# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c3dd5d25-1d5c-4f17-a08f-958c2ffbe628/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 Li10Si2PbO10 / C2/m (12) / materials id 553950](https://mdr.nims.go.jp/datasets/0ceb6903-14a5-4821-bf4f-3c09e81d222e) ## 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: "C2/m" number: 12 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: - [ 14.866514145000000, -3.019494870000000, 0.028364915000000 ] # a - [ 14.866514145000000, 3.019494870000000, 0.028364915000000 ] # b - [ -0.852982750000000, 0.000000000000000, 5.043139190000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.351226340000000, 0.911675560000000, 0.037212070000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.563457610000000, 0.047328450000000, 0.206529500000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.911675560000000, 0.351226340000000, 0.037212070000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.270013480000000, 0.270013480000000, 0.864363580000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.651506340000000, 0.221091100000000, 0.770139320000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.729986520000000, 0.729986520000000, 0.135636420000000 ] mass: 6.941000 - symbol: Li # 7 coordinates: [ 0.648773660000000, 0.088324440000000, 0.962787930000000 ] mass: 6.941000 - symbol: Li # 8 coordinates: [ 0.132171360000000, 0.132171360000000, 0.485353820000000 ] mass: 6.941000 - symbol: Li # 9 coordinates: [ 0.047328450000000, 0.563457610000000, 0.206529500000000 ] mass: 6.941000 - symbol: Li # 10 coordinates: [ 0.867828640000000, 0.867828640000000, 0.514646180000000 ] mass: 6.941000 - symbol: Li # 11 coordinates: [ 0.324220790000000, 0.324220790000000, 0.572947420000000 ] mass: 6.941000 - symbol: Li # 12 coordinates: [ 0.221091100000000, 0.651506340000000, 0.770139320000000 ] mass: 6.941000 - symbol: Li # 13 coordinates: [ 0.491909620000000, 0.491909620000000, 0.239043950000000 ] mass: 6.941000 - symbol: Li # 14 coordinates: [ 0.436542390000000, 0.952671550000000, 0.793470500000000 ] mass: 6.941000 - symbol: Li # 15 coordinates: [ 0.675779210000000, 0.675779210000000, 0.427052580000000 ] mass: 6.941000 - symbol: Li # 16 coordinates: [ 0.348493660000000, 0.778908900000000, 0.229860680000000 ] mass: 6.941000 - symbol: Li # 17 coordinates: [ 0.778908900000000, 0.348493660000000, 0.229860680000000 ] mass: 6.941000 - symbol: Li # 18 coordinates: [ 0.508090380000000, 0.508090380000000, 0.760956050000000 ] mass: 6.941000 - symbol: Li # 19 coordinates: [ 0.088324440000000, 0.648773660000000, 0.962787930000000 ] mass: 6.941000 - symbol: Li # 20 coordinates: [ 0.952671550000000, 0.436542390000000, 0.793470500000000 ] mass: 6.941000 - symbol: Si # 21 coordinates: [ 0.600108750000000, 0.600108750000000, 0.695010350000000 ] mass: 28.085500 - symbol: Si # 22 coordinates: [ 0.399891250000000, 0.399891250000000, 0.304989650000000 ] mass: 28.085500 - symbol: Si # 23 coordinates: [ 0.780792560000000, 0.780792560000000, 0.687782640000000 ] mass: 28.085500 - symbol: Si # 24 coordinates: [ 0.219207440000000, 0.219207440000000, 0.312217360000000 ] mass: 28.085500 - symbol: Pb # 25 coordinates: [ 0.038875790000000, 0.038875790000000, 0.786537350000000 ] mass: 207.200000 - symbol: Pb # 26 coordinates: [ 0.961124210000000, 0.961124210000000, 0.213462650000000 ] mass: 207.200000 - symbol: O # 27 coordinates: [ 0.549960110000000, 0.549960110000000, 0.501439430000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.033977550000000, 0.579042410000000, 0.824140250000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.272532940000000, 0.272532940000000, 0.261322370000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.594215440000000, 0.594215440000000, 0.011499860000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.750053580000000, 0.249946420000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.579042410000000, 0.033977550000000, 0.824140250000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.249946420000000, 0.750053580000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.450039890000000, 0.450039890000000, 0.498560570000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.214127080000000, 0.214127080000000, 0.625697120000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.849362930000000, 0.409958370000000, 0.642844320000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.590041630000000, 0.150637070000000, 0.357155680000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.420957590000000, 0.966022450000000, 0.175859750000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.409958370000000, 0.849362930000000, 0.642844320000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.785872920000000, 0.785872920000000, 0.374302880000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.150637070000000, 0.590041630000000, 0.357155680000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.727467060000000, 0.727467060000000, 0.738677630000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.091613930000000, 0.091613930000000, 0.143499960000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.966022450000000, 0.420957590000000, 0.175859750000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.405784560000000, 0.405784560000000, 0.988500140000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.908386070000000, 0.908386070000000, 0.856500040000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.033621781977459, -0.165590610856047, 0.005686696117351 ] # a* - [ 0.033621781977459, 0.165590610856047, 0.005686696117351 ] # b* - [ -0.000378208473734, 0.000000000000000, 0.198225223820563 ] # c*unit_cell: lattice: - [ 29.733028290000000, 0.000000000000000, 0.056729830000000 ] # a - [ 0.000000000000000, 6.038989740000000, 0.000000000000000 ] # b - [ -0.852982750000000, 0.000000000000000, 5.043139190000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.131450950000000, 0.780224610000000, 0.037212070000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.305393030000000, 0.741935420000000, 0.206529500000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.131450950000000, 0.219775390000000, 0.037212070000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.270013480000000, 0.000000000000000, 0.864363580000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.436298720000000, 0.784792380000000, 0.770139320000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.229986520000000, 0.500000000000000, 0.135636420000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.368549050000000, 0.719775390000000, 0.962787930000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.132171360000000, 0.000000000000000, 0.485353820000000 ] mass: 6.941000 reduced_to: 8 - symbol: Li # 9 coordinates: [ 0.305393030000000, 0.258064580000000, 0.206529500000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.367828640000000, 0.500000000000000, 0.514646180000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.324220790000000, 0.000000000000000, 0.572947420000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.436298720000000, 0.215207620000000, 0.770139320000000 ] mass: 6.941000 reduced_to: 12 - symbol: Li # 13 coordinates: [ 0.491909620000000, 0.000000000000000, 0.239043950000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.194606970000000, 0.758064580000000, 0.793470500000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 15 coordinates: [ 0.175779210000000, 0.500000000000000, 0.427052580000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 16 coordinates: [ 0.063701280000000, 0.715207620000000, 0.229860680000000 ] mass: 6.941000 reduced_to: 16 - symbol: Li # 17 coordinates: [ 0.063701280000000, 0.284792380000000, 0.229860680000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.008090380000000, 0.500000000000000, 0.760956050000000 ] mass: 6.941000 reduced_to: 18 - symbol: Li # 19 coordinates: [ 0.368549050000000, 0.280224610000000, 0.962787930000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 20 coordinates: [ 0.194606970000000, 0.241935420000000, 0.793470500000000 ] mass: 6.941000 reduced_to: 20 - symbol: Li # 21 coordinates: [ 0.631450950000000, 0.280224610000000, 0.037212070000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 22 coordinates: [ 0.805393030000000, 0.241935420000000, 0.206529500000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 23 coordinates: [ 0.631450950000000, 0.719775390000000, 0.037212070000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 24 coordinates: [ 0.770013480000000, 0.500000000000000, 0.864363580000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 25 coordinates: [ 0.936298720000000, 0.284792380000000, 0.770139320000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 26 coordinates: [ 0.729986520000000, 0.000000000000000, 0.135636420000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 27 coordinates: [ 0.868549050000000, 0.219775390000000, 0.962787930000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 28 coordinates: [ 0.632171360000000, 0.500000000000000, 0.485353820000000 ] mass: 6.941000 reduced_to: 8 - symbol: Li # 29 coordinates: [ 0.805393030000000, 0.758064580000000, 0.206529500000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 30 coordinates: [ 0.867828640000000, 0.000000000000000, 0.514646180000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 31 coordinates: [ 0.824220790000000, 0.500000000000000, 0.572947420000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 32 coordinates: [ 0.936298720000000, 0.715207620000000, 0.770139320000000 ] mass: 6.941000 reduced_to: 12 - symbol: Li # 33 coordinates: [ 0.991909620000000, 0.500000000000000, 0.239043950000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 34 coordinates: [ 0.694606970000000, 0.258064580000000, 0.793470500000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 35 coordinates: [ 0.675779210000000, 0.000000000000000, 0.427052580000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 36 coordinates: [ 0.563701280000000, 0.215207620000000, 0.229860680000000 ] mass: 6.941000 reduced_to: 16 - symbol: Li # 37 coordinates: [ 0.563701280000000, 0.784792380000000, 0.229860680000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 38 coordinates: [ 0.508090380000000, 0.000000000000000, 0.760956050000000 ] mass: 6.941000 reduced_to: 18 - symbol: Li # 39 coordinates: [ 0.868549050000000, 0.780224610000000, 0.962787930000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 40 coordinates: [ 0.694606970000000, 0.741935420000000, 0.793470500000000 ] mass: 6.941000 reduced_to: 20 - symbol: Si # 41 coordinates: [ 0.100108750000000, 0.500000000000000, 0.695010350000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 42 coordinates: [ 0.399891250000000, 0.000000000000000, 0.304989650000000 ] mass: 28.085500 reduced_to: 42 - symbol: Si # 43 coordinates: [ 0.280792560000000, 0.500000000000000, 0.687782640000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 44 coordinates: [ 0.219207440000000, 0.000000000000000, 0.312217360000000 ] mass: 28.085500 reduced_to: 44 - symbol: Si # 45 coordinates: [ 0.600108750000000, 0.000000000000000, 0.695010350000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 46 coordinates: [ 0.899891250000000, 0.500000000000000, 0.304989650000000 ] mass: 28.085500 reduced_to: 42 - symbol: Si # 47 coordinates: [ 0.780792560000000, 0.000000000000000, 0.687782640000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 48 coordinates: [ 0.719207440000000, 0.500000000000000, 0.312217360000000 ] mass: 28.085500 reduced_to: 44 - symbol: Pb # 49 coordinates: [ 0.038875790000000, 0.000000000000000, 0.786537350000000 ] mass: 207.200000 reduced_to: 49 - symbol: Pb # 50 coordinates: [ 0.461124210000000, 0.500000000000000, 0.213462650000000 ] mass: 207.200000 reduced_to: 50 - symbol: Pb # 51 coordinates: [ 0.538875790000000, 0.500000000000000, 0.786537350000000 ] mass: 207.200000 reduced_to: 49 - symbol: Pb # 52 coordinates: [ 0.961124210000000, 0.000000000000000, 0.213462650000000 ] mass: 207.200000 reduced_to: 50 - symbol: O # 53 coordinates: [ 0.049960110000000, 0.500000000000000, 0.501439430000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.306509980000000, 0.272532430000000, 0.824140250000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.272532940000000, 0.000000000000000, 0.261322370000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.094215440000000, 0.500000000000000, 0.011499860000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.000000000000000, 0.249946420000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.306509980000000, 0.727467570000000, 0.824140250000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.500000000000000, 0.250053580000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.450039890000000, 0.000000000000000, 0.498560570000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.214127080000000, 0.000000000000000, 0.625697120000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.129660650000000, 0.280297720000000, 0.642844320000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.370339350000000, 0.780297720000000, 0.357155680000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.193490020000000, 0.772532430000000, 0.175859750000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.129660650000000, 0.719702280000000, 0.642844320000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.285872920000000, 0.500000000000000, 0.374302880000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.370339350000000, 0.219702280000000, 0.357155680000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.227467060000000, 0.500000000000000, 0.738677630000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.091613930000000, 0.000000000000000, 0.143499960000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.193490020000000, 0.227467570000000, 0.175859750000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.405784560000000, 0.000000000000000, 0.988500140000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.408386070000000, 0.500000000000000, 0.856500040000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.549960110000000, 0.000000000000000, 0.501439430000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 74 coordinates: [ 0.806509980000000, 0.772532430000000, 0.824140250000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 75 coordinates: [ 0.772532940000000, 0.500000000000000, 0.261322370000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 76 coordinates: [ 0.594215440000000, 0.000000000000000, 0.011499860000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 77 coordinates: [ 0.500000000000000, 0.749946420000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 78 coordinates: [ 0.806509980000000, 0.227467570000000, 0.824140250000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 79 coordinates: [ 0.000000000000000, 0.750053580000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 80 coordinates: [ 0.950039890000000, 0.500000000000000, 0.498560570000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 81 coordinates: [ 0.714127080000000, 0.500000000000000, 0.625697120000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 82 coordinates: [ 0.629660650000000, 0.780297720000000, 0.642844320000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 83 coordinates: [ 0.870339350000000, 0.280297720000000, 0.357155680000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 84 coordinates: [ 0.693490020000000, 0.272532430000000, 0.175859750000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 85 coordinates: [ 0.629660650000000, 0.219702280000000, 0.642844320000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 86 coordinates: [ 0.785872920000000, 0.000000000000000, 0.374302880000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 87 coordinates: [ 0.870339350000000, 0.719702280000000, 0.357155680000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 88 coordinates: [ 0.727467060000000, 0.000000000000000, 0.738677630000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 89 coordinates: [ 0.591613930000000, 0.500000000000000, 0.143499960000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 90 coordinates: [ 0.693490020000000, 0.727467570000000, 0.175859750000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 91 coordinates: [ 0.905784560000000, 0.500000000000000, 0.988500140000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 92 coordinates: [ 0.908386070000000, 0.000000000000000, 0.856500040000000 ] mass: 15.999400 reduced_to: 72supercell: lattice: - [ 29.733028290000000, 0.000000000000000, 0.056729830000000 ] # a - [ 0.000000000000000, 6.038989740000000, 0.000000000000000 ] # b - [ -0.852982750000000, 0.000000000000000, 5.043139190000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.131450950000000, 0.780224610000000, 0.037212070000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.305393030000000, 0.741935420000000, 0.206529500000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.131450950000000, 0.219775390000000, 0.037212070000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.270013480000000, 0.000000000000000, 0.864363580000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.436298720000000, 0.784792380000000, 0.770139320000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.229986520000000, 0.500000000000000, 0.135636420000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.368549050000000, 0.719775390000000, 0.962787930000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.132171360000000, 0.000000000000000, 0.485353820000000 ] mass: 6.941000 reduced_to: 8 - symbol: Li # 9 coordinates: [ 0.305393030000000, 0.258064580000000, 0.206529500000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.367828640000000, 0.500000000000000, 0.514646180000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.324220790000000, 0.000000000000000, 0.572947420000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.436298720000000, 0.215207620000000, 0.770139320000000 ] mass: 6.941000 reduced_to: 12 - symbol: Li # 13 coordinates: [ 0.491909620000000, 0.000000000000000, 0.239043950000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.194606970000000, 0.758064580000000, 0.793470500000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 15 coordinates: [ 0.175779210000000, 0.500000000000000, 0.427052580000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 16 coordinates: [ 0.063701280000000, 0.715207620000000, 0.229860680000000 ] mass: 6.941000 reduced_to: 16 - symbol: Li # 17 coordinates: [ 0.063701280000000, 0.284792380000000, 0.229860680000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.008090380000000, 0.500000000000000, 0.760956050000000 ] mass: 6.941000 reduced_to: 18 - symbol: Li # 19 coordinates: [ 0.368549050000000, 0.280224610000000, 0.962787930000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 20 coordinates: [ 0.194606970000000, 0.241935420000000, 0.793470500000000 ] mass: 6.941000 reduced_to: 20 - symbol: Li # 21 coordinates: [ 0.631450950000000, 0.280224610000000, 0.037212070000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 22 coordinates: [ 0.805393030000000, 0.241935420000000, 0.206529500000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 23 coordinates: [ 0.631450950000000, 0.719775390000000, 0.037212070000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 24 coordinates: [ 0.770013480000000, 0.500000000000000, 0.864363580000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 25 coordinates: [ 0.936298720000000, 0.284792380000000, 0.770139320000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 26 coordinates: [ 0.729986520000000, 0.000000000000000, 0.135636420000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 27 coordinates: [ 0.868549050000000, 0.219775390000000, 0.962787930000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 28 coordinates: [ 0.632171360000000, 0.500000000000000, 0.485353820000000 ] mass: 6.941000 reduced_to: 8 - symbol: Li # 29 coordinates: [ 0.805393030000000, 0.758064580000000, 0.206529500000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 30 coordinates: [ 0.867828640000000, 0.000000000000000, 0.514646180000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 31 coordinates: [ 0.824220790000000, 0.500000000000000, 0.572947420000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 32 coordinates: [ 0.936298720000000, 0.715207620000000, 0.770139320000000 ] mass: 6.941000 reduced_to: 12 - symbol: Li # 33 coordinates: [ 0.991909620000000, 0.500000000000000, 0.239043950000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 34 coordinates: [ 0.694606970000000, 0.258064580000000, 0.793470500000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 35 coordinates: [ 0.675779210000000, 0.000000000000000, 0.427052580000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 36 coordinates: [ 0.563701280000000, 0.215207620000000, 0.229860680000000 ] mass: 6.941000 reduced_to: 16 - symbol: Li # 37 coordinates: [ 0.563701280000000, 0.784792380000000, 0.229860680000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 38 coordinates: [ 0.508090380000000, 0.000000000000000, 0.760956050000000 ] mass: 6.941000 reduced_to: 18 - symbol: Li # 39 coordinates: [ 0.868549050000000, 0.780224610000000, 0.962787930000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 40 coordinates: [ 0.694606970000000, 0.741935420000000, 0.793470500000000 ] mass: 6.941000 reduced_to: 20 - symbol: Si # 41 coordinates: [ 0.100108750000000, 0.500000000000000, 0.695010350000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 42 coordinates: [ 0.399891250000000, 0.000000000000000, 0.304989650000000 ] mass: 28.085500 reduced_to: 42 - symbol: Si # 43 coordinates: [ 0.280792560000000, 0.500000000000000, 0.687782640000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 44 coordinates: [ 0.219207440000000, 0.000000000000000, 0.312217360000000 ] mass: 28.085500 reduced_to: 44 - symbol: Si # 45 coordinates: [ 0.600108750000000, 0.000000000000000, 0.695010350000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 46 coordinates: [ 0.899891250000000, 0.500000000000000, 0.304989650000000 ] mass: 28.085500 reduced_to: 42 - symbol: Si # 47 coordinates: [ 0.780792560000000, 0.000000000000000, 0.687782640000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 48 coordinates: [ 0.719207440000000, 0.500000000000000, 0.312217360000000 ] mass: 28.085500 reduced_to: 44 - symbol: Pb # 49 coordinates: [ 0.038875790000000, 0.000000000000000, 0.786537350000000 ] mass: 207.200000 reduced_to: 49 - symbol: Pb # 50 coordinates: [ 0.461124210000000, 0.500000000000000, 0.213462650000000 ] mass: 207.200000 reduced_to: 50 - symbol: Pb # 51 coordinates: [ 0.538875790000000, 0.500000000000000, 0.786537350000000 ] mass: 207.200000 reduced_to: 49 - symbol: Pb # 52 coordinates: [ 0.961124210000000, 0.000000000000000, 0.213462650000000 ] mass: 207.200000 reduced_to: 50 - symbol: O # 53 coordinates: [ 0.049960110000000, 0.500000000000000, 0.501439430000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.306509980000000, 0.272532430000000, 0.824140250000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.272532940000000, 0.000000000000000, 0.261322370000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.094215440000000, 0.500000000000000, 0.011499860000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.000000000000000, 0.249946420000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.306509980000000, 0.727467570000000, 0.824140250000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.500000000000000, 0.250053580000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.450039890000000, 0.000000000000000, 0.498560570000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.214127080000000, 0.000000000000000, 0.625697120000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.129660650000000, 0.280297720000000, 0.642844320000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.370339350000000, 0.780297720000000, 0.357155680000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.193490020000000, 0.772532430000000, 0.175859750000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.129660650000000, 0.719702280000000, 0.642844320000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.285872920000000, 0.500000000000000, 0.374302880000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.370339350000000, 0.219702280000000, 0.357155680000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.227467060000000, 0.500000000000000, 0.738677630000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.091613930000000, 0.000000000000000, 0.143499960000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.193490020000000, 0.227467570000000, 0.175859750000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.405784560000000, 0.000000000000000, 0.988500140000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.408386070000000, 0.500000000000000, 0.856500040000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.549960110000000, 0.000000000000000, 0.501439430000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 74 coordinates: [ 0.806509980000000, 0.772532430000000, 0.824140250000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 75 coordinates: [ 0.772532940000000, 0.500000000000000, 0.261322370000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 76 coordinates: [ 0.594215440000000, 0.000000000000000, 0.011499860000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 77 coordinates: [ 0.500000000000000, 0.749946420000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 78 coordinates: [ 0.806509980000000, 0.227467570000000, 0.824140250000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 79 coordinates: [ 0.000000000000000, 0.750053580000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 80 coordinates: [ 0.950039890000000, 0.500000000000000, 0.498560570000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 81 coordinates: [ 0.714127080000000, 0.500000000000000, 0.625697120000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 82 coordinates: [ 0.629660650000000, 0.780297720000000, 0.642844320000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 83 coordinates: [ 0.870339350000000, 0.280297720000000, 0.357155680000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 84 coordinates: [ 0.693490020000000, 0.272532430000000, 0.175859750000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 85 coordinates: [ 0.629660650000000, 0.219702280000000, 0.642844320000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 86 coordinates: [ 0.785872920000000, 0.000000000000000, 0.374302880000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 87 coordinates: [ 0.870339350000000, 0.719702280000000, 0.357155680000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 88 coordinates: [ 0.727467060000000, 0.000000000000000, 0.738677630000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 89 coordinates: [ 0.591613930000000, 0.500000000000000, 0.143499960000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 90 coordinates: [ 0.693490020000000, 0.727467570000000, 0.175859750000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 91 coordinates: [ 0.905784560000000, 0.500000000000000, 0.988500140000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 92 coordinates: [ 0.908386070000000, 0.000000000000000, 0.856500040000000 ] mass: 15.999400 reduced_to: 72displacements:- atom: 1 displacement: [ 0.0099999817982353, 0.0000000000000000, 0.0000190797002540 ] forces: - [ -0.0835345000000000, 0.0045977200000000, -0.0082302800000000 ] - [ 0.0009442900000000, -0.0000817400000000, 0.0000318900000000 ] - [ -0.0067287100000000, 0.0013162000000000, -0.0006326000000000 ] - [ 0.0010456700000000, 0.0002308600000000, -0.0000960800000000 ] - [ 0.0005210700000000, 0.0000130900000000, 0.0001123300000000 ] - [ 0.0013874500000000, -0.0017629100000000, -0.0000411500000000 ] - [ 0.0008854000000000, 0.0000385300000000, 0.0000853800000000 ] - [ -0.0062942300000000, 0.0002589200000000, -0.0020919600000000 ] - [ 0.0006334400000000, 0.0000703400000000, -0.0000230900000000 ] - [ 0.0010629400000000, 0.0000036100000000, -0.0000140700000000 ] - [ 0.0008238700000000, 0.0000039200000000, -0.0000181400000000 ] - [ 0.0005198800000000, -0.0000158600000000, 0.0001126300000000 ] - [ 0.0003791800000000, 0.0000009400000000, 0.0002685100000000 ] - [ 0.0070694600000000, -0.0014864100000000, -0.0079507800000000 ] - [ -0.0042757100000000, -0.0025776100000000, 0.0026329100000000 ] - [ 0.0095402700000000, 0.0023584400000000, -0.0062441200000000 ] - [ -0.0000581000000000, 0.0000532600000000, -0.0009637600000000 ] - [ 0.0005600600000000, 0.0001200000000000, 0.0002973800000000 ] - [ 0.0008705900000000, -0.0000370700000000, 0.0000791100000000 ] - [ -0.0021839400000000, 0.0008602300000000, -0.0010664300000000 ] - [ 0.0006689300000000, -0.0001146900000000, 0.0001796600000000 ] - [ 0.0006970000000000, -0.0000380200000000, 0.0000440300000000 ] - [ 0.0006717300000000, 0.0001130400000000, 0.0001802600000000 ] - [ 0.0009386700000000, 0.0000004600000000, 0.0001358600000000 ] - [ 0.0004914500000000, -0.0000240800000000, 0.0001392900000000 ] - [ 0.0005149500000000, -0.0000007100000000, 0.0000977700000000 ] - [ 0.0009017900000000, 0.0000263000000000, 0.0000885900000000 ] - [ 0.0007302400000000, -0.0000033900000000, 0.0003528000000000 ] - [ 0.0006926500000000, 0.0000342000000000, 0.0000509900000000 ] - [ 0.0010678600000000, 0.0000040800000000, -0.0000162300000000 ] - [ 0.0008174400000000, -0.0000007200000000, -0.0000969000000000 ] - [ 0.0005240500000000, 0.0000384100000000, 0.0001618900000000 ] - [ 0.0000999800000000, 0.0000459300000000, -0.0001105700000000 ] - [ 0.0009289400000000, -0.0000149200000000, 0.0002197600000000 ] - [ 0.0010239100000000, -0.0000005900000000, 0.0002802400000000 ] - [ 0.0004913100000000, -0.0002227900000000, 0.0001739100000000 ] - [ 0.0004869200000000, 0.0002265700000000, 0.0001670700000000 ] - [ 0.0008020800000000, -0.0000029600000000, -0.0000630200000000 ] - [ 0.0009044000000000, -0.0000233500000000, 0.0000894800000000 ] - [ 0.0009238000000000, 0.0000203700000000, 0.0002117600000000 ] - [ -0.0111706600000000, 0.0038654300000000, 0.0093308600000000 ] - [ 0.0017404300000000, 0.0000042600000000, 0.0001202400000000 ] - [ 0.0014991100000000, -0.0001855400000000, 0.0009332900000000 ] - [ 0.0056656500000000, 0.0081865900000000, 0.0047944900000000 ] - [ 0.0015835200000000, -0.0000064000000000, 0.0004287000000000 ] - [ 0.0015983500000000, -0.0000053400000000, 0.0000150600000000 ] - [ 0.0021085600000000, -0.0000008900000000, 0.0004167400000000 ] - [ 0.0022517100000000, 0.0000037900000000, 0.0003103800000000 ] - [ 0.0058035600000000, -0.0033364200000000, 0.0045181600000000 ] - [ 0.0015448400000000, 0.0000023800000000, 0.0000228300000000 ] - [ 0.0013218100000000, -0.0000023700000000, 0.0003479300000000 ] - [ 0.0015457500000000, -0.0000847600000000, -0.0000392800000000 ] - [ 0.0025047300000000, 0.0001923500000000, 0.0004094800000000 ] - [ -0.0007504600000000, -0.0007109900000000, -0.0001560900000000 ] - [ -0.0017866200000000, -0.0011801800000000, -0.0007470500000000 ] - [ 0.0097761500000000, 0.0000035100000000, -0.0010395500000000 ] - [ -0.0010442600000000, -0.0000563400000000, 0.0005771900000000 ] - [ -0.0007780600000000, 0.0007855800000000, -0.0000756900000000 ] - [ -0.0010568100000000, 0.0002933500000000, 0.0002937800000000 ] - [ -0.0009493900000000, -0.0000097600000000, -0.0002471900000000 ] - [ 0.0004411200000000, -0.0023473800000000, -0.0011806300000000 ] - [ 0.0072633400000000, -0.0015089100000000, -0.0002560300000000 ] - [ -0.0017011400000000, -0.0006160500000000, -0.0000514900000000 ] - [ 0.0323311900000000, -0.0015191500000000, 0.0099848600000000 ] - [ 0.0141613900000000, 0.0021339500000000, 0.0014384500000000 ] - [ -0.0010587500000000, 0.0002971500000000, -0.0004653900000000 ] - [ -0.0017053100000000, 0.0006056400000000, -0.0000503700000000 ] - [ -0.0005836900000000, 0.0011106700000000, 0.0007438300000000 ] - [ 0.0158854700000000, -0.0073899900000000, -0.0031298200000000 ] - [ 0.0026615400000000, -0.0027130700000000, -0.0000246400000000 ] - [ -0.0007153900000000, -0.0000133900000000, -0.0003801000000000 ] - [ -0.0010219800000000, 0.0000190900000000, -0.0009637500000000 ] - [ -0.0013548400000000, 0.0000172800000000, -0.0005010400000000 ] - [ -0.0009828000000000, -0.0006330000000000, -0.0001334300000000 ] - [ -0.0011850300000000, -0.0000091900000000, -0.0004246500000000 ] - [ -0.0011389900000000, 0.0000208200000000, 0.0002557100000000 ] - [ -0.0010923200000000, -0.0002963400000000, 0.0002708300000000 ] - [ -0.0009908500000000, 0.0006347700000000, -0.0001289200000000 ] - [ -0.0013611600000000, 0.0004239700000000, 0.0000392400000000 ] - [ -0.0006500100000000, -0.0000072600000000, -0.0001927000000000 ] - [ -0.0013324600000000, -0.0000042800000000, -0.0001066300000000 ] - [ -0.0008836400000000, -0.0003772200000000, -0.0002255500000000 ] - [ -0.0016483700000000, -0.0005758600000000, -0.0000347800000000 ] - [ -0.0015838500000000, -0.0009923800000000, -0.0004585800000000 ] - [ -0.0008852400000000, 0.0003843400000000, -0.0002321800000000 ] - [ -0.0009145400000000, 0.0000087700000000, -0.0002102800000000 ] - [ -0.0016326400000000, 0.0005774800000000, -0.0000353000000000 ] - [ -0.0022444700000000, 0.0000037400000000, 0.0001570300000000 ] - [ -0.0016430600000000, -0.0000268400000000, -0.0005858800000000 ] - [ -0.0015805100000000, 0.0009892700000000, -0.0004554100000000 ] - [ -0.0007207900000000, 0.0000034600000000, -0.0003689600000000 ] - [ -0.0010866300000000, 0.0000140300000000, -0.0010419800000000 ]- atom: 1 displacement: [ -0.0099999817982353, 0.0000000000000000, -0.0000190797002540 ] forces: - [ 0.0821034600000000, -0.0050059000000000, 0.0072336400000000 ] - [ -0.0011673200000000, 0.0000657300000000, -0.0002050500000000 ] - [ 0.0064645200000000, -0.0012151100000000, 0.0007079000000000 ] - [ -0.0006239600000000, -0.0002252200000000, 0.0001416600000000 ] - [ -0.0004979700000000, 0.0002266400000000, -0.0001722900000000 ] - [ -0.0017877200000000, 0.0017537800000000, 0.0000015300000000 ] - [ -0.0006740000000000, 0.0001068900000000, -0.0001759900000000 ] - [ 0.0059809200000000, -0.0002981200000000, 0.0024465800000000 ] - [ -0.0008178100000000, -0.0000761300000000, -0.0001199700000000 ] - [ -0.0007578800000000, -0.0000003200000000, -0.0003673400000000 ] - [ -0.0010311100000000, -0.0000019400000000, -0.0003622500000000 ] - [ -0.0004978800000000, -0.0002240700000000, -0.0001768300000000 ] - [ -0.0008063600000000, 0.0000005300000000, 0.0000692600000000 ] - [ -0.0067415000000000, 0.0014844400000000, 0.0079786000000000 ] - [ 0.0044412500000000, 0.0025871000000000, -0.0022622900000000 ] - [ -0.0097261400000000, -0.0026493600000000, 0.0064326600000000 ] - [ 0.0000361800000000, 0.0001837800000000, 0.0010277100000000 ] - [ -0.0001339400000000, -0.0001247000000000, -0.0006153700000000 ] - [ -0.0006667100000000, -0.0001045900000000, -0.0001701600000000 ] - [ 0.0023823500000000, -0.0008639700000000, 0.0012180100000000 ] - [ -0.0008810900000000, -0.0000320600000000, -0.0000916200000000 ] - [ -0.0008939100000000, 0.0000272000000000, -0.0002117900000000 ] - [ -0.0008786200000000, 0.0000301900000000, -0.0000904800000000 ] - [ -0.0005160100000000, 0.0000031900000000, -0.0000985500000000 ] - [ -0.0004701700000000, 0.0002642800000000, -0.0002008700000000 ] - [ -0.0009354700000000, -0.0000015200000000, -0.0001361000000000 ] - [ -0.0006740000000000, 0.0001178800000000, -0.0001763700000000 ] - [ -0.0010382800000000, -0.0000006700000000, 0.0000271200000000 ] - [ -0.0008698000000000, -0.0000381900000000, -0.0001917400000000 ] - [ -0.0007576000000000, 0.0000016200000000, -0.0003643100000000 ] - [ -0.0010222400000000, 0.0000008600000000, -0.0002824100000000 ] - [ -0.0005024300000000, -0.0002777700000000, -0.0002223000000000 ] - [ -0.0005269100000000, -0.0000404700000000, 0.0004486900000000 ] - [ -0.0007052000000000, 0.0000339100000000, -0.0000461400000000 ] - [ -0.0008169500000000, -0.0000014300000000, 0.0000976300000000 ] - [ -0.0005172200000000, -0.0000147200000000, -0.0001092700000000 ] - [ -0.0005180200000000, 0.0000134800000000, -0.0001066800000000 ] - [ -0.0003786300000000, -0.0000022900000000, -0.0002672200000000 ] - [ -0.0006797000000000, -0.0001164400000000, -0.0001726000000000 ] - [ -0.0007374500000000, -0.0000164500000000, -0.0000680500000000 ] - [ 0.0111393300000000, -0.0037944300000000, -0.0089621500000000 ] - [ -0.0016123700000000, 0.0000102900000000, -0.0004199200000000 ] - [ -0.0016355000000000, 0.0001768100000000, -0.0008324200000000 ] - [ -0.0054517300000000, -0.0081968200000000, -0.0048572800000000 ] - [ -0.0017128500000000, -0.0000104500000000, -0.0001340000000000 ] - [ -0.0014741500000000, 0.0000065200000000, -0.0003163200000000 ] - [ -0.0022531900000000, -0.0000064300000000, -0.0003148300000000 ] - [ -0.0020991400000000, 0.0000084000000000, -0.0004120300000000 ] - [ -0.0060657000000000, 0.0034055300000000, -0.0042335200000000 ] - [ -0.0013410600000000, -0.0000001800000000, -0.0003472200000000 ] - [ -0.0015243600000000, 0.0000037100000000, -0.0000245100000000 ] - [ -0.0013361200000000, 0.0000863100000000, -0.0002876600000000 ] - [ -0.0029272700000000, -0.0002062800000000, -0.0006533500000000 ] - [ 0.0013532500000000, -0.0009058300000000, 0.0004820100000000 ] - [ 0.0028708900000000, 0.0011829100000000, 0.0001585900000000 ] - [ -0.0103794100000000, -0.0002601600000000, 0.0016423900000000 ] - [ 0.0010443600000000, -0.0005264200000000, -0.0005792500000000 ] - [ 0.0013859600000000, 0.0008416900000000, 0.0004128000000000 ] - [ 0.0010740500000000, 0.0002837500000000, -0.0002798000000000 ] - [ 0.0013520500000000, -0.0000027800000000, 0.0004848000000000 ] - [ -0.0008719000000000, 0.0023347700000000, 0.0013006300000000 ] - [ -0.0064693800000000, 0.0004913500000000, 0.0000720200000000 ] - [ 0.0009072800000000, -0.0003943400000000, 0.0002307500000000 ] - [ -0.0310934400000000, -0.0001079400000000, -0.0094591300000000 ] - [ -0.0133571000000000, -0.0011280700000000, -0.0015933800000000 ] - [ 0.0014827500000000, -0.0002890800000000, 0.0003467600000000 ] - [ 0.0009272800000000, 0.0003889800000000, 0.0002257000000000 ] - [ -0.0005042800000000, -0.0011007100000000, -0.0001488700000000 ] - [ -0.0169565900000000, 0.0079419900000000, 0.0037220800000000 ] - [ -0.0032566900000000, 0.0043217900000000, -0.0003104400000000 ] - [ 0.0011332600000000, -0.0000037300000000, -0.0002521100000000 ] - [ 0.0016363400000000, 0.0000022500000000, 0.0005947400000000 ] - [ 0.0009550400000000, 0.0000068900000000, 0.0002661300000000 ] - [ 0.0015898600000000, -0.0009854000000000, 0.0004607800000000 ] - [ 0.0022585300000000, -0.0000023000000000, -0.0001636900000000 ] - [ 0.0007229600000000, 0.0000094900000000, 0.0003761800000000 ] - [ 0.0010665200000000, -0.0002854100000000, -0.0002863200000000 ] - [ 0.0015907000000000, 0.0009892600000000, 0.0004620900000000 ] - [ 0.0013508800000000, 0.0001558100000000, -0.0000471600000000 ] - [ 0.0010555800000000, 0.0000111400000000, 0.0004376500000000 ] - [ 0.0009056300000000, -0.0000015000000000, 0.0002232600000000 ] - [ 0.0016633300000000, -0.0006174700000000, 0.0000517800000000 ] - [ 0.0008532400000000, -0.0004300800000000, 0.0002143000000000 ] - [ 0.0009704900000000, -0.0006402600000000, 0.0001203000000000 ] - [ 0.0016702400000000, 0.0006264100000000, 0.0000486400000000 ] - [ 0.0013364100000000, 0.0000017200000000, 0.0000937100000000 ] - [ 0.0008553300000000, 0.0004252300000000, 0.0002145700000000 ] - [ 0.0011654600000000, 0.0000025800000000, 0.0004294300000000 ] - [ 0.0010320000000000, -0.0000080900000000, 0.0009513900000000 ] - [ 0.0009721900000000, 0.0006343700000000, 0.0001228300000000 ] - [ 0.0011387300000000, 0.0000073600000000, -0.0002669600000000 ] - [ 0.0017036100000000, -0.0000232000000000, 0.0006690600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0053748200000000, -0.0513348900000000, -0.0149679600000000 ] - [ -0.0001527600000000, -0.0000135100000000, -0.0001173100000000 ] - [ -0.0013766400000000, 0.0129584900000000, 0.0003096800000000 ] - [ 0.0002699200000000, -0.0000338100000000, 0.0000892000000000 ] - [ -0.0000063400000000, 0.0001227700000000, -0.0000389800000000 ] - [ -0.0013043100000000, 0.0005016700000000, -0.0004611400000000 ] - [ 0.0000670700000000, 0.0000778600000000, -0.0000528800000000 ] - [ -0.0004809500000000, 0.0006457000000000, 0.0032682400000000 ] - [ -0.0000888200000000, 0.0000074000000000, -0.0000929500000000 ] - [ 0.0001284600000000, 0.0000003600000000, -0.0001966000000000 ] - [ -0.0001139400000000, 0.0000026300000000, -0.0001882900000000 ] - [ -0.0000080400000000, -0.0001263200000000, -0.0000374800000000 ] - [ -0.0002404500000000, -0.0000012800000000, 0.0001638200000000 ] - [ -0.0009570800000000, -0.0033042200000000, 0.0002773400000000 ] - [ -0.0030921500000000, 0.0024686500000000, -0.0036689200000000 ] - [ 0.0035168300000000, -0.0041342600000000, -0.0008954800000000 ] - [ 0.0007742200000000, 0.0029320200000000, -0.0004396900000000 ] - [ 0.0018807500000000, -0.0000185800000000, 0.0001789400000000 ] - [ 0.0000662600000000, -0.0000794600000000, -0.0000506700000000 ] - [ 0.0002671800000000, 0.0012421900000000, -0.0002782200000000 ] - [ -0.0001435300000000, -0.0000746300000000, 0.0000366000000000 ] - [ -0.0001613500000000, -0.0000131900000000, -0.0000961100000000 ] - [ -0.0001401700000000, 0.0000698600000000, 0.0000371200000000 ] - [ 0.0001775700000000, -0.0000005700000000, 0.0000149600000000 ] - [ 0.0000323600000000, 0.0001849900000000, -0.0000565800000000 ] - [ -0.0002449600000000, -0.0000031100000000, -0.0000264500000000 ] - [ 0.0000519900000000, 0.0001065000000000, -0.0000430400000000 ] - [ -0.0002042500000000, -0.0000045100000000, 0.0001839200000000 ] - [ -0.0001572800000000, 0.0000053100000000, -0.0000862700000000 ] - [ 0.0000972700000000, 0.0000011800000000, -0.0002222500000000 ] - [ -0.0001369800000000, -0.0000015400000000, -0.0001933300000000 ] - [ 0.0000313800000000, -0.0001872500000000, -0.0000550500000000 ] - [ 0.0005471400000000, -0.0000027700000000, 0.0004901100000000 ] - [ 0.0001008600000000, 0.0000175300000000, 0.0000904900000000 ] - [ 0.0000570000000000, -0.0000019800000000, 0.0001851000000000 ] - [ -0.0000417200000000, -0.0001138600000000, 0.0000345100000000 ] - [ -0.0000507600000000, 0.0001070000000000, 0.0000242600000000 ] - [ 0.0001842000000000, -0.0000038600000000, -0.0001685500000000 ] - [ 0.0000505600000000, -0.0001076600000000, -0.0000427300000000 ] - [ 0.0000773700000000, -0.0000096600000000, 0.0000738400000000 ] - [ 0.0033222600000000, 0.0118392400000000, 0.0209287400000000 ] - [ -0.0000112800000000, 0.0000064800000000, -0.0001612700000000 ] - [ -0.0006239300000000, 0.0000014800000000, 0.0002314500000000 ] - [ 0.0038550000000000, -0.0009034100000000, 0.0014022400000000 ] - [ -0.0001470200000000, -0.0000090600000000, 0.0001297100000000 ] - [ 0.0002117500000000, 0.0000007100000000, -0.0000026400000000 ] - [ -0.0001853700000000, -0.0000041200000000, 0.0000307200000000 ] - [ -0.0000283500000000, 0.0000039000000000, -0.0000707100000000 ] - [ -0.0048120300000000, 0.0006914900000000, -0.0032864700000000 ] - [ 0.0000409200000000, 0.0000004700000000, -0.0001670700000000 ] - [ -0.0001773700000000, -0.0000032600000000, 0.0001494100000000 ] - [ 0.0000224200000000, 0.0000020200000000, -0.0005879700000000 ] - [ -0.0021647800000000, -0.0004353900000000, -0.0023745100000000 ] - [ 0.0004480300000000, -0.0009150200000000, 0.0001719000000000 ] - [ 0.0008557100000000, 0.0003972200000000, -0.0000613600000000 ] - [ -0.0003360300000000, 0.0049079500000000, -0.0011703700000000 ] - [ -0.0003229000000000, -0.0018945700000000, -0.0000883400000000 ] - [ 0.0004371000000000, 0.0009052800000000, 0.0001672900000000 ] - [ 0.0000675600000000, 0.0002897100000000, -0.0000025900000000 ] - [ 0.0002645500000000, -0.0000091000000000, 0.0001474100000000 ] - [ -0.0006637600000000, 0.0004758900000000, 0.0005431300000000 ] - [ 0.0018866400000000, -0.0052499200000000, -0.0009651600000000 ] - [ -0.0003432600000000, -0.0005020600000000, 0.0000967600000000 ] - [ -0.0007798800000000, 0.0057964900000000, -0.0003935000000000 ] - [ 0.0012006900000000, 0.0085033000000000, -0.0024124600000000 ] - [ 0.0002127400000000, -0.0000158400000000, -0.0001759400000000 ] - [ -0.0003248700000000, 0.0004942500000000, 0.0000935000000000 ] - [ 0.0004616300000000, -0.0002230500000000, 0.0003150200000000 ] - [ -0.0064027400000000, 0.0147849000000000, 0.0055850600000000 ] - [ -0.0016299800000000, -0.0024214700000000, -0.0008693200000000 ] - [ 0.0002597900000000, -0.0000073700000000, -0.0003205100000000 ] - [ 0.0003679400000000, 0.0000084500000000, -0.0001536800000000 ] - [ -0.0001506600000000, 0.0000177400000000, -0.0001099100000000 ] - [ 0.0003685900000000, -0.0008084300000000, 0.0001701700000000 ] - [ 0.0006050100000000, -0.0000103000000000, -0.0002840500000000 ] - [ -0.0001633900000000, 0.0000212100000000, 0.0003293300000000 ] - [ 0.0000360000000000, -0.0002966700000000, -0.0000231700000000 ] - [ 0.0003647000000000, 0.0008093300000000, 0.0001763300000000 ] - [ -0.0002731700000000, 0.0019024400000000, -0.0000584300000000 ] - [ -0.0001519200000000, 0.0000044900000000, 0.0000644700000000 ] - [ -0.0001537600000000, -0.0000087900000000, 0.0000549400000000 ] - [ 0.0004529400000000, -0.0005000600000000, -0.0000781900000000 ] - [ -0.0003855800000000, -0.0005667300000000, 0.0000747400000000 ] - [ -0.0002400600000000, -0.0008023800000000, -0.0001513000000000 ] - [ 0.0004565800000000, 0.0005062600000000, -0.0000836400000000 ] - [ 0.0002633700000000, 0.0000067300000000, -0.0000355800000000 ] - [ -0.0003766000000000, 0.0005618800000000, 0.0000760500000000 ] - [ -0.0004391600000000, 0.0000062500000000, 0.0002960700000000 ] - [ -0.0002354900000000, -0.0000297100000000, 0.0002269000000000 ] - [ -0.0002369800000000, 0.0007940500000000, -0.0001436900000000 ] - [ 0.0002221700000000, 0.0000030500000000, -0.0003597900000000 ] - [ 0.0004255400000000, -0.0000071200000000, 0.0001490900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0042774500000000, 0.0513161600000000, 0.0150338800000000 ] - [ -0.0001560700000000, -0.0000271000000000, -0.0000887700000000 ] - [ 0.0011508000000000, -0.0126579100000000, -0.0002151000000000 ] - [ 0.0001423500000000, 0.0000385700000000, -0.0000324400000000 ] - [ 0.0000430700000000, 0.0001144300000000, -0.0000239800000000 ] - [ 0.0009002800000000, -0.0004862000000000, 0.0004158600000000 ] - [ 0.0001377800000000, 0.0000727900000000, -0.0000380000000000 ] - [ 0.0001541300000000, -0.0006906300000000, -0.0028749000000000 ] - [ -0.0001768200000000, 0.0000164700000000, -0.0000824200000000 ] - [ 0.0001903100000000, 0.0000045100000000, -0.0001876200000000 ] - [ -0.0000902500000000, -0.0000013200000000, -0.0001911400000000 ] - [ 0.0000407100000000, -0.0001108400000000, -0.0000222500000000 ] - [ -0.0001790200000000, 0.0000023500000000, 0.0001703100000000 ] - [ 0.0011677400000000, 0.0033459300000000, -0.0000615100000000 ] - [ 0.0033208300000000, -0.0024502800000000, 0.0040979000000000 ] - [ -0.0034844300000000, 0.0039261400000000, 0.0009364000000000 ] - [ -0.0008160200000000, -0.0026962700000000, 0.0004925100000000 ] - [ -0.0014600000000000, 0.0000129300000000, -0.0004984800000000 ] - [ 0.0001351500000000, -0.0000661500000000, -0.0000378100000000 ] - [ 0.0000023800000000, -0.0012600400000000, 0.0004333700000000 ] - [ -0.0000544500000000, -0.0000740600000000, 0.0000520900000000 ] - [ -0.0001221500000000, -0.0000226100000000, -0.0001001800000000 ] - [ -0.0000534500000000, 0.0000764600000000, 0.0000540300000000 ] - [ 0.0002474500000000, 0.0000028800000000, 0.0000261100000000 ] - [ -0.0000010400000000, 0.0000573500000000, -0.0000005600000000 ] - [ -0.0001732700000000, 0.0000001500000000, -0.0000177600000000 ] - [ 0.0001462500000000, 0.0000433800000000, -0.0000476300000000 ] - [ -0.0001078200000000, -0.0000005100000000, 0.0002014300000000 ] - [ -0.0000942900000000, 0.0000148900000000, -0.0000814700000000 ] - [ 0.0002230200000000, 0.0000042500000000, -0.0001624900000000 ] - [ -0.0000651900000000, 0.0000022600000000, -0.0001855800000000 ] - [ -0.0000019200000000, -0.0000550900000000, -0.0000033400000000 ] - [ -0.0009684200000000, 0.0000047000000000, -0.0001700200000000 ] - [ 0.0001607100000000, 0.0000110000000000, 0.0000942200000000 ] - [ 0.0001495300000000, 0.0000010400000000, 0.0001944100000000 ] - [ 0.0000106400000000, -0.0001243500000000, 0.0000412400000000 ] - [ 0.0000039600000000, 0.0001209800000000, 0.0000373500000000 ] - [ 0.0002403400000000, -0.0000011300000000, -0.0001579100000000 ] - [ 0.0001448500000000, -0.0000373800000000, -0.0000464300000000 ] - [ 0.0001608100000000, -0.0000036800000000, 0.0000909200000000 ] - [ -0.0035719700000000, -0.0118583200000000, -0.0208574400000000 ] - [ 0.0001433000000000, 0.0000040300000000, -0.0001306000000000 ] - [ 0.0004805800000000, -0.0000084100000000, -0.0001229600000000 ] - [ -0.0036788900000000, 0.0008018300000000, -0.0014914200000000 ] - [ 0.0000182800000000, -0.0000054500000000, 0.0001602400000000 ] - [ -0.0000815300000000, 0.0000026000000000, -0.0002912900000000 ] - [ 0.0000375900000000, -0.0000015100000000, 0.0000757700000000 ] - [ 0.0001808900000000, 0.0000048500000000, -0.0000362300000000 ] - [ 0.0045851800000000, -0.0006995800000000, 0.0036119900000000 ] - [ 0.0001753000000000, 0.0000022600000000, -0.0001515500000000 ] - [ -0.0000319400000000, 0.0000055300000000, 0.0001690600000000 ] - [ 0.0002044700000000, 0.0000018400000000, 0.0002682000000000 ] - [ 0.0017396400000000, 0.0004236900000000, 0.0021165800000000 ] - [ 0.0001537600000000, -0.0006872600000000, 0.0001423300000000 ] - [ 0.0001906500000000, -0.0003922000000000, -0.0005129100000000 ] - [ -0.0004759500000000, -0.0056072400000000, 0.0017307500000000 ] - [ 0.0003173000000000, 0.0013130100000000, 0.0000915000000000 ] - [ 0.0001612600000000, 0.0007059600000000, 0.0001575000000000 ] - [ -0.0000423800000000, 0.0002842200000000, 0.0000235800000000 ] - [ 0.0001676200000000, -0.0000036000000000, 0.0001144200000000 ] - [ 0.0002432000000000, -0.0004577900000000, -0.0004491400000000 ] - [ -0.0010748100000000, 0.0042168400000000, 0.0008144800000000 ] - [ -0.0004608500000000, -0.0005067500000000, 0.0000791400000000 ] - [ 0.0000447000000000, -0.0074014200000000, 0.0000289100000000 ] - [ -0.0004292200000000, -0.0075548600000000, 0.0022885400000000 ] - [ 0.0002050700000000, 0.0000261100000000, 0.0000839000000000 ] - [ -0.0004600300000000, 0.0005036000000000, 0.0000761100000000 ] - [ -0.0015107500000000, 0.0002225200000000, 0.0002644100000000 ] - [ 0.0052061800000000, -0.0142452800000000, -0.0049487300000000 ] - [ 0.0009762300000000, 0.0040368900000000, 0.0005234000000000 ] - [ 0.0001587200000000, -0.0000022000000000, -0.0003345700000000 ] - [ 0.0002352000000000, 0.0000098400000000, -0.0002257500000000 ] - [ -0.0002752900000000, 0.0000155800000000, -0.0001506200000000 ] - [ 0.0002316500000000, -0.0007968200000000, 0.0001451400000000 ] - [ 0.0004395000000000, -0.0000027100000000, -0.0002941800000000 ] - [ -0.0002488700000000, 0.0000174300000000, 0.0003242200000000 ] - [ -0.0000649500000000, -0.0002839800000000, 0.0000073600000000 ] - [ 0.0002300600000000, 0.0008031800000000, 0.0001483800000000 ] - [ 0.0002745900000000, -0.0013191900000000, 0.0000537800000000 ] - [ 0.0005860000000000, 0.0000016200000000, 0.0002038900000000 ] - [ -0.0002625400000000, 0.0000005500000000, 0.0000367100000000 ] - [ 0.0003385800000000, -0.0004931700000000, -0.0000899900000000 ] - [ -0.0004188000000000, -0.0004396000000000, 0.0000969000000000 ] - [ -0.0003608500000000, -0.0008084200000000, -0.0001733600000000 ] - [ 0.0003350400000000, 0.0005018400000000, -0.0000951700000000 ] - [ 0.0001563900000000, 0.0000053700000000, -0.0000539300000000 ] - [ -0.0004092700000000, 0.0004404500000000, 0.0000985400000000 ] - [ -0.0006014900000000, 0.0000025600000000, 0.0002808200000000 ] - [ -0.0003628700000000, -0.0000166300000000, 0.0001507000000000 ] - [ -0.0003582400000000, 0.0008100500000000, -0.0001718200000000 ] - [ 0.0001942100000000, 0.0000070900000000, -0.0002992200000000 ] - [ 0.0001793300000000, -0.0000030200000000, -0.0005305800000000 ]- atom: 1 displacement: [ -0.0016676867133328, 0.0000000000000000, 0.0098599604982055 ] forces: - [ 0.0061678700000000, -0.0156013600000000, -0.0420808500000000 ] - [ 0.0000125400000000, -0.0000479500000000, -0.0000980400000000 ] - [ 0.0003448800000000, -0.0004152400000000, -0.0020514900000000 ] - [ 0.0002108300000000, 0.0000534400000000, -0.0001448000000000 ] - [ 0.0000150400000000, 0.0001189800000000, -0.0000290900000000 ] - [ -0.0000865000000000, -0.0002744500000000, -0.0003792700000000 ] - [ 0.0000923900000000, 0.0000721400000000, -0.0000521200000000 ] - [ -0.0022002700000000, 0.0032833800000000, 0.0097788500000000 ] - [ -0.0000774900000000, 0.0000411600000000, -0.0001200800000000 ] - [ 0.0001640100000000, 0.0000017000000000, -0.0001818400000000 ] - [ -0.0000950400000000, 0.0000012600000000, -0.0001302000000000 ] - [ 0.0000163200000000, -0.0001188700000000, -0.0000276700000000 ] - [ -0.0002143200000000, 0.0000002600000000, 0.0001785400000000 ] - [ -0.0088241700000000, 0.0006881000000000, 0.0024492900000000 ] - [ 0.0013492600000000, -0.0028272600000000, 0.0041638600000000 ] - [ -0.0076014200000000, -0.0019079200000000, 0.0019022200000000 ] - [ -0.0001249700000000, 0.0004775500000000, 0.0005482200000000 ] - [ 0.0004142900000000, -0.0000307500000000, -0.0003094400000000 ] - [ 0.0000877000000000, -0.0000705400000000, -0.0000535400000000 ] - [ -0.0006592400000000, -0.0001822200000000, -0.0001149200000000 ] - [ -0.0000893700000000, -0.0000722100000000, 0.0000468200000000 ] - [ -0.0001181100000000, -0.0000131300000000, -0.0000878000000000 ] - [ -0.0000850000000000, 0.0000716500000000, 0.0000482800000000 ] - [ 0.0002156800000000, 0.0000029500000000, 0.0000239500000000 ] - [ 0.0000476200000000, 0.0001418000000000, -0.0000338200000000 ] - [ -0.0002053600000000, -0.0000035500000000, -0.0000208700000000 ] - [ 0.0000898900000000, 0.0000832900000000, -0.0000442200000000 ] - [ -0.0001497100000000, -0.0000004600000000, 0.0001925900000000 ] - [ -0.0001092400000000, 0.0000078800000000, -0.0000771300000000 ] - [ 0.0001557100000000, 0.0000023500000000, -0.0001990900000000 ] - [ -0.0000943500000000, 0.0000010800000000, -0.0001898100000000 ] - [ 0.0000050700000000, -0.0001521200000000, -0.0000571500000000 ] - [ -0.0000350400000000, -0.0000851400000000, 0.0003566100000000 ] - [ 0.0001292900000000, 0.0000135800000000, 0.0000898300000000 ] - [ 0.0001087100000000, -0.0000016600000000, 0.0001902600000000 ] - [ -0.0000118500000000, -0.0001173600000000, 0.0000379400000000 ] - [ -0.0000158100000000, 0.0001165800000000, 0.0000342900000000 ] - [ 0.0002174600000000, -0.0000021100000000, -0.0001633300000000 ] - [ 0.0000873800000000, -0.0000805200000000, -0.0000413500000000 ] - [ 0.0001205000000000, -0.0000080400000000, 0.0000816600000000 ] - [ 0.0095978900000000, 0.0163902600000000, 0.0069463900000000 ] - [ 0.0000891400000000, 0.0000050000000000, -0.0001565000000000 ] - [ -0.0005748900000000, -0.0000794100000000, 0.0002809400000000 ] - [ 0.0028838000000000, 0.0022105900000000, 0.0023975900000000 ] - [ -0.0000558900000000, -0.0000100300000000, 0.0001476400000000 ] - [ 0.0001502600000000, 0.0000080100000000, -0.0000771900000000 ] - [ -0.0000647000000000, -0.0000043400000000, 0.0000541000000000 ] - [ 0.0000879700000000, 0.0000086500000000, -0.0000520700000000 ] - [ 0.0021896300000000, -0.0014845400000000, -0.0021522300000000 ] - [ 0.0001161900000000, 0.0000001500000000, -0.0001605300000000 ] - [ -0.0000965200000000, 0.0000013700000000, 0.0001577500000000 ] - [ 0.0000710400000000, 0.0001212100000000, -0.0002325900000000 ] - [ -0.0023073800000000, -0.0008925200000000, -0.0005807800000000 ] - [ 0.0004602700000000, -0.0008786300000000, 0.0001695700000000 ] - [ 0.0000272500000000, -0.0003656300000000, -0.0008037900000000 ] - [ -0.0028902800000000, -0.0018275500000000, 0.0074480100000000 ] - [ 0.0000017700000000, -0.0003263800000000, 0.0004512700000000 ] - [ 0.0004032500000000, 0.0008843700000000, 0.0001894900000000 ] - [ -0.0000001600000000, 0.0002890700000000, 0.0000061800000000 ] - [ 0.0002036300000000, -0.0000055500000000, 0.0001288300000000 ] - [ 0.0006501700000000, 0.0002424000000000, -0.0013203200000000 ] - [ -0.0001908500000000, -0.0017163500000000, -0.0003504600000000 ] - [ -0.0004284300000000, -0.0005001300000000, 0.0000899600000000 ] - [ 0.0052507800000000, -0.0009816400000000, 0.0073312600000000 ] - [ -0.0003581500000000, 0.0005915600000000, -0.0025019000000000 ] - [ 0.0001859600000000, 0.0000695200000000, -0.0002567500000000 ] - [ -0.0004272100000000, 0.0004937200000000, 0.0000884100000000 ] - [ 0.0004865600000000, -0.0001944700000000, 0.0002791300000000 ] - [ -0.0047619600000000, 0.0044244000000000, 0.0089496100000000 ] - [ -0.0004953700000000, 0.0002521900000000, 0.0003273500000000 ] - [ 0.0002082900000000, -0.0000067800000000, -0.0003187300000000 ] - [ 0.0003043100000000, 0.0000088900000000, -0.0001915500000000 ] - [ -0.0002199600000000, 0.0000080500000000, -0.0001264100000000 ] - [ 0.0002907700000000, -0.0007994300000000, 0.0001549700000000 ] - [ 0.0005087500000000, -0.0000039000000000, -0.0002895500000000 ] - [ -0.0002129400000000, 0.0000121100000000, 0.0003226000000000 ] - [ -0.0000160700000000, -0.0002897500000000, -0.0000044700000000 ] - [ 0.0002889100000000, 0.0008026700000000, 0.0001571300000000 ] - [ 0.0003466500000000, 0.0003669200000000, 0.0002632900000000 ] - [ 0.0000386400000000, 0.0000178500000000, 0.0001150000000000 ] - [ -0.0002139600000000, -0.0000049200000000, 0.0000447300000000 ] - [ 0.0003851400000000, -0.0004966500000000, -0.0000866200000000 ] - [ -0.0004250200000000, -0.0005312800000000, 0.0000748200000000 ] - [ -0.0003067600000000, -0.0008078400000000, -0.0001637400000000 ] - [ 0.0003924300000000, 0.0005061000000000, -0.0000877700000000 ] - [ 0.0001988900000000, 0.0000038500000000, -0.0000446500000000 ] - [ -0.0004271700000000, 0.0005268600000000, 0.0000773100000000 ] - [ -0.0005306200000000, 0.0000057600000000, 0.0002867200000000 ] - [ -0.0003088800000000, -0.0000118200000000, 0.0001817500000000 ] - [ -0.0003034600000000, 0.0008017300000000, -0.0001570000000000 ] - [ 0.0001986400000000, 0.0000115800000000, -0.0003438800000000 ] - [ 0.0003444800000000, -0.0000115800000000, -0.0000976200000000 ]- atom: 1 displacement: [ 0.0016676867133328, 