000, 0.0000003600000000, -0.0000391400000000 ] - [ 0.0001889300000000, -0.0000302700000000, -0.0000542900000000 ] - [ -0.0000707100000000, 0.0000000500000000, -0.0001857700000000 ] - [ 0.0000513400000000, -0.0000002300000000, 0.0000714100000000 ] - [ 0.0008433000000000, -0.0001822400000000, 0.0005912800000000 ] - [ -0.0002223900000000, -0.0000449400000000, -0.0001332700000000 ] - [ 0.0000071600000000, -0.0000157700000000, 0.0001600800000000 ] - [ 0.0000506800000000, 0.0000009200000000, 0.0000683800000000 ] - [ 0.0011547300000000, 0.0002122100000000, 0.0000690700000000 ] - [ -0.0027658100000000, -0.0002996800000000, 0.0072223600000000 ] - [ 0.0000761900000000, 0.0000181500000000, 0.0001088400000000 ] - [ -0.0001337400000000, -0.0001314200000000, -0.0010804400000000 ] - [ -0.0090912900000000, 0.0056392100000000, 0.0010439600000000 ] - [ 0.0013971400000000, 0.0004569000000000, 0.0016876200000000 ] - [ -0.0021347500000000, 0.0002189900000000, 0.0011882600000000 ] - [ -0.0000100400000000, -0.0000908300000000, 0.0004532700000000 ] - [ -0.0104758300000000, -0.0092723300000000, 0.0008519600000000 ] - [ 0.0033425200000000, -0.0034345000000000, -0.0059038700000000 ] - [ 0.1014562000000000, 0.0309654400000000, 0.0155229800000000 ] - [ 0.0075066300000000, -0.0013940400000000, 0.0004298500000000 ] - [ -0.0001152100000000, 0.0007068700000000, 0.0061691500000000 ] - [ 0.0007159800000000, -0.0002883000000000, 0.0004876400000000 ] - [ -0.0014289400000000, -0.0003613200000000, -0.0012136000000000 ] - [ 0.0023798700000000, 0.0019462200000000, -0.0035463200000000 ] - [ -0.0006199000000000, -0.0000120700000000, -0.0001265700000000 ] - [ 0.0000723100000000, -0.0000323700000000, -0.0000061800000000 ] - [ 0.0016511900000000, -0.0017014000000000, -0.0040109300000000 ] - [ -0.0002630000000000, -0.0001186200000000, -0.0008863700000000 ] - [ -0.0001180800000000, -0.0000020200000000, -0.0000413400000000 ] - [ 0.0000503700000000, 0.0000282300000000, -0.0000166900000000 ] - [ -0.0000284800000000, -0.0000072100000000, 0.0000446800000000 ] - [ -0.0000740000000000, 0.0000845200000000, -0.0006052700000000 ] - [ 0.0000232100000000, 0.0000012300000000, -0.0001313300000000 ] - [ -0.0000091100000000, -0.0000556800000000, -0.0001528800000000 ] - [ -0.0000421400000000, -0.0000135500000000, -0.0003674700000000 ] - [ -0.0000284800000000, 0.0000931400000000, -0.0000908700000000 ] - [ 0.0000325500000000, -0.0000003700000000, -0.0000739800000000 ] - [ -0.0000278700000000, 0.0000552500000000, -0.0001329400000000 ] - [ -0.0000064200000000, 0.0000001500000000, -0.0000557900000000 ] - [ 0.0000178100000000, -0.0001074000000000, -0.0000333800000000 ] - [ -0.0000130400000000, 0.0000016100000000, -0.0000831200000000 ] - [ -0.0002474700000000, 0.0000458600000000, -0.0001088900000000 ] - [ -0.0000767700000000, -0.0000000800000000, -0.0001923400000000 ] - [ -0.0000059100000000, -0.0000223200000000, -0.0000213200000000 ] - [ -0.0004024700000000, 0.0000261300000000, -0.0004610100000000 ] - [ 0.0001603700000000, 0.0000251500000000, -0.0000720400000000 ] - [ 0.0000180500000000, 0.0000213600000000, -0.0002428000000000 ] - [ -0.0000027500000000, 0.0000215500000000, -0.0000217300000000 ] - [ -0.0006951700000000, -0.0000384800000000, -0.0001849200000000 ] - [ -0.0017963200000000, 0.0000346700000000, -0.0017329100000000 ] - [ -0.0000159400000000, -0.0000296700000000, -0.0003681700000000 ] - [ -0.0002249500000000, 0.0000974400000000, 0.0008631300000000 ] - [ -0.0066700500000000, 0.0061400700000000, 0.0013537500000000 ] - [ -0.0018559800000000, 0.0000478300000000, -0.0014841600000000 ] - [ 0.0036247200000000, 0.0027840800000000, -0.0035566900000000 ] - [ 0.0000555900000000, 0.0000874800000000, -0.0007877200000000 ] - [ -0.0078767300000000, -0.0039293300000000, 0.0007231000000000 ] - [ -0.0016737200000000, -0.0002124300000000, 0.0010828100000000 ] - [ -0.0047443000000000, -0.0003923100000000, -0.0002314500000000 ] - [ -0.0033849300000000, 0.0003706400000000, -0.0000223300000000 ]- atom: 99 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017683200000000, 0.0001174300000000, 0.0007031300000000 ] - [ -0.0008428300000000, 0.0000404900000000, -0.0005408700000000 ] - [ -0.0000750300000000, -0.0000005100000000, -0.0000160300000000 ] - [ -0.0001267900000000, -0.0000126200000000, 0.0000617300000000 ] - [ -0.0000075800000000, 0.0000001700000000, -0.0000157000000000 ] - [ 0.0000328500000000, 0.0000001000000000, -0.0000080700000000 ] - [ -0.0000147300000000, 0.0000184200000000, 0.0000574600000000 ] - [ 0.0000257300000000, 0.0000015400000000, -0.0000193900000000 ] - [ 0.0000795800000000, 0.0100300400000000, 0.0013466300000000 ] - [ 0.0001423800000000, 0.0002806800000000, 0.0002420800000000 ] - [ 0.0107729600000000, 0.0248379200000000, 0.0091554800000000 ] - [ -0.0001471800000000, -0.0000524400000000, 0.0002070200000000 ] - [ -0.0000608000000000, 0.0000004600000000, -0.0000174100000000 ] - [ -0.0001398000000000, 0.0000014900000000, -0.0000274200000000 ] - [ -0.0000017500000000, 0.0000003400000000, -0.0000244000000000 ] - [ 0.0000360600000000, 0.0000002300000000, -0.0000126500000000 ] - [ 0.0002423600000000, 0.0000004200000000, 0.0000616700000000 ] - [ -0.0000130600000000, 