0.0000000000000000, -0.0098599604982055 ] forces: - [ -0.0063942300000000, 0.0155871700000000, 0.0431928200000000 ] - [ -0.0003044600000000, 0.0000115100000000, -0.0000979400000000 ] - [ -0.0005406000000000, 0.0005231000000000, 0.0021574100000000 ] - [ 0.0002106300000000, -0.0000513900000000, 0.0001964800000000 ] - [ 0.0000135500000000, 0.0001167600000000, -0.0000351400000000 ] - [ -0.0003406100000000, 0.0002798000000000, 0.0003407200000000 ] - [ 0.0000991300000000, 0.0000755200000000, -0.0000409200000000 ] - [ 0.0018762300000000, -0.0031662200000000, -0.0093543600000000 ] - [ -0.0001849200000000, -0.0000189100000000, -0.0000491700000000 ] - [ 0.0001492700000000, 0.0000034200000000, -0.0001974500000000 ] - [ -0.0001110600000000, 0.0000001500000000, -0.0002494300000000 ] - [ 0.0000127000000000, -0.0001165800000000, -0.0000327200000000 ] - [ -0.0002144300000000, 0.0000003400000000, 0.0001737300000000 ] - [ 0.0091830400000000, -0.0006726200000000, -0.0022462300000000 ] - [ -0.0011011000000000, 0.0027845000000000, -0.0037914200000000 ] - [ 0.0075103700000000, 0.0016649000000000, -0.0018941400000000 ] - [ 0.0001002600000000, -0.0002426700000000, -0.0004925500000000 ] - [ 0.0000105200000000, 0.0000296800000000, -0.0000098800000000 ] - [ 0.0001020500000000, -0.0000722100000000, -0.0000376400000000 ] - [ 0.0009262000000000, 0.0001625400000000, 0.0002990600000000 ] - [ -0.0000865100000000, -0.0000706400000000, 0.0000502800000000 ] - [ -0.0001548500000000, -0.0000199400000000, -0.0001003300000000 ] - [ -0.0000854600000000, 0.0000694300000000, 0.0000526300000000 ] - [ 0.0002050100000000, 0.0000018200000000, 0.0000250100000000 ] - [ -0.0000240600000000, 0.0000984100000000, -0.0000231700000000 ] - [ -0.0002114300000000, -0.0000043300000000, -0.0000255900000000 ] - [ 0.0000921000000000, 0.0000624700000000, -0.0000504200000000 ] - [ -0.0001581100000000, -0.0000003900000000, 0.0001906700000000 ] - [ -0.0001466700000000, 0.0000141800000000, -0.0000897600000000 ] - [ 0.0001595000000000, 0.0000031000000000, -0.0001794500000000 ] - [ -0.0001108600000000, -0.0000000300000000, -0.0001879900000000 ] - [ 0.0000199000000000, -0.0000878400000000, 0.0000008500000000 ] - [ -0.0003910100000000, 0.0000906900000000, -0.0000196400000000 ] - [ 0.0001577500000000, 0.0000230100000000, 0.0001084500000000 ] - [ 0.0000987800000000, -0.0000020300000000, 0.0001912800000000 ] - [ -0.0000167700000000, -0.0001198700000000, 0.0000391700000000 ] - [ -0.0000307100000000, 0.0001019000000000, 0.0000376200000000 ] - [ 0.0002079400000000, -0.0000032300000000, -0.0001662500000000 ] - [ 0.0000910400000000, -0.0000602800000000, -0.0000516100000000 ] - [ 0.0001246200000000, -0.0000104300000000, 0.0000889700000000 ] - [ -0.0098702300000000, -0.0166222000000000, -0.0066643100000000 ] - [ 0.0000440800000000, 0.0000030400000000, -0.0001366300000000 ] - [ 0.0004349100000000, 0.0000749500000000, -0.0001770600000000 ] - [ -0.0027320100000000, -0.0022340000000000, -0.0025681300000000 ] - [ -0.0000801000000000, -0.0000124800000000, 0.0001470500000000 ] - [ -0.0000194800000000, -0.0000060600000000, -0.0002194400000000 ] - [ -0.0000863800000000, -0.0000027400000000, 0.0000536200000000 ] - [ 0.0000605100000000, 0.0000083900000000, -0.0000543100000000 ] - [ -0.0023971100000000, 0.0014823800000000, 0.0025280500000000 ] - [ 0.0001004600000000, 0.0000009900000000, -0.0001554200000000 ] - [ -0.0001160400000000, 0.0000024800000000, 0.0001607400000000 ] - [ 0.0001519500000000, -0.0001220400000000, -0.0000870200000000 ] - [ 0.0018955700000000, 0.0008999700000000, 0.0003242800000000 ] - [ 0.0001321800000000, -0.0007305400000000, 0.0001502400000000 ] - [ 0.0010354800000000, 0.0003694900000000, 0.0002372500000000 ] - [ 0.0025407400000000, 0.0018961300000000, -0.0068758600000000 ] - [ -0.0000008600000000, -0.0002519700000000, -0.0004491400000000 ] - [ 0.0001912600000000, 0.0007298200000000, 0.0001363900000000 ] - [ 0.0000167800000000, 0.0002841400000000, 0.0000089000000000 ] - [ 0.0002328700000000, -0.0000052300000000, 0.0001334400000000 ] - [ -0.0010937500000000, -0.0002450600000000, 0.0014353300000000 ] - [ 0.0010089500000000, 0.0007132300000000, 0.0001688000000000 ] - [ -0.0003781600000000, -0.0005138300000000, 0.0000858000000000 ] - [ -0.0058615100000000, -0.0006252200000000, -0.0077458900000000 ] - [ 0.0013246500000000, 0.0002250900000000, 0.0012810100000000 ] - [ 0.0002330500000000, -0.0000646700000000, 0.0001646900000000 ] - [ -0.0003694200000000, 0.0005119400000000, 0.0000809200000000 ] - [ -0.0015500400000000, 0.0001944800000000, 0.0002971300000000 ] - [ 0.0040229700000000, -0.0042573700000000, -0.0085832200000000 ] - [ -0.0000921200000000, 0.0013747200000000, -0.0006380000000000 ] - [ 0.0002040700000000, -0.0000021900000000, -0.0003299600000000 ] - [ 0.0002949400000000, 0.0000056800000000, -0.0001802400000000 ] - [ -0.0002067600000000, 0.0000142700000000, -0.0001246200000000 ] - [ 0.0003073200000000, -0.0008109400000000, 0.0001662000000000 ] - [ 0.0005414800000000, -0.0000034900000000, -0.0002870500000000 ] - [ -0.0001934000000000, 0.0000163400000000, 0.0003253400000000 ] - [ -0.0000039700000000, -0.0002878300000000, -0.0000059900000000 ] - [ 0.0003047500000000, 0.0008128500000000, 0.0001677600000000 ] - [ -0.0003564900000000, 0.0002160100000000, -0.0002676300000000 ] - [ 0.0004040000000000, -0.0000151700000000, 0.0001490000000000 ] - [ -0.0002008500000000, -0.0000044000000000, 0.0000540100000000 ] - [ 0.0004094700000000, -0.0005002800000000, -0.0000791800000000 ] - [ -0.0003823500000000, -0.0004797900000000, 0.0000972200000000 ] - [ -0.0002916800000000, -0.0008082600000000, -0.0001614700000000 ] - [ 0.0004157500000000, 0.0005109500000000, -0.0000827800000000 ] - [ 0.0002187900000000, 0.0000026900000000, -0.0000476400000000 ] - [ -0.0003682500000000, 0.0004807800000000, 0.0000946500000000 ] - [ -0.0005145600000000, 0.0000045900000000, 0.0002913800000000 ] - [ -0.0002835500000000, -0.0000179000000000, 0.0001937200000000 ] - [ -0.0002871900000000, 0.0008027500000000, -0.0001554700000000 ] - [ 0.0002111000000000, -0.0000058900000000, -0.0003035900000000 ] - [ 0.0002554300000000, 0.0000065600000000, -0.0002747900000000 ]- atom: 2 displacement: [ 0.0099999817982353, 0.0000000000000000, 0.0000190797002540 ] forces: - [ 0.0009483700000000, -0.0000948300000000, 0.0003596500000000 ] - [ -0.0613137500000000, -0.0010199500000000, 0.0057581400000000 ] - [ 0.0006433400000000, 0.0000428700000000, 0.0002093700000000 ] - [ -0.0033850800000000, -0.0030518600000000, 0.0032560400000000 ] - [ 0.0009380200000000, -0.0001090700000000, 0.0008595400000000 ] - [ 0.0044682100000000, 0.0054107700000000, 0.0008185100000000 ] - [ 0.0070602700000000, -0.0009784500000000, -0.0080689100000000 ] - [ 0.0007248000000000, -0.0001355300000000, 0.0002205600000000 ] - [ -0.0056006300000000, -0.0003507200000000, -0.0000581600000000 ] - [ -0.0015166000000000, -0.0040526800000000, 0.0034395100000000 ] - [ -0.0074301200000000, 0.0019630800000000, 0.0002097100000000 ] - [ 0.0000479200000000, 0.0001942600000000, -0.0000158000000000 ] - [ 0.0004157200000000, -0.0000293200000000, 0.0001963200000000 ] - [ 0.0010122600000000, 0.0002507200000000, 0.0011389000000000 ] - [ 0.0008310800000000, 0.0003040300000000, -0.0002491800000000 ] - [ 0.0005317200000000, -0.0002194900000000, 0.0001635300000000 ] - [ 0.0004907100000000, 0.0002229400000000, 0.0001458900000000 ] - [ 0.0008150900000000, -0.0000032700000000, -0.0000497100000000 ] - [ -0.0021932800000000, -0.0002112700000000, -0.0012481600000000 ] - [ 0.0003734000000000, -0.0002627800000000, 0.0003323200000000 ] - [ 0.0006895600000000, -0.0001124200000000, 0.0001852700000000 ] - [ 0.0007195900000000, -0.0000401600000000, 0.0000495000000000 ] - [ 0.0006941400000000, 0.0001099300000000, 0.0001854000000000 ] - [ 0.0009564200000000, -0.0000002800000000, 0.0001399800000000 ] - [ 0.0005330500000000, 0.0000111600000000, 0.0001116400000000 ] - [ 0.0005343800000000, -0.0000016500000000, 0.0001016000000000 ] - [ 0.0009119600000000, 0.0000360600000000, 0.0000988900000000 ] - [ 0.0007547100000000, -0.0000034800000000, 0.0003557700000000 ] - [ 0.0007209000000000, 0.0000365900000000, 0.0000570600000000 ] - [ 0.0010781600000000, 0.0000026600000000, -0.0000265100000000 ] - [ 0.0008479000000000, -0.0000004600000000, -0.0000952900000000 ] - [ 0.0005331900000000, -0.0000112900000000, 0.0001141400000000 ] - [ 0.0003862200000000, 0.0000003400000000, 0.0002641700000000 ] - [ 0.0009522400000000, -0.0000164400000000, 0.0002237300000000 ] - [ 0.0010513400000000, -0.0000002500000000, 0.0002821000000000 ] - [ 0.0005168900000000, -0.0002241400000000, 0.0001764400000000 ] - [ 0.0004952300000000, 0.0002240000000000, 0.0001596200000000 ] - [ 0.0008704500000000, -0.0000441100000000, 0.0000161000000000 ] - [ 0.0009121700000000, -0.0000342600000000, 0.0000996300000000 ] - [ 0.0009472200000000, 0.0000204100000000, 0.0002155000000000 ] - [ 0.0015088900000000, 0.0001918400000000, 0.0005247400000000 ] - [ 0.0055879500000000, 0.0087258300000000, -0.0006951100000000 ] - [ -0.0073516500000000, 0.0004036500000000, -0.0064609500000000 ] - [ 0.0057909200000000, -0.0051318600000000, -0.0023861900000000 ] - [ 0.0016698200000000, -0.0000034400000000, 0.0004596600000000 ] - [ 0.0017706100000000, 0.0000004800000000, 0.0001461300000000 ] - [ 0.0021783600000000, -0.0000025400000000, 0.0004255000000000 ] - [ 0.0023260900000000, 0.0000053300000000, 0.0003212700000000 ] - [ 0.0013683600000000, -0.0000056100000000, 0.0004082900000000 ] - [ 0.0017087700000000, -0.0003931000000000, -0.0006330700000000 ] - [ 0.0013539900000000, 0.0000569900000000, 0.0003543000000000 ] - [ 0.0015952400000000, 0.0000013000000000, 0.0000320000000000 ] - [ -0.0013646400000000, -0.0000327500000000, -0.0005044200000000 ] - [ 0.0058154000000000, -0.0015853100000000, 0.0030496100000000 ] - [ 0.0161092700000000, -0.0095936000000000, -0.0012332400000000 ] - [ -0.0012214600000000, -0.0000999200000000, 0.0001762700000000 ] - [ -0.0011315400000000, -0.0003042700000000, 0.0002863100000000 ] - [ 0.0133094800000000, 0.0023815000000000, 0.0020820400000000 ] - [ -0.0011627500000000, 0.0003242100000000, 0.0004572200000000 ] - [ -0.0019397900000000, -0.0016028900000000, -0.0002710000000000 ] - [ -0.0004616900000000, 0.0004741300000000, 0.0008094700000000 ] - [ -0.0006541500000000, -0.0003885300000000, -0.0002239600000000 ] - [ 0.0134870100000000, -0.0002663400000000, 0.0024351600000000 ] - [ -0.0037483500000000, -0.0002837300000000, -0.0000557500000000 ] - [ -0.0008670700000000, 0.0002518400000000, -0.0002688900000000 ] - [ 0.0148452300000000, 0.0117004000000000, -0.0042896600000000 ] - [ 0.0031707700000000, -0.0026219900000000, 0.0002187500000000 ] - [ 0.0024554700000000, -0.0006688300000000, -0.0006581900000000 ] - [ -0.0018306600000000, 0.0000894800000000, -0.0006401500000000 ] - [ -0.0013705300000000, 0.0014759800000000, -0.0003333200000000 ] - [ -0.0004743900000000, -0.0021197900000000, 0.0010068100000000 ] - [ 0.0005349400000000, 0.0010945300000000, -0.0002386300000000 ] - [ -0.0014646200000000, 0.0000279800000000, -0.0005180000000000 ] - [ -0.0010335700000000, -0.0006255100000000, -0.0001456100000000 ] - [ -0.0012591900000000, -0.0000090400000000, -0.0004299800000000 ] - [ -0.0011929800000000, 0.0000226100000000, 0.0002444300000000 ] - [ -0.0009822100000000, -0.0002303700000000, 0.0002413300000000 ] - [ -0.0010401600000000, 0.0006279200000000, -0.0001407200000000 ] - [ -0.0011265800000000, 0.0003063900000000, 0.0002810600000000 ] - [ -0.0009971500000000, 0.0000019900000000, -0.0002596400000000 ] - [ -0.0013880400000000, -0.0000088200000000, -0.0001125200000000 ] - [ -0.0009665600000000, -0.0003598500000000, -0.0002392000000000 ] - [ -0.0017262400000000, -0.0006177500000000, -0.0000561300000000 ] - [ -0.0016442900000000, -0.0010004100000000, -0.0004733700000000 ] - [ -0.0009554500000000, 0.0003671900000000, -0.0002443400000000 ] - [ -0.0009637800000000, 0.0000080100000000, -0.0002159900000000 ] - [ -0.0017165000000000, 0.0006162900000000, -0.0000561900000000 ] - [ -0.0023210000000000, 0.0000094300000000, 0.0001483300000000 ] - [ -0.0016993200000000, -0.0000256600000000, -0.0005960400000000 ] - [ -0.0016435800000000, 0.0009943200000000, -0.0004645800000000 ] - [ -0.0007630700000000, 0.0000061300000000, -0.0003978200000000 ] - [ -0.0010907900000000, -0.0000054700000000, -0.0009988500000000 ]- atom: 2 displacement: [ -0.0099999817982353, 0.0000000000000000, -0.0000190797002540 ] forces: - [ -0.0011658900000000, -0.0000561100000000, -0.0002769700000000 ] - [ 0.0602339300000000, 0.0006254200000000, -0.0065949900000000 ] - [ -0.0008499700000000, 0.0001035900000000, -0.0001212000000000 ] - [ 0.0038620200000000, 0.0030453000000000, -0.0032019800000000 ] - [ -0.0009046100000000, 0.0003503000000000, -0.0009264200000000 ] - [ -0.0049533200000000, -0.0055215100000000, -0.0008687800000000 ] - [ -0.0067193400000000, 0.0011170200000000, 0.0078468300000000 ] - [ -0.0010475800000000, 0.0001314300000000, 0.0001651000000000 ] - [ 0.0053516000000000, 0.0003798000000000, -0.0001032500000000 ] - [ 0.0018153700000000, 0.0040355600000000, -0.0037917000000000 ] - [ 0.0071889000000000, -0.0020107200000000, -0.0006307000000000 ] - [ -0.0000202700000000, -0.0004373900000000, -0.0000503000000000 ] - [ -0.0008441200000000, 0.0000318400000000, 0.0001400800000000 ] - [ -0.0007890200000000, -0.0002282300000000, -0.0009822900000000 ] - [ -0.0006290900000000, -0.0003118000000000, 0.0006321300000000 ] - [ -0.0005633000000000, -0.0000234100000000, -0.0001043500000000 ] - [ -0.0005202600000000, 0.0000183900000000, -0.0000827000000000 ] - [ -0.0003947000000000, -0.0000011100000000, -0.0002716200000000 ] - [ 0.0023918000000000, 0.0000621000000000, 0.0011573100000000 ] - [ -0.0001286000000000, 0.0002422800000000, -0.0001698500000000 ] - [ -0.0008996100000000, -0.0000391600000000, -0.0000984200000000 ] - [ -0.0009589600000000, 0.0000140800000000, -0.0002239300000000 ] - [ -0.0008970500000000, 0.0000368600000000, -0.0000972300000000 ] - [ -0.0005397600000000, 0.0000006600000000, -0.0001011000000000 ] - [ -0.0005069400000000, 0.0002324000000000, -0.0001771800000000 ] - [ -0.0009569900000000, -0.0000023400000000, -0.0001435100000000 ] - [ -0.0007085700000000, 0.0001146400000000, -0.0001868500000000 ] - [ -0.0010742600000000, -0.0000026900000000, 0.0000300300000000 ] - [ -0.0009610700000000, -0.0000178100000000, -0.0002167600000000 ] - [ -0.0007616700000000, 0.0000031700000000, -0.0003601100000000 ] - [ -0.0010544900000000, -0.0000003800000000, -0.0002832700000000 ] - [ -0.0005053800000000, -0.0002330800000000, -0.0001734600000000 ] - [ -0.0008147500000000, 0.0000030300000000, 0.0000626100000000 ] - [ -0.0007085800000000, 0.0000431900000000, -0.0000460200000000 ] - [ -0.0008508700000000, -0.0000012200000000, 0.0000958700000000 ] - [ -0.0005453500000000, -0.0000175200000000, -0.0001093700000000 ] - [ -0.0005328700000000, 0.0000219700000000, -0.0001019800000000 ] - [ -0.0004494600000000, 0.0000395700000000, -0.0003418300000000 ] - [ -0.0007090100000000, -0.0001130400000000, -0.0001860900000000 ] - [ -0.0007199600000000, -0.0000365400000000, -0.0000562400000000 ] - [ -0.0016341100000000, -0.0001989200000000, -0.0002323100000000 ] - [ -0.0054005800000000, -0.0087071200000000, 0.0004448000000000 ] - [ 0.0072827100000000, -0.0003906800000000, 0.0065821800000000 ] - [ -0.0056152800000000, 0.0052554100000000, 0.0023224200000000 ] - [ -0.0018008800000000, -0.0000104000000000, -0.0001705900000000 ] - [ -0.0016523600000000, -0.0000003700000000, -0.0004396700000000 ] - [ -0.0023348500000000, -0.0000018200000000, -0.0003256500000000 ] - [ -0.0021794800000000, 0.0000040400000000, -0.0004248900000000 ] - [ -0.0015942200000000, 0.0000050100000000, -0.0000866900000000 ] - [ -0.0014874900000000, 0.0003953700000000, 0.0003157300000000 ] - [ -0.0015772000000000, -0.0000608400000000, -0.0000336600000000 ] - [ -0.0013766100000000, -0.0000029200000000, -0.0003542200000000 ] - [ 0.0009363000000000, 0.0000282500000000, 0.0002549300000000 ] - [ -0.0052002500000000, -0.0000498500000000, -0.0027229800000000 ] - [ -0.0153172000000000, 0.0100756200000000, 0.0007566400000000 ] - [ 0.0007942400000000, 0.0000966600000000, 0.0004692200000000 ] - [ 0.0011301100000000, -0.0002901400000000, -0.0002901000000000 ] - [ -0.0127003800000000, -0.0007462700000000, -0.0017037400000000 ] - [ 0.0011820200000000, 0.0002643900000000, -0.0004399100000000 ] - [ 0.0023738200000000, 0.0016083400000000, 0.0005272900000000 ] - [ 0.0000167300000000, -0.0004982200000000, -0.0007177200000000 ] - [ 0.0014144300000000, -0.0006029300000000, 0.0000425500000000 ] - [ -0.0131830700000000, -0.0005511400000000, -0.0018307700000000 ] - [ 0.0031839500000000, -0.0013654600000000, -0.0002785100000000 ] - [ 0.0016440400000000, 0.0007449300000000, 0.0000920600000000 ] - [ -0.0144187400000000, -0.0118930800000000, 0.0043345300000000 ] - [ -0.0039272600000000, 0.0035992900000000, -0.0000436400000000 ] - [ -0.0035456700000000, 0.0006943900000000, 0.0012505300000000 ] - [ 0.0012149700000000, -0.0000862400000000, 0.0010168500000000 ] - [ 0.0007326800000000, 0.0001406800000000, 0.0000083600000000 ] - [ 0.0008888400000000, 0.0021026700000000, -0.0016524900000000 ] - [ 0.0000732100000000, -0.0010771400000000, -0.0001332000000000 ] - [ 0.0010440600000000, 0.0000000400000000, 0.0002667900000000 ] - [ 0.0016405900000000, -0.0009934600000000, 0.0004615000000000 ] - [ 0.0023089000000000, -0.0000064000000000, -0.0001457500000000 ] - [ 0.0007686800000000, 0.0000113300000000, 0.0004024600000000 ] - [ 0.0009544800000000, -0.0003658300000000, -0.0002555600000000 ] - [ 0.0016369600000000, 0.0009950800000000, 0.0004655500000000 ] - [ 0.0011193300000000, 0.0002878500000000, -0.0002880900000000 ] - [ 0.0014195000000000, 0.0000000500000000, 0.0005242400000000 ] - [ 0.0009664400000000, -0.0000045200000000, 0.0002074100000000 ] - [ 0.0017335700000000, -0.0006265300000000, 0.0000648700000000 ] - [ 0.0009414400000000, -0.0003798600000000, 0.0002360700000000 ] - [ 0.0010339700000000, -0.0006223600000000, 0.0001442300000000 ] - [ 0.0017291200000000, 0.0006343700000000, 0.0000617100000000 ] - [ 0.0013838800000000, 0.0000054100000000, 0.0001260900000000 ] - [ 0.0009479500000000, 0.0003785700000000, 0.0002360000000000 ] - [ 0.0012708500000000, 0.0000041000000000, 0.0004243600000000 ] - [ 0.0010860000000000, -0.0000155500000000, 0.0009718500000000 ] - [ 0.0010382100000000, 0.0006175100000000, 0.0001493300000000 ] - [ 0.0011890400000000, 0.0000028200000000, -0.0002576400000000 ] - [ 0.0017066600000000, -0.0000026400000000, 0.0006177400000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001632400000000, -0.0000695400000000, -0.0000025800000000 ] - [ -0.0001212400000000, -0.0787560000000000, 0.0080832700000000 ] - [ -0.0001530400000000, 0.0000718600000000, 0.0000021800000000 ] - [ -0.0022713600000000, 0.0037644600000000, -0.0072715100000000 ] - [ 0.0000656300000000, 0.0000241500000000, 0.0000815000000000 ] - [ 0.0053676300000000, 0.0016846400000000, 0.0009660400000000 ] - [ -0.0014197500000000, -0.0032395900000000, 0.0004056400000000 ] - [ -0.0003625600000000, -0.0000023800000000, 0.0001489800000000 ] - [ 0.0002289800000000, 0.0100236100000000, -0.0001056700000000 ] - [ -0.0045287500000000, 0.0012988300000000, -0.0036858300000000 ] - [ 0.0013264400000000, 0.0042260800000000, 0.0081717600000000 ] - [ -0.0000338100000000, 0.0000183500000000, -0.0000501200000000 ] - [ -0.0001803900000000, -0.0000049800000000, 0.0001993900000000 ] - [ 0.0003625700000000, -0.0011129200000000, -0.0000956600000000 ] - [ 0.0009652100000000, -0.0000071800000000, 0.0007042000000000 ] - [ -0.0000365000000000, -0.0001202300000000, 0.0000353200000000 ] - [ -0.0000346000000000, 0.0001202300000000, 0.0000369700000000 ] - [ 0.0001909800000000, -0.0000032000000000, -0.0001716500000000 ] - [ -0.0007578500000000, 0.0011791100000000, -0.0000239700000000 ] - [ 0.0003759400000000, 0.0010602000000000, -0.0001092300000000 ] - [ -0.0001120400000000, -0.0000697800000000, 0.0000427500000000 ] - [ -0.0001699800000000, -0.0000184200000000, -0.0001017400000000 ] - [ -0.0001115200000000, 0.0000680400000000, 0.0000450500000000 ] - [ 0.0001837900000000, 0.0000016100000000, 0.0000182200000000 ] - [ -0.0000039800000000, 0.0001227500000000, -0.0000359300000000 ] - [ -0.0002320400000000, -0.0000035100000000, -0.0000271200000000 ] - [ 0.0000583100000000, 0.0000734700000000, -0.0000539200000000 ] - [ -0.0001830500000000, -0.0000013700000000, 0.0001852200000000 ] - [ -0.0001582900000000, 0.0000107700000000, -0.0000896000000000 ] - [ 0.0001264400000000, 0.0000024200000000, -0.0001965900000000 ] - [ -0.0001353600000000, 0.0000000900000000, -0.0001928300000000 ] - [ -0.0000035500000000, -0.0001237100000000, -0.0000367700000000 ] - [ -0.0002327800000000, 0.0000006900000000, 0.0001643500000000 ] - [ 0.0001234700000000, 0.0000232300000000, 0.0000975400000000 ] - [ 0.0000728000000000, -0.0000019900000000, 0.0001863000000000 ] - [ -0.0000278600000000, -0.0001163600000000, 0.0000365400000000 ] - [ -0.0000426300000000, 0.0001042000000000, 0.0000267300000000 ] - [ 0.0002152100000000, -0.0000080700000000, -0.0001777500000000 ] - [ 0.0000558600000000, -0.0000717300000000, -0.0000526300000000 ] - [ 0.0000935000000000, -0.0000089200000000, 0.0000780100000000 ] - [ 0.0000299000000000, -0.0000077600000000, 0.0000838700000000 ] - [ 0.0033316100000000, 0.0018012300000000, 0.0010582900000000 ] - [ 0.0021455000000000, 0.0021902600000000, -0.0039700400000000 ] - [ -0.0089484500000000, 0.0010294400000000, 0.0010560000000000 ] - [ -0.0001166000000000, -0.0000106000000000, 0.0001387200000000 ] - [ 0.0000060200000000, 0.0000001500000000, -0.0001584900000000 ] - [ -0.0001517700000000, -0.0000033600000000, 0.0000381800000000 ] - [ 0.0000004300000000, 0.0000066900000000, -0.0000646000000000 ] - [ -0.0001589800000000, -0.0000006200000000, 0.0001232800000000 ] - [ -0.0000464400000000, -0.0000721000000000, -0.0005672300000000 ] - [ -0.0001634000000000, 0.0000144800000000, 0.0001327300000000 ] - [ 0.0000591600000000, -0.0000003800000000, -0.0001643500000000 ] - [ -0.0001965400000000, -0.0000004800000000, -0.0001161900000000 ] - [ 0.0005485500000000, -0.0061127300000000, 0.0010974800000000 ] - [ -0.0090706200000000, 0.0204794100000000, 0.0021468700000000 ] - [ -0.0001350300000000, 0.0000024700000000, 0.0003799700000000 ] - [ 0.0000429300000000, -0.0002846500000000, -0.0000052100000000 ] - [ 0.0004800800000000, 0.0111527000000000, 0.0023247100000000 ] - [ 0.0000090300000000, 0.0002707200000000, 0.0000825800000000 ] - [ 0.0004618100000000, -0.0001375200000000, 0.0000855500000000 ] - [ 0.0018632300000000, -0.0000199900000000, -0.0008700400000000 ] - [ 0.0003009700000000, -0.0006800000000000, -0.0000936200000000 ] - [ 0.0003056800000000, 0.0062655400000000, 0.0003178400000000 ] - [ 0.0010693100000000, 0.0018187500000000, 0.0000874700000000 ] - [ 0.0003098100000000, 0.0006830000000000, -0.0000897000000000 ] - [ 0.0107549400000000, 0.0258762400000000, -0.0112638000000000 ] - [ -0.0004786300000000, -0.0023496800000000, -0.0002102900000000 ] - [ -0.0036602400000000, -0.0002168400000000, 0.0009886600000000 ] - [ -0.0002127300000000, -0.0000013200000000, 0.0002320800000000 ] - [ 0.0011486700000000, -0.0017537700000000, 0.0000889900000000 ] - [ -0.0000518800000000, -0.0002209000000000, -0.0003038100000000 ] - [ 0.0012903100000000, 0.0000922400000000, -0.0000001600000000 ] - [ -0.0001816200000000, 0.0000127500000000, -0.0001117900000000 ] - [ 0.0003462800000000, -0.0008116100000000, 0.0001694300000000 ] - [ 0.0005832400000000, -0.0000033400000000, -0.0002822100000000 ] - [ -0.0001724100000000, 0.0000160200000000, 0.0003237600000000 ] - [ 0.0000450100000000, -0.0002470600000000, 0.0000104800000000 ] - [ 0.0003445300000000, 0.0008130400000000, 0.0001707600000000 ] - [ 0.0000404200000000, 0.0002836700000000, -0.0000069600000000 ] - [ 0.0002623900000000, 0.0000017500000000, 0.0001407700000000 ] - [ -0.0001682300000000, -0.0000033400000000, 0.0000505700000000 ] - [ 0.0004393200000000, -0.0005029900000000, -0.0000787700000000 ] - [ -0.0003557100000000, -0.0005012700000000, 0.0000896200000000 ] - [ -0.0002558500000000, -0.0008018300000000, -0.0001516200000000 ] - [ 0.0004448400000000, 0.0005106400000000, -0.0000822100000000 ] - [ 0.0002491700000000, 0.0000022600000000, -0.0000380300000000 ] - [ -0.0003495400000000, 0.0004990400000000, 0.0000903800000000 ] - [ -0.0004603800000000, 0.0000026900000000, 0.0002906500000000 ] - [ -0.0002490500000000, -0.0000157600000000, 0.0002215900000000 ] - [ -0.0002523400000000, 0.0007963000000000, -0.0001479500000000 ] - [ 0.0002384400000000, 0.0000033400000000, -0.0003203000000000 ] - [ 0.0003482500000000, -0.0000038500000000, -0.0001587900000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000308300000000, -0.0000761800000000, 0.0000918600000000 ] - [ 0.0015864100000000, 0.0787297800000000, -0.0095193900000000 ] - [ -0.0000352600000000, 0.0000728200000000, 0.0000912800000000 ] - [ 0.0026435100000000, -0.0037740300000000, 0.0072336600000000 ] - [ -0.0000355000000000, 0.0002116200000000, -0.0001565700000000 ] - [ -0.0058199400000000, -0.0016708200000000, -0.0010076500000000 ] - [ 0.0015709400000000, 0.0034055400000000, -0.0004649200000000 ] - [ 0.0000449800000000, -0.0000023700000000, 0.0002325500000000 ] - [ -0.0004958900000000, -0.0100339300000000, -0.0000439300000000 ] - [ 0.0048750100000000, -0.0012684800000000, 0.0033405100000000 ] - [ -0.0015234600000000, -0.0042468700000000, -0.0084624500000000 ] - [ 0.0000714700000000, -0.0002524600000000, -0.0000098700000000 ] - [ -0.0002445500000000, 0.0000068400000000, 0.0001461100000000 ] - [ -0.0001185500000000, 0.0011339200000000, 0.0002740300000000 ] - [ -0.0007597400000000, 0.0000057400000000, -0.0003252600000000 ] - [ 0.0000126200000000, -0.0001219800000000, 0.0000216400000000 ] - [ 0.0000132300000000, 0.0001243700000000, 0.0000234700000000 ] - [ 0.0002339100000000, -0.0000008400000000, -0.0001527500000000 ] - [ 0.0009827300000000, -0.0013257200000000, -0.0000711600000000 ] - [ -0.0001412600000000, -0.0010759900000000, 0.0002685600000000 ] - [ -0.0000771200000000, -0.0000767000000000, 0.0000484900000000 ] - [ -0.0001000400000000, -0.0000140400000000, -0.0000860700000000 ] - [ -0.0000729800000000, 0.0000770700000000, 0.0000486400000000 ] - [ 0.0002365000000000, 0.0000013500000000, 0.0000232900000000 ] - [ 0.0000306400000000, 0.0001172500000000, -0.0000252600000000 ] - [ -0.0001855900000000, -0.0000004000000000, -0.0000160900000000 ] - [ 0.0001270700000000, 0.0000748700000000, -0.0000403000000000 ] - [ -0.0001283000000000, -0.0000017000000000, 0.0001987500000000 ] - [ -0.0000898300000000, 0.0000100300000000, -0.0000750500000000 ] - [ 0.0001916800000000, 0.0000037300000000, -0.0001861600000000 ] - [ -0.0000695600000000, 0.0000010000000000, -0.0001866500000000 ] - [ 0.0000307200000000, -0.0001150200000000, -0.0000248600000000 ] - [ -0.0001933300000000, 0.0000022200000000, 0.0001638700000000 ] - [ 0.0001667600000000, 0.0000162600000000, 0.0000992700000000 ] - [ 0.0001337000000000, 0.0000003700000000, 0.0001930700000000 ] - [ 0.0000006100000000, -0.0001226700000000, 0.0000417800000000 ] - [ -0.0000097600000000, 0.0001177100000000, 0.0000379900000000 ] - [ 0.0002123000000000, 0.0000053000000000, -0.0001585400000000 ] - [ 0.0001258900000000, -0.0000706300000000, -0.0000398100000000 ] - [ 0.0001424400000000, -0.0000043400000000, 0.0000836000000000 ] - [ -0.0001523500000000, 0.0000019000000000, 0.0002117200000000 ] - [ -0.0031738200000000, -0.0018741700000000, -0.0013416700000000 ] - [ -0.0023198400000000, -0.0021260600000000, 0.0040258200000000 ] - [ 0.0090998900000000, -0.0009917600000000, -0.0011600200000000 ] - [ -0.0000137400000000, -0.0000073400000000, 0.0001522700000000 ] - [ 0.0001214800000000, 0.0000024400000000, -0.0001362900000000 ] - [ 0.0000003600000000, -0.0000020800000000, 0.0000648500000000 ] - [ 0.0001511300000000, 0.0000060900000000, -0.0000402300000000 ] - [ -0.0000623800000000, 0.0000011600000000, 0.0001965300000000 ] - [ 0.0002639100000000, 0.0000791400000000, 0.0002499300000000 ] - [ -0.0000514200000000, -0.0000143400000000, 0.0001847200000000 ] - [ 0.0001641100000000, 0.0000006300000000, -0.0001552400000000 ] - [ -0.0002365300000000, -0.0000015500000000, -0.0001473900000000 ] - [ 0.0000652100000000, 0.0044826600000000, -0.0007282800000000 ] - [ 0.0092583700000000, -0.0194241600000000, -0.0024944900000000 ] - [ -0.0002844100000000, 0.0000020700000000, 0.0002725700000000 ] - [ -0.0000377400000000, -0.0002974200000000, 0.0000080800000000 ] - [ 0.0000911800000000, -0.0095423700000000, -0.0019627300000000 ] - [ 0.0000142000000000, 0.0003034300000000, -0.0000651600000000 ] - [ -0.0000219600000000, 0.0001450300000000, 0.0001742600000000 ] - [ -0.0022688600000000, 0.0000124300000000, 0.0009612900000000 ] - [ 0.0004832200000000, -0.0003183700000000, -0.0000848200000000 ] - [ -0.0011329500000000, -0.0072687000000000, -0.0001402300000000 ] - [ -0.0016642300000000, -0.0034231500000000, -0.0004059300000000 ] - [ 0.0004841800000000, 0.0003229500000000, -0.0000814600000000 ] - [ -0.0110619300000000, -0.0270286500000000, 0.0120613900000000 ] - [ -0.0003547400000000, 0.0033679200000000, 0.0003682100000000 ] - [ 0.0026182700000000, 0.0002151300000000, -0.0004101800000000 ] - [ -0.0003964500000000, 0.0000008300000000, 0.0001445000000000 ] - [ -0.0017584100000000, 0.0033655400000000, -0.0004109200000000 ] - [ 0.0004687000000000, 0.0002281100000000, -0.0003506300000000 ] - [ -0.0006870400000000, -0.0000831800000000, -0.0003765200000000 ] - [ -0.0002449600000000, 0.0000178000000000, -0.0001432900000000 ] - [ 0.0002565100000000, -0.0007972900000000, 0.0001457300000000 ] - [ 0.0004620500000000, -0.0000073300000000, -0.0002929500000000 ] - [ -0.0002400300000000, 0.0000200100000000, 0.0003251800000000 ] - [ -0.0000733800000000, -0.0003325400000000, -0.0000248500000000 ] - [ 0.0002524600000000, 0.0008028000000000, 0.0001514500000000 ] - [ -0.0000398100000000, 0.0002996600000000, 0.0000060900000000 ] - [ 0.0001698300000000, 0.0000027400000000, 0.0001192500000000 ] - [ -0.0002476300000000, -0.0000058500000000, 0.0000388600000000 ] - [ 0.0003460700000000, -0.0004880300000000, -0.0000893300000000 ] - [ -0.0004424400000000, -0.0005017100000000, 0.0000811900000000 ] - [ -0.0003480200000000, -0.0008128600000000, -0.0001731600000000 ] - [ 0.0003483400000000, 0.0004995100000000, -0.0000945500000000 ] - [ 0.0001690000000000, 0.0000086100000000, -0.0000479800000000 ] - [ -0.0004327300000000, 0.0005016400000000, 0.0000820800000000 ] - [ -0.0005809700000000, 0.0000080200000000, 0.0002825300000000 ] - [ -0.0003498000000000, -0.0000237000000000, 0.0001526100000000 ] - [ -0.0003447100000000, 0.0008096200000000, -0.0001659900000000 ] - [ 0.0001761400000000, 0.0000048400000000, -0.0003294700000000 ] - [ 0.0002570200000000, -0.0000027500000000, -0.0002170200000000 ]- atom: 2 displacement: [ -0.0016676867133328, 0.0000000000000000, 0.0098599604982055 ] forces: - [ -0.0001668400000000, -0.0000953500000000, 0.0000038100000000 ] - [ 0.0161630800000000, 0.0090959400000000, -0.0586282600000000 ] - [ -0.0001746700000000, 0.0000897900000000, -0.0000123200000000 ] - [ 0.0043074300000000, -0.0065937200000000, 0.0044420100000000 ] - [ -0.0000930300000000, 0.0000797000000000, 0.0001851200000000 ] - [ 0.0003183500000000, 0.0005622300000000, -0.0021943100000000 ] - [ -0.0088562000000000, 0.0004156300000000, 0.0023203900000000 ] - [ -0.0001332800000000, -0.0000117300000000, 0.0002675000000000 ] - [ 0.0008272000000000, 0.0000994300000000, -0.0020320300000000 ] - [ 0.0028830200000000, -0.0021321200000000, 0.0018299700000000 ] - [ 0.0010347900000000, 0.0074200200000000, 0.0084174300000000 ] - [ -0.0000553600000000, -0.0000738800000000, 0.0001308700000000 ] - [ -0.0002290100000000, 0.0000014600000000, 0.0000897000000000 ] - [ 0.0010096500000000, -0.0002108600000000, 0.0001525700000000 ] - [ 0.0000438100000000, -0.0000158400000000, 0.0006094300000000 ] - [ -0.0000225100000000, -0.0001247000000000, 0.0000466700000000 ] - [ -0.0000246700000000, 0.0001241200000000, 0.0000474200000000 ] - [ 0.0002065100000000, -0.0000019400000000, -0.0001617400000000 ] - [ -0.0006419300000000, 0.0002988700000000, -0.0002391700000000 ] - [ 0.0003224100000000, 0.0002209100000000, -0.0002000100000000 ] - [ -0.0000938900000000, -0.0000720400000000, 0.0000475900000000 ] - [ -0.0001453400000000, -0.0000174500000000, -0.0000941600000000 ] - [ -0.0000928700000000, 0.0000697000000000, 0.0000498400000000 ] - [ 0.0002055400000000, 0.0000009900000000, 0.0000236900000000 ] - [ 0.0000119200000000, 0.0001209500000000, -0.0000290800000000 ] - [ -0.0002125600000000, -0.0000034700000000, -0.0000220500000000 ] - [ 0.0000932100000000, 0.0000743100000000, -0.0000426800000000 ] - [ -0.0001637000000000, -0.0000027300000000, 0.0001947700000000 ] - [ -0.0001218500000000, 0.0000065000000000, -0.0000763200000000 ] - [ 0.0001545200000000, 0.0000026500000000, -0.0001910300000000 ] - [ -0.0001084400000000, -0.0000003600000000, -0.0001868400000000 ] - [ 0.0000112700000000, -0.0001208400000000, -0.0000298900000000 ] - [ -0.0002146300000000, 0.0000011500000000, 0.0001672400000000 ] - [ 0.0001436000000000, 0.0000193000000000, 0.0001028600000000 ] - [ 0.0000962100000000, -0.0000007400000000, 0.0001916200000000 ] - [ -0.0000166300000000, -0.0001177200000000, 0.0000351100000000 ] - [ -0.0000278500000000, 0.0001122800000000, 0.0000245400000000 ] - [ 0.0002286100000000, -0.0000139100000000, -0.0001120100000000 ] - [ 0.0000918800000000, -0.0000722800000000, -0.0000411100000000 ] - [ 0.0001099100000000, -0.0000050400000000, 0.0000820000000000 ] - [ 0.0000224500000000, 0.0000044300000000, 0.0000767900000000 ] - [ 0.0004158300000000, 0.0011244500000000, -0.0014690300000000 ] - [ -0.0004357600000000, 0.0039170000000000, 0.0186040100000000 ] - [ -0.0036653700000000, 0.0011121400000000, 0.0014469800000000 ] - [ -0.0000644900000000, -0.0000070100000000, 0.0001569100000000 ] - [ 0.0000505400000000, 0.0000013000000000, -0.0001432400000000 ] - [ -0.0000909600000000, -0.0000024600000000, 0.0000515900000000 ] - [ 0.0000601900000000, 0.0000053700000000, -0.0000518000000000 ] - [ -0.0001180700000000, 0.0000003000000000, 0.0001254300000000 ] - [ 0.0001249800000000, -0.0001137000000000, -0.0006763200000000 ] - [ -0.0001438100000000, 0.0000088800000000, 0.0001758500000000 ] - [ 0.0000970600000000, -0.0000006100000000, -0.0001552200000000 ] - [ -0.0002350100000000, -0.0000029200000000, -0.0001320000000000 ] - [ 0.0000815600000000, -0.0021999200000000, -0.0018445600000000 ] - [ -0.0031564900000000, 0.0049728600000000, 0.0063002000000000 ] - [ -0.0001778500000000, -0.0000060100000000, 0.0003925300000000 ] - [ 0.0000133900000000, -0.0002905000000000, 0.0000065800000000 ] - [ -0.0016765000000000, 0.0001012300000000, 0.0074825400000000 ] - [ 0.0000620300000000, 0.0003271000000000, 0.0000902300000000 ] - [ -0.0001922900000000, -0.0003180400000000, -0.0000718900000000 ] - [ -0.0006945400000000, 0.0001705100000000, -0.0010777000000000 ] - [ 0.0002560800000000, -0.0005389400000000, -0.0000757100000000 ] - [ 0.0004814100000000, -0.0001981200000000, 0.0067564200000000 ] - [ 0.0004304700000000, -0.0005747500000000, 0.0002792300000000 ] - [ 0.0002594900000000, 0.0005282400000000, -0.0000671500000000 ] - [ -0.0080162600000000, -0.0159522600000000, 0.0093162000000000 ] - [ -0.0009993700000000, 0.0002272400000000, 0.0006350400000000 ] - [ -0.0022590800000000, -0.0015331500000000, -0.0019709600000000 ] - [ -0.0002275900000000, 0.0000065400000000, 0.0002062700000000 ] - [ 0.0008130700000000, 0.0004914900000000, -0.0002204700000000 ] - [ 0.0007726600000000, -0.0001153400000000, 0.0008578700000000 ] - [ 0.0013355500000000, -0.0002808800000000, -0.0002815900000000 ] - [ -0.0002306700000000, 0.0000188300000000, -0.0001243200000000 ] - [ 0.0003126200000000, -0.0008057400000000, 0.0001632100000000 ] - [ 0.0005339600000000, -0.0000074500000000, -0.0002847200000000 ] - [ -0.0002016000000000, 0.0000211500000000, 0.0003282700000000 ] - [ 0.0000683300000000, -0.0003026200000000, 0.0000174700000000 ] - [ 0.0003083200000000, 0.0008081300000000, 0.0001678000000000 ] - [ 0.0000104300000000, 0.0002901600000000, 0.0000040200000000 ] - [ 0.0002185200000000, 0.0000018900000000, 0.0001373600000000 ] - [ -0.0002029300000000, -0.0000066700000000, 0.0000489400000000 ] - [ 0.0003912300000000, -0.0004909800000000, -0.0000831500000000 ] - [ -0.0003864500000000, -0.0004979700000000, 0.0000905900000000 ] - [ -0.0002964100000000, -0.0008066600000000, -0.0001598200000000 ] - [ 0.0003973200000000, 0.0004991900000000, -0.0000864000000000 ] - [ 0.0002183700000000, 0.0000068800000000, -0.0000375000000000 ] - [ -0.0003752600000000, 0.0004959100000000, 0.0000920600000000 ] - [ -0.0005104000000000, 0.0000065900000000, 0.0002914900000000 ] - [ -0.0002851500000000, -0.0000250200000000, 0.0002004400000000 ] - [ -0.0002921300000000, 0.0008009600000000, -0.0001524600000000 ] - [ 0.0002171600000000, 0.0000050000000000, -0.0003242500000000 ] - [ 0.0003137300000000, -0.0000052100000000, -0.0001812100000000 ]- atom: 2 displacement: [ 0.0016676867133328, 0.0000000000000000, -0.0098599604982055 ] forces: - [ -0.0000425500000000, -0.0000556600000000, 0.0000814800000000 ] - [ -0.0165478900000000, -0.0085481200000000, 0.0601787300000000 ] - [ -0.0000329700000000, 0.0000563500000000, 0.0000985900000000 ] - [ -0.0039467700000000, 0.0066808400000000, -0.0044145700000000 ] - [ 0.0001286500000000, 0.0001600700000000, -0.0002580600000000 ] - [ -0.0007119300000000, -0.0005437100000000, 0.0021681600000000 ] - [ 0.0091656300000000, -0.0002766600000000, -0.0023895700000000 ] - [ -0.0001875800000000, 0.0000045700000000, 0.0001142300000000 ] - [ -0.0010608200000000, -0.0000793000000000, 0.0018843400000000 ] - [ -0.0025358700000000, 0.0021207300000000, -0.0022448900000000 ] - [ -0.0011922100000000, -0.0072813500000000, -0.0087800400000000 ] - [ 0.0000873200000000, -0.0001661400000000, -0.0001957600000000 ] - [ -0.0001901200000000, 0.0000003000000000, 0.0002364100000000 ] - [ -0.0007627400000000, 0.0002395600000000, 0.0000326500000000 ] - [ 0.0001588100000000, 0.0000157100000000, -0.0002385600000000 ] - [ -0.0000063100000000, -0.0001173700000000, 0.0000100200000000 ] - [ -0.0000034100000000, 0.0001178200000000, 0.0000115200000000 ] - [ 0.0002144300000000, -0.0000017400000000, -0.0001606600000000 ] - [ 0.0008540900000000, -0.0004461400000000, 0.0001581500000000 ] - [ -0.0000846400000000, -0.0002401600000000, 0.0003631300000000 ] - [ -0.0000965100000000, -0.0000752000000000, 0.0000370000000000 ] - [ -0.0001422500000000, -0.0000202500000000, -0.0001033200000000 ] - [ -0.0000951600000000, 0.0000731700000000, 0.0000390800000000 ] - [ 0.0002152100000000, 0.0000010100000000, 0.0000152600000000 ] - [ 0.0000176100000000, 0.0001197900000000, -0.0000340800000000 ] - [ -0.0002058300000000, -0.0000017200000000, -0.0000247900000000 ] - [ 0.0001072100000000, 0.0000749400000000, -0.0000482800000000 ] - [ -0.0001507900000000, -0.0000025900000000, 0.0001900200000000 ] - [ -0.0001234900000000, 0.0000108100000000, -0.0000877100000000 ] - [ 0.0001648400000000, 0.0000029800000000, -0.0001969300000000 ] - [ -0.0000963200000000, -0.0000000600000000, -0.0001945900000000 ] - [ 0.0000167700000000, -0.0001205200000000, -0.0000339300000000 ] - [ -0.0002090000000000, 0.0000014300000000, 0.0001533900000000 ] - [ 0.0001493300000000, 0.0000177200000000, 0.0000927400000000 ] - [ 0.0001079100000000, -0.0000008800000000, 0.0001854300000000 ] - [ -0.0000146500000000, -0.0001242700000000, 0.0000352500000000 ] - [ -0.0000157800000000, 0.0001198300000000, 0.0000311800000000 ] - [ 0.0001927400000000, 0.0000089600000000, -0.0002177500000000 ] - [ 0.0001063900000000, -0.0000728500000000, -0.0000479400000000 ] - [ 0.0001262300000000, -0.0000084200000000, 0.0000772700000000 ] - [ -0.0001438000000000, -0.0000067400000000, 0.0002146800000000 ] - [ -0.0003207300000000, -0.0011418800000000, 0.0011957200000000 ] - [ 0.0002253100000000, -0.0040916000000000, -0.0186500100000000 ] - [ 0.0038478100000000, -0.0011020300000000, -0.0015924300000000 ] - [ -0.0000626100000000, -0.0000081500000000, 0.0001285700000000 ] - [ 0.0000705000000000, 0.0000010200000000, -0.0001510000000000 ] - [ -0.0000632800000000, -0.0000023400000000, 0.0000474300000000 ] - [ 0.0000923100000000, 0.0000047900000000, -0.0000532400000000 ] - [ -0.0001009600000000, -0.0000002000000000, 0.0001883000000000 ] - [ 0.0000926000000000, 0.0001190500000000, 0.0003677600000000 ] - [ -0.0000744300000000, -0.0000140900000000, 0.0001385200000000 ] - [ 0.0001203800000000, -0.0000003800000000, -0.0001640000000000 ] - [ -0.0001976100000000, -0.0000005000000000, -0.0001378400000000 ] - [ 0.0005265100000000, 0.0006122500000000, 0.0021765600000000 ] - [ 0.0042053900000000, -0.0050020400000000, -0.0069413200000000 ] - [ -0.0002498400000000, 0.0000014500000000, 0.0002634800000000 ] - [ -0.0000081900000000, -0.0002889600000000, -0.0000061400000000 ] - [ 0.0025616900000000, 0.0014503300000000, -0.0086688600000000 ] - [ -0.0000377700000000, 0.0002415600000000, -0.0000727100000000 ] - [ 0.0006365500000000, 0.0003128600000000, 0.0003354000000000 ] - [ 0.0002826500000000, -0.0001878700000000, 0.0011794900000000 ] - [ 0.0005217500000000, -0.0004570600000000, -0.0001047600000000 ] - [ -0.0012566900000000, -0.0008120100000000, -0.0066131700000000 ] - [ -0.0010466300000000, -0.0010426600000000, -0.0006038800000000 ] - [ 0.0005311900000000, 0.0004705800000000, -0.0001099200000000 ] - [ 0.0081810100000000, 0.0153987900000000, -0.0092627700000000 ] - [ 0.0002251900000000, 0.0007739300000000, -0.0004601700000000 ] - [ 0.0012495400000000, 0.0015697700000000, 0.0025668700000000 ] - [ -0.0003852300000000, -0.0000018700000000, 0.0001730800000000 ] - [ -0.0014353000000000, 0.0011245000000000, -0.0001008500000000 ] - [ -0.0003558900000000, 0.0000947900000000, -0.0015326600000000 ] - [ -0.0007468900000000, 0.0003080500000000, -0.0001047700000000 ] - [ -0.0001961300000000, 0.0000149900000000, -0.0001388700000000 ] - [ 0.0002948000000000, -0.0008037200000000, 0.0001503000000000 ] - [ 0.0005087100000000, -0.0000070400000000, -0.0002940900000000 ] - [ -0.0002174200000000, 0.0000203200000000, 0.0003255000000000 ] - [ -0.0001016600000000, -0.0002737800000000, -0.0000368200000000 ] - [ 0.0002914700000000, 0.0008066300000000, 0.0001559500000000 ] - [ -0.0000117000000000, 0.0002885600000000, -0.0000082900000000 ] - [ 0.0002121800000000, 0.0000026400000000, 0.0001269100000000 ] - [ -0.0002167700000000, -0.0000053900000000, 0.0000364700000000 ] - [ 0.0003861200000000, -0.0004970200000000, -0.0000887500000000 ] - [ -0.0004076200000000, -0.0005018700000000, 0.0000791500000000 ] - [ -0.0003147700000000, -0.0008097100000000, -0.0001720400000000 ] - [ 0.0003871900000000, 0.0005059700000000, -0.0000923500000000 ] - [ 0.0002021700000000, 0.0000063900000000, -0.0000477600000000 ] - [ -0.0003976300000000, 0.0005004200000000, 0.0000812500000000 ] - [ -0.0005311800000000, 0.0000058700000000, 0.0002810900000000 ] - [ -0.0003147500000000, -0.0000242800000000, 0.0001764300000000 ] - [ -0.0003104200000000, 0.0008046300000000, -0.0001647800000000 ] - [ 0.0002036000000000, 0.0000045300000000, -0.0003352100000000 ] - [ 0.0002917200000000, -0.0000049500000000, -0.0002020400000000 ]- atom: 4 displacement: [ 0.0099999817982353, 0.0000000000000000, 0.0000190797002540 ] forces: - [ 0.0007169700000000, -0.0000072900000000, 0.0001818400000000 ] - [ -0.0037686400000000, -0.0024774500000000, 0.0034896000000000 ] - [ 0.0007169700000000, 0.0000072900000000, 0.0001818400000000 ] - [ -0.0614333000000000, 0.0000000000000000, -0.0085100200000000 ] - [ 0.0005252500000000, -0.0000819200000000, -0.0000045700000000 ] - [ -0.0035162900000000, 0.0000000000000000, -0.0007702400000000 ] - [ 0.0016892200000000, -0.0010421100000000, 0.0003548000000000 ] - [ 0.0012171100000000, 0.0000000000000000, 0.0005527500000000 ] - [ -0.0037686400000000, 0.0024774500000000, 0.0034896000000000 ] - [ 0.0000096700000000, 0.0000000000000000, -0.0004868700000000 ] - [ 0.0065571300000000, 0.0000000000000000, -0.0109117600000000 ] - [ 0.0005252500000000, 0.0000819200000000, -0.0000045700000000 ] - [ 0.0004088100000000, 0.0000000000000000, 0.0003046200000000 ] - [ 0.0047968400000000, 0.0055682700000000, 0.0013810200000000 ] - [ -0.0003022300000000, 0.0000000000000000, -0.0004263000000000 ] - [ 0.0004442200000000, -0.0002115400000000, 0.0001667400000000 ] - [ 0.0004442200000000, 0.0002115400000000, 0.0001667400000000 ] - [ 0.0007474100000000, 0.0000000000000000, -0.0000750800000000 ] - [ 0.0016892200000000, 0.0010421100000000, 0.0003548000000000 ] - [ 0.0047968400000000, -0.0055682700000000, 0.0013810200000000 ] - [ 0.0006139400000000, -0.0001094700000000, 0.0001668300000000 ] - [ 0.0006319800000000, -0.0000357600000000, 0.0000408400000000 ] - [ 0.0006139400000000, 0.0001094700000000, 0.0001668300000000 ] - [ 0.0008774000000000, 0.0000000000000000, 0.0001263500000000 ] - [ 0.0004809100000000, 0.0000232700000000, 0.0000972100000000 ] - [ 0.0004557300000000, 0.0000000000000000, 0.0000883500000000 ] - [ 0.0008240500000000, 0.0000399900000000, 0.0000853100000000 ] - [ 0.0006597000000000, 0.0000000000000000, 0.0003445000000000 ] - [ 0.0006319800000000, 0.0000357600000000, 0.0000408400000000 ] - [ 0.0009831600000000, 0.0000000000000000, -0.0000467500000000 ] - [ 0.0007487400000000, 0.0000000000000000, -0.0001067700000000 ] - [ 0.0004809100000000, -0.0000232700000000, 0.0000972100000000 ] - [ 0.0003324100000000, 0.0000000000000000, 0.0002548100000000 ] - [ 0.0008654200000000, -0.0000141000000000, 0.0002032900000000 ] - [ 0.0009496300000000, 0.0000000000000000, 0.0002743200000000 ] - [ 0.0004485100000000, -0.0002196300000000, 0.0001609100000000 ] - [ 0.0004485100000000, 0.0002196300000000, 0.0001609100000000 ] - [ 0.0007696000000000, 0.0000000000000000, -0.0000781000000000 ] - [ 0.0008240500000000, -0.0000399900000000, 0.0000853100000000 ] - [ 0.0008654200000000, 0.0000141000000000, 0.0002032900000000 ] - [ 0.0013041800000000, 0.0000000000000000, 0.0003157000000000 ] - [ 0.0013807500000000, 0.0000000000000000, 0.0012124100000000 ] - [ -0.0159553900000000, 0.0000000000000000, -0.0061034700000000 ] - [ -0.0067036400000000, 0.0000000000000000, -0.0000883800000000 ] - [ 0.0014808600000000, 0.0000000000000000, 0.0004094300000000 ] - [ 0.0015805300000000, 0.0000000000000000, 0.0001130300000000 ] - [ 0.0019341300000000, 0.0000000000000000, 0.0003825500000000 ] - [ 0.0020951900000000, 0.0000000000000000, 0.0002869300000000 ] - [ 0.0012232600000000, 0.0000000000000000, 0.0003485600000000 ] - [ 0.0013478900000000, 0.0000000000000000, 0.0000763100000000 ] - [ 0.0012227300000000, 0.0000000000000000, 0.0003078000000000 ] - [ 0.0014320400000000, 0.0000000000000000, 0.0000178400000000 ] - [ -0.0013638200000000, 0.0000000000000000, -0.0004856500000000 ] - [ 0.0122050100000000, 0.0011214400000000, 0.0014276700000000 ] - [ 0.0161307800000000, 0.0000000000000000, 0.0003511800000000 ] - [ -0.0010520200000000, 0.0000000000000000, 0.0003352500000000 ] - [ -0.0010013300000000, -0.0002856100000000, 0.0002549700000000 ] - [ 0.0122050100000000, -0.0011214400000000, 0.0014276700000000 ] - [ -0.0010362600000000, 0.0002141000000000, 0.0002528000000000 ] - [ -0.0006785700000000, 0.0000000000000000, -0.0002800900000000 ] - [ 0.0216314200000000, 0.0000000000000000, 0.0096663600000000 ] - [ -0.0007961900000000, 0.0000836300000000, -0.0001944400000000 ] - [ -0.0006203500000000, -0.0000934800000000, -0.0004321400000000 ] - [ 0.0000989500000000, -0.0030785500000000, 0.0001311600000000 ] - [ -0.0007961900000000, -0.0000836300000000, -0.0001944400000000 ] - [ 0.0053715800000000, 0.0000000000000000, 0.0031178600000000 ] - [ -0.0006203500000000, 0.0000934800000000, -0.0004321400000000 ] - [ 0.0089285200000000, 0.0000000000000000, 0.0007449700000000 ] - [ -0.0015823500000000, 0.0000000000000000, -0.0005799500000000 ] - [ 0.0000989500000000, 0.0030785500000000, 0.0001311600000000 ] - [ -0.0013135700000000, 0.0000000000000000, -0.0010141600000000 ] - [ -0.0008351000000000, 0.0000000000000000, -0.0007618100000000 ] - [ -0.0013170300000000, 0.0000000000000000, -0.0004920300000000 ] - [ -0.0008998900000000, -0.0006286000000000, -0.0001214600000000 ] - [ -0.0011015500000000, 0.0000000000000000, -0.0004047300000000 ] - [ -0.0010919900000000, 0.0000000000000000, 0.0002727400000000 ] - [ -0.0010362600000000, -0.0002141000000000, 0.0002528000000000 ] - [ -0.0008998900000000, 0.0006286000000000, -0.0001214600000000 ] - [ -0.0010013300000000, 0.0002856100000000, 0.0002549700000000 ] - [ -0.0008363200000000, 0.0000000000000000, -0.0002112000000000 ] - [ -0.0012559300000000, 0.0000000000000000, -0.0001258100000000 ] - [ -0.0008024200000000, -0.0003956900000000, -0.0002215300000000 ] - [ -0.0015869900000000, -0.0006136700000000, -0.0000443700000000 ] - [ -0.0014956000000000, -0.0009595800000000, -0.0004244800000000 ] - [ -0.0008024200000000, 0.0003956900000000, -0.0002215300000000 ] - [ -0.0008457600000000, 0.0000000000000000, -0.0001720200000000 ] - [ -0.0015869900000000, 0.0006136700000000, -0.0000443700000000 ] - [ -0.0020964700000000, 0.0000000000000000, 0.0001534800000000 ] - [ -0.0015574400000000, 0.0000000000000000, -0.0005191900000000 ] - [ -0.0014956000000000, 0.0009595800000000, -0.0004244800000000 ] - [ -0.0006593200000000, 0.0000000000000000, -0.0003995800000000 ] - [ -0.0009494900000000, 0.0000000000000000, -0.0009121000000000 ]- atom: 4 displacement: [ -0.0099999817982353, 0.0000000000000000, -0.0000190797002540 ] forces: - [ -0.0009300500000000, -0.0001410400000000, -0.0000975700000000 ] - [ 0.0034802600000000, 0.0024642700000000, -0.0036712700000000 ] - [ -0.0009300500000000, 0.0001410400000000, -0.0000975700000000 ] - [ 0.0624981500000000, 0.0000000000000000, 0.0096385500000000 ] - [ -0.0004939500000000, 0.0003219100000000, -0.0000584200000000 ] - [ 0.0031125900000000, 0.0000000000000000, 0.0007344300000000 ] - [ -0.0014786700000000, 0.0011661600000000, -0.0004389200000000 ] - [ -0.0015333100000000, 0.0000000000000000, -0.0001655800000000 ] - [ 0.0034802600000000, -0.0024642700000000, -0.0036712700000000 ] - [ 0.0002959100000000, 0.0000000000000000, 0.0001003900000000 ] - [ -0.0067016900000000, 0.0000000000000000, 0.0103689000000000 ] - [ -0.0004939500000000, -0.0003219100000000, -0.0000584200000000 ] - [ -0.0008294000000000, 0.0000000000000000, 0.0000164200000000 ] - [ -0.0046260500000000, -0.0056221000000000, -0.0012502000000000 ] - [ 0.0005057000000000, 0.0000000000000000, 0.0008109100000000 ] - [ -0.0004788000000000, -0.0000294000000000, -0.0001046500000000 ] - [ -0.0004788000000000, 0.0000294000000000, -0.0001046500000000 ] - [ -0.0003286200000000, 0.0000000000000000, -0.0002473500000000 ] - [ -0.0014786700000000, -0.0011661600000000, -0.0004389200000000 ] - [ -0.0046260500000000, 0.0056221000000000, -0.0012502000000000 ] - [ -0.0008216500000000, -0.0000393000000000, -0.0000839300000000 ] - [ -0.0008639800000000, 0.0000147800000000, -0.0002036000000000 ] - [ -0.0008216500000000, 0.0000393000000000, -0.0000839300000000 ] - [ -0.0004588700000000, 0.0000000000000000, -0.0000879100000000 ] - [ -0.0004507100000000, 0.0002202800000000, -0.0001588000000000 ] - [ -0.0008814200000000, 0.0000000000000000, -0.0001309500000000 ] - [ -0.0006180000000000, 0.0001090900000000, -0.0001694300000000 ] - [ -0.0009806600000000, 0.0000000000000000, 0.0000467800000000 ] - [ -0.0008639800000000, -0.0000147800000000, -0.0002036000000000 ] - [ -0.0006648300000000, 0.0000000000000000, -0.0003434000000000 ] - [ -0.0009520700000000, 0.0000000000000000, -0.0002739200000000 ] - [ -0.0004507100000000, -0.0002202800000000, -0.0001588000000000 ] - [ -0.0007538100000000, 0.0000000000000000, 0.0000641900000000 ] - [ -0.0006300900000000, 0.0000362800000000, -0.0000385500000000 ] - [ -0.0007507400000000, 0.0000000000000000, 0.0001071600000000 ] - [ -0.0004823100000000, -0.0000230300000000, -0.0000985100000000 ] - [ -0.0004823100000000, 0.0000230300000000, -0.0000985100000000 ] - [ -0.0003500600000000, 0.0000000000000000, -0.0002420800000000 ] - [ -0.0006180000000000, -0.0001090900000000, -0.0001694300000000 ] - [ -0.0006300900000000, -0.0000362800000000, -0.0000385500000000 ] - [ -0.0014129600000000, 0.0000000000000000, -0.0000174400000000 ] - [ -0.0012759100000000, 0.0000000000000000, -0.0014928100000000 ] - [ 0.0158550000000000, 0.0000000000000000, 0.0062270100000000 ] - [ 0.0069251600000000, 0.0000000000000000, 0.0001338600000000 ] - [ -0.0015877600000000, 0.0000000000000000, -0.0001129000000000 ] - [ -0.0014761900000000, 0.0000000000000000, -0.0004113400000000 ] - [ -0.0020953500000000, 0.0000000000000000, -0.0002830700000000 ] - [ -0.0019406000000000, 0.0000000000000000, -0.0003850800000000 ] - [ -0.0014428200000000, 0.0000000000000000, -0.0000324000000000 ] - [ -0.0011334500000000, 0.0000000000000000, -0.0003954500000000 ] - [ -0.0014419500000000, 0.0000000000000000, 0.0000072600000000 ] - [ -0.0012173600000000, 0.0000000000000000, -0.0003334400000000 ] - [ 0.0008961600000000, 0.0000000000000000, 0.0002203500000000 ] - [ -0.0114252600000000, -0.0024183000000000, -0.0011742100000000 ] - [ -0.0151486200000000, 0.0000000000000000, -0.0008983200000000 ] - [ 0.0006180700000000, 0.0000000000000000, 0.0003239900000000 ] - [ 0.0009978500000000, -0.0002924100000000, -0.0002591600000000 ] - [ -0.0114252600000000, 0.0024183000000000, -0.0011742100000000 ] - [ 0.0010366100000000, 0.0003605400000000, -0.0002501400000000 ] - [ 0.0011476700000000, 0.0000000000000000, 0.0005475400000000 ] - [ -0.0228740100000000, 0.0000000000000000, -0.0104455400000000 ] - [ 0.0015740800000000, -0.0010872800000000, 0.0000174900000000 ] - [ -0.0001543600000000, -0.0009024200000000, 0.0006067700000000 ] - [ -0.0006938400000000, 0.0014896100000000, -0.0004728000000000 ] - [ 0.0015740800000000, 0.0010872800000000, 0.0000174900000000 ] - [ -0.0049693600000000, 0.0000000000000000, -0.0031780400000000 ] - [ -0.0001543600000000, 0.0009024200000000, 0.0006067700000000 ] - [ -0.0099617400000000, 0.0000000000000000, -0.0001831600000000 ] - [ 0.0009705900000000, 0.0000000000000000, 0.0009634300000000 ] - [ -0.0006938400000000, -0.0014896100000000, -0.0004728000000000 ] - [ 0.0017330700000000, 0.0000000000000000, 0.0003427700000000 ] - [ 0.0014560700000000, 0.0000000000000000, 0.0003810300000000 ] - [ 0.0008468200000000, 0.0000000000000000, 0.0002153600000000 ] - [ 0.0014942700000000, -0.0009636700000000, 0.0004259800000000 ] - [ 0.0021053400000000, 0.0000000000000000, -0.0001548500000000 ] - [ 0.0006553700000000, 0.0000000000000000, 0.0003954100000000 ] - [ 0.0010366100000000, -0.0003605400000000, -0.0002501400000000 ] - [ 0.0014942700000000, 0.0009636700000000, 0.0004259800000000 ] - [ 0.0009978500000000, 0.0002924100000000, -0.0002591600000000 ] - [ 0.0013037500000000, 0.0000000000000000, 0.0004873800000000 ] - [ 0.0008441900000000, 0.0000000000000000, 0.0001791300000000 ] - [ 0.0015824800000000, -0.0006105700000000, 0.0000412300000000 ] - [ 0.0008044900000000, -0.0003913100000000, 0.0002238300000000 ] - [ 0.0008988600000000, -0.0006318000000000, 0.0001222100000000 ] - [ 0.0015824800000000, 0.0006105700000000, 0.0000412300000000 ] - [ 0.0012562300000000, 0.0000000000000000, 0.0001150000000000 ] - [ 0.0008044900000000, 0.0003913100000000, 0.0002238300000000 ] - [ 0.0010957000000000, 0.0000000000000000, 0.0004065000000000 ] - [ 0.0009434500000000, 0.0000000000000000, 0.0009078200000000 ] - [ 0.0008988600000000, 0.0006318000000000, 0.0001222100000000 ] - [ 0.0010933800000000, 0.0000000000000000, -0.0002668600000000 ] - [ 0.0015628400000000, 0.0000000000000000, 0.0005256100000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001464600000000, -0.0001074100000000, 0.0001403400000000 ] - [ -0.0031458700000000, 0.0037601400000000, -0.0072995100000000 ] - [ -0.0003044200000000, 0.0000344300000000, -0.0000411300000000 ] - [ -0.0003641600000000, -0.0394621800000000, 0.0000373800000000 ] - [ -0.0001890500000000, 0.0000931100000000, -0.0001470200000000 ] - [ -0.0002160500000000, 0.0024905300000000, -0.0000175300000000 ] - [ -0.0016537000000000, 0.0005678600000000, -0.0006253700000000 ] - [ -0.0001482800000000, -0.0001236400000000, 0.0001925200000000 ] - [ 0.0029162200000000, 0.0037735100000000, 0.0071909300000000 ] - [ 0.0001546200000000, 0.0013045900000000, -0.0001900000000000 ] - [ -0.0001412100000000, -0.0049007000000000, -0.0001696200000000 ] - [ 0.0002234100000000, -0.0001333800000000, 0.0000779700000000 ] - [ -0.0002140800000000, 0.0000104300000000, 0.0001742200000000 ] - [ 0.0055915400000000, 0.0017162900000000, 0.0015826200000000 ] - [ 0.0000995600000000, 0.0004039100000000, 0.0001819700000000 ] - [ 0.0000156900000000, -0.0001159000000000, 0.0000480000000000 ] - [ -0.0000412400000000, 0.0001187500000000, 0.0000147900000000 ] - [ 0.0002114000000000, -0.0000051300000000, -0.0001634900000000 ] - [ 0.0018578700000000, 0.0004231500000000, 0.0005318800000000 ] - [ -0.0053429200000000, 0.0016448900000000, -0.0013981900000000 ] - [ -0.0000701900000000, -0.0000721200000000, 0.0000500800000000 ] - [ -0.0001766700000000, -0.0000278600000000, -0.0001098200000000 ] - [ -0.0000705200000000, 0.0000678100000000, 0.0000530500000000 ] - [ 0.0002066300000000, 0.0000010900000000, 0.0000248200000000 ] - [ 0.0000126800000000, 0.0001153400000000, -0.0000326600000000 ] - [ -0.0002078800000000, -0.0000067000000000, -0.0000258000000000 ] - [ 0.0000736400000000, 0.0000698100000000, -0.0000530000000000 ] - [ -0.0001512500000000, -0.0000015600000000, 0.0001917300000000 ] - [ -0.0001560400000000, 0.0000166100000000, -0.0000931700000000 ] - [ 0.0001528900000000, 0.0000008800000000, -0.0001915000000000 ] - [ -0.0001053600000000, -0.0000010000000000, -0.0001896900000000 ] - [ 0.0000124200000000, -0.0001175800000000, -0.0000339200000000 ] - [ -0.0002140300000000, -0.0000015700000000, 0.0001634000000000 ] - [ 0.0001577500000000, 0.0000190000000000, 0.0001030400000000 ] - [ 0.0001037800000000, -0.0000029300000000, 0.0001891800000000 ] - [ -0.0000230600000000, -0.0001198700000000, 0.0000387600000000 ] - [ -0.0000346200000000, 0.0000953500000000, 0.0000415400000000 ] - [ 0.0002156700000000, 0.0000078900000000, -0.0001701200000000 ] - [ 0.0000706700000000, -0.0000706300000000, -0.0000509800000000 ] - [ 0.0001261400000000, -0.0000104300000000, 0.0000856900000000 ] - [ -0.0000626500000000, 0.0003190600000000, 0.0001457500000000 ] - [ 0.0000622700000000, -0.0021587000000000, -0.0001469700000000 ] - [ 0.0000212800000000, 0.0235343000000000, 0.0000369500000000 ] - [ 0.0001165500000000, -0.0045762800000000, -0.0000387900000000 ] - [ -0.0000680400000000, -0.0000153500000000, 0.0001429200000000 ] - [ 0.0000632000000000, 0.0000006100000000, -0.0001469300000000 ] - [ -0.0000779200000000, -0.0000058100000000, 0.0000515900000000 ] - [ 0.0000740700000000, 0.0000078100000000, -0.0000546200000000 ] - [ -0.0001111100000000, -0.0000090800000000, 0.0001633800000000 ] - [ 0.0001089200000000, 0.0000618100000000, -0.0001637300000000 ] - [ -0.0001103200000000, -0.0000194900000000, 0.0001626000000000 ] - [ 0.0001093100000000, 0.0000020100000000, -0.0001643100000000 ] - [ -0.0002111000000000, -0.0000613700000000, -0.0001334000000000 ] - [ 0.0024911400000000, 0.0030223000000000, 0.0008955900000000 ] - [ 0.0005412800000000, 0.0080336600000000, -0.0003187500000000 ] - [ -0.0002116300000000, -0.0001222100000000, 0.0003292100000000 ] - [ -0.0000017000000000, -0.0002918700000000, 0.0000048400000000 ] - [ -0.0014571700000000, 0.0039377500000000, -0.0006623500000000 ] - [ 0.0000517400000000, 0.0002729300000000, -0.0000114300000000 ] - [ 0.0002103500000000, 0.0003463800000000, 0.0001318100000000 ] - [ -0.0001613900000000, 0.0053479000000000, 0.0000858600000000 ] - [ 0.0005921900000000, -0.0005995200000000, -0.0000179900000000 ] - [ 0.0009092600000000, 0.0001919300000000, 0.0004464200000000 ] - [ -0.0016072700000000, -0.0003055400000000, 0.0013751000000000 ] - [ 0.0001983600000000, 0.0003952600000000, -0.0001552700000000 ] - [ 0.0001994200000000, -0.0043993700000000, -0.0000629900000000 ] - [ -0.0017041900000000, 0.0012015500000000, -0.0002726100000000 ] - [ -0.0005175500000000, -0.0071711800000000, 0.0003091600000000 ] - [ -0.0003054100000000, 0.0001045600000000, 0.0001870100000000 ] - [ 0.0010032200000000, 0.0013534100000000, -0.0017207000000000 ] - [ 0.0002112800000000, 0.0009413500000000, -0.0003296400000000 ] - [ 0.0003048100000000, -0.0007808700000000, -0.0001884900000000 ] - [ -0.0002045900000000, 0.0000129300000000, -0.0001249700000000 ] - [ 0.0003044900000000, -0.0008080200000000, 0.0001607400000000 ] - [ 0.0005323900000000, -0.0000068400000000, -0.0002904000000000 ] - [ -0.0002058800000000, 0.0000165200000000, 0.0003231900000000 ] - [ -0.0000590500000000, -0.0003038600000000, 0.0000104500000000 ] - [ 0.0003006700000000, 0.0008087200000000, 0.0001643500000000 ] - [ 0.0000067700000000, 0.0002931500000000, -0.0000032200000000 ] - [ 0.0002103000000000, 0.0000013800000000, 0.0001278800000000 ] - [ -0.0002112400000000, -0.0000056000000000, 0.0000529800000000 ] - [ 0.0003913100000000, -0.0004948900000000, -0.0000838200000000 ] - [ -0.0003998700000000, -0.0005030100000000, 0.0000851900000000 ] - [ -0.0003050600000000, -0.0008109900000000, -0.0001660100000000 ] - [ 0.0003940200000000, 0.0005039400000000, -0.0000879200000000 ] - [ 0.0002135200000000, 0.0000040600000000, -0.0000494600000000 ] - [ -0.0003902000000000, 0.0004975900000000, 0.0000845500000000 ] - [ -0.0005283400000000, 0.0000026600000000, 0.0002894000000000 ] - [ -0.0002985600000000, -0.0000213700000000, 0.0001861200000000 ] - [ -0.0002995200000000, 0.0008024600000000, -0.0001599100000000 ] - [ 0.0002065100000000, 0.0000042000000000, -0.0003235300000000 ] - [ 0.0003026800000000, -0.0000057600000000, -0.0001862300000000 ]- atom: 4 displacement: [ -0.0016676867133328, 0.0000000000000000, 0.0098599604982055 ] forces: - [ -0.0003589100000000, -0.0000276300000000, -0.0001679800000000 ] - [ 0.0036926300000000, -0.0067957400000000, 0.0042910400000000 ] - [ -0.0003589100000000, 0.0000276300000000, -0.0001679800000000 ] - [ 0.0019271600000000, 0.0000000000000000, -0.0508791600000000 ] - [ -0.0000131600000000, 0.0000993500000000, 0.0000543700000000 ] - [ -0.0003998200000000, 0.0000000000000000, -0.0001718100000000 ] - [ -0.0001922300000000, -0.0001743400000000, -0.0004724000000000 ] - [ 0.0003964800000000, 0.0000000000000000, 0.0006670400000000 ] - [ 0.0036926300000000, 0.0067957400000000, 0.0042910400000000 ] - [ 0.0000571200000000, 0.0000000000000000, 0.0000748400000000 ] - [ -0.0107576400000000, 0.0000000000000000, 0.0074286600000000 ] - [ -0.0000131600000000, -0.0000993500000000, 0.0000543700000000 ] - [ -0.0002156400000000, 0.0000000000000000, 0.0001434500000000 ] - [ 0.0001852200000000, 0.0000610200000000, -0.0021807500000000 ] - [ 0.0001211700000000, 0.0000000000000000, 0.0009254700000000 ] - [ -0.0000407100000000, -0.0001207300000000, 0.0000755200000000 ] - [ -0.0000407100000000, 0.0001207300000000, 0.0000755200000000 ] - [ 0.0001985900000000, 0.0000000000000000, -0.0001723300000000 ] - [ -0.0001922300000000, 0.0001743400000000, -0.0004724000000000 ] - [ 0.0001852200000000, -0.0000610200000000, -0.0021807500000000 ] - [ -0.0001079900000000, -0.0000717700000000, 0.0000465700000000 ] - [ -0.0001218400000000, -0.0000102600000000, -0.0000798700000000 ] - [ -0.0001079900000000, 0.0000717700000000, 0.0000465700000000 ] - [ 0.0002065000000000, 0.0000000000000000, 0.0000215500000000 ] - [ 0.0000120700000000, 0.0001244000000000, -0.0000259300000000 ] - [ -0.0002177500000000, 0.0000000000000000, -0.0000169800000000 ] - [ 0.0000965100000000, 0.0000731500000000, -0.0000400200000000 ] - [ -0.0001641300000000, 0.0000000000000000, 0.0001964700000000 ] - [ -0.0001218400000000, 0.0000102600000000, -0.0000798700000000 ] - [ 0.0001513100000000, 0.0000000000000000, -0.0001902000000000 ] - [ -0.0001087500000000, 0.0000000000000000, -0.0001860100000000 ] - [ 0.0000120700000000, -0.0001244000000000, -0.0000259300000000 ] - [ -0.0002100500000000, 0.0000000000000000, 0.0001737500000000 ] - [ 0.0001104700000000, 0.0000102800000000, 0.0000847800000000 ] - [ 0.0000966000000000, 0.0000000000000000, 0.0001938500000000 ] - [ -0.0000186700000000, -0.0001210900000000, 0.0000302600000000 ] - [ -0.0000186700000000, 0.0001210900000000, 0.0000302600000000 ] - [ 0.0002153800000000, 0.0000000000000000, -0.0001397200000000 ] - [ 0.0000965100000000, -0.0000731500000000, -0.0000400200000000 ] - [ 0.0001104700000000, -0.0000102800000000, 0.0000847800000000 ] - [ 0.0000721800000000, 0.0000000000000000, -0.0001005000000000 ] - [ 0.0008177100000000, 0.0000000000000000, -0.0003678000000000 ] - [ -0.0003651200000000, 0.0000000000000000, 0.0035173000000000 ] - [ -0.0078755800000000, 0.0000000000000000, 0.0196265700000000 ] - [ -0.0000635600000000, 0.0000000000000000, 0.0001560400000000 ] - [ 0.0000496900000000, 0.0000000000000000, -0.0001436400000000 ] - [ -0.0000947500000000, 0.0000000000000000, 0.0000539800000000 ] - [ 0.0000578600000000, 0.0000000000000000, -0.0000492300000000 ] - [ -0.0001112600000000, 0.0000000000000000, 0.0000829100000000 ] - [ 0.0000828200000000, 0.0000000000000000, -0.0003331200000000 ] - [ -0.0001236100000000, 0.0000000000000000, 0.0001625100000000 ] - [ 0.0000933500000000, 0.0000000000000000, -0.0001507000000000 ] - [ -0.0003244500000000, 0.0000000000000000, -0.0001313100000000 ] - [ -0.0015076400000000, -0.0020666500000000, 0.0054297700000000 ] - [ 0.0018366300000000, 0.0000000000000000, 0.0005611700000000 ] - [ -0.0000843700000000, 0.0000000000000000, 0.0005648100000000 ] - [ 0.0000176300000000, -0.0002848800000000, 0.0000070300000000 ] - [ -0.0015076400000000, 0.0020666500000000, 0.0054297700000000 ] - [ 0.0000235200000000, 0.0002890000000000, 0.0000209200000000 ] - [ 0.0000657000000000, 0.0000000000000000, 0.0001367100000000 ] - [ 0.0086376000000000, 0.0000000000000000, 0.0089398400000000 ] - [ 0.0000253400000000, -0.0002207400000000, -0.0000097900000000 ] - [ -0.0010683500000000, -0.0001838700000000, -0.0002582300000000 ] - [ 0.0023922700000000, 0.0000342100000000, -0.0017422400000000 ] - [ 0.0000253400000000, 0.0002207400000000, -0.0000097900000000 ] - [ 0.0003498600000000, 0.0000000000000000, -0.0017158900000000 ] - [ -0.0010683500000000, 0.0001838700000000, -0.0002582300000000 ] - [ -0.0016297400000000, 0.0000000000000000, 0.0008423300000000 ] - [ -0.0001328300000000, 0.0000000000000000, 0.0001755400000000 ] - [ 0.0023922700000000, -0.0000342100000000, -0.0017422400000000 ] - [ 0.0003359200000000, 0.0000000000000000, 0.0000475600000000 ] - [ 0.0007155500000000, 0.0000000000000000, -0.0001782400000000 ] - [ -0.0002278700000000, 0.0000000000000000, -0.0001298200000000 ] - [ 0.0003070600000000, -0.0008036800000000, 0.0001633900000000 ] - [ 0.0005279300000000, 0.0000000000000000, -0.0002793900000000 ] - [ -0.0002068100000000, 0.0000000000000000, 0.0003335600000000 ] - [ 0.0000235200000000, -0.0002890000000000, 0.0000209200000000 ] - [ 0.0003070600000000, 0.0008036800000000, 0.0001633900000000 ] - [ 0.0000176300000000, 0.0002848800000000, 0.0000070300000000 ] - [ 0.0002262600000000, 0.0000000000000000, 0.0001421500000000 ] - [ -0.0001985500000000, 0.0000000000000000, 0.0000421400000000 ] - [ 0.0004003900000000, -0.0005012300000000, -0.0000843300000000 ] - [ -0.0003875800000000, -0.0005030200000000, 0.0000925300000000 ] - [ -0.0002889100000000, -0.0007976300000000, -0.0001471400000000 ] - [ 0.0004003900000000, 0.0005012300000000, -0.0000843300000000 ] - [ 0.0002156900000000, 0.0000000000000000, -0.0000358000000000 ] - [ -0.0003875800000000, 0.0005030200000000, 0.0000925300000000 ] - [ -0.0004986400000000, 0.0000000000000000, 0.0002891000000000 ] - [ -0.0002924600000000, 0.0000000000000000, 0.0002047200000000 ] - [ -0.0002889100000000, 0.0007976300000000, -0.0001471400000000 ] - [ 0.0002191600000000, 0.0000000000000000, -0.0003267800000000 ] - [ 0.0003149600000000, 0.0000000000000000, -0.0001806100000000 ]- atom: 4 displacement: [ 0.0016676867133328, 0.0000000000000000, -0.0098599604982055 ] forces: - [ 0.0001464800000000, -0.0001191000000000, 0.0002515600000000 ] - [ -0.0038641400000000, 0.0066880800000000, -0.0044478500000000 ] - [ 0.0001464800000000, 0.0001191000000000, 0.0002515600000000 ] - [ -0.0010466800000000, 0.0000000000000000, 0.0496791500000000 ] - [ 0.0000436600000000, 0.0001417100000000, -0.0001126300000000 ] - [ -0.0000208700000000, 0.0000000000000000, 0.0001225800000000 ] - [ 0.0003882200000000, 0.0003224100000000, 0.0003813800000000 ] - [ -0.0007116800000000, 0.0000000000000000, -0.0002757500000000 ] - [ -0.0038641400000000, -0.0066880800000000, -0.0044478500000000 ] - [ 0.0002563900000000, 0.0000000000000000, -0.0004540600000000 ] - [ 0.0107176300000000, 0.0000000000000000, -0.0077951100000000 ] - [ 0.0000436600000000, -0.0001417100000000, -0.0001126300000000 ] - [ -0.0002057400000000, 0.0000000000000000, 0.0001784600000000 ] - [ 0.0000836300000000, -0.0000207700000000, 0.0023402900000000 ] - [ 0.0000818600000000, 0.0000000000000000, -0.0005338800000000 ] - [ 0.0000074600000000, -0.0001218800000000, -0.0000145000000000 ] - [ 0.0000074600000000, 0.0001218800000000, -0.0000145000000000 ] - [ 0.0002200200000000, 0.0000000000000000, -0.0001467200000000 ] - [ 0.0003882200000000, -0.0003224100000000, 0.0003813800000000 ] - [ 0.0000836300000000, 0.0000207700000000, 0.0023402900000000 ] - [ -0.0000957200000000, -0.0000751300000000, 0.0000392500000000 ] - [ -0.0001119200000000, -0.0000103900000000, -0.0000855800000000 ] - [ -0.0000957200000000, 0.0000751300000000, 0.0000392500000000 ] - [ 0.0002183700000000, 0.0000000000000000, 0.0000176100000000 ] - [ 0.0000205800000000, 0.0001216200000000, -0.0000312500000000 ] - [ -0.0002078100000000, 0.0000000000000000, -0.0000231000000000 ] - [ 0.0001086500000000, 0.0000743700000000, -0.0000444200000000 ] - [ -0.0001521800000000, 0.0000000000000000, 0.0001944400000000 ] - [ -0.0001119200000000, 0.0000103900000000, -0.0000855800000000 ] - [ 0.0001656900000000, 0.0000000000000000, -0.0001967400000000 ] - [ -0.0000951600000000, 0.0000000000000000, -0.0001928100000000 ] - [ 0.0000205800000000, -0.0001216200000000, -0.0000312500000000 ] - [ -0.0002099500000000, 0.0000000000000000, 0.0001469300000000 ] - [ 0.0001259300000000, 0.0000101500000000, 0.0000814900000000 ] - [ 0.0001066500000000, 0.0000000000000000, 0.0001882400000000 ] - [ -0.0000147500000000, -0.0001237400000000, 0.0000301500000000 ] - [ -0.0000147500000000, 0.0001237400000000, 0.0000301500000000 ] - [ 0.0002041300000000, 0.0000000000000000, -0.0001786700000000 ] - [ 0.0001086500000000, -0.0000743700000000, -0.0000444200000000 ] - [ 0.0001259300000000, -0.0000101500000000, 0.0000814900000000 ] - [ -0.0001895400000000, 0.0000000000000000, 0.0003937400000000 ] - [ -0.0006898000000000, 0.0000000000000000, 0.0000635200000000 ] - [ 0.0002308300000000, 0.0000000000000000, -0.0033218400000000 ] - [ 0.0077770400000000, 0.0000000000000000, -0.0196493900000000 ] - [ -0.0000500100000000, 0.0000000000000000, 0.0001407100000000 ] - [ 0.0000663000000000, 0.0000000000000000, -0.0001521900000000 ] - [ -0.0000658500000000, 0.0000000000000000, 0.0000507800000000 ] - [ 0.0000894000000000, 0.0000000000000000, -0.0000521100000000 ] - [ -0.0001063400000000, 0.0000000000000000, 0.0002329300000000 ] - [ 0.0001325000000000, 0.0000000000000000, 0.0000135000000000 ] - [ -0.0000922800000000, 0.0000000000000000, 0.0001521900000000 ] - [ 0.0001210300000000, 0.0000000000000000, -0.0001629500000000 ] - [ -0.0001306800000000, 0.0000000000000000, -0.0001335400000000 ] - [ 0.0020925700000000, 0.0004662000000000, -0.0051077400000000 ] - [ -0.0009864400000000, 0.0000000000000000, 0.0001030500000000 ] - [ -0.0003375700000000, 0.0000000000000000, 0.0000981200000000 ] - [ -0.0000189600000000, -0.0002959300000000, -0.0000088300000000 ] - [ 0.0020925700000000, -0.0004662000000000, -0.0051077400000000 ] - [ -0.0000210800000000, 0.0002888600000000, -0.0000151700000000 ] - [ 0.0003855900000000, 0.0000000000000000, 0.0001293500000000 ] - [ -0.0094473300000000, 0.0000000000000000, -0.0090910000000000 ] - [ 0.0007569300000000, -0.0007809400000000, -0.0001620400000000 ] - [ 0.0002650000000000, -0.0008135000000000, 0.0004359100000000 ] - [ -0.0029465000000000, -0.0016157700000000, 0.0014243500000000 ] - [ 0.0007569300000000, 0.0007809400000000, -0.0001620400000000 ] - [ 0.0000556100000000, 0.0000000000000000, 0.0016113600000000 ] - [ 0.0002650000000000, 0.0008135000000000, 0.0004359100000000 ] - [ 0.0005914900000000, 0.0000000000000000, -0.0002871900000000 ] - [ -0.0004686200000000, 0.0000000000000000, 0.0002104700000000 ] - [ -0.0029465000000000, 0.0016157700000000, 0.0014243500000000 ] - [ 0.0000918600000000, 0.0000000000000000, -0.0006975200000000 ] - [ -0.0001020900000000, 0.0000000000000000, -0.0002041000000000 ] - [ -0.0002265800000000, 0.0000000000000000, -0.0001453700000000 ] - [ 0.0002885700000000, -0.0007964900000000, 0.0001497400000000 ] - [ 0.0004944400000000, 0.0000000000000000, -0.0002874500000000 ] - [ -0.0002214300000000, 0.0000000000000000, 0.0003312800000000 ] - [ -0.0000210800000000, -0.0002888600000000, -0.0000151700000000 ] - [ 0.0002885700000000, 0.0007964900000000, 0.0001497400000000 ] - [ -0.0000189600000000, 0.0002959300000000, -0.0000088300000000 ] - [ 0.0002288800000000, 0.0000000000000000, 0.0001336600000000 ] - [ -0.0002129900000000, 0.0000000000000000, 0.0000261000000000 ] - [ 0.0003862200000000, -0.0005021200000000, -0.0000929100000000 ] - [ -0.0004021600000000, -0.0005013500000000, 0.0000842700000000 ] - [ -0.0003052600000000, -0.0007950500000000, -0.0001561500000000 ] - [ 0.0003862200000000, 0.0005021200000000, -0.0000929100000000 ] - [ 0.0001999500000000, 0.0000000000000000, -0.0000388200000000 ] - [ -0.0004021600000000, 0.0005013500000000, 0.0000842700000000 ] - [ -0.0005109600000000, 0.0000000000000000, 0.0002783700000000 ] - [ -0.0003150400000000, 0.0000000000000000, 0.0001864400000000 ] - [ -0.0003052600000000, 0.0007950500000000, -0.0001561500000000 ] - [ 0.0002075400000000, 0.0000000000000000, -0.0003359700000000 ] - [ 0.0002935400000000, 0.0000000000000000, -0.0002053300000000 ]- atom: 5 displacement: [ 0.0099999817982353, 0.0000000000000000, 0.0000190797002540 ] forces: - [ 0.0003887700000000, -0.0000936800000000, 0.0001377100000000 ] - [ 0.0007733100000000, 0.0000311000000000, -0.0000614100000000 ] - [ 0.0003886700000000, 0.0000932500000000, 0.0001369800000000 ] - [ 0.0007116500000000, -0.0001986500000000, 0.0000923800000000 ] - [ -0.0411143400000000, -0.0072311900000000, 0.0070331400000000 ] - [ 0.0002552600000000, 0.0000255800000000, 0.0000249800000000 ] - [ 0.0096633200000000, 0.0035456300000000, -0.0060093100000000 ] - [ 0.0004187400000000, -0.0000018300000000, 0.0002845400000000 ] - [ -0.0000927800000000, 0.0000624800000000, -0.0001619700000000 ] - [ 0.0008266600000000, 0.0034713000000000, 0.0010813900000000 ] - [ 0.0012292900000000, -0.0010298300000000, 0.0004324200000000 ] - [ -0.0045827500000000, -0.0004260700000000, 0.0004087900000000 ] - [ -0.0018821500000000, 0.0015894900000000, 0.0010504800000000 ] - [ 0.0006900400000000, -0.0000058500000000, 0.0001874700000000 ] - [ 0.0007016800000000, -0.0000028900000000, 0.0002561700000000 ] - [ 0.0003192400000000, -0.0001834500000000, 0.0001171000000000 ] - [ 0.0003191900000000, 0.0001816200000000, 0.0001161800000000 ] - [ 0.0005898100000000, -0.0000019900000000, -0.0000946500000000 ] - [ 0.0000562400000000, -0.0008648700000000, -0.0001693800000000 ] - [ 0.0006539500000000, 0.0000068100000000, 0.0001730000000000 ] - [ 0.0003495900000000, -0.0000546100000000, 0.0001667400000000 ] - [ 0.0003746400000000, -0.0000381900000000, -0.0000197100000000 ] - [ 0.0003938400000000, 0.0000503700000000, 0.0001283000000000 ] - [ 0.0006764900000000, -0.0000000800000000, 0.0000950800000000 ] - [ 0.0003297500000000, 0.0000463100000000, 0.0000623300000000 ] - [ 0.0002569500000000, -0.0000066400000000, 0.0000534900000000 ] - [ 0.0006113100000000, 0.0000450700000000, 0.0000374300000000 ] - [ 0.0004029300000000, 0.0000204900000000, 0.0002622700000000 ] - [ 0.0003715700000000, 0.0000342500000000, -0.0000125900000000 ] - [ 0.0007268400000000, 0.0000013300000000, -0.0000771200000000 ] - [ 0.0004855300000000, -0.0000004100000000, -0.0001301800000000 ] - [ 0.0003305400000000, -0.0000457600000000, 0.0000646500000000 ] - [ 0.0001656900000000, 0.0000025900000000, 0.0002288200000000 ] - [ 0.0006816400000000, 0.0000067200000000, 0.0001951700000000 ] - [ 0.0007083400000000, -0.0000167000000000, 0.0002513700000000 ] - [ 0.0000812600000000, -0.0000283800000000, -0.0000825900000000 ] - [ 0.0007459600000000, 0.0001870800000000, 0.0002486800000000 ] - [ 0.0069171600000000, 0.0064011800000000, -0.0008588600000000 ] - [ 0.0006136200000000, -0.0000458100000000, 0.0000394700000000 ] - [ 0.0006436700000000, 0.0000083300000000, 0.0001762800000000 ] - [ 0.0009976700000000, -0.0000039000000000, 0.0003362000000000 ] - [ -0.0096509400000000, -0.0067509800000000, -0.0040815400000000 ] - [ 0.0012055800000000, 0.0010816000000000, 0.0005199200000000 ] - [ 0.0014327800000000, 0.0000031800000000, 0.0002032800000000 ] - [ 0.0012666300000000, -0.0001765200000000, 0.0004195500000000 ] - [ 0.0011345500000000, 0.0000006000000000, 0.0000274000000000 ] - [ 0.0013348800000000, -0.0000083000000000, 0.0002878700000000 ] - [ 0.0014646400000000, 0.0000276800000000, 0.0001716900000000 ] - [ 0.0008190300000000, -0.0000017700000000, 0.0003054300000000 ] - [ -0.0119926400000000, -0.0040343700000000, -0.0010777600000000 ] - [ 0.0040353300000000, -0.0038931700000000, -0.0004269100000000 ] - [ 0.0010282800000000, 0.0000011700000000, -0.0000603500000000 ] - [ -0.0009183700000000, -0.0000052000000000, -0.0003390700000000 ] - [ 0.0000697200000000, -0.0007658800000000, 0.0001385000000000 ] - [ -0.0004260100000000, 0.0001985000000000, -0.0003915400000000 ] - [ -0.0008105300000000, -0.0000074900000000, 0.0002434800000000 ] - [ -0.0006948900000000, -0.0003111600000000, 0.0001813800000000 ] - [ -0.0014352200000000, 0.0000201300000000, -0.0002207000000000 ] - [ 0.0028208100000000, -0.0003287200000000, -0.0010681300000000 ] - [ 0.0124292800000000, 0.0014454500000000, 0.0029451000000000 ] - [ -0.0009547800000000, 0.0000263300000000, -0.0000156800000000 ] - [ -0.0004603900000000, -0.0004172200000000, -0.0001809600000000 ] - [ 0.0003803600000000, 0.0004590400000000, -0.0044063800000000 ] - [ -0.0011220100000000, -0.0009464300000000, -0.0003668500000000 ] - [ -0.0004411800000000, 0.0004223200000000, -0.0001796700000000 ] - [ -0.0003657400000000, -0.0003910600000000, -0.0002973700000000 ] - [ 0.0020789700000000, 0.0018769000000000, 0.0013956700000000 ] - [ -0.0017817500000000, -0.0001860000000000, 0.0001745900000000 ] - [ -0.0011838200000000, 0.0000051300000000, -0.0003284200000000 ] - [ -0.0011367300000000, 0.0009475800000000, -0.0003701400000000 ] - [ 0.0097188800000000, 0.0011312600000000, 0.0016569400000000 ] - [ 0.0137709900000000, 0.0012372800000000, 0.0036644600000000 ] - [ -0.0009772200000000, -0.0003616100000000, -0.0002935200000000 ] - [ -0.0005147100000000, -0.0007165300000000, -0.0000131600000000 ] - [ -0.0005169800000000, -0.0000136900000000, -0.0003948800000000 ] - [ -0.0009129400000000, -0.0001354400000000, 0.0002491900000000 ] - [ 0.0068279200000000, 0.0036560000000000, -0.0025559000000000 ] - [ -0.0005200900000000, 0.0007226200000000, -0.0000037900000000 ] - [ -0.0007008200000000, 0.0003110300000000, 0.0001766500000000 ] - [ -0.0005727400000000, 0.0000038300000000, -0.0001329500000000 ] - [ -0.0009550700000000, -0.0000137400000000, 0.0000120800000000 ] - [ -0.0003973600000000, -0.0003072000000000, -0.0001928600000000 ] - [ -0.0012240200000000, -0.0005763600000000, -0.0000009200000000 ] - [ -0.0011544800000000, -0.0009649400000000, -0.0003832900000000 ] - [ -0.0005529400000000, 0.0004053800000000, -0.0001652800000000 ] - [ -0.0005027500000000, 0.0000083600000000, -0.0002047200000000 ] - [ -0.0012052100000000, 0.0005688000000000, -0.0000018100000000 ] - [ -0.0017055100000000, 0.0000127700000000, 0.0002180900000000 ] - [ -0.0011262000000000, 0.0002632000000000, 0.0003515800000000 ] - [ -0.0011318600000000, 0.0009446400000000, -0.0003687900000000 ] - [ -0.0003974000000000, 0.0000106000000000, -0.0003432500000000 ] - [ -0.0005541200000000, -0.0000078100000000, -0.0006775500000000 ]- atom: 5 displacement: [ -0.0099999817982353, 0.0000000000000000, -0.0000190797002540 ] forces: - [ -0.0006097300000000, -0.0000530000000000, -0.0000494400000000 ] - [ -0.0010462700000000, -0.0000642300000000, -0.0001314700000000 ] - [ -0.0006078200000000, 0.0000518400000000, -0.0000472400000000 ] - [ -0.0003021800000000, 0.0002102300000000, -0.0000365900000000 ] - [ 0.0409080200000000, 0.0074683500000000, -0.0077327400000000 ] - [ -0.0006715400000000, -0.0000314700000000, -0.0000764100000000 ] - [ -0.0096081500000000, -0.0034478700000000, 0.0060639700000000 ] - [ -0.0007376100000000, -0.0000042700000000, 0.0000923900000000 ] - [ -0.0001608400000000, -0.0000415000000000, -0.0000165200000000 ] - [ -0.0005013500000000, -0.0035070700000000, -0.0014810800000000 ] - [ -0.0014466900000000, 0.0010462800000000, -0.0008210400000000 ] - [ 0.0046011900000000, 0.0001472100000000, -0.0004680000000000 ] - [ 0.0014460400000000, -0.0015893100000000, -0.0007097400000000 ] - [ -0.0004277000000000, 0.0000403100000000, 0.0000003600000000 ] - [ -0.0004948800000000, 0.0000024100000000, 0.0001226700000000 ] - [ -0.0003421500000000, -0.0000543100000000, -0.0000609500000000 ] - [ -0.0003422400000000, 0.0000543600000000, -0.0000613000000000 ] - [ -0.0001703200000000, -0.0000015400000000, -0.0002260800000000 ] - [ 0.0001685900000000, 0.0007161900000000, 0.0000865500000000 ] - [ -0.0003809200000000, -0.0000372600000000, 0.0000068000000000 ] - [ -0.0005790200000000, -0.0000949900000000, -0.0000785500000000 ] - [ -0.0006450500000000, 0.0000031300000000, -0.0001715900000000 ] - [ -0.0006122400000000, 0.0000936600000000, -0.0000381300000000 ] - [ -0.0002566700000000, 0.0000012400000000, -0.0000552900000000 ] - [ -0.0003068300000000, 0.0001923500000000, -0.0001188200000000 ] - [ -0.0006780400000000, 0.0000010500000000, -0.0000960400000000 ] - [ -0.0003954100000000, 0.0001034500000000, -0.0001282500000000 ] - [ -0.0007229500000000, -0.0000241300000000, 0.0001137800000000 ] - [ -0.0006423100000000, -0.0000065000000000, -0.0001661700000000 ] - [ -0.0004094200000000, 0.0000038200000000, -0.0003017700000000 ] - [ -0.0006926000000000, 0.0000000400000000, -0.0002493900000000 ] - [ -0.0003064900000000, -0.0001921300000000, -0.0001183800000000 ] - [ -0.0005861200000000, 0.0000021100000000, 0.0000959400000000 ] - [ -0.0004143100000000, 0.0000274500000000, -0.0000039100000000 ] - [ -0.0005030900000000, 0.0000141500000000, 0.0001280300000000 ] - [ -0.0000995900000000, -0.0002176300000000, 0.0001363400000000 ] - [ -0.0007788800000000, 0.0000509200000000, -0.0001944300000000 ] - [ -0.0063921800000000, -0.0062914500000000, 0.0005371800000000 ] - [ -0.0003956200000000, -0.0001002300000000, -0.0001278100000000 ] - [ -0.0004035800000000, -0.0000244000000000, -0.0000051600000000 ] - [ -0.0011224500000000, 0.0000008800000000, -0.0000333800000000 ] - [ 0.0098703100000000, 0.0067819800000000, 0.0038138700000000 ] - [ -0.0013539800000000, -0.0011151000000000, -0.0004146500000000 ] - [ -0.0012818600000000, 0.0000081900000000, -0.0003066100000000 ] - [ -0.0013996100000000, 0.0001515900000000, -0.0001167200000000 ] - [ -0.0010137300000000, 0.0000005600000000, -0.0003298800000000 ] - [ -0.0014867100000000, -0.0000002100000000, -0.0001845900000000 ] - [ -0.0013201800000000, -0.0000124500000000, -0.0002814400000000 ] - [ -0.0010337600000000, 0.0000006800000000, 0.0000305100000000 ] - [ 0.0121541100000000, 0.0040887700000000, 0.0006857200000000 ] - [ -0.0042086000000000, 0.0038679400000000, 0.0007791600000000 ] - [ -0.0008145000000000, -0.0000006300000000, -0.0002750500000000 ] - [ 0.0005062800000000, -0.0000013900000000, 0.0001097100000000 ] - [ 0.0005357400000000, -0.0008501500000000, 0.0001899600000000 ] - [ 0.0015216700000000, -0.0002142500000000, -0.0001950200000000 ] - [ 0.0004024400000000, -0.0000003000000000, 0.0003788200000000 ] - [ 0.0006978000000000, -0.0002762600000000, -0.0001826700000000 ] - [ 0.0020695600000000, 0.0016243100000000, 0.0005684800000000 ] - [ -0.0027901500000000, 0.0009050100000000, 0.0010720400000000 ] - [ -0.0119948500000000, -0.0014014300000000, -0.0027569700000000 ] - [ 0.0005241200000000, -0.0000372600000000, 0.0001441500000000 ] - [ 0.0012372600000000, -0.0005794700000000, 0.0000063800000000 ] - [ -0.0012325200000000, -0.0014855100000000, 0.0046121200000000 ] - [ 0.0005146800000000, -0.0006980400000000, 0.0000223600000000 ] - [ 0.0012371300000000, 0.0005806600000000, 0.0000095200000000 ] - [ 0.0007947300000000, 0.0004054800000000, 0.0001549800000000 ] - [ -0.0028806700000000, -0.0008801200000000, -0.0012108400000000 ] - [ 0.0006849100000000, 0.0002021800000000, 0.0004194500000000 ] - [ 0.0005757300000000, 0.0000013200000000, 0.0006863200000000 ] - [ 0.0005246200000000, 0.0006870000000000, 0.0000376800000000 ] - [ -0.0094845000000000, -0.0010009600000000, -0.0021169800000000 ] - [ -0.0132575700000000, -0.0013911800000000, -0.0039641800000000 ] - [ 0.0005761200000000, 0.0003887900000000, 0.0000735700000000 ] - [ 0.0011315000000000, -0.0009147800000000, 0.0003468900000000 ] - [ 0.0016195300000000, 0.0000003800000000, -0.0001961100000000 ] - [ 0.0005071800000000, 0.0001734100000000, 0.0003713900000000 ] - [ -0.0063103400000000, -0.0042851800000000, 0.0028569800000000 ] - [ 0.0011293100000000, 0.0009153400000000, 0.0003478700000000 ] - [ 0.0006962600000000, 0.0002768500000000, -0.0001837800000000 ] - [ 0.0009890000000000, 0.0000003400000000, 0.0003796900000000 ] - [ 0.0005251000000000, 0.0000055600000000, 0.0001295100000000 ] - [ 0.0011796700000000, -0.0006835100000000, 0.0000225700000000 ] - [ 0.0004260200000000, -0.0004309600000000, 0.0001768900000000 ] - [ 0.0005417400000000, -0.0006718900000000, 0.0000370800000000 ] - [ 0.0013475100000000, 0.0006086000000000, -0.0000143000000000 ] - [ 0.0009368300000000, 0.0000019600000000, 0.0000741500000000 ] - [ 0.0004296400000000, 0.0004311500000000, 0.0001765500000000 ] - [ 0.0006104000000000, -0.0000025900000000, 0.0003707800000000 ] - [ 0.0005267500000000, -0.0003018300000000, 0.0000082500000000 ] - [ 0.0005260200000000, 0.0006781400000000, 0.0000360000000000 ] - [ 0.0008150200000000, 0.0000026000000000, -0.0002938100000000 ] - [ 0.0011681900000000, -0.0000015000000000, 0.0003158500000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002111500000000, -0.0000687100000000, 0.0000238400000000 ] - [ -0.0003514300000000, -0.0001046900000000, -0.0001709900000000 ] - [ -0.0002083800000000, 0.0000685100000000, 0.0000264800000000 ] - [ 0.0000041800000000, -0.0000160900000000, -0.0000287700000000 ] - [ -0.0071257200000000, -0.0494598800000000, 0.0155957900000000 ] - [ -0.0002998300000000, 0.0000008800000000, -0.0000393100000000 ] - [ 0.0026384200000000, -0.0039374500000000, -0.0014447200000000 ] - [ -0.0002808600000000, -0.0000016800000000, 0.0001691800000000 ] - [ -0.0004325100000000, 0.0001435900000000, -0.0001822900000000 ] - [ 0.0037016900000000, 0.0017053600000000, 0.0025633300000000 ] - [ -0.0012028300000000, -0.0000264100000000, -0.0007065000000000 ] - [ 0.0002939700000000, 0.0131755400000000, 0.0002541400000000 ] - [ 0.0030651900000000, 0.0001142900000000, 0.0009950500000000 ] - [ 0.0000206300000000, 0.0000152400000000, 0.0000668300000000 ] - [ -0.0000183500000000, -0.0000000300000000, 0.0001797500000000 ] - [ -0.0000822300000000, -0.0001059900000000, 0.0000109400000000 ] - [ -0.0000819100000000, 0.0001076600000000, 0.0000107600000000 ] - [ 0.0001311700000000, -0.0000009100000000, -0.0001758300000000 ] - [ 0.0001672600000000, 0.0027385400000000, -0.0003954700000000 ] - [ 0.0000195200000000, -0.0000108000000000, 0.0000609500000000 ] - [ -0.0002449600000000, -0.0000086900000000, 0.0000404700000000 ] - [ -0.0002358900000000, -0.0000103600000000, -0.0001092000000000 ] - [ -0.0002564700000000, 0.0000088400000000, 0.0000506400000000 ] - [ 0.0001126900000000, 0.0000018500000000, 0.0000045100000000 ] - [ -0.0000545800000000, 0.0001367400000000, -0.0000489500000000 ] - [ -0.0003078000000000, -0.0000013400000000, -0.0000366900000000 ] - [ -0.0000051100000000, 0.0000813700000000, -0.0000642600000000 ] - [ -0.0003397400000000, -0.0000019000000000, 0.0001096200000000 ] - [ -0.0002294900000000, 0.0000055800000000, -0.0000992200000000 ] - [ 0.0000396400000000, 0.0000034100000000, -0.0002138900000000 ] - [ -0.0002273400000000, 0.0000006500000000, -0.0002016600000000 ] - [ -0.0000545000000000, -0.0001345600000000, -0.0000492000000000 ] - [ -0.0002919700000000, 0.0000020700000000, 0.0001500600000000 ] - [ 0.0000351000000000, 0.0000219800000000, 0.0000821300000000 ] - [ -0.0000066400000000, 0.0000020600000000, 0.0001735800000000 ] - [ 0.0000868800000000, 0.0000037600000000, -0.0000598500000000 ] - [ -0.0000907800000000, 0.0000206100000000, -0.0001719200000000 ] - [ 0.0075384900000000, 0.0013450900000000, 0.0007014900000000 ] - [ -0.0000064700000000, -0.0000779300000000, -0.0000633600000000 ] - [ 0.0000153000000000, -0.0000107400000000, 0.0000680900000000 ] - [ -0.0002892700000000, -0.0000040800000000, 0.0001060700000000 ] - [ -0.0081577700000000, 0.0009714800000000, -0.0037076400000000 ] - [ 0.0001352100000000, 0.0001005300000000, 0.0001154400000000 ] - [ -0.0003104900000000, 0.0000069200000000, -0.0000630400000000 ] - [ 0.0003294800000000, 0.0000129400000000, 0.0006694200000000 ] - [ -0.0001600400000000, 0.0000029900000000, -0.0001839700000000 ] - [ -0.0003669800000000, -0.0000026700000000, 0.0000013800000000 ] - [ -0.0002356900000000, 0.0000053800000000, -0.0001135000000000 ] - [ -0.0003071800000000, 0.0000006700000000, 0.0001361400000000 ] - [ -0.0034453600000000, 0.0060021800000000, -0.0114021700000000 ] - [ -0.0023621700000000, 0.0011964900000000, -0.0007902200000000 ] - [ -0.0000815400000000, 0.0000000900000000, -0.0001885300000000 ] - [ -0.0000463800000000, 0.0000005600000000, -0.0000735100000000 ] - [ 0.0002993600000000, -0.0015915300000000, 0.0003095600000000 ] - [ 0.0009140200000000, 0.0000200000000000, -0.0002203000000000 ] - [ -0.0000828100000000, 0.0000061300000000, 0.0003327200000000 ] - [ 0.0001458100000000, -0.0003009300000000, -0.0000405100000000 ] - [ 0.0001464800000000, 0.0015395900000000, 0.0002665500000000 ] - [ -0.0006138600000000, -0.0038049500000000, -0.0011674200000000 ] - [ 0.0005335100000000, 0.0071755500000000, -0.0025002500000000 ] - [ -0.0000648000000000, -0.0000030000000000, 0.0000467900000000 ] - [ 0.0005559600000000, -0.0005083400000000, -0.0000716700000000 ] - [ 0.0012731400000000, 0.0049585700000000, -0.0010118700000000 ] - [ -0.0001112400000000, -0.0007764700000000, -0.0001277300000000 ] - [ 0.0005642900000000, 0.0005155400000000, -0.0000662600000000 ] - [ 0.0003450100000000, -0.0000324800000000, -0.0001208200000000 ] - [ 0.0016305900000000, -0.0030673900000000, -0.0006248800000000 ] - [ -0.0002989100000000, -0.0000086800000000, 0.0003167800000000 ] - [ -0.0001241000000000, -0.0000034300000000, 0.0002928000000000 ] - [ -0.0001095300000000, 0.0007735600000000, -0.0001199800000000 ] - [ 0.0004724800000000, 0.0058071600000000, 0.0008965200000000 ] - [ 0.0032450800000000, 0.0085270700000000, 0.0009742300000000 ] - [ -0.0014153100000000, 0.0001144300000000, -0.0001276400000000 ] - [ 0.0004793300000000, -0.0008361300000000, 0.0002000200000000 ] - [ 0.0007727000000000, -0.0000082000000000, -0.0002710300000000 ] - [ -0.0000487400000000, 0.0001081800000000, 0.0002029000000000 ] - [ -0.0003237900000000, 0.0062824900000000, 0.0001978100000000 ] - [ 0.0004747900000000, 0.0008420500000000, 0.0002068600000000 ] - [ 0.0001441300000000, 0.0003021300000000, -0.0000416200000000 ] - [ 0.0003599800000000, 0.0000030900000000, 0.0001842000000000 ] - [ -0.0000628700000000, -0.0000055500000000, 0.0000846700000000 ] - [ 0.0003992200000000, -0.0003278400000000, -0.0001311300000000 ] - [ -0.0002203600000000, -0.0004823100000000, 0.0001071000000000 ] - [ -0.0001195800000000, -0.0008015800000000, -0.0001324400000000 ] - [ 0.0004315400000000, 0.0003317200000000, -0.0001545700000000 ] - [ 0.0003664500000000, 0.0000092700000000, -0.0000319700000000 ] - [ -0.0002074200000000, 0.0004815500000000, 0.0001089200000000 ] - [ -0.0003063100000000, 0.0000079600000000, 0.0003060400000000 ] - [ -0.0000849900000000, -0.0000659700000000, 0.0008739700000000 ] - [ -0.0001178400000000, 0.0007986500000000, -0.0001242000000000 ] - [ 0.0003409100000000, 0.0000060400000000, -0.0003188500000000 ] - [ 0.0004926600000000, -0.0000048800000000, -0.0000847400000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000133900000000, -0.0000787700000000, 0.0000657100000000 ] - [ 0.0000673700000000, 0.0000686100000000, -0.0000259800000000 ] - [ 0.0000165200000000, 0.0000747100000000, 0.0000679800000000 ] - [ 0.0004093200000000, 0.0000236100000000, 0.0000831700000000 ] - [ 0.0076383100000000, 0.0498431200000000, -0.0157448700000000 ] - [ -0.0001165700000000, -0.0000051700000000, -0.0000087300000000 ] - [ -0.0023807900000000, 0.0041143600000000, 0.0013257000000000 ] - [ -0.0000350300000000, -0.0000038200000000, 0.0002107600000000 ] - [ 0.0001760500000000, -0.0001231800000000, 0.0000100500000000 ] - [ -0.0034172600000000, -0.0017003300000000, -0.0029607600000000 ] - [ 0.0009972800000000, 0.0000228400000000, 0.0003272400000000 ] - [ -0.0002782400000000, -0.0132437100000000, -0.0003190400000000 ] - [ -0.0034920200000000, -0.0001266000000000, -0.0006393700000000 ] - [ 0.0002269200000000, 0.0000101900000000, 0.0001107600000000 ] - [ 0.0002255600000000, -0.0000020200000000, 0.0001983900000000 ] - [ 0.0000567000000000, -0.0001343400000000, 0.0000481900000000 ] - [ 0.0000571200000000, 0.0001312800000000, 0.0000504600000000 ] - [ 0.0002911800000000, -0.0000022500000000, -0.0001489100000000 ] - [ 0.0000262900000000, -0.0028915800000000, 0.0003119400000000 ] - [ 0.0002213500000000, -0.0000078600000000, 0.0001015000000000 ] - [ 0.0000584000000000, -0.0001381400000000, 0.0000504300000000 ] - [ -0.0000354700000000, -0.0000246200000000, -0.0000814300000000 ] - [ 0.0000743100000000, 0.0001336000000000, 0.0000445100000000 ] - [ 0.0003080600000000, 0.0000010700000000, 0.0000387100000000 ] - [ 0.0000822600000000, 0.0001054600000000, -0.0000110200000000 ] - [ -0.0001105700000000, -0.0000055900000000, -0.0000086600000000 ] - [ 0.0001970400000000, 0.0000657200000000, -0.0000298300000000 ] - [ 0.0000309400000000, -0.0000013800000000, 0.0002733900000000 ] - [ -0.0000199000000000, 0.0000144600000000, -0.0000681200000000 ] - [ 0.0002771100000000, 0.0000014900000000, -0.0001691800000000 ] - [ 0.0000229000000000, -0.0000006200000000, -0.0001770100000000 ] - [ 0.0000832400000000, -0.0001075300000000, -0.0000102200000000 ] - [ -0.0001304600000000, 0.0000018500000000, 0.0001802300000000 ] - [ 0.0002562300000000, 0.0000158100000000, 0.0001157200000000 ] - [ 0.0002139000000000, -0.0000052400000000, 0.0002046400000000 ] - [ -0.0001102700000000, -0.0002475600000000, 0.0001320300000000 ] - [ 0.0000482800000000, 0.0002100900000000, 0.0002298400000000 ] - [ -0.0070748300000000, -0.0013834500000000, -0.0010476500000000 ] - [ 0.0001950500000000, -0.0000664400000000, -0.0000285900000000 ] - [ 0.0002245200000000, -0.0000064700000000, 0.0000984200000000 ] - [ 0.0001602300000000, -0.0000039300000000, 0.0001869800000000 ] - [ 0.0082961600000000, -0.0009916400000000, 0.0033673800000000 ] - [ -0.0002820600000000, -0.0001061700000000, -0.0000064600000000 ] - [ 0.0004645100000000, 0.0000037800000000, -0.0000406800000000 ] - [ -0.0004651200000000, -0.0000337800000000, -0.0003817900000000 ] - [ 0.0002914800000000, 0.0000000200000000, -0.0001094400000000 ] - [ 0.0002189000000000, -0.0000047300000000, 0.0001036900000000 ] - [ 0.0003857300000000, 0.0000092600000000, 0.0000066000000000 ] - [ 0.0000852700000000, -0.0000015000000000, 0.0001875900000000 ] - [ 0.0036732700000000, -0.0059883000000000, 0.0111895000000000 ] - [ 0.0021614500000000, -0.0011718700000000, 0.0011163500000000 ] - [ 0.0003081100000000, -0.0000010200000000, -0.0001363600000000 ] - [ -0.0003778400000000, -0.0000040100000000, -0.0001789300000000 ] - [ 0.0003062700000000, -0.0000228900000000, 0.0000115200000000 ] - [ 0.0001432700000000, -0.0000306100000000, -0.0003567100000000 ] - [ -0.0003318200000000, -0.0000008400000000, 0.0003128400000000 ] - [ -0.0001469500000000, -0.0002904300000000, 0.0000383200000000 ] - [ 0.0004501900000000, 0.0000776400000000, 0.0000599800000000 ] - [ 0.0006140500000000, 0.0043641700000000, 0.0011668600000000 ] - [ 0.0000326900000000, -0.0068542700000000, 0.0024202200000000 ] - [ -0.0003560300000000, -0.0000061800000000, 0.0000527500000000 ] - [ 0.0002255300000000, -0.0004879800000000, -0.0001061400000000 ] - [ -0.0020765000000000, -0.0059627000000000, 0.0011592100000000 ] - [ -0.0004923400000000, -0.0008521200000000, -0.0002030500000000 ] - [ 0.0002289000000000, 0.0004882400000000, -0.0001024200000000 ] - [ 0.0000750300000000, 0.0000411600000000, 0.0000141200000000 ] - [ -0.0024196100000000, 0.0040743100000000, 0.0008166900000000 ] - [ -0.0007606700000000, 0.0000184400000000, 0.0002629200000000 ] - [ -0.0004813200000000, 0.0000006400000000, 0.0000804500000000 ] - [ -0.0004892900000000, 0.0008452400000000, -0.0001995400000000 ] - [ -0.0002598800000000, -0.0055526600000000, -0.0013209600000000 ] - [ -0.0030795700000000, -0.0093392100000000, -0.0011296800000000 ] - [ 0.0010007400000000, -0.0000794100000000, -0.0001228300000000 ] - [ 0.0001240400000000, -0.0007820400000000, 0.0001197200000000 ] - [ 0.0002874300000000, -0.0000053900000000, -0.0003092300000000 ] - [ -0.0003651400000000, -0.0000666600000000, 0.0004430200000000 ] - [ 0.0002839300000000, -0.0068979000000000, -0.0002126600000000 ] - [ 0.0001219700000000, 0.0007824100000000, 0.0001216600000000 ] - [ -0.0001503500000000, 0.0002888100000000, 0.0000357200000000 ] - [ 0.0000624200000000, -0.0000000500000000, 0.0000813600000000 ] - [ -0.0003573800000000, -0.0000064000000000, 0.0000187900000000 ] - [ 0.0003832600000000, -0.0006620000000000, -0.0000381400000000 ] - [ -0.0005820600000000, -0.0005228800000000, 0.0000654900000000 ] - [ -0.0004890400000000, -0.0008238100000000, -0.0002006400000000 ] - [ 0.0003636500000000, 0.0006780900000000, -0.0000223800000000 ] - [ 0.0000545900000000, 0.0000021500000000, -0.0000701900000000 ] - [ -0.0005753300000000, 0.0005185100000000, 0.0000652400000000 ] - [ -0.0007525900000000, 0.0000040200000000, 0.0002711800000000 ] - [ -0.0005164100000000, 0.0000132800000000, -0.0005013600000000 ] - [ -0.0004818700000000, 0.0008135100000000, -0.0001941500000000 ] - [ 0.0000772300000000, 0.0000019300000000, -0.0003367800000000 ] - [ 0.0001147000000000, -0.0000038500000000, -0.0002960300000000 ]- atom: 5 displacement: [ -0.0016676867133328, 0.0000000000000000, 0.0098599604982055 ] forces: - [ -0.0000514500000000, -0.0000772900000000, 0.0000519500000000 ] - [ 0.0005792500000000, 0.0000925100000000, 0.0002604600000000 ] - [ -0.0000509500000000, 0.0000768500000000, 0.0000538300000000 ] - [ 0.0001476700000000, -0.0000717100000000, 0.0000981300000000 ] - [ 0.0142241300000000, 0.0164772900000000, -0.0407249000000000 ] - [ -0.0001518300000000, 0.0000099200000000, 0.0000342800000000 ] - [ -0.0077717800000000, -0.0014135000000000, 0.0017811000000000 ] - [ -0.0001105400000000, -0.0000031600000000, 0.0002000200000000 ] - [ -0.0001047300000000, 0.0000179000000000, 0.0000943000000000 ] - [ 0.0018508700000000, 0.0023040000000000, -0.0010036200000000 ] - [ 0.0001320500000000, -0.0004814700000000, -0.0010712100000000 ] - [ 0.0012217400000000, -0.0003609900000000, -0.0029836800000000 ] - [ 0.0004526900000000, 0.0011985100000000, 0.0038694800000000 ] - [ 0.0001570300000000, 0.0000205500000000, 0.0001057600000000 ] - [ 0.0001571100000000, -0.0000006400000000, 0.0001748900000000 ] - [ 0.0000193600000000, -0.0001246800000000, 0.0000412500000000 ] - [ 0.0000199900000000, 0.0001253900000000, 0.0000419400000000 ] - [ 0.0002535400000000, -0.0000013000000000, -0.0001508900000000 ] - [ -0.0008627700000000, 0.0005165700000000, 0.0003367600000000 ] - [ 0.0001456400000000, -0.0000204900000000, 0.0000972400000000 ] - [ -0.0000174700000000, -0.0001041800000000, 0.0000462200000000 ] - [ -0.0000803100000000, -0.0000168200000000, -0.0000849800000000 ] - [ 0.0000023800000000, 0.0000997700000000, 0.0000324600000000 ] - [ 0.0002591800000000, 0.0000005200000000, 0.0000249200000000 ] - [ 0.0000512900000000, 0.0001077100000000, -0.0000246600000000 ] - [ -0.0001603700000000, -0.0000022700000000, -0.0000136000000000 ] - [ 0.0001603700000000, 0.0000747500000000, -0.0000319100000000 ] - [ -0.0000715400000000, 0.0000200200000000, 0.0002391600000000 ] - [ -0.0000607200000000, 0.0000103100000000, -0.0000694200000000 ] - [ 0.0002289500000000, 0.0000032500000000, -0.0001829900000000 ] - [ -0.0000341000000000, -0.0000006200000000, -0.0001847400000000 ] - [ 0.0000497000000000, -0.0001068400000000, -0.0000261200000000 ] - [ -0.0001757200000000, 0.0000012400000000, 0.0001652100000000 ] - [ 0.0002078300000000, 0.0000192300000000, 0.0001040800000000 ] - [ 0.0001475800000000, -0.0000090200000000, 0.0002078500000000 ] - [ -0.0001337600000000, -0.0002234600000000, 0.0001253700000000 ] - [ 0.0000658300000000, 0.0002900800000000, 0.0004925900000000 ] - [ -0.0018956700000000, -0.0010230500000000, -0.0031424900000000 ] - [ 0.0001618600000000, -0.0000717900000000, -0.0000332200000000 ] - [ 0.0001578700000000, -0.0000030600000000, 0.0000778800000000 ] - [ 0.0000371100000000, -0.0000024900000000, 0.0001663900000000 ] - [ 0.0022238200000000, -0.0082161400000000, 0.0213075300000000 ] - [ -0.0001460300000000, 0.0003320100000000, -0.0005256400000000 ] - [ 0.0003711500000000, 0.0000100800000000, -0.0001131800000000 ] - [ -0.0003976600000000, -0.0000852500000000, -0.0004064500000000 ] - [ 0.0001830300000000, 0.0000017100000000, -0.0001263800000000 ] - [ 0.0000687200000000, -0.0000013400000000, 0.0000759000000000 ] - [ 0.0002334900000000, 0.0000159500000000, -0.0000106200000000 ] - [ -0.0000205600000000, 0.0000000500000000, 0.0001731400000000 ] - [ 0.0012284000000000, -0.0092709000000000, 0.0156832700000000 ] - [ -0.0004651700000000, -0.0009657700000000, -0.0016104300000000 ] - [ 0.0002140800000000, -0.0000005900000000, -0.0001467500000000 ] - [ -0.0002897600000000, -0.0000000600000000, -0.0001558900000000 ] - [ 0.0009017200000000, -0.0010254900000000, 0.0002850100000000 ] - [ 0.0000968000000000, 0.0001440600000000, -0.0003371400000000 ] - [ -0.0002697300000000, 0.0000032600000000, 0.0003246400000000 ] - [ -0.0000712700000000, -0.0002913500000000, 0.0000193200000000 ] - [ 0.0006114200000000, 0.0007713000000000, 0.0000920900000000 ] - [ 0.0004028500000000, -0.0002970500000000, -0.0004778100000000 ] - [ -0.0025515800000000, -0.0030569100000000, 0.0051739000000000 ] - [ -0.0002692000000000, 0.0000054600000000, 0.0000890300000000 ] - [ 0.0003203300000000, -0.0004909100000000, -0.0000977300000000 ] - [ -0.0044570500000000, 0.0004795700000000, -0.0066292200000000 ] - [ -0.0004214400000000, -0.0008444100000000, -0.0001847200000000 ] - [ 0.0003259200000000, 0.0004943300000000, -0.0000946700000000 ] - [ -0.0001597500000000, -0.0002429200000000, 0.0001934600000000 ] - [ -0.0008557900000000, 0.0015281900000000, -0.0018783500000000 ] - [ -0.0004905200000000, -0.0000431000000000, 0.0003681800000000 ] - [ -0.0003924200000000, -0.0000013000000000, 0.0001310000000000 ] - [ -0.0004354900000000, 0.0008486100000000, -0.0001887600000000 ] - [ -0.0007942700000000, 0.0004070600000000, 0.0009552300000000 ] - [ -0.0020370000000000, 0.0000976800000000, 0.0040617900000000 ] - [ 0.0008311700000000, 0.0000939900000000, -0.0000456500000000 ] - [ 0.0002090000000000, -0.0007957700000000, 0.0001393900000000 ] - [ 0.0004033800000000, -0.0000061300000000, -0.0003001400000000 ] - [ -0.0003827800000000, -0.0001296500000000, 0.0004391400000000 ] - [ -0.0010907800000000, 0.0017607100000000, 0.0047435800000000 ] - [ 0.0002071800000000, 0.0007982600000000, 0.0001419500000000 ] - [ -0.0000728200000000, 0.0002907500000000, 0.0000184100000000 ] - [ 0.0001343600000000, 0.0000021000000000, 0.0001010000000000 ] - [ -0.0002738600000000, -0.0000097500000000, 0.0000261400000000 ] - [ 0.0004658800000000, -0.0005792400000000, -0.0000197700000000 ] - [ -0.0004957400000000, -0.0005116400000000, 0.0000729800000000 ] - [ -0.0004074300000000, -0.0008182700000000, -0.0001846000000000 ] - [ 0.0003914600000000, 0.0006661300000000, 0.0000095400000000 ] - [ 0.0001282600000000, 0.0000045700000000, -0.0000567300000000 ] - [ -0.0004876900000000, 0.0005104700000000, 0.0000742800000000 ] - [ -0.0006322300000000, 0.0000082900000000, 0.0002792200000000 ] - [ -0.0006947600000000, 0.0002529700000000, 0.0001667800000000 ] - [ -0.0003875600000000, 0.0008082500000000, -0.0001774300000000 ] - [ 0.0001371600000000, 0.0000039000000000, -0.0003358200000000 ] - [ 0.0002034200000000, -0.0000032900000000, -0.0002371300000000 ]- atom: 5 displacement: [ 0.0016676867133328, 0.0000000000000000, -0.0098599604982055 ] forces: - [ -0.0001431800000000, -0.0000706700000000, 0.0000331000000000 ] - [ -0.0008678400000000, -0.0001271700000000, -0.0004568100000000 ] - [ -0.0001390200000000, 0.0000686100000000, 0.0000356800000000 ] - [ 0.0002622000000000, 0.0000789700000000, -0.0000462200000000 ] - [ -0.0141726200000000, -0.0168640700000000, 0.0407959900000000 ] - [ -0.0002636300000000, -0.0000139400000000, -0.0000799800000000 ] - [ 0.0079330000000000, 0.0015576400000000, -0.0019191300000000 ] - [ -0.0002155000000000, -0.0000027900000000, 0.0001837400000000 ] - [ -0.0001348500000000, 0.0000002500000000, -0.0002567200000000 ] - [ -0.0015281500000000, -0.0022998400000000, 0.0006376900000000 ] - [ -0.0003313500000000, 0.0004845600000000, 0.0006957900000000 ] - [ -0.0011930400000000, 0.0000925800000000, 0.0029194300000000 ] - [ -0.0008565100000000, -0.0011726800000000, -0.0035216800000000 ] - [ 0.0000728200000000, -0.0000012800000000, 0.0000621100000000 ] - [ 0.0000438600000000, 0.0000000400000000, 0.0002036400000000 ] - [ -0.0000473800000000, -0.0001152600000000, 0.0000200400000000 ] - [ -0.0000464300000000, 0.0001148700000000, 0.0000224800000000 ] - [ 0.0001724100000000, -0.0000020800000000, -0.0001702600000000 ] - [ 0.0010677400000000, -0.0006687000000000, -0.0004213200000000 ] - [ 0.0000922200000000, 0.0000014600000000, 0.0000609400000000 ] - [ -0.0001706600000000, -0.0000426500000000, 0.0000411100000000 ] - [ -0.0001788800000000, -0.0000109600000000, -0.0000986700000000 ] - [ -0.0001861600000000, 0.0000426900000000, 0.0000581100000000 ] - [ 0.0001594000000000, 0.0000014100000000, 0.0000146600000000 ] - [ -0.0000211000000000, 0.0001281500000000, -0.0000410000000000 ] - [ -0.0002581100000000, -0.0000012000000000, -0.0000318100000000 ] - [ 0.0000303000000000, 0.0000754700000000, -0.0000587300000000 ] - [ -0.0002512000000000, -0.0000259700000000, 0.0001447900000000 ] - [ -0.0001715700000000, 0.0000063700000000, -0.0000883300000000 ] - [ 0.0000951700000000, 0.0000028800000000, -0.0002041300000000 ] - [ -0.0001670900000000, 0.0000003600000000, -0.0001965000000000 ] - [ -0.0000206600000000, -0.0001281200000000, -0.0000414100000000 ] - [ -0.0002531900000000, 0.0000012700000000, 0.0001553900000000 ] - [ 0.0000852000000000, 0.0000169000000000, 0.0000897600000000 ] - [ 0.0000528600000000, 0.0000083400000000, 0.0001708600000000 ] - [ 0.0001066300000000, -0.0000120500000000, -0.0000407700000000 ] - [ -0.0001157400000000, -0.0000666100000000, -0.0004310200000000 ] - [ 0.0022782500000000, 0.0009945800000000, 0.0028374200000000 ] - [ 0.0000281000000000, -0.0000735600000000, -0.0000573800000000 ] - [ 0.0000781200000000, -0.0000123600000000, 0.0000804200000000 ] - [ -0.0001651600000000, -0.0000027200000000, 0.0001241500000000 ] - [ -0.0021556300000000, 0.0084207900000000, -0.0217196100000000 ] - [ -0.0000008000000000, -0.0003421800000000, 0.0006321500000000 ] - [ -0.0002192100000000, -0.0000021400000000, 0.0000110300000000 ] - [ 0.0002651300000000, 0.0000711700000000, 0.0006959300000000 ] - [ -0.0000530600000000, -0.0000001500000000, -0.0001675700000000 ] - [ -0.0002216800000000, -0.0000023700000000, 0.0000246400000000 ] - [ -0.0000847600000000, -0.0000059400000000, -0.0000937800000000 ] - [ -0.0002076800000000, 0.0000002000000000, 0.0001432000000000 ] - [ -0.0009368600000000, 0.0091001000000000, -0.0159731200000000 ] - [ 0.0002264100000000, 0.0009783500000000, 0.0019279800000000 ] - [ 0.0000112700000000, -0.0000001600000000, -0.0001732400000000 ] - [ -0.0001413300000000, -0.0000020800000000, -0.0001039600000000 ] - [ -0.0003104500000000, -0.0005830600000000, 0.0000289600000000 ] - [ 0.0009479000000000, -0.0001548500000000, -0.0002370000000000 ] - [ -0.0001466600000000, 0.0000008000000000, 0.0003323000000000 ] - [ 0.0000768900000000, -0.0002892400000000, -0.0000177500000000 ] - [ -0.0000191800000000, 0.0008452400000000, 0.0002322400000000 ] - [ -0.0004012700000000, 0.0008830800000000, 0.0005191300000000 ] - [ 0.0031688800000000, 0.0035000400000000, -0.0053702500000000 ] - [ -0.0001451600000000, -0.0000101700000000, -0.0000016700000000 ] - [ 0.0004696900000000, -0.0005103600000000, -0.0000801800000000 ] - [ 0.0037148100000000, -0.0014940400000000, 0.0068074600000000 ] - [ -0.0001723800000000, -0.0007747200000000, -0.0001399300000000 ] - [ 0.0004720700000000, 0.0005132300000000, -0.0000767200000000 ] - [ 0.0005750500000000, 0.0002552100000000, -0.0002869500000000 ] - [ 0.0000565700000000, -0.0005300300000000, 0.0020665700000000 ] - [ -0.0005545600000000, 0.0000493400000000, 0.0002064400000000 ] - [ -0.0002104200000000, 0.0000006300000000, 0.0002387800000000 ] - [ -0.0001565200000000, 0.0007644600000000, -0.0001305800000000 ] - [ 0.0009836100000000, -0.0001890600000000, -0.0013548900000000 ] - [ 0.0026184600000000, -0.0001312000000000, -0.0043831900000000 ] - [ -0.0012627200000000, -0.0000673000000000, -0.0002053100000000 ] - [ 0.0003868100000000, -0.0008151700000000, 0.0001775500000000 ] - [ 0.0006406200000000, -0.0000011600000000, -0.0002767500000000 ] - [ -0.0000277500000000, 0.0001640400000000, 0.0002117400000000 ] - [ 0.0011693100000000, -0.0023553500000000, -0.0046469500000000 ] - [ 0.0003843900000000, 0.0008171300000000, 0.0001790900000000 ] - [ 0.0000728100000000, 0.0002892300000000, -0.0000208400000000 ] - [ 0.0002967500000000, 0.0000029100000000, 0.0001514500000000 ] - [ -0.0001397100000000, 0.0000024200000000, 0.0000615300000000 ] - [ 0.0003250900000000, -0.0004159600000000, -0.0001507200000000 ] - [ -0.0003078000000000, -0.0004943600000000, 0.0000952100000000 ] - [ -0.0001913400000000, -0.0007974600000000, -0.0001411800000000 ] - [ 0.0004055200000000, 0.0003446200000000, -0.0001849500000000 ] - [ 0.0002864100000000, 0.0000024800000000, -0.0000324400000000 ] - [ -0.0003014700000000, 0.0004932500000000, 0.0000961200000000 ] - [ -0.0004084600000000, -0.0000010300000000, 0.0002934300000000 ] - [ 0.0001003100000000, -0.0002913100000000, 0.0002030500000000 ] - [ -0.0002043200000000, 0.0007991600000000, -0.0001395000000000 ] - [ 0.0002723600000000, 0.0000045100000000, -0.0003185500000000 ] - [ 0.0003947800000000, -0.0000042900000000, -0.0001338400000000 ]- atom: 8 displacement: [ 0.0099999817982353, 0.0000000000000000, 0.0000190797002540 ] forces: - [ -0.0062469200000000, -0.0003729200000000, -0.0030356400000000 ] - [ 0.0007720200000000, -0.0002174100000000, 0.0000953900000000 ] - [ -0.0062469200000000, 0.0003729200000000, -0.0030356400000000 ] - [ 0.0015881000000000, 0.0000000000000000, 0.0008159900000000 ] - [ 0.0005894400000000, 0.0000012200000000, 0.0001260100000000 ] - [ -0.0003541800000000, 0.0000000000000000, -0.0001476800000000 ] - [ 0.0009991700000000, 0.0000401900000000, 0.0001173900000000 ] - [ -0.0244907200000000, 0.0000000000000000, -0.0031531000000000 ] - [ 0.0007720200000000, 0.0002174100000000, 0.0000953900000000 ] - [ 0.0011311300000000, 0.0000000000000000, -0.0000399600000000 ] - [ 0.0012344800000000, 0.0000000000000000, -0.0001014300000000 ] - [ 0.0005894400000000, -0.0000012200000000, 0.0001260100000000 ] - [ 0.0004565500000000, 0.0000000000000000, 0.0002754800000000 ] - [ -0.0015573500000000, -0.0047128900000000, 0.0025651500000000 ] - [ -0.0041769300000000, 0.0000000000000000, 0.0008713000000000 ] - [ 0.0006535100000000, 0.0034226100000000, 0.0018360100000000 ] - [ 0.0006535100000000, -0.0034226100000000, 0.0018360100000000 ] - [ -0.0001753000000000, 0.0000000000000000, 0.0000071500000000 ] - [ 0.0009991700000000, -0.0000401900000000, 0.0001173900000000 ] - [ -0.0015573500000000, 0.0047128900000000, 0.0025651500000000 ] - [ 0.0007853700000000, -0.0001179300000000, 0.0001978600000000 ] - [ 0.0008042100000000, -0.0000415000000000, 0.0000674200000000 ] - [ 0.0007853700000000, 0.0001179300000000, 0.0001978600000000 ] - [ 0.0010345300000000, 0.0000000000000000, 0.0001513100000000 ] - [ 0.0005757900000000, -0.0000621300000000, 0.0001612500000000 ] - [ 0.0006133200000000, 0.0000000000000000, 0.0001114800000000 ] - [ 0.0009991300000000, 0.0000081000000000, 0.0001085800000000 ] - [ 0.0008527300000000, 0.0000000000000000, 0.0003797500000000 ] - [ 0.0008042100000000, 0.0000415000000000, 0.0000674200000000 ] - [ 0.0011939200000000, 0.0000000000000000, 0.0000021600000000 ] - [ 0.0009422900000000, 0.0000000000000000, -0.0000881500000000 ] - [ 0.0005757900000000, 0.0000621300000000, 0.0001612500000000 ] - [ -0.0001432500000000, 0.0000000000000000, -0.0001762700000000 ] - [ 0.0010360700000000, -0.0000207800000000, 0.0002302800000000 ] - [ 0.0011475400000000, 0.0000000000000000, 0.0002940100000000 ] - [ 0.0005566600000000, -0.0002425400000000, 0.0001892500000000 ] - [ 0.0005566600000000, 0.0002425400000000, 0.0001892500000000 ] - [ 0.0008775100000000, 0.0000000000000000, -0.0000441900000000 ] - [ 0.0009991300000000, -0.0000081000000000, 0.0001085800000000 ] - [ 0.0010360700000000, 0.0000207800000000, 0.0002302800000000 ] - [ -0.0037259900000000, 0.0000000000000000, -0.0019188800000000 ] - [ 0.0019480000000000, 0.0000000000000000, 0.0001790000000000 ] - [ 0.0008554700000000, 0.0000000000000000, 0.0004419000000000 ] - [ 0.0120765200000000, 0.0000000000000000, -0.0101421300000000 ] - [ 0.0018291300000000, 0.0000000000000000, 0.0004691500000000 ] - [ 0.0017597100000000, 0.0000000000000000, 0.0000197300000000 ] - [ 0.0024101500000000, 0.0000000000000000, 0.0004662400000000 ] - [ 0.0025607900000000, 0.0000000000000000, 0.0003626200000000 ] - [ 0.0034772300000000, 0.0000000000000000, -0.0022835900000000 ] - [ 0.0017410800000000, 0.0000000000000000, 0.0000602700000000 ] - [ 0.0015258000000000, 0.0000000000000000, 0.0003698200000000 ] - [ 0.0017137900000000, 0.0000000000000000, 0.0002852200000000 ] - [ 0.0025541600000000, 0.0000000000000000, 0.0013846800000000 ] - [ -0.0010424800000000, -0.0012363100000000, -0.0001999700000000 ] - [ -0.0014317000000000, 0.0000000000000000, 0.0006574600000000 ] - [ 0.0033843500000000, 0.0000000000000000, 0.0003022800000000 ] - [ -0.0010072200000000, 0.0008600000000000, 0.0009067400000000 ] - [ -0.0010424800000000, 0.0012363100000000, -0.0001999700000000 ] - [ -0.0012318800000000, 0.0002889200000000, 0.0003233800000000 ] - [ -0.0010865700000000, 0.0000000000000000, -0.0002916800000000 ] - [ -0.0079728700000000, 0.0000000000000000, -0.0014935700000000 ] - [ 0.0101974700000000, -0.0039862500000000, -0.0003337400000000 ] - [ -0.0018526700000000, -0.0006100100000000, -0.0000806600000000 ] - [ 0.0009647300000000, 0.0029976600000000, 0.0039770200000000 ] - [ 0.0101974700000000, 0.0039862500000000, -0.0003337400000000 ] - [ -0.0005631200000000, 0.0000000000000000, -0.0001854500000000 ] - [ -0.0018526700000000, 0.0006100100000000, -0.0000806600000000 ] - [ 0.0008311900000000, 0.0000000000000000, 0.0004695900000000 ] - [ 0.0102196100000000, 0.0000000000000000, 0.0041818800000000 ] - [ 0.0009647300000000, -0.0029976600000000, 0.0039770200000000 ] - [ -0.0008545100000000, 0.0000000000000000, -0.0004121700000000 ] - [ -0.0012484200000000, 0.0000000000000000, -0.0010821800000000 ] - [ -0.0015513000000000, 0.0000000000000000, -0.0005743700000000 ] - [ -0.0011818100000000, -0.0005928100000000, -0.0001847600000000 ] - [ -0.0014690300000000, 0.0000000000000000, -0.0004340200000000 ] - [ -0.0012928200000000, 0.0000000000000000, 0.0002584200000000 ] - [ -0.0012318800000000, -0.0002889200000000, 0.0003233800000000 ] - [ -0.0011818100000000, 0.0005928100000000, -0.0001847600000000 ] - [ -0.0010072200000000, -0.0008600000000000, 0.0009067400000000 ] - [ -0.0006925300000000, 0.0000000000000000, -0.0002086200000000 ] - [ -0.0014964000000000, 0.0000000000000000, -0.0001556600000000 ] - [ -0.0010756700000000, -0.0003683100000000, -0.0002534200000000 ] - [ -0.0018192300000000, -0.0005724900000000, -0.0000516800000000 ] - [ -0.0017660700000000, -0.0009999000000000, -0.0004876100000000 ] - [ -0.0010756700000000, 0.0003683100000000, -0.0002534200000000 ] - [ -0.0010866800000000, 0.0000000000000000, -0.0002113200000000 ] - [ -0.0018192300000000, 0.0005724900000000, -0.0000516800000000 ] - [ -0.0024651400000000, 0.0000000000000000, 0.0001274300000000 ] - [ -0.0018469400000000, 0.0000000000000000, -0.0006890500000000 ] - [ -0.0017660700000000, 0.0009999000000000, -0.0004876100000000 ] - [ -0.0008418700000000, 0.0000000000000000, -0.0003803800000000 ] - [ -0.0012974100000000, 0.0000000000000000, -0.0012789500000000 ]- atom: 8 displacement: [ -0.0099999817982353, 0.0000000000000000, -0.0000190797002540 ] forces: - [ 0.0060230200000000, 0.0002413400000000, 0.0031364400000000 ] - [ -0.0010047000000000, 0.0001955100000000, -0.0002612500000000 ] - [ 0.0060230200000000, -0.0002413400000000, 0.0031364400000000 ] - [ -0.0011611200000000, 0.0000000000000000, -0.0007769200000000 ] - [ -0.0005552000000000, 0.0002424800000000, -0.0001859700000000 ] - [ -0.0000723600000000, 0.0000000000000000, 0.0001035700000000 ] - [ -0.0007956400000000, 0.0001098300000000, -0.0002026600000000 ] - [ 0.0240198700000000, 0.0000000000000000, 0.0038833900000000 ] - [ -0.0010047000000000, -0.0001955100000000, -0.0002612500000000 ] - [ -0.0008139600000000, 0.0000000000000000, -0.0003510800000000 ] - [ -0.0014351500000000, 0.0000000000000000, -0.0002784500000000 ] - [ -0.0005552000000000, -0.0002424800000000, -0.0001859700000000 ] - [ -0.0008797600000000, 0.0000000000000000, 0.0000446500000000 ] - [ 0.0017725500000000, 0.0047029000000000, -0.0023702300000000 ] - [ 0.0043409300000000, 0.0000000000000000, -0.0004848000000000 ] - [ -0.0006830000000000, -0.0037031700000000, -0.0018010700000000 ] - [ -0.0006830000000000, 0.0037031700000000, -0.0018010700000000 ] - [ 0.0006030700000000, 0.0000000000000000, -0.0003257300000000 ] - [ -0.0007956400000000, -0.0001098300000000, -0.0002026600000000 ] - [ 0.0017725500000000, -0.0047029000000000, -0.0023702300000000 ] - [ -0.0009867600000000, -0.0000314200000000, -0.0001121800000000 ] - [ -0.0010326200000000, 0.0000203300000000, -0.0002308100000000 ] - [ -0.0009867600000000, 0.0000314200000000, -0.0001121800000000 ] - [ -0.0006108600000000, 0.0000000000000000, -0.0001135300000000 ] - [ -0.0005414700000000, 0.0003044100000000, -0.0002213900000000 ] - [ -0.0010340900000000, 0.0000000000000000, -0.0001539800000000 ] - [ -0.0007969800000000, 0.0001404000000000, -0.0001944000000000 ] - [ -0.0011681300000000, 0.0000000000000000, 0.0000124300000000 ] - [ -0.0010326200000000, -0.0000203300000000, -0.0002308100000000 ] - [ -0.0008766100000000, 0.0000000000000000, -0.0003919100000000 ] - [ -0.0011430900000000, 0.0000000000000000, -0.0002919300000000 ] - [ -0.0005414700000000, -0.0003044100000000, -0.0002213900000000 ] - [ -0.0002748400000000, 0.0000000000000000, 0.0004965300000000 ] - [ -0.0008056000000000, 0.0000421200000000, -0.0000669000000000 ] - [ -0.0009442000000000, 0.0000000000000000, 0.0000869400000000 ] - [ -0.0005897000000000, -0.0000016100000000, -0.0001279800000000 ] - [ -0.0005897000000000, 0.0000016100000000, -0.0001279800000000 ] - [ -0.0004543700000000, 0.0000000000000000, -0.0002732500000000 ] - [ -0.0007969800000000, -0.0001404000000000, -0.0001944000000000 ] - [ -0.0008056000000000, -0.0000421200000000, -0.0000669000000000 ] - [ 0.0036896000000000, 0.0000000000000000, 0.0022128600000000 ] - [ -0.0018331000000000, 0.0000000000000000, -0.0004747300000000 ] - [ -0.0010104000000000, 0.0000000000000000, -0.0003361000000000 ] - [ -0.0117057400000000, 0.0000000000000000, 0.0099306500000000 ] - [ -0.0019373600000000, 0.0000000000000000, -0.0001732300000000 ] - [ -0.0016456500000000, 0.0000000000000000, -0.0003151200000000 ] - [ -0.0025581100000000, 0.0000000000000000, -0.0003607700000000 ] - [ -0.0024027000000000, 0.0000000000000000, -0.0004638700000000 ] - [ -0.0037025000000000, 0.0000000000000000, 0.0026530400000000 ] - [ -0.0015232500000000, 0.0000000000000000, -0.0003737100000000 ] - [ -0.0017371500000000, 0.0000000000000000, -0.0000563500000000 ] - [ -0.0015007600000000, 0.0000000000000000, -0.0005945400000000 ] - [ -0.0030467500000000, 0.0000000000000000, -0.0016663300000000 ] - [ 0.0016294000000000, -0.0003584100000000, 0.0005052400000000 ] - [ 0.0024354300000000, 0.0000000000000000, -0.0012179100000000 ] - [ -0.0038394800000000, 0.0000000000000000, 0.0003739300000000 ] - [ 0.0010076800000000, -0.0014518200000000, -0.0009171600000000 ] - [ 0.0016294000000000, 0.0003584100000000, 0.0005052400000000 ] - [ 0.0012289900000000, 0.0002868700000000, -0.0003210200000000 ] - [ 0.0015418400000000, 0.0000000000000000, 0.0005642400000000 ] - [ 0.0076161300000000, 0.0000000000000000, 0.0015405900000000 ] - [ -0.0093497600000000, 0.0028509800000000, 0.0000991800000000 ] - [ 0.0010614400000000, -0.0003933700000000, 0.0002595700000000 ] - [ -0.0015402600000000, -0.0045563000000000, -0.0042394100000000 ] - [ -0.0093497600000000, -0.0028509800000000, 0.0000991800000000 ] - [ 0.0009723500000000, 0.0000000000000000, 0.0001179700000000 ] - [ 0.0010614400000000, 0.0003933700000000, 0.0002595700000000 ] - [ -0.0018229400000000, 0.0000000000000000, 0.0000992100000000 ] - [ -0.0109666800000000, 0.0000000000000000, -0.0040724000000000 ] - [ -0.0015402600000000, 0.0045563000000000, -0.0042394100000000 ] - [ 0.0012840800000000, 0.0000000000000000, -0.0002507600000000 ] - [ 0.0018553700000000, 0.0000000000000000, 0.0006903300000000 ] - [ 0.0010905300000000, 0.0000000000000000, 0.0002962600000000 ] - [ 0.0017669300000000, -0.0009968600000000, 0.0004888900000000 ] - [ 0.0024713100000000, 0.0000000000000000, -0.0001300800000000 ] - [ 0.0008589600000000, 0.0000000000000000, 0.0004074200000000 ] - [ 0.0012289900000000, -0.0002868700000000, -0.0003210200000000 ] - [ 0.0017669300000000, 0.0009968600000000, 0.0004888900000000 ] - [ 0.0010076800000000, 0.0014518200000000, -0.0009171600000000 ] - [ 0.0011447700000000, 0.0000000000000000, 0.0004808900000000 ] - [ 0.0010823900000000, 0.0000000000000000, 0.0002192500000000 ] - [ 0.0018588200000000, -0.0006347700000000, 0.0000739500000000 ] - [ 0.0010306900000000, -0.0004288500000000, 0.0002299800000000 ] - [ 0.0011730500000000, -0.0005954200000000, 0.0001818700000000 ] - [ 0.0018588200000000, 0.0006347700000000, 0.0000739500000000 ] - [ 0.0014924900000000, 0.0000000000000000, 0.0001453900000000 ] - [ 0.0010306900000000, 0.0004288500000000, 0.0002299800000000 ] - [ 0.0014535700000000, 0.0000000000000000, 0.0004392900000000 ] - [ 0.0012329700000000, 0.0000000000000000, 0.0010779200000000 ] - [ 0.0011730500000000, 0.0005954200000000, 0.0001818700000000 ] - [ 0.0012699500000000, 0.0000000000000000, -0.0002809600000000 ] - [ 0.0019037200000000, 0.0000000000000000, 0.0008863200000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001703900000000, 0.0006129300000000, 0.0033395800000000 ] - [ -0.0002752400000000, -0.0000189000000000, -0.0001286800000000 ] - [ -0.0003631200000000, 0.0007233900000000, -0.0032921600000000 ] - [ 0.0002083000000000, -0.0001190100000000, 0.0000205100000000 ] - [ 0.0000195100000000, 0.0001191600000000, -0.0000311600000000 ] - [ -0.0002072000000000, 0.0012996800000000, -0.0000210000000000 ] - [ 0.0001083600000000, 0.0000735400000000, -0.0000436300000000 ] - [ 0.0000835300000000, -0.0699159500000000, -0.0006749300000000 ] - [ 0.0000138800000000, 0.0000089500000000, -0.0000500600000000 ] - [ 0.0001616600000000, -0.0000041300000000, -0.0001913200000000 ] - [ -0.0001021700000000, 0.0000224600000000, -0.0001890100000000 ] - [ 0.0000157800000000, -0.0001203600000000, -0.0000295900000000 ] - [ -0.0002098400000000, -0.0000012100000000, 0.0001663900000000 ] - [ -0.0039098900000000, 0.0013053800000000, -0.0027431500000000 ] - [ 0.0001214900000000, 0.0057433200000000, 0.0001883500000000 ] - [ 0.0034470100000000, 0.0015843000000000, 0.0029367900000000 ] - [ -0.0035232100000000, 0.0018181200000000, -0.0029032600000000 ] - [ 0.0002071900000000, -0.0000564500000000, -0.0001595200000000 ] - [ 0.0001053700000000, -0.0000752000000000, -0.0000415800000000 ] - [ 0.0041660900000000, 0.0012670200000000, 0.0029304200000000 ] - [ -0.0001042300000000, -0.0000756500000000, 0.0000423200000000 ] - [ -0.0001480700000000, -0.0000216600000000, -0.0000991200000000 ] - [ -0.0001029800000000, 0.0000723300000000, 0.0000443300000000 ] - [ 0.0002102700000000, 0.0000008100000000, 0.0000212500000000 ] - [ 0.0000357500000000, 0.0001189900000000, -0.0000010500000000 ] - [ -0.0002078800000000, -0.0000034700000000, -0.0000225600000000 ] - [ 0.0001088600000000, 0.0000743600000000, -0.0000434500000000 ] - [ -0.0001586900000000, -0.0000036200000000, 0.0001925800000000 ] - [ -0.0001254200000000, 0.0000108100000000, -0.0000821400000000 ] - [ 0.0001619400000000, -0.0000000100000000, -0.0001911700000000 ] - [ -0.0001017300000000, 0.0000004400000000, -0.0001889300000000 ] - [ -0.0000045000000000, -0.0001204900000000, -0.0000579100000000 ] - [ -0.0002121300000000, -0.0001012800000000, 0.0001640700000000 ] - [ 0.0001396500000000, 0.0000162800000000, 0.0000966200000000 ] - [ 0.0001031600000000, -0.0000013800000000, 0.0001895500000000 ] - [ -0.0000171200000000, -0.0001228700000000, 0.0000349100000000 ] - [ -0.0000213900000000, 0.0001161100000000, 0.0000287700000000 ] - [ 0.0002115000000000, -0.0000036600000000, -0.0001645600000000 ] - [ 0.0001052700000000, -0.0000739300000000, -0.0000421500000000 ] - [ 0.0001187800000000, -0.0000091700000000, 0.0000815600000000 ] - [ -0.0000602700000000, 0.0205256600000000, 0.0001873700000000 ] - [ 0.0000648800000000, 0.0000154300000000, -0.0001454800000000 ] - [ -0.0000712000000000, -0.0000374000000000, 0.0000514200000000 ] - [ 0.0000450900000000, -0.0079801200000000, -0.0000242100000000 ] - [ -0.0000627500000000, -0.0000067900000000, 0.0001452900000000 ] - [ 0.0000631700000000, 0.0000093100000000, -0.0001466700000000 ] - [ -0.0000752100000000, -0.0000042100000000, 0.0000502200000000 ] - [ 0.0000777600000000, 0.0000036500000000, -0.0000512400000000 ] - [ -0.0001005900000000, -0.0007634800000000, 0.0001579400000000 ] - [ 0.0001109100000000, 0.0000011200000000, -0.0001582300000000 ] - [ -0.0001084800000000, -0.0000031500000000, 0.0001594100000000 ] - [ 0.0001102700000000, 0.0001736300000000, -0.0001569200000000 ] - [ -0.0001983300000000, -0.0040115200000000, -0.0001272500000000 ] - [ 0.0003699600000000, -0.0008086600000000, 0.0002223100000000 ] - [ 0.0005219600000000, 0.0010244000000000, -0.0002903900000000 ] - [ -0.0002116300000000, -0.0053164500000000, 0.0003434200000000 ] - [ -0.0003622700000000, -0.0000682400000000, 0.0003125600000000 ] - [ 0.0002344300000000, 0.0007982000000000, 0.0001013600000000 ] - [ 0.0000124200000000, 0.0002833500000000, 0.0000110900000000 ] - [ 0.0002176200000000, -0.0000089700000000, 0.0001298800000000 ] - [ -0.0001915400000000, 0.0049940500000000, 0.0000447800000000 ] - [ -0.0016728700000000, 0.0195172000000000, 0.0093995800000000 ] - [ -0.0004130000000000, -0.0005077200000000, 0.0000875500000000 ] - [ 0.0038837300000000, 0.0002494100000000, -0.0009989100000000 ] - [ 0.0022047200000000, 0.0190342400000000, -0.0088090000000000 ] - [ 0.0002085600000000, -0.0001948100000000, -0.0000427100000000 ] - [ -0.0003824300000000, 0.0004981600000000, 0.0000844900000000 ] - [ -0.0005253700000000, -0.0014069100000000, 0.0002856400000000 ] - [ -0.0002796000000000, 0.0077169300000000, 0.0002351100000000 ] - [ -0.0045036000000000, 0.0018923400000000, 0.0006849900000000 ] - [ 0.0002094000000000, -0.0000098700000000, -0.0003287400000000 ] - [ 0.0002978000000000, 0.0000104800000000, -0.0001901000000000 ] - [ -0.0002152200000000, 0.0000158400000000, -0.0001301200000000 ] - [ 0.0003030300000000, -0.0008046400000000, 0.0001581300000000 ] - [ 0.0005219700000000, -0.0000086300000000, -0.0002874700000000 ] - [ -0.0002068900000000, 0.0000193800000000, 0.0003281300000000 ] - [ -0.0000143500000000, -0.0002882700000000, -0.0000070800000000 ] - [ 0.0003013800000000, 0.0008067700000000, 0.0001637900000000 ] - [ 0.0003651600000000, 0.0004967200000000, -0.0003071500000000 ] - [ 0.0002190800000000, 0.0000264800000000, 0.0001320900000000 ] - [ -0.0002087400000000, -0.0000052300000000, 0.0000446800000000 ] - [ 0.0003949200000000, -0.0004985800000000, -0.0000838900000000 ] - [ -0.0003957600000000, -0.0005053200000000, 0.0000848300000000 ] - [ -0.0003041700000000, -0.0008069300000000, -0.0001639800000000 ] - [ 0.0003954700000000, 0.0005048800000000, -0.0000881700000000 ] - [ 0.0002105400000000, 0.0000071500000000, -0.0000397600000000 ] - [ -0.0003973800000000, 0.0004986500000000, 0.0000869200000000 ] - [ -0.0005202000000000, 0.0000039000000000, 0.0002876100000000 ] - [ -0.0002965600000000, -0.0000249900000000, 0.0001900900000000 ] - [ -0.0003002800000000, 0.0008017600000000, -0.0001595100000000 ] - [ 0.0002080000000000, 0.0000276100000000, -0.0003281600000000 ] - [ 0.0002975400000000, -0.0000258100000000, -0.0001914300000000 ]- atom: 8 displacement: [ -0.0016676867133328, 0.0000000000000000, 0.0098599604982055 ] forces: - [ -0.0013476700000000, 0.0029429000000000, 0.0097109100000000 ] - [ -0.0002345100000000, -0.0000165600000000, -0.0000364900000000 ] - [ -0.0013476700000000, -0.0029429000000000, 0.0097109100000000 ] - [ 0.0003337900000000, 0.0000000000000000, 0.0004101300000000 ] - [ 0.0000242200000000, 0.0001227500000000, -0.0000316500000000 ] - [ -0.0004738200000000, 0.0000000000000000, 0.0002086400000000 ] - [ 0.0001288100000000, 0.0000750900000000, -0.0000306100000000 ] - [ 0.0007370400000000, 0.0000000000000000, -0.0482763100000000 ] - [ -0.0002345100000000, 0.0000165600000000, -0.0000364900000000 ] - [ 0.0001524600000000, 0.0000000000000000, -0.0002145500000000 ] - [ -0.0000282100000000, 0.0000000000000000, -0.0002693200000000 ] - [ 0.0000242200000000, -0.0001227500000000, -0.0000316500000000 ] - [ -0.0002006100000000, 0.0000000000000000, 0.0001598800000000 ] - [ 0.0039627300000000, -0.0026792300000000, 0.0022884600000000 ] - [ 0.0014628600000000, 0.0000000000000000, -0.0016605400000000 ] - [ 0.0011266500000000, 0.0020064700000000, -0.0008730300000000 ] - [ 0.0011266500000000, -0.0020064700000000, -0.0008730300000000 ] - [ -0.0002081000000000, 0.0000000000000000, 0.0000926000000000 ] - [ 0.0001288100000000, -0.0000750900000000, -0.0000306100000000 ] - [ 0.0039627300000000, 0.0026792300000000, 0.0022884600000000 ] - [ -0.0000924600000000, -0.0000743700000000, 0.0000417600000000 ] - [ -0.0001090700000000, -0.0000115700000000, -0.0000850400000000 ] - [ -0.0000924600000000, 0.0000743700000000, 0.0000417600000000 ] - [ 0.0002205600000000, 0.0000000000000000, 0.0000181900000000 ] - [ 0.0000063500000000, 0.0000731100000000, -0.0000020500000000 ] - [ -0.0002020200000000, 0.0000000000000000, -0.0000213400000000 ] - [ 0.0001277400000000, 0.0000549000000000, -0.0000472300000000 ] - [ -0.0001472600000000, 0.0000000000000000, 0.0001954100000000 ] - [ -0.0001090700000000, 0.0000115700000000, -0.0000850400000000 ] - [ 0.0001840800000000, 0.0000000000000000, -0.0001791900000000 ] - [ -0.0000942100000000, 0.0000000000000000, -0.0001895800000000 ] - [ 0.0000063500000000, -0.0000731100000000, -0.0000020500000000 ] - [ -0.0005291800000000, 0.0000000000000000, -0.0001802000000000 ] - [ 0.0001339900000000, 0.0000106000000000, 0.0000848600000000 ] - [ 0.0001135700000000, 0.0000000000000000, 0.0001900400000000 ] - [ -0.0000104400000000, -0.0001252700000000, 0.0000289000000000 ] - [ -0.0000104400000000, 0.0001252700000000, 0.0000289000000000 ] - [ 0.0002149900000000, 0.0000000000000000, -0.0001599500000000 ] - [ 0.0001277400000000, -0.0000549000000000, -0.0000472300000000 ] - [ 0.0001339900000000, -0.0000106000000000, 0.0000848600000000 ] - [ -0.0056310100000000, 0.0000000000000000, 0.0046880600000000 ] - [ 0.0000637300000000, 0.0000000000000000, -0.0001292900000000 ] - [ 0.0004270600000000, 0.0000000000000000, -0.0003920000000000 ] - [ -0.0078479500000000, 0.0000000000000000, -0.0039577500000000 ] - [ -0.0000348100000000, 0.0000000000000000, 0.0001501800000000 ] - [ -0.0000625100000000, 0.0000000000000000, -0.0002681600000000 ] - [ -0.0000463000000000, 0.0000000000000000, 0.0000571800000000 ] - [ 0.0001036300000000, 0.0000000000000000, -0.0000458100000000 ] - [ -0.0018211800000000, 0.0000000000000000, 0.0055497300000000 ] - [ 0.0001298400000000, 0.0000000000000000, -0.0001522900000000 ] - [ -0.0000914800000000, 0.0000000000000000, 0.0001589900000000 ] - [ 0.0003135700000000, 0.0000000000000000, 0.0000150500000000 ] - [ 0.0030017400000000, 0.0000000000000000, 0.0007707800000000 ] - [ 0.0000897500000000, -0.0007970400000000, 0.0001238900000000 ] - [ 0.0008771600000000, 0.0000000000000000, 0.0006264300000000 ] - [ 0.0008539000000000, 0.0000000000000000, -0.0022571600000000 ] - [ -0.0002766000000000, -0.0001359700000000, -0.0006512100000000 ] - [ 0.0000897500000000, 0.0007970400000000, 0.0001238900000000 ] - [ -0.0000152700000000, 0.0002861200000000, 0.0000017600000000 ] - [ 0.0002226700000000, 0.0000000000000000, 0.0001286900000000 ] - [ -0.0038772800000000, 0.0000000000000000, 0.0044143000000000 ] - [ -0.0007299100000000, 0.0111157600000000, 0.0079553000000000 ] - [ -0.0003805900000000, -0.0005039100000000, 0.0000789300000000 ] - [ 0.0030287800000000, -0.0025556800000000, -0.0021158700000000 ] - [ -0.0007299100000000, -0.0111157600000000, 0.0079553000000000 ] - [ 0.0003829600000000, 0.0000000000000000, 0.0002940000000000 ] - [ -0.0003805900000000, 0.0005039100000000, 0.0000789300000000 ] - [ -0.0015783400000000, 0.0000000000000000, -0.0000753500000000 ] - [ 0.0017705600000000, 0.0000000000000000, 0.0081572300000000 ] - [ 0.0030287800000000, 0.0025556800000000, -0.0021158700000000 ] - [ 0.0001922700000000, 0.0000000000000000, -0.0003470800000000 ] - [ 0.0002673000000000, 0.0000000000000000, -0.0002066400000000 ] - [ -0.0002474200000000, 0.0000000000000000, -0.0001439800000000 ] - [ 0.0002766000000000, -0.0008035800000000, 0.0001517300000000 ] - [ 0.0004889300000000, 0.0000000000000000, -0.0002861400000000 ] - [ -0.0002265300000000, 0.0000000000000000, 0.0003284800000000 ] - [ -0.0000152700000000, -0.0002861200000000, 0.0000017600000000 ] - [ 0.0002766000000000, 0.0008035800000000, 0.0001517300000000 ] - [ -0.0002766000000000, 0.0001359700000000, -0.0006512100000000 ] - [ 0.0005242800000000, 0.0000000000000000, 0.0001552600000000 ] - [ -0.0002215900000000, 0.0000000000000000, 0.0000284300000000 ] - [ 0.0003748100000000, -0.0005014900000000, -0.0000923100000000 ] - [ -0.0003756500000000, -0.0004601200000000, 0.0001017300000000 ] - [ -0.0003157900000000, -0.0008004700000000, -0.0001594200000000 ] - [ 0.0003748100000000, 0.0005014900000000, -0.0000923100000000 ] - [ 0.0001928900000000, 0.0000000000000000, -0.0000422800000000 ] - [ -0.0003756500000000, 0.0004601200000000, 0.0001017300000000 ] - [ -0.0005291300000000, 0.0000000000000000, 0.0002778900000000 ] - [ -0.0003203500000000, 0.0000000000000000, 0.0001819600000000 ] - [ -0.0003157900000000, 0.0008004700000000, -0.0001594200000000 ] - [ 0.0002112800000000, 0.0000000000000000, -0.0003057200000000 ] - [ 0.0001912200000000, 0.0000000000000000, -0.0003835000000000 ]- atom: 8 displacement: [ 0.0016676867133328, 0.0000000000000000, -0.0098599604982055 ] forces: - [ 0.0011285400000000, -0.0032190100000000, -0.0096894200000000 ] - [ 0.0000025000000000, -0.0000044000000000, -0.0001300500000000 ] - [ 0.0011285400000000, 0.0032190100000000, -0.0096894200000000 ] - [ 0.0000890600000000, 0.0000000000000000, -0.0003768700000000 ] - [ 0.0000085100000000, 0.0001204900000000, -0.0000288800000000 ] - [ 0.0000581200000000, 0.0000000000000000, -0.0002514700000000 ] - [ 0.0000782000000000, 0.0000732300000000, -0.0000546000000000 ] - [ -0.0005958000000000, 0.0000000000000000, 0.0495302900000000 ] - [ 0.0000025000000000, 0.0000044000000000, -0.0001300500000000 ] - [ 0.0001673100000000, 0.0000000000000000, -0.0001742200000000 ] - [ -0.0001755100000000, 0.0000000000000000, -0.0001110600000000 ] - [ 0.0000085100000000, -0.0001204900000000, -0.0000288800000000 ] - [ -0.0002184000000000, 0.0000000000000000, 0.0001586100000000 ] - [ -0.0037107100000000, 0.0026818700000000, -0.0021561700000000 ] - [ -0.0012750400000000, 0.0000000000000000, 0.0020582800000000 ] - [ -0.0011627300000000, -0.0022493800000000, 0.0009546200000000 ] - [ -0.0011627300000000, 0.0022493800000000, 0.0009546200000000 ] - [ 0.0006264000000000, 0.0000000000000000, -0.0004144500000000 ] - [ 0.0000782000000000, -0.0000732300000000, -0.0000546000000000 ] - [ -0.0037107100000000, -0.0026818700000000, -0.0021561700000000 ] - [ -0.0001102900000000, -0.0000734500000000, 0.0000419800000000 ] - [ -0.0001273000000000, -0.0000099100000000, -0.0000834400000000 ] - [ -0.0001102900000000, 0.0000734500000000, 0.0000419800000000 ] - [ 0.0002046500000000, 0.0000000000000000, 0.0000188300000000 ] - [ 0.0000277700000000, 0.0001707000000000, -0.0000581900000000 ] - [ -0.0002214200000000, 0.0000000000000000, -0.0000204800000000 ] - [ 0.0000828400000000, 0.0000932000000000, -0.0000380000000000 ] - [ -0.0001683300000000, 0.0000000000000000, 0.0001934800000000 ] - [ -0.0001273000000000, 0.0000099100000000, -0.0000834400000000 ] - [ 0.0001373700000000, 0.0000000000000000, -0.0002086300000000 ] - [ -0.0001079700000000, 0.0000000000000000, -0.0001912700000000 ] - [ 0.0000277700000000, -0.0001707000000000, -0.0000581900000000 ] - [ 0.0001108700000000, 0.0000000000000000, 0.0004979700000000 ] - [ 0.0001123300000000, 0.0000110100000000, 0.0000838900000000 ] - [ 0.0000904100000000, 0.0000000000000000, 0.0001904700000000 ] - [ -0.0000226100000000, -0.0001190100000000, 0.0000304400000000 ] - [ -0.0000226100000000, 0.0001190100000000, 0.0000304400000000 ] - [ 0.0002038700000000, 0.0000000000000000, -0.0001583400000000 ] - [ 0.0000828400000000, -0.0000932000000000, -0.0000380000000000 ] - [ 0.0001123300000000, -0.0000110100000000, 0.0000838900000000 ] - [ 0.0055467600000000, 0.0000000000000000, -0.0044130300000000 ] - [ 0.0000525300000000, 0.0000000000000000, -0.0001675900000000 ] - [ -0.0005820200000000, 0.0000000000000000, 0.0004986100000000 ] - [ 0.0080473000000000, 0.0000000000000000, 0.0039562800000000 ] - [ -0.0000761300000000, 0.0000000000000000, 0.0001449900000000 ] - [ 0.0001799200000000, 0.0000000000000000, -0.0000284400000000 ] - [ -0.0001129900000000, 0.0000000000000000, 0.0000440300000000 ] - [ 0.0000505800000000, 0.0000000000000000, -0.0000551600000000 ] - [ 0.0015692800000000, 0.0000000000000000, -0.0052631000000000 ] - [ 0.0000904400000000, 0.0000000000000000, -0.0001689100000000 ] - [ -0.0001266100000000, 0.0000000000000000, 0.0001586600000000 ] - [ -0.0000989000000000, 0.0000000000000000, -0.0003292200000000 ] - [ -0.0034670300000000, 0.0000000000000000, -0.0010420300000000 ] - [ 0.0005113000000000, -0.0007999300000000, 0.0001851900000000 ] - [ 0.0001282400000000, 0.0000000000000000, -0.0012020200000000 ] - [ -0.0012893700000000, 0.0000000000000000, 0.0029466600000000 ] - [ 0.0002838200000000, -0.0004494600000000, 0.0006498100000000 ] - [ 0.0005113000000000, 0.0007999300000000, 0.0001851900000000 ] - [ 0.0000149900000000, 0.0002929900000000, -0.0000007600000000 ] - [ 0.0002363500000000, 0.0000000000000000, 0.0001401100000000 ] - [ 0.0035135400000000, 0.0000000000000000, -0.0043228500000000 ] - [ 0.0014825100000000, -0.0118466100000000, -0.0080872100000000 ] - [ -0.0004031800000000, -0.0005016600000000, 0.0000964600000000 ] - [ -0.0036782200000000, 0.0009848800000000, 0.0017817900000000 ] - [ 0.0014825100000000, 0.0118466100000000, -0.0080872100000000 ] - [ 0.0000256200000000, 0.0000000000000000, -0.0003676400000000 ] - [ -0.0004031800000000, 0.0005016600000000, 0.0000964600000000 ] - [ 0.0005626900000000, 0.0000000000000000, 0.0006451600000000 ] - [ -0.0027838400000000, 0.0000000000000000, -0.0085757400000000 ] - [ -0.0036782200000000, -0.0009848800000000, 0.0017817900000000 ] - [ 0.0002346200000000, 0.0000000000000000, -0.0003138700000000 ] - [ 0.0003390600000000, 0.0000000000000000, -0.0001820600000000 ] - [ -0.0002138800000000, 0.0000000000000000, -0.0001322200000000 ] - [ 0.0003224700000000, -0.0007990700000000, 0.0001607400000000 ] - [ 0.0005310200000000, 0.0000000000000000, -0.0002811800000000 ] - [ -0.0002051200000000, 0.0000000000000000, 0.0003334200000000 ] - [ 0.0000149900000000, -0.0002929900000000, -0.0000007600000000 ] - [ 0.0003224700000000, 0.0007990700000000, 0.0001607400000000 ] - [ 0.0002838200000000, 0.0004494600000000, 0.0006498100000000 ] - [ -0.0000666000000000, 0.0000000000000000, 0.0001157200000000 ] - [ -0.0001936800000000, 0.0000000000000000, 0.0000365100000000 ] - [ 0.0004039700000000, -0.0005035600000000, -0.0000868300000000 ] - [ -0.0004079700000000, -0.0005446000000000, 0.0000722600000000 ] - [ -0.0002855700000000, -0.0007953800000000, -0.0001496100000000 ] - [ 0.0004039700000000, 0.0005035600000000, -0.0000868300000000 ] - [ 0.0002222100000000, 0.0000000000000000, -0.0000306100000000 ] - [ -0.0004079700000000, 0.0005446000000000, 0.0000722600000000 ] - [ -0.0004837500000000, 0.0000000000000000, 0.0002859500000000 ] - [ -0.0002913300000000, 0.0000000000000000, 0.0002057800000000 ] - [ -0.0002855700000000, 0.0007953800000000, -0.0001496100000000 ] - [ 0.0002173400000000, 0.0000000000000000, -0.0003575200000000 ] - [ 0.0004157700000000, 0.0000000000000000, -0.0000078800000000 ]- atom: 11 displacement: [ 0.0099999817982353, 0.0000000000000000, 0.0000190797002540 ] forces: - [ 0.0008147900000000, -0.0000877200000000, 0.0002065100000000 ] - [ -0.0074156700000000, 0.0014512500000000, -0.0001464400000000 ] - [ 0.0008147900000000, 0.0000877200000000, 0.0002065100000000 ] - [ 0.0068091200000000, 0.0000000000000000, -0.0096425500000000 ] - [ 0.0013653200000000, -0.0009851200000000, 0.0004285600000000 ] - [ -0.0006097100000000, 0.0000000000000000, -0.0000670100000000 ] - [ -0.0042728500000000, -0.0031369200000000, 0.0004682200000000 ] - [ 0.0011694400000000, 0.0000000000000000, 0.0004928400000000 ] - [ -0.0074156700000000, -0.0014512500000000, -0.0001464400000000 ] - [ -0.0041089000000000, 0.0000000000000000, 0.0004711700000000 ] - [ -0.0294515500000000, 0.0000000000000000, -0.0029292800000000 ] - [ 0.0013653200000000, 0.0009851200000000, 0.0004285600000000 ] - [ 0.0008268100000000, 0.0000000000000000, 0.0002538800000000 ] - [ 0.0008466400000000, 0.0008681900000000, 0.0001505400000000 ] - [ 0.0006926100000000, 0.0000000000000000, -0.0000130000000000 ] - [ 0.0005758400000000, -0.0002427000000000, 0.0001916800000000 ] - [ 0.0005758400000000, 0.0002427000000000, 0.0001916800000000 ] - [ 0.0008991300000000, 0.0000000000000000, -0.0000414900000000 ] - [ -0.0042728500000000, 0.0031369200000000, 0.0004682200000000 ] - [ 0.0008466400000000, -0.0008681900000000, 0.0001505400000000 ] - [ 0.0008085200000000, -0.0001111300000000, 0.0002056400000000 ] - [ 0.0008365000000000, -0.0000430400000000, 0.0000739400000000 ] - [ 0.0008085200000000, 0.0001111300000000, 0.0002056400000000 ] - [ 0.0010639600000000, 0.0000000000000000, 0.0001587800000000 ] - [ 0.0006096600000000, -0.0000035300000000, 0.0001335700000000 ] - [ 0.0006396800000000, 0.0000000000000000, 0.0001187700000000 ] - [ 0.0010215400000000, 0.0000300200000000, 0.0001193500000000 ] - [ 0.0008818500000000, 0.0000000000000000, 0.0003779000000000 ] - [ 0.0008365000000000, 0.0000430400000000, 0.0000739400000000 ] - [ 0.0012082000000000, 0.0000000000000000, -0.0000050000000000 ] - [ 0.0009827000000000, 0.0000000000000000, -0.0000842500000000 ] - [ 0.0006096600000000, 0.0000035300000000, 0.0001335700000000 ] - [ 0.0004797000000000, 0.0000000000000000, 0.0002787600000000 ] - [ 0.0010685800000000, -0.0000211300000000, 0.0002361300000000 ] - [ 0.0011852900000000, 0.0000000000000000, 0.0002970100000000 ] - [ 0.0005843400000000, -0.0002306800000000, 0.0001838800000000 ] - [ 0.0005843400000000, 0.0002306800000000, 0.0001838800000000 ] - [ 0.0010842400000000, 0.0000000000000000, 0.0000810000000000 ] - [ 0.0010215400000000, -0.0000300200000000, 0.0001193500000000 ] - [ 0.0010685800000000, 0.0000211300000000, 0.0002361300000000 ] - [ 0.0018003900000000, 0.0000000000000000, 0.0004731300000000 ] - [ 0.0087921800000000, 0.0000000000000000, -0.0057678200000000 ] - [ -0.0021860300000000, 0.0000000000000000, -0.0001731500000000 ] - [ 0.0084869300000000, 0.0000000000000000, 0.0040922300000000 ] - [ 0.0019509200000000, 0.0000000000000000, 0.0005278900000000 ] - [ 0.0020028400000000, 0.0000000000000000, 0.0001841200000000 ] - [ 0.0024880500000000, 0.0000000000000000, 0.0004743600000000 ] - [ 0.0026420400000000, 0.0000000000000000, 0.0003757000000000 ] - [ 0.0015789700000000, 0.0000000000000000, 0.0003940400000000 ] - [ 0.0015570100000000, 0.0000000000000000, -0.0007950600000000 ] - [ 0.0015560400000000, 0.0000000000000000, 0.0003114600000000 ] - [ 0.0017980700000000, 0.0000000000000000, 0.0000636800000000 ] - [ -0.0016067300000000, 0.0000000000000000, -0.0005766300000000 ] - [ 0.0095243900000000, 0.0017064000000000, 0.0034357600000000 ] - [ 0.0085067500000000, 0.0000000000000000, 0.0010741300000000 ] - [ -0.0013265400000000, 0.0000000000000000, 0.0002563300000000 ] - [ -0.0012748200000000, -0.0002929800000000, 0.0003288300000000 ] - [ 0.0095243900000000, -0.0017064000000000, 0.0034357600000000 ] - [ -0.0012785900000000, 0.0000071900000000, 0.0003740000000000 ] - [ -0.0015032500000000, 0.0000000000000000, -0.0006409000000000 ] - [ -0.0040105200000000, 0.0000000000000000, -0.0002380100000000 ] - [ -0.0010812800000000, -0.0001574400000000, -0.0002340100000000 ] - [ 0.0025324700000000, 0.0055081000000000, 0.0048301200000000 ] - [ -0.0020244300000000, -0.0021165400000000, -0.0007977900000000 ] - [ -0.0010812800000000, 0.0001574400000000, -0.0002340100000000 ] - [ 0.0045121000000000, 0.0000000000000000, -0.0004708900000000 ] - [ 0.0025324700000000, -0.0055081000000000, 0.0048301200000000 ] - [ 0.0009738800000000, 0.0000000000000000, 0.0003331800000000 ] - [ -0.0019208200000000, 0.0000000000000000, -0.0007500600000000 ] - [ -0.0020244300000000, 0.0021165400000000, -0.0007977900000000 ] - [ -0.0011461600000000, 0.0000000000000000, -0.0035073000000000 ] - [ 0.0019927700000000, 0.0000000000000000, -0.0001405400000000 ] - [ -0.0017161700000000, 0.0000000000000000, -0.0006025100000000 ] - [ -0.0012261300000000, -0.0005855500000000, -0.0001957900000000 ] - [ -0.0015330100000000, 0.0000000000000000, -0.0004395900000000 ] - [ -0.0013342500000000, 0.0000000000000000, 0.0002403400000000 ] - [ -0.0012785900000000, -0.0000071900000000, 0.0003740000000000 ] - [ -0.0012261300000000, 0.0005855500000000, -0.0001957900000000 ] - [ -0.0012748200000000, 0.0002929800000000, 0.0003288300000000 ] - [ -0.0011338200000000, 0.0000000000000000, -0.0003098800000000 ] - [ -0.0015403600000000, 0.0000000000000000, -0.0001588100000000 ] - [ -0.0011423600000000, -0.0003447200000000, -0.0002644800000000 ] - [ -0.0019081000000000, -0.0006392900000000, -0.0000799300000000 ] - [ -0.0018161300000000, -0.0010077800000000, -0.0004993000000000 ] - [ -0.0011423600000000, 0.0003447200000000, -0.0002644800000000 ] - [ -0.0011315300000000, 0.0000000000000000, -0.0002161700000000 ] - [ -0.0019081000000000, 0.0006392900000000, -0.0000799300000000 ] - [ -0.0025336200000000, 0.0000000000000000, 0.0001200200000000 ] - [ -0.0018802200000000, 0.0000000000000000, -0.0006565500000000 ] - [ -0.0018161300000000, 0.0010077800000000, -0.0004993000000000 ] - [ -0.0008964200000000, 0.0000000000000000, -0.0004121500000000 ] - [ -0.0012885500000000, 0.0000000000000000, -0.0011100300000000 ]- atom: 11 displacement: [ -0.0099999817982353, 0.0000000000000000, -0.0000190797002540 ] forces: - [ -0.0010233900000000, -0.0000618200000000, -0.0001214100000000 ] - [ 0.0071993700000000, -0.0014316900000000, 0.0000352700000000 ] - [ -0.0010233900000000, 0.0000618200000000, -0.0001214100000000 ] - [ -0.0064491500000000, 0.0000000000000000, 0.0098606000000000 ] - [ -0.0013202000000000, 0.0012185700000000, -0.0004840900000000 ] - [ 0.0001979300000000, 0.0000000000000000, 0.0000293900000000 ] - [ 0.0044462500000000, 0.0032873600000000, -0.0005575600000000 ] - [ -0.0014952600000000, 0.0000000000000000, -0.0001061600000000 ] - [ 0.0071993700000000, 0.0014316900000000, 0.0000352700000000 ] - [ 0.0044056400000000, 0.0000000000000000, -0.0008608800000000 ] - [ 0.0294365100000000, 0.0000000000000000, 0.0028214700000000 ] - [ -0.0013202000000000, -0.0012185700000000, -0.0004840900000000 ] - [ -0.0012446600000000, 0.0000000000000000, 0.0000634900000000 ] - [ -0.0006158000000000, -0.0008557300000000, 0.0000169700000000 ] - [ -0.0004885800000000, 0.0000000000000000, 0.0003945100000000 ] - [ -0.0006106600000000, -0.0000009000000000, -0.0001306100000000 ] - [ -0.0006106600000000, 0.0000009000000000, -0.0001306100000000 ] - [ -0.0004801000000000, 0.0000000000000000, -0.0002768700000000 ] - [ 0.0044462500000000, -0.0032873600000000, -0.0005575600000000 ] - [ -0.0006158000000000, 0.0008557300000000, 0.0000169700000000 ] - [ -0.0010149500000000, -0.0000380200000000, -0.0001212900000000 ] - [ -0.0010678100000000, 0.0000213100000000, -0.0002361000000000 ] - [ -0.0010149500000000, 0.0000380200000000, -0.0001212900000000 ] - [ -0.0006410400000000, 0.0000000000000000, -0.0001188500000000 ] - [ -0.0005757000000000, 0.0002474100000000, -0.0001943000000000 ] - [ -0.0010656300000000, 0.0000000000000000, -0.0001575400000000 ] - [ -0.0008135100000000, 0.0001203500000000, -0.0002031300000000 ] - [ -0.0012003000000000, 0.0000000000000000, 0.0000134400000000 ] - [ -0.0010678100000000, -0.0000213100000000, -0.0002361000000000 ] - [ -0.0008888200000000, 0.0000000000000000, -0.0003851300000000 ] - [ -0.0011841300000000, 0.0000000000000000, -0.0002966100000000 ] - [ -0.0005757000000000, -0.0002474100000000, -0.0001943000000000 ] - [ -0.0008998700000000, 0.0000000000000000, 0.0000411700000000 ] - [ -0.0008352800000000, 0.0000435000000000, -0.0000728700000000 ] - [ -0.0009849300000000, 0.0000000000000000, 0.0000842900000000 ] - [ -0.0006186100000000, -0.0000130600000000, -0.0001221100000000 ] - [ -0.0006186100000000, 0.0000130600000000, -0.0001221100000000 ] - [ -0.0006635900000000, 0.0000000000000000, -0.0003990800000000 ] - [ -0.0008135100000000, -0.0001203500000000, -0.0002031300000000 ] - [ -0.0008352800000000, -0.0000435000000000, -0.0000728700000000 ] - [ -0.0019076000000000, 0.0000000000000000, -0.0001737400000000 ] - [ -0.0085559200000000, 0.0000000000000000, 0.0053211100000000 ] - [ 0.0020770500000000, 0.0000000000000000, 0.0003049400000000 ] - [ -0.0083547600000000, 0.0000000000000000, -0.0043042200000000 ] - [ -0.0020560600000000, 0.0000000000000000, -0.0002295700000000 ] - [ -0.0018952800000000, 0.0000000000000000, -0.0004826200000000 ] - [ -0.0026467700000000, 0.0000000000000000, -0.0003751800000000 ] - [ -0.0024855400000000, 0.0000000000000000, -0.0004745900000000 ] - [ -0.0017971100000000, 0.0000000000000000, -0.0000779600000000 ] - [ -0.0013438200000000, 0.0000000000000000, 0.0004769000000000 ] - [ -0.0017733400000000, 0.0000000000000000, 0.0000059700000000 ] - [ -0.0015799500000000, 0.0000000000000000, -0.0003784500000000 ] - [ 0.0011355700000000, 0.0000000000000000, 0.0003098600000000 ] - [ -0.0089932500000000, -0.0032560000000000, -0.0031073600000000 ] - [ -0.0078171500000000, 0.0000000000000000, -0.0019791800000000 ] - [ 0.0008927600000000, 0.0000000000000000, 0.0004014600000000 ] - [ 0.0012715900000000, -0.0002861900000000, -0.0003318900000000 ] - [ -0.0089932500000000, 0.0032560000000000, -0.0031073600000000 ] - [ 0.0012787100000000, 0.0005679900000000, -0.0003727700000000 ] - [ 0.0019683300000000, 0.0000000000000000, 0.0009163400000000 ] - [ 0.0036529200000000, 0.0000000000000000, 0.0003001700000000 ] - [ 0.0018582700000000, -0.0008477500000000, 0.0000551100000000 ] - [ -0.0031892500000000, -0.0065092600000000, -0.0046645600000000 ] - [ 0.0014174100000000, 0.0005287700000000, 0.0005042700000000 ] - [ 0.0018582700000000, 0.0008477500000000, 0.0000551100000000 ] - [ -0.0041213900000000, 0.0000000000000000, 0.0004128900000000 ] - [ -0.0031892500000000, 0.0065092600000000, -0.0046645600000000 ] - [ -0.0020023800000000, 0.0000000000000000, 0.0002161000000000 ] - [ 0.0013065400000000, 0.0000000000000000, 0.0011366600000000 ] - [ 0.0014174100000000, -0.0005287700000000, 0.0005042700000000 ] - [ 0.0015894500000000, 0.0000000000000000, 0.0028083100000000 ] - [ -0.0013690900000000, 0.0000000000000000, -0.0002472800000000 ] - [ 0.0012427200000000, 0.0000000000000000, 0.0003251600000000 ] - [ 0.0018164200000000, -0.0010045700000000, 0.0004976700000000 ] - [ 0.0025300000000000, 0.0000000000000000, -0.0001198200000000 ] - [ 0.0008983900000000, 0.0000000000000000, 0.0004255200000000 ] - [ 0.0012787100000000, -0.0005679900000000, -0.0003727700000000 ] - [ 0.0018164200000000, 0.0010045700000000, 0.0004976700000000 ] - [ 0.0012715900000000, 0.0002861900000000, -0.0003318900000000 ] - [ 0.0016022100000000, 0.0000000000000000, 0.0005850100000000 ] - [ 0.0011306300000000, 0.0000000000000000, 0.0002103100000000 ] - [ 0.0019208400000000, -0.0006590000000000, 0.0000833200000000 ] - [ 0.0011259100000000, -0.0003639700000000, 0.0002587000000000 ] - [ 0.0012236200000000, -0.0005802200000000, 0.0001989200000000 ] - [ 0.0019208400000000, 0.0006590000000000, 0.0000833200000000 ] - [ 0.0015383600000000, 0.0000000000000000, 0.0001638300000000 ] - [ 0.0011259100000000, 0.0003639700000000, 0.0002587000000000 ] - [ 0.0015377100000000, 0.0000000000000000, 0.0004387600000000 ] - [ 0.0012616000000000, 0.0000000000000000, 0.0010465000000000 ] - [ 0.0012236200000000, 0.0005802200000000, 0.0001989200000000 ] - [ 0.0013267300000000, 0.0000000000000000, -0.0002525500000000 ] - [ 0.0019011500000000, 0.0000000000000000, 0.0007217400000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000947400000000, -0.0000714400000000, 0.0000453400000000 ] - [ 0.0018493000000000, 0.0042341100000000, 0.0076457200000000 ] - [ -0.0000989800000000, 0.0000766600000000, 0.0000454200000000 ] - [ 0.0002358600000000, -0.0048982400000000, 0.0000034700000000 ] - [ -0.0010212400000000, 0.0000974400000000, -0.0006975400000000 ] - [ -0.0002148900000000, 0.0004033300000000, -0.0000308200000000 ] - [ -0.0024695800000000, 0.0025369800000000, -0.0033076700000000 ] - [ -0.0001573200000000, 0.0000194800000000, 0.0001916700000000 ] - [ -0.0020915900000000, 0.0042329900000000, -0.0079246000000000 ] - [ 0.0001832900000000, 0.0057480200000000, -0.0001990800000000 ] - [ -0.0001073900000000, -0.0145490100000000, -0.0002413300000000 ] - [ 0.0010526400000000, -0.0001480400000000, 0.0006343000000000 ] - [ -0.0002108800000000, 0.0000544200000000, 0.0001633600000000 ] - [ 0.0004412200000000, 0.0000125500000000, 0.0001285900000000 ] - [ 0.0001005800000000, -0.0000195200000000, 0.0001879600000000 ] - [ -0.0000158300000000, -0.0001221700000000, 0.0000274300000000 ] - [ -0.0000108900000000, 0.0001207000000000, 0.0000320700000000 ] - [ 0.0002107100000000, -0.0000020800000000, -0.0001596200000000 ] - [ 0.0026801200000000, 0.0023839700000000, 0.0032549900000000 ] - [ -0.0001799800000000, -0.0000201900000000, 0.0000475200000000 ] - [ -0.0000955000000000, -0.0000754400000000, 0.0000462400000000 ] - [ -0.0001423300000000, -0.0000188600000000, -0.0000969500000000 ] - [ -0.0000908500000000, 0.0000719100000000, 0.0000467600000000 ] - [ 0.0002108400000000, -0.0000003800000000, 0.0000196700000000 ] - [ 0.0000139400000000, 0.0001190700000000, -0.0000301400000000 ] - [ -0.0002097300000000, -0.0000029300000000, -0.0000223500000000 ] - [ 0.0000971300000000, 0.0000740900000000, -0.0000466100000000 ] - [ -0.0001565500000000, -0.0000022600000000, 0.0001920400000000 ] - [ -0.0001352200000000, 0.0000113900000000, -0.0000861300000000 ] - [ 0.0001582600000000, 0.0000019100000000, -0.0001917100000000 ] - [ -0.0001034500000000, -0.0000008900000000, -0.0001895900000000 ] - [ 0.0000135200000000, -0.0001204900000000, -0.0000309800000000 ] - [ -0.0002120400000000, 0.0000010400000000, 0.0001607100000000 ] - [ 0.0001468400000000, 0.0000173600000000, 0.0000993900000000 ] - [ 0.0001029100000000, -0.0000023000000000, 0.0001892500000000 ] - [ -0.0000266100000000, -0.0001219200000000, 0.0000225800000000 ] - [ -0.0000092500000000, 0.0001160600000000, 0.0000414200000000 ] - [ 0.0002131500000000, 0.0000610300000000, -0.0001669000000000 ] - [ 0.0000960300000000, -0.0000735400000000, -0.0000460000000000 ] - [ 0.0001205100000000, -0.0000089400000000, 0.0000827500000000 ] - [ -0.0000673700000000, -0.0000387300000000, 0.0001444900000000 ] - [ 0.0000403700000000, -0.0130550300000000, -0.0001312800000000 ] - [ -0.0001101400000000, 0.0188247000000000, 0.0001180100000000 ] - [ 0.0001011600000000, -0.0007026400000000, -0.0000485800000000 ] - [ -0.0000717600000000, -0.0000168600000000, 0.0001429400000000 ] - [ 0.0000681100000000, 0.0000007200000000, -0.0001452900000000 ] - [ -0.0000760400000000, -0.0000035100000000, 0.0000516200000000 ] - [ 0.0000748200000000, 0.0000064700000000, -0.0000535000000000 ] - [ -0.0001091200000000, 0.0000002700000000, 0.0001598000000000 ] - [ 0.0001098500000000, 0.0005294800000000, -0.0001560200000000 ] - [ -0.0001084400000000, -0.0001001800000000, 0.0001611200000000 ] - [ 0.0001094400000000, -0.0000010800000000, -0.0001616100000000 ] - [ -0.0002021900000000, 0.0000046700000000, -0.0001295900000000 ] - [ 0.0042227200000000, -0.0066205500000000, -0.0028231100000000 ] - [ 0.0005327200000000, 0.0065477800000000, -0.0002786900000000 ] - [ -0.0002114000000000, 0.0000145200000000, 0.0003265800000000 ] - [ 0.0000041000000000, -0.0003017700000000, 0.0000007600000000 ] - [ -0.0036825400000000, -0.0052360700000000, 0.0032359200000000 ] - [ 0.0001975000000000, 0.0002155600000000, -0.0001467300000000 ] - [ 0.0002002100000000, 0.0020260300000000, 0.0001315900000000 ] - [ -0.0002208000000000, 0.0007722500000000, 0.0000522300000000 ] - [ 0.0003534300000000, -0.0004891700000000, -0.0000837800000000 ] - [ 0.0069424900000000, 0.0016540300000000, -0.0031431900000000 ] - [ -0.0000411800000000, -0.0006368300000000, -0.0001371800000000 ] - [ 0.0004289000000000, 0.0005085400000000, -0.0000920200000000 ] - [ 0.0002321000000000, -0.0072693500000000, -0.0000470000000000 ] - [ -0.0077024600000000, 0.0027544000000000, 0.0032983400000000 ] - [ -0.0005262400000000, -0.0025758700000000, 0.0002862800000000 ] - [ -0.0003063100000000, -0.0000084000000000, 0.0001894300000000 ] - [ -0.0005681800000000, 0.0010107500000000, -0.0001915200000000 ] - [ 0.0002176500000000, 0.0043568700000000, -0.0003158400000000 ] - [ 0.0002967500000000, -0.0022225000000000, -0.0001991400000000 ] - [ -0.0001984400000000, 0.0000027600000000, -0.0001248700000000 ] - [ 0.0003056700000000, -0.0008104100000000, 0.0001596700000000 ] - [ 0.0005326200000000, -0.0000102600000000, -0.0002909100000000 ] - [ -0.0002063600000000, 0.0000122300000000, 0.0003215800000000 ] - [ -0.0002059200000000, -0.0003753000000000, 0.0001456000000000 ] - [ 0.0003006500000000, 0.0008123900000000, 0.0001663900000000 ] - [ -0.0000001200000000, 0.0002990900000000, -0.0000003200000000 ] - [ 0.0002013800000000, 0.0000020500000000, 0.0001274300000000 ] - [ -0.0002116600000000, -0.0000070800000000, 0.0000546600000000 ] - [ 0.0003926900000000, -0.0004929200000000, -0.0000852400000000 ] - [ -0.0003977000000000, -0.0005007100000000, 0.0000860500000000 ] - [ -0.0003061400000000, -0.0008144900000000, -0.0001682200000000 ] - [ 0.0003876600000000, 0.0005038000000000, -0.0000889200000000 ] - [ 0.0002129700000000, 0.0000077200000000, -0.0000505700000000 ] - [ -0.0003860800000000, 0.0004974400000000, 0.0000872400000000 ] - [ -0.0005308200000000, 0.0000057200000000, 0.0002902100000000 ] - [ -0.0003013500000000, -0.0000218300000000, 0.0001882400000000 ] - [ -0.0003004400000000, 0.0008068700000000, -0.0001603000000000 ] - [ 0.0002075700000000, 0.0000054600000000, -0.0003238300000000 ] - [ 0.0003036800000000, -0.0000069200000000, -0.0001894800000000 ]- atom: 11 displacement: [ -0.0016676867133328, 0.0000000000000000, 0.0098599604982055 ] forces: - [ -0.0000893100000000, -0.0000695800000000, 0.0001039200000000 ] - [ 0.0014794300000000, 0.0078913800000000, 0.0085827600000000 ] - [ -0.0000893100000000, 0.0000695800000000, 0.0001039200000000 ] - [ -0.0114804000000000, 0.0000000000000000, 0.0074827900000000 ] - [ 0.0004084000000000, -0.0002061300000000, -0.0008866900000000 ] - [ -0.0007542400000000, 0.0000000000000000, 0.0006108300000000 ] - [ 0.0032476600000000, -0.0032424400000000, 0.0042587700000000 ] - [ -0.0002956700000000, 0.0000000000000000, 0.0000802600000000 ] - [ 0.0014794300000000, -0.0078913800000000, 0.0085827600000000 ] - [ 0.0015341400000000, 0.0000000000000000, -0.0020481100000000 ] - [ 0.0022729700000000, 0.0000000000000000, -0.0338088200000000 ] - [ 0.0004084000000000, 0.0002061300000000, -0.0008866900000000 ] - [ 0.0000832100000000, 0.0000000000000000, 0.0004574900000000 ] - [ -0.0004416900000000, 0.0003748700000000, 0.0004165400000000 ] - [ -0.0001959900000000, 0.0000000000000000, -0.0003502900000000 ] - [ -0.0000476500000000, -0.0001093500000000, 0.0000000900000000 ] - [ -0.0000476500000000, 0.0001093500000000, 0.0000000900000000 ] - [ 0.0001646300000000, 0.0000000000000000, -0.0001625800000000 ] - [ 0.0032476600000000, 0.0032424400000000, 0.0042587700000000 ] - [ -0.0004416900000000, -0.0003748700000000, 0.0004165400000000 ] - [ -0.0001646500000000, -0.0000708100000000, 0.0000301400000000 ] - [ -0.0001798000000000, -0.0000069000000000, -0.0000930300000000 ] - [ -0.0001646500000000, 0.0000708100000000, 0.0000301400000000 ] - [ 0.0001511400000000, 0.0000000000000000, 0.0000089600000000 ] - [ -0.0000249800000000, 0.0001304800000000, -0.0000412400000000 ] - [ -0.0002724600000000, 0.0000000000000000, -0.0000313200000000 ] - [ 0.0000405400000000, 0.0000765300000000, -0.0000543600000000 ] - [ -0.0002300400000000, 0.0000000000000000, 0.0001839500000000 ] - [ -0.0001798000000000, 0.0000069000000000, -0.0000930300000000 ] - [ 0.0000865500000000, 0.0000000000000000, -0.0002068400000000 ] - [ -0.0001772700000000, 0.0000000000000000, -0.0001973800000000 ] - [ -0.0000249800000000, -0.0001304800000000, -0.0000412400000000 ] - [ -0.0002600700000000, 0.0000000000000000, 0.0001474200000000 ] - [ 0.0000490500000000, 0.0000116300000000, 0.0000703900000000 ] - [ 0.0000266800000000, 0.0000000000000000, 0.0001839400000000 ] - [ -0.0000541700000000, -0.0001183600000000, 0.0000332800000000 ] - [ -0.0000541700000000, 0.0001183600000000, 0.0000332800000000 ] - [ 0.0001929100000000, 0.0000000000000000, -0.0002904000000000 ] - [ 0.0000405400000000, -0.0000765300000000, -0.0000543600000000 ] - [ 0.0000490500000000, -0.0000116300000000, 0.0000703900000000 ] - [ -0.0003213900000000, 0.0000000000000000, 0.0002281500000000 ] - [ -0.0114017500000000, 0.0000000000000000, 0.0076810900000000 ] - [ -0.0040371700000000, 0.0000000000000000, -0.0083415800000000 ] - [ 0.0059593400000000, 0.0000000000000000, -0.0028916300000000 ] - [ -0.0002005100000000, 0.0000000000000000, 0.0001010600000000 ] - [ -0.0000815500000000, 0.0000000000000000, -0.0001736400000000 ] - [ -0.0002594000000000, 0.0000000000000000, 0.0000220400000000 ] - [ -0.0000991400000000, 0.0000000000000000, -0.0000779500000000 ] - [ -0.0002263100000000, 0.0000000000000000, 0.0001843600000000 ] - [ -0.0004734100000000, 0.0000000000000000, 0.0011688900000000 ] - [ -0.0001711200000000, 0.0000000000000000, 0.0000483200000000 ] - [ -0.0000072100000000, 0.0000000000000000, -0.0001745300000000 ] - [ -0.0000992400000000, 0.0000000000000000, -0.0001008100000000 ] - [ 0.0020263900000000, -0.0053002500000000, 0.0013697400000000 ] - [ -0.0009860500000000, 0.0000000000000000, 0.0047398800000000 ] - [ -0.0001918100000000, 0.0000000000000000, 0.0002445300000000 ] - [ 0.0000831800000000, -0.0002926400000000, -0.0000284900000000 ] - [ 0.0020263900000000, 0.0053002500000000, 0.0013697400000000 ] - [ -0.0001204000000000, -0.0000290800000000, -0.0001856600000000 ] - [ 0.0016313500000000, 0.0000000000000000, -0.0002206600000000 ] - [ 0.0004021400000000, 0.0000000000000000, 0.0019618000000000 ] - [ 0.0006871500000000, -0.0004715400000000, -0.0000937100000000 ] - [ 0.0048773300000000, -0.0043913900000000, -0.0009347600000000 ] - [ -0.0018219600000000, -0.0019742200000000, -0.0001976500000000 ] - [ 0.0006871500000000, 0.0004715400000000, -0.0000937100000000 ] - [ -0.0006968900000000, 0.0000000000000000, 0.0032183400000000 ] - [ 0.0048773300000000, 0.0043913900000000, -0.0009347600000000 ] - [ 0.0030273900000000, 0.0000000000000000, 0.0014214700000000 ] - [ -0.0002749800000000, 0.0000000000000000, 0.0002497600000000 ] - [ -0.0018219600000000, 0.0019742200000000, -0.0001976500000000 ] - [ -0.0029918900000000, 0.0000000000000000, -0.0060903900000000 ] - [ -0.0011716800000000, 0.0000000000000000, -0.0003759300000000 ] - [ -0.0000896600000000, 0.0000000000000000, -0.0001145600000000 ] - [ 0.0004034100000000, -0.0008117400000000, 0.0001768700000000 ] - [ 0.0006446000000000, 0.0000000000000000, -0.0002690200000000 ] - [ -0.0001459800000000, 0.0000000000000000, 0.0003445400000000 ] - [ -0.0001204000000000, 0.0000290800000000, -0.0001856600000000 ] - [ 0.0004034100000000, 0.0008117400000000, 0.0001768700000000 ] - [ 0.0000831800000000, 0.0002926400000000, -0.0000284900000000 ] - [ 0.0003305500000000, 0.0000000000000000, 0.0001684900000000 ] - [ -0.0001116200000000, 0.0000000000000000, 0.0000384700000000 ] - [ 0.0004995300000000, -0.0005164200000000, -0.0000748700000000 ] - [ -0.0002845300000000, -0.0004928100000000, 0.0001012500000000 ] - [ -0.0001932300000000, -0.0007809700000000, -0.0001266100000000 ] - [ 0.0004995300000000, 0.0005164200000000, -0.0000748700000000 ] - [ 0.0002979800000000, 0.0000000000000000, -0.0000163800000000 ] - [ -0.0002845300000000, 0.0004928100000000, 0.0001012500000000 ] - [ -0.0003567300000000, 0.0000000000000000, 0.0002914800000000 ] - [ -0.0002148900000000, 0.0000000000000000, 0.0002771900000000 ] - [ -0.0001932300000000, 0.0007809700000000, -0.0001266100000000 ] - [ 0.0002937400000000, 0.0000000000000000, -0.0003259000000000 ] - [ 0.0004178100000000, 0.0000000000000000, -0.0001301700000000 ]- atom: 11 displacement: [ 0.0016676867133328, 0.0000000000000000, -0.0098599604982055 ] forces: - [ -0.0001189200000000, -0.0000762500000000, -0.0000161200000000 ] - [ -0.0017541600000000, -0.0080337000000000, -0.0087771200000000 ] - [ -0.0001189200000000, 0.0000762500000000, -0.0000161200000000 ] - [ 0.0117411100000000, 0.0000000000000000, -0.0074333700000000 ] - [ -0.0003822400000000, 0.0004480300000000, 0.0008276200000000 ] - [ 0.0003343600000000, 0.0000000000000000, -0.0006524300000000 ] - [ -0.0030147500000000, 0.0033458600000000, -0.0043436000000000 ] - [ -0.0000239700000000, 0.0000000000000000, 0.0003045400000000 ] - [ -0.0017541600000000, 0.0080337000000000, -0.0087771200000000 ] - [ -0.0012287000000000, 0.0000000000000000, 0.0016674200000000 ] - [ -0.0020033000000000, 0.0000000000000000, 0.0336335800000000 ] - [ -0.0003822400000000, -0.0004480300000000, 0.0008276200000000 ] - [ -0.0005008300000000, 0.0000000000000000, -0.0001309000000000 ] - [ 0.0006731200000000, -0.0003542300000000, -0.0002511100000000 ] - [ 0.0004002600000000, 0.0000000000000000, 0.0007314100000000 ] - [ 0.0000178000000000, -0.0001331300000000, 0.0000581700000000 ] - [ 0.0000178000000000, 0.0001331300000000, 0.0000581700000000 ] - [ 0.0002554900000000, 0.0000000000000000, -0.0001580500000000 ] - [ -0.0030147500000000, -0.0033458600000000, -0.0043436000000000 ] - [ 0.0006731200000000, 0.0003542300000000, -0.0002511100000000 ] - [ -0.0000400500000000, -0.0000752400000000, 0.0000570400000000 ] - [ -0.0000469200000000, -0.0000116200000000, -0.0000709600000000 ] - [ -0.0000400500000000, 0.0000752400000000, 0.0000570400000000 ] - [ 0.0002675400000000, 0.0000000000000000, 0.0000364500000000 ] - [ 0.0000566400000000, 0.0001135700000000, -0.0000142600000000 ] - [ -0.0001517400000000, 0.0000000000000000, -0.0000120600000000 ] - [ 0.0001679600000000, 0.0000696300000000, -0.0000322500000000 ] - [ -0.0000847400000000, 0.0000000000000000, 0.0002043000000000 ] - [ -0.0000469200000000, 0.0000116200000000, -0.0000709600000000 ] - [ 0.0002317100000000, 0.0000000000000000, -0.0001772500000000 ] - [ -0.0000249200000000, 0.0000000000000000, -0.0001814300000000 ] - [ 0.0000566400000000, -0.0001135700000000, -0.0000142600000000 ] - [ -0.0001568800000000, 0.0000000000000000, 0.0001727200000000 ] - [ 0.0001826400000000, 0.0000065100000000, 0.0000937300000000 ] - [ 0.0001789500000000, 0.0000000000000000, 0.0001982000000000 ] - [ 0.0000245000000000, -0.0001248400000000, 0.0000255400000000 ] - [ 0.0000245000000000, 0.0001248400000000, 0.0000255400000000 ] - [ 0.0002275500000000, 0.0000000000000000, -0.0000303700000000 ] - [ 0.0001679600000000, -0.0000696300000000, -0.0000322500000000 ] - [ 0.0001826400000000, -0.0000065100000000, 0.0000937300000000 ] - [ 0.0002020000000000, 0.0000000000000000, 0.0000702800000000 ] - [ 0.0116002600000000, 0.0000000000000000, -0.0079400100000000 ] - [ 0.0038895900000000, 0.0000000000000000, 0.0084570000000000 ] - [ -0.0057772000000000, 0.0000000000000000, 0.0027831600000000 ] - [ 0.0000865100000000, 0.0000000000000000, 0.0001976800000000 ] - [ 0.0002053100000000, 0.0000000000000000, -0.0001244800000000 ] - [ 0.0001027500000000, 0.0000000000000000, 0.0000836100000000 ] - [ 0.0002503900000000, 0.0000000000000000, -0.0000225400000000 ] - [ 0.0000112800000000, 0.0000000000000000, 0.0001370700000000 ] - [ 0.0006923300000000, 0.0000000000000000, -0.0014902300000000 ] - [ -0.0000466100000000, 0.0000000000000000, 0.0002714100000000 ] - [ 0.0002267900000000, 0.0000000000000000, -0.0001429000000000 ] - [ -0.0003589900000000, 0.0000000000000000, -0.0001644300000000 ] - [ -0.0014831000000000, 0.0037904700000000, -0.0009134200000000 ] - [ 0.0017373700000000, 0.0000000000000000, -0.0056683600000000 ] - [ -0.0002275900000000, 0.0000000000000000, 0.0004145500000000 ] - [ -0.0000861500000000, -0.0002881600000000, 0.0000269000000000 ] - [ -0.0014831000000000, -0.0037904700000000, -0.0009134200000000 ] - [ 0.0001200900000000, 0.0006062300000000, 0.0001904800000000 ] - [ -0.0011762800000000, 0.0000000000000000, 0.0004832900000000 ] - [ -0.0008154700000000, 0.0000000000000000, -0.0018793700000000 ] - [ 0.0001020100000000, -0.0005351100000000, -0.0000780900000000 ] - [ -0.0056447200000000, 0.0033881000000000, 0.0010128300000000 ] - [ 0.0012202000000000, 0.0003663600000000, -0.0001141600000000 ] - [ 0.0001020100000000, 0.0005351100000000, -0.0000780900000000 ] - [ 0.0011152500000000, 0.0000000000000000, -0.0032953900000000 ] - [ -0.0056447200000000, -0.0033881000000000, 0.0010128300000000 ] - [ -0.0040540200000000, 0.0000000000000000, -0.0008518400000000 ] - [ -0.0003288100000000, 0.0000000000000000, 0.0001326400000000 ] - [ 0.0012202000000000, -0.0003663600000000, -0.0001141600000000 ] - [ 0.0033734200000000, 0.0000000000000000, 0.0054276300000000 ] - [ 0.0017782600000000, 0.0000000000000000, -0.0000060600000000 ] - [ -0.0003691400000000, 0.0000000000000000, -0.0001598900000000 ] - [ 0.0001936400000000, -0.0007938600000000, 0.0001402400000000 ] - [ 0.0003873200000000, 0.0000000000000000, -0.0003009700000000 ] - [ -0.0002775500000000, 0.0000000000000000, 0.0003193600000000 ] - [ 0.0001200900000000, -0.0006062300000000, 0.0001904800000000 ] - [ 0.0001936400000000, 0.0007938600000000, 0.0001402400000000 ] - [ -0.0000861500000000, 0.0002881600000000, 0.0000269000000000 ] - [ 0.0001248000000000, 0.0000000000000000, 0.0001051000000000 ] - [ -0.0003038200000000, 0.0000000000000000, 0.0000381000000000 ] - [ 0.0002887600000000, -0.0004901500000000, -0.0001006700000000 ] - [ -0.0005108400000000, -0.0005150000000000, 0.0000739200000000 ] - [ -0.0004067800000000, -0.0008189200000000, -0.0001835900000000 ] - [ 0.0002887600000000, 0.0004901500000000, -0.0001006700000000 ] - [ 0.0001178100000000, 0.0000000000000000, -0.0000672000000000 ] - [ -0.0005108400000000, 0.0005150000000000, 0.0000739200000000 ] - [ -0.0006661400000000, 0.0000000000000000, 0.0002789400000000 ] - [ -0.0003923000000000, 0.0000000000000000, 0.0001102800000000 ] - [ -0.0004067800000000, 0.0008189200000000, -0.0001835900000000 ] - [ 0.0001260900000000, 0.0000000000000000, -0.0003358000000000 ] - [ 0.0001870400000000, 0.0000000000000000, -0.0002556700000000 ]- atom: 13 displacement: [ 0.0099999817982353, 0.0000000000000000, 0.0000190797002540 ] forces: - [ 0.0004827500000000, -0.0001034000000000, 0.0001452600000000 ] - [ 0.0005150500000000, 0.0000210400000000, 0.0000043000000000 ] - [ 0.0004827500000000, 0.0001034000000000, 0.0001452600000000 ] - [ 0.0008275900000000, 0.0000000000000000, 0.0001237800000000 ] - [ -0.0016346700000000, 0.0034004200000000, 0.0003518600000000 ] - [ 0.0003304100000000, 0.0000000000000000, 0.0000597700000000 ] - [ 0.0004429700000000, 0.0017390000000000, 0.0002202900000000 ] - [ 0.0005082200000000, 0.0000000000000000, 0.0003168400000000 ] - [ 0.0005150500000000, -0.0000210400000000, 0.0000043000000000 ] - [ -0.0002252300000000, 0.0000000000000000, -0.0006825900000000 ] - [ 0.0009331800000000, 0.0000000000000000, 0.0002798600000000 ] - [ -0.0016346700000000, -0.0034004200000000, 0.0003518600000000 ] - [ -0.0500257500000000, 0.0000000000000000, 0.0120436900000000 ] - [ 0.0007205300000000, -0.0000116300000000, 0.0001798600000000 ] - [ 0.0007894800000000, 0.0000000000000000, 0.0002600800000000 ] - [ 0.0003596900000000, -0.0002017600000000, 0.0001355200000000 ] - [ 0.0003596900000000, 0.0002017600000000, 0.0001355200000000 ] - [ 0.0006502200000000, 0.0000000000000000, -0.0000838400000000 ] - [ 0.0004429700000000, -0.0017390000000000, 0.0002202900000000 ] - [ 0.0007205300000000, 0.0000116300000000, 0.0001798600000000 ] - [ 0.0002046100000000, 0.0006898200000000, 0.0002759600000000 ] - [ 0.0004887300000000, -0.0000307100000000, 0.0000188500000000 ] - [ 0.0002046100000000, -0.0006898200000000, 0.0002759600000000 ] - [ 0.0007530000000000, 0.0000000000000000, 0.0001108100000000 ] - [ 0.0003949300000000, 0.0000422600000000, 0.0000732000000000 ] - [ 0.0003518800000000, 0.0000000000000000, 0.0000818200000000 ] - [ 0.0006847900000000, 0.0000465900000000, 0.0000604900000000 ] - [ -0.0000966300000000, 0.0000000000000000, -0.0001199900000000 ] - [ 0.0004887300000000, 0.0000307100000000, 0.0000188500000000 ] - [ 0.0008258400000000, 0.0000000000000000, -0.0000751000000000 ] - [ 0.0005894100000000, 0.0000000000000000, -0.0001243500000000 ] - [ 0.0003949300000000, -0.0000422600000000, 0.0000732000000000 ] - [ 0.0002295200000000, 0.0000000000000000, 0.0002355200000000 ] - [ 0.0007757900000000, 0.0000108900000000, 0.0002109100000000 ] - [ 0.0009746600000000, 0.0000000000000000, 0.0003208100000000 ] - [ 0.0066851500000000, 0.0072506300000000, -0.0009644600000000 ] - [ 0.0066851500000000, -0.0072506300000000, -0.0009644600000000 ] - [ -0.0060080000000000, 0.0000000000000000, -0.0045594400000000 ] - [ 0.0006847900000000, -0.0000465900000000, 0.0000604900000000 ] - [ 0.0007757900000000, -0.0000108900000000, 0.0002109100000000 ] - [ 0.0011873800000000, 0.0000000000000000, 0.0003605700000000 ] - [ 0.0163414200000000, 0.0000000000000000, -0.0046517900000000 ] - [ 0.0013292700000000, 0.0000000000000000, 0.0003605400000000 ] - [ 0.0017344300000000, 0.0000000000000000, 0.0002164600000000 ] - [ 0.0057346900000000, 0.0000000000000000, 0.0020665700000000 ] - [ 0.0012958900000000, 0.0000000000000000, 0.0000643500000000 ] - [ 0.0015826400000000, 0.0000000000000000, 0.0003085000000000 ] - [ 0.0015741600000000, 0.0000000000000000, 0.0001534100000000 ] - [ 0.0009666100000000, 0.0000000000000000, 0.0003005900000000 ] - [ -0.0084386100000000, 0.0000000000000000, 0.0022061900000000 ] - [ -0.0039460100000000, 0.0000000000000000, 0.0004339700000000 ] - [ 0.0011841300000000, 0.0000000000000000, -0.0000173500000000 ] - [ -0.0011020100000000, 0.0000000000000000, -0.0004192100000000 ] - [ -0.0006296000000000, -0.0002571100000000, -0.0001353400000000 ] - [ -0.0008159700000000, 0.0000000000000000, -0.0003989400000000 ] - [ -0.0009249100000000, 0.0000000000000000, 0.0002798400000000 ] - [ -0.0008101200000000, -0.0002937600000000, 0.0002127700000000 ] - [ -0.0006296000000000, 0.0002571100000000, -0.0001353400000000 ] - [ 0.0113794600000000, 0.0006071600000000, -0.0017464800000000 ] - [ 0.0142689700000000, 0.0000000000000000, -0.0042630100000000 ] - [ -0.0010539800000000, 0.0000000000000000, -0.0000837400000000 ] - [ -0.0005777500000000, -0.0004143400000000, -0.0001969600000000 ] - [ -0.0019178900000000, -0.0026554500000000, 0.0005731600000000 ] - [ -0.0012666300000000, -0.0009337000000000, -0.0003733400000000 ] - [ -0.0005777500000000, 0.0004143400000000, -0.0001969600000000 ] - [ -0.0005956300000000, 0.0000000000000000, -0.0001445600000000 ] - [ -0.0019178900000000, 0.0026554500000000, 0.0005731600000000 ] - [ -0.0018241500000000, 0.0000000000000000, 0.0001611000000000 ] - [ -0.0013231000000000, 0.0000000000000000, -0.0003879500000000 ] - [ -0.0012666300000000, 0.0009337000000000, -0.0003733400000000 ] - [ -0.0061302300000000, 0.0000000000000000, -0.0036214900000000 ] - [ 0.0039146000000000, 0.0000000000000000, 0.0019985100000000 ] - [ 0.0080626900000000, 0.0000000000000000, 0.0000602200000000 ] - [ -0.0006790700000000, -0.0006582800000000, -0.0000690300000000 ] - [ -0.0007882000000000, 0.0000000000000000, -0.0003778000000000 ] - [ -0.0025457600000000, 0.0000000000000000, -0.0001423000000000 ] - [ 0.0113794600000000, -0.0006071600000000, -0.0017464800000000 ] - [ -0.0006790700000000, 0.0006582800000000, -0.0000690300000000 ] - [ -0.0008101200000000, 0.0002937600000000, 0.0002127700000000 ] - [ -0.0006380600000000, 0.0000000000000000, -0.0001505700000000 ] - [ -0.0010795600000000, 0.0000000000000000, -0.0000514400000000 ] - [ -0.0015672400000000, 0.0011224600000000, -0.0003279500000000 ] - [ -0.0013551800000000, -0.0005887300000000, -0.0000187000000000 ] - [ -0.0011748700000000, -0.0011014200000000, -0.0004026100000000 ] - [ -0.0015672400000000, -0.0011224600000000, -0.0003279500000000 ] - [ -0.0006432400000000, 0.0000000000000000, -0.0001387200000000 ] - [ -0.0013551800000000, 0.0005887300000000, -0.0000187000000000 ] - [ -0.0018381200000000, 0.0000000000000000, 0.0001657600000000 ] - [ 0.0012623200000000, 0.0000000000000000, 0.0022271100000000 ] - [ -0.0011748700000000, 0.0011014200000000, -0.0004026100000000 ] - [ -0.0004936700000000, 0.0000000000000000, -0.0003799500000000 ] - [ -0.0007087100000000, 0.0000000000000000, -0.0007777100000000 ]- atom: 13 displacement: [ -0.0099999817982353, 0.0000000000000000, -0.0000190797002540 ] forces: - [ -0.0006876400000000, -0.0000462600000000, -0.0000604800000000 ] - [ -0.0007523800000000, -0.0000439800000000, -0.0001676100000000 ] - [ -0.0006876400000000, 0.0000462600000000, -0.0000604800000000 ] - [ -0.0004104100000000, 0.0000000000000000, -0.0000783800000000 ] - [ 0.0016923900000000, -0.0031620200000000, -0.0004197500000000 ] - [ -0.0007513200000000, 0.0000000000000000, -0.0001012800000000 ] - [ -0.0002422700000000, -0.0016027300000000, -0.0003036900000000 ] - [ -0.0008270200000000, 0.0000000000000000, 0.0000757900000000 ] - [ -0.0007523800000000, 0.0000439800000000, -0.0001676100000000 ] - [ 0.0005500600000000, 0.0000000000000000, 0.0002917800000000 ] - [ -0.0011381200000000, 0.0000000000000000, -0.0006654400000000 ] - [ 0.0016923900000000, 0.0031620200000000, -0.0004197500000000 ] - [ 0.0496835900000000, 0.0000000000000000, -0.0128479800000000 ] - [ -0.0004908200000000, 0.0000328600000000, -0.0000165900000000 ] - [ -0.0005892900000000, 0.0000000000000000, 0.0001216100000000 ] - [ -0.0003966900000000, -0.0000415500000000, -0.0000733200000000 ] - [ -0.0003966900000000, 0.0000415500000000, -0.0000733200000000 ] - [ -0.0002311400000000, 0.0000000000000000, -0.0002351500000000 ] - [ -0.0002422700000000, 0.0016027300000000, -0.0003036900000000 ] - [ -0.0004908200000000, -0.0000328600000000, -0.0000165900000000 ] - [ -0.0004087900000000, -0.0008328400000000, -0.0001918200000000 ] - [ -0.0007209000000000, 0.0000094800000000, -0.0001809100000000 ] - [ -0.0004087900000000, 0.0008328400000000, -0.0001918200000000 ] - [ -0.0003345400000000, 0.0000000000000000, -0.0000702400000000 ] - [ -0.0003612200000000, 0.0002020800000000, -0.0001335500000000 ] - [ -0.0007733200000000, 0.0000000000000000, -0.0001244600000000 ] - [ -0.0004836600000000, 0.0001036800000000, -0.0001440500000000 ] - [ -0.0002268200000000, 0.0000000000000000, 0.0005142500000000 ] - [ -0.0007209000000000, -0.0000094800000000, -0.0001809100000000 ] - [ -0.0005088300000000, 0.0000000000000000, -0.0003165900000000 ] - [ -0.0007922400000000, 0.0000000000000000, -0.0002560100000000 ] - [ -0.0003612200000000, -0.0002020800000000, -0.0001335500000000 ] - [ -0.0006506400000000, 0.0000000000000000, 0.0000835300000000 ] - [ -0.0005435300000000, 0.0000113700000000, -0.0000473700000000 ] - [ -0.0007734200000000, 0.0000000000000000, 0.0000633800000000 ] - [ -0.0066205900000000, -0.0073693600000000, 0.0010330800000000 ] - [ -0.0066205900000000, 0.0073693600000000, 0.0010330800000000 ] - [ 0.0063918000000000, 0.0000000000000000, 0.0041970100000000 ] - [ -0.0004836600000000, -0.0001036800000000, -0.0001440500000000 ] - [ -0.0005435300000000, -0.0000113700000000, -0.0000473700000000 ] - [ -0.0012961100000000, 0.0000000000000000, -0.0000632400000000 ] - [ -0.0164844500000000, 0.0000000000000000, 0.0044958000000000 ] - [ -0.0014881100000000, 0.0000000000000000, -0.0002628800000000 ] - [ -0.0015775200000000, 0.0000000000000000, -0.0003163800000000 ] - [ -0.0058184800000000, 0.0000000000000000, -0.0017734800000000 ] - [ -0.0011915000000000, 0.0000000000000000, -0.0003613000000000 ] - [ -0.0017447200000000, 0.0000000000000000, -0.0002078200000000 ] - [ -0.0014200700000000, 0.0000000000000000, -0.0002516900000000 ] - [ -0.0011830600000000, 0.0000000000000000, 0.0000149100000000 ] - [ 0.0087393100000000, 0.0000000000000000, -0.0025116800000000 ] - [ 0.0036910600000000, 0.0000000000000000, -0.0001304800000000 ] - [ -0.0009725100000000, 0.0000000000000000, -0.0002953100000000 ] - [ 0.0006358400000000, 0.0000000000000000, 0.0001485900000000 ] - [ 0.0012244300000000, -0.0013348600000000, 0.0004386900000000 ] - [ 0.0018117900000000, 0.0000000000000000, -0.0001608600000000 ] - [ 0.0004935400000000, 0.0000000000000000, 0.0003853900000000 ] - [ 0.0008123400000000, -0.0002817500000000, -0.0002127300000000 ] - [ 0.0012244300000000, 0.0013348600000000, 0.0004386900000000 ] - [ -0.0113722700000000, -0.0000247500000000, 0.0017484800000000 ] - [ -0.0143874600000000, 0.0000000000000000, 0.0050412600000000 ] - [ 0.0006460400000000, 0.0000000000000000, 0.0001401600000000 ] - [ 0.0013608400000000, -0.0005893800000000, 0.0000205000000000 ] - [ 0.0011324700000000, 0.0016594500000000, -0.0004072000000000 ] - [ 0.0006753100000000, -0.0006552600000000, 0.0000702000000000 ] - [ 0.0013608400000000, 0.0005893800000000, 0.0000205000000000 ] - [ 0.0010041400000000, 0.0000000000000000, 0.0000947100000000 ] - [ 0.0011324700000000, -0.0016594500000000, -0.0004072000000000 ] - [ 0.0008301600000000, 0.0000000000000000, 0.0004010800000000 ] - [ 0.0007157000000000, 0.0000000000000000, 0.0007793800000000 ] - [ 0.0006753100000000, 0.0006552600000000, 0.0000702000000000 ] - [ 0.0066138900000000, 0.0000000000000000, 0.0030262400000000 ] - [ -0.0033326200000000, 0.0000000000000000, -0.0024018600000000 ] - [ -0.0080451700000000, 0.0000000000000000, 0.0000464500000000 ] - [ 0.0012721400000000, -0.0009307200000000, 0.0003733700000000 ] - [ 0.0017858800000000, 0.0000000000000000, -0.0001820900000000 ] - [ 0.0020841200000000, 0.0000000000000000, 0.0008370100000000 ] - [ -0.0113722700000000, 0.0000247500000000, 0.0017484800000000 ] - [ 0.0012721400000000, 0.0009307200000000, 0.0003733700000000 ] - [ 0.0008123400000000, 0.0002817500000000, -0.0002127300000000 ] - [ 0.0011072700000000, 0.0000000000000000, 0.0004247400000000 ] - [ 0.0006726000000000, 0.0000000000000000, 0.0001039400000000 ] - [ 0.0023553300000000, -0.0021205700000000, 0.0001553100000000 ] - [ 0.0005744400000000, -0.0004139200000000, 0.0001973300000000 ] - [ 0.0005841000000000, -0.0004875300000000, 0.0001016100000000 ] - [ 0.0023553300000000, 0.0021205700000000, 0.0001553100000000 ] - [ 0.0010533200000000, 0.0000000000000000, 0.0000864900000000 ] - [ 0.0005744400000000, 0.0004139200000000, 0.0001973300000000 ] - [ 0.0008473400000000, 0.0000000000000000, 0.0003959100000000 ] - [ -0.0018572900000000, 0.0000000000000000, -0.0018226900000000 ] - [ 0.0005841000000000, 0.0004875300000000, 0.0001016100000000 ] - [ 0.0009242700000000, 0.0000000000000000, -0.0002822100000000 ] - [ 0.0013184000000000, 0.0000000000000000, 0.0003911100000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000929000000000, -0.0000752400000000, 0.0000441300000000 ] - [ -0.0001724800000000, -0.0000235700000000, -0.0001013700000000 ] - [ -0.0000902300000000, 0.0000718600000000, 0.0000467100000000 ] - [ 0.0002055500000000, 0.0000139200000000, 0.0000257500000000 ] - [ 0.0016020300000000, 0.0002529900000000, 0.0014366100000000 ] - [ -0.0002095500000000, -0.0000045900000000, -0.0000229300000000 ] - [ 0.0002174300000000, 0.0000634900000000, -0.0000539800000000 ] - [ -0.0001543500000000, -0.0000041900000000, 0.0001923000000000 ] - [ -0.0000891400000000, 0.0000029800000000, -0.0000772000000000 ] - [ 0.0001512400000000, -0.0000545000000000, -0.0001957500000000 ] - [ -0.0001036900000000, 0.0000542400000000, -0.0001892900000000 ] - [ -0.0015757500000000, -0.0000175600000000, -0.0015015900000000 ] - [ -0.0003954600000000, -0.0444821300000000, 0.0007389800000000 ] - [ 0.0001173500000000, 0.0000109100000000, 0.0000858400000000 ] - [ 0.0001031000000000, -0.0000015700000000, 0.0001894600000000 ] - [ -0.0000144800000000, -0.0001224500000000, 0.0000282300000000 ] - [ -0.0000134300000000, 0.0001198800000000, 0.0000290600000000 ] - [ 0.0002102200000000, -0.0000022200000000, -0.0001632600000000 ] - [ -0.0000296000000000, -0.0000932700000000, -0.0000354800000000 ] - [ 0.0001223600000000, -0.0000106300000000, 0.0000809500000000 ] - [ -0.0000448300000000, -0.0000799200000000, -0.0000360100000000 ] - [ -0.0001402100000000, -0.0000190300000000, -0.0000956900000000 ] - [ -0.0001328800000000, 0.0000706400000000, 0.0001255100000000 ] - [ 0.0002075200000000, -0.0000001200000000, 0.0000231200000000 ] - [ 0.0000137200000000, 0.0001223400000000, -0.0000290500000000 ] - [ -0.0002094500000000, 0.0000078700000000, -0.0000226300000000 ] - [ 0.0000898200000000, 0.0000732700000000, -0.0000468300000000 ] - [ -0.0001507200000000, -0.0001069000000000, 0.0001957500000000 ] - [ -0.0001228300000000, 0.0000091900000000, -0.0000818900000000 ] - [ 0.0001538500000000, 0.0000016500000000, -0.0001943100000000 ] - [ -0.0001046000000000, -0.0000002000000000, -0.0001902200000000 ] - [ 0.0000145500000000, -0.0001240000000000, -0.0000288000000000 ] - [ -0.0002100700000000, 0.0000016200000000, 0.0001611600000000 ] - [ 0.0001074300000000, 0.0000158500000000, 0.0000825700000000 ] - [ 0.0001033900000000, 0.0000628900000000, 0.0001895700000000 ] - [ 0.0063555700000000, 0.0012276700000000, 0.0000831400000000 ] - [ -0.0063430700000000, 0.0014939200000000, -0.0000184300000000 ] - [ 0.0002045600000000, -0.0043421400000000, -0.0001646600000000 ] - [ 0.0000883800000000, -0.0000727200000000, -0.0000459000000000 ] - [ 0.0001610000000000, -0.0000156500000000, 0.0000994300000000 ] - [ -0.0000595700000000, -0.0000022600000000, 0.0001480500000000 ] - [ 0.0001038800000000, -0.0013217700000000, -0.0001474100000000 ] - [ -0.0000788000000000, -0.0000636400000000, 0.0000509500000000 ] - [ 0.0000770700000000, 0.0000019100000000, -0.0000512200000000 ] - [ -0.0000663900000000, 0.0013229500000000, 0.0001386400000000 ] - [ 0.0000567700000000, 0.0000005100000000, -0.0001494700000000 ] - [ -0.0000790500000000, -0.0000062100000000, 0.0000502600000000 ] - [ 0.0000763000000000, -0.0000556200000000, -0.0000511600000000 ] - [ -0.0001082700000000, -0.0000007900000000, 0.0001576400000000 ] - [ 0.0000566000000000, 0.0193201400000000, -0.0001915600000000 ] - [ -0.0001033300000000, 0.0055441600000000, 0.0001512800000000 ] - [ 0.0001065700000000, -0.0000013900000000, -0.0001579500000000 ] - [ -0.0002255900000000, -0.0000018600000000, -0.0001283800000000 ] - [ 0.0002630500000000, -0.0007759700000000, 0.0001414100000000 ] - [ 0.0005180000000000, -0.0000191600000000, -0.0002855500000000 ] - [ -0.0002061900000000, 0.0000000400000000, 0.0003228200000000 ] - [ 0.0000001200000000, -0.0002867700000000, -0.0000017700000000 ] - [ 0.0003388800000000, 0.0008286600000000, 0.0001751100000000 ] - [ 0.0025255000000000, 0.0056775300000000, -0.0041771700000000 ] - [ 0.0002378900000000, 0.0048992000000000, 0.0001154300000000 ] - [ -0.0002072800000000, -0.0000031100000000, 0.0000415800000000 ] - [ 0.0003955100000000, -0.0005040300000000, -0.0000869200000000 ] - [ -0.0000219900000000, -0.0004914800000000, 0.0001551300000000 ] - [ -0.0002988800000000, -0.0008078200000000, -0.0001593100000000 ] - [ 0.0003968400000000, 0.0005033700000000, -0.0000850800000000 ] - [ 0.0002086700000000, 0.0000294700000000, -0.0000427200000000 ] - [ -0.0007817400000000, 0.0005375200000000, 0.0000144200000000 ] - [ -0.0005164200000000, 0.0000098300000000, 0.0002863700000000 ] - [ -0.0003000400000000, -0.0000008900000000, 0.0001870500000000 ] - [ -0.0002970200000000, 0.0008029500000000, -0.0001581800000000 ] - [ 0.0001899200000000, 0.0020857500000000, -0.0003340200000000 ] - [ 0.0003111300000000, -0.0004471500000000, -0.0001761000000000 ] - [ -0.0002403000000000, 0.0048967900000000, -0.0001453500000000 ] - [ 0.0003023700000000, -0.0008043200000000, 0.0001583800000000 ] - [ 0.0005200200000000, 0.0000048600000000, -0.0002866300000000 ] - [ -0.0002059800000000, 0.0004018100000000, 0.0003266500000000 ] - [ -0.0023349700000000, 0.0045570900000000, 0.0037072500000000 ] - [ 0.0002984800000000, 0.0008037300000000, 0.0001584000000000 ] - [ -0.0000010000000000, 0.0002851700000000, -0.0000024800000000 ] - [ 0.0002265400000000, -0.0000005200000000, 0.0001330300000000 ] - [ -0.0002087000000000, 0.0000355200000000, 0.0000414800000000 ] - [ -0.0001933300000000, -0.0005223400000000, -0.0000859400000000 ] - [ -0.0003996300000000, -0.0005058100000000, 0.0000856200000000 ] - [ -0.0002665200000000, -0.0007892400000000, -0.0001489600000000 ] - [ 0.0009949500000000, 0.0004923100000000, -0.0000821500000000 ] - [ 0.0002099000000000, 0.0000000100000000, -0.0000418700000000 ] - [ -0.0003938100000000, 0.0005021200000000, 0.0000862200000000 ] - [ -0.0005176100000000, -0.0000191300000000, 0.0002851600000000 ] - [ -0.0003074400000000, -0.0009524100000000, 0.0001821300000000 ] - [ -0.0003355300000000, 0.0008174300000000, -0.0001696100000000 ] - [ 0.0002087300000000, 0.0000003500000000, -0.0003271400000000 ] - [ 0.0003023300000000, -0.0000020200000000, -0.0001893900000000 ]- atom: 13 displacement: [ -0.0016676867133328, 0.0000000000000000, 0.0098599604982055 ] forces: - [ -0.0001081600000000, -0.0000719800000000, 0.0000429500000000 ] - [ -0.0001953300000000, 0.0000077500000000, -0.0001680300000000 ] - [ -0.0001081600000000, 0.0000719800000000, 0.0000429500000000 ] - [ 0.0002535400000000, 0.0000000000000000, 0.0000069800000000 ] - [ 0.0011323400000000, 0.0003663600000000, 0.0037550000000000 ] - [ -0.0002138100000000, 0.0000000000000000, -0.0000344000000000 ] - [ 0.0004947800000000, 0.0001300600000000, -0.0001597000000000 ] - [ -0.0001599300000000, 0.0000000000000000, 0.0001904400000000 ] - [ -0.0001953300000000, -0.0000077500000000, -0.0001680300000000 ] - [ 0.0003860400000000, 0.0000000000000000, 0.0001740800000000 ] - [ -0.0001822800000000, 0.0000000000000000, 0.0000420900000000 ] - [ 0.0011323400000000, -0.0003663600000000, 0.0037550000000000 ] - [ 0.0206100000000000, 0.0000000000000000, -0.0451956700000000 ] - [ 0.0001229300000000, 0.0000072100000000, 0.0000808800000000 ] - [ 0.0001015200000000, 0.0000000000000000, 0.0001951400000000 ] - [ -0.0000147800000000, -0.0001189800000000, 0.0000310300000000 ] - [ -0.0000147800000000, 0.0001189800000000, 0.0000310300000000 ] - [ 0.0002112300000000, 0.0000000000000000, -0.0001623800000000 ] - [ 0.0004947800000000, -0.0001300600000000, -0.0001597000000000 ] - [ 0.0001229300000000, -0.0000072100000000, 0.0000808800000000 ] - [ -0.0004354700000000, 0.0001248900000000, 0.0001481000000000 ] - [ -0.0001210800000000, -0.0000088000000000, -0.0000832100000000 ] - [ -0.0004354700000000, -0.0001248900000000, 0.0001481000000000 ] - [ 0.0002173300000000, 0.0000000000000000, 0.0000299500000000 ] - [ 0.0000147900000000, 0.0001212800000000, -0.0000291500000000 ] - [ -0.0002263900000000, 0.0000000000000000, -0.0000077200000000 ] - [ 0.0001069600000000, 0.0000721500000000, -0.0000435400000000 ] - [ -0.0005009000000000, 0.0000000000000000, -0.0001485200000000 ] - [ -0.0001210800000000, 0.0000088000000000, -0.0000832100000000 ] - [ 0.0001589700000000, 0.0000000000000000, -0.0001915800000000 ] - [ -0.0001000100000000, 0.0000000000000000, -0.0001934600000000 ] - [ 0.0000147900000000, -0.0001212800000000, -0.0000291500000000 ] - [ -0.0002102500000000, 0.0000000000000000, 0.0001617400000000 ] - [ 0.0001782500000000, 0.0000035700000000, 0.0001366900000000 ] - [ 0.0001915000000000, 0.0000000000000000, 0.0000785800000000 ] - [ -0.0018279400000000, -0.0004915500000000, -0.0029012700000000 ] - [ -0.0018279400000000, 0.0004915500000000, -0.0029012700000000 ] - [ -0.0030584900000000, 0.0000000000000000, 0.0186325400000000 ] - [ 0.0001069600000000, -0.0000721500000000, -0.0000435400000000 ] - [ 0.0001782500000000, -0.0000035700000000, 0.0001366900000000 ] - [ -0.0000636900000000, 0.0000000000000000, 0.0001477000000000 ] - [ -0.0072723000000000, 0.0000000000000000, -0.0083997900000000 ] - [ 0.0000138200000000, 0.0000000000000000, 0.0002401000000000 ] - [ 0.0000422700000000, 0.0000000000000000, -0.0000270700000000 ] - [ 0.0032724600000000, 0.0000000000000000, 0.0052147700000000 ] - [ 0.0000664700000000, 0.0000000000000000, -0.0001486900000000 ] - [ -0.0000453900000000, 0.0000000000000000, 0.0000349700000000 ] - [ -0.0000185000000000, 0.0000000000000000, -0.0001840100000000 ] - [ -0.0001075600000000, 0.0000000000000000, 0.0001598000000000 ] - [ 0.0041723200000000, 0.0000000000000000, -0.0064883700000000 ] - [ -0.0036484800000000, 0.0000000000000000, 0.0044136700000000 ] - [ 0.0001110000000000, 0.0000000000000000, -0.0001591800000000 ] - [ -0.0002246400000000, 0.0000000000000000, -0.0001275700000000 ] - [ 0.0001392500000000, -0.0007807500000000, 0.0001415800000000 ] - [ 0.0005894400000000, 0.0000000000000000, -0.0002715100000000 ] - [ -0.0002094800000000, 0.0000000000000000, 0.0003258100000000 ] - [ -0.0000033600000000, -0.0002943500000000, -0.0000014600000000 ] - [ 0.0001392500000000, 0.0007807500000000, 0.0001415800000000 ] - [ -0.0022936100000000, -0.0020936900000000, 0.0067598400000000 ] - [ -0.0059318400000000, 0.0000000000000000, 0.0107555600000000 ] - [ -0.0002175900000000, 0.0000000000000000, 0.0000361600000000 ] - [ 0.0003935600000000, -0.0005059500000000, -0.0000861200000000 ] - [ 0.0011101300000000, 0.0006462800000000, 0.0013520800000000 ] - [ -0.0002906800000000, -0.0008053200000000, -0.0001618200000000 ] - [ 0.0003935600000000, 0.0005059500000000, -0.0000861200000000 ] - [ 0.0003117500000000, 0.0000000000000000, -0.0001350300000000 ] - [ 0.0011101300000000, -0.0006462800000000, 0.0013520800000000 ] - [ -0.0005703700000000, 0.0000000000000000, 0.0002601600000000 ] - [ -0.0003019300000000, 0.0000000000000000, 0.0001863400000000 ] - [ -0.0002906800000000, 0.0008053200000000, -0.0001618200000000 ] - [ -0.0031031800000000, 0.0000000000000000, 0.0017698200000000 ] - [ -0.0010224700000000, 0.0000000000000000, -0.0005046800000000 ] - [ -0.0008533200000000, 0.0000000000000000, 0.0042605000000000 ] - [ 0.0002875700000000, -0.0008062500000000, 0.0001602400000000 ] - [ 0.0005482100000000, 0.0000000000000000, -0.0002707700000000 ] - [ 0.0009376200000000, 0.0000000000000000, -0.0011652400000000 ] - [ -0.0022936100000000, 0.0020936900000000, 0.0067598400000000 ] - [ 0.0002875700000000, 0.0008062500000000, 0.0001602400000000 ] - [ -0.0000033600000000, 0.0002943500000000, -0.0000014600000000 ] - [ 0.0002202700000000, 0.0000000000000000, 0.0001312000000000 ] - [ -0.0002813600000000, 0.0000000000000000, 0.0001098500000000 ] - [ -0.0007985200000000, 0.0007000000000000, -0.0009399800000000 ] - [ -0.0004008100000000, -0.0005061600000000, 0.0000860400000000 ] - [ -0.0001835300000000, -0.0008481000000000, -0.0001635600000000 ] - [ -0.0007985200000000, -0.0007000000000000, -0.0009399800000000 ] - [ 0.0002116200000000, 0.0000000000000000, -0.0000411800000000 ] - [ -0.0004008100000000, 0.0005061600000000, 0.0000860400000000 ] - [ -0.0005764700000000, 0.0000000000000000, 0.0002750700000000 ] - [ 0.0013534800000000, 0.0000000000000000, 0.0006307500000000 ] - [ -0.0001835300000000, 0.0008481000000000, -0.0001635600000000 ] - [ 0.0002064800000000, 0.0000000000000000, -0.0003285800000000 ] - [ 0.0002986600000000, 0.0000000000000000, -0.0001916300000000 ]- atom: 13 displacement: [ 0.0016676867133328, 0.0000000000000000, -0.0098599604982055 ] forces: - [ -0.0001059400000000, -0.0000742100000000, 0.0000431700000000 ] - [ -0.0000436400000000, -0.0000291300000000, 0.0000029300000000 ] - [ -0.0001059400000000, 0.0000742100000000, 0.0000431700000000 ] - [ 0.0001725500000000, 0.0000000000000000, 0.0000384300000000 ] - [ -0.0011339000000000, -0.0001509700000000, -0.0038277300000000 ] - [ -0.0002074900000000, 0.0000000000000000, -0.0000028900000000 ] - [ -0.0002874300000000, 0.0000182100000000, 0.0000746400000000 ] - [ -0.0001652900000000, 0.0000000000000000, 0.0001943900000000 ] - [ -0.0000436400000000, 0.0000291300000000, 0.0000029300000000 ] - [ -0.0000703700000000, 0.0000000000000000, -0.0005595800000000 ] - [ -0.0000207600000000, 0.0000000000000000, -0.0004208100000000 ] - [ -0.0011339000000000, 0.0001509700000000, -0.0038277300000000 ] - [ -0.0207406700000000, 0.0000000000000000, 0.0453292300000000 ] - [ 0.0001085600000000, 0.0000134800000000, 0.0000866600000000 ] - [ 0.0000982400000000, 0.0000000000000000, 0.0001856300000000 ] - [ -0.0000192200000000, -0.0001199200000000, 0.0000327400000000 ] - [ -0.0000192200000000, 0.0001199200000000, 0.0000327400000000 ] - [ 0.0002082300000000, 0.0000000000000000, -0.0001567200000000 ] - [ -0.0002874300000000, -0.0000182100000000, 0.0000746400000000 ] - [ 0.0001085600000000, -0.0000134800000000, 0.0000866600000000 ] - [ 0.0002278500000000, -0.0002701400000000, -0.0000631400000000 ] - [ -0.0001146900000000, -0.0000123400000000, -0.0000842600000000 ] - [ 0.0002278500000000, 0.0002701400000000, -0.0000631400000000 ] - [ 0.0002055000000000, 0.0000000000000000, 0.0000095300000000 ] - [ 0.0000166900000000, 0.0001215200000000, -0.0000304200000000 ] - [ -0.0002004900000000, 0.0000000000000000, -0.0000346600000000 ] - [ 0.0001008400000000, 0.0000746800000000, -0.0000413500000000 ] - [ 0.0001811800000000, 0.0000000000000000, 0.0005383900000000 ] - [ -0.0001146900000000, 0.0000123400000000, -0.0000842600000000 ] - [ 0.0001582400000000, 0.0000000000000000, -0.0001937500000000 ] - [ -0.0001032600000000, 0.0000000000000000, -0.0001853900000000 ] - [ 0.0000166900000000, -0.0001215200000000, -0.0000304200000000 ] - [ -0.0002119100000000, 0.0000000000000000, 0.0001612000000000 ] - [ 0.0000579100000000, 0.0000176800000000, 0.0000298200000000 ] - [ 0.0000084900000000, 0.0000000000000000, 0.0003041900000000 ] - [ 0.0017527800000000, 0.0002289900000000, 0.0029824600000000 ] - [ 0.0017527800000000, -0.0002289900000000, 0.0029824600000000 ] - [ 0.0035782000000000, 0.0000000000000000, -0.0189639500000000 ] - [ 0.0001008400000000, -0.0000746800000000, -0.0000413500000000 ] - [ 0.0000579100000000, -0.0000176800000000, 0.0000298200000000 ] - [ -0.0000620300000000, 0.0000000000000000, 0.0001481400000000 ] - [ 0.0074324900000000, 0.0000000000000000, 0.0080859500000000 ] - [ -0.0001645300000000, 0.0000000000000000, -0.0001374000000000 ] - [ 0.0001125500000000, 0.0000000000000000, -0.0000758400000000 ] - [ -0.0033795100000000, 0.0000000000000000, -0.0049098500000000 ] - [ 0.0000527700000000, 0.0000000000000000, -0.0001473900000000 ] - [ -0.0001152900000000, 0.0000000000000000, 0.0000700600000000 ] - [ 0.0001626300000000, 0.0000000000000000, 0.0000828600000000 ] - [ -0.0001141500000000, 0.0000000000000000, 0.0001593000000000 ] - [ -0.0039327100000000, 0.0000000000000000, 0.0061767800000000 ] - [ 0.0034286400000000, 0.0000000000000000, -0.0041096900000000 ] - [ 0.0001062500000000, 0.0000000000000000, -0.0001575900000000 ] - [ -0.0002282400000000, 0.0000000000000000, -0.0001340000000000 ] - [ 0.0004549800000000, -0.0008178000000000, 0.0001660600000000 ] - [ 0.0004289800000000, 0.0000000000000000, -0.0002953300000000 ] - [ -0.0002152900000000, 0.0000000000000000, 0.0003338000000000 ] - [ 0.0000019400000000, -0.0002895000000000, -0.0000000600000000 ] - [ 0.0004549800000000, 0.0008178000000000, 0.0001660600000000 ] - [ 0.0024148600000000, 0.0030130200000000, -0.0070647200000000 ] - [ 0.0057452400000000, 0.0000000000000000, -0.0099432400000000 ] - [ -0.0001955300000000, 0.0000000000000000, 0.0000446700000000 ] - [ 0.0003961100000000, -0.0005013600000000, -0.0000864500000000 ] - [ -0.0018905800000000, -0.0016504300000000, -0.0011744600000000 ] - [ -0.0003057200000000, -0.0007978700000000, -0.0001506100000000 ] - [ 0.0003961100000000, 0.0005013600000000, -0.0000864500000000 ] - [ 0.0000994600000000, 0.0000000000000000, 0.0000643700000000 ] - [ -0.0018905800000000, 0.0016504300000000, -0.0011744600000000 ] - [ -0.0004554300000000, 0.0000000000000000, 0.0003099500000000 ] - [ -0.0003014200000000, 0.0000000000000000, 0.0001971300000000 ] - [ -0.0003057200000000, 0.0007978700000000, -0.0001506100000000 ] - [ 0.0035283300000000, 0.0000000000000000, -0.0024422700000000 ] - [ 0.0016268100000000, 0.0000000000000000, 0.0001186200000000 ] - [ 0.0005594600000000, 0.0000000000000000, -0.0043335100000000 ] - [ 0.0003074900000000, -0.0007973300000000, 0.0001539000000000 ] - [ 0.0004802400000000, 0.0000000000000000, -0.0002968600000000 ] - [ -0.0013753600000000, 0.0000000000000000, 0.0018377800000000 ] - [ 0.0024148600000000, -0.0030130200000000, -0.0070647200000000 ] - [ 0.0003074900000000, 0.0007973300000000, 0.0001539000000000 ] - [ 0.0000019400000000, 0.0002895000000000, -0.0000000600000000 ] - [ 0.0002339700000000, 0.0000000000000000, 0.0001403300000000 ] - [ -0.0001295300000000, 0.0000000000000000, -0.0000378000000000 ] - [ 0.0015889700000000, -0.0017040800000000, 0.0007620300000000 ] - [ -0.0003898700000000, -0.0005007600000000, 0.0000903300000000 ] - [ -0.0004108600000000, -0.0007486800000000, -0.0001413300000000 ] - [ 0.0015889700000000, 0.0017040800000000, 0.0007620300000000 ] - [ 0.0002027400000000, 0.0000000000000000, -0.0000372700000000 ] - [ -0.0003898700000000, 0.0005007600000000, 0.0000903300000000 ] - [ -0.0004391400000000, 0.0000000000000000, 0.0002933100000000 ] - [ -0.0019658300000000, 0.0000000000000000, -0.0002452300000000 ] - [ -0.0004108600000000, 0.0007486800000000, -0.0001413300000000 ] - [ 0.0002199300000000, 0.0000000000000000, -0.0003321100000000 ] - [ 0.0003088200000000, 0.0000000000000000, -0.0001913100000000 ]- atom: 41 displacement: [ 0.0099999817982353, 0.0000000000000000, 0.0000190797002540 ] forces: - [ -0.0113234600000000, 0.0034029000000000, 0.0080177000000000 ] - [ 0.0014584400000000, 0.0000791400000000, 0.0002704700000000 ] - [ -0.0113234600000000, -0.0034029000000000, 0.0080177000000000 ] - [ 0.0015684300000000, 0.0000000000000000, 0.0003830000000000 ] - [ 0.0010863300000000, -0.0001020500000000, 0.0002585900000000 ] - [ 0.0011218700000000, 0.0000000000000000, 0.0009747700000000 ] - [ 0.0017718900000000, -0.0000033400000000, 0.0002671000000000 ] - [ -0.0038789600000000, 0.0000000000000000, -0.0060987200000000 ] - [ 0.0014584400000000, -0.0000791400000000, 0.0002704700000000 ] - [ 0.0020528800000000, 0.0000000000000000, 0.0001280100000000 ] - [ 0.0017585000000000, 0.0000000000000000, -0.0001493100000000 ] - [ 0.0010863300000000, 0.0001020500000000, 0.0002585900000000 ] - [ 0.0010347200000000, 0.0000000000000000, 0.0003758200000000 ] - [ 0.0056318600000000, 0.0033050400000000, 0.0013943700000000 ] - [ 0.0088554100000000, 0.0000000000000000, -0.0100811000000000 ] - [ -0.0097751500000000, -0.0083511900000000, 0.0006590800000000 ] - [ -0.0097751500000000, 0.0083511900000000, 0.0006590800000000 ] - [ 0.0164714600000000, 0.0000000000000000, -0.0048445300000000 ] - [ 0.0017718900000000, 0.0000033400000000, 0.0002671000000000 ] - [ 0.0056318600000000, -0.0033050400000000, 0.0013943700000000 ] - [ 0.0015481500000000, -0.0001560600000000, 0.0003317700000000 ] - [ 0.0016280300000000, -0.0000640800000000, 0.0002134300000000 ] - [ 0.0015481500000000, 0.0001560600000000, 0.0003317700000000 ] - [ 0.0017460600000000, 0.0000000000000000, 0.0002736700000000 ] - [ 0.0013667600000000, 0.0005183800000000, -0.0001340500000000 ] - [ 0.0013235500000000, 0.0000000000000000, 0.0002303300000000 ] - [ 0.0016296300000000, 0.0002209500000000, 0.0003090000000000 ] - [ 0.0017258700000000, 0.0000000000000000, 0.0005385700000000 ] - [ 0.0016280300000000, 0.0000640800000000, 0.0002134300000000 ] - [ 0.0018660500000000, 0.0000000000000000, -0.0000313400000000 ] - [ 0.0019092400000000, 0.0000000000000000, -0.0000019800000000 ] - [ 0.0013667600000000, -0.0005183800000000, -0.0001340500000000 ] - [ 0.0055603500000000, 0.0000000000000000, 0.0045158500000000 ] - [ 0.0018280900000000, -0.0000464700000000, 0.0003600300000000 ] - [ 0.0020506700000000, 0.0000000000000000, 0.0003810800000000 ] - [ 0.0010496900000000, -0.0003477600000000, 0.0003255500000000 ] - [ 0.0010496900000000, 0.0003477600000000, 0.0003255500000000 ] - [ 0.0014550800000000, 0.0000000000000000, 0.0000509000000000 ] - [ 0.0016296300000000, -0.0002209500000000, 0.0003090000000000 ] - [ 0.0018280900000000, 0.0000464700000000, 0.0003600300000000 ] - [ -0.4519286600000000, 0.0000000000000000, -0.0141117600000000 ] - [ 0.0035186000000000, 0.0000000000000000, 0.0004744600000000 ] - [ 0.0061244000000000, 0.0000000000000000, 0.0002506500000000 ] - [ 0.0028927700000000, 0.0000000000000000, -0.0014644700000000 ] - [ 0.0034579100000000, 0.0000000000000000, 0.0007490300000000 ] - [ 0.0053256300000000, 0.0000000000000000, 0.0018648200000000 ] - [ 0.0044921000000000, 0.0000000000000000, 0.0007805000000000 ] - [ 0.0047153000000000, 0.0000000000000000, 0.0007116300000000 ] - [ -0.0136088700000000, 0.0000000000000000, -0.0062821500000000 ] - [ 0.0031480200000000, 0.0000000000000000, 0.0002515300000000 ] - [ 0.0029305000000000, 0.0000000000000000, 0.0005567300000000 ] - [ 0.0036787700000000, 0.0000000000000000, -0.0002088800000000 ] - [ 0.1621181900000000, 0.0000000000000000, 0.0895469400000000 ] - [ -0.0028202300000000, -0.0000527400000000, -0.0005158300000000 ] - [ -0.0021462300000000, 0.0000000000000000, -0.0002510700000000 ] - [ 0.0657734300000000, 0.0000000000000000, -0.0441894300000000 ] - [ -0.0009701100000000, -0.0068616600000000, -0.0017572000000000 ] - [ -0.0028202300000000, 0.0000527400000000, -0.0005158300000000 ] - [ -0.0022962500000000, 0.0002774500000000, 0.0005973700000000 ] - [ -0.0022066400000000, 0.0000000000000000, -0.0006633600000000 ] - [ -0.0024700700000000, 0.0000000000000000, 0.0006723400000000 ] - [ 0.1137652800000000, -0.0959456000000000, -0.0159372800000000 ] - [ -0.0030796900000000, -0.0007782900000000, -0.0002176700000000 ] - [ 0.0002281000000000, -0.0017424300000000, -0.0010718400000000 ] - [ 0.1137652800000000, 0.0959456000000000, -0.0159372800000000 ] - [ -0.0022955600000000, 0.0000000000000000, 0.0000505400000000 ] - [ -0.0030796900000000, 0.0007782900000000, -0.0002176700000000 ] - [ -0.0071218800000000, 0.0000000000000000, -0.0001465000000000 ] - [ 0.0183001200000000, 0.0000000000000000, 0.0103883000000000 ] - [ 0.0002281000000000, 0.0017424300000000, -0.0010718400000000 ] - [ -0.0017998200000000, 0.0000000000000000, -0.0004992700000000 ] - [ -0.0025884300000000, 0.0000000000000000, -0.0018479200000000 ] - [ -0.0027047300000000, 0.0000000000000000, -0.0009399600000000 ] - [ -0.0024043800000000, -0.0003602600000000, -0.0004907000000000 ] - [ -0.0031902600000000, 0.0000000000000000, -0.0005704100000000 ] - [ -0.0022161400000000, 0.0000000000000000, 0.0001893200000000 ] - [ -0.0022962500000000, -0.0002774500000000, 0.0005973700000000 ] - [ -0.0024043800000000, 0.0003602600000000, -0.0004907000000000 ] - [ -0.0009701100000000, 0.0068616600000000, -0.0017572000000000 ] - [ -0.0057215200000000, 0.0000000000000000, -0.0014183900000000 ] - [ -0.0026091300000000, 0.0000000000000000, -0.0003134400000000 ] - [ -0.0023387800000000, -0.0002564400000000, -0.0003919300000000 ] - [ -0.0035332400000000, -0.0013075500000000, -0.0003991100000000 ] - [ -0.0030405800000000, -0.0011737600000000, -0.0007768400000000 ] - [ -0.0023387800000000, 0.0002564400000000, -0.0003919300000000 ] - [ -0.0022160000000000, 0.0000000000000000, -0.0003369100000000 ] - [ -0.0035332400000000, 0.0013075500000000, -0.0003991100000000 ] - [ -0.0041516100000000, 0.0000000000000000, -0.0000045700000000 ] - [ -0.0031711900000000, 0.0000000000000000, -0.0014572800000000 ] - [ -0.0030405800000000, 0.0011737600000000, -0.0007768400000000 ] - [ -0.0019658300000000, 0.0000000000000000, -0.0008049000000000 ] - [ -0.0018050900000000, 0.0000000000000000, -0.0002451500000000 ]- atom: 41 displacement: [ -0.0099999817982353, 0.0000000000000000, -0.0000190797002540 ] forces: - [ 0.0109886600000000, -0.0035706600000000, -0.0079751000000000 ] - [ -0.0016888300000000, -0.0000997000000000, -0.0004305900000000 ] - [ 0.0109886600000000, 0.0035706600000000, -0.0079751000000000 ] - [ -0.0011470500000000, 0.0000000000000000, -0.0003421600000000 ] - [ -0.0010485900000000, 0.0003445600000000, -0.0003204000000000 ] - [ -0.0015414700000000, 0.0000000000000000, -0.0010017600000000 ] - [ -0.0015588900000000, 0.0001536100000000, -0.0003487700000000 ] - [ 0.0035221600000000, 0.0000000000000000, 0.0064692900000000 ] - [ -0.0016888300000000, 0.0000997000000000, -0.0004305900000000 ] - [ -0.0017252900000000, 0.0000000000000000, -0.0005206100000000 ] - [ -0.0019538500000000, 0.0000000000000000, -0.0002336500000000 ] - [ -0.0010485900000000, -0.0003445600000000, -0.0003204000000000 ] - [ -0.0014486100000000, 0.0000000000000000, -0.0000544300000000 ] - [ -0.0053484000000000, -0.0032055200000000, -0.0012041400000000 ] - [ -0.0085059600000000, 0.0000000000000000, 0.0102701500000000 ] - [ 0.0097851400000000, 0.0081153500000000, -0.0005428000000000 ] - [ 0.0097851400000000, -0.0081153500000000, -0.0005428000000000 ] - [ -0.0163478000000000, 0.0000000000000000, 0.0045539100000000 ] - [ -0.0015588900000000, -0.0001536100000000, -0.0003487700000000 ] - [ -0.0053484000000000, 0.0032055200000000, -0.0012041400000000 ] - [ -0.0017467300000000, 0.0000056500000000, -0.0002466500000000 ] - [ -0.0018517400000000, 0.0000410500000000, -0.0003737200000000 ] - [ -0.0017467300000000, -0.0000056500000000, -0.0002466500000000 ] - [ -0.0013217100000000, 0.0000000000000000, -0.0002290600000000 ] - [ -0.0013292500000000, -0.0002780000000000, 0.0000731600000000 ] - [ -0.0017372700000000, 0.0000000000000000, -0.0002705000000000 ] - [ -0.0014174000000000, -0.0000711200000000, -0.0003908500000000 ] - [ -0.0020376800000000, 0.0000000000000000, -0.0001433200000000 ] - [ -0.0018517400000000, -0.0000410500000000, -0.0003737200000000 ] - [ -0.0015400300000000, 0.0000000000000000, -0.0003600800000000 ] - [ -0.0021018700000000, 0.0000000000000000, -0.0003778100000000 ] - [ -0.0013292500000000, 0.0002780000000000, 0.0000731600000000 ] - [ -0.0059857300000000, 0.0000000000000000, -0.0042150900000000 ] - [ -0.0015910400000000, 0.0000684400000000, -0.0001972200000000 ] - [ -0.0018431600000000, 0.0000000000000000, 0.0000005300000000 ] - [ -0.0010799500000000, 0.0001038600000000, -0.0002615600000000 ] - [ -0.0010799500000000, -0.0001038600000000, -0.0002615600000000 ] - [ -0.0010282600000000, 0.0000000000000000, -0.0003729900000000 ] - [ -0.0014174000000000, 0.0000711200000000, -0.0003908500000000 ] - [ -0.0015910400000000, -0.0000684400000000, -0.0001972200000000 ] - [ 0.4556444800000000, 0.0000000000000000, 0.0226747800000000 ] - [ -0.0034053000000000, 0.0000000000000000, -0.0007693200000000 ] - [ -0.0062323000000000, 0.0000000000000000, -0.0001624500000000 ] - [ -0.0027458400000000, 0.0000000000000000, 0.0013537500000000 ] - [ -0.0035462800000000, 0.0000000000000000, -0.0004492800000000 ] - [ -0.0052158200000000, 0.0000000000000000, -0.0021663500000000 ] - [ -0.0046357100000000, 0.0000000000000000, -0.0006803100000000 ] - [ -0.0045391100000000, 0.0000000000000000, -0.0008069800000000 ] - [ 0.0135344200000000, 0.0000000000000000, 0.0065225700000000 ] - [ -0.0029202200000000, 0.0000000000000000, -0.0005650200000000 ] - [ -0.0031358000000000, 0.0000000000000000, -0.0002404800000000 ] - [ -0.0034486500000000, 0.0000000000000000, -0.0000895700000000 ] - [ -0.1700343000000000, 0.0000000000000000, -0.0964101100000000 ] - [ 0.0033961200000000, -0.0015228000000000, 0.0008136100000000 ] - [ 0.0031399400000000, 0.0000000000000000, -0.0003049000000000 ] - [ -0.0657720100000000, 0.0000000000000000, 0.0450246400000000 ] - [ 0.0009558500000000, 0.0063241600000000, 0.0017452500000000 ] - [ 0.0033961200000000, 0.0015228000000000, 0.0008136100000000 ] - [ 0.0022890400000000, 0.0002885200000000, -0.0005946300000000 ] - [ 0.0026776100000000, 0.0000000000000000, 0.0009370200000000 ] - [ 0.0020815300000000, 0.0000000000000000, -0.0006226300000000 ] - [ -0.1113627100000000, 0.0909036600000000, 0.0149185600000000 ] - [ 0.0022872100000000, -0.0002296900000000, 0.0003957200000000 ] - [ -0.0007833800000000, 0.0001412300000000, 0.0007697800000000 ] - [ -0.1113627100000000, -0.0909036600000000, 0.0149185600000000 ] - [ 0.0026922100000000, 0.0000000000000000, -0.0000883000000000 ] - [ 0.0022872100000000, 0.0002296900000000, 0.0003957200000000 ] - [ 0.0060632800000000, 0.0000000000000000, 0.0007023600000000 ] - [ -0.0188869300000000, 0.0000000000000000, -0.0099681600000000 ] - [ -0.0007833800000000, -0.0001412300000000, 0.0007697800000000 ] - [ 0.0022253900000000, 0.0000000000000000, -0.0001692500000000 ] - [ 0.0031848900000000, 0.0000000000000000, 0.0014528400000000 ] - [ 0.0022161100000000, 0.0000000000000000, 0.0006587200000000 ] - [ 0.0029845100000000, -0.0012250600000000, 0.0007881100000000 ] - [ 0.0041666400000000, 0.0000000000000000, 0.0000115300000000 ] - [ 0.0017748200000000, 0.0000000000000000, 0.0004805800000000 ] - [ 0.0022890400000000, -0.0002885200000000, -0.0005946300000000 ] - [ 0.0029845100000000, 0.0012250600000000, 0.0007881100000000 ] - [ 0.0009558500000000, -0.0063241600000000, 0.0017452500000000 ] - [ 0.0062063500000000, 0.0000000000000000, 0.0017058800000000 ] - [ 0.0021925900000000, 0.0000000000000000, 0.0003577200000000 ] - [ 0.0031120900000000, -0.0007500700000000, 0.0002106100000000 ] - [ 0.0027437700000000, 0.0003020900000000, 0.0005788800000000 ] - [ 0.0024403900000000, -0.0004122800000000, 0.0004749600000000 ] - [ 0.0031120900000000, 0.0007500700000000, 0.0002106100000000 ] - [ 0.0026151700000000, 0.0000000000000000, 0.0002924500000000 ] - [ 0.0027437700000000, -0.0003020900000000, 0.0005788800000000 ] - [ 0.0031522800000000, 0.0000000000000000, 0.0005595300000000 ] - [ 0.0025521000000000, 0.0000000000000000, 0.0018430200000000 ] - [ 0.0024403900000000, 0.0004122800000000, 0.0004749600000000 ] - [ 0.0023914500000000, 0.0000000000000000, 0.0001371300000000 ] - [ 0.0023988300000000, 0.0000000000000000, -0.0001582400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0037678500000000, 0.0118092700000000, 0.0175520100000000 ] - [ 0.0000706000000000, -0.0000170900000000, -0.0000493200000000 ] - [ -0.0038431200000000, 0.0118884100000000, -0.0172128900000000 ] - [ 0.0002053000000000, 0.0003281900000000, 0.0000200900000000 ] - [ 0.0000119400000000, 0.0001193300000000, -0.0000326700000000 ] - [ -0.0002117400000000, -0.0021593100000000, -0.0000223200000000 ] - [ 0.0001017800000000, 0.0000774000000000, -0.0000447600000000 ] - [ -0.0000980200000000, 0.0205212100000000, 0.0001789000000000 ] - [ -0.0003184700000000, 0.0000039700000000, -0.0001200700000000 ] - [ 0.0001575800000000, 0.0000147300000000, -0.0001899300000000 ] - [ -0.0001057400000000, -0.0000332400000000, -0.0001902100000000 ] - [ 0.0000139300000000, -0.0001219800000000, -0.0000309900000000 ] - [ -0.0002148800000000, 0.0000007300000000, 0.0001707800000000 ] - [ 0.0088456900000000, 0.0018637700000000, 0.0027030100000000 ] - [ 0.0000938600000000, -0.0130569000000000, 0.0001805700000000 ] - [ -0.0067739800000000, 0.0008309000000000, -0.0095755700000000 ] - [ 0.0067345800000000, 0.0011373400000000, 0.0095773400000000 ] - [ 0.0002529600000000, -0.0013270000000000, -0.0001671700000000 ] - [ 0.0001033500000000, -0.0000688100000000, -0.0000453900000000 ] - [ -0.0085743100000000, 0.0018171600000000, -0.0025436300000000 ] - [ -0.0001082800000000, -0.0000742800000000, 0.0000438600000000 ] - [ -0.0001144500000000, -0.0000122900000000, -0.0000846500000000 ] - [ -0.0001045600000000, 0.0000716400000000, 0.0000444700000000 ] - [ 0.0002065900000000, -0.0000007200000000, 0.0000214400000000 ] - [ -0.0001395100000000, 0.0001439200000000, -0.0001388700000000 ] - [ -0.0002110300000000, -0.0000021000000000, -0.0000211600000000 ] - [ 0.0001008800000000, 0.0000752500000000, -0.0000379700000000 ] - [ -0.0001608200000000, -0.0000027800000000, 0.0001891000000000 ] - [ -0.0001257600000000, 0.0000093200000000, -0.0000812100000000 ] - [ 0.0001570800000000, 0.0000118200000000, -0.0001906800000000 ] - [ -0.0001045500000000, -0.0000073800000000, -0.0001898900000000 ] - [ 0.0001639200000000, -0.0001017600000000, 0.0000745300000000 ] - [ -0.0002053000000000, 0.0013304600000000, 0.0001682600000000 ] - [ 0.0001212200000000, 0.0000141100000000, 0.0000880100000000 ] - [ 0.0001000200000000, -0.0000009300000000, 0.0001891400000000 ] - [ -0.0000163700000000, -0.0001193900000000, 0.0000341400000000 ] - [ -0.0000196400000000, 0.0001205600000000, 0.0000302700000000 ] - [ 0.0002101800000000, -0.0000021800000000, -0.0001651000000000 ] - [ 0.0001104800000000, -0.0000724000000000, -0.0000503100000000 ] - [ 0.0001132000000000, -0.0000075500000000, 0.0000786800000000 ] - [ -0.0077937600000000, -0.4536548100000000, 0.0020963600000000 ] - [ 0.0000623300000000, -0.0000170400000000, -0.0001470200000000 ] - [ -0.0000779800000000, 0.0001452100000000, 0.0000480600000000 ] - [ 0.0000750100000000, 0.0106676600000000, -0.0000328200000000 ] - [ -0.0000728400000000, -0.0000083700000000, 0.0001437900000000 ] - [ 0.0000648900000000, -0.0000873600000000, -0.0001440800000000 ] - [ -0.0000830600000000, 0.0000045200000000, 0.0000473900000000 ] - [ 0.0000689300000000, 0.0000056800000000, -0.0000508700000000 ] - [ -0.0001458500000000, 0.0121365300000000, 0.0001883000000000 ] - [ 0.0001062100000000, 0.0000025100000000, -0.0001654300000000 ] - [ -0.0001152000000000, -0.0000009200000000, 0.0001640600000000 ] - [ 0.0001105000000000, -0.0010708700000000, -0.0001659800000000 ] - [ 0.0003244200000000, 0.0393410400000000, 0.0002316700000000 ] - [ 0.0001288400000000, -0.0007270400000000, 0.0000724000000000 ] - [ 0.0005381000000000, -0.0016589200000000, -0.0002908800000000 ] - [ -0.0000010000000000, 0.0452555100000000, -0.0002584900000000 ] - [ 0.0015246700000000, -0.0011538100000000, -0.0012323300000000 ] - [ 0.0004908900000000, 0.0009044800000000, 0.0002595500000000 ] - [ 0.0000166300000000, 0.0002949700000000, 0.0000094600000000 ] - [ 0.0002073500000000, -0.0000047400000000, 0.0001245800000000 ] - [ -0.0001865900000000, -0.0065078400000000, 0.0000508000000000 ] - [ -0.0890696700000000, 0.1633299200000000, 0.0229476000000000 ] - [ -0.0003693800000000, -0.0004976000000000, 0.0000887800000000 ] - [ -0.0063291100000000, -0.0045925500000000, -0.0028674600000000 ] - [ 0.0966189100000000, 0.1723121000000000, -0.0250034500000000 ] - [ 0.0002120500000000, 0.0003034300000000, -0.0000545100000000 ] - [ -0.0003988100000000, 0.0004974400000000, 0.0000895300000000 ] - [ -0.0005387800000000, 0.0038927400000000, 0.0002910100000000 ] - [ -0.0003076300000000, -0.0100063800000000, 0.0001863700000000 ] - [ 0.0057069100000000, -0.0029545900000000, 0.0025137700000000 ] - [ 0.0002156900000000, -0.0000010200000000, -0.0003216200000000 ] - [ 0.0003108100000000, 0.0000072600000000, -0.0001845400000000 ] - [ -0.0001990500000000, 0.0000170100000000, -0.0001213200000000 ] - [ 0.0003146800000000, -0.0008198100000000, 0.0001653700000000 ] - [ 0.0005411600000000, -0.0000056500000000, -0.0002908000000000 ] - [ -0.0002073200000000, 0.0000201600000000, 0.0003206200000000 ] - [ -0.0000139100000000, -0.0002983100000000, -0.0000102600000000 ] - [ 0.0003017500000000, 0.0008169300000000, 0.0001668500000000 ] - [ -0.0015308200000000, -0.0005095900000000, 0.0012023100000000 ] - [ 0.0001971100000000, -0.0003382500000000, 0.0001278700000000 ] - [ -0.0002066000000000, -0.0000073100000000, 0.0000554300000000 ] - [ 0.0003873800000000, -0.0004927300000000, -0.0000856200000000 ] - [ -0.0004379300000000, -0.0004961400000000, 0.0000869400000000 ] - [ -0.0003042800000000, -0.0008187700000000, -0.0001691600000000 ] - [ 0.0003919300000000, 0.0005016400000000, -0.0000903000000000 ] - [ 0.0002140100000000, 0.0000032600000000, -0.0000533400000000 ] - [ -0.0003308400000000, 0.0005021000000000, 0.0000906700000000 ] - [ -0.0005293600000000, 0.0000065700000000, 0.0002898000000000 ] - [ -0.0003000300000000, -0.0000229800000000, 0.0001880500000000 ] - [ -0.0003010400000000, 0.0008129800000000, -0.0001609300000000 ] - [ 0.0002142900000000, -0.0000920900000000, -0.0003247000000000 ] - [ 0.0003129200000000, 0.0000624400000000, -0.0001812900000000 ]- atom: 41 displacement: [ -0.0016676867133328, 0.0000000000000000, 0.0098599604982055 ] forces: - [ 0.0108213500000000, 0.0200724900000000, 0.0070700800000000 ] - [ -0.0000024700000000, -0.0000913900000000, -0.0001487500000000 ] - [ 0.0108213500000000, -0.0200724900000000, 0.0070700800000000 ] - [ 0.0001491900000000, 0.0000000000000000, -0.0002666600000000 ] - [ 0.0000167600000000, 0.0001176400000000, -0.0000267000000000 ] - [ 0.0009053900000000, 0.0000000000000000, -0.0001800600000000 ] - [ 0.0000888600000000, 0.0000701400000000, -0.0000584000000000 ] - [ -0.0015898800000000, 0.0000000000000000, 0.0054682500000000 ] - [ -0.0000024700000000, 0.0000913900000000, -0.0001487500000000 ] - [ 0.0001676200000000, 0.0000000000000000, -0.0001732000000000 ] - [ -0.0000911000000000, 0.0000000000000000, -0.0000631300000000 ] - [ 0.0000167600000000, -0.0001176400000000, -0.0000267000000000 ] - [ -0.0002080000000000, 0.0000000000000000, 0.0001582300000000 ] - [ -0.0013662900000000, 0.0006499200000000, -0.0015732900000000 ] - [ -0.0067670300000000, 0.0000000000000000, 0.0087971500000000 ] - [ -0.0023901100000000, -0.0021577500000000, 0.0207575400000000 ] - [ -0.0023901100000000, 0.0021577500000000, 0.0207575400000000 ] - [ -0.0070396800000000, 0.0000000000000000, -0.0084076100000000 ] - [ 0.0000888600000000, -0.0000701400000000, -0.0000584000000000 ] - [ -0.0013662900000000, -0.0006499200000000, -0.0015732900000000 ] - [ -0.0000999400000000, -0.0000735700000000, 0.0000423000000000 ] - [ -0.0000961800000000, -0.0000111400000000, -0.0000690100000000 ] - [ -0.0000999400000000, 0.0000735700000000, 0.0000423000000000 ] - [ 0.0002135200000000, 0.0000000000000000, 0.0000235000000000 ] - [ 0.0000537900000000, 0.0005742900000000, -0.0005202800000000 ] - [ -0.0002112200000000, 0.0000000000000000, -0.0000187100000000 ] - [ 0.0000119400000000, 0.0001912700000000, -0.0000018900000000 ] - [ -0.0001559200000000, 0.0000000000000000, 0.0001953000000000 ] - [ -0.0000961800000000, 0.0000111400000000, -0.0000690100000000 ] - [ 0.0000416300000000, 0.0000000000000000, -0.0003123500000000 ] - [ -0.0000620600000000, 0.0000000000000000, -0.0002047400000000 ] - [ 0.0000537900000000, -0.0005742900000000, -0.0005202800000000 ] - [ 0.0006974600000000, 0.0000000000000000, 0.0048205200000000 ] - [ 0.0001283100000000, 0.0000133900000000, 0.0000858300000000 ] - [ 0.0001049100000000, 0.0000000000000000, 0.0001904800000000 ] - [ -0.0000144500000000, -0.0001207900000000, 0.0000314000000000 ] - [ -0.0000144500000000, 0.0001207900000000, 0.0000314000000000 ] - [ 0.0002124500000000, 0.0000000000000000, -0.0001572800000000 ] - [ 0.0000119400000000, -0.0001912700000000, -0.0000018900000000 ] - [ 0.0001283100000000, -0.0000133900000000, 0.0000858300000000 ] - [ 0.0618046600000000, 0.0000000000000000, -0.4216260800000000 ] - [ 0.0000892300000000, 0.0000000000000000, -0.0001703000000000 ] - [ -0.0008819400000000, 0.0000000000000000, 0.0005798000000000 ] - [ 0.0006507600000000, 0.0000000000000000, 0.0033131100000000 ] - [ -0.0000437100000000, 0.0000000000000000, 0.0001514700000000 ] - [ 0.0011626000000000, 0.0000000000000000, 0.0010821400000000 ] - [ -0.0001062500000000, 0.0000000000000000, 0.0000158800000000 ] - [ 0.0000973600000000, 0.0000000000000000, -0.0000509000000000 ] - [ -0.0029251200000000, 0.0000000000000000, -0.0105083000000000 ] - [ 0.0001137600000000, 0.0000000000000000, -0.0001674300000000 ] - [ -0.0001019900000000, 0.0000000000000000, 0.0001585700000000 ] - [ -0.0001753900000000, 0.0000000000000000, 0.0017119500000000 ] - [ 0.0580596600000000, 0.0000000000000000, 0.0837577900000000 ] - [ 0.0005690600000000, -0.0009332700000000, 0.0001739500000000 ] - [ -0.0004539800000000, 0.0000000000000000, -0.0008645100000000 ] - [ -0.0499833200000000, 0.0000000000000000, 0.1982025700000000 ] - [ 0.0036916100000000, 0.0022900600000000, -0.0006100900000000 ] - [ 0.0005690600000000, 0.0009332700000000, 0.0001739500000000 ] - [ -0.0000036800000000, 0.0002849200000000, 0.0000032200000000 ] - [ 0.0002236600000000, 0.0000000000000000, 0.0001344000000000 ] - [ 0.0016127700000000, 0.0000000000000000, -0.0018023400000000 ] - [ -0.0359676500000000, 0.0419708700000000, 0.0447928500000000 ] - [ -0.0004389200000000, -0.0004877800000000, 0.0000906000000000 ] - [ -0.0031104600000000, -0.0031847900000000, -0.0005077800000000 ] - [ -0.0359676500000000, -0.0419708700000000, 0.0447928500000000 ] - [ 0.0001248800000000, 0.0000000000000000, -0.0003203500000000 ] - [ -0.0004389200000000, 0.0004877800000000, 0.0000906000000000 ] - [ 0.0012333200000000, 0.0000000000000000, 0.0007739000000000 ] - [ 0.0018789400000000, 0.0000000000000000, -0.0020326900000000 ] - [ -0.0031104600000000, 0.0031847900000000, -0.0005077800000000 ] - [ 0.0002209700000000, 0.0000000000000000, -0.0003154300000000 ] - [ 0.0003168100000000, 0.0000000000000000, -0.0001928800000000 ] - [ -0.0002435000000000, 0.0000000000000000, -0.0001414800000000 ] - [ 0.0003267000000000, -0.0007655000000000, 0.0001454800000000 ] - [ 0.0004760900000000, 0.0000000000000000, -0.0002825100000000 ] - [ -0.0002199400000000, 0.0000000000000000, 0.0003331800000000 ] - [ -0.0000036800000000, -0.0002849200000000, 0.0000032200000000 ] - [ 0.0003267000000000, 0.0007655000000000, 0.0001454800000000 ] - [ 0.0036916100000000, -0.0022900600000000, -0.0006100900000000 ] - [ -0.0028649300000000, 0.0000000000000000, -0.0002408300000000 ] - [ -0.0002102400000000, 0.0000000000000000, 0.0000239400000000 ] - [ 0.0003850600000000, -0.0005023400000000, -0.0000895100000000 ] - [ -0.0006963200000000, -0.0008833800000000, -0.0001018400000000 ] - [ -0.0003078200000000, -0.0007945300000000, -0.0001525000000000 ] - [ 0.0003850600000000, 0.0005023400000000, -0.0000895100000000 ] - [ 0.0001833200000000, 0.0000000000000000, -0.0000081300000000 ] - [ -0.0006963200000000, 0.0008833800000000, -0.0001018400000000 ] - [ -0.0004982400000000, 0.0000000000000000, 0.0002816200000000 ] - [ -0.0003095900000000, 0.0000000000000000, 0.0001895500000000 ] - [ -0.0003078200000000, 0.0007945300000000, -0.0001525000000000 ] - [ 0.0002373600000000, 0.0000000000000000, -0.0005940600000000 ] - [ 0.0009664000000000, 0.0000000000000000, 0.0000721800000000 ]- atom: 41 displacement: [ 0.0016676867133328, 0.0000000000000000, -0.0098599604982055 ] forces: - [ -0.0109157000000000, -0.0199830900000000, -0.0069281200000000 ] - [ -0.0002254200000000, 0.0000686400000000, -0.0000139400000000 ] - [ -0.0109157000000000, 0.0199830900000000, -0.0069281200000000 ] - [ 0.0002753400000000, 0.0000000000000000, 0.0003039500000000 ] - [ 0.0000165900000000, 0.0001218400000000, -0.0000355500000000 ] - [ -0.0013200800000000, 0.0000000000000000, 0.0001371300000000 ] - [ 0.0001198000000000, 0.0000786400000000, -0.0000251100000000 ] - [ 0.0012647400000000, 0.0000000000000000, -0.0050442900000000 ] - [ -0.0002254200000000, -0.0000686400000000, -0.0000139400000000 ] - [ 0.0001546400000000, 0.0000000000000000, -0.0002163800000000 ] - [ -0.0001094500000000, 0.0000000000000000, -0.0003165500000000 ] - [ 0.0000165900000000, -0.0001218400000000, -0.0000355500000000 ] - [ -0.0002118300000000, 0.0000000000000000, 0.0001603300000000 ] - [ 0.0015844500000000, -0.0006358300000000, 0.0017267100000000 ] - [ 0.0070917400000000, 0.0000000000000000, -0.0083692500000000 ] - [ 0.0022066100000000, 0.0020774200000000, -0.0207486800000000 ] - [ 0.0022066100000000, -0.0020774200000000, -0.0207486800000000 ] - [ 0.0074202000000000, 0.0000000000000000, 0.0080345900000000 ] - [ 0.0001198000000000, -0.0000786400000000, -0.0000251100000000 ] - [ 0.0015844500000000, 0.0006358300000000, 0.0017267100000000 ] - [ -0.0001035600000000, -0.0000745900000000, 0.0000413400000000 ] - [ -0.0001405300000000, -0.0000116600000000, -0.0000980500000000 ] - [ -0.0001035600000000, 0.0000745900000000, 0.0000413400000000 ] - [ 0.0002090800000000, 0.0000000000000000, 0.0000136200000000 ] - [ -0.0000205200000000, -0.0003297800000000, 0.0004563600000000 ] - [ -0.0002145000000000, 0.0000000000000000, -0.0000223200000000 ] - [ 0.0001989700000000, -0.0000415100000000, -0.0000820200000000 ] - [ -0.0001603900000000, 0.0000000000000000, 0.0001963500000000 ] - [ -0.0001405300000000, 0.0000116600000000, -0.0000980500000000 ] - [ 0.0002791200000000, 0.0000000000000000, -0.0000769800000000 ] - [ -0.0001399200000000, 0.0000000000000000, -0.0001752000000000 ] - [ -0.0000205200000000, 0.0003297800000000, 0.0004563600000000 ] - [ -0.0011451300000000, 0.0000000000000000, -0.0044886800000000 ] - [ 0.0001199100000000, 0.0000110500000000, 0.0000822400000000 ] - [ 0.0000987000000000, 0.0000000000000000, 0.0001914700000000 ] - [ -0.0000180600000000, -0.0001211000000000, 0.0000307500000000 ] - [ -0.0000180600000000, 0.0001211000000000, 0.0000307500000000 ] - [ 0.0002075500000000, 0.0000000000000000, -0.0001599400000000 ] - [ 0.0001989700000000, 0.0000415100000000, -0.0000820200000000 ] - [ 0.0001199100000000, -0.0000110500000000, 0.0000822400000000 ] - [ -0.0550056900000000, 0.0000000000000000, 0.4063497000000000 ] - [ 0.0000195100000000, 0.0000000000000000, -0.0001271700000000 ] - [ 0.0007179300000000, 0.0000000000000000, -0.0004768000000000 ] - [ -0.0004788400000000, 0.0000000000000000, -0.0033739900000000 ] - [ -0.0000573200000000, 0.0000000000000000, 0.0001471400000000 ] - [ -0.0010460400000000, 0.0000000000000000, -0.0013741100000000 ] - [ -0.0000532100000000, 0.0000000000000000, 0.0000842900000000 ] - [ 0.0000621000000000, 0.0000000000000000, -0.0000459900000000 ] - [ 0.0027415500000000, 0.0000000000000000, 0.0107012800000000 ] - [ 0.0001043400000000, 0.0000000000000000, -0.0001495900000000 ] - [ -0.0001107100000000, 0.0000000000000000, 0.0001567700000000 ] - [ 0.0003841900000000, 0.0000000000000000, -0.0020089800000000 ] - [ -0.0607935300000000, 0.0000000000000000, -0.0845846400000000 ] - [ 0.0000283100000000, -0.0006570300000000, 0.0001293500000000 ] - [ 0.0014372900000000, 0.0000000000000000, 0.0002975500000000 ] - [ 0.0452934400000000, 0.0000000000000000, -0.1827574000000000 ] - [ -0.0036664500000000, -0.0028401200000000, 0.0006243100000000 ] - [ 0.0000283100000000, 0.0006570300000000, 0.0001293500000000 ] - [ 0.0000023900000000, 0.0002908900000000, -0.0000002700000000 ] - [ 0.0002444600000000, 0.0000000000000000, 0.0001361500000000 ] - [ -0.0020024000000000, 0.0000000000000000, 0.0018369300000000 ] - [ 0.0365307800000000, -0.0428649600000000, -0.0442876200000000 ] - [ -0.0003420900000000, -0.0005169800000000, 0.0000860200000000 ] - [ 0.0024814100000000, 0.0015745600000000, 0.0001977100000000 ] - [ 0.0365307800000000, 0.0428649600000000, -0.0442876200000000 ] - [ 0.0002837600000000, 0.0000000000000000, 0.0002654900000000 ] - [ -0.0003420900000000, 0.0005169800000000, 0.0000860200000000 ] - [ -0.0022143300000000, 0.0000000000000000, -0.0002146100000000 ] - [ -0.0024492500000000, 0.0000000000000000, 