0.0000023700000000, -0.0000335200000000 ] - [ 0.0006803400000000, 0.0001041700000000, 0.0007824800000000 ] - [ 0.0011392200000000, 0.0000913800000000, 0.0007122500000000 ] - [ 0.0025529200000000, -0.0011100400000000, -0.0039526700000000 ] - [ -0.0009233100000000, 0.0000591600000000, -0.0009365900000000 ] - [ -0.0000612000000000, -0.0003121700000000, -0.0000224700000000 ] - [ -0.0001729400000000, 0.0000044200000000, 0.0000379400000000 ] - [ -0.0000965300000000, 0.0003149300000000, -0.0000388500000000 ] - [ -0.0000216500000000, 0.0001063700000000, -0.0000285900000000 ] - [ -0.0000053900000000, -0.0000006100000000, 0.0000151600000000 ] - [ -0.0000468000000000, -0.0000000200000000, 0.0000224100000000 ] - [ -0.0000406200000000, -0.0001075700000000, -0.0000075500000000 ] - [ 0.0000753100000000, -0.0000034500000000, -0.0001116500000000 ] - [ -0.0000651100000000, 0.0000318400000000, 0.0000909200000000 ] - [ 0.0000125300000000, -0.0000448800000000, -0.0000196300000000 ] - [ 0.0000284400000000, 0.0000437900000000, -0.0000203100000000 ] - [ -0.0000660600000000, 0.0000000200000000, 0.0000231500000000 ] - [ 0.0001662800000000, -0.0002672200000000, 0.0000174700000000 ] - [ -0.0021500200000000, -0.0014375600000000, 0.0032679800000000 ] - [ 0.0002014800000000, 0.0002687500000000, 0.0000666700000000 ] - [ -0.0011406800000000, -0.0078339700000000, -0.0015778400000000 ] - [ 0.0000649600000000, -0.0018324000000000, 0.0001271300000000 ] - [ 0.0002232000000000, 0.0002004700000000, -0.0021101100000000 ] - [ 0.0019301500000000, 0.0002029600000000, 0.0006004200000000 ] - [ 0.0154879500000000, 0.0324470100000000, -0.0211579600000000 ] - [ 0.0002253200000000, 0.0021469400000000, -0.0007328200000000 ] - [ -0.0001098200000000, -0.0000007300000000, 0.0001793300000000 ] - [ 0.0002499800000000, -0.0022228600000000, 0.0001600300000000 ] - [ -0.0000388800000000, 0.0001079300000000, -0.0000052000000000 ] - [ 0.0000039800000000, -0.0000002700000000, -0.0000304500000000 ] - [ -0.0000430700000000, -0.0000002200000000, 0.0000149800000000 ] - [ -0.0000212500000000, -0.0001063700000000, -0.0000265700000000 ] - [ 0.0000023600000000, -0.0000054900000000, -0.0000455900000000 ] - [ -0.0000996500000000, -0.0000153900000000, 0.0002084200000000 ] - [ 0.0000280900000000, -0.0000443200000000, -0.0000205600000000 ] - [ 0.0000128600000000, 0.0000453000000000, -0.0000194200000000 ] - [ -0.0000561000000000, -0.0000000500000000, 0.0000232500000000 ] - [ -0.0000166500000000, -0.0000460800000000, -0.0000752300000000 ] - [ -0.0005379000000000, 0.0000282300000000, -0.0002937300000000 ] - [ -0.0000170900000000, 0.0000524200000000, -0.0000832400000000 ] - [ -0.0010368700000000, 0.0018901100000000, 0.0000208900000000 ] - [ 0.0020964400000000, 0.0107379800000000, 0.0010652300000000 ] - [ -0.0000782800000000, -0.0000576700000000, 0.0002315100000000 ] - [ -0.0000551000000000, 0.0007509700000000, 0.0001477200000000 ] - [ -0.0000863700000000, 0.0000010900000000, 0.0002003100000000 ] - [ 0.0001350400000000, 0.0009889400000000, -0.0005415100000000 ] - [ -0.0002885600000000, -0.0000391600000000, 0.0003796400000000 ] - [ -0.0004974300000000, -0.0000311600000000, 0.0002277000000000 ] - [ -0.0000474300000000, -0.0000147400000000, 0.0000415400000000 ] - [ 0.0003398900000000, -0.0000167800000000, -0.0005153600000000 ] - [ 0.0000062100000000, -0.0000278900000000, -0.0000942000000000 ] - [ -0.0001458700000000, 0.0000003600000000, 0.0000780300000000 ] - [ -0.0000495600000000, 0.0000150000000000, 0.0000457300000000 ] - [ -0.0000527300000000, -0.0000018300000000, 0.0000096900000000 ] - [ -0.0000331700000000, 0.0000450600000000, -0.0000533900000000 ] - [ -0.0000315800000000, -0.0000003300000000, -0.0000254100000000 ] - [ -0.0000079100000000, -0.0000604900000000, -0.0000642600000000 ] - [ -0.0000465400000000, -0.0000009600000000, -0.0000239900000000 ] - [ 0.0000075400000000, 0.0001145000000000, 0.0000198700000000 ] - [ 0.0000578500000000, 0.0000002500000000, 0.0000184300000000 ] - [ -0.0000102700000000, 0.0000611400000000, -0.0000609300000000 ] - [ -0.0000180600000000, 0.0000000700000000, 0.0000306000000000 ] - [ 0.0000124500000000, -0.0001158800000000, 0.0000257900000000 ] - [ -0.0000821100000000, -0.0000003200000000, 0.0000234000000000 ] - [ -0.0000747000000000, 0.0000519400000000, -0.0000441600000000 ] - [ -0.0000808500000000, 0.0000000000000000, -0.0000695500000000 ] - [ 0.0000324300000000, 0.0000036100000000, 0.0001010300000000 ] - [ 0.0002620800000000, 0.0000198200000000, -0.0006051000000000 ] - [ 0.0000011700000000, -0.0000107500000000, -0.0000349900000000 ] - [ 0.0000510400000000, 0.0000050700000000, -0.0000325500000000 ] - [ 0.0000324300000000, -0.0000038000000000, 0.0001009000000000 ] - [ -0.0004896300000000, -0.0000690900000000, 0.0003252600000000 ] - [ 0.0007907400000000, -0.0020256200000000, -0.0008816800000000 ] - [ -0.0000139600000000, -0.0000046500000000, 0.0000455700000000 ] - [ 0.0002389000000000, 0.0007450200000000, 0.0001342500000000 ] - [ -0.0045163600000000, 0.0009810200000000, 0.0005743100000000 ] - [ -0.0003969800000000, 0.0010637300000000, 0.0005069400000000 ] - [ 0.0002335400000000, -0.0001203400000000, 0.0001657700000000 ] - [ 