0.0024500200000000 ] - [ 0.0024814100000000, -0.0015745600000000, 0.0001977100000000 ] - [ 0.0002083200000000, 0.0000000000000000, -0.0003470900000000 ] - [ 0.0002896300000000, 0.0000000000000000, -0.0001936100000000 ] - [ -0.0002295900000000, 0.0000000000000000, -0.0001363700000000 ] - [ 0.0002689100000000, -0.0008244200000000, 0.0001603900000000 ] - [ 0.0005240700000000, 0.0000000000000000, -0.0002776200000000 ] - [ -0.0002140800000000, 0.0000000000000000, 0.0003316200000000 ] - [ 0.0000023900000000, -0.0002908900000000, -0.0000002700000000 ] - [ 0.0002689100000000, 0.0008244200000000, 0.0001603900000000 ] - [ -0.0036664500000000, 0.0028401200000000, 0.0006243100000000 ] - [ 0.0033115600000000, 0.0000000000000000, 0.0005166100000000 ] - [ -0.0002046200000000, 0.0000000000000000, 0.0000243800000000 ] - [ 0.0003922400000000, -0.0005027300000000, -0.0000885700000000 ] - [ -0.0000873700000000, -0.0001230700000000, 0.0002760000000000 ] - [ -0.0002929100000000, -0.0007924400000000, -0.0001503800000000 ] - [ 0.0003922400000000, 0.0005027300000000, -0.0000885700000000 ] - [ 0.0002278300000000, 0.0000000000000000, -0.0000468300000000 ] - [ -0.0000873700000000, 0.0001230700000000, 0.0002760000000000 ] - [ -0.0004999600000000, 0.0000000000000000, 0.0002773600000000 ] - [ -0.0003038600000000, 0.0000000000000000, 0.0001964800000000 ] - [ -0.0002929100000000, 0.0007924400000000, -0.0001503800000000 ] - [ 0.0001918900000000, 0.0000000000000000, -0.0000715600000000 ] - [ -0.0003537800000000, 0.0000000000000000, -0.0004589800000000 ]- atom: 43 displacement: [ 0.0099999817982353, 0.0000000000000000, 0.0000190797002540 ] forces: - [ 0.0014597700000000, -0.0006295600000000, -0.0002078800000000 ] - [ -0.0074720800000000, 0.0022147600000000, -0.0016441000000000 ] - [ 0.0014597700000000, 0.0006295600000000, -0.0002078800000000 ] - [ -0.0156899400000000, 0.0000000000000000, -0.0029677600000000 ] - [ 0.0012920900000000, 0.0003385700000000, 0.0001099100000000 ] - [ -0.0070043000000000, 0.0000000000000000, -0.0090592000000000 ] - [ 0.0056685200000000, 0.0038750000000000, 0.0037791000000000 ] - [ 0.0007742900000000, 0.0000000000000000, 0.0008657200000000 ] - [ -0.0074720800000000, -0.0022147600000000, -0.0016441000000000 ] - [ 0.0121532400000000, 0.0000000000000000, -0.0063184200000000 ] - [ -0.0022519700000000, 0.0000000000000000, -0.0045823300000000 ] - [ 0.0012920900000000, -0.0003385700000000, 0.0001099100000000 ] - [ 0.0012019200000000, 0.0000000000000000, 0.0004854000000000 ] - [ 0.0057936700000000, -0.0089915900000000, -0.0027405000000000 ] - [ 0.0084755700000000, 0.0000000000000000, 0.0075344000000000 ] - [ 0.0013446300000000, -0.0005112700000000, 0.0005570200000000 ] - [ 0.0013446300000000, 0.0005112700000000, 0.0005570200000000 ] - [ 0.0018608100000000, 0.0000000000000000, 0.0000902000000000 ] - [ 0.0056685200000000, -0.0038750000000000, 0.0037791000000000 ] - [ 0.0057936700000000, 0.0089915900000000, -0.0027405000000000 ] - [ 0.0020731600000000, -0.0001895200000000, 0.0004196500000000 ] - [ 0.0021416400000000, -0.0000878500000000, 0.0002857500000000 ] - [ 0.0020731600000000, 0.0001895200000000, 0.0004196500000000 ] - [ 0.0022295600000000, 0.0000000000000000, 0.0003442400000000 ] - [ 0.0014253600000000, -0.0001695800000000, 0.0003569500000000 ] - [ 0.0018078400000000, 0.0000000000000000, 0.0003089900000000 ] - [ 0.0022784600000000, -0.0000270200000000, 0.0003430000000000 ] - [ 0.0023255700000000, 0.0000000000000000, 0.0006516700000000 ] - [ 0.0021416400000000, 0.0000878500000000, 0.0002857500000000 ] - [ 0.0026455100000000, 0.0000000000000000, 0.0002501000000000 ] - [ 0.0024668300000000, 0.0000000000000000, 0.0000620300000000 ] - [ 0.0014253600000000, 0.0001695800000000, 0.0003569500000000 ] - [ 0.0014603500000000, 0.0000000000000000, 0.0004761700000000 ] - [ 0.0023738700000000, -0.0000644200000000, 0.0004468200000000 ] - [ 0.0026687700000000, 0.0000000000000000, 0.0004428600000000 ] - [ 0.0013804000000000, -0.0004350800000000, 0.0004263300000000 ] - [ 0.0013804000000000, 0.0004350800000000, 0.0004263300000000 ] - [ 0.0017012000000000, 0.0000000000000000, 0.0000077100000000 ] - [ 0.0022784600000000, 0.0000270200000000, 0.0003430000000000 ] - [ 0.0023738700000000, 0.0000644200000000, 0.0004468200000000 ] - [ 0.0061428500000000, 0.0000000000000000, 0.0003909200000000 ] - [ 0.0028396000000000, 0.0000000000000000, 0.0008982200000000 ] - [ -0.4466109000000000, 0.0000000000000000, 0.0239181100000000 ] - [ -0.0301800900000000, 0.0000000000000000, 0.0021323400000000 ] - [ 0.0045252300000000, 0.0000000000000000, 0.0008985100000000 ] - [ 0.0046710200000000, 0.0000000000000000, 0.0006466000000000 ] - [ 0.0060029100000000, 0.0000000000000000, 0.0010582200000000 ] - [ 0.0061724400000000, 0.0000000000000000, 0.0009630600000000 ] - [ 0.0038854100000000, 0.0000000000000000, 0.0002642100000000 ] - [ 0.0042620900000000, 0.0000000000000000, 0.0014940100000000 ] - [ 0.0039198300000000, 0.0000000000000000, 0.0007162600000000 ] - [ 0.0040882300000000, 0.0000000000000000, 0.0003693700000000 ] - [ -0.0037651300000000, 0.0000000000000000, -0.0012548400000000 ] - [ 0.0737282100000000, -0.0531376900000000, 0.0278468600000000 ] - [ 0.0242696100000000, 0.0000000000000000, 0.0001320100000000 ] - [ -0.0026555000000000, 0.0000000000000000, 0.0006032500000000 ] - [ -0.0029980400000000, -0.0002761700000000, 0.0008307800000000 ] - [ 0.0737282100000000, 0.0531376900000000, 0.0278468600000000 ] - [ -0.0030525300000000, 0.0004653100000000, 0.0006945300000000 ] - [ -0.0020708900000000, 0.0000000000000000, -0.0005274100000000 ] - [ 0.0105037900000000, 0.0000000000000000, -0.0005930400000000 ] - [ -0.0048489700000000, -0.0017597800000000, -0.0005156700000000 ] - [ -0.0012058100000000, -0.0018842000000000, 0.0002905200000000 ] - [ 0.0049191300000000, 0.0063437900000000, 0.0014984100000000 ] - [ -0.0048489700000000, 0.0017597800000000, -0.0005156700000000 ] - [ 0.0660820500000000, 0.0000000000000000, -0.0445833900000000 ] - [ -0.0012058100000000, 0.0018842000000000, 0.0002905200000000 ] - [ 0.2236382300000000, 0.0000000000000000, -0.0222408700000000 ] - [ -0.0031643000000000, 0.0000000000000000, -0.0016845400000000 ] - [ 0.0049191300000000, -0.0063437900000000, 0.0014984100000000 ] - [ -0.0016102100000000, 0.0000000000000000, -0.0005440300000000 ] - [ -0.0063539000000000, 0.0000000000000000, -0.0038012000000000 ] - [ -0.0033864100000000, 0.0000000000000000, -0.0011830500000000 ] - [ -0.0033126200000000, -0.0002791900000000, -0.0006793300000000 ] - [ -0.0043422000000000, 0.0000000000000000, -0.0006540200000000 ] - [ -0.0028437500000000, 0.0000000000000000, 0.0001549400000000 ] - [ -0.0030525300000000, -0.0004653100000000, 0.0006945300000000 ] - [ -0.0033126200000000, 0.0002791900000000, -0.0006793300000000 ] - [ -0.0029980400000000, 0.0002761700000000, 0.0008307800000000 ] - [ -0.0030099700000000, 0.0000000000000000, -0.0009157500000000 ] - [ -0.0033698200000000, 0.0000000000000000, -0.0004389000000000 ] - [ -0.0031903500000000, -0.0001974200000000, -0.0004813800000000 ] - [ -0.0039974900000000, -0.0008390900000000, -0.0003133500000000 ] - [ -0.0039065000000000, -0.0012812800000000, -0.0009711800000000 ] - [ -0.0031903500000000, 0.0001974200000000, -0.0004813800000000 ] - [ -0.0029628900000000, 0.0000000000000000, -0.0004534500000000 ] - [ -0.0039974900000000, 0.0008390900000000, -0.0003133500000000 ] - [ -0.0053037100000000, 0.0000000000000000, -0.0001022400000000 ] - [ -0.0040926100000000, 0.0000000000000000, -0.0020330400000000 ] - [ -0.0039065000000000, 0.0012812800000000, -0.0009711800000000 ] - [ -0.0024211900000000, 0.0000000000000000, -0.0005290600000000 ] - [ -0.0034741400000000, 0.0000000000000000, -0.0023575200000000 ]- atom: 43 displacement: [ -0.0099999817982353, 0.0000000000000000, -0.0000190797002540 ] forces: - [ -0.0016681900000000, 0.0004748500000000, 0.0002875000000000 ] - [ 0.0071801400000000, -0.0022348500000000, 0.0014326700000000 ] - [ -0.0016681900000000, -0.0004748500000000, 0.0002875000000000 ] - [ 0.0161287800000000, 0.0000000000000000, 0.0030060900000000 ] - [ -0.0012568800000000, -0.0000804600000000, -0.0001716100000000 ] - [ 0.0065893600000000, 0.0000000000000000, 0.0090417400000000 ] - [ -0.0054383800000000, -0.0036634300000000, -0.0038046800000000 ] - [ -0.0010986300000000, 0.0000000000000000, -0.0004726500000000 ] - [ 0.0071801400000000, 0.0022348500000000, 0.0014326700000000 ] - [ -0.0116052700000000, 0.0000000000000000, 0.0058001900000000 ] - [ 0.0019940800000000, 0.0000000000000000, 0.0042025900000000 ] - [ -0.0012568800000000, 0.0000804600000000, -0.0001716100000000 ] - [ -0.0016171500000000, 0.0000000000000000, -0.0001663200000000 ] - [ -0.0056223400000000, 0.0090543200000000, 0.0029398800000000 ] - [ -0.0083572100000000, 0.0000000000000000, -0.0072001300000000 ] - [ -0.0013790400000000, 0.0002629100000000, -0.0004999800000000 ] - [ -0.0013790400000000, -0.0002629100000000, -0.0004999800000000 ] - [ -0.0014491900000000, 0.0000000000000000, -0.0004058300000000 ] - [ -0.0054383800000000, 0.0036634300000000, -0.0038046800000000 ] - [ -0.0056223400000000, -0.0090543200000000, 0.0029398800000000 ] - [ -0.0022794200000000, 0.0000348800000000, -0.0003394800000000 ] - [ -0.0023706600000000, 0.0000634400000000, -0.0004470200000000 ] - [ -0.0022794200000000, -0.0000348800000000, -0.0003394800000000 ] - [ -0.0018043600000000, 0.0000000000000000, -0.0002972400000000 ] - [ -0.0013865300000000, 0.0004158900000000, -0.0004131800000000 ] - [ -0.0022293500000000, 0.0000000000000000, -0.0003417500000000 ] - [ -0.0020642400000000, 0.0001811500000000, -0.0004222000000000 ] - [ -0.0026485200000000, 0.0000000000000000, -0.0002573100000000 ] - [ -0.0023706600000000, -0.0000634400000000, -0.0004470200000000 ] - [ -0.0023124900000000, 0.0000000000000000, -0.0006431500000000 ] - [ -0.0026653600000000, 0.0000000000000000, -0.0004422400000000 ] - [ -0.0013865300000000, -0.0004158900000000, -0.0004131800000000 ] - [ -0.0018660100000000, 0.0000000000000000, -0.0001592700000000 ] - [ -0.0021373400000000, 0.0000878100000000, -0.0002846600000000 ] - [ -0.0024613600000000, 0.0000000000000000, -0.0000621600000000 ] - [ -0.0014145700000000, 0.0001868000000000, -0.0003682800000000 ] - [ -0.0014145700000000, -0.0001868000000000, -0.0003682800000000 ] - [ -0.0012916000000000, 0.0000000000000000, -0.0003254000000000 ] - [ -0.0020642400000000, -0.0001811500000000, -0.0004222000000000 ] - [ -0.0021373400000000, -0.0000878100000000, -0.0002846600000000 ] - [ -0.0062196700000000, 0.0000000000000000, -0.0000827100000000 ] - [ -0.0027822100000000, 0.0000000000000000, -0.0012084900000000 ] - [ 0.4626226000000000, 0.0000000000000000, -0.0277663300000000 ] - [ 0.0304616000000000, 0.0000000000000000, -0.0022284800000000 ] - [ -0.0046055600000000, 0.0000000000000000, -0.0005943800000000 ] - [ -0.0045768400000000, 0.0000000000000000, -0.0009501100000000 ] - [ -0.0061581500000000, 0.0000000000000000, -0.0009606700000000 ] - [ -0.0059979200000000, 0.0000000000000000, -0.0010582700000000 ] - [ -0.0040786900000000, 0.0000000000000000, 0.0000455800000000 ] - [ -0.0040472000000000, 0.0000000000000000, -0.0017797700000000 ] - [ -0.0041181500000000, 0.0000000000000000, -0.0004065100000000 ] - [ -0.0038806000000000, 0.0000000000000000, -0.0006774200000000 ] - [ 0.0032578400000000, 0.0000000000000000, 0.0009767800000000 ] - [ -0.0732297300000000, 0.0503139000000000, -0.0269622800000000 ] - [ -0.0233136800000000, 0.0000000000000000, -0.0006872500000000 ] - [ 0.0022260800000000, 0.0000000000000000, 0.0000640400000000 ] - [ 0.0029923200000000, -0.0002640400000000, -0.0008306800000000 ] - [ -0.0732297300000000, -0.0503139000000000, -0.0269622800000000 ] - [ 0.0030480900000000, 0.0000759700000000, -0.0006954400000000 ] - [ 0.0025886500000000, 0.0000000000000000, 0.0008137200000000 ] - [ -0.0109564800000000, 0.0000000000000000, 0.0006224500000000 ] - [ 0.0056362700000000, 0.0007370000000000, 0.0003347800000000 ] - [ 0.0004478500000000, 0.0008476800000000, -0.0000969400000000 ] - [ -0.0055447600000000, -0.0079288700000000, -0.0017838100000000 ] - [ 0.0056362700000000, -0.0007370000000000, 0.0003347800000000 ] - [ -0.0662720100000000, 0.0000000000000000, 0.0446604300000000 ] - [ 0.0004478500000000, -0.0008476800000000, -0.0000969400000000 ] - [ -0.2399253800000000, 0.0000000000000000, 0.0254915200000000 ] - [ 0.0025643700000000, 0.0000000000000000, 0.0020678600000000 ] - [ -0.0055447600000000, 0.0079288700000000, -0.0017838100000000 ] - [ 0.0020593700000000, 0.0000000000000000, -0.0001228000000000 ] - [ 0.0068943900000000, 0.0000000000000000, 0.0033770600000000 ] - [ 0.0028773300000000, 0.0000000000000000, 0.0009015700000000 ] - [ 0.0038974400000000, -0.0012863700000000, 0.0009709000000000 ] - [ 0.0053037900000000, 0.0000000000000000, 0.0000998400000000 ] - [ 0.0024154300000000, 0.0000000000000000, 0.0005156200000000 ] - [ 0.0030480900000000, -0.0000759700000000, -0.0006954400000000 ] - [ 0.0038974400000000, 0.0012863700000000, 0.0009709000000000 ] - [ 0.0029923200000000, 0.0002640400000000, -0.0008306800000000 ] - [ 0.0035108600000000, 0.0000000000000000, 0.0011937900000000 ] - [ 0.0029575700000000, 0.0000000000000000, 0.0004593600000000 ] - [ 0.0039803000000000, -0.0008213800000000, 0.0003056900000000 ] - [ 0.0031978400000000, -0.0001793400000000, 0.0004878300000000 ] - [ 0.0033100900000000, -0.0002854500000000, 0.0006762500000000 ] - [ 0.0039803000000000, 0.0008213800000000, 0.0003056900000000 ] - [ 0.0033649600000000, 0.0000000000000000, 0.0004326800000000 ] - [ 0.0031978400000000, 0.0001793400000000, 0.0004878300000000 ] - [ 0.0043285300000000, 0.0000000000000000, 0.0006540800000000 ] - [ 0.0034926400000000, 0.0000000000000000, 0.0024153800000000 ] - [ 0.0033100900000000, 0.0002854500000000, 0.0006762500000000 ] - [ 0.0028420000000000, 0.0000000000000000, -0.0001420600000000 ] - [ 0.0040623200000000, 0.0000000000000000, 0.0019658100000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002890500000000, -0.0000702000000000, -0.0000679800000000 ] - [ 0.0003013800000000, 0.0021293900000000, 0.0040357400000000 ] - [ 0.0000732700000000, 0.0000779400000000, 0.0001545100000000 ] - [ 0.0002190000000000, 0.0235350100000000, 0.0000803700000000 ] - [ 0.0011192000000000, 0.0002215900000000, 0.0004981200000000 ] - [ -0.0001855300000000, -0.0045831200000000, -0.0000198700000000 ] - [ 0.0082949600000000, -0.0007696800000000, 0.0036073000000000 ] - [ -0.0001723600000000, -0.0000369000000000, 0.0001863700000000 ] - [ -0.0004752200000000, 0.0021820400000000, -0.0042167600000000 ] - [ 0.0001336400000000, -0.0079774800000000, -0.0001891900000000 ] - [ -0.0000373100000000, 0.0188271800000000, -0.0001915300000000 ] - [ -0.0010958500000000, -0.0000225000000000, -0.0005578100000000 ] - [ -0.0002153400000000, -0.0000580900000000, 0.0001707000000000 ] - [ -0.0050821900000000, 0.0010052400000000, 0.0003427200000000 ] - [ 0.0001181700000000, -0.0007073000000000, 0.0001946000000000 ] - [ -0.0000222100000000, -0.0001190400000000, 0.0000362000000000 ] - [ -0.0000068200000000, 0.0001192800000000, 0.0000239600000000 ] - [ 0.0002099800000000, -0.0000026400000000, -0.0001623700000000 ] - [ -0.0080654200000000, -0.0009288200000000, -0.0036767900000000 ] - [ 0.0052933900000000, 0.0010234600000000, -0.0001566600000000 ] - [ -0.0000999200000000, -0.0000740100000000, 0.0000438800000000 ] - [ -0.0001290000000000, -0.0000147400000000, -0.0000895800000000 ] - [ -0.0000982400000000, 0.0000711200000000, 0.0000461900000000 ] - [ 0.0002063000000000, 0.0000008400000000, 0.0000210200000000 ] - [ 0.0000122900000000, 0.0001206100000000, -0.0000324200000000 ] - [ -0.0002118100000000, -0.0000021900000000, -0.0000223300000000 ] - [ 0.0000968300000000, 0.0000741400000000, -0.0000459800000000 ] - [ -0.0001603400000000, -0.0000039900000000, 0.0001908200000000 ] - [ -0.0001239300000000, 0.0000089200000000, -0.0000806800000000 ] - [ 0.0001561100000000, 0.0000028200000000, -0.0001920900000000 ] - [ -0.0001064100000000, -0.0000003900000000, -0.0001902900000000 ] - [ 0.0000117100000000, -0.0001217900000000, -0.0000311100000000 ] - [ -0.0002138600000000, 0.0000001200000000, 0.0001607000000000 ] - [ 0.0001335800000000, 0.0000162600000000, 0.0000924300000000 ] - [ 0.0001002600000000, -0.0000003700000000, 0.0001892200000000 ] - [ 0.0000010800000000, -0.0001228100000000, 0.0000489400000000 ] - [ -0.0000349600000000, 0.0001186700000000, 0.0000146500000000 ] - [ 0.0002107100000000, -0.0000617900000000, -0.0001617500000000 ] - [ 0.0000959400000000, -0.0000728300000000, -0.0000457100000000 ] - [ 0.0001115300000000, -0.0000067000000000, 0.0000780000000000 ] - [ -0.0000643000000000, 0.0001466400000000, 0.0001475000000000 ] - [ 0.0000621800000000, 0.0106658400000000, -0.0001571200000000 ] - [ -0.0047669900000000, -0.3809083300000000, -0.0050619400000000 ] - [ 0.0000382400000000, 0.0082566100000000, -0.0001243300000000 ] - [ -0.0000696800000000, -0.0000024900000000, 0.0001439700000000 ] - [ 0.0000553900000000, 0.0000006700000000, -0.0001481000000000 ] - [ -0.0000858000000000, -0.0000025400000000, 0.0000477900000000 ] - [ 0.0000693800000000, 0.0000053400000000, -0.0000521700000000 ] - [ -0.0001156800000000, -0.0000141600000000, 0.0001602200000000 ] - [ 0.0001065800000000, -0.0003011600000000, -0.0001620600000000 ] - [ -0.0001153800000000, 0.0000991700000000, 0.0001608700000000 ] - [ 0.0001066700000000, 0.0000009200000000, -0.0001628300000000 ] - [ -0.0002072000000000, -0.0000394300000000, -0.0001237200000000 ] - [ -0.0454295300000000, 0.1355945500000000, -0.0495715200000000 ] - [ 0.0005158100000000, -0.0111491400000000, -0.0002533200000000 ] - [ -0.0002085100000000, 0.0000324000000000, 0.0003205500000000 ] - [ 0.0000008100000000, -0.0002951500000000, 0.0000017800000000 ] - [ 0.0500937600000000, 0.1446130000000000, 0.0542297400000000 ] - [ -0.0001913200000000, 0.0003537100000000, 0.0001064000000000 ] - [ 0.0002137000000000, -0.0016977500000000, 0.0001299900000000 ] - [ -0.0001590600000000, -0.0074799300000000, 0.0000727500000000 ] - [ 0.0006696400000000, -0.0004144400000000, -0.0001459000000000 ] - [ -0.0064359400000000, -0.0043185900000000, -0.0013083500000000 ] - [ 0.0005364800000000, -0.0016649300000000, 0.0001736900000000 ] - [ 0.0001104900000000, 0.0005947300000000, -0.0000301500000000 ] - [ 0.0000487400000000, 0.0402431800000000, 0.0006824700000000 ] - [ 0.0056491700000000, -0.0033285000000000, 0.0015047400000000 ] - [ 0.0001231900000000, 0.0380197900000000, 0.0002204300000000 ] - [ -0.0003007600000000, -0.0000642100000000, 0.0001896200000000 ] - [ -0.0011389600000000, -0.0000904400000000, -0.0004730200000000 ] - [ 0.0002272400000000, -0.0050488800000000, -0.0003191200000000 ] - [ 0.0003089100000000, 0.0043177000000000, -0.0001845500000000 ] - [ -0.0002046800000000, 0.0000343200000000, -0.0001244200000000 ] - [ 0.0003106200000000, -0.0008133400000000, 0.0001595700000000 ] - [ 0.0005343600000000, -0.0000089200000000, -0.0002873900000000 ] - [ -0.0002073400000000, 0.0000348500000000, 0.0003226600000000 ] - [ 0.0001947100000000, -0.0002340200000000, -0.0001069900000000 ] - [ 0.0003057100000000, 0.0008160200000000, 0.0001654700000000 ] - [ 0.0000031900000000, 0.0002977700000000, -0.0000083800000000 ] - [ 0.0002141700000000, 0.0000017100000000, 0.0001331300000000 ] - [ -0.0002056700000000, -0.0000060200000000, 0.0000503200000000 ] - [ 0.0003850200000000, -0.0004932900000000, -0.0000849700000000 ] - [ -0.0003887600000000, -0.0004984200000000, 0.0000879800000000 ] - [ -0.0003026300000000, -0.0008148800000000, -0.0001651600000000 ] - [ 0.0003960600000000, 0.0005006600000000, -0.0000900800000000 ] - [ 0.0002146500000000, 0.0000079900000000, -0.0000462400000000 ] - [ -0.0003795900000000, 0.0004962600000000, 0.0000885600000000 ] - [ -0.0005199300000000, 0.0000060700000000, 0.0002868600000000 ] - [ -0.0002988900000000, -0.0000374300000000, 0.0001896700000000 ] - [ -0.0002986200000000, 0.0008091200000000, -0.0001578700000000 ] - [ 0.0002158600000000, 0.0000040700000000, -0.0003263900000000 ] - [ 0.0003108800000000, -0.0000039900000000, -0.0001861700000000 ]- atom: 43 displacement: [ -0.0016676867133328, 0.0000000000000000, 0.0098599604982055 ] forces: - [ 0.0005012000000000, 0.0001920700000000, 0.0004564100000000 ] - [ -0.0053086500000000, -0.0042544600000000, 0.0177001100000000 ] - [ 0.0005012000000000, -0.0001920700000000, 0.0004564100000000 ] - [ -0.0032130800000000, 0.0000000000000000, 0.0028824500000000 ] - [ 0.0002579400000000, 0.0001439800000000, -0.0005535000000000 ] - [ 0.0006738100000000, 0.0000000000000000, 0.0210795300000000 ] - [ 0.0039313800000000, 0.0008709700000000, 0.0026019000000000 ] - [ 0.0000694700000000, 0.0000000000000000, -0.0002919600000000 ] - [ -0.0053086500000000, 0.0042544600000000, 0.0177001100000000 ] - [ -0.0116780100000000, 0.0000000000000000, -0.0047860700000000 ] - [ 0.0000378600000000, 0.0000000000000000, -0.0078713300000000 ] - [ 0.0002579400000000, -0.0001439800000000, -0.0005535000000000 ] - [ -0.0001376400000000, 0.0000000000000000, 0.0003450700000000 ] - [ -0.0031581500000000, 0.0026094100000000, 0.0016628300000000 ] - [ 0.0028315400000000, 0.0000000000000000, -0.0031654500000000 ] - [ 0.0000095500000000, -0.0000648700000000, -0.0000760400000000 ] - [ 0.0000095500000000, 0.0000648700000000, -0.0000760400000000 ] - [ 0.0001960800000000, 0.0000000000000000, -0.0001290800000000 ] - [ 0.0039313800000000, -0.0008709700000000, 0.0026019000000000 ] - [ -0.0031581500000000, -0.0026094100000000, 0.0016628300000000 ] - [ -0.0001060500000000, -0.0000763500000000, 0.0000385300000000 ] - [ -0.0001194400000000, -0.0000098700000000, -0.0000811000000000 ] - [ -0.0001060500000000, 0.0000763500000000, 0.0000385300000000 ] - [ 0.0002024100000000, 0.0000000000000000, 0.0000170300000000 ] - [ 0.0000127200000000, 0.0001187900000000, -0.0000309100000000 ] - [ -0.0002180300000000, 0.0000000000000000, -0.0000207400000000 ] - [ 0.0000949300000000, 0.0000742900000000, -0.0000433700000000 ] - [ -0.0001655600000000, 0.0000000000000000, 0.0001987800000000 ] - [ -0.0001194400000000, 0.0000098700000000, -0.0000811000000000 ] - [ 0.0001518600000000, 0.0000000000000000, -0.0001972500000000 ] - [ -0.0001102200000000, 0.0000000000000000, -0.0001914000000000 ] - [ 0.0000127200000000, -0.0001187900000000, -0.0000309100000000 ] - [ -0.0002332600000000, 0.0000000000000000, 0.0001338600000000 ] - [ 0.0001058300000000, 0.0000103600000000, 0.0000773400000000 ] - [ 0.0000907900000000, 0.0000000000000000, 0.0001907100000000 ] - [ -0.0000221700000000, -0.0001269600000000, 0.0000445200000000 ] - [ -0.0000221700000000, 0.0001269600000000, 0.0000445200000000 ] - [ 0.0001604300000000, 0.0000000000000000, -0.0002833200000000 ] - [ 0.0000949300000000, -0.0000742900000000, -0.0000433700000000 ] - [ 0.0001058300000000, -0.0000103600000000, 0.0000773400000000 ] - [ -0.0008729500000000, 0.0000000000000000, 0.0006707900000000 ] - [ -0.0018067400000000, 0.0000000000000000, 0.0027683400000000 ] - [ 0.0995098700000000, 0.0000000000000000, -0.4229408200000000 ] - [ 0.0072749200000000, 0.0000000000000000, -0.0042076300000000 ] - [ -0.0000900200000000, 0.0000000000000000, 0.0001128900000000 ] - [ 0.0000243600000000, 0.0000000000000000, -0.0001598800000000 ] - [ -0.0001026000000000, 0.0000000000000000, 0.0000465200000000 ] - [ 0.0000586400000000, 0.0000000000000000, -0.0000512600000000 ] - [ -0.0001136800000000, 0.0000000000000000, 0.0004456300000000 ] - [ 0.0000423000000000, 0.0000000000000000, 0.0007935900000000 ] - [ -0.0000681000000000, 0.0000000000000000, 0.0001095300000000 ] - [ 0.0001010900000000, 0.0000000000000000, -0.0001573200000000 ] - [ -0.0000168000000000, 0.0000000000000000, -0.0000928000000000 ] - [ 0.0145752500000000, -0.0458194500000000, 0.0579541300000000 ] - [ 0.0001901900000000, 0.0000000000000000, -0.0032005400000000 ] - [ -0.0003871400000000, 0.0000000000000000, -0.0000352600000000 ] - [ -0.0000131800000000, -0.0002797400000000, -0.0000351100000000 ] - [ 0.0145752500000000, 0.0458194500000000, 0.0579541300000000 ] - [ -0.0001311900000000, 0.0002290200000000, -0.0000764000000000 ] - [ 0.0015591800000000, 0.0000000000000000, 0.0002107600000000 ] - [ 0.0004895100000000, 0.0000000000000000, 0.0044904400000000 ] - [ 0.0016308700000000, 0.0001242000000000, -0.0002630700000000 ] - [ 0.0038577800000000, 0.0029748500000000, -0.0005278900000000 ] - [ -0.0044268600000000, 0.0006567600000000, -0.0016557600000000 ] - [ 0.0016308700000000, -0.0001242000000000, -0.0002630700000000 ] - [ -0.0512067400000000, 0.0000000000000000, 0.2159637100000000 ] - [ 0.0038577800000000, -0.0029748500000000, -0.0005278900000000 ] - [ -0.0630061400000000, 0.0000000000000000, 0.0455912700000000 ] - [ -0.0009498900000000, 0.0000000000000000, 0.0000745900000000 ] - [ -0.0044268600000000, -0.0006567600000000, -0.0016557600000000 ] - [ -0.0012394200000000, 0.0000000000000000, -0.0032300100000000 ] - [ -0.0017397700000000, 0.0000000000000000, 0.0004459600000000 ] - [ -0.0001568100000000, 0.0000000000000000, -0.0001389100000000 ] - [ 0.0003063300000000, -0.0007901900000000, 0.0001513000000000 ] - [ 0.0005057700000000, 0.0000000000000000, -0.0002770100000000 ] - [ -0.0002144100000000, 0.0000000000000000, 0.0003480700000000 ] - [ -0.0001311900000000, -0.0002290200000000, -0.0000764000000000 ] - [ 0.0003063300000000, 0.0007901900000000, 0.0001513000000000 ] - [ -0.0000131800000000, 0.0002797400000000, -0.0000351100000000 ] - [ 0.0002718700000000, 0.0000000000000000, 0.0001495900000000 ] - [ -0.0001910800000000, 0.0000000000000000, 0.0000154500000000 ] - [ 0.0004125600000000, -0.0005134200000000, -0.0000837000000000 ] - [ -0.0003783600000000, -0.0004999800000000, 0.0000914500000000 ] - [ -0.0002831500000000, -0.0007836300000000, -0.0001435700000000 ] - [ 0.0004125600000000, 0.0005134200000000, -0.0000837000000000 ] - [ 0.0002138900000000, 0.0000000000000000, -0.0000163000000000 ] - [ -0.0003783600000000, 0.0004999800000000, 0.0000914500000000 ] - [ -0.0004679100000000, 0.0000000000000000, 0.0002785100000000 ] - [ -0.0003078900000000, 0.0000000000000000, 0.0001972100000000 ] - [ -0.0002831500000000, 0.0007836300000000, -0.0001435700000000 ] - [ 0.0002276300000000, 0.0000000000000000, -0.0003374800000000 ] - [ 0.0003121600000000, 0.0000000000000000, -0.0001946600000000 ]- atom: 43 displacement: [ 0.0016676867133328, 0.0000000000000000, -0.0098599604982055 ] forces: - [ -0.0007163300000000, -0.0003426700000000, -0.0003774100000000 ] - [ 0.0051787700000000, 0.0043733300000000, -0.0178817900000000 ] - [ -0.0007163300000000, 0.0003426700000000, -0.0003774100000000 ] - [ 0.0036492500000000, 0.0000000000000000, -0.0028887500000000 ] - [ -0.0002270100000000, 0.0000952100000000, 0.0004963700000000 ] - [ -0.0012975500000000, 0.0000000000000000, -0.0211673000000000 ] - [ -0.0037185700000000, -0.0007241200000000, -0.0027096100000000 ] - [ -0.0003903300000000, 0.0000000000000000, 0.0006871900000000 ] - [ 0.0051787700000000, -0.0043733300000000, -0.0178817900000000 ] - [ 0.0120645400000000, 0.0000000000000000, 0.0044543700000000 ] - [ -0.0002322500000000, 0.0000000000000000, 0.0075382300000000 ] - [ -0.0002270100000000, -0.0000952100000000, 0.0004963700000000 ] - [ -0.0002834200000000, 0.0000000000000000, -0.0000279800000000 ] - [ 0.0033908400000000, -0.0025838200000000, -0.0015308500000000 ] - [ -0.0026515000000000, 0.0000000000000000, 0.0035699500000000 ] - [ -0.0000443200000000, -0.0001731800000000, 0.0001396900000000 ] - [ -0.0000443200000000, 0.0001731800000000, 0.0001396900000000 ] - [ 0.0002219200000000, 0.0000000000000000, -0.0001880600000000 ] - [ -0.0037185700000000, 0.0007241200000000, -0.0027096100000000 ] - [ 0.0033908400000000, 0.0025838200000000, -0.0015308500000000 ] - [ -0.0000980600000000, -0.0000715500000000, 0.0000444500000000 ] - [ -0.0001100500000000, -0.0000110300000000, -0.0000822000000000 ] - [ -0.0000980600000000, 0.0000715500000000, 0.0000444500000000 ] - [ 0.0002169500000000, 0.0000000000000000, 0.0000216600000000 ] - [ 0.0000216300000000, 0.0001224500000000, -0.0000314800000000 ] - [ -0.0002064100000000, 0.0000000000000000, -0.0000192100000000 ] - [ 0.0001095200000000, 0.0000742400000000, -0.0000410400000000 ] - [ -0.0001531900000000, 0.0000000000000000, 0.0001936900000000 ] - [ -0.0001100500000000, 0.0000110300000000, -0.0000822000000000 ] - [ 0.0001663800000000, 0.0000000000000000, -0.0001937300000000 ] - [ -0.0000942300000000, 0.0000000000000000, -0.0001891300000000 ] - [ 0.0000216300000000, -0.0001224500000000, -0.0000314800000000 ] - [ -0.0001878100000000, 0.0000000000000000, 0.0001846100000000 ] - [ 0.0001274500000000, 0.0000104900000000, 0.0000851500000000 ] - [ 0.0001099600000000, 0.0000000000000000, 0.0001908500000000 ] - [ -0.0000123100000000, -0.0001135200000000, 0.0000178000000000 ] - [ -0.0000123100000000, 0.0001135200000000, 0.0000178000000000 ] - [ 0.0002602000000000, 0.0000000000000000, -0.0000324400000000 ] - [ 0.0001095200000000, -0.0000742400000000, -0.0000410400000000 ] - [ 0.0001274500000000, -0.0000104900000000, 0.0000851500000000 ] - [ 0.0007748100000000, 0.0000000000000000, -0.0003786900000000 ] - [ 0.0019320200000000, 0.0000000000000000, -0.0030931900000000 ] - [ -0.1047179800000000, 0.0000000000000000, 0.4410736300000000 ] - [ -0.0071584100000000, 0.0000000000000000, 0.0041927100000000 ] - [ -0.0000134400000000, 0.0000000000000000, 0.0001835100000000 ] - [ 0.0000774400000000, 0.0000000000000000, -0.0001380700000000 ] - [ -0.0000623000000000, 0.0000000000000000, 0.0000537600000000 ] - [ 0.0000914900000000, 0.0000000000000000, -0.0000487800000000 ] - [ -0.0001042600000000, 0.0000000000000000, -0.0001355600000000 ] - [ 0.0001702700000000, 0.0000000000000000, -0.0011164600000000 ] - [ -0.0001478000000000, 0.0000000000000000, 0.0002020900000000 ] - [ 0.0001107500000000, 0.0000000000000000, -0.0001552700000000 ] - [ -0.0004553700000000, 0.0000000000000000, -0.0001805900000000 ] - [ -0.0135305200000000, 0.0435169500000000, -0.0580090500000000 ] - [ 0.0008142300000000, 0.0000000000000000, 0.0026381700000000 ] - [ -0.0000460200000000, 0.0000000000000000, 0.0007033700000000 ] - [ 0.0000130200000000, -0.0002939100000000, 0.0000321100000000 ] - [ -0.0135305200000000, -0.0435169500000000, -0.0580090500000000 ] - [ 0.0001350300000000, 0.0003417700000000, 0.0000799900000000 ] - [ -0.0010954400000000, 0.0000000000000000, 0.0000641900000000 ] - [ -0.0009167500000000, 0.0000000000000000, -0.0044763800000000 ] - [ -0.0008627400000000, -0.0011354900000000, 0.0000854600000000 ] - [ -0.0046772600000000, -0.0040045100000000, 0.0007089500000000 ] - [ 0.0038732300000000, -0.0022623700000000, 0.0013568400000000 ] - [ -0.0008627400000000, 0.0011354900000000, 0.0000854600000000 ] - [ 0.0561835500000000, 0.0000000000000000, -0.2326521700000000 ] - [ -0.0046772600000000, 0.0040045100000000, 0.0007089500000000 ] - [ 0.0615262700000000, 0.0000000000000000, -0.0456585000000000 ] - [ 0.0003485600000000, 0.0000000000000000, 0.0003151800000000 ] - [ 0.0038732300000000, 0.0022623700000000, 0.0013568400000000 ] - [ 0.0016910200000000, 0.0000000000000000, 0.0025858400000000 ] - [ 0.0023714100000000, 0.0000000000000000, -0.0008283200000000 ] - [ -0.0003156600000000, 0.0000000000000000, -0.0001442400000000 ] - [ 0.0002872000000000, -0.0007966500000000, 0.0001502600000000 ] - [ 0.0004939300000000, 0.0000000000000000, -0.0002819900000000 ] - [ -0.0002219800000000, 0.0000000000000000, 0.0003228100000000 ] - [ 0.0001350300000000, -0.0003417700000000, 0.0000799900000000 ] - [ 0.0002872000000000, 0.0007966500000000, 0.0001502600000000 ] - [ 0.0000130200000000, 0.0002939100000000, 0.0000321100000000 ] - [ 0.0002016700000000, 0.0000000000000000, 0.0001330900000000 ] - [ -0.0002142100000000, 0.0000000000000000, 0.0000291800000000 ] - [ 0.0003702300000000, -0.0004922800000000, -0.0000967000000000 ] - [ -0.0004030100000000, -0.0005051200000000, 0.0000866800000000 ] - [ -0.0003075700000000, -0.0007968200000000, -0.0001517000000000 ] - [ 0.0003702300000000, 0.0004922800000000, -0.0000967000000000 ] - [ 0.0001967000000000, 0.0000000000000000, -0.0000347000000000 ] - [ -0.0004030100000000, 0.0005051200000000, 0.0000866800000000 ] - [ -0.0005161600000000, 0.0000000000000000, 0.0002791100000000 ] - [ -0.0003011700000000, 0.0000000000000000, 0.0001949700000000 ] - [ -0.0003075700000000, 0.0007968200000000, -0.0001517000000000 ] - [ 0.0002103400000000, 0.0000000000000000, -0.0003334300000000 ] - [ 0.0003016000000000, 0.0000000000000000, -0.0001930200000000 ]- atom: 49 displacement: [ 0.0099999817982353, 0.0000000000000000, 0.0000190797002540 ] forces: - [ 0.0058685300000000, -0.0048110700000000, 0.0034035200000000 ] - [ 0.0013714800000000, -0.0000614400000000, 0.0001584500000000 ] - [ 0.0058685300000000, 0.0048110700000000, 0.0034035200000000 ] - [ 0.0015473900000000, 0.0000000000000000, 0.0002415900000000 ] - [ 0.0009395900000000, -0.0000719800000000, 0.0002259900000000 ] - [ 0.0010367400000000, 0.0000000000000000, 0.0001627000000000 ] - [ 0.0015312900000000, 0.0000050300000000, 0.0002081500000000 ] - [ 0.0034456200000000, 0.0000000000000000, -0.0009271800000000 ] - [ 0.0013714800000000, 0.0000614400000000, 0.0001584500000000 ] - [ 0.0017898200000000, 0.0000000000000000, 0.0001010200000000 ] - [ 0.0015919000000000, 0.0000000000000000, -0.0000242900000000 ] - [ 0.0009395900000000, 0.0000719800000000, 0.0002259900000000 ] - [ 0.0008669700000000, 0.0000000000000000, 0.0003480600000000 ] - [ 0.0017173400000000, -0.0001449200000000, 0.0003678400000000 ] - [ 0.0015520800000000, 0.0000000000000000, -0.0001548500000000 ] - [ -0.0121178600000000, -0.0036828500000000, -0.0009192400000000 ] - [ -0.0121178600000000, 0.0036828500000000, -0.0009192400000000 ] - [ -0.0083618800000000, 0.0000000000000000, 0.0024788000000000 ] - [ 0.0015312900000000, -0.0000050300000000, 0.0002081500000000 ] - [ 0.0017173400000000, 0.0001449200000000, 0.0003678400000000 ] - [ 0.0013250700000000, -0.0001447000000000, 0.0002940100000000 ] - [ 0.0013593000000000, -0.0000685100000000, 0.0001320900000000 ] - [ 0.0013250700000000, 0.0001447000000000, 0.0002940100000000 ] - [ 0.0015451100000000, 0.0000000000000000, 0.0002311500000000 ] - [ 0.0041109600000000, -0.0021225900000000, 0.0003199100000000 ] - [ 0.0011184500000000, 0.0000000000000000, 0.0001898800000000 ] - [ 0.0015323400000000, -0.0000187200000000, 0.0001594600000000 ] - [ 0.0014767700000000, 0.0000000000000000, 0.0004896000000000 ] - [ 0.0013593000000000, 0.0000685100000000, 0.0001320900000000 ] - [ 0.0017629000000000, 0.0000000000000000, 0.0002844600000000 ] - [ 0.0015680100000000, 0.0000000000000000, 0.0000269200000000 ] - [ 0.0041109600000000, 0.0021225900000000, 0.0003199100000000 ] - [ -0.0040220200000000, 0.0000000000000000, -0.0040575600000000 ] - [ 0.0016020700000000, -0.0000403700000000, 0.0003229400000000 ] - [ 0.0017914000000000, 0.0000000000000000, 0.0003573300000000 ] - [ 0.0009096500000000, -0.0003184500000000, 0.0002841100000000 ] - [ 0.0009096500000000, 0.0003184500000000, 0.0002841100000000 ] - [ 0.0012876900000000, 0.0000000000000000, 0.0000233200000000 ] - [ 0.0015323400000000, 0.0000187200000000, 0.0001594600000000 ] - [ 0.0016020700000000, 0.0000403700000000, 0.0003229400000000 ] - [ -0.0137113200000000, 0.0000000000000000, -0.0050538600000000 ] - [ 0.0030992100000000, 0.0000000000000000, 0.0003697300000000 ] - [ 0.0039125600000000, 0.0000000000000000, 0.0007212900000000 ] - [ 0.0042431600000000, 0.0000000000000000, 0.0005891400000000 ] - [ 0.0029789000000000, 0.0000000000000000, 0.0006692000000000 ] - [ 0.0036254500000000, 0.0000000000000000, 0.0001698400000000 ] - [ 0.0039509500000000, 0.0000000000000000, 0.0007731400000000 ] - [ 0.0040697600000000, 0.0000000000000000, 0.0006177800000000 ] - [ -0.1064034200000000, 0.0000000000000000, -0.0104619100000000 ] - [ 0.0027431800000000, 0.0000000000000000, 0.0001873100000000 ] - [ 0.0025207800000000, 0.0000000000000000, 0.0005050700000000 ] - [ 0.0170303500000000, 0.0000000000000000, -0.0109768000000000 ] - [ 0.0147842900000000, 0.0000000000000000, 0.0064389300000000 ] - [ -0.0020741200000000, -0.0004778800000000, -0.0003868700000000 ] - [ -0.0026519200000000, 0.0000000000000000, -0.0005121400000000 ] - [ 0.0079508300000000, 0.0000000000000000, 0.0006595300000000 ] - [ 0.0273023000000000, -0.0162340400000000, -0.0117445800000000 ] - [ -0.0020741200000000, 0.0004778800000000, -0.0003868700000000 ] - [ -0.0019878300000000, 0.0002814400000000, 0.0005184200000000 ] - [ -0.0019014900000000, 0.0000000000000000, -0.0005611100000000 ] - [ -0.0023392600000000, 0.0000000000000000, -0.0002313100000000 ] - [ 0.0026681000000000, -0.0043040600000000, 0.0014079200000000 ] - [ -0.0027689100000000, -0.0007209700000000, -0.0001762300000000 ] - [ -0.0027865700000000, -0.0007842600000000, -0.0007377100000000 ] - [ 0.0026681000000000, 0.0043040600000000, 0.0014079200000000 ] - [ -0.0018769600000000, 0.0000000000000000, -0.0003398000000000 ] - [ -0.0027689100000000, 0.0007209700000000, -0.0001762300000000 ] - [ -0.0036424800000000, 0.0000000000000000, 0.0000259200000000 ] - [ 0.0356129600000000, 0.0000000000000000, 0.0344594000000000 ] - [ -0.0027865700000000, 0.0007842600000000, -0.0007377100000000 ] - [ -0.0015263900000000, 0.0000000000000000, -0.0004532700000000 ] - [ -0.0021876800000000, 0.0000000000000000, -0.0016204000000000 ] - [ -0.0023608100000000, 0.0000000000000000, -0.0008257800000000 ] - [ -0.0021171100000000, -0.0004863700000000, -0.0004108200000000 ] - [ -0.0026357500000000, 0.0000000000000000, -0.0005299900000000 ] - [ -0.0019399800000000, 0.0000000000000000, 0.0002005400000000 ] - [ -0.0019878300000000, -0.0002814400000000, 0.0005184200000000 ] - [ -0.0021171100000000, 0.0004863700000000, -0.0004108200000000 ] - [ 0.0273023000000000, 0.0162340400000000, -0.0117445800000000 ] - [ -0.0003876500000000, 0.0000000000000000, -0.0012722900000000 ] - [ -0.0022937600000000, 0.0000000000000000, -0.0002567900000000 ] - [ -0.0019683100000000, -0.0002897100000000, -0.0003492500000000 ] - [ -0.0025959500000000, -0.0008734100000000, -0.0000696400000000 ] - [ -0.0026680900000000, -0.0011282100000000, -0.0006993400000000 ] - [ -0.0019683100000000, 0.0002897100000000, -0.0003492500000000 ] - [ -0.0018520800000000, 0.0000000000000000, -0.0003452900000000 ] - [ -0.0025959500000000, 0.0008734100000000, -0.0000696400000000 ] - [ -0.0036976100000000, 0.0000000000000000, 0.0000317500000000 ] - [ -0.0027832400000000, 0.0000000000000000, -0.0012403600000000 ] - [ -0.0026680900000000, 0.0011282100000000, -0.0006993400000000 ] - [ -0.0019087500000000, 0.0000000000000000, -0.0001769700000000 ] - [ -0.0027252600000000, 0.0000000000000000, 0.0040503100000000 ]- atom: 49 displacement: [ -0.0099999817982353, 0.0000000000000000, -0.0000190797002540 ] forces: - [ -0.0060074700000000, 0.0045930100000000, -0.0032505000000000 ] - [ -0.0015979100000000, 0.0000391700000000, -0.0003217100000000 ] - [ -0.0060074700000000, -0.0045930100000000, -0.0032505000000000 ] - [ -0.0011206700000000, 0.0000000000000000, -0.0001987700000000 ] - [ -0.0009041700000000, 0.0003167700000000, -0.0002856300000000 ] - [ -0.0014501400000000, 0.0000000000000000, -0.0002043700000000 ] - [ -0.0013230200000000, 0.0001441800000000, -0.0002930200000000 ] - [ -0.0037283600000000, 0.0000000000000000, 0.0012769800000000 ] - [ -0.0015979100000000, -0.0000391700000000, -0.0003217100000000 ] - [ -0.0014687000000000, 0.0000000000000000, -0.0004910500000000 ] - [ -0.0017866900000000, 0.0000000000000000, -0.0003556800000000 ] - [ -0.0009041700000000, -0.0003167700000000, -0.0002856300000000 ] - [ -0.0012830700000000, 0.0000000000000000, -0.0000237500000000 ] - [ -0.0014770500000000, 0.0001647500000000, -0.0002024300000000 ] - [ -0.0013449500000000, 0.0000000000000000, 0.0005295900000000 ] - [ 0.0120197200000000, 0.0034784600000000, 0.0009245300000000 ] - [ 0.0120197200000000, -0.0034784600000000, 0.0009245300000000 ] - [ 0.0088197500000000, 0.0000000000000000, -0.0028075200000000 ] - [ -0.0013230200000000, -0.0001441800000000, -0.0002930200000000 ] - [ -0.0014770500000000, -0.0001647500000000, -0.0002024300000000 ] - [ -0.0015227300000000, -0.0000049700000000, -0.0002071500000000 ] - [ -0.0015823200000000, 0.0000463500000000, -0.0002941000000000 ] - [ -0.0015227300000000, 0.0000049700000000, -0.0002071500000000 ] - [ -0.0011205900000000, 0.0000000000000000, -0.0001850600000000 ] - [ -0.0041202100000000, 0.0024021500000000, -0.0003797800000000 ] - [ -0.0015318400000000, 0.0000000000000000, -0.0002317500000000 ] - [ -0.0013211300000000, 0.0001678700000000, -0.0002436800000000 ] - [ -0.0017847900000000, 0.0000000000000000, -0.0000974400000000 ] - [ -0.0015823200000000, -0.0000463500000000, -0.0002941000000000 ] - [ -0.0014466900000000, 0.0000000000000000, -0.0006769400000000 ] - [ -0.0017617900000000, 0.0000000000000000, -0.0004072400000000 ] - [ -0.0041202100000000, -0.0024021500000000, -0.0003797800000000 ] - [ 0.0035946100000000, 0.0000000000000000, 0.0043889200000000 ] - [ -0.0013660000000000, 0.0000621000000000, -0.0001585600000000 ] - [ -0.0015831800000000, 0.0000000000000000, 0.0000233500000000 ] - [ -0.0009377600000000, 0.0000726000000000, -0.0002222600000000 ] - [ -0.0009377600000000, -0.0000726000000000, -0.0002222600000000 ] - [ -0.0008620600000000, 0.0000000000000000, -0.0003457500000000 ] - [ -0.0013211300000000, -0.0001678700000000, -0.0002436800000000 ] - [ -0.0013660000000000, -0.0000621000000000, -0.0001585600000000 ] - [ 0.0134423100000000, 0.0000000000000000, 0.0053250100000000 ] - [ -0.0029731900000000, 0.0000000000000000, -0.0006656000000000 ] - [ -0.0040488900000000, 0.0000000000000000, -0.0006162200000000 ] - [ -0.0040738100000000, 0.0000000000000000, -0.0006906200000000 ] - [ -0.0030808700000000, 0.0000000000000000, -0.0003690200000000 ] - [ -0.0035050200000000, 0.0000000000000000, -0.0004729900000000 ] - [ -0.0040880500000000, 0.0000000000000000, -0.0006687100000000 ] - [ -0.0039020500000000, 0.0000000000000000, -0.0007195300000000 ] - [ 0.1064598800000000, 0.0000000000000000, 0.0084720000000000 ] - [ -0.0025157900000000, 0.0000000000000000, -0.0005019600000000 ] - [ -0.0027269800000000, 0.0000000000000000, -0.0001881500000000 ] - [ -0.0169797100000000, 0.0000000000000000, 0.0108576000000000 ] - [ -0.0151580600000000, 0.0000000000000000, -0.0066994500000000 ] - [ 0.0026575100000000, -0.0011139100000000, 0.0006896800000000 ] - [ 0.0036496200000000, 0.0000000000000000, -0.0000532200000000 ] - [ -0.0083036800000000, 0.0000000000000000, 0.0000028900000000 ] - [ -0.0276927700000000, 0.0163446700000000, 0.0122961300000000 ] - [ 0.0026575100000000, 0.0011139100000000, 0.0006896800000000 ] - [ 0.0019821300000000, 0.0002875300000000, -0.0005157900000000 ] - [ 0.0023579300000000, 0.0000000000000000, 0.0008268700000000 ] - [ 0.0019196200000000, 0.0000000000000000, 0.0002966600000000 ] - [ -0.0018026700000000, 0.0032849900000000, -0.0015639800000000 ] - [ 0.0019662700000000, -0.0002889300000000, 0.0003515400000000 ] - [ 0.0021881600000000, -0.0008096500000000, 0.0004269500000000 ] - [ -0.0018026700000000, -0.0032849900000000, -0.0015639800000000 ] - [ 0.0022791500000000, 0.0000000000000000, 0.0002740000000000 ] - [ 0.0019662700000000, 0.0002889300000000, 0.0003515400000000 ] - [ 0.0026194800000000, 0.0000000000000000, 0.0005386700000000 ] - [ -0.0356842200000000, 0.0000000000000000, -0.0329587700000000 ] - [ 0.0021881600000000, 0.0008096500000000, 0.0004269500000000 ] - [ 0.0019428000000000, 0.0000000000000000, -0.0002049300000000 ] - [ 0.0027830000000000, 0.0000000000000000, 0.0012299400000000 ] - [ 0.0018897000000000, 0.0000000000000000, 0.0005540100000000 ] - [ 0.0026989200000000, -0.0011055000000000, 0.0007137100000000 ] - [ 0.0036352400000000, 0.0000000000000000, -0.0000366100000000 ] - [ 0.0015102800000000, 0.0000000000000000, 0.0004571300000000 ] - [ 0.0019821300000000, -0.0002875300000000, -0.0005157900000000 ] - [ 0.0026989200000000, 0.0011055000000000, 0.0007137100000000 ] - [ -0.0276927700000000, -0.0163446700000000, 0.0122961300000000 ] - [ 0.0008455000000000, 0.0000000000000000, 0.0015501300000000 ] - [ 0.0018757400000000, 0.0000000000000000, 0.0003208500000000 ] - [ 0.0027522700000000, -0.0007182900000000, 0.0001710600000000 ] - [ 0.0017948800000000, -0.0001303100000000, 0.0002448600000000 ] - [ 0.0020692200000000, -0.0004648200000000, 0.0003926200000000 ] - [ 0.0027522700000000, 0.0007182900000000, 0.0001710600000000 ] - [ 0.0022540200000000, 0.0000000000000000, 0.0002808700000000 ] - [ 0.0017948800000000, 0.0001303100000000, 0.0002448600000000 ] - [ 0.0026756900000000, 0.0000000000000000, 0.0005315300000000 ] - [ 0.0021682300000000, 0.0000000000000000, 0.0016218800000000 ] - [ 0.0020692200000000, 0.0004648200000000, 0.0003926200000000 ] - [ 0.0023227000000000, 0.0000000000000000, -0.0004828700000000 ] - [ 0.0033208600000000, 0.0000000000000000, -0.0045498500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0034630600000000, 0.0006580700000000, -0.0020290500000000 ] - [ -0.0001363900000000, -0.0000157400000000, -0.0000924900000000 ] - [ 0.0032734000000000, 0.0007351400000000, 0.0021228500000000 ] - [ 0.0002092000000000, -0.0000065000000000, 0.0000206500000000 ] - [ 0.0000180200000000, 0.0001214700000000, -0.0000316200000000 ] - [ -0.0002093500000000, 0.0000601100000000, -0.0000201400000000 ] - [ 0.0001018000000000, 0.0000777200000000, -0.0000420200000000 ] - [ -0.0001825700000000, -0.0007667500000000, 0.0001893200000000 ] - [ -0.0001234900000000, 0.0000108900000000, -0.0000824000000000 ] - [ 0.0001573600000000, 0.0000022900000000, -0.0001954500000000 ] - [ -0.0001031100000000, 0.0000017200000000, -0.0001895200000000 ] - [ 0.0000174800000000, -0.0001206000000000, -0.0000297400000000 ] - [ -0.0002095400000000, 0.0000002600000000, 0.0001610600000000 ] - [ -0.0002766200000000, -0.0000601900000000, -0.0000991200000000 ] - [ 0.0001082000000000, 0.0005283700000000, 0.0001937300000000 ] - [ -0.0040467700000000, 0.0059077600000000, -0.0099192600000000 ] - [ 0.0040428000000000, 0.0060793400000000, 0.0100870800000000 ] - [ 0.0001353800000000, 0.0193205900000000, -0.0001660100000000 ] - [ 0.0001000000000000, -0.0000760800000000, -0.0000418300000000 ] - [ 0.0005093900000000, -0.0000839200000000, 0.0002656000000000 ] - [ -0.0001014700000000, -0.0000775400000000, 0.0000416000000000 ] - [ -0.0000729800000000, -0.0000025600000000, -0.0000697300000000 ] - [ -0.0000993100000000, 0.0000759600000000, 0.0000428600000000 ] - [ 0.0002095400000000, -0.0000189500000000, 0.0000204600000000 ] - [ -0.0038751300000000, 0.0013047900000000, -0.0016665100000000 ] - [ -0.0002102600000000, 0.0000005400000000, -0.0000205800000000 ] - [ 0.0000170000000000, 0.0000814600000000, 0.0000663700000000 ] - [ -0.0001574600000000, -0.0000027100000000, 0.0001957900000000 ] - [ -0.0001868100000000, 0.0000255200000000, -0.0001041000000000 ] - [ 0.0001559500000000, 0.0001786900000000, -0.0001952600000000 ] - [ -0.0001032600000000, -0.0000984600000000, -0.0001888800000000 ] - [ 0.0038975400000000, 0.0010648100000000, 0.0016147900000000 ] - [ -0.0002290400000000, 0.0055475200000000, 0.0001459800000000 ] - [ 0.0001307300000000, 0.0000155900000000, 0.0000918600000000 ] - [ 0.0001024100000000, -0.0000008900000000, 0.0001894300000000 ] - [ -0.0000169900000000, -0.0001214700000000, 0.0000342700000000 ] - [ -0.0000203200000000, 0.0001205000000000, 0.0000278100000000 ] - [ 0.0002107500000000, -0.0000022400000000, -0.0001612400000000 ] - [ 0.0001865800000000, -0.0000744300000000, -0.0001498300000000 ] - [ 0.0001126600000000, -0.0000081900000000, 0.0000791600000000 ] - [ 0.0000818500000000, 0.0121343800000000, 0.0001034400000000 ] - [ 0.0000567500000000, 0.0000035600000000, -0.0001471900000000 ] - [ -0.0000774000000000, -0.0000168000000000, 0.0000506400000000 ] - [ 0.0000721300000000, -0.0002998600000000, -0.0000517900000000 ] - [ -0.0000591800000000, -0.0000063500000000, 0.0001463900000000 ] - [ 0.0000573000000000, -0.0010694900000000, -0.0001586800000000 ] - [ -0.0000795300000000, 0.0000972600000000, 0.0000497300000000 ] - [ 0.0000757600000000, 0.0000053200000000, -0.0000517000000000 ] - [ 0.0007271900000000, -0.0735929900000000, -0.0005178300000000 ] - [ 0.0001051000000000, 0.0000015900000000, -0.0001581600000000 ] - [ -0.0001056700000000, -0.0000034200000000, 0.0001585800000000 ] - [ 0.0001653700000000, -0.0167328800000000, -0.0001543400000000 ] - [ -0.0002422000000000, -0.0054805600000000, -0.0001279300000000 ] - [ 0.0003130100000000, -0.0008008600000000, 0.0001566000000000 ] - [ 0.0005126900000000, 0.0000370100000000, -0.0002824300000000 ] - [ -0.0002691700000000, -0.0083405800000000, 0.0003276900000000 ] - [ -0.0090688500000000, 0.0237058600000000, 0.0107191400000000 ] - [ 0.0002923200000000, 0.0007972600000000, 0.0001553100000000 ] - [ 0.0000102700000000, 0.0002793400000000, 0.0000075800000000 ] - [ 0.0002252900000000, -0.0000044000000000, 0.0001330000000000 ] - [ -0.0002066400000000, 0.0002504400000000, 0.0000355400000000 ] - [ -0.0004388900000000, -0.0022215400000000, 0.0006979700000000 ] - [ -0.0003987200000000, -0.0005044000000000, 0.0000872500000000 ] - [ -0.0001336700000000, -0.0006873300000000, -0.0000292800000000 ] - [ 0.0012009800000000, -0.0012956400000000, -0.0008565200000000 ] - [ 0.0002094300000000, -0.0000010600000000, -0.0000324400000000 ] - [ -0.0003901700000000, 0.0005001600000000, 0.0000852400000000 ] - [ -0.0005105500000000, -0.0001576300000000, 0.0002845800000000 ] - [ -0.0003667400000000, 0.0093069200000000, 0.0001099700000000 ] - [ -0.0004565700000000, 0.0009281100000000, -0.0002834100000000 ] - [ 0.0002106800000000, -0.0000038200000000, -0.0003287700000000 ] - [ 0.0002996400000000, 0.0000071200000000, -0.0001913000000000 ] - [ -0.0002218100000000, 0.0000114100000000, -0.0001321600000000 ] - [ 0.0003702700000000, -0.0008259400000000, 0.0001658200000000 ] - [ 0.0005137100000000, 0.0000248200000000, -0.0002832500000000 ] - [ -0.0002074500000000, 0.0000139200000000, 0.0003287000000000 ] - [ -0.0000086600000000, -0.0002810300000000, -0.0000052400000000 ] - [ 0.0002349000000000, 0.0007740100000000, 0.0001461200000000 ] - [ 0.0082969700000000, 0.0235527200000000, -0.0100563600000000 ] - [ 0.0002379700000000, -0.0018648500000000, 0.0001479500000000 ] - [ -0.0002069600000000, -0.0000014900000000, 0.0000344700000000 ] - [ 0.0003939800000000, -0.0004986800000000, -0.0000846800000000 ] - [ -0.0009153800000000, -0.0002099800000000, 0.0002108100000000 ] - [ -0.0002999700000000, -0.0007993700000000, -0.0001571500000000 ] - [ 0.0003965400000000, 0.0005052400000000, -0.0000877600000000 ] - [ 0.0002107200000000, -0.0000432500000000, -0.0000301500000000 ] - [ 0.0001297100000000, 0.0007953900000000, -0.0000361000000000 ] - [ -0.0005087100000000, -0.0000115200000000, 0.0002829200000000 ] - [ -0.0002964200000000, -0.0000180400000000, 0.0001929400000000 ] - [ -0.0003005400000000, 0.0007972300000000, -0.0001548800000000 ] - [ 0.0001987300000000, -0.0012398000000000, -0.0003270300000000 ] - [ 0.0002983300000000, 0.0021025900000000, -0.0001877100000000 ]- atom: 49 displacement: [ -0.0016676867133328, 0.0000000000000000, 0.0098599604982055 ] forces: - [ 0.0032131700000000, -0.0026859000000000, -0.0021309600000000 ] - [ -0.0001222000000000, -0.0000372600000000, -0.0001152600000000 ] - [ 0.0032131700000000, 0.0026859000000000, -0.0021309600000000 ] - [ 0.0001765900000000, 0.0000000000000000, -0.0000621400000000 ] - [ -0.0000172300000000, 0.0001309900000000, -0.0000379700000000 ] - [ -0.0001865800000000, 0.0000000000000000, -0.0001867500000000 ] - [ 0.0000388000000000, 0.0000774500000000, -0.0000582200000000 ] - [ -0.0031803300000000, 0.0000000000000000, 0.0053782100000000 ] - [ -0.0001222000000000, 0.0000372600000000, -0.0001152600000000 ] - [ 0.0000981100000000, 0.0000000000000000, -0.0002011200000000 ] - [ -0.0001541900000000, 0.0000000000000000, -0.0001524400000000 ] - [ -0.0000172300000000, -0.0001309900000000, -0.0000379700000000 ] - [ -0.0002519400000000, 0.0000000000000000, 0.0001497500000000 ] - [ -0.0006151400000000, -0.0003661000000000, -0.0005705100000000 ] - [ -0.0007677200000000, 0.0000000000000000, 0.0014659100000000 ] - [ 0.0011575600000000, -0.0107710100000000, 0.0158825900000000 ] - [ 0.0011575600000000, 0.0107710100000000, 0.0158825900000000 ] - [ 0.0040002100000000, 0.0000000000000000, -0.0065260000000000 ] - [ 0.0000388000000000, -0.0000774500000000, -0.0000582200000000 ] - [ -0.0006151400000000, 0.0003661000000000, -0.0005705100000000 ] - [ -0.0001535300000000, -0.0000720200000000, 0.0000328700000000 ] - [ -0.0001756000000000, -0.0000256300000000, -0.0000727000000000 ] - [ -0.0001535300000000, 0.0000720200000000, 0.0000328700000000 ] - [ 0.0001390800000000, 0.0000000000000000, 0.0000100000000000 ] - [ -0.0012577600000000, -0.0004424000000000, -0.0019548700000000 ] - [ -0.0002608300000000, 0.0000000000000000, -0.0000234400000000 ] - [ -0.0000205000000000, -0.0003280200000000, -0.0001284000000000 ] - [ -0.0002196200000000, 0.0000000000000000, 0.0001851100000000 ] - [ -0.0001756000000000, 0.0000256300000000, -0.0000727000000000 ] - [ 0.0003154600000000, 0.0000000000000000, -0.0000322300000000 ] - [ -0.0002315900000000, 0.0000000000000000, -0.0003088000000000 ] - [ -0.0012577600000000, 0.0004424000000000, -0.0019548700000000 ] - [ 0.0006868000000000, 0.0000000000000000, 0.0051622400000000 ] - [ 0.0000668100000000, 0.0000139600000000, 0.0000757700000000 ] - [ 0.0000395100000000, 0.0000000000000000, 0.0001826100000000 ] - [ -0.0000530900000000, -0.0001159200000000, 0.0000204800000000 ] - [ -0.0000530900000000, 0.0001159200000000, 0.0000204800000000 ] - [ 0.0001710400000000, 0.0000000000000000, -0.0001655200000000 ] - [ -0.0000205000000000, 0.0003280200000000, -0.0001284000000000 ] - [ 0.0000668100000000, -0.0000139600000000, 0.0000757700000000 ] - [ -0.0040922400000000, 0.0000000000000000, -0.0106030800000000 ] - [ -0.0000515400000000, 0.0000000000000000, -0.0001755200000000 ] - [ -0.0006353400000000, 0.0000000000000000, 0.0002475400000000 ] - [ 0.0009900700000000, 0.0000000000000000, 0.0010670800000000 ] - [ -0.0001690200000000, 0.0000000000000000, 0.0001276000000000 ] - [ -0.0005862600000000, 0.0000000000000000, 0.0016463000000000 ] - [ -0.0001986300000000, 0.0000000000000000, -0.0000215000000000 ] - [ -0.0000778800000000, 0.0000000000000000, -0.0000771800000000 ] - [ 0.0085408400000000, 0.0000000000000000, -0.1387754900000000 ] - [ 0.0000072200000000, 0.0000000000000000, -0.0001749600000000 ] - [ -0.0002064800000000, 0.0000000000000000, 0.0001443600000000 ] - [ -0.0136615100000000, 0.0000000000000000, 0.0247907000000000 ] - [ 0.0024777700000000, 0.0000000000000000, -0.0030231700000000 ] - [ 0.0005024800000000, -0.0008862300000000, 0.0001801500000000 ] - [ 0.0003559300000000, 0.0000000000000000, -0.0004057900000000 ] - [ -0.0027557700000000, 0.0000000000000000, 0.0049323100000000 ] - [ -0.0136078000000000, 0.0188091700000000, 0.0223890000000000 ] - [ 0.0005024800000000, 0.0008862300000000, 0.0001801500000000 ] - [ 0.0000753100000000, 0.0002917100000000, -0.0000197300000000 ] - [ 0.0003071200000000, 0.0000000000000000, 0.0001634100000000 ] - [ 0.0002702200000000, 0.0000000000000000, -0.0004363200000000 ] - [ 0.0040404100000000, 0.0003747500000000, 0.0008974200000000 ] - [ -0.0003125400000000, -0.0004909400000000, 0.0001023900000000 ] - [ -0.0014443800000000, -0.0000042200000000, -0.0001835900000000 ] - [ 0.0040404100000000, -0.0003747500000000, 0.0008974200000000 ] - [ 0.0002567500000000, 0.0000000000000000, -0.0001553500000000 ] - [ -0.0003125400000000, 0.0004909400000000, 0.0001023900000000 ] - [ 0.0004680200000000, 0.0000000000000000, 0.0004392100000000 ] - [ 0.0223295700000000, 0.0000000000000000, 0.0503463300000000 ] - [ -0.0014443800000000, 0.0000042200000000, -0.0001835900000000 ] - [ 0.0002912200000000, 0.0000000000000000, -0.0003202600000000 ] - [ 0.0004136600000000, 0.0000000000000000, -0.0001404500000000 ] - [ -0.0001468100000000, 0.0000000000000000, -0.0001102100000000 ] - [ 0.0004132500000000, -0.0008957800000000, 0.0002047300000000 ] - [ 0.0006241800000000, 0.0000000000000000, -0.0002707000000000 ] - [ -0.0001542100000000, 0.0000000000000000, 0.0003350500000000 ] - [ 0.0000753100000000, -0.0002917100000000, -0.0000197300000000 ] - [ 0.0004132500000000, 0.0008957800000000, 0.0002047300000000 ] - [ -0.0136078000000000, -0.0188091700000000, 0.0223890000000000 ] - [ -0.0008318700000000, 0.0000000000000000, 0.0005842300000000 ] - [ -0.0001252400000000, 0.0000000000000000, 0.0000385300000000 ] - [ 0.0004766500000000, -0.0005101500000000, -0.0000814400000000 ] - [ -0.0003332300000000, -0.0001675400000000, -0.0002939300000000 ] - [ -0.0002105800000000, -0.0007804800000000, -0.0001302100000000 ] - [ 0.0004766500000000, 0.0005101500000000, -0.0000814400000000 ] - [ 0.0002539900000000, 0.0000000000000000, -0.0000088400000000 ] - [ -0.0003332300000000, 0.0001675400000000, -0.0002939300000000 ] - [ -0.0003673100000000, 0.0000000000000000, 0.0002976800000000 ] - [ -0.0002170200000000, 0.0000000000000000, 0.0002493700000000 ] - [ -0.0002105800000000, 0.0007804800000000, -0.0001302100000000 ] - [ 0.0023463300000000, 0.0000000000000000, -0.0007579700000000 ] - [ 0.0006485100000000, 0.0000000000000000, -0.0028435700000000 ]- atom: 49 displacement: [ 0.0016676867133328, 0.0000000000000000, -0.0098599604982055 ] forces: - [ -0.0034552700000000, 0.0025493600000000, 0.0021932400000000 ] - [ -0.0001099200000000, 0.0000157100000000, -0.0000483800000000 ] - [ -0.0034552700000000, -0.0025493600000000, 0.0021932400000000 ] - [ 0.0002432000000000, 0.0000000000000000, 0.0001035300000000 ] - [ 0.0000497800000000, 0.0001156300000000, -0.0000230800000000 ] - [ -0.0002365800000000, 0.0000000000000000, 0.0001478500000000 ] - [ 0.0001630100000000, 0.0000708800000000, -0.0000272400000000 ] - [ 0.0028957100000000, 0.0000000000000000, -0.0049871200000000 ] - [ -0.0001099200000000, -0.0000157100000000, -0.0000483800000000 ] - [ 0.0002163000000000, 0.0000000000000000, -0.0001911800000000 ] - [ -0.0000518800000000, 0.0000000000000000, -0.0002286600000000 ] - [ 0.0000497800000000, -0.0001156300000000, -0.0000230800000000 ] - [ -0.0001705100000000, 0.0000000000000000, 0.0001680100000000 ] - [ 0.0008454100000000, 0.0003893200000000, 0.0007338500000000 ] - [ 0.0009700500000000, 0.0000000000000000, -0.0010928300000000 ] - [ -0.0010973400000000, 0.0103177200000000, -0.0157895700000000 ] - [ -0.0010973400000000, -0.0103177200000000, -0.0157895700000000 ] - [ -0.0035460500000000, 0.0000000000000000, 0.0062270800000000 ] - [ 0.0001630100000000, -0.0000708800000000, -0.0000272400000000 ] - [ 0.0008454100000000, -0.0003893200000000, 0.0007338500000000 ] - [ -0.0000528800000000, -0.0000756700000000, 0.0000510700000000 ] - [ -0.0000611900000000, 0.0000030400000000, -0.0000948200000000 ] - [ -0.0000528800000000, 0.0000756700000000, 0.0000510700000000 ] - [ 0.0002823300000000, 0.0000000000000000, 0.0000319000000000 ] - [ 0.0013265900000000, 0.0006826200000000, 0.0018997900000000 ] - [ -0.0001644500000000, 0.0000000000000000, -0.0000171000000000 ] - [ 0.0002239600000000, 0.0004833800000000, 0.0000443100000000 ] - [ -0.0001008200000000, 0.0000000000000000, 0.0002044300000000 ] - [ -0.0000611900000000, -0.0000030400000000, -0.0000948200000000 ] - [ -0.0000062200000000, 0.0000000000000000, -0.0003626500000000 ] - [ 0.0000267700000000, 0.0000000000000000, -0.0000693000000000 ] - [ 0.0013265900000000, -0.0006826200000000, 0.0018997900000000 ] - [ -0.0011187000000000, 0.0000000000000000, -0.0048581000000000 ] - [ 0.0001761500000000, 0.0000091300000000, 0.0000921600000000 ] - [ 0.0001622000000000, 0.0000000000000000, 0.0001974300000000 ] - [ 0.0000185500000000, -0.0001257400000000, 0.0000413100000000 ] - [ 0.0000185500000000, 0.0001257400000000, 0.0000413100000000 ] - [ 0.0002496800000000, 0.0000000000000000, -0.0001544900000000 ] - [ 0.0002239600000000, -0.0004833800000000, 0.0000443100000000 ] - [ 0.0001761500000000, -0.0000091300000000, 0.0000921600000000 ] - [ 0.0039606800000000, 0.0000000000000000, 0.0110119400000000 ] - [ 0.0001575200000000, 0.0000000000000000, -0.0001214900000000 ] - [ 0.0004758500000000, 0.0000000000000000, -0.0001495300000000 ] - [ -0.0008422000000000, 0.0000000000000000, -0.0011702900000000 ] - [ 0.0000539600000000, 0.0000000000000000, 0.0001671600000000 ] - [ 0.0007314000000000, 0.0000000000000000, -0.0019483300000000 ] - [ 0.0000319200000000, 0.0000000000000000, 0.0001213400000000 ] - [ 0.0002241100000000, 0.0000000000000000, -0.0000237400000000 ] - [ -0.0087981500000000, 0.0000000000000000, 0.1360972600000000 ] - [ 0.0002060000000000, 0.0000000000000000, -0.0001416100000000 ] - [ -0.0000134200000000, 0.0000000000000000, 0.0001702200000000 ] - [ 0.0136376800000000, 0.0000000000000000, -0.0251834000000000 ] - [ -0.0029488500000000, 0.0000000000000000, 0.0026931100000000 ] - [ 0.0000934800000000, -0.0007087300000000, 0.0001243100000000 ] - [ 0.0006548200000000, 0.0000000000000000, -0.0001577000000000 ] - [ 0.0023411500000000, 0.0000000000000000, -0.0042519400000000 ] - [ 0.0129397400000000, -0.0186879900000000, -0.0218629700000000 ] - [ 0.0000934800000000, 0.0007087300000000, 0.0001243100000000 ] - [ -0.0000754500000000, 0.0002889100000000, 0.0000167500000000 ] - [ 0.0001561500000000, 0.0000000000000000, 0.0001107500000000 ] - [ -0.0006750000000000, 0.0000000000000000, 0.0004989000000000 ] - [ -0.0032655400000000, -0.0013776300000000, -0.0011028100000000 ] - [ -0.0004651500000000, -0.0005172100000000, 0.0000788000000000 ] - [ 0.0008582700000000, -0.0015906500000000, -0.0001236500000000 ] - [ -0.0032655400000000, 0.0013776300000000, -0.0011028100000000 ] - [ 0.0001557300000000, 0.0000000000000000, 0.0000948300000000 ] - [ -0.0004651500000000, 0.0005172100000000, 0.0000788000000000 ] - [ -0.0014727900000000, 0.0000000000000000, 0.0001257900000000 ] - [ -0.0215436200000000, 0.0000000000000000, -0.0480177400000000 ] - [ 0.0008582700000000, 0.0015906500000000, -0.0001236500000000 ] - [ 0.0001491700000000, 0.0000000000000000, -0.0003443300000000 ] - [ 0.0002077100000000, 0.0000000000000000, -0.0002468200000000 ] - [ -0.0003085000000000, 0.0000000000000000, -0.0001563700000000 ] - [ 0.0001834100000000, -0.0007008200000000, 0.0001028700000000 ] - [ 0.0003924800000000, 0.0000000000000000, -0.0002942500000000 ] - [ -0.0002758900000000, 0.0000000000000000, 0.0003231100000000 ] - [ -0.0000754500000000, -0.0002889100000000, 0.0000167500000000 ] - [ 0.0001834100000000, 0.0007008200000000, 0.0001028700000000 ] - [ 0.0129397400000000, 0.0186879900000000, -0.0218629700000000 ] - [ 0.0012712400000000, 0.0000000000000000, -0.0003163400000000 ] - [ -0.0002799800000000, 0.0000000000000000, 0.0000179600000000 ] - [ 0.0003059100000000, -0.0004963700000000, -0.0000980200000000 ] - [ -0.0004510400000000, -0.0008506300000000, 0.0004755700000000 ] - [ -0.0003801100000000, -0.0008098800000000, -0.0001709800000000 ] - [ 0.0003059100000000, 0.0004963700000000, -0.0000980200000000 ] - [ 0.0001603700000000, 0.0000000000000000, -0.0000546000000000 ] - [ -0.0004510400000000, 0.0008506300000000, 0.0004755700000000 ] - [ -0.0006291500000000, 0.0000000000000000, 0.0002650100000000 ] - [ -0.0003936100000000, 0.0000000000000000, 0.0001391600000000 ] - [ -0.0003801100000000, 0.0008098800000000, -0.0001709800000000 ] - [ -0.0019367800000000, 0.0000000000000000, 0.0000922300000000 ] - [ -0.0000417900000000, 0.0000000000000000, 0.0025058900000000 ]- atom: 53 displacement: [ 0.0099999817982353, 0.0000000000000000, 0.0000190797002540 ] forces: - [ 0.0026230100000000, -0.0020278000000000, -0.0016352500000000 ] - [ -0.0012722200000000, 0.0000153700000000, -0.0002991900000000 ] - [ 0.0026230100000000, 0.0020278000000000, -0.0016352500000000 ] - [ -0.0009121100000000, 0.0000000000000000, -0.0002693400000000 ] - [ -0.0007313300000000, 0.0002790400000000, -0.0002362800000000 ] - [ -0.0011274800000000, 0.0000000000000000, -0.0003351000000000 ] - [ -0.0010574800000000, 0.0001293400000000, -0.0002504700000000 ] - [ 0.0026452100000000, 0.0000000000000000, 0.0039631700000000 ] - [ -0.0012722200000000, -0.0000153700000000, -0.0002991900000000 ] - [ -0.0011547600000000, 0.0000000000000000, -0.0004264100000000 ] - [ -0.0014738900000000, 0.0000000000000000, -0.0002868600000000 ] - [ -0.0007313300000000, -0.0002790400000000, -0.0002362800000000 ] - [ -0.0010800300000000, 0.0000000000000000, 0.0000074900000000 ] - [ -0.0020313800000000, 0.0002485400000000, -0.0006991300000000 ] - [ -0.0016356800000000, 0.0000000000000000, 0.0013205300000000 ] - [ 0.0122256700000000, 0.0001603900000000, -0.0007992700000000 ] - [ 0.0122256700000000, -0.0001603900000000, -0.0007992700000000 ] - [ 0.0142462400000000, 0.0000000000000000, -0.0033333500000000 ] - [ -0.0010574800000000, -0.0001293400000000, -0.0002504700000000 ] - [ -0.0020313800000000, -0.0002485400000000, -0.0006991300000000 ] - [ -0.0012590200000000, -0.0000170500000000, -0.0001615100000000 ] - [ -0.0013772300000000, 0.0000267200000000, -0.0003155100000000 ] - [ -0.0012590200000000, 0.0000170500000000, -0.0001615100000000 ] - [ -0.0008646100000000, 0.0000000000000000, -0.0001654000000000 ] - [ -0.0008052100000000, -0.0010885600000000, 0.0008848800000000 ] - [ -0.0012861300000000, 0.0000000000000000, -0.0002019100000000 ] - [ -0.0007576300000000, -0.0002879000000000, -0.0003735100000000 ] - [ -0.0014799800000000, 0.0000000000000000, -0.0000433100000000 ] - [ -0.0013772300000000, -0.0000267200000000, -0.0003155100000000 ] - [ -0.0007631400000000, 0.0000000000000000, -0.0000530100000000 ] - [ -0.0015828800000000, 0.0000000000000000, -0.0002952500000000 ] - [ -0.0008052100000000, 0.0010885600000000, 0.0008848800000000 ] - [ 0.0075948900000000, 0.0000000000000000, 0.0005684700000000 ] - [ -0.0010816700000000, 0.0000502200000000, -0.0001146400000000 ] - [ -0.0012661200000000, 0.0000000000000000, 0.0000586700000000 ] - [ -0.0007646700000000, 0.0000368100000000, -0.0001749300000000 ] - [ -0.0007646700000000, -0.0000368100000000, -0.0001749300000000 ] - [ -0.0006606500000000, 0.0000000000000000, -0.0003101300000000 ] - [ -0.0007576300000000, 0.0002879000000000, -0.0003735100000000 ] - [ -0.0010816700000000, -0.0000502200000000, -0.0001146400000000 ] - [ 0.1696261600000000, 0.0000000000000000, 0.0919923700000000 ] - [ -0.0023923300000000, 0.0000000000000000, -0.0005748700000000 ] - [ -0.0035903500000000, 0.0000000000000000, -0.0003165400000000 ] - [ -0.0022567900000000, 0.0000000000000000, 0.0008976600000000 ] - [ -0.0025100700000000, 0.0000000000000000, -0.0002730700000000 ] - [ -0.0059030200000000, 0.0000000000000000, -0.0042821100000000 ] - [ -0.0032116000000000, 0.0000000000000000, -0.0003932700000000 ] - [ -0.0031864300000000, 0.0000000000000000, -0.0005730800000000 ] - [ 0.0148640600000000, 0.0000000000000000, 0.0054332300000000 ] - [ -0.0020190700000000, 0.0000000000000000, -0.0004416200000000 ] - [ -0.0022375500000000, 0.0000000000000000, -0.0001207200000000 ] - [ -0.0005191400000000, 0.0000000000000000, -0.0013169000000000 ] - [ -0.2492302100000000, 0.0000000000000000, -0.1152715000000000 ] - [ 0.0023012400000000, -0.0010866700000000, 0.0005985700000000 ] - [ 0.0028157800000000, 0.0000000000000000, -0.0002981800000000 ] - [ -0.0077605900000000, 0.0000000000000000, 0.0018942700000000 ] - [ -0.0036990800000000, 0.0052309800000000, 0.0029105900000000 ] - [ 0.0023012400000000, 0.0010866700000000, 0.0005985700000000 ] - [ 0.0016090500000000, 0.0002911000000000, -0.0004183600000000 ] - [ 0.0019525000000000, 0.0000000000000000, 0.0006957400000000 ] - [ 0.0023377500000000, 0.0000000000000000, -0.0004732300000000 ] - [ 0.0149320800000000, -0.0139104400000000, 0.0105660500000000 ] - [ 0.0015087600000000, -0.0003256900000000, 0.0003034200000000 ] - [ 0.0003784800000000, -0.0002418900000000, 0.0004706700000000 ] - [ 0.0149320800000000, 0.0139104400000000, 0.0105660500000000 ] - [ 0.0018392000000000, 0.0000000000000000, 0.0000891300000000 ] - [ 0.0015087600000000, 0.0003256900000000, 0.0003034200000000 ] - [ 0.0024915100000000, 0.0000000000000000, 0.0005645300000000 ] - [ -0.0113500400000000, 0.0000000000000000, -0.0072478100000000 ] - [ 0.0003784800000000, 0.0002418900000000, 0.0004706700000000 ] - [ 0.0016185200000000, 0.0000000000000000, -0.0002245900000000 ] - [ 0.0023206600000000, 0.0000000000000000, 0.0009626700000000 ] - [ 0.0014913600000000, 0.0000000000000000, 0.0004243400000000 ] - [ 0.0021159100000000, -0.0011538500000000, 0.0006126000000000 ] - [ 0.0031108100000000, 0.0000000000000000, -0.0000686100000000 ] - [ 0.0011858500000000, 0.0000000000000000, 0.0004353200000000 ] - [ 0.0016090500000000, -0.0002911000000000, -0.0004183600000000 ] - [ 0.0021159100000000, 0.0011538500000000, 0.0006126000000000 ] - [ -0.0036990800000000, -0.0052309800000000, 0.0029105900000000 ] - [ 0.0133497000000000, 0.0000000000000000, 0.0023456300000000 ] - [ 0.0014788200000000, 0.0000000000000000, 0.0002530100000000 ] - [ 0.0023047200000000, -0.0006757900000000, 0.0001213700000000 ] - [ 0.0024537700000000, 0.0009188700000000, 0.0008411500000000 ] - [ 0.0016337500000000, -0.0005244500000000, 0.0002892500000000 ] - [ 0.0023047200000000, 0.0006757900000000, 0.0001213700000000 ] - [ 0.0019336000000000, 0.0000000000000000, 0.0001584600000000 ] - [ 0.0024537700000000, -0.0009188700000000, 0.0008411500000000 ] - [ 0.0020548100000000, 0.0000000000000000, 0.0004689700000000 ] - [ 0.0017032600000000, 0.0000000000000000, 0.0013520000000000 ] - [ 0.0016337500000000, 0.0005244500000000, 0.0002892500000000 ] - [ 0.0016991100000000, 0.0000000000000000, 0.0005488600000000 ] - [ 0.0005958300000000, 0.0000000000000000, -0.0010793800000000 ]- atom: 53 displacement: [ -0.0099999817982353, 0.0000000000000000, -0.0000190797002540 ] forces: - [ -0.0028093600000000, 0.0018932700000000, 0.0017073400000000 ] - [ 0.0010424900000000, -0.0000364500000000, 0.0001362800000000 ] - [ -0.0028093600000000, -0.0018932700000000, 0.0017073400000000 ] - [ 0.0013328600000000, 0.0000000000000000, 0.0003106000000000 ] - [ 0.0007656900000000, -0.0000331900000000, 0.0001761000000000 ] - [ 0.0007048000000000, 0.0000000000000000, 0.0002934100000000 ] - [ 0.0012633700000000, 0.0000206300000000, 0.0001665100000000 ] - [ -0.0029512600000000, 0.0000000000000000, -0.0035475900000000 ] - [ 0.0010424900000000, 0.0000364500000000, 0.0001362800000000 ] - [ 0.0014754900000000, 0.0000000000000000, 0.0000347100000000 ] - [ 0.0012727000000000, 0.0000000000000000, -0.0000944000000000 ] - [ 0.0007656900000000, 0.0000331900000000, 0.0001761000000000 ] - [ 0.0006617900000000, 0.0000000000000000, 0.0003096300000000 ] - [ 0.0022600900000000, -0.0002213700000000, 0.0008613800000000 ] - [ 0.0018391700000000, 0.0000000000000000, -0.0009278100000000 ] - [ -0.0122833500000000, -0.0003453600000000, 0.0008243400000000 ] - [ -0.0122833500000000, 0.0003453600000000, 0.0008243400000000 ] - [ -0.0144066100000000, 0.0000000000000000, 0.0036099000000000 ] - [ 0.0012633700000000, -0.0000206300000000, 0.0001665100000000 ] - [ 0.0022600900000000, 0.0002213700000000, 0.0008613800000000 ] - [ 0.0010557400000000, -0.0001321100000000, 0.0002455400000000 ] - [ 0.0011465400000000, -0.0000480100000000, 0.0001513100000000 ] - [ 0.0010557400000000, 0.0001321100000000, 0.0002455400000000 ] - [ 0.0012867800000000, 0.0000000000000000, 0.0002060800000000 ] - [ 0.0008385400000000, 0.0013422200000000, -0.0009531600000000 ] - [ 0.0008645800000000, 0.0000000000000000, 0.0001595300000000 ] - [ 0.0009633400000000, 0.0004399800000000, 0.0002900300000000 ] - [ 0.0011624800000000, 0.0000000000000000, 0.0004356000000000 ] - [ 0.0011465400000000, 0.0000480100000000, 0.0001513100000000 ] - [ 0.0010776500000000, 0.0000000000000000, -0.0003411200000000 ] - [ 0.0013825800000000, 0.0000000000000000, -0.0000864700000000 ] - [ 0.0008385400000000, -0.0013422200000000, -0.0009531600000000 ] - [ -0.0085037300000000, 0.0000000000000000, -0.0007346200000000 ] - [ 0.0013123600000000, -0.0000295000000000, 0.0002785900000000 ] - [ 0.0014672000000000, 0.0000000000000000, 0.0003219700000000 ] - [ 0.0007291200000000, -0.0002827000000000, 0.0002350500000000 ] - [ 0.0007291200000000, 0.0002827000000000, 0.0002350500000000 ] - [ 0.0010797700000000, 0.0000000000000000, -0.0000085200000000 ] - [ 0.0009633400000000, -0.0004399800000000, 0.0002900300000000 ] - [ 0.0013123600000000, 0.0000295000000000, 0.0002785900000000 ] - [ -0.1625532900000000, 0.0000000000000000, -0.0851466800000000 ] - [ 0.0025052200000000, 0.0000000000000000, 0.0002793500000000 ] - [ 0.0034339500000000, 0.0000000000000000, 0.0004173900000000 ] - [ 0.0024110000000000, 0.0000000000000000, -0.0009922500000000 ] - [ 0.0023989600000000, 0.0000000000000000, 0.0005678500000000 ] - [ 0.0060283000000000, 0.0000000000000000, 0.0040065600000000 ] - [ 0.0030558100000000, 0.0000000000000000, 0.0004948100000000 ] - [ 0.0033410600000000, 0.0000000000000000, 0.0004698400000000 ] - [ -0.0150781400000000, 0.0000000000000000, -0.0051252500000000 ] - [ 0.0022381700000000, 0.0000000000000000, 0.0001232700000000 ] - [ 0.0020202900000000, 0.0000000000000000, 0.0004378900000000 ] - [ 0.0007099000000000, 0.0000000000000000, 0.0010229600000000 ] - [ 0.2424087300000000, 0.0000000000000000, 0.1081097500000000 ] - [ -0.0017078000000000, -0.0005071100000000, -0.0002913200000000 ] - [ -0.0018096900000000, 0.0000000000000000, -0.0002701500000000 ] - [ 0.0071894400000000, 0.0000000000000000, -0.0013284400000000 ] - [ 0.0037371400000000, -0.0058099100000000, -0.0029085500000000 ] - [ -0.0017078000000000, 0.0005071100000000, -0.0002913200000000 ] - [ -0.0016061900000000, 0.0002839300000000, 0.0004212200000000 ] - [ -0.0014891100000000, 0.0000000000000000, -0.0004266900000000 ] - [ -0.0027392700000000, 0.0000000000000000, 0.0005305500000000 ] - [ -0.0138964100000000, 0.0126752500000000, -0.0105550100000000 ] - [ -0.0022957200000000, -0.0006763900000000, -0.0001262300000000 ] - [ -0.0009756400000000, -0.0013536500000000, -0.0007758200000000 ] - [ -0.0138964100000000, -0.0126752500000000, -0.0105550100000000 ] - [ -0.0014290100000000, 0.0000000000000000, -0.0001516400000000 ] - [ -0.0022957200000000, 0.0006763900000000, -0.0001262300000000 ] - [ -0.0034983600000000, 0.0000000000000000, -0.0000002300000000 ] - [ 0.0107224200000000, 0.0000000000000000, 0.0076535700000000 ] - [ -0.0009756400000000, 0.0013536500000000, -0.0007758200000000 ] - [ -0.0011915700000000, 0.0000000000000000, -0.0004377100000000 ] - [ -0.0017179500000000, 0.0000000000000000, -0.0013532000000000 ] - [ -0.0019539800000000, 0.0000000000000000, -0.0007032600000000 ] - [ -0.0015246100000000, -0.0004359400000000, -0.0003076100000000 ] - [ -0.0021053400000000, 0.0000000000000000, -0.0004964300000000 ] - [ -0.0016179500000000, 0.0000000000000000, 0.0002325600000000 ] - [ -0.0016061900000000, -0.0002839300000000, 0.0004212200000000 ] - [ -0.0015246100000000, 0.0004359400000000, -0.0003076100000000 ] - [ 0.0037371400000000, 0.0058099100000000, -0.0029085500000000 ] - [ -0.0130430600000000, 0.0000000000000000, -0.0020808400000000 ] - [ -0.0018902700000000, 0.0000000000000000, -0.0001915700000000 ] - [ -0.0015186800000000, -0.0003266700000000, -0.0003024200000000 ] - [ -0.0032450300000000, -0.0019267800000000, -0.0006668200000000 ] - [ -0.0022258400000000, -0.0010659000000000, -0.0005953500000000 ] - [ -0.0015186800000000, 0.0003266700000000, -0.0003024200000000 ] - [ -0.0015240900000000, 0.0000000000000000, -0.0002190800000000 ] - [ -0.0032450300000000, 0.0019267800000000, -0.0006668200000000 ] - [ -0.0030592000000000, 0.0000000000000000, 0.0000952400000000 ] - [ -0.0023125500000000, 0.0000000000000000, -0.0009580500000000 ] - [ -0.0022258400000000, 0.0010659000000000, -0.0005953500000000 ] - [ -0.0012690600000000, 0.0000000000000000, -0.0012158600000000 ] - [ 0.0000208000000000, 0.0000000000000000, 0.0006920500000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001060900000000, -0.0004869400000000, -0.0008350000000000 ] - [ -0.0001873600000000, -0.0000214600000000, -0.0001092500000000 ] - [ -0.0003005600000000, -0.0003661100000000, 0.0009257300000000 ] - [ 0.0002061900000000, -0.0000550800000000, 0.0000271600000000 ] - [ 0.0000183000000000, 0.0001169500000000, -0.0000324700000000 ] - [ -0.0002039800000000, 0.0003550200000000, -0.0000257000000000 ] - [ 0.0001018800000000, 0.0000742000000000, -0.0000432100000000 ] - [ -0.0001676800000000, -0.0040021100000000, 0.0001879000000000 ] - [ -0.0000970700000000, 0.0000111300000000, -0.0000779700000000 ] - [ 0.0001599300000000, 0.0000001300000000, -0.0001939500000000 ] - [ -0.0000987300000000, 0.0000066400000000, -0.0001899200000000 ] - [ 0.0000167600000000, -0.0001191800000000, -0.0000310700000000 ] - [ -0.0002130300000000, 0.0000010600000000, 0.0001762000000000 ] - [ -0.0014803700000000, -0.0001303500000000, -0.0005032000000000 ] - [ 0.0001059400000000, 0.0020368400000000, 0.0001941300000000 ] - [ 0.0014968500000000, 0.0070599800000000, -0.0032509400000000 ] - [ -0.0013668000000000, 0.0069617500000000, 0.0029046900000000 ] - [ 0.0002243900000000, 0.0048984500000000, -0.0001831500000000 ] - [ 0.0001000100000000, -0.0000742600000000, -0.0000422400000000 ] - [ 0.0017395200000000, -0.0001527100000000, 0.0006760500000000 ] - [ -0.0000999900000000, -0.0000765200000000, 0.0000433500000000 ] - [ -0.0001305900000000, -0.0000176100000000, -0.0000929900000000 ] - [ -0.0000964400000000, 0.0000743600000000, 0.0000440000000000 ] - [ 0.0002109300000000, -0.0000014400000000, 0.0000234500000000 ] - [ -0.0003711600000000, 0.0002106200000000, -0.0000141100000000 ] - [ -0.0002071100000000, -0.0000025100000000, -0.0000218700000000 ] - [ 0.0000904600000000, 0.0000794900000000, -0.0000280200000000 ] - [ -0.0001547900000000, -0.0000021700000000, 0.0001953200000000 ] - [ -0.0001471700000000, 0.0000133500000000, -0.0000896700000000 ] - [ 0.0001601300000000, 0.0000273400000000, -0.0001938100000000 ] - [ -0.0000964500000000, -0.0000171400000000, -0.0001903400000000 ] - [ 0.0003982600000000, -0.0000276500000000, -0.0000431100000000 ] - [ -0.0002237500000000, 0.0048899200000000, 0.0001596400000000 ] - [ 0.0001486400000000, 0.0000185400000000, 0.0000988600000000 ] - [ 0.0001031500000000, -0.0000008200000000, 0.0001904200000000 ] - [ -0.0000072600000000, -0.0001217800000000, 0.0000333000000000 ] - [ -0.0000145100000000, 0.0001235000000000, 0.0000283100000000 ] - [ 0.0002143100000000, -0.0000022400000000, -0.0001651500000000 ] - [ 0.0001111600000000, -0.0000695900000000, -0.0000582100000000 ] - [ 0.0001267600000000, -0.0000067100000000, 0.0000831700000000 ] - [ -0.0004632600000000, 0.0393323700000000, -0.0001421800000000 ] - [ 0.0000608100000000, 0.0000091200000000, -0.0001476800000000 ] - [ -0.0000722000000000, -0.0000427100000000, 0.0000546200000000 ] - [ 0.0000809300000000, -0.0016933700000000, -0.0000523100000000 ] - [ -0.0000533400000000, -0.0000083500000000, 0.0001488900000000 ] - [ 0.0000557100000000, -0.0003386400000000, -0.0001527100000000 ] - [ -0.0000726000000000, 0.0000125400000000, 0.0000535000000000 ] - [ 0.0000814000000000, 0.0000056500000000, -0.0000525600000000 ] - [ -0.0000937200000000, -0.0054731900000000, 0.0000966700000000 ] - [ 0.0001077200000000, 0.0000001500000000, -0.0001564700000000 ] - [ -0.0000992400000000, 0.0000017600000000, 0.0001570000000000 ] - [ 0.0001151800000000, -0.0018592500000000, -0.0001499200000000 ] - [ -0.0001042800000000, -0.0578614200000000, 0.0006057400000000 ] - [ 0.0003349500000000, -0.0008089800000000, 0.0001714400000000 ] - [ 0.0005084500000000, 0.0002401600000000, -0.0002849000000000 ] - [ -0.0002508400000000, -0.0091425000000000, 0.0003099700000000 ] - [ -0.0000478700000000, 0.0034574500000000, 0.0056678800000000 ] - [ 0.0002603800000000, 0.0007844400000000, 0.0001410700000000 ] - [ 0.0000070200000000, 0.0002774600000000, 0.0000085900000000 ] - [ 0.0002246500000000, -0.0000054600000000, 0.0001343300000000 ] - [ -0.0002110500000000, 0.0013527500000000, 0.0000359600000000 ] - [ -0.0176134700000000, 0.0020019200000000, -0.0078594600000000 ] - [ -0.0004050600000000, -0.0005058600000000, 0.0000880800000000 ] - [ 0.0005419800000000, -0.0002349100000000, 0.0004129100000000 ] - [ 0.0185398400000000, 0.0029637500000000, 0.0077004300000000 ] - [ 0.0002065500000000, -0.0000397400000000, -0.0000370700000000 ] - [ -0.0003918100000000, 0.0004997900000000, 0.0000851200000000 ] - [ -0.0005125900000000, -0.0007367200000000, 0.0002863100000000 ] - [ -0.0002763100000000, 0.0027568700000000, 0.0002008000000000 ] - [ -0.0011415600000000, 0.0013680200000000, -0.0007276700000000 ] - [ 0.0002096600000000, -0.0000053200000000, -0.0003282000000000 ] - [ 0.0003011300000000, 0.0000079300000000, -0.0001915300000000 ] - [ -0.0002269600000000, 0.0000116100000000, -0.0001353900000000 ] - [ 0.0003058500000000, -0.0008003000000000, 0.0001596100000000 ] - [ 0.0005095800000000, 0.0000015000000000, -0.0002862500000000 ] - [ -0.0002112100000000, 0.0000132000000000, 0.0003266800000000 ] - [ -0.0000120400000000, -0.0002802500000000, -0.0000046700000000 ] - [ 0.0002872500000000, 0.0007943300000000, 0.0001526100000000 ] - [ 0.0000308600000000, 0.0039818400000000, -0.0056427400000000 ] - [ 0.0002371500000000, -0.0013699400000000, 0.0001370100000000 ] - [ -0.0002099600000000, -0.0000036500000000, 0.0000367200000000 ] - [ 0.0003909900000000, -0.0004981900000000, -0.0000853500000000 ] - [ -0.0005420600000000, -0.0005204300000000, 0.0000376900000000 ] - [ -0.0003023600000000, -0.0007993800000000, -0.0001589200000000 ] - [ 0.0003939300000000, 0.0005060100000000, -0.0000894200000000 ] - [ 0.0002074700000000, -0.0000074000000000, -0.0000357300000000 ] - [ -0.0002509200000000, 0.0004815600000000, 0.0001354600000000 ] - [ -0.0005138000000000, 0.0000020500000000, 0.0002853800000000 ] - [ -0.0003051700000000, -0.0000158600000000, 0.0001888400000000 ] - [ -0.0003004700000000, 0.0007951500000000, -0.0001553400000000 ] - [ 0.0002089300000000, 0.0000384800000000, -0.0003267000000000 ] - [ 0.0003009200000000, 0.0001490800000000, -0.0001924700000000 ]- atom: 53 displacement: [ -0.0016676867133328, 0.0000000000000000, 0.0098599604982055 ] forces: - [ -0.0000367100000000, -0.0019704300000000, -0.0000352900000000 ] - [ -0.0003022500000000, -0.0000013900000000, -0.0001111700000000 ] - [ -0.0000367100000000, 0.0019704300000000, -0.0000352900000000 ] - [ 0.0000535100000000, 0.0000000000000000, 0.0000067500000000 ] - [ -0.0000970500000000, 0.0001471700000000, -0.0000619500000000 ] - [ -0.0004622500000000, 0.0000000000000000, -0.0000380900000000 ] - [ -0.0000770900000000, 0.0000842800000000, -0.0000728700000000 ] - [ 0.0008770800000000, 0.0000000000000000, 0.0007173400000000 ] - [ -0.0003022500000000, 0.0000013900000000, -0.0001111700000000 ] - [ -0.0000452700000000, 0.0000000000000000, -0.0002342800000000 ] - [ -0.0003081400000000, 0.0000000000000000, -0.0002148600000000 ] - [ -0.0000970500000000, -0.0001471700000000, -0.0000619500000000 ] - [ -0.0003454800000000, 0.0000000000000000, 0.0001360200000000 ] - [ 0.0000910100000000, -0.0000707100000000, -0.0000584000000000 ] - [ -0.0003774900000000, 0.0000000000000000, -0.0004911300000000 ] - [ 0.0008586700000000, -0.0023646200000000, 0.0056916000000000 ] - [ 0.0008586700000000, 0.0023646200000000, 0.0056916000000000 ] - [ -0.0071216300000000, 0.0000000000000000, 0.0102490300000000 ] - [ -0.0000770900000000, -0.0000842800000000, -0.0000728700000000 ] - [ 0.0000910100000000, 0.0000707100000000, -0.0000584000000000 ] - [ -0.0002766300000000, -0.0000667200000000, 0.0000111100000000 ] - [ -0.0002954100000000, -0.0000031800000000, -0.0001072700000000 ] - [ -0.0002766300000000, 0.0000667200000000, 0.0000111100000000 ] - [ 0.0000404200000000, 0.0000000000000000, -0.0000019100000000 ] - [ -0.0000458100000000, 0.0003235300000000, -0.0001343900000000 ] - [ -0.0003750600000000, 0.0000000000000000, -0.0000472900000000 ] - [ -0.0000777000000000, 0.0000719700000000, -0.0000595000000000 ] - [ -0.0003593400000000, 0.0000000000000000, 0.0001604100000000 ] - [ -0.0002954100000000, 0.0000031800000000, -0.0001072700000000 ] - [ -0.0000315100000000, 0.0000000000000000, -0.0002564800000000 ] - [ -0.0003114600000000, 0.0000000000000000, -0.0002244300000000 ] - [ -0.0000458100000000, -0.0003235300000000, -0.0001343900000000 ] - [ -0.0016781100000000, 0.0000000000000000, 0.0042571100000000 ] - [ -0.0000679300000000, 0.0000161600000000, 0.0000517000000000 ] - [ -0.0001084300000000, 0.0000000000000000, 0.0001698400000000 ] - [ -0.0001313500000000, -0.0000980800000000, -0.0000004500000000 ] - [ -0.0001313500000000, 0.0000980800000000, -0.0000004500000000 ] - [ 0.0000792600000000, 0.0000000000000000, -0.0001817000000000 ] - [ -0.0000777000000000, -0.0000719700000000, -0.0000595000000000 ] - [ -0.0000679300000000, -0.0000161600000000, 0.0000517000000000 ] - [ 0.0648901300000000, 0.0000000000000000, 0.0854142800000000 ] - [ -0.0003228900000000, 0.0000000000000000, -0.0002121300000000 ] - [ -0.0005828300000000, 0.0000000000000000, -0.0000249500000000 ] - [ -0.0001916200000000, 0.0000000000000000, -0.0002589500000000 ] - [ -0.0004308400000000, 0.0000000000000000, 0.0000837000000000 ] - [ -0.0004886700000000, 0.0000000000000000, -0.0001032600000000 ] - [ -0.0005804800000000, 0.0000000000000000, -0.0000393400000000 ] - [ -0.0004192300000000, 0.0000000000000000, -0.0001358500000000 ] - [ 0.0038599500000000, 0.0000000000000000, -0.0024625200000000 ] - [ -0.0002198900000000, 0.0000000000000000, -0.0002001300000000 ] - [ -0.0004311200000000, 0.0000000000000000, 0.0001144700000000 ] - [ -0.0011753300000000, 0.0000000000000000, 0.0002454500000000 ] - [ -0.0699976700000000, 0.0000000000000000, -0.1502524400000000 ] - [ 0.0005900400000000, -0.0008369200000000, 0.0002175200000000 ] - [ 0.0009412900000000, 0.0000000000000000, -0.0002090200000000 ] - [ 0.0085371900000000, 0.0000000000000000, 0.0361629400000000 ] - [ -0.0002073900000000, 0.0024636800000000, 0.0083289000000000 ] - [ 0.0005900400000000, 0.0008369200000000, 0.0002175200000000 ] - [ 0.0002450000000000, 0.0002871600000000, -0.0000643700000000 ] - [ 0.0004962400000000, 0.0000000000000000, 0.0002244200000000 ] - [ -0.0000182500000000, 0.0000000000000000, 0.0001246000000000 ] - [ 0.0016333600000000, -0.0006059400000000, -0.0049576700000000 ] - [ -0.0000981400000000, -0.0004775000000000, 0.0001224600000000 ] - [ 0.0000244800000000, -0.0002525000000000, -0.0002022600000000 ] - [ 0.0016333600000000, 0.0006059400000000, -0.0049576700000000 ] - [ 0.0004608800000000, 0.0000000000000000, 0.0000057700000000 ] - [ -0.0000981400000000, 0.0004775000000000, 0.0001224600000000 ] - [ -0.0001187800000000, 0.0000000000000000, 0.0003652400000000 ] - [ -0.0034423500000000, 0.0000000000000000, 0.0010133800000000 ] - [ 0.0000244800000000, 0.0002525000000000, -0.0002022600000000 ] - [ 0.0004315000000000, 0.0000000000000000, -0.0003162300000000 ] - [ 0.0006145000000000, 0.0000000000000000, -0.0000190500000000 ] - [ 0.0000329300000000, 0.0000000000000000, -0.0000501900000000 ] - [ 0.0006004800000000, -0.0008374300000000, 0.0002250800000000 ] - [ 0.0008947100000000, 0.0000000000000000, -0.0002538100000000 ] - [ -0.0000005000000000, 0.0000000000000000, 0.0003457900000000 ] - [ 0.0002450000000000, -0.0002871600000000, -0.0000643700000000 ] - [ 0.0006004800000000, 0.0008374300000000, 0.0002250800000000 ] - [ -0.0002073900000000, -0.0024636800000000, 0.0083289000000000 ] - [ 0.0002329800000000, 0.0000000000000000, -0.0011252600000000 ] - [ 0.0000515300000000, 0.0000000000000000, 0.0000667600000000 ] - [ 0.0006844600000000, -0.0005288900000000, -0.0000568700000000 ] - [ -0.0001439400000000, -0.0004539200000000, 0.0001086200000000 ] - [ -0.0000059100000000, -0.0007526500000000, -0.0000842800000000 ] - [ 0.0006844600000000, 0.0005288900000000, -0.0000568700000000 ] - [ 0.0004616300000000, 0.0000000000000000, 0.0000061900000000 ] - [ -0.0001439400000000, 0.0004539200000000, 0.0001086200000000 ] - [ -0.0001048600000000, 0.0000000000000000, 0.0003150100000000 ] - [ 0.0000019600000000, 0.0000000000000000, 0.0003730300000000 ] - [ -0.0000059100000000, 0.0007526500000000, -0.0000842800000000 ] - [ 0.0005466000000000, 0.0000000000000000, -0.0003903500000000 ] - [ 0.0008167900000000, 0.0000000000000000, -0.0003144100000000 ]- atom: 53 displacement: [ 0.0016676867133328, 0.0000000000000000, -0.0098599604982055 ] forces: - [ -0.0002000100000000, 0.0018050300000000, 0.0001352200000000 ] - [ 0.0000681800000000, -0.0000197900000000, -0.0000533300000000 ] - [ -0.0002000100000000, -0.0018050300000000, 0.0001352200000000 ] - [ 0.0003708900000000, 0.0000000000000000, 0.0000363000000000 ] - [ 0.0001316300000000, 0.0000961200000000, 0.0000017100000000 ] - [ 0.0000440100000000, 0.0000000000000000, -0.0000041800000000 ] - [ 0.0002839700000000, 0.0000637300000000, -0.0000111700000000 ] - [ -0.0012034800000000, 0.0000000000000000, -0.0003546600000000 ] - [ 0.0000681800000000, 0.0000197900000000, -0.0000533300000000 ] - [ 0.0003662500000000, 0.0000000000000000, -0.0001556300000000 ] - [ 0.0001093500000000, 0.0000000000000000, -0.0001671900000000 ] - [ 0.0001316300000000, -0.0000961200000000, 0.0000017100000000 ] - [ -0.0000747900000000, 0.0000000000000000, 0.0001840500000000 ] - [ 0.0001548800000000, 0.0000903900000000, 0.0002304000000000 ] - [ 0.0005727200000000, 0.0000000000000000, 0.0008484400000000 ] - [ -0.0006823600000000, 0.0025636100000000, -0.0060856900000000 ] - [ -0.0006823600000000, -0.0025636100000000, -0.0060856900000000 ] - [ 0.0068673700000000, 0.0000000000000000, -0.0100693200000000 ] - [ 0.0002839700000000, -0.0000637300000000, -0.0000111700000000 ] - [ 0.0001548800000000, -0.0000903900000000, 0.0002304000000000 ] - [ 0.0000753400000000, -0.0000809900000000, 0.0000738100000000 ] - [ 0.0000667200000000, -0.0000176200000000, -0.0000575800000000 ] - [ 0.0000753400000000, 0.0000809900000000, 0.0000738100000000 ] - [ 0.0003829000000000, 0.0000000000000000, 0.0000478500000000 ] - [ 0.0000831400000000, -0.0000826400000000, 0.0000779900000000 ] - [ -0.0000454700000000, 0.0000000000000000, 0.0000049500000000 ] - [ 0.0002880900000000, 0.0000759200000000, -0.0000251600000000 ] - [ 0.0000445500000000, 0.0000000000000000, 0.0002302000000000 ] - [ 0.0000667200000000, 0.0000176200000000, -0.0000575800000000 ] - [ 0.0003556500000000, 0.0000000000000000, -0.0001306900000000 ] - [ 0.0001121300000000, 0.0000000000000000, -0.0001554100000000 ] - [ 0.0000831400000000, 0.0000826400000000, 0.0000779900000000 ] - [ 0.0010193300000000, 0.0000000000000000, -0.0041135100000000 ] - [ 0.0003063800000000, 0.0000043300000000, 0.0001126600000000 ] - [ 0.0003136000000000, 0.0000000000000000, 0.0002121800000000 ] - [ 0.0001011200000000, -0.0001455300000000, 0.0000618400000000 ] - [ 0.0001011200000000, 0.0001455300000000, 0.0000618400000000 ] - [ 0.0003446500000000, 0.0000000000000000, -0.0001365600000000 ] - [ 0.0002880900000000, -0.0000759200000000, -0.0000251600000000 ] - [ 0.0003063800000000, -0.0000043300000000, 0.0001126600000000 ] - [ -0.0626603900000000, 0.0000000000000000, -0.0844052500000000 ] - [ 0.0004401600000000, 0.0000000000000000, -0.0000822700000000 ] - [ 0.0004399200000000, 0.0000000000000000, 0.0001253600000000 ] - [ 0.0003544200000000, 0.0000000000000000, 0.0001432300000000 ] - [ 0.0003257000000000, 0.0000000000000000, 0.0002121500000000 ] - [ 0.0006046800000000, 0.0000000000000000, -0.0002024700000000 ] - [ 0.0004267000000000, 0.0000000000000000, 0.0001431500000000 ] - [ 0.0005770800000000, 0.0000000000000000, 0.0000363700000000 ] - [ -0.0041145100000000, 0.0000000000000000, 0.0028255600000000 ] - [ 0.0004415300000000, 0.0000000000000000, -0.0001172100000000 ] - [ 0.0002198300000000, 0.0000000000000000, 0.0002023400000000 ] - [ 0.0014008700000000, 0.0000000000000000, -0.0005748000000000 ] - [ 0.0676056700000000, 0.0000000000000000, 0.1497488400000000 ] - [ 0.0000016800000000, -0.0007587800000000, 0.0000887600000000 ] - [ 0.0000681000000000, 0.0000000000000000, -0.0003546000000000 ] - [ -0.0086070400000000, 0.0000000000000000, -0.0351429400000000 ] - [ 0.0001755400000000, -0.0031143400000000, -0.0083712100000000 ] - [ 0.0000016800000000, 0.0007587800000000, 0.0000887600000000 ] - [ -0.0002495300000000, 0.0002961800000000, 0.0000665100000000 ] - [ -0.0000415000000000, 0.0000000000000000, 0.0000454500000000 ] - [ -0.0004081500000000, 0.0000000000000000, -0.0000478000000000 ] - [ -0.0009520500000000, -0.0003508400000000, 0.0046843100000000 ] - [ -0.0006885900000000, -0.0005279500000000, 0.0000560000000000 ] - [ -0.0006150700000000, -0.0013434000000000, -0.0001109700000000 ] - [ -0.0009520500000000, 0.0003508400000000, 0.0046843100000000 ] - [ -0.0000512800000000, 0.0000000000000000, -0.0000726900000000 ] - [ -0.0006885900000000, 0.0005279500000000, 0.0000560000000000 ] - [ -0.0009088900000000, 0.0000000000000000, 0.0002017600000000 ] - [ 0.0028543200000000, 0.0000000000000000, -0.0006262800000000 ] - [ -0.0006150700000000, 0.0013434000000000, -0.0001109700000000 ] - [ -0.0000018900000000, 0.0000000000000000, -0.0003469000000000 ] - [ -0.0000042300000000, 0.0000000000000000, -0.0003707000000000 ] - [ -0.0004942400000000, 0.0000000000000000, -0.0002240700000000 ] - [ -0.0000076100000000, -0.0007637400000000, 0.0000866500000000 ] - [ 0.0001204900000000, 0.0000000000000000, -0.0003143000000000 ] - [ -0.0004357700000000, 0.0000000000000000, 0.0003175700000000 ] - [ -0.0002495300000000, -0.0002961800000000, 0.0000665100000000 ] - [ -0.0000076100000000, 0.0007637400000000, 0.0000866500000000 ] - [ 0.0001755400000000, 0.0031143400000000, -0.0083712100000000 ] - [ 0.0002561700000000, 0.0000000000000000, 0.0014024700000000 ] - [ -0.0004675800000000, 0.0000000000000000, -0.0000030700000000 ] - [ 0.0000915300000000, -0.0004745600000000, -0.0001232600000000 ] - [ -0.0006419600000000, -0.0005489000000000, 0.0000696400000000 ] - [ -0.0005966300000000, -0.0008423800000000, -0.0002224100000000 ] - [ 0.0000915300000000, 0.0004745600000000, -0.0001232600000000 ] - [ -0.0000499700000000, 0.0000000000000000, -0.0000796500000000 ] - [ -0.0006419600000000, 0.0005489000000000, 0.0000696400000000 ] - [ -0.0009089200000000, 0.0000000000000000, 0.0002497300000000 ] - [ -0.0006219500000000, 0.0000000000000000, 0.0000125400000000 ] - [ -0.0005966300000000, 0.0008423800000000, -0.0002224100000000 ] - [ -0.0001185700000000, 0.0000000000000000, -0.0002744600000000 ] - [ -0.0002092100000000, 0.0000000000000000, -0.0000733300000000 ]- atom: 54 displacement: [ 0.0099999817982353, 0.0000000000000000, 0.0000190797002540 ] forces: - [ -0.0011655600000000, 0.0000675700000000, 0.0000301300000000 ] - [ 0.0054258100000000, 0.0002458400000000, 0.0006359000000000 ] - [ -0.0011948800000000, -0.0000613100000000, -0.0000340700000000 ] - [ 0.0119559600000000, 0.0018342600000000, 0.0002252700000000 ] - [ -0.0002096900000000, 0.0001009300000000, 0.0005439800000000 ] - [ 0.0001737600000000, 0.0012935600000000, 0.0027360900000000 ] - [ 0.0030732700000000, -0.0012298400000000, 0.0002564900000000 ] - [ -0.0014973900000000, 0.0000638800000000, -0.0002427100000000 ] - [ 0.0129511800000000, -0.0002071300000000, -0.0000109900000000 ] - [ 0.0014263700000000, -0.0042068300000000, 0.0034306200000000 ] - [ 0.0092023800000000, 0.0039261500000000, 0.0031355500000000 ] - [ -0.0017495200000000, 0.0000365100000000, -0.0000069500000000 ] - [ -0.0011280600000000, -0.0000350800000000, -0.0001794900000000 ] - [ -0.0009516400000000, 0.0014617100000000, 0.0010357500000000 ] - [ -0.0016189800000000, -0.0002652400000000, -0.0016401500000000 ] - [ -0.0008411300000000, 0.0000699600000000, -0.0002545600000000 ] - [ -0.0008306000000000, -0.0000736300000000, -0.0002370500000000 ] - [ -0.0007641000000000, -0.0000006200000000, -0.0003105200000000 ] - [ 0.0326923600000000, 0.0003554200000000, 0.0114063200000000 ] - [ -0.0033542500000000, -0.0013682300000000, 0.0002369400000000 ] - [ -0.0013991400000000, -0.0000105100000000, -0.0001838500000000 ] - [ -0.0014407100000000, 0.0000356800000000, -0.0002946500000000 ] - [ -0.0013945600000000, 0.0000080100000000, -0.0001822600000000 ] - [ -0.0009868300000000, 0.0000013000000000, -0.0001723100000000 ] - [ -0.0008149000000000, 0.0002970500000000, -0.0002595400000000 ] - [ -0.0014062900000000, -0.0000016100000000, -0.0002134200000000 ] - [ -0.0011855400000000, 0.0001395700000000, -0.0002688400000000 ] - [ -0.0016358000000000, -0.0000046300000000, -0.0000758900000000 ] - [ -0.0014417300000000, -0.0000394900000000, -0.0002908600000000 ] - [ -0.0013101900000000, 0.0000034000000000, -0.0004611900000000 ] - [ -0.0016233400000000, -0.0000002800000000, -0.0003405400000000 ] - [ -0.0008144200000000, -0.0002974900000000, -0.0002579000000000 ] - [ -0.0011850300000000, 0.0000036200000000, -0.0000196600000000 ] - [ -0.0012344600000000, 0.0000551100000000, -0.0001407000000000 ] - [ -0.0014205000000000, 0.0000002000000000, 0.0000404200000000 ] - [ -0.0008539000000000, 0.0000817500000000, -0.0001981600000000 ] - [ -0.0008601000000000, -0.0000712700000000, -0.0002218100000000 ] - [ -0.0006772600000000, -0.0000364600000000, -0.0001740000000000 ] - [ -0.0011850800000000, -0.0001376300000000, -0.0002689500000000 ] - [ -0.0012224900000000, -0.0000550000000000, -0.0001414800000000 ] - [ -0.0031667900000000, -0.0001815000000000, -0.0001050800000000 ] - [ 0.0005810000000000, 0.0060450300000000, -0.0029113900000000 ] - [ 0.0734425700000000, -0.0471582800000000, 0.0265099900000000 ] - [ 0.0052884700000000, -0.0008350300000000, -0.0033722200000000 ] - [ -0.0027541900000000, 0.0000005100000000, -0.0002791300000000 ] - [ -0.0026866700000000, -0.0000000300000000, -0.0006189200000000 ] - [ -0.0036889800000000, -0.0000008300000000, -0.0005509300000000 ] - [ -0.0035331000000000, 0.0000020800000000, -0.0006500100000000 ] - [ -0.0024775500000000, 0.0000101500000000, -0.0000417700000000 ] - [ -0.0023807800000000, -0.0001599900000000, -0.0017460500000000 ] - [ -0.0025187600000000, 0.0000626300000000, -0.0001398600000000 ] - [ -0.0022618700000000, -0.0000024300000000, -0.0004677600000000 ] - [ 0.0017778700000000, 0.0000346300000000, 0.0005028200000000 ] - [ -0.1310159300000000, 0.0615653400000000, -0.0480546100000000 ] - [ -0.0070920900000000, 0.0027745200000000, -0.0038129600000000 ] - [ 0.0012657300000000, 0.0000242600000000, 0.0002736500000000 ] - [ 0.0017894300000000, -0.0002786900000000, -0.0004812000000000 ] - [ -0.0148987400000000, 0.0007138300000000, -0.0016665000000000 ] - [ 0.0017785800000000, 0.0002724800000000, -0.0003044300000000 ] - [ 0.0009041500000000, -0.0008537100000000, 0.0005736000000000 ] - [ 0.0012322400000000, 0.0024950400000000, 0.0027094700000000 ] - [ 0.0028154500000000, -0.0004101300000000, 0.0001359600000000 ] - [ -0.0054454700000000, -0.0026795400000000, -0.0001882400000000 ] - [ -0.0009823700000000, -0.0015255800000000, 0.0001744100000000 ] - [ 0.0032153300000000, 0.0004251000000000, 0.0001166600000000 ] - [ -0.0140577700000000, -0.0019866500000000, -0.0021604000000000 ] - [ 0.0005846000000000, -0.0017966900000000, 0.0008097400000000 ] - [ 0.0158334200000000, -0.0200627800000000, 0.0075668500000000 ] - [ 0.0016973100000000, 0.0000010200000000, 0.0014318600000000 ] - [ -0.0003631200000000, 0.0017078400000000, -0.0002875800000000 ] - [ 0.0023713100000000, -0.0037855200000000, 0.0017261100000000 ] - [ 0.0054498100000000, 0.0035063500000000, 0.0016409500000000 ] - [ 0.0015929900000000, 0.0000192700000000, 0.0004830000000000 ] - [ 0.0024414900000000, -0.0010947700000000, 0.0006428800000000 ] - [ 0.0033703500000000, -0.0000035600000000, -0.0000582400000000 ] - [ 0.0013582500000000, 0.0000222200000000, 0.0004328100000000 ] - [ 0.0020414600000000, -0.0001994600000000, -0.0004223800000000 ] - [ 0.0024395000000000, 0.0010961700000000, 0.0006445300000000 ] - [ 0.0017813200000000, 0.0002765600000000, -0.0004776100000000 ] - [ 0.0021622600000000, 0.0000007900000000, 0.0007632000000000 ] - [ 0.0016733000000000, -0.0000028600000000, 0.0002960000000000 ] - [ 0.0025184300000000, -0.0006819200000000, 0.0001465300000000 ] - [ 0.0017380500000000, -0.0003072800000000, 0.0003228400000000 ] - [ 0.0018440400000000, -0.0005014000000000, 0.0003329100000000 ] - [ 0.0025236800000000, 0.0006855700000000, 0.0001436900000000 ] - [ 0.0020870300000000, 0.0000035600000000, 0.0002362600000000 ] - [ 0.0017422000000000, 0.0003065900000000, 0.0003229600000000 ] - [ 0.0023567300000000, 0.0000030700000000, 0.0005058200000000 ] - [ 0.0019647800000000, -0.0000236000000000, 0.0015067700000000 ] - [ 0.0018458700000000, 0.0004985400000000, 0.0003355400000000 ] - [ 0.0017736400000000, 0.0000022600000000, -0.0002179900000000 ] - [ 0.0025385500000000, -0.0000024000000000, 0.0010965000000000 ]- atom: 54 displacement: [ -0.0099999817982353, 0.0000000000000000, -0.0000190797002540 ] forces: - [ 0.0009413500000000, -0.0002222700000000, 0.0000507600000000 ] - [ -0.0056101900000000, -0.0002463800000000, -0.0007847000000000 ] - [ 0.0009873400000000, 0.0002092900000000, 0.0001184900000000 ] - [ -0.0116799600000000, -0.0021143800000000, -0.0001443600000000 ] - [ 0.0002575200000000, 0.0001303500000000, -0.0006045700000000 ] - [ -0.0006154300000000, -0.0013096000000000, -0.0028060800000000 ] - [ -0.0028260600000000, 0.0013750400000000, -0.0003366600000000 ] - [ 0.0011797700000000, -0.0000712900000000, 0.0006305400000000 ] - [ -0.0130903200000000, 0.0001959200000000, -0.0001602400000000 ] - [ -0.0010860100000000, 0.0041829100000000, -0.0037825000000000 ] - [ -0.0093204400000000, -0.0039740200000000, -0.0035592600000000 ] - [ 0.0017710600000000, -0.0002733600000000, -0.0000535400000000 ] - [ 0.0007139900000000, 0.0000378900000000, 0.0004834900000000 ] - [ 0.0011535400000000, -0.0014427500000000, -0.0008821400000000 ] - [ 0.0018189400000000, 0.0002661500000000, 0.0020262000000000 ] - [ 0.0008048100000000, -0.0003145700000000, 0.0003122300000000 ] - [ 0.0007950200000000, 0.0003174800000000, 0.0002959300000000 ] - [ 0.0011808500000000, -0.0000032000000000, -0.0000067800000000 ] - [ -0.0306858500000000, -0.0004669500000000, -0.0106285800000000 ] - [ 0.0035836100000000, 0.0013608200000000, -0.0000862200000000 ] - [ 0.0011811600000000, -0.0001420800000000, 0.0002683800000000 ] - [ 0.0012260200000000, -0.0000580100000000, 0.0001350100000000 ] - [ 0.0011853900000000, 0.0001407500000000, 0.0002677100000000 ] - [ 0.0014036800000000, 0.0000015700000000, 0.0002122900000000 ] - [ 0.0008466100000000, -0.0000509400000000, 0.0001986300000000 ] - [ 0.0009845500000000, -0.0000023700000000, 0.0001743800000000 ] - [ 0.0013896100000000, 0.0000133300000000, 0.0001827900000000 ] - [ 0.0013177600000000, -0.0000011100000000, 0.0004632100000000 ] - [ 0.0012248700000000, 0.0000538900000000, 0.0001403700000000 ] - [ 0.0016228000000000, 0.0000029100000000, 0.0000724200000000 ] - [ 0.0014152500000000, 0.0000003900000000, -0.0000387200000000 ] - [ 0.0008454100000000, 0.0000520900000000, 0.0002002500000000 ] - [ 0.0007630900000000, -0.0000004100000000, 0.0003379300000000 ] - [ 0.0014470500000000, -0.0000322300000000, 0.0003005300000000 ] - [ 0.0016225300000000, -0.0000013700000000, 0.0003385400000000 ] - [ 0.0008059100000000, -0.0003076900000000, 0.0002650400000000 ] - [ 0.0008201100000000, 0.0003115200000000, 0.0002841700000000 ] - [ 0.0010903700000000, 0.0000316000000000, -0.0001309600000000 ] - [ 0.0013894200000000, -0.0000115300000000, 0.0001831900000000 ] - [ 0.0014428600000000, 0.0000379800000000, 0.0002936500000000 ] - [ 0.0030503800000000, 0.0001802000000000, 0.0004020000000000 ] - [ -0.0004381500000000, -0.0060111100000000, 0.0025875300000000 ] - [ -0.0735162500000000, 0.0484952000000000, -0.0270784500000000 ] - [ -0.0052051200000000, 0.0008452300000000, 0.0032776700000000 ] - [ 0.0026328400000000, -0.0000099700000000, 0.0005750900000000 ] - [ 0.0027935700000000, -0.0000000400000000, 0.0003195500000000 ] - [ 0.0035257300000000, -0.0000032900000000, 0.0006479100000000 ] - [ 0.0036789200000000, 0.0000057000000000, 0.0005489200000000 ] - [ 0.0022570300000000, -0.0000101900000000, 0.0003581000000000 ] - [ 0.0025861800000000, 0.0001633100000000, 0.0014165200000000 ] - [ 0.0023003700000000, -0.0000661500000000, 0.0004561600000000 ] - [ 0.0024720700000000, 0.0000017200000000, 0.0001493800000000 ] - [ -0.0022236300000000, -0.0000367200000000, -0.0007593600000000 ] - [ 0.1299148500000000, -0.0642678500000000, 0.0481626500000000 ] - [ 0.0081776400000000, -0.0027869400000000, 0.0032647200000000 ] - [ -0.0016831000000000, -0.0000261400000000, 0.0003758500000000 ] - [ -0.0017837300000000, -0.0002913300000000, 0.0004802900000000 ] - [ 0.0154925100000000, 0.0007748300000000, 0.0020009000000000 ] - [ -0.0017596500000000, 0.0002929300000000, 0.0003145500000000 ] - [ -0.0004670900000000, 0.0008433000000000, -0.0003194100000000 ] - [ -0.0016529500000000, -0.0025324200000000, -0.0026495200000000 ] - [ -0.0020329700000000, -0.0005942600000000, -0.0003116700000000 ] - [ 0.0046094800000000, 0.0016568000000000, 0.0003608500000000 ] - [ 0.0004031100000000, -0.0000804600000000, -0.0004914900000000 ] - [ -0.0024267600000000, 0.0005822300000000, -0.0002905700000000 ] - [ 0.0145385900000000, 0.0019002200000000, 0.0021966500000000 ] - [ -0.0013756800000000, 0.0027931200000000, -0.0006626100000000 ] - [ -0.0171946400000000, 0.0204014300000000, -0.0071092000000000 ] - [ -0.0022983100000000, 0.0000003600000000, -0.0010492500000000 ] - [ -0.0002265100000000, -0.0001070900000000, -0.0000217600000000 ] - [ -0.0019387600000000, 0.0037463400000000, -0.0023516300000000 ] - [ -0.0048015200000000, -0.0034631800000000, -0.0020010600000000 ] - [ -0.0020346100000000, -0.0000021500000000, -0.0007350400000000 ] - [ -0.0018320100000000, -0.0005126700000000, -0.0003270600000000 ] - [ -0.0023275400000000, -0.0000042800000000, -0.0005124700000000 ] - [ -0.0017727400000000, -0.0000009900000000, 0.0002122100000000 ] - [ -0.0020498500000000, -0.0003689400000000, 0.0004121600000000 ] - [ -0.0018349100000000, 0.0005148300000000, -0.0003252000000000 ] - [ -0.0017788600000000, 0.0002934500000000, 0.0004742800000000 ] - [ -0.0017089200000000, 0.0000021600000000, -0.0004994400000000 ] - [ -0.0020861000000000, -0.0000033100000000, -0.0002152900000000 ] - [ -0.0017346300000000, -0.0003140100000000, -0.0003181500000000 ] - [ -0.0025231600000000, -0.0006960500000000, -0.0001478800000000 ] - [ -0.0024436800000000, -0.0011072600000000, -0.0006517100000000 ] - [ -0.0017344300000000, 0.0003217600000000, -0.0003198200000000 ] - [ -0.0016639000000000, 0.0000038600000000, -0.0003124100000000 ] - [ -0.0025161000000000, 0.0006947900000000, -0.0001474700000000 ] - [ -0.0033841800000000, 0.0000035900000000, 0.0000645600000000 ] - [ -0.0025630300000000, -0.0000003400000000, -0.0011271100000000 ] - [ -0.0024419500000000, 0.0011033300000000, -0.0006490200000000 ] - [ -0.0013496200000000, 0.0000041200000000, -0.0004326800000000 ] - [ -0.0019262000000000, -0.0000030300000000, -0.0014726100000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000082400000000, -0.0001854400000000, -0.0000175500000000 ] - [ -0.0008819900000000, -0.0052978700000000, -0.0016619300000000 ] - [ -0.0000750200000000, 0.0001721600000000, -0.0000324800000000 ] - [ 0.0017442000000000, 0.0031399700000000, -0.0009219000000000 ] - [ 0.0000716000000000, -0.0006593800000000, -0.0002459000000000 ] - [ 0.0020711000000000, 0.0005314400000000, -0.0004734300000000 ] - [ -0.0034342600000000, -0.0031437900000000, -0.0012182100000000 ] - [ -0.0005928600000000, -0.0000086900000000, 0.0001195700000000 ] - [ -0.0016711900000000, 0.0103435900000000, 0.0003002600000000 ] - [ -0.0036225500000000, 0.0010937600000000, 0.0009631100000000 ] - [ 0.0024131700000000, -0.0060463700000000, -0.0044381500000000 ] - [ 0.0008409400000000, 0.0006045300000000, 0.0001492900000000 ] - [ 0.0003304900000000, 0.0000261200000000, 0.0002862600000000 ] - [ 0.0008058900000000, -0.0025391000000000, -0.0001101100000000 ] - [ 0.0014212600000000, 0.0001887100000000, 0.0016002100000000 ] - [ 0.0000996700000000, -0.0001630800000000, 0.0000879200000000 ] - [ 0.0000897500000000, 0.0001648500000000, 0.0000791500000000 ] - [ 0.0003481600000000, -0.0000019500000000, -0.0001417800000000 ] - [ 0.0007131900000000, 0.0065102800000000, 0.0002172000000000 ] - [ -0.0004209900000000, 0.0026061100000000, -0.0002462600000000 ] - [ 0.0000783400000000, -0.0000753700000000, 0.0000759400000000 ] - [ 0.0000390600000000, -0.0000263600000000, -0.0000702700000000 ] - [ 0.0000790000000000, 0.0000743300000000, 0.0000783300000000 ] - [ 0.0003749300000000, 0.0000031300000000, 0.0000509400000000 ] - [ 0.0001316500000000, 0.0001001300000000, 0.0000026800000000 ] - [ -0.0000427300000000, -0.0000029400000000, 0.0000048000000000 ] - [ 0.0002716100000000, 0.0000670700000000, -0.0000149300000000 ] - [ 0.0000492500000000, -0.0000000800000000, 0.0002255100000000 ] - [ 0.0000498000000000, 0.0000197700000000, -0.0000579500000000 ] - [ 0.0003593700000000, 0.0000028600000000, -0.0001572500000000 ] - [ 0.0001068600000000, 0.0000006000000000, -0.0001679600000000 ] - [ 0.0001307100000000, -0.0001004500000000, 0.0000029400000000 ] - [ -0.0000708700000000, 0.0000003200000000, 0.0001873300000000 ] - [ 0.0003348300000000, 0.0000143300000000, 0.0001315100000000 ] - [ 0.0003179400000000, -0.0000019800000000, 0.0002092400000000 ] - [ 0.0001034100000000, -0.0001367500000000, 0.0000564900000000 ] - [ 0.0001023500000000, 0.0001329400000000, 0.0000605100000000 ] - [ 0.0005164000000000, 0.0000144400000000, -0.0000716200000000 ] - [ 0.0002695700000000, -0.0000644700000000, -0.0000134400000000 ] - [ 0.0003110700000000, -0.0000039800000000, 0.0001163500000000 ] - [ 0.0006731400000000, 0.0000832900000000, 0.0001340400000000 ] - [ 0.0009979100000000, -0.0037959100000000, 0.0024107800000000 ] - [ -0.0537688400000000, 0.1436937700000000, -0.0561969300000000 ] - [ -0.0070403700000000, -0.0008749600000000, -0.0027254800000000 ] - [ 0.0003644800000000, -0.0000143000000000, 0.0002475300000000 ] - [ 0.0004439800000000, 0.0000007500000000, -0.0000832800000000 ] - [ 0.0004249300000000, -0.0000038800000000, 0.0001354800000000 ] - [ 0.0005755200000000, 0.0000076000000000, 0.0000296600000000 ] - [ 0.0002156300000000, -0.0000038000000000, 0.0001261900000000 ] - [ 0.0000919900000000, 0.0001236600000000, -0.0009663900000000 ] - [ 0.0002046900000000, -0.0000270400000000, 0.0001142800000000 ] - [ 0.0004361500000000, 0.0000008700000000, -0.0001198900000000 ] - [ -0.0005094700000000, -0.0000138400000000, -0.0002207400000000 ] - [ 0.0655250900000000, -0.2073659600000000, 0.0824542600000000 ] - [ 0.0071488800000000, 0.0053752200000000, -0.0015588600000000 ] - [ -0.0003909600000000, -0.0000212400000000, 0.0003568000000000 ] - [ -0.0002464800000000, -0.0002892500000000, 0.0000752600000000 ] - [ 0.0003133200000000, 0.0429378300000000, -0.0018136900000000 ] - [ -0.0002358600000000, -0.0000835400000000, 0.0000982200000000 ] - [ -0.0003357800000000, 0.0005661000000000, -0.0005153100000000 ] - [ 0.0048755800000000, 0.0022165400000000, 0.0018304000000000 ] - [ -0.0001455500000000, -0.0010054500000000, -0.0001443400000000 ] - [ 0.0013524100000000, 0.0026344800000000, 0.0003548100000000 ] - [ 0.0004227100000000, 0.0019643100000000, 0.0006317900000000 ] - [ -0.0002686000000000, 0.0010355700000000, -0.0001713100000000 ] - [ -0.0026220500000000, 0.0034762300000000, -0.0125400900000000 ] - [ -0.0031517900000000, -0.0017604300000000, -0.0009968600000000 ] - [ -0.0141773900000000, 0.0035530000000000, -0.0039185600000000 ] - [ -0.0004579300000000, 0.0000165400000000, 0.0000888000000000 ] - [ 0.0006094900000000, -0.0015781200000000, 0.0002962400000000 ] - [ -0.0026811200000000, 0.0021985100000000, -0.0022935700000000 ] - [ 0.0035885500000000, -0.0007781200000000, 0.0007641400000000 ] - [ -0.0005723700000000, 0.0000085200000000, -0.0002264400000000 ] - [ 0.0000064500000000, -0.0007660300000000, 0.0000929700000000 ] - [ 0.0001324000000000, -0.0000039800000000, -0.0003198200000000 ] - [ -0.0004255500000000, 0.0000140200000000, 0.0002957200000000 ] - [ -0.0003653600000000, 0.0000706300000000, 0.0001711200000000 ] - [ 0.0000042300000000, 0.0007691100000000, 0.0000954100000000 ] - [ -0.0002449100000000, 0.0002900100000000, 0.0000715100000000 ] - [ -0.0000506800000000, 0.0000021100000000, 0.0000431200000000 ] - [ -0.0004721300000000, -0.0000038700000000, 0.0000135300000000 ] - [ 0.0000862300000000, -0.0004544800000000, -0.0001214400000000 ] - [ -0.0006967400000000, -0.0005318300000000, 0.0000526200000000 ] - [ -0.0006012000000000, -0.0008536400000000, -0.0002329700000000 ] - [ 0.0000879300000000, 0.0004653200000000, -0.0001248500000000 ] - [ -0.0000480600000000, 0.0000035600000000, -0.0000865100000000 ] - [ -0.0006892500000000, 0.0005303100000000, 0.0000531600000000 ] - [ -0.0009248300000000, 0.0000037900000000, 0.0002565100000000 ] - [ -0.0005991000000000, -0.0000142400000000, 0.0000722600000000 ] - [ -0.0005972800000000, 0.0008481300000000, -0.0002282200000000 ] - [ -0.0000107800000000, 0.0000041900000000, -0.0003392400000000 ] - [ -0.0000060900000000, -0.0000034400000000, -0.0003662300000000 ]- atom: 54 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002000500000000, 0.0000360800000000, 0.0001058600000000 ] - [ 0.0006240300000000, 0.0052937600000000, 0.0014437700000000 ] - [ -0.0001289400000000, -0.0000270000000000, 0.0001216100000000 ] - [ -0.0018007100000000, -0.0038242300000000, 0.0010476100000000 ] - [ -0.0000388500000000, 0.0009019800000000, 0.0001786900000000 ] - [ -0.0025047200000000, -0.0005234100000000, 0.0004314700000000 ] - [ 0.0035942300000000, 0.0033184500000000, 0.0011101000000000 ] - [ 0.0002856800000000, 0.0000027300000000, 0.0002646300000000 ] - [ 0.0014498400000000, -0.0103570000000000, -0.0005427600000000 ] - [ 0.0039313300000000, -0.0010513600000000, -0.0013475100000000 ] - [ -0.0025695000000000, 0.0058097600000000, 0.0039477500000000 ] - [ -0.0008024200000000, -0.0008475100000000, -0.0002075700000000 ] - [ -0.0007541200000000, -0.0000257300000000, 0.0000508400000000 ] - [ -0.0005388400000000, 0.0025770300000000, 0.0003001500000000 ] - [ -0.0012177700000000, -0.0001912800000000, -0.0012272800000000 ] - [ -0.0001247600000000, -0.0000820300000000, -0.0000302200000000 ] - [ -0.0001147600000000, 0.0000814200000000, -0.0000212100000000 ] - [ 0.0000736900000000, -0.0000016600000000, -0.0001808300000000 ] - [ -0.0006912100000000, -0.0066985200000000, -0.0003870200000000 ] - [ 0.0006693600000000, -0.0026387200000000, 0.0004126700000000 ] - [ -0.0002645100000000, -0.0000697700000000, 0.0000118400000000 ] - [ -0.0003279200000000, -0.0000121000000000, -0.0001275500000000 ] - [ -0.0002647700000000, 0.0000683900000000, 0.0000148400000000 ] - [ 0.0000427100000000, 0.0000020200000000, -0.0000039700000000 ] - [ -0.0001021800000000, 0.0001446500000000, -0.0000617300000000 ] - [ -0.0003722900000000, -0.0000042400000000, -0.0000526500000000 ] - [ -0.0000868400000000, 0.0000814700000000, -0.0000783800000000 ] - [ -0.0003497500000000, -0.0000012900000000, 0.0001612000000000 ] - [ -0.0003118600000000, 0.0000032200000000, -0.0001126100000000 ] - [ -0.0000484200000000, 0.0000027500000000, -0.0002283200000000 ] - [ -0.0003153900000000, 0.0000005200000000, -0.0002099800000000 ] - [ -0.0001015700000000, -0.0001457700000000, -0.0000617000000000 ] - [ -0.0003501200000000, 0.0000015900000000, 0.0001367700000000 ] - [ -0.0000403600000000, 0.0000250700000000, 0.0000697100000000 ] - [ -0.0001079100000000, -0.0000015600000000, 0.0001687300000000 ] - [ -0.0001334900000000, -0.0001099300000000, 0.0000128500000000 ] - [ -0.0001485000000000, 0.0001000700000000, -0.0000001200000000 ] - [ -0.0000910800000000, -0.0000194800000000, -0.0002629500000000 ] - [ -0.0000891700000000, -0.0000793600000000, -0.0000769700000000 ] - [ -0.0000715000000000, -0.0000111400000000, 0.0000504800000000 ] - [ -0.0007957700000000, -0.0000866700000000, 0.0001667500000000 ] - [ -0.0008750500000000, 0.0037487000000000, -0.0027350900000000 ] - [ 0.0495507000000000, -0.1365107600000000, 0.0519632700000000 ] - [ 0.0072196200000000, 0.0008742800000000, 0.0026379100000000 ] - [ -0.0004939300000000, -0.0000080500000000, 0.0000459700000000 ] - [ -0.0003179000000000, 0.0000005900000000, -0.0002146700000000 ] - [ -0.0005782300000000, -0.0000032100000000, -0.0000317900000000 ] - [ -0.0004218900000000, 0.0000065300000000, -0.0001342800000000 ] - [ -0.0004309000000000, 0.0000037400000000, 0.0001952200000000 ] - [ 0.0001243700000000, -0.0001196400000000, 0.0006495100000000 ] - [ -0.0004152700000000, 0.0000298000000000, 0.0002059000000000 ] - [ -0.0002174100000000, -0.0000009100000000, -0.0002011400000000 ] - [ 0.0000665300000000, 0.0000123300000000, -0.0000372900000000 ] - [ -0.0600517800000000, 0.1990939200000000, -0.0774062400000000 ] - [ -0.0061389000000000, -0.0053568500000000, 0.0009868100000000 ] - [ -0.0000241300000000, 0.0000198200000000, 0.0002876400000000 ] - [ 0.0002491000000000, -0.0002898900000000, -0.0000740500000000 ] - [ 