0.0000882800000000, -0.0000001400000000, -0.0000715800000000 ] - [ 0.0091550900000000, 0.0021345200000000, 0.0012942800000000 ] - [ 0.0024318000000000, 0.0017521000000000, 0.0082546400000000 ] - [ -0.0305444400000000, -0.1098521600000000, 0.0077594400000000 ] - [ -0.0012916400000000, 0.0281615900000000, 0.0010828700000000 ] - [ 0.0003705800000000, -0.0036333300000000, -0.0006913600000000 ] - [ 0.0001353400000000, -0.0000331900000000, -0.0001400700000000 ] - [ -0.0000224900000000, -0.0007277200000000, 0.0001379700000000 ] - [ -0.0025854000000000, 0.0009443000000000, -0.0048961300000000 ] - [ 0.0000127400000000, 0.0000049900000000, -0.0000680300000000 ] - [ -0.0000787900000000, 0.0000060100000000, 0.0000461000000000 ] - [ 0.0010669300000000, 0.0016575300000000, 0.0047588200000000 ] - [ 0.0000362400000000, 0.0005527000000000, 0.0001570900000000 ] - [ -0.0001540500000000, 0.0000002400000000, 0.0000847300000000 ] - [ -0.0000762900000000, -0.0000083300000000, 0.0000437300000000 ] - [ -0.0000205500000000, 0.0000020400000000, -0.0000257400000000 ] - [ 0.0000038300000000, -0.0004275200000000, 0.0000950200000000 ] - [ -0.0000379300000000, -0.0000001800000000, -0.0000208600000000 ] - [ -0.0000102400000000, -0.0000610700000000, -0.0000601500000000 ] - [ -0.0000096600000000, 0.0000055600000000, 0.0000133200000000 ] - [ 0.0000132800000000, 0.0001163100000000, 0.0000271800000000 ] - [ 0.0000729100000000, 0.0000003300000000, 0.0000058000000000 ] - [ -0.0000079100000000, 0.0000604900000000, -0.0000651000000000 ] - [ -0.0000161500000000, 0.0000000800000000, 0.0000319700000000 ] - [ 0.0000076600000000, -0.0001144200000000, 0.0000188500000000 ] - [ -0.0000987900000000, -0.0000004300000000, 0.0000329400000000 ] - [ 0.0000065100000000, 0.0000109700000000, -0.0000423800000000 ] - [ -0.0000786200000000, 0.0000002900000000, -0.0000669400000000 ] - [ 0.0000462400000000, 0.0000084500000000, 0.0001188400000000 ] - [ 0.0001933100000000, -0.0000017100000000, -0.0000596100000000 ] - [ -0.0000722900000000, -0.0000528600000000, -0.0000389600000000 ] - [ 0.0000147100000000, 0.0000050000000000, 0.0000576800000000 ] - [ 0.0000458100000000, -0.0000077300000000, 0.0001188400000000 ] - [ 0.0001872300000000, 0.0000054500000000, -0.0000540100000000 ] - [ 0.0000043100000000, 0.0009958900000000, 0.0000301600000000 ] - [ 0.0000615700000000, 0.0000019900000000, 0.0001351200000000 ] - [ 0.0001480600000000, 0.0000006500000000, -0.0001824000000000 ] - [ -0.0054613700000000, 0.0033670800000000, -0.0000769400000000 ] - [ -0.0000232700000000, -0.0007920500000000, 0.0000128300000000 ] - [ -0.0017088800000000, 0.0034605000000000, -0.0049586900000000 ] - [ 0.0002154700000000, -0.0005612400000000, 0.0001409700000000 ] - [ 0.0051288200000000, 0.0017501000000000, -0.0001670600000000 ] - [ 0.0002985600000000, 0.0000465300000000, -0.0004624500000000 ] - [ 0.0004643700000000, 0.0011774300000000, 0.0000255500000000 ] - [ 0.0004430000000000, -0.0009602300000000, 0.0000379400000000 ]- atom: 99 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0018468100000000, -0.0001287200000000, -0.0008588500000000 ] - [ 0.0006893200000000, -0.0000391500000000, 0.0005114700000000 ] - [ -0.0000432700000000, 0.0000009500000000, -0.0000013700000000 ] - [ -0.0000706200000000, 0.0000138300000000, 0.0000247800000000 ] - [ -0.0000071400000000, -0.0000003400000000, -0.0000144400000000 ] - [ 0.0000378300000000, 0.0000000000000000, 0.0000021400000000 ] - [ 0.0000591400000000, -0.0000181900000000, -0.0000187800000000 ] - [ -0.0000227400000000, -0.0000018700000000, -0.0000403900000000 ] - [ -0.0004670000000000, -0.0095012600000000, -0.0009807500000000 ] - [ 0.0001011300000000, -0.0002737200000000, -0.0002859400000000 ] - [ -0.0117440100000000, -0.0264633100000000, -0.0100844100000000 ] - [ -0.0000074200000000, 0.0000626300000000, -0.0002416000000000 ] - [ -0.0000568700000000, -0.0000000100000000, -0.0000000700000000 ] - [ -0.0000594300000000, -0.0000006600000000, 0.0001151700000000 ] - [ -0.0000120700000000, -0.0000000200000000, -0.0000049600000000 ] - [ 0.0000341800000000, 0.0000001300000000, 0.0000059300000000 ] - [ -0.0001992800000000, -0.0000003500000000, -0.0000225700000000 ] - [ 0.0000163400000000, -0.0000020600000000, -0.0000263500000000 ] - [ -0.0007244300000000, -0.0001041300000000, -0.0008590100000000 ] - [ -0.0008933300000000, -0.0000903200000000, -0.0007533900000000 ] - [ -0.0024578700000000, 0.0010906300000000, 0.0039334700000000 ] - [ 0.0010934100000000, -0.0000578100000000, 0.0009319500000000 ] - [ 0.0000988500000000, 0.0000126700000000, -0.0000040100000000 ] - [ -0.0001376900000000, -0.0000050800000000, 0.0000873400000000 ] - [ 0.0001365000000000, -0.0000157500000000, 0.0000171700000000 ] - [ -0.0000477400000000, 0.0000741800000000, 0.0000098400000000 ] - [ 0.0000041400000000, 0.0000004600000000, 0.0000270000000000 ] - [ -0.0000422700000000, -0.0000003800000000, 0.0000321700000000 ] - [ -0.0000286000000000, -0.0000734300000000, -0.0000118900000000 ] - [ 0.0000295300000000, 0.0000030200000000, -0.0000115200000000 ] - [ -0.0002776500000000, -0.0000338300000000, -0.0000831400000000 ] - [ 0.0000326400000000, -0.0000377100000000, -0.0000023800000000 ] - [ 0.0000167900000000, 0.0000383800000000, -0.0000022800000000 ] - [ -0.0000613100000000, 0.0000001400000000, 0.0000388700000000 ] - [ 0.0001042700000000, 0.0002389800000000, -0.0000527500000000 ] - [ 0.0020737100000000, 0.0014229900000000, -0.0033168800000000 ] - [ 0.0000700400000000, -0.0002409400000000, -0.0001022200000000 ] - [ 0.0011196600000000, 0.0078846900000000, 0.0014446400000000 ] - [ -0.0000035100000000, 0.0018113700000000, -0.0002168600000000 ] - [ -0.0001290100000000, -0.0002035700000000, 0.0020979600000000 ] - [ -0.0018025900000000, -0.0002001100000000, -0.0006336700000000 ] - [ -0.0145137100000000, -0.0312835000000000, 0.0198638400000000 ] - [ -0.0002075100000000, -0.0024497500000000, 0.0007005600000000 ] - [ -0.0002019500000000, 0.0000003500000000, -0.0000552000000000 ] - [ -0.0002178900000000, 0.0025247600000000, -0.0001736800000000 ] - [ -0.0000305600000000, 0.0000727400000000, -0.0000142000000000 ] - [ -0.0000049800000000, 0.0000002600000000, 0.0000730300000000 ] - [ -0.0000452800000000, -0.0000000400000000, 0.0000398200000000 ] - [ -0.0000482000000000, -0.0000744900000000, 0.0000076600000000 ] - [ 0.0001027900000000, 0.0000049700000000, -0.0000782900000000 ] - [ -0.0002410700000000, 0.0000146300000000, -0.0001969300000000 ] - [ 0.0000170800000000, -0.0000382200000000, -0.0000017400000000 ] - [ 0.0000323200000000, 0.0000369600000000, -0.0000029600000000 ] - [ -0.0000703500000000, 0.0000000200000000, 0.0000384800000000 ] - [ 0.0002885200000000, 0.0000172200000000, 0.0000405000000000 ] - [ 0.0004633200000000, -0.0000294400000000, 0.0002810600000000 ] - [ 0.0002900300000000, -0.0000240400000000, 0.0000474000000000 ] - [ 0.0010796400000000, -0.0018709100000000, -0.0001159000000000 ] - [ -0.0022400100000000, -0.0107539500000000, -0.0012806300000000 ] - [ 0.0001704600000000, 0.0000559100000000, -0.0002580100000000 ] - [ 0.0000021400000000, -0.0004844300000000, -0.0001574800000000 ] - [ -0.0001163000000000, -0.0000011700000000, 0.0000840700000000 ] - [ -0.0001852900000000, -0.0012788600000000, 0.0005404800000000 ] - [ 0.0002245700000000, 0.0000398900000000, -0.0003987200000000 ] - [ 0.0003491200000000, 0.0000326200000000, -0.0003036100000000 ] - [ -0.0000787900000000, -0.0000048200000000, 0.0000482300000000 ] - [ -0.0001937900000000, 0.0000156200000000, 0.0002768100000000 ] - [ -0.0001202400000000, 0.0000265700000000, 0.0000737300000000 ] - [ -0.0001565400000000, -0.0000006000000000, 0.0000814000000000 ] - [ -0.0000767100000000, 0.0000039500000000, 0.0000408800000000 ] - [ -0.0000372500000000, 0.0000015700000000, 0.0000101200000000 ] - [ -0.0000777800000000, -0.0000445500000000, 0.0000278000000000 ] - [ -0.0000296700000000, 0.0000000800000000, -0.0000370600000000 ] - [ -0.0000124300000000, -0.0000601000000000, -0.0000713100000000 ] - [ 0.0000018800000000, 0.0000008700000000, -0.0000758300000000 ] - [ 0.0000096900000000, 0.0001085300000000, 0.0000149100000000 ] - [ 0.0000698900000000, -0.0000006200000000, 0.0000104600000000 ] - [ -0.0000100600000000, 0.0000593100000000, -0.0000772900000000 ] - [ -0.0000146400000000, -0.0000002200000000, 0.0000215100000000 ] - [ 0.0000047700000000, -0.0001070300000000, 0.0000069300000000 ] - [ -0.0000889300000000, 0.0000000600000000, 0.0000133400000000 ] - [ 0.0000199000000000, -0.0000228700000000, -0.0000254700000000 ] - [ -0.0000779700000000, -0.0000001200000000, -0.0000913100000000 ] - [ 0.0000415800000000, 0.0000004500000000, 0.0001048400000000 ] - [ -0.0000001300000000, -0.0000192400000000, 0.0005461500000000 ] - [ -0.0000560200000000, -0.0000187200000000, -0.0000363100000000 ] - [ -0.0000262800000000, -0.0000050300000000, 0.0001128700000000 ] - [ 0.0000414900000000, -0.0000009800000000, 0.0001026900000000 ] - [ 0.0005710200000000, 0.0000681300000000, -0.0003056900000000 ] - [ -0.0007219800000000, 0.0020733500000000, 0.0008550600000000 ] - [ 0.0000646400000000, 0.0000043500000000, -0.0000123600000000 ] - [ -0.0000164000000000, -0.0006275700000000, -0.0001776000000000 ] - [ 0.0044655800000000, -0.0009933700000000, -0.0003183200000000 ] - [ 0.0004321000000000, -0.0011034600000000, -0.0004945800000000 ] - [ 0.0000885100000000, 0.0001184200000000, -0.0002426800000000 ] - [ 0.0001346400000000, -0.0001188400000000, 0.0000297700000000 ] - [ -0.0091088300000000, -0.0021877200000000, -0.0010444500000000 ] - [ -0.0023810500000000, -0.0018040300000000, -0.0082493500000000 ] - [ 0.0314075200000000, 0.1097367300000000, -0.0059935100000000 ] - [ 0.0014012000000000, -0.0280441100000000, -0.0009966500000000 ] - [ -0.0004330500000000, 0.0039090500000000, 0.0007174100000000 ] - [ -0.0003339300000000, 0.0000305100000000, 0.0004268500000000 ] - [ -0.0000306900000000, 0.0004598700000000, -0.0001495000000000 ] - [ 0.0025046300000000, -0.0009566600000000, 0.0048417300000000 ] - [ -0.0001664400000000, -0.0000054700000000, -0.0000079400000000 ] - [ -0.0000465700000000, -0.0000247700000000, 0.0000431900000000 ] - [ -0.0009246200000000, -0.0016454200000000, -0.0050248500000000 ] - [ -0.0001475100000000, -0.0005539200000000, -0.0001828700000000 ] - [ -0.0001478300000000, -0.0000005300000000, 0.0000748400000000 ] - [ -0.0000491700000000, 0.0000265300000000, 0.0000425700000000 ] - [ -0.0000691800000000, -0.0000023700000000, 0.0000463200000000 ] - [ -0.0001160600000000, 0.0004285500000000, -0.0001244000000000 ] - [ -0.0000230600000000, -0.0000001400000000, -0.0000414400000000 ] - [ -0.0000099300000000, -0.0000596700000000, -0.0000760500000000 ] - [ -0.0000351600000000, -0.0000056100000000, -0.0001145100000000 ] - [ 0.0000041000000000, 0.0001061400000000, 0.0000077600000000 ] - [ 0.0000548000000000, -0.0000004500000000, 0.0000233000000000 ] - [ -0.0000122500000000, 0.0000594200000000, -0.0000727400000000 ] - [ -0.0000163500000000, -0.0000002300000000, 0.0000202400000000 ] - [ 0.0000094300000000, -0.0001089800000000, 0.0000135500000000 ] - [ -0.0000721500000000, 0.0000002000000000, 0.0000037000000000 ] - [ -0.0000612400000000, 0.0000180300000000, -0.0000270500000000 ] - [ -0.0000797500000000, -0.0000001500000000, -0.0000936400000000 ] - [ 0.0000278900000000, -0.0000050800000000, 0.0000872800000000 ] - [ 0.0000677900000000, 0.0000015600000000, -0.0000009600000000 ] - [ 0.0000173500000000, 0.0000234200000000, -0.0000322300000000 ] - [ 0.0000099700000000, -0.0000050000000000, 0.0000221500000000 ] - [ 0.0000283400000000, 0.0000041700000000, 0.0000852500000000 ] - [ -0.0001071300000000, -0.0000058300000000, 0.0000741600000000 ] - [ 0.0000308100000000, -0.0009606700000000, -0.0000305200000000 ] - [ -0.0000105800000000, -0.0000023900000000, -0.0001018300000000 ] - [ 0.0000767900000000, 0.0001180200000000, 0.0001398600000000 ] - [ 0.0054651700000000, -0.0033343700000000, 0.0003497900000000 ] - [ 0.0000594000000000, 0.0007575800000000, -0.0000129500000000 ] - [ 0.0020671600000000, -0.0034310800000000, 0.0049086900000000 ] - [ 0.0000085800000000, 0.0004430500000000, -0.0001837800000000 ] - [ -0.0051867600000000, -0.0017417200000000, 0.0003901800000000 ] - [ -0.0002635600000000, -0.0000453100000000, 0.0004469000000000 ] - [ -0.0003735700000000, -0.0011267300000000, 0.0000347900000000 ] - [ -0.0003498800000000, 0.0009085600000000, 0.0000201300000000 ]- atom: 99 displacement: [ 0.0014286670756727, 0.0000000000000000, 0.0098974193801662 ] forces: - [ -0.0008372100000000, 0.0002799800000000, 0.0020672100000000 ] - [ -0.0022177200000000, 0.0001352300000000, -0.0005060400000000 ] - [ -0.0001818900000000, 0.0000106100000000, -0.0008265100000000 ] - [ 0.0000064800000000, 0.0001169300000000, -0.0007090200000000 ] - [ -0.0000028400000000, -0.0000007200000000, -0.0008820900000000 ] - [ 0.0000167500000000, 0.0000011200000000, -0.0010076400000000 ] - [ 0.0000222100000000, -0.0000650300000000, -0.0005558100000000 ] - [ 0.0000572600000000, -0.0000074500000000, -0.0010860600000000 ] - [ 0.0023564900000000, 0.0002126100000000, 0.0119559600000000 ] - [ 0.0012774900000000, -0.0008836100000000, -0.0005089400000000 ] - [ 0.0060431900000000, 0.0094093400000000, 0.0164430700000000 ] - [ 0.0014388500000000, 0.0015020100000000, -0.0008734000000000 ] - [ 0.0000324800000000, 0.0000105000000000, -0.0009615600000000 ] - [ -0.0001517000000000, 0.0000922900000000, -0.0013527800000000 ] - [ -0.0000227300000000, -0.0000012500000000, -0.0009129100000000 ] - [ -0.0000147200000000, 0.0000020200000000, -0.0010347100000000 ] - [ 0.0002516200000000, -0.0001140800000000, -0.0012745000000000 ] - [ -0.0001411900000000, -0.0000078700000000, -0.0010001800000000 ] - [ -0.0010767300000000, 0.0000198100000000, 0.0018958000000000 ] - [ -0.0022573500000000, -0.0003039000000000, -0.0010118500000000 ] - [ 0.0052612100000000, -0.0037152100000000, 0.0051808500000000 ] - [ -0.0008001000000000, -0.0000738200000000, 0.0034405600000000 ] - [ -0.0000999700000000, -0.0000432500000000, 0.0003870200000000 ] - [ -0.0003542000000000, -0.0000135800000000, -0.0008939800000000 ] - [ 0.0001941900000000, 0.0000501200000000, 0.0004325900000000 ] - [ -0.0001616800000000, 0.0001815000000000, -0.0015129500000000 ] - [ 0.0000884800000000, 0.0000032200000000, -0.0013910300000000 ] - [ 0.0000031500000000, 0.0000001600000000, -0.0013970100000000 ] - [ 0.0000438600000000, -0.0001380700000000, -0.0013078600000000 ] - [ 0.0001059300000000, 0.0000224100000000, -0.0017179500000000 ] - [ 0.0008180100000000, -0.0003464300000000, -0.0014975500000000 ] - [ -0.0000347200000000, 0.0000180500000000, -0.0013701500000000 ] - [ 0.0000072900000000, -0.0000262000000000, -0.0014187300000000 ] - [ -0.0000668800000000, -0.0000046100000000, -0.0014053800000000 ] - [ 0.0007664600000000, -0.0000539600000000, -0.0013763200000000 ] - [ 0.0040157700000000, 0.0026716200000000, -0.0030696000000000 ] - [ 0.0006339000000000, 0.0000598000000000, -0.0015472500000000 ] - [ -0.0019263300000000, -0.0006973600000000, 0.0076360600000000 ] - [ 0.0002860200000000, 0.0001062800000000, 0.0041381700000000 ] - [ 0.0002112300000000, 0.0008756500000000, -0.0051544800000000 ] - [ -0.0056601900000000, 0.0013288900000000, 0.0027903100000000 ] - [ -0.0059618900000000, -0.0143693300000000, 0.0277569800000000 ] - [ -0.0001590400000000, -0.0002209800000000, -0.0059029100000000 ] - [ 0.0001198400000000, -0.0000373000000000, -0.0018506300000000 ] - [ 0.0023934800000000, 0.0004007400000000, -0.0026156500000000 ] - [ 0.0000258500000000, 0.0001378400000000, -0.0013305900000000 ] - [ 0.0000029100000000, 0.0000086400000000, -0.0015350600000000 ] - [ -0.0000063100000000, -0.0000003600000000, -0.0014719400000000 ] - [ -0.0001400300000000, -0.0001822800000000, -0.0014873500000000 ] - [ 0.0001240500000000, 0.0000182200000000, -0.0013700800000000 ] - [ -0.0013582800000000, -0.0001954700000000, -0.0015566600000000 ] - [ 0.0000087500000000, 0.0000263400000000, -0.0014169400000000 ] - [ -0.0000374400000000, -0.0000177300000000, -0.0013724100000000 ] - [ 0.0000251000000000, -0.0000029800000000, -0.0014582800000000 ] - [ -0.0006661600000000, 0.0000107300000000, -0.0012408200000000 ] - [ -0.0015854900000000, 0.0000698400000000, 0.0004491600000000 ] - [ -0.0008950500000000, 0.0000062300000000, -0.0013729100000000 ] - [ 0.0017455800000000, -0.0000843300000000, 0.0051164700000000 ] - [ 0.0230709000000000, -0.0008313200000000, 0.0282280500000000 ] - [ 0.0002623800000000, 0.0002023700000000, 0.0003247600000000 ] - [ 0.0012147400000000, -0.0002081600000000, -0.0011364800000000 ] - [ 0.0001686600000000, 0.0000334300000000, 0.0004024000000000 ] - [ -0.0017733700000000, -0.0003442200000000, -0.0015975600000000 ] - [ -0.0006216600000000, 0.0002523800000000, -0.0013790500000000 ] - [ -0.0008392000000000, 0.0002607200000000, 0.0015120100000000 ] - [ -0.0000079300000000, -0.0000655100000000, 0.0007278600000000 ] - [ -0.0003479700000000, -0.0002911000000000, -0.0013746300000000 ] - [ -0.0009893000000000, -0.0000182600000000, 0.0007468500000000 ] - [ -0.0002168800000000, -0.0000023200000000, 0.0012307900000000 ] - [ 0.0000223500000000, 0.0000642100000000, 0.0006770200000000 ] - [ 0.0000343800000000, -0.0000283800000000, 0.0009348500000000 ] - [ -0.0004912600000000, -0.0000163600000000, 0.0001957700000000 ] - [ -0.0001978800000000, 0.0000020500000000, 0.0008049100000000 ] - [ 0.0000887200000000, -0.0001461400000000, 0.0007595200000000 ] - [ -0.0002215800000000, 0.0000146000000000, 0.0011076600000000 ] - [ 0.0000772900000000, 0.0001996600000000, 0.0008682300000000 ] - [ 0.0000119400000000, -0.0000009700000000, 0.0012790000000000 ] - [ 0.0001144200000000, 0.0001559800000000, 0.0007994100000000 ] - [ -0.0001746200000000, -0.0000007200000000, 0.0009077100000000 ] - [ 0.0001669400000000, -0.0002127200000000, 0.0008709000000000 ] - [ -0.0002389000000000, 0.0000014200000000, 0.0008580900000000 ] - [ -0.0000011300000000, -0.0000723800000000, 0.0009621100000000 ] - [ -0.0001338800000000, 0.0000008500000000, 0.0011296100000000 ] - [ 0.0001103600000000, 0.0000879300000000, 0.0009450400000000 ] - [ -0.0004354700000000, -0.0000707600000000, 0.0014279100000000 ] - [ 0.0001231900000000, 0.0000538400000000, 0.0006398400000000 ] - [ -0.0003086400000000, -0.0000156900000000, 0.0008669700000000 ] - [ 0.0001109700000000, -0.0000871600000000, 0.0009388200000000 ] - [ -0.0010760100000000, 0.0000503700000000, 0.0013951600000000 ] - [ -0.0067768800000000, 0.0002048500000000, 0.0033196300000000 ] - [ -0.0001973200000000, 0.0000203600000000, 0.0011384700000000 ] - [ 0.0013010100000000, 0.0005815900000000, 0.0021448300000000 ] - [ 0.0016876200000000, -0.0009524200000000, -0.0051161500000000 ] - [ -0.0020661500000000, -0.0000564400000000, -0.0016123200000000 ] - [ 0.0001071200000000, 0.0003438500000000, -0.0014570700000000 ] - [ -0.0002092500000000, -0.0000041700000000, 0.0000942000000000 ] - [ 0.0012677200000000, 0.0026647600000000, -0.0079083700000000 ] - [ 0.0039859800000000, 0.0094837700000000, 0.0107692600000000 ] - [ -0.0311981000000000, 0.0020346600000000, -0.0945577700000000 ] - [ -0.0014103700000000, -0.0008795800000000, -0.0089342900000000 ] - [ -0.0066941900000000, 0.0015251600000000, 0.0060418600000000 ] - [ -0.0006347400000000, -0.0003615400000000, 0.0019439700000000 ] - [ 0.0013000200000000, 0.0001357500000000, -0.0009728600000000 ] - [ 0.0039288400000000, -0.0045513500000000, 0.0063649500000000 ] - [ 0.0002748300000000, -0.0000249700000000, 0.0000478800000000 ] - [ 0.0000516800000000, -0.0001253300000000, 0.0011043900000000 ] - [ 0.0020018800000000, 0.0036137200000000, 0.0050158700000000 ] - [ 0.0011085600000000, 0.0001832900000000, 0.0018723400000000 ] - [ -0.0001887300000000, -0.0000032900000000, 0.0013526300000000 ] - [ 0.0000504000000000, 0.0001133900000000, 0.0010464100000000 ] - [ -0.0004046500000000, -0.0000159500000000, 0.0008875500000000 ] - [ 0.0008109700000000, -0.0001488200000000, 0.0013249700000000 ] - [ -0.0001899000000000, 0.0000026600000000, 0.0008983300000000 ] - [ 0.0001139800000000, -0.0001562600000000, 0.0008022800000000 ] - [ 0.0000883600000000, 0.0000259300000000, 0.0012856300000000 ] - [ 0.0001671300000000, 0.0002138100000000, 0.0008807100000000 ] - [ 0.0000131700000000, -0.0000013700000000, 0.0011595600000000 ] - [ 0.0000888500000000, 0.0001458500000000, 0.0007571400000000 ] - [ -0.0001746600000000, -0.0000008200000000, 0.0009101600000000 ] - [ 0.0000785200000000, -0.0001991500000000, 0.0008611900000000 ] - [ -0.0002583600000000, 0.0000004900000000, 0.0009431000000000 ] - [ 0.0001058000000000, -0.0000545300000000, 0.0006678400000000 ] - [ -0.0001300000000000, 0.0000010500000000, 0.0011358600000000 ] - [ 0.0001947500000000, 0.0001086100000000, 0.0009777300000000 ] - [ 0.0005310300000000, -0.0000236800000000, 0.0003198100000000 ] - [ 0.0000212200000000, 0.0000700200000000, 0.0009230700000000 ] - [ 0.0000630500000000, -0.0000465600000000, 0.0010133300000000 ] - [ 0.0001918800000000, -0.0001055500000000, 0.0009675100000000 ] - [ 0.0005987300000000, 0.0000344800000000, 0.0002170600000000 ] - [ 0.0019671500000000, 0.0000210700000000, -0.0009286000000000 ] - [ 0.0001785300000000, 0.0000657500000000, 0.0014520500000000 ] - [ -0.0004252200000000, 0.0000073400000000, 0.0004654400000000 ] - [ 0.0017812100000000, -0.0022769800000000, -0.0065685000000000 ] - [ 0.0016747300000000, -0.0000804400000000, -0.0006533100000000 ] - [ 0.0020951200000000, -0.0067234800000000, 0.0053199400000000 ] - [ 0.0008835100000000, -0.0003989300000000, 0.0014285200000000 ] - [ 0.0016640800000000, 0.0006922100000000, -0.0040060100000000 ] - [ -0.0000688400000000, -0.0002415100000000, -0.0016984300000000 ] - [ 0.0009921000000000, 0.0000812900000000, -0.0017570300000000 ] - [ 0.0005902000000000, -0.0000918100000000, -0.0018820400000000 ]- atom: 99 displacement: [ -0.0014286670756727, 0.0000000000000000, -0.0098974193801662 ] forces: - [ 0.0009227700000000, -0.0002905400000000, -0.0022421600000000 ] - [ 0.0020684900000000, -0.0001349200000000, 0.0004745200000000 ] - [ 0.0000643000000000, -0.0000098700000000, 0.0008083300000000 ] - [ -0.0002058700000000, -0.0001163500000000, 0.0007953200000000 ] - [ -0.0000120400000000, 0.0000006300000000, 0.0008523300000000 ] - [ 0.0000537400000000, -0.0000008700000000, 0.0010026700000000 ] - [ 0.0000220000000000, 0.0000648600000000, 0.0005963300000000 ] - [ -0.0000536900000000, 0.0000078200000000, 0.0010267500000000 ] - [ -0.0025988300000000, 0.0000905700000000, -0.0117901100000000 ] - [ -0.0010310600000000, 0.0008822000000000, 0.0004708300000000 ] - [ -0.0061485900000000, -0.0097257800000000, -0.0166153200000000 ] - [ -0.0016009300000000, -0.0015059300000000, 0.0008382300000000 ] - [ -0.0001496800000000, -0.0000097500000000, 0.0009442500000000 ] - [ -0.0000481400000000, -0.0000917600000000, 0.0014420500000000 ] - [ 0.0000090000000000, 0.0000020600000000, 0.0008842200000000 ] - [ 0.0000846900000000, -0.0000012700000000, 0.0010285600000000 ] - [ -0.0002068600000000, 0.0001137900000000, 0.0013115500000000 ] - [ 0.0001432800000000, 0.0000085700000000, 0.0009409900000000 ] - [ 0.0010312000000000, -0.0000191500000000, -0.0019575100000000 ] - [ 0.0024905900000000, 0.0003009900000000, 0.0009726600000000 ] - [ -0.0051565300000000, 0.0037280000000000, -0.0052581000000000 ] - [ 0.0009641000000000, 0.0000765500000000, -0.0034777800000000 ] - [ 0.0001390300000000, -0.0002554400000000, -0.0004217800000000 ] - [ 0.0000424000000000, 0.0000134500000000, 0.0010192200000000 ] - [ -0.0001559400000000, 0.0002486600000000, -0.0004627900000000 ] - [ 0.0000909900000000, -0.0000024600000000, 0.0014941300000000 ] - [ -0.0000871200000000, -0.0000029800000000, 0.0014357600000000 ] - [ -0.0000945100000000, -0.0000001100000000, 0.0014498300000000 ] - [ -0.0001149700000000, -0.0000409800000000, 0.0012877700000000 ] - [ -0.0000031400000000, -0.0000224500000000, 0.0015920600000000 ] - [ -0.0011592900000000, 0.0003481100000000, 0.0015079700000000 ] - [ 0.0000792600000000, -0.0001009200000000, 0.0013484800000000 ] - [ 0.0000375200000000, 0.0001090500000000, 0.0013968300000000 ] - [ -0.0000578100000000, 0.0000047800000000, 0.0014690300000000 ] - [ -0.0004919200000000, 0.0000255200000000, 0.0013420600000000 ] - [ -0.0040713300000000, -0.0026585600000000, 0.0030495900000000 ] - [ -0.0003597600000000, -0.0000312700000000, 0.0015110300000000 ] - [ 0.0019723800000000, 0.0007244100000000, -0.0076421100000000 ] - [ -0.0002382700000000, -0.0001334000000000, -0.0042021800000000 ] - [ -0.0001146300000000, -0.0008669300000000, 0.0051186600000000 ] - [ 0.0058071200000000, -0.0013421600000000, -0.0028538500000000 ] - [ 0.0066286700000000, 0.0151883500000000, -0.0282321700000000 ] - [ 0.0001901100000000, -0.0000786500000000, 0.0059110700000000 ] - [ -0.0004343000000000, 0.0000372500000000, 0.0019794300000000 ] - [ -0.0023742900000000, -0.0001023500000000, 0.0025948900000000 ] - [ -0.0000969800000000, 0.0000413900000000, 0.0013107300000000 ] - [ -0.0000017900000000, -0.0000085700000000, 0.0015795700000000 ] - [ -0.0000854300000000, 0.0000003200000000, 0.0015248300000000 ] - [ 0.0000694200000000, 0.0000033700000000, 0.0014683100000000 ] - [ -0.0000209700000000, -0.0000182500000000, 0.0012461000000000 ] - [ 0.0010271100000000, 0.0001967000000000, 0.0015693900000000 ] - [ 0.0000360700000000, -0.0001090100000000, 0.0013954200000000 ] - [ 0.0000820300000000, 0.0001007600000000, 0.0013504200000000 ] - [ -0.0001492000000000, 0.0000031500000000, 0.0015219900000000 ] - [ 0.0009341000000000, -0.0000386900000000, 0.0012079500000000 ] - [ 0.0015019100000000, -0.0000678400000000, -0.0004509700000000 ] - [ 0.0011615300000000, 0.0000219900000000, 0.0013373500000000 ] - [ -0.0017049000000000, 0.0001116800000000, -0.0051761800000000 ] - [ -0.0214976000000000, 0.0007270900000000, -0.0274981200000000 ] - [ -0.0001663100000000, -0.0002016500000000, -0.0003383400000000 ] - [ -0.0012702500000000, 0.0004855000000000, 0.0011331000000000 ] - [ -0.0003659500000000, -0.0000335900000000, -0.0001085600000000 ] - [ 0.0017257900000000, 0.0000576300000000, 0.0016111600000000 ] - [ 0.0005682800000000, -0.0002540000000000, 0.0013647900000000 ] - [ 0.0006858200000000, -0.0002619400000000, -0.0015915900000000 ] - [ -0.0001164300000000, 0.0000467700000000, -0.0006365200000000 ] - [ 0.0004922800000000, 0.0002930200000000, 0.0011415300000000 ] - [ 0.0008798900000000, 0.0000246000000000, -0.0007687900000000 ] - [ -0.0000840800000000, 0.0000024800000000, -0.0010714100000000 ] - [ -0.0001470600000000, -0.0000453000000000, -0.0005882000000000 ] - [ -0.0001248400000000, 0.0000286600000000, -0.0009124900000000 ] - [ 0.0003797700000000, 0.0000101300000000, -0.0002166200000000 ] - [ 0.0001341800000000, -0.0000021900000000, -0.0008677300000000 ] - [ -0.0001066000000000, 0.0000236300000000, -0.0008932700000000 ] - [ 0.0001759100000000, -0.0000146700000000, -0.0012113300000000 ] - [ -0.0000605400000000, 0.0000249400000000, -0.0008337200000000 ] - [ 0.0001168900000000, 0.0000009600000000, -0.0012510500000000 ] - [ -0.0001324800000000, -0.0000338900000000, -0.0009355500000000 ] - [ 0.0001397400000000, 0.0000008600000000, -0.0008534100000000 ] - [ -0.0001505500000000, -0.0000122400000000, -0.0008384900000000 ] - [ 0.0000699000000000, -0.0000013200000000, -0.0008227000000000 ] - [ -0.0000524100000000, 0.0001002000000000, -0.0010292600000000 ] - [ -0.0000261500000000, -0.0000008100000000, -0.0012904200000000 ] - [ -0.0000389200000000, -0.0000856200000000, -0.0007398900000000 ] - [ 0.0006949600000000, 0.0000713700000000, -0.0014878600000000 ] - [ -0.0001763700000000, -0.0000820000000000, -0.0007106200000000 ] - [ 0.0003312600000000, 0.0000159000000000, -0.0007854500000000 ] - [ -0.0000395500000000, 0.0000850400000000, -0.0007360100000000 ] - [ 0.0011518800000000, -0.0000514600000000, -0.0013732900000000 ] - [ 0.0067587400000000, -0.0001619500000000, -0.0032970400000000 ] - [ 0.0002461800000000, -0.0000202600000000, -0.0011027700000000 ] - [ -0.0010722300000000, -0.0004599400000000, -0.0021782100000000 ] - [ -0.0016808000000000, 0.0009361200000000, 0.0053776500000000 ] - [ 0.0020987700000000, 0.0000155100000000, 0.0016013100000000 ] - [ 0.0002178500000000, -0.0003418900000000, 0.0013728200000000 ] - [ 0.0004279000000000, -0.0001108400000000, -0.0001425200000000 ] - [ -0.0013298600000000, -0.0026763800000000, 0.0081033700000000 ] - [ -0.0039024800000000, -0.0093374000000000, -0.0106535800000000 ] - [ 0.0296427500000000, -0.0027458500000000, 0.0939543700000000 ] - [ 0.0014987500000000, 0.0007937700000000, 0.0089926900000000 ] - [ 0.0067144600000000, -0.0012585800000000, -0.0061099500000000 ] - [ 0.0004436500000000, 0.0003626500000000, -0.0016561900000000 ] - [ -0.0013564500000000, -0.0004124600000000, 0.0009659200000000 ] - [ -0.0040239600000000, 0.0046106000000000, -0.0064630500000000 ] - [ -0.0004355500000000, 0.0000249900000000, -0.0001214500000000 ] - [ -0.0001753500000000, 0.0001069100000000, -0.0010145500000000 ] - [ -0.0018754300000000, -0.0036568400000000, -0.0052979300000000 ] - [ -0.0012276600000000, -0.0001772500000000, -0.0019024600000000 ] - [ -0.0001118000000000, 0.0000033100000000, -0.0011934600000000 ] - [ -0.0001742600000000, -0.0000947900000000, -0.0009589400000000 ] - [ 0.0003159500000000, 0.0000162000000000, -0.0008647100000000 ] - [ -0.0009271700000000, 0.0001425900000000, -0.0013519700000000 ] - [ 0.0001270700000000, -0.0000026600000000, -0.0009620100000000 ] - [ -0.0001319900000000, 0.0000342700000000, -0.0009363600000000 ] - [ -0.0001356400000000, -0.0000260000000000, -0.0013907700000000 ] - [ -0.0001507900000000, 0.0000113600000000, -0.0008461600000000 ] - [ 0.0001155800000000, 0.0000013400000000, -0.0011319700000000 ] - [ -0.0001068300000000, -0.0000232200000000, -0.0008929000000000 ] - [ 0.0001404800000000, 0.0000008300000000, -0.0008560300000000 ] - [ -0.0000620600000000, -0.0000253300000000, -0.0008289600000000 ] - [ 0.0000882600000000, -0.0000005000000000, -0.0009069900000000 ] - [ -0.0001588800000000, 0.0000826200000000, -0.0007365400000000 ] - [ -0.0000295800000000, -0.0000008300000000, -0.0012960500000000 ] - [ -0.0001220800000000, -0.0001055400000000, -0.0007719900000000 ] - [ -0.0002667000000000, 0.0000231500000000, -0.0003850200000000 ] - [ -0.0000745800000000, -0.0000977400000000, -0.0009923100000000 ] - [ -0.0000390800000000, 0.0000462800000000, -0.0009310500000000 ] - [ -0.0001192100000000, 0.0001030100000000, -0.0007637500000000 ] - [ -0.0005120100000000, -0.0000339200000000, -0.0002027500000000 ] - [ -0.0019212500000000, 0.0000177000000000, 0.0009179100000000 ] - [ -0.0001273700000000, -0.0000650800000000, -0.0014156400000000 ] - [ 0.0006434000000000, 0.0001078100000000, -0.0005101300000000 ] - [ -0.0018406100000000, 0.0022815200000000, 0.0068075800000000 ] - [ -0.0016558700000000, 0.0000433000000000, 0.0006279500000000 ] - [ -0.0017461100000000, 0.0066369300000000, -0.0053333000000000 ] - [ -0.0006590200000000, 0.0002803100000000, -0.0014707400000000 ] - [ -0.0016568500000000, -0.0006839400000000, 0.0042336800000000 ] - [ 0.0001048700000000, 0.0002403100000000, 0.0016720300000000 ] - [ -0.0008964900000000, -0.0000292900000000, 0.0018169000000000 ] - [ -0.0004941400000000, 0.0000392100000000, 0.0019396400000000 ]