0.0002609200000000, -0.0408047300000000, 0.0021049500000000 ] - [ 0.0002536600000000, 0.0006548600000000, -0.0000835700000000 ] - [ 0.0007748200000000, -0.0005679600000000, 0.0007746900000000 ] - [ -0.0053266100000000, -0.0022115700000000, -0.0017413600000000 ] - [ 0.0009330600000000, 0.0000007000000000, -0.0000301200000000 ] - [ -0.0021255600000000, -0.0036491700000000, -0.0001755400000000 ] - [ -0.0010298400000000, -0.0035907100000000, -0.0009575900000000 ] - [ 0.0010651400000000, -0.0000280100000000, -0.0000017100000000 ] - [ 0.0030132100000000, -0.0035688900000000, 0.0123543000000000 ] - [ 0.0023207900000000, 0.0028298300000000, 0.0011671400000000 ] - [ 0.0130665700000000, -0.0036327100000000, 0.0044636200000000 ] - [ -0.0001511000000000, -0.0000147200000000, 0.0002867300000000 ] - [ -0.0012146600000000, 0.0032008600000000, -0.0006230000000000 ] - [ 0.0031339400000000, -0.0021930400000000, 0.0016695900000000 ] - [ -0.0029944700000000, 0.0007709100000000, -0.0011440600000000 ] - [ 0.0001391000000000, 0.0000168600000000, -0.0000236400000000 ] - [ 0.0005991600000000, -0.0008480700000000, 0.0002286300000000 ] - [ 0.0009204800000000, -0.0000034100000000, -0.0002569300000000 ] - [ 0.0000165400000000, 0.0000181200000000, 0.0003469800000000 ] - [ 0.0003419500000000, -0.0006482800000000, -0.0001836100000000 ] - [ 0.0005974500000000, 0.0008506500000000, 0.0002304700000000 ] - [ 0.0002430200000000, 0.0002886700000000, -0.0000738600000000 ] - [ 0.0004910500000000, 0.0000020300000000, 0.0002150800000000 ] - [ 0.0000496900000000, -0.0000033300000000, 0.0000844500000000 ] - [ 0.0006982300000000, -0.0005415700000000, -0.0000465200000000 ] - [ -0.0001034100000000, -0.0004779200000000, 0.0001176700000000 ] - [ -0.0000088700000000, -0.0007670000000000, -0.0000953100000000 ] - [ 0.0007052500000000, 0.0005494800000000, -0.0000505000000000 ] - [ 0.0004709000000000, 0.0000029100000000, -0.0000100800000000 ] - [ -0.0000967300000000, 0.0004762200000000, 0.0001189300000000 ] - [ -0.0001257600000000, 0.0000033700000000, 0.0003181000000000 ] - [ 0.0000018000000000, -0.0000180500000000, 0.0002999700000000 ] - [ -0.0000056900000000, 0.0007619100000000, -0.0000914900000000 ] - [ 0.0004213500000000, 0.0000033500000000, -0.0003067700000000 ] - [ 0.0006088400000000, -0.0000031700000000, -0.0000102900000000 ]- atom: 54 displacement: [ -0.0016676867133328, 0.0000000000000000, 0.0098599604982055 ] forces: - [ -0.0002398500000000, -0.0000847600000000, 0.0000065200000000 ] - [ 0.0018080400000000, 0.0008402900000000, -0.0017342800000000 ] - [ -0.0001631900000000, 0.0000917500000000, 0.0000464200000000 ] - [ -0.0004877000000000, 0.0004368600000000, 0.0054808100000000 ] - [ 0.0000215400000000, 0.0002669600000000, -0.0000071900000000 ] - [ 0.0000398500000000, -0.0017547100000000, -0.0020094600000000 ] - [ -0.0002395300000000, -0.0003941300000000, 0.0004238500000000 ] - [ -0.0002857400000000, 0.0000478300000000, 0.0001767400000000 ] - [ -0.0005637500000000, -0.0021157200000000, 0.0090111000000000 ] - [ 0.0039979400000000, 0.0015241600000000, -0.0020695900000000 ] - [ 0.0016106700000000, -0.0036989700000000, 0.0008791700000000 ] - [ -0.0000986400000000, -0.0002478400000000, -0.0001772800000000 ] - [ -0.0003444800000000, -0.0000086600000000, 0.0001637100000000 ] - [ 0.0001229300000000, 0.0000217100000000, -0.0001589900000000 ] - [ -0.0002547900000000, 0.0000119000000000, 0.0003334200000000 ] - [ -0.0000690900000000, -0.0001140100000000, 0.0000166300000000 ] - [ -0.0000563500000000, 0.0001128800000000, 0.0000247400000000 ] - [ 0.0001556000000000, -0.0000015600000000, -0.0001704100000000 ] - [ 0.0043804800000000, 0.0000610200000000, 0.0072516800000000 ] - [ 0.0007990200000000, -0.0000268700000000, 0.0005145400000000 ] - [ -0.0001849600000000, -0.0000737900000000, 0.0000276200000000 ] - [ -0.0002070200000000, -0.0000107600000000, -0.0001055000000000 ] - [ -0.0001815800000000, 0.0000718500000000, 0.0000288000000000 ] - [ 0.0001400200000000, 0.0000010200000000, 0.0000093900000000 ] - [ -0.0000348000000000, 0.0001300300000000, -0.0000442700000000 ] - [ -0.0002812300000000, -0.0000030000000000, -0.0000336800000000 ] - [ 0.0000297500000000, 0.0000791300000000, -0.0000560000000000 ] - [ -0.0002457500000000, -0.0000028800000000, 0.0001793900000000 ] - [ -0.0001888600000000, 0.0000028000000000, -0.0000899500000000 ] - [ 0.0000745500000000, 0.0000026300000000, -0.0002074800000000 ] - [ -0.0001909500000000, -0.0000002400000000, -0.0001977300000000 ] - [ -0.0000349400000000, -0.0001297100000000, -0.0000445900000000 ] - [ -0.0002705600000000, 0.0000017100000000, 0.0001555500000000 ] - [ 0.0000689500000000, 0.0000217000000000, 0.0000882800000000 ] - [ 0.0000098500000000, -0.0000006000000000, 0.0001810000000000 ] - [ -0.0000637800000000, -0.0001177800000000, 0.0000277500000000 ] - [ -0.0000741100000000, 0.0001133300000000, 0.0000180500000000 ] - [ 0.0001097000000000, -0.0000088900000000, -0.0002021000000000 ] - [ 0.0000289000000000, -0.0000767400000000, -0.0000559400000000 ] - [ 0.0000251500000000, -0.0000043100000000, 0.0000633800000000 ] - [ -0.0002034600000000, -0.0000586300000000, 0.0001003800000000 ] - [ -0.0009433000000000, 0.0016653400000000, -0.0001843600000000 ] - [ 0.0143318400000000, -0.0427344100000000, 0.0582278400000000 ] - [ 0.0008551200000000, -0.0001786800000000, -0.0007484400000000 ] - [ -0.0002481000000000, -0.0000073100000000, 0.0001021400000000 ] - [ -0.0000977500000000, 0.0000017500000000, -0.0001723400000000 ] - [ -0.0002897900000000, -0.0000024800000000, 0.0000168500000000 ] - [ -0.0001390100000000, 0.0000054900000000, -0.0000875900000000 ] - [ -0.0002540100000000, 0.0000014600000000, 0.0001297300000000 ] - [ -0.0000476100000000, -0.0000984600000000, -0.0000143200000000 ] - [ -0.0002668600000000, 0.0000000000000000, 0.0001647200000000 ] - [ -0.0000280600000000, -0.0000014900000000, -0.0001780200000000 ] - [ -0.0001031000000000, 0.0000083700000000, -0.0000976200000000 ] - [ -0.0248027200000000, 0.0671365000000000, -0.1108613900000000 ] - [ -0.0030019000000000, -0.0031100800000000, 0.0088593900000000 ] - [ -0.0001180400000000, 0.0000218700000000, 0.0003400400000000 ] - [ 0.0001118200000000, -0.0002970800000000, -0.0000244600000000 ] - [ 0.0010437000000000, 0.0026892400000000, -0.0059773300000000 ] - [ 0.0001375600000000, 0.0003628400000000, -0.0000070300000000 ] - [ 0.0007188100000000, -0.0004254700000000, 0.0001154900000000 ] - [ 0.0001261800000000, 0.0006451100000000, -0.0003220000000000 ] - [ 0.0004291800000000, -0.0005143800000000, -0.0000572300000000 ] - [ -0.0015536800000000, -0.0012820200000000, 0.0006300700000000 ] - [ 0.0001310300000000, -0.0014771800000000, -0.0003198800000000 ] - [ 0.0005183200000000, 0.0005816300000000, -0.0000527000000000 ] - [ 0.0036893200000000, -0.0186612000000000, 0.0299031800000000 ] - [ 0.0003194300000000, -0.0005069100000000, 0.0100575100000000 ] - [ -0.0015040000000000, 0.0006710300000000, -0.0064861200000000 ] - [ -0.0001456900000000, -0.0000182900000000, 0.0002740600000000 ] - [ -0.0004360900000000, 0.0011114000000000, 0.0002603600000000 ] - [ 0.0008402100000000, -0.0004310900000000, -0.0001517200000000 ] - [ -0.0002273300000000, -0.0000047000000000, -0.0015660500000000 ] - [ -0.0000566800000000, 0.0000214900000000, -0.0000827700000000 ] - [ 0.0004298900000000, -0.0008268500000000, 0.0001902300000000 ] - [ 0.0006972800000000, -0.0000068100000000, -0.0002772900000000 ] - [ -0.0001124300000000, 0.0000213700000000, 0.0003364300000000 ] - [ 0.0000974700000000, -0.0003752900000000, -0.0000583800000000 ] - [ 0.0004268900000000, 0.0008298800000000, 0.0001953100000000 ] - [ 0.0001053300000000, 0.0002966100000000, -0.0000262400000000 ] - [ 0.0003224900000000, 0.0000022400000000, 0.0001680600000000 ] - [ -0.0000978000000000, -0.0000071600000000, 0.0000661400000000 ] - [ 0.0005182300000000, -0.0005105000000000, -0.0000691900000000 ] - [ -0.0002697900000000, -0.0004880400000000, 0.0000998800000000 ] - [ -0.0001791900000000, -0.0007936300000000, -0.0001381500000000 ] - [ 0.0005252300000000, 0.0005201900000000, -0.0000726000000000 ] - [ 0.0003212000000000, 0.0000062600000000, -0.0000334700000000 ] - [ -0.0002592600000000, 0.0004859300000000, 0.0001023000000000 ] - [ -0.0003566300000000, 0.0000073800000000, 0.0003031800000000 ] - [ -0.0001775700000000, -0.0000258200000000, 0.0002406400000000 ] - [ -0.0001749700000000, 0.0007875300000000, -0.0001298100000000 ] - [ 0.0003006300000000, 0.0000040800000000, -0.0003203800000000 ] - [ 0.0004363500000000, -0.0000046700000000, -0.0001111600000000 ]- atom: 54 displacement: [ 0.0016676867133328, 0.0000000000000000, -0.0098599604982055 ] forces: - [ 0.0000240500000000, -0.0000681600000000, 0.0000780700000000 ] - [ -0.0020402100000000, -0.0008737900000000, 0.0015747100000000 ] - [ -0.0000503100000000, 0.0000560600000000, 0.0000390600000000 ] - [ 0.0009064900000000, -0.0004397500000000, -0.0054221800000000 ] - [ 0.0000124800000000, -0.0000222800000000, -0.0000552200000000 ] - [ -0.0004301400000000, 0.0017392700000000, 0.0019855300000000 ] - [ 0.0004778900000000, 0.0005470600000000, -0.0004888700000000 ] - [ -0.0000429600000000, -0.0000541700000000, 0.0002081000000000 ] - [ 0.0000833300000000, 0.0020496100000000, -0.0077246000000000 ] - [ -0.0036863300000000, -0.0015341400000000, 0.0016548300000000 ] - [ -0.0017425300000000, 0.0035959700000000, -0.0013905500000000 ] - [ 0.0001277500000000, 0.0000006500000000, 0.0001117700000000 ] - [ -0.0000810600000000, 0.0000101800000000, 0.0001783700000000 ] - [ 0.0000970200000000, 0.0000105700000000, 0.0003382100000000 ] - [ 0.0004510200000000, -0.0000144800000000, 0.0000306400000000 ] - [ 0.0000365700000000, -0.0001285500000000, 0.0000400100000000 ] - [ 0.0000253500000000, 0.0001299700000000, 0.0000331500000000 ] - [ 0.0002616800000000, -0.0000023300000000, -0.0001495800000000 ] - [ -0.0041636600000000, -0.0002174400000000, -0.0073886900000000 ] - [ -0.0005727600000000, -0.0000004800000000, -0.0003422300000000 ] - [ -0.0000402100000000, -0.0000774700000000, 0.0000500900000000 ] - [ -0.0000355200000000, -0.0000143200000000, -0.0000713300000000 ] - [ -0.0000411600000000, 0.0000764900000000, 0.0000524900000000 ] - [ 0.0002803700000000, 0.0000008600000000, 0.0000299400000000 ] - [ 0.0000659600000000, 0.0001121100000000, -0.0000156000000000 ] - [ -0.0001417400000000, -0.0000012400000000, -0.0000095200000000 ] - [ 0.0001857100000000, 0.0000749200000000, -0.0000270900000000 ] - [ -0.0000821300000000, -0.0000026500000000, 0.0002086100000000 ] - [ -0.0000384400000000, 0.0000126600000000, -0.0000695800000000 ] - [ 0.0002500200000000, 0.0000033300000000, -0.0001815800000000 ] - [ -0.0000104700000000, 0.0000000900000000, -0.0001830200000000 ] - [ 0.0000658900000000, -0.0001119200000000, -0.0000156100000000 ] - [ -0.0001510000000000, 0.0000009000000000, 0.0001675000000000 ] - [ 0.0001826000000000, 0.0000074800000000, 0.0000919200000000 ] - [ 0.0001873300000000, -0.0000000900000000, 0.0001989400000000 ] - [ 0.0000355100000000, -0.0001288600000000, 0.0000387300000000 ] - [ 0.0000331900000000, 0.0001301800000000, 0.0000361800000000 ] - [ 0.0003070100000000, 0.0000030100000000, -0.0001229300000000 ] - [ 0.0001849300000000, -0.0000724400000000, -0.0000268600000000 ] - [ 0.0001863600000000, -0.0000042600000000, 0.0000900200000000 ] - [ 0.0000749600000000, 0.0000554600000000, 0.0001939100000000 ] - [ 0.0010350500000000, -0.0016290400000000, -0.0000903500000000 ] - [ -0.0149802200000000, 0.0436109500000000, -0.0579469300000000 ] - [ -0.0006344600000000, 0.0001864900000000, 0.0006107300000000 ] - [ 0.0001173900000000, -0.0000039100000000, 0.0001872700000000 ] - [ 0.0002178000000000, 0.0000013200000000, -0.0001214100000000 ] - [ 0.0001311700000000, -0.0000011600000000, 0.0000839800000000 ] - [ 0.0002856200000000, 0.0000024100000000, -0.0000167100000000 ] - [ 0.0000278700000000, -0.0000014100000000, 0.0001820800000000 ] - [ 0.0002631000000000, 0.0001020700000000, -0.0002840300000000 ] - [ 0.0000468200000000, -0.0000062300000000, 0.0001459700000000 ] - [ 0.0002473500000000, 0.0000004000000000, -0.0001359800000000 ] - [ -0.0003362500000000, -0.0000100000000000, -0.0001687800000000 ] - [ 0.0260804800000000, -0.0694696300000000, 0.1099524400000000 ] - [ 0.0039708000000000, 0.0030244900000000, -0.0094238500000000 ] - [ -0.0002969300000000, -0.0000257600000000, 0.0003238900000000 ] - [ -0.0001047700000000, -0.0002827300000000, 0.0000252900000000 ] - [ -0.0004396000000000, -0.0011884100000000, 0.0063120700000000 ] - [ -0.0001159700000000, 0.0002079200000000, 0.0000223100000000 ] - [ -0.0002601800000000, 0.0004116100000000, 0.0001484600000000 ] - [ -0.0005374300000000, -0.0006474400000000, 0.0004325700000000 ] - [ 0.0003691600000000, -0.0004865500000000, -0.0001158200000000 ] - [ 0.0007565500000000, 0.0002695300000000, -0.0004592100000000 ] - [ -0.0007476400000000, -0.0001433600000000, -0.0000077200000000 ] - [ 0.0002930800000000, 0.0004221100000000, -0.0001194800000000 ] - [ -0.0033961600000000, 0.0190293000000000, -0.0303122600000000 ] - [ -0.0010109500000000, 0.0014784600000000, -0.0098468500000000 ] - [ 0.0005553200000000, -0.0007458100000000, 0.0070934900000000 ] - [ -0.0004569200000000, 0.0000223300000000, 0.0001017100000000 ] - [ -0.0001838700000000, 0.0005016500000000, -0.0005803400000000 ] - [ -0.0004240100000000, 0.0004229700000000, -0.0005317600000000 ] - [ 0.0008053100000000, 0.0000093700000000, 0.0011871400000000 ] - [ -0.0003808900000000, 0.0000075400000000, -0.0001775700000000 ] - [ 0.0001746600000000, -0.0007852300000000, 0.0001296600000000 ] - [ 0.0003497000000000, -0.0000050900000000, -0.0003002100000000 ] - [ -0.0002952500000000, 0.0000145300000000, 0.0003248300000000 ] - [ -0.0001189600000000, -0.0002031300000000, 0.0000438200000000 ] - [ 0.0001724000000000, 0.0007870000000000, 0.0001334000000000 ] - [ -0.0001035000000000, 0.0002830000000000, 0.0000240900000000 ] - [ 0.0001201000000000, 0.0000013500000000, 0.0000979900000000 ] - [ -0.0003149700000000, -0.0000037500000000, 0.0000205900000000 ] - [ 0.0002770100000000, -0.0004856200000000, -0.0000988600000000 ] - [ -0.0005347000000000, -0.0005180500000000, 0.0000685700000000 ] - [ -0.0004229900000000, -0.0008217400000000, -0.0001924000000000 ] - [ 0.0002788900000000, 0.0004910400000000, -0.0001005600000000 ] - [ 0.0000976000000000, 0.0000050900000000, -0.0000512500000000 ] - [ -0.0005284100000000, 0.0005173500000000, 0.0000694200000000 ] - [ -0.0006801300000000, 0.0000038400000000, 0.0002723900000000 ] - [ -0.0004164900000000, -0.0000176900000000, 0.0001357800000000 ] - [ -0.0004201800000000, 0.0008189200000000, -0.0001880100000000 ] - [ 0.0001113900000000, 0.0000034600000000, -0.0003435700000000 ] - [ 0.0001643900000000, -0.0000027900000000, -0.0002617900000000 ]- atom: 55 displacement: [ 0.0099999817982353, 0.0000000000000000, 0.0000190797002540 ] forces: - [ -0.0024256200000000, 0.0002558200000000, -0.0008570800000000 ] - [ 0.0157020400000000, -0.0094319400000000, -0.0011935100000000 ] - [ -0.0024256200000000, -0.0002558200000000, -0.0008570800000000 ] - [ 0.0158294200000000, 0.0000000000000000, 0.0041038100000000 ] - [ -0.0009963000000000, 0.0005012600000000, -0.0006364400000000 ] - [ 0.0091928900000000, 0.0000000000000000, 0.0004523800000000 ] - [ 0.0000498700000000, 0.0010678400000000, 0.0009836300000000 ] - [ -0.0020849400000000, 0.0000000000000000, 0.0002501100000000 ] - [ 0.0157020400000000, 0.0094319400000000, -0.0011935100000000 ] - [ 0.0014886200000000, 0.0000000000000000, -0.0010613300000000 ] - [ 0.0081958600000000, 0.0000000000000000, 0.0000163100000000 ] - [ -0.0009963000000000, -0.0005012600000000, -0.0006364400000000 ] - [ -0.0015257300000000, 0.0000000000000000, 0.0000044400000000 ] - [ 0.0031049800000000, -0.0031256900000000, -0.0011925400000000 ] - [ 0.0015751600000000, 0.0000000000000000, 0.0040086300000000 ] - [ -0.0012043000000000, 0.0001144700000000, -0.0001368500000000 ] - [ -0.0012043000000000, -0.0001144700000000, -0.0001368500000000 ] - [ -0.0011117300000000, 0.0000000000000000, -0.0004272900000000 ] - [ 0.0000498700000000, -0.0010678400000000, 0.0009836300000000 ] - [ 0.0031049800000000, 0.0031256900000000, -0.0011925400000000 ] - [ -0.0018182300000000, 0.0000064200000000, -0.0002609600000000 ] - [ -0.0018999500000000, 0.0000496200000000, -0.0003717900000000 ] - [ -0.0018182300000000, -0.0000064200000000, -0.0002609600000000 ] - [ -0.0013876300000000, 0.0000000000000000, -0.0002344200000000 ] - [ -0.0010943300000000, 0.0003574300000000, -0.0003411300000000 ] - [ -0.0018068500000000, 0.0000000000000000, -0.0002799000000000 ] - [ -0.0016159900000000, 0.0001599600000000, -0.0003436500000000 ] - [ -0.0021203800000000, 0.0000000000000000, -0.0001571200000000 ] - [ -0.0018999500000000, -0.0000496200000000, -0.0003717900000000 ] - [ -0.0018044500000000, 0.0000000000000000, -0.0005508400000000 ] - [ -0.0021310100000000, 0.0000000000000000, -0.0003903500000000 ] - [ -0.0010943300000000, -0.0003574300000000, -0.0003411300000000 ] - [ -0.0015005500000000, 0.0000000000000000, -0.0000354000000000 ] - [ -0.0016710600000000, 0.0000706600000000, -0.0002091300000000 ] - [ -0.0019319300000000, 0.0000000000000000, -0.0000086900000000 ] - [ -0.0011317900000000, 0.0001086300000000, -0.0002691300000000 ] - [ -0.0011317900000000, -0.0001086300000000, -0.0002691300000000 ] - [ -0.0011265500000000, 0.0000000000000000, -0.0004445000000000 ] - [ -0.0016159900000000, -0.0001599600000000, -0.0003436500000000 ] - [ -0.0016710600000000, -0.0000706600000000, -0.0002091300000000 ] - [ -0.0026965700000000, 0.0000000000000000, -0.0012524900000000 ] - [ -0.0065388700000000, 0.0000000000000000, 0.0004846400000000 ] - [ 0.0236601000000000, 0.0000000000000000, 0.0037757500000000 ] - [ 0.2243599900000000, 0.0000000000000000, -0.0226590200000000 ] - [ -0.0037298500000000, 0.0000000000000000, -0.0004950100000000 ] - [ -0.0035875000000000, 0.0000000000000000, -0.0007664800000000 ] - [ -0.0048913300000000, 0.0000000000000000, -0.0007479500000000 ] - [ -0.0047372400000000, 0.0000000000000000, -0.0008494200000000 ] - [ -0.0032644800000000, 0.0000000000000000, -0.0005268300000000 ] - [ -0.0030094000000000, 0.0000000000000000, 0.0003012800000000 ] - [ -0.0032488200000000, 0.0000000000000000, -0.0002548700000000 ] - [ -0.0030641500000000, 0.0000000000000000, -0.0005624500000000 ] - [ 0.0020842300000000, 0.0000000000000000, 0.0007012300000000 ] - [ -0.0073403400000000, 0.0058350800000000, -0.0046732200000000 ] - [ -0.3215916600000000, 0.0000000000000000, 0.0353904200000000 ] - [ 0.0023110700000000, 0.0000000000000000, 0.0011680600000000 ] - [ 0.0024219500000000, -0.0002546200000000, -0.0005961000000000 ] - [ -0.0073403400000000, -0.0058350800000000, -0.0046732200000000 ] - [ 0.0023335000000000, 0.0002788200000000, -0.0007252800000000 ] - [ 0.0032167800000000, 0.0000000000000000, 0.0010398600000000 ] - [ 0.0046037500000000, 0.0000000000000000, -0.0135553700000000 ] - [ 0.0018778900000000, -0.0012168100000000, 0.0002995300000000 ] - [ 0.0064052900000000, -0.0042473200000000, 0.0006682800000000 ] - [ 0.0160736800000000, 0.0127023900000000, 0.0015623100000000 ] - [ 0.0018778900000000, 0.0012168100000000, 0.0002995300000000 ] - [ -0.0121049400000000, 0.0000000000000000, -0.0015435400000000 ] - [ 0.0064052900000000, 0.0042473200000000, 0.0006682800000000 ] - [ -0.0161600000000000, 0.0000000000000000, -0.0007169900000000 ] - [ 0.0031033400000000, 0.0000000000000000, 0.0019354900000000 ] - [ 0.0160736800000000, -0.0127023900000000, 0.0015623100000000 ] - [ 0.0018425600000000, 0.0000000000000000, -0.0010669500000000 ] - [ 0.0014209200000000, 0.0000000000000000, 0.0009670200000000 ] - [ 0.0023753800000000, 0.0000000000000000, 0.0007005400000000 ] - [ 0.0031505100000000, -0.0011935000000000, 0.0008054500000000 ] - [ 0.0043190300000000, 0.0000000000000000, 0.0000154400000000 ] - [ 0.0018708000000000, 0.0000000000000000, 0.0004855800000000 ] - [ 0.0023335000000000, -0.0002788200000000, -0.0007252800000000 ] - [ 0.0031505100000000, 0.0011935000000000, 0.0008054500000000 ] - [ 0.0024219500000000, 0.0002546200000000, -0.0005961000000000 ] - [ 0.0027768500000000, 0.0000000000000000, 0.0009697100000000 ] - [ 0.0023002500000000, 0.0000000000000000, 0.0003824700000000 ] - [ 0.0032453500000000, -0.0007675500000000, 0.0002297200000000 ] - [ 0.0024498600000000, -0.0002452400000000, 0.0004023200000000 ] - [ 0.0025567300000000, -0.0003982700000000, 0.0005008100000000 ] - [ 0.0032453500000000, 0.0007675500000000, 0.0002297200000000 ] - [ 0.0027080600000000, 0.0000000000000000, 0.0003206300000000 ] - [ 0.0024498600000000, 0.0002452400000000, 0.0004023200000000 ] - [ 0.0033124700000000, 0.0000000000000000, 0.0005804900000000 ] - [ 0.0026729400000000, 0.0000000000000000, 0.0018964400000000 ] - [ 0.0025567300000000, 0.0003982700000000, 0.0005008100000000 ] - [ 0.0022958200000000, 0.0000000000000000, -0.0001806900000000 ] - [ 0.0032928200000000, 0.0000000000000000, 0.0015266600000000 ]- atom: 55 displacement: [ -0.0099999817982353, 0.0000000000000000, -0.0000190797002540 ] forces: - [ 0.0022237700000000, -0.0004106600000000, 0.0009412000000000 ] - [ -0.0157132700000000, 0.0088799200000000, 0.0009405500000000 ] - [ 0.0022237700000000, 0.0004106600000000, 0.0009412000000000 ] - [ -0.0154435400000000, 0.0000000000000000, -0.0040479000000000 ] - [ 0.0010371500000000, -0.0002569100000000, 0.0005746600000000 ] - [ -0.0096898800000000, 0.0000000000000000, -0.0004965500000000 ] - [ 0.0001726800000000, -0.0009087300000000, -0.0010566500000000 ] - [ 0.0017615800000000, 0.0000000000000000, 0.0001389000000000 ] - [ -0.0157132700000000, -0.0088799200000000, 0.0009405500000000 ] - [ -0.0011473700000000, 0.0000000000000000, 0.0006644500000000 ] - [ -0.0081248800000000, 0.0000000000000000, -0.0000281300000000 ] - [ 0.0010371500000000, 0.0002569100000000, 0.0005746600000000 ] - [ 0.0011129000000000, 0.0000000000000000, 0.0003093100000000 ] - [ -0.0029119100000000, 0.0031512000000000, 0.0013555700000000 ] - [ -0.0013893700000000, 0.0000000000000000, -0.0036543200000000 ] - [ 0.0011722200000000, -0.0003609400000000, 0.0001969800000000 ] - [ 0.0011722200000000, 0.0003609400000000, 0.0001969800000000 ] - [ 0.0015328300000000, 0.0000000000000000, 0.0001099500000000 ] - [ 0.0001726800000000, 0.0009087300000000, -0.0010566500000000 ] - [ -0.0029119100000000, -0.0031512000000000, 0.0013555700000000 ] - [ 0.0016173900000000, -0.0001580500000000, 0.0003438300000000 ] - [ 0.0016744400000000, -0.0000717900000000, 0.0002108300000000 ] - [ 0.0016173900000000, 0.0001580500000000, 0.0003438300000000 ] - [ 0.0018106500000000, 0.0000000000000000, 0.0002778500000000 ] - [ 0.0011335400000000, -0.0001135100000000, 0.0002807100000000 ] - [ 0.0013895400000000, 0.0000000000000000, 0.0002411300000000 ] - [ 0.0018262100000000, -0.0000077500000000, 0.0002624200000000 ] - [ 0.0018040800000000, 0.0000000000000000, 0.0005517300000000 ] - [ 0.0016744400000000, 0.0000717900000000, 0.0002108300000000 ] - [ 0.0021293000000000, 0.0000000000000000, 0.0001586800000000 ] - [ 0.0019346000000000, 0.0000000000000000, 0.0000096000000000 ] - [ 0.0011335400000000, 0.0001135100000000, 0.0002807100000000 ] - [ 0.0010842300000000, 0.0000000000000000, 0.0003573000000000 ] - [ 0.0019048600000000, -0.0000492500000000, 0.0003711200000000 ] - [ 0.0021373500000000, 0.0000000000000000, 0.0003905700000000 ] - [ 0.0010961000000000, -0.0003529700000000, 0.0003312800000000 ] - [ 0.0010961000000000, 0.0003529700000000, 0.0003312800000000 ] - [ 0.0015465100000000, 0.0000000000000000, 0.0001259100000000 ] - [ 0.0018262100000000, 0.0000077500000000, 0.0002624200000000 ] - [ 0.0019048600000000, 0.0000492500000000, 0.0003711200000000 ] - [ 0.0025979000000000, 0.0000000000000000, 0.0015590200000000 ] - [ 0.0066353900000000, 0.0000000000000000, -0.0007813800000000 ] - [ -0.0239197300000000, 0.0000000000000000, -0.0036491400000000 ] - [ -0.2391865100000000, 0.0000000000000000, 0.0251976600000000 ] - [ 0.0036355800000000, 0.0000000000000000, 0.0007940700000000 ] - [ 0.0036989700000000, 0.0000000000000000, 0.0004689500000000 ] - [ 0.0047418000000000, 0.0000000000000000, 0.0008482000000000 ] - [ 0.0049056000000000, 0.0000000000000000, 0.0007518400000000 ] - [ 0.0030553300000000, 0.0000000000000000, 0.0008426700000000 ] - [ 0.0032311700000000, 0.0000000000000000, -0.0006079900000000 ] - [ 0.0030397000000000, 0.0000000000000000, 0.0005693500000000 ] - [ 0.0032867000000000, 0.0000000000000000, 0.0002495800000000 ] - [ -0.0025681100000000, 0.0000000000000000, -0.0009792000000000 ] - [ 0.0078964000000000, -0.0074298600000000, 0.0049474600000000 ] - [ 0.3376862900000000, 0.0000000000000000, -0.0388400500000000 ] - [ -0.0027511600000000, 0.0000000000000000, -0.0005086300000000 ] - [ -0.0024276900000000, -0.0003061200000000, 0.0005972600000000 ] - [ 0.0078964000000000, 0.0074298600000000, 0.0049474600000000 ] - [ -0.0023396800000000, 0.0002797900000000, 0.0007261500000000 ] - [ -0.0027408500000000, 0.0000000000000000, -0.0007635000000000 ] - [ -0.0050736200000000, 0.0000000000000000, 0.0138089500000000 ] - [ -0.0010877600000000, 0.0002069500000000, -0.0004783300000000 ] - [ -0.0071537800000000, 0.0031888100000000, -0.0004809900000000 ] - [ -0.0169500500000000, -0.0145407700000000, -0.0019121700000000 ] - [ -0.0010877600000000, -0.0002069500000000, -0.0004783300000000 ] - [ 0.0125091000000000, 0.0000000000000000, 0.0014641600000000 ] - [ -0.0071537800000000, -0.0031888100000000, -0.0004809900000000 ] - [ 0.0152407100000000, 0.0000000000000000, 0.0012852400000000 ] - [ -0.0037134900000000, 0.0000000000000000, -0.0015522100000000 ] - [ -0.0169500500000000, 0.0145407700000000, -0.0019121700000000 ] - [ -0.0014204300000000, 0.0000000000000000, 0.0003945100000000 ] - [ -0.0008354500000000, 0.0000000000000000, -0.0013619400000000 ] - [ -0.0028625400000000, 0.0000000000000000, -0.0009820400000000 ] - [ -0.0025663200000000, -0.0003865300000000, -0.0005087200000000 ] - [ -0.0033411400000000, 0.0000000000000000, -0.0005739800000000 ] - [ -0.0023037600000000, 0.0000000000000000, 0.0001832400000000 ] - [ -0.0023396800000000, -0.0002797900000000, 0.0007261500000000 ] - [ -0.0025663200000000, 0.0003865300000000, -0.0005087200000000 ] - [ -0.0024276900000000, 0.0003061200000000, 0.0005972600000000 ] - [ -0.0023019800000000, 0.0000000000000000, -0.0006949200000000 ] - [ -0.0027124300000000, 0.0000000000000000, -0.0003426700000000 ] - [ -0.0024619000000000, -0.0002419400000000, -0.0004075300000000 ] - [ -0.0032456100000000, -0.0007642300000000, -0.0002280300000000 ] - [ -0.0031540900000000, -0.0011814300000000, -0.0007996700000000 ] - [ -0.0024619000000000, 0.0002419400000000, -0.0004075300000000 ] - [ -0.0023075200000000, 0.0000000000000000, -0.0003621400000000 ] - [ -0.0032456100000000, 0.0007642300000000, -0.0002280300000000 ] - [ -0.0043045500000000, 0.0000000000000000, -0.0000254500000000 ] - [ -0.0032827800000000, 0.0000000000000000, -0.0015129100000000 ] - [ -0.0031540900000000, 0.0011814300000000, -0.0007996700000000 ] - [ -0.0018741000000000, 0.0000000000000000, -0.0004869400000000 ] - [ -0.0026980600000000, 0.0000000000000000, -0.0019166600000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012790200000000, 0.0003252000000000, -0.0005301200000000 ] - [ -0.0095404800000000, 0.0194257000000000, 0.0031966500000000 ] - [ 0.0010760900000000, 0.0004686200000000, 0.0006171200000000 ] - [ 0.0002249800000000, 0.0080334500000000, 0.0000487800000000 ] - [ 0.0002249900000000, 0.0001459800000000, 0.0001563300000000 ] - [ -0.0001757000000000, -0.0071770700000000, -0.0000118400000000 ] - [ 0.0011946700000000, -0.0001488500000000, -0.0000507100000000 ] - [ -0.0001605900000000, 0.0010288500000000, 0.0001881500000000 ] - [ 0.0101544000000000, 0.0204681800000000, -0.0035870200000000 ] - [ 0.0001469000000000, -0.0014023700000000, -0.0001962600000000 ] - [ -0.0000967200000000, 0.0065456800000000, -0.0001981700000000 ] - [ -0.0002003900000000, -0.0000988800000000, -0.0002181700000000 ] - [ -0.0002129200000000, -0.0000167800000000, 0.0001681900000000 ] - [ -0.0005210200000000, -0.0002064200000000, -0.0015866800000000 ] - [ 0.0001100600000000, -0.0025836200000000, 0.0001951400000000 ] - [ -0.0002123400000000, -0.0001387200000000, -0.0000522700000000 ] - [ 0.0001834400000000, 0.0001030200000000, 0.0001095600000000 ] - [ 0.0002083700000000, 0.0000078100000000, -0.0001615200000000 ] - [ -0.0010104100000000, -0.0002952300000000, -0.0000378900000000 ] - [ 0.0008184800000000, -0.0002129800000000, 0.0017764700000000 ] - [ -0.0000853400000000, -0.0000723700000000, 0.0000469500000000 ] - [ -0.0001651100000000, -0.0000248000000000, -0.0001071000000000 ] - [ -0.0000839600000000, 0.0000701400000000, 0.0000492300000000 ] - [ 0.0002071300000000, 0.0000011600000000, 0.0000204800000000 ] - [ 0.0000101300000000, 0.0001218900000000, -0.0000325100000000 ] - [ -0.0002110900000000, -0.0000036500000000, -0.0000236800000000 ] - [ 0.0000812500000000, 0.0000728400000000, -0.0000501600000000 ] - [ -0.0001528300000000, -0.0000009600000000, 0.0001920400000000 ] - [ -0.0001552300000000, 0.0000173000000000, -0.0000950800000000 ] - [ 0.0001506800000000, 0.0000024000000000, -0.0001932700000000 ] - [ -0.0001087800000000, -0.0000000300000000, -0.0001897800000000 ] - [ 0.0000134000000000, -0.0001226600000000, -0.0000282200000000 ] - [ -0.0002125700000000, 0.0000096300000000, 0.0001596400000000 ] - [ 0.0001587300000000, 0.0000234300000000, 0.0001061900000000 ] - [ 0.0001027400000000, -0.0000023000000000, 0.0001883300000000 ] - [ -0.0000122600000000, -0.0001227700000000, 0.0000379000000000 ] - [ -0.0000298400000000, 0.0001096000000000, 0.0000274700000000 ] - [ 0.0002089400000000, -0.0000265100000000, -0.0001610500000000 ] - [ 0.0000788400000000, -0.0000716100000000, -0.0000489500000000 ] - [ 0.0001320200000000, -0.0000135000000000, 0.0000894100000000 ] - [ -0.0000647600000000, -0.0016541900000000, 0.0001469000000000 ] - [ 0.0000524300000000, 0.0038863300000000, -0.0001474800000000 ] - [ -0.0000465800000000, -0.0111487400000000, 0.0000208300000000 ] - [ 0.0006552700000000, 0.0380178700000000, -0.0001285800000000 ] - [ -0.0000684900000000, -0.0000104300000000, 0.0001444500000000 ] - [ 0.0000549800000000, -0.0000000300000000, -0.0001492900000000 ] - [ -0.0000852000000000, -0.0000043900000000, 0.0000499200000000 ] - [ 0.0000700500000000, 0.0000073200000000, -0.0000538800000000 ] - [ -0.0001121700000000, 0.0000431000000000, 0.0001596800000000 ] - [ 0.0001008900000000, -0.0001573700000000, -0.0001584200000000 ] - [ -0.0001109800000000, 0.0000326300000000, 0.0001571500000000 ] - [ 0.0001034700000000, -0.0000162500000000, -0.0001610400000000 ] - [ -0.0002164500000000, 0.0002450100000000, -0.0001268600000000 ] - [ 0.0030901900000000, 0.0045518000000000, -0.0024789500000000 ] - [ -0.0008958500000000, -0.1040052100000000, 0.0000544900000000 ] - [ -0.0002055600000000, 0.0009331800000000, 0.0003243800000000 ] - [ 0.0000379600000000, -0.0002989200000000, -0.0000166100000000 ] - [ -0.0024875900000000, 0.0061789500000000, 0.0027947500000000 ] - [ -0.0000457500000000, 0.0003039300000000, 0.0000498600000000 ] - [ 0.0002257400000000, -0.0007396000000000, 0.0001332500000000 ] - [ -0.0001699100000000, -0.0078320300000000, 0.0000205700000000 ] - [ -0.0004320900000000, 0.0000088300000000, -0.0003022400000000 ] - [ -0.0038806900000000, -0.0011400900000000, -0.0003422700000000 ] - [ 0.0198549000000000, 0.0027991300000000, 0.0025187900000000 ] - [ 0.0012302400000000, 0.0010242100000000, 0.0001296800000000 ] - [ 0.0002215800000000, 0.0185571500000000, -0.0000165900000000 ] - [ 0.0031047600000000, -0.0001327300000000, 0.0005211100000000 ] - [ -0.0005510800000000, 0.0030407800000000, 0.0002853400000000 ] - [ -0.0002999600000000, -0.0007767200000000, 0.0001882000000000 ] - [ -0.0205959600000000, 0.0043805400000000, -0.0028824500000000 ] - [ 0.0002132200000000, -0.0009543200000000, -0.0003305200000000 ] - [ 0.0003058800000000, 0.0005901000000000, -0.0001852500000000 ] - [ -0.0002127400000000, 0.0000194300000000, -0.0001246200000000 ] - [ 0.0003065500000000, -0.0008051200000000, 0.0001602300000000 ] - [ 0.0005293300000000, -0.0000042900000000, -0.0002873200000000 ] - [ -0.0002041500000000, 0.0000195900000000, 0.0003233400000000 ] - [ 0.0000453600000000, -0.0002631000000000, -0.0000529400000000 ] - [ 0.0003044300000000, 0.0008071500000000, 0.0001627800000000 ] - [ -0.0000321200000000, 0.0002781900000000, 0.0000118400000000 ] - [ 0.0002228600000000, -0.0000005300000000, 0.0001311500000000 ] - [ -0.0002081900000000, -0.0000043300000000, 0.0000465400000000 ] - [ 0.0003943200000000, -0.0004995700000000, -0.0000837500000000 ] - [ -0.0003972000000000, -0.0005055900000000, 0.0000857200000000 ] - [ -0.0003003900000000, -0.0008076600000000, -0.0001632500000000 ] - [ 0.0004029400000000, 0.0005082400000000, -0.0000875900000000 ] - [ 0.0002152100000000, 0.0000029900000000, -0.0000450900000000 ] - [ -0.0003877000000000, 0.0005031800000000, 0.0000862700000000 ] - [ -0.0005173500000000, 0.0000032300000000, 0.0002864800000000 ] - [ -0.0002947200000000, -0.0000207000000000, 0.0001876100000000 ] - [ -0.0002966100000000, 0.0008007600000000, -0.0001582500000000 ] - [ 0.0002112200000000, 0.0000021800000000, -0.0003263000000000 ] - [ 0.0003068300000000, -0.0000027000000000, -0.0001853900000000 ]- atom: 55 displacement: [ -0.0016676867133328, 0.0000000000000000, 0.0098599604982055 ] forces: - [ -0.0001713100000000, 0.0000968600000000, -0.0004067200000000 ] - [ -0.0037166500000000, 0.0038002200000000, 0.0065626400000000 ] - [ -0.0001713100000000, -0.0000968600000000, -0.0004067200000000 ] - [ -0.0016905000000000, 0.0000000000000000, -0.0009102900000000 ] - [ 0.0000962100000000, 0.0001278800000000, 0.0000113200000000 ] - [ -0.0013155800000000, 0.0000000000000000, 0.0005295000000000 ] - [ 0.0005509400000000, -0.0000673200000000, -0.0001498000000000 ] - [ 0.0010877200000000, 0.0000000000000000, 0.0012599100000000 ] - [ -0.0037166500000000, -0.0038002200000000, 0.0065626400000000 ] - [ 0.0001239700000000, 0.0000000000000000, -0.0003708000000000 ] - [ 0.0001834700000000, 0.0000000000000000, 0.0054259200000000 ] - [ 0.0000962100000000, -0.0001278800000000, 0.0000113200000000 ] - [ -0.0001054200000000, 0.0000000000000000, 0.0001826600000000 ] - [ -0.0013077200000000, 0.0012315600000000, -0.0021414100000000 ] - [ -0.0000884500000000, 0.0000000000000000, 0.0007159800000000 ] - [ 0.0000476200000000, -0.0001355300000000, 0.0001129400000000 ] - [ 0.0000476200000000, 0.0001355300000000, 0.0001129400000000 ] - [ 0.0003087300000000, 0.0000000000000000, -0.0001630900000000 ] - [ 0.0005509400000000, 0.0000673200000000, -0.0001498000000000 ] - [ -0.0013077200000000, -0.0012315600000000, -0.0021414100000000 ] - [ 0.0000493800000000, -0.0000804500000000, 0.0000703800000000 ] - [ 0.0000443300000000, -0.0000144900000000, -0.0000571600000000 ] - [ 0.0000493800000000, 0.0000804500000000, 0.0000703800000000 ] - [ 0.0003511600000000, 0.0000000000000000, 0.0000473300000000 ] - [ 0.0001144400000000, 0.0001034000000000, -0.0000007200000000 ] - [ -0.0000716200000000, 0.0000000000000000, 0.0000015000000000 ] - [ 0.0002561900000000, 0.0000659000000000, -0.0000168100000000 ] - [ 0.0000157500000000, 0.0000000000000000, 0.0002247400000000 ] - [ 0.0000443300000000, 0.0000144900000000, -0.0000571600000000 ] - [ 0.0003321200000000, 0.0000000000000000, -0.0001605500000000 ] - [ 0.0000786100000000, 0.0000000000000000, -0.0001718600000000 ] - [ 0.0001144400000000, -0.0001034000000000, -0.0000007200000000 ] - [ -0.0000881400000000, 0.0000000000000000, 0.0001932800000000 ] - [ 0.0002773700000000, 0.0000042400000000, 0.0001099800000000 ] - [ 0.0002826000000000, 0.0000000000000000, 0.0002087400000000 ] - [ 0.0000826600000000, -0.0001444600000000, 0.0000545100000000 ] - [ 0.0000826600000000, 0.0001444600000000, 0.0000545100000000 ] - [ 0.0003163600000000, 0.0000000000000000, -0.0001436700000000 ] - [ 0.0002561900000000, -0.0000659000000000, -0.0000168100000000 ] - [ 0.0002773700000000, -0.0000042400000000, 0.0001099800000000 ] - [ 0.0004041700000000, 0.0000000000000000, -0.0002005000000000 ] - [ 0.0007416900000000, 0.0000000000000000, 0.0001642900000000 ] - [ -0.0036098300000000, 0.0000000000000000, -0.0033721400000000 ] - [ -0.0624439500000000, 0.0000000000000000, 0.0453252800000000 ] - [ 0.0002598800000000, 0.0000000000000000, 0.0002031500000000 ] - [ 0.0003911700000000, 0.0000000000000000, -0.0000891900000000 ] - [ 0.0003477800000000, 0.0000000000000000, 0.0001258000000000 ] - [ 0.0004991100000000, 0.0000000000000000, 0.0000170000000000 ] - [ 0.0001952300000000, 0.0000000000000000, 0.0001105000000000 ] - [ 0.0003694200000000, 0.0000000000000000, -0.0001254300000000 ] - [ 0.0001726100000000, 0.0000000000000000, 0.0001990600000000 ] - [ 0.0003815600000000, 0.0000000000000000, -0.0001152900000000 ] - [ -0.0006252600000000, 0.0000000000000000, -0.0002014100000000 ] - [ -0.0019159100000000, -0.0031191100000000, 0.0095036900000000 ] - [ 0.0922603200000000, 0.0000000000000000, -0.0789542300000000 ] - [ -0.0002097200000000, 0.0000000000000000, 0.0006663900000000 ] - [ -0.0001960600000000, -0.0002807500000000, 0.0000593100000000 ] - [ -0.0019159100000000, 0.0031191100000000, 0.0095036900000000 ] - [ -0.0002119400000000, 0.0002948900000000, 0.0000584300000000 ] - [ 0.0000079600000000, 0.0000000000000000, 0.0001124700000000 ] - [ -0.0221642200000000, 0.0000000000000000, 0.0167843300000000 ] - [ -0.0002528000000000, 0.0002308200000000, -0.0002330900000000 ] - [ -0.0005936900000000, -0.0003131700000000, -0.0009895800000000 ] - [ 0.0042511100000000, 0.0010756400000000, -0.0060127100000000 ] - [ -0.0002528000000000, -0.0002308200000000, -0.0002330900000000 ] - [ 0.0023056700000000, 0.0000000000000000, -0.0005371900000000 ] - [ -0.0005936900000000, 0.0003131700000000, -0.0009895800000000 ] - [ 0.0010796100000000, 0.0000000000000000, 0.0015384000000000 ] - [ -0.0003966900000000, 0.0000000000000000, 0.0000363400000000 ] - [ 0.0042511100000000, -0.0010756400000000, -0.0060127100000000 ] - [ 0.0000161800000000, 0.0000000000000000, -0.0002472900000000 ] - [ -0.0000192100000000, 0.0000000000000000, -0.0004423900000000 ] - [ -0.0004482200000000, 0.0000000000000000, -0.0002097800000000 ] - [ 0.0000487500000000, -0.0007721500000000, 0.0001046000000000 ] - [ 0.0001886300000000, 0.0000000000000000, -0.0003142900000000 ] - [ -0.0003943800000000, 0.0000000000000000, 0.0003177600000000 ] - [ -0.0002119400000000, -0.0002948900000000, 0.0000584300000000 ] - [ 0.0000487500000000, 0.0007721500000000, 0.0001046000000000 ] - [ -0.0001960600000000, 0.0002807500000000, 0.0000593100000000 ] - [ -0.0000119300000000, 0.0000000000000000, 0.0000613900000000 ] - [ -0.0004310100000000, 0.0000000000000000, 0.0000152800000000 ] - [ 0.0001451700000000, -0.0004819000000000, -0.0001155600000000 ] - [ -0.0006520400000000, -0.0005289200000000, 0.0000585400000000 ] - [ -0.0005546200000000, -0.0008381100000000, -0.0002157500000000 ] - [ 0.0001451700000000, 0.0004819000000000, -0.0001155600000000 ] - [ -0.0000104100000000, 0.0000000000000000, -0.0000828500000000 ] - [ -0.0006520400000000, 0.0005289200000000, 0.0000585400000000 ] - [ -0.0008578300000000, 0.0000000000000000, 0.0002606500000000 ] - [ -0.0005643300000000, 0.0000000000000000, 0.0000405500000000 ] - [ -0.0005546200000000, 0.0008381100000000, -0.0002157500000000 ] - [ 0.0000254500000000, 0.0000000000000000, -0.0003452500000000 ] - [ 0.0000369100000000, 0.0000000000000000, -0.0003447900000000 ]- atom: 55 displacement: [ 0.0016676867133328, 0.0000000000000000, -0.0098599604982055 ] forces: - [ -0.0000485900000000, -0.0002389300000000, 0.0004851400000000 ] - [ 0.0035021000000000, -0.0038265500000000, -0.0066972200000000 ] - [ -0.0000485900000000, 0.0002389300000000, 0.0004851400000000 ] - [ 0.0022950300000000, 0.0000000000000000, -0.0002013000000000 ] - [ -0.0000692700000000, 0.0001176900000000, -0.0000666900000000 ] - [ 0.0009188700000000, 0.0000000000000000, -0.0005873700000000 ] - [ -0.0003539600000000, 0.0002151100000000, 0.0000558800000000 ] - [ -0.0013972600000000, 0.0000000000000000, -0.0008634800000000 ] - [ 0.0035021000000000, 0.0038265500000000, -0.0066972200000000 ] - [ 0.0001908200000000, 0.0000000000000000, -0.0000066700000000 ] - [ -0.0000886800000000, 0.0000000000000000, -0.0054761900000000 ] - [ -0.0000692700000000, -0.0001176900000000, -0.0000666900000000 ] - [ -0.0003157100000000, 0.0000000000000000, 0.0001371200000000 ] - [ 0.0015743200000000, -0.0011932200000000, 0.0022979100000000 ] - [ 0.0002958500000000, 0.0000000000000000, -0.0003094100000000 ] - [ -0.0000816900000000, -0.0001074500000000, -0.0000552500000000 ] - [ -0.0000816900000000, 0.0001074500000000, -0.0000552500000000 ] - [ 0.0001063500000000, 0.0000000000000000, -0.0001583200000000 ] - [ -0.0003539600000000, -0.0002151100000000, 0.0000558800000000 ] - [ 0.0015743200000000, 0.0011932200000000, 0.0022979100000000 ] - [ -0.0002587900000000, -0.0000654500000000, 0.0000146100000000 ] - [ -0.0002764800000000, -0.0000049700000000, -0.0001094600000000 ] - [ -0.0002587900000000, 0.0000654500000000, 0.0000146100000000 ] - [ 0.0000666000000000, 0.0000000000000000, -0.0000006700000000 ] - [ -0.0000845400000000, 0.0001423900000000, -0.0000561900000000 ] - [ -0.0003562000000000, 0.0000000000000000, -0.0000453000000000 ] - [ -0.0000500100000000, 0.0000809100000000, -0.0000710300000000 ] - [ -0.0003350900000000, 0.0000000000000000, 0.0001611000000000 ] - [ -0.0002764800000000, 0.0000049700000000, -0.0001094600000000 ] - [ -0.0000186200000000, 0.0000000000000000, -0.0002251100000000 ] - [ -0.0002851500000000, 0.0000000000000000, -0.0002085900000000 ] - [ -0.0000845400000000, -0.0001423900000000, -0.0000561900000000 ] - [ -0.0003313600000000, 0.0000000000000000, 0.0001248900000000 ] - [ -0.0000458900000000, 0.0000151900000000, 0.0000540500000000 ] - [ -0.0000819100000000, 0.0000000000000000, 0.0001720000000000 ] - [ -0.0001159100000000, -0.0001006500000000, 0.0000012900000000 ] - [ -0.0001159100000000, 0.0001006500000000, 0.0000012900000000 ] - [ 0.0000993800000000, 0.0000000000000000, -0.0001766900000000 ] - [ -0.0000500100000000, -0.0000809100000000, -0.0000710300000000 ] - [ -0.0000458900000000, -0.0000151900000000, 0.0000540500000000 ] - [ -0.0005300700000000, 0.0000000000000000, 0.0004862000000000 ] - [ -0.0006203700000000, 0.0000000000000000, -0.0004749100000000 ] - [ 0.0035045100000000, 0.0000000000000000, 0.0035660200000000 ] - [ 0.0619874800000000, 0.0000000000000000, -0.0459460800000000 ] - [ -0.0003880000000000, 0.0000000000000000, 0.0000928200000000 ] - [ -0.0002712400000000, 0.0000000000000000, -0.0002107600000000 ] - [ -0.0005158700000000, 0.0000000000000000, -0.0000214900000000 ] - [ -0.0003616600000000, 0.0000000000000000, -0.0001224200000000 ] - [ -0.0004148800000000, 0.0000000000000000, 0.0002051700000000 ] - [ -0.0001565900000000, 0.0000000000000000, -0.0001995400000000 ] - [ -0.0003953600000000, 0.0000000000000000, 0.0001197800000000 ] - [ -0.0001737800000000, 0.0000000000000000, -0.0002029300000000 ] - [ 0.0001779500000000, 0.0000000000000000, -0.0000586100000000 ] - [ 0.0025654700000000, 0.0016051100000000, -0.0092089600000000 ] - [ -0.0910830700000000, 0.0000000000000000, 0.0795729600000000 ] - [ -0.0002023600000000, 0.0000000000000000, -0.0000043600000000 ] - [ 0.0001995100000000, -0.0003040700000000, -0.0000634100000000 ] - [ 0.0025654700000000, -0.0016051100000000, -0.0092089600000000 ] - [ 0.0002178200000000, 0.0002877600000000, -0.0000567800000000 ] - [ 0.0004424800000000, 0.0000000000000000, 0.0001513900000000 ] - [ 0.0213582300000000, 0.0000000000000000, -0.0165810000000000 ] - [ 0.0010332000000000, -0.0012318300000000, 0.0000602400000000 ] - [ -0.0002086800000000, -0.0006938000000000, 0.0011696100000000 ] - [ -0.0047426700000000, -0.0026482400000000, 0.0057063700000000 ] - [ 0.0010332000000000, 0.0012318300000000, 0.0000602400000000 ] - [ -0.0019127500000000, 0.0000000000000000, 0.0003885100000000 ] - [ -0.0002086800000000, 0.0006938000000000, 0.0011696100000000 ] - [ -0.0021612000000000, 0.0000000000000000, -0.0009782300000000 ] - [ -0.0001968300000000, 0.0000000000000000, 0.0003491300000000 ] - [ -0.0047426700000000, 0.0026482400000000, 0.0057063700000000 ] - [ 0.0004119900000000, 0.0000000000000000, -0.0003991000000000 ] - [ 0.0006364200000000, 0.0000000000000000, 0.0000622800000000 ] - [ 0.0000039500000000, 0.0000000000000000, -0.0000582900000000 ] - [ 0.0005584500000000, -0.0008436700000000, 0.0002174900000000 ] - [ 0.0008658100000000, 0.0000000000000000, -0.0002577900000000 ] - [ -0.0000241100000000, 0.0000000000000000, 0.0003397700000000 ] - [ 0.0002178200000000, -0.0002877600000000, -0.0000567800000000 ] - [ 0.0005584500000000, 0.0008436700000000, 0.0002174900000000 ] - [ 0.0001995100000000, 0.0003040700000000, -0.0000634100000000 ] - [ 0.0004648700000000, 0.0000000000000000, 0.0002077100000000 ] - [ 0.0000194400000000, 0.0000000000000000, 0.0000708800000000 ] - [ 0.0006479200000000, -0.0005250400000000, -0.0000609900000000 ] - [ -0.0001356000000000, -0.0004783700000000, 0.0001156800000000 ] - [ -0.0000425200000000, -0.0007676600000000, -0.0000967900000000 ] - [ 0.0006479200000000, 0.0005250400000000, -0.0000609900000000 ] - [ 0.0004354300000000, 0.0000000000000000, -0.0000129700000000 ] - [ -0.0001356000000000, 0.0004783700000000, 0.0001156800000000 ] - [ -0.0001691200000000, 0.0000000000000000, 0.0003097600000000 ] - [ -0.0000364500000000, 0.0000000000000000, 0.0003488900000000 ] - [ -0.0000425200000000, 0.0007676600000000, -0.0000967900000000 ] - [ 0.0003989800000000, 0.0000000000000000, -0.0003126200000000 ] - [ 0.0005748400000000, 0.0000000000000000, -0.0000371600000000 ]- atom: 56 displacement: [ 0.0099999817982353, 0.0000000000000000, 0.0000190797002540 ] forces: - [ 0.0100444100000000, 0.0001278000000000, -0.0009794200000000 ] - [ -0.0011195600000000, 0.0000621300000000, -0.0002140300000000 ] - [ 0.0100444100000000, -0.0001278000000000, -0.0009794200000000 ] - [ -0.0006203900000000, 0.0000000000000000, 0.0000044200000000 ] - [ -0.0005903600000000, 0.0002507800000000, -0.0001994000000000 ] - [ -0.0017400300000000, 0.0000000000000000, -0.0001501400000000 ] - [ -0.0008288400000000, 0.0001230800000000, -0.0002001300000000 ] - [ 0.0034512800000000, 0.0000000000000000, 0.0018828100000000 ] - [ -0.0011195600000000, -0.0000621300000000, -0.0002140300000000 ] - [ -0.0009106000000000, 0.0000000000000000, -0.0003972100000000 ] - [ -0.0012097200000000, 0.0000000000000000, -0.0003537600000000 ] - [ -0.0005903600000000, -0.0002507800000000, -0.0001994000000000 ] - [ -0.0009160900000000, 0.0000000000000000, 0.0000388100000000 ] - [ -0.0005587800000000, -0.0002494100000000, 0.0005484200000000 ] - [ -0.0012600000000000, 0.0000000000000000, -0.0033014000000000 ] - [ 0.0095213100000000, 0.0003498500000000, 0.0008492300000000 ] - [ 0.0095213100000000, -0.0003498500000000, 0.0008492300000000 ] - [ -0.0061613700000000, 0.0000000000000000, -0.0045734300000000 ] - [ -0.0008288400000000, -0.0001230800000000, -0.0002001300000000 ] - [ -0.0005587800000000, 0.0002494100000000, 0.0005484200000000 ] - [ -0.0010408000000000, -0.0000287300000000, -0.0001228400000000 ] - [ -0.0010924400000000, 0.0000210700000000, -0.0002386900000000 ] - [ -0.0010408000000000, 0.0000287300000000, -0.0001228400000000 ] - [ -0.0006601200000000, 0.0000000000000000, -0.0001216000000000 ] - [ -0.0006940600000000, 0.0002823600000000, -0.0003337100000000 ] - [ -0.0010845200000000, 0.0000000000000000, -0.0001606500000000 ] - [ -0.0008325900000000, 0.0000877100000000, -0.0002115600000000 ] - [ -0.0012325400000000, 0.0000000000000000, 0.0000016900000000 ] - [ -0.0010924400000000, -0.0000210700000000, -0.0002386900000000 ] - [ -0.0008991800000000, 0.0000000000000000, -0.0003761800000000 ] - [ -0.0012164600000000, 0.0000000000000000, -0.0003057700000000 ] - [ -0.0006940600000000, -0.0002823600000000, -0.0003337100000000 ] - [ -0.0025266900000000, 0.0000000000000000, 0.0009226800000000 ] - [ -0.0008604300000000, 0.0000433600000000, -0.0000762800000000 ] - [ -0.0010095800000000, 0.0000000000000000, 0.0000811100000000 ] - [ -0.0006247300000000, 0.0000069000000000, -0.0001370000000000 ] - [ -0.0006247300000000, -0.0000069000000000, -0.0001370000000000 ] - [ -0.0004988900000000, 0.0000000000000000, -0.0002818500000000 ] - [ -0.0008325900000000, -0.0000877100000000, -0.0002115600000000 ] - [ -0.0008604300000000, -0.0000433600000000, -0.0000762800000000 ] - [ 0.0654778600000000, 0.0000000000000000, -0.0367680600000000 ] - [ -0.0019580100000000, 0.0000000000000000, -0.0004823900000000 ] - [ -0.0025138300000000, 0.0000000000000000, -0.0005363300000000 ] - [ -0.0017528000000000, 0.0000000000000000, -0.0018605800000000 ] - [ -0.0020485900000000, 0.0000000000000000, -0.0001920500000000 ] - [ -0.0021250000000000, 0.0000000000000000, -0.0004958700000000 ] - [ -0.0027073600000000, 0.0000000000000000, -0.0003899300000000 ] - [ -0.0025544900000000, 0.0000000000000000, -0.0004869400000000 ] - [ 0.0079964800000000, 0.0000000000000000, -0.0010445100000000 ] - [ -0.0016232700000000, 0.0000000000000000, -0.0003808600000000 ] - [ -0.0018360400000000, 0.0000000000000000, -0.0000692700000000 ] - [ -0.0020052900000000, 0.0000000000000000, 0.0016463100000000 ] - [ -0.0077021800000000, 0.0000000000000000, 0.0073898900000000 ] - [ 0.0017686500000000, -0.0009800500000000, 0.0004982400000000 ] - [ 0.0030384300000000, 0.0000000000000000, 0.0001424900000000 ] - [ -0.0918429900000000, 0.0000000000000000, 0.0744300100000000 ] - [ 0.0048221200000000, 0.0063923300000000, 0.0002338200000000 ] - [ 0.0017686500000000, 0.0009800500000000, 0.0004982400000000 ] - [ 0.0013057700000000, 0.0002855400000000, -0.0003418300000000 ] - [ 0.0016413700000000, 0.0000000000000000, 0.0005975500000000 ] - [ 0.0003555600000000, 0.0000000000000000, 0.0007320000000000 ] - [ -0.0032078000000000, -0.0105254100000000, -0.0183554300000000 ] - [ 0.0011815600000000, -0.0003710500000000, 0.0002616700000000 ] - [ 0.0018652800000000, 0.0021318100000000, 0.0008550700000000 ] - [ -0.0032078000000000, 0.0105254100000000, -0.0183554300000000 ] - [ 0.0015841100000000, 0.0000000000000000, 0.0002337700000000 ] - [ 0.0011815600000000, 0.0003710500000000, 0.0002616700000000 ] - [ 0.0011246700000000, 0.0000000000000000, 0.0003564500000000 ] - [ -0.0115463400000000, 0.0000000000000000, -0.0050017300000000 ] - [ 0.0018652800000000, -0.0021318100000000, 0.0008550700000000 ] - [ 0.0013539300000000, 0.0000000000000000, -0.0002589400000000 ] - [ 0.0019296500000000, 0.0000000000000000, 0.0007427300000000 ] - [ 0.0011637400000000, 0.0000000000000000, 0.0003180100000000 ] - [ 0.0018586200000000, -0.0010170600000000, 0.0005144100000000 ] - [ 0.0025898400000000, 0.0000000000000000, -0.0001183200000000 ] - [ 0.0009208500000000, 0.0000000000000000, 0.0004162300000000 ] - [ 0.0013057700000000, -0.0002855400000000, -0.0003418300000000 ] - [ 0.0018586200000000, 0.0010170600000000, 0.0005144100000000 ] - [ 0.0048221200000000, -0.0063923300000000, 0.0002338200000000 ] - [ 0.0017207800000000, 0.0000000000000000, 0.0007229500000000 ] - [ 0.0011632400000000, 0.0000000000000000, 0.0002226300000000 ] - [ 0.0019452300000000, -0.0006440300000000, 0.0000826500000000 ] - [ 0.0011936700000000, -0.0003062000000000, 0.0002491100000000 ] - [ 0.0012627200000000, -0.0005777700000000, 0.0002035500000000 ] - [ 0.0019452300000000, 0.0006440300000000, 0.0000826500000000 ] - [ 0.0015715400000000, 0.0000000000000000, 0.0001622600000000 ] - [ 0.0011936700000000, 0.0003062000000000, 0.0002491100000000 ] - [ 0.0015842200000000, 0.0000000000000000, 0.0004457700000000 ] - [ 0.0013271800000000, 0.0000000000000000, 0.0011352300000000 ] - [ 0.0012627200000000, 0.0005777700000000, 0.0002035500000000 ] - [ 0.0014263900000000, 0.0000000000000000, -0.0002496400000000 ] - [ 0.0021033200000000, 0.0000000000000000, -0.0000400800000000 ]- atom: 56 displacement: [ -0.0099999817982353, 0.0000000000000000, -0.0000190797002540 ] forces: - [ -0.0100987700000000, -0.0000112600000000, 0.0010897400000000 ] - [ 0.0008891800000000, -0.0000833900000000, 0.0000512800000000 ] - [ -0.0100987700000000, 0.0000112600000000, 0.0010897400000000 ] - [ 0.0010463100000000, 0.0000000000000000, 0.0000329600000000 ] - [ 0.0006237900000000, -0.0000064000000000, 0.0001390000000000 ] - [ 0.0013061700000000, 0.0000000000000000, 0.0001122700000000 ] - [ 0.0010328000000000, 0.0000267800000000, 0.0001160000000000 ] - [ -0.0037665200000000, 0.0000000000000000, -0.0014974300000000 ] - [ 0.0008891800000000, 0.0000833900000000, 0.0000512800000000 ] - [ 0.0012316100000000, 0.0000000000000000, 0.0000055300000000 ] - [ 0.0010095900000000, 0.0000000000000000, -0.0000272800000000 ] - [ 0.0006237900000000, 0.0000064000000000, 0.0001390000000000 ] - [ 0.0004991200000000, 0.0000000000000000, 0.0002792200000000 ] - [ 0.0008022900000000, 0.0002671900000000, -0.0003686900000000 ] - [ 0.0014738500000000, 0.0000000000000000, 0.0036525900000000 ] - [ -0.0096863800000000, -0.0003848200000000, -0.0006084400000000 ] - [ -0.0096863800000000, 0.0003848200000000, -0.0006084400000000 ] - [ 0.0065802100000000, 0.0000000000000000, 0.0042898200000000 ] - [ 0.0010328000000000, -0.0000267800000000, 0.0001160000000000 ] - [ 0.0008022900000000, -0.0002671900000000, -0.0003686900000000 ] - [ 0.0008387200000000, -0.0001207600000000, 0.0002076800000000 ] - [ 0.0008628200000000, -0.0000428600000000, 0.0000753100000000 ] - [ 0.0008387200000000, 0.0001207600000000, 0.0002076800000000 ] - [ 0.0010861100000000, 0.0000000000000000, 0.0001605700000000 ] - [ 0.0007282800000000, -0.0000401300000000, 0.0002748800000000 ] - [ 0.0006623500000000, 0.0000000000000000, 0.0001192300000000 ] - [ 0.0010378300000000, 0.0000619200000000, 0.0001268500000000 ] - [ 0.0009143400000000, 0.0000000000000000, 0.0003904800000000 ] - [ 0.0008628200000000, 0.0000428600000000, 0.0000753100000000 ] - [ 0.0012172300000000, 0.0000000000000000, -0.0000147800000000 ] - [ 0.0010166400000000, 0.0000000000000000, -0.0000748000000000 ] - [ 0.0007282800000000, 0.0000401300000000, 0.0002748800000000 ] - [ 0.0021036500000000, 0.0000000000000000, -0.0006244600000000 ] - [ 0.0010917500000000, -0.0000220300000000, 0.0002396300000000 ] - [ 0.0012111300000000, 0.0000000000000000, 0.0002997100000000 ] - [ 0.0005908300000000, -0.0002507300000000, 0.0001980700000000 ] - [ 0.0005908300000000, 0.0002507300000000, 0.0001980700000000 ] - [ 0.0009189400000000, 0.0000000000000000, -0.0000373000000000 ] - [ 0.0010378300000000, -0.0000619200000000, 0.0001268500000000 ] - [ 0.0010917500000000, 0.0000220300000000, 0.0002396300000000 ] - [ -0.0660385900000000, 0.0000000000000000, 0.0367807300000000 ] - [ 0.0020671200000000, 0.0000000000000000, 0.0001852000000000 ] - [ 0.0023602400000000, 0.0000000000000000, 0.0006344300000000 ] - [ 0.0019091000000000, 0.0000000000000000, 0.0017438700000000 ] - [ 0.0019426700000000, 0.0000000000000000, 0.0004898100000000 ] - [ 0.0022329900000000, 0.0000000000000000, 0.0001943800000000 ] - [ 0.0025540300000000, 0.0000000000000000, 0.0004923700000000 ] - [ 0.0027120800000000, 0.0000000000000000, 0.0003861500000000 ] - [ -0.0082605200000000, 0.0000000000000000, 0.0013511800000000 ] - [ 0.0018421400000000, 0.0000000000000000, 0.0000639600000000 ] - [ 0.0016208500000000, 0.0000000000000000, 0.0003851400000000 ] - [ 0.0022219100000000, 0.0000000000000000, -0.0019756000000000 ] - [ 0.0072780900000000, 0.0000000000000000, -0.0075935100000000 ] - [ -0.0011774500000000, -0.0006158200000000, -0.0001922200000000 ] - [ -0.0020269100000000, 0.0000000000000000, -0.0007042400000000 ] - [ 0.0920128200000000, 0.0000000000000000, -0.0737535300000000 ] - [ -0.0048837200000000, -0.0070369100000000, -0.0002233900000000 ] - [ -0.0011774500000000, 0.0006158200000000, -0.0001922200000000 ] - [ -0.0013071600000000, 0.0002932200000000, 0.0003435700000000 ] - [ -0.0011743900000000, 0.0000000000000000, -0.0003228600000000 ] - [ -0.0007756400000000, 0.0000000000000000, -0.0006653900000000 ] - [ 0.0039226600000000, 0.0094165300000000, 0.0180554400000000 ] - [ -0.0019645500000000, -0.0006333800000000, -0.0000827200000000 ] - [ -0.0024443700000000, -0.0036939800000000, -0.0011468500000000 ] - [ 0.0039226600000000, -0.0094165300000000, 0.0180554400000000 ] - [ -0.0011739100000000, 0.0000000000000000, -0.0002944900000000 ] - [ -0.0019645500000000, 0.0006333800000000, -0.0000827200000000 ] - [ -0.0021341400000000, 0.0000000000000000, 0.0002029600000000 ] - [ 0.0109600500000000, 0.0000000000000000, 0.0053986600000000 ] - [ -0.0024443700000000, 0.0036939800000000, -0.0011468500000000 ] - [ -0.0009187200000000, 0.0000000000000000, -0.0004046100000000 ] - [ -0.0013170600000000, 0.0000000000000000, -0.0011339100000000 ] - [ -0.0016321100000000, 0.0000000000000000, -0.0005970500000000 ] - [ -0.0012682000000000, -0.0005734600000000, -0.0002105600000000 ] - [ -0.0015864900000000, 0.0000000000000000, -0.0004441800000000 ] - [ -0.0013598700000000, 0.0000000000000000, 0.0002488100000000 ] - [ -0.0013071600000000, -0.0002932200000000, 0.0003435700000000 ] - [ -0.0012682000000000, 0.0005734600000000, -0.0002105600000000 ] - [ -0.0048837200000000, 0.0070369100000000, -0.0002233900000000 ] - [ -0.0012517200000000, 0.0000000000000000, -0.0004512700000000 ] - [ -0.0015760800000000, 0.0000000000000000, -0.0001628600000000 ] - [ -0.0011670500000000, -0.0003594900000000, -0.0002636200000000 ] - [ -0.0019723000000000, -0.0006939100000000, -0.0000689100000000 ] - [ -0.0018568600000000, -0.0010156100000000, -0.0005084100000000 ] - [ -0.0011670500000000, 0.0003594900000000, -0.0002636200000000 ] - [ -0.0011636900000000, 0.0000000000000000, -0.0002229200000000 ] - [ -0.0019723000000000, 0.0006939100000000, -0.0000689100000000 ] - [ -0.0025902200000000, 0.0000000000000000, 0.0001176700000000 ] - [ -0.0019458300000000, 0.0000000000000000, -0.0007433000000000 ] - [ -0.0018568600000000, 0.0010156100000000, -0.0005084100000000 ] - [ -0.0009930600000000, 0.0000000000000000, -0.0004095700000000 ] - [ -0.0014942200000000, 0.0000000000000000, -0.0003496300000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002499000000000, 0.0055276000000000, -0.0018066000000000 ] - [ -0.0002362700000000, -0.0000158700000000, -0.0001140300000000 ] - [ -0.0000272700000000, 0.0049922700000000, 0.0019329300000000 ] - [ 0.0002080600000000, -0.0001210200000000, 0.0000218800000000 ] - [ 0.0000195300000000, 0.0001200100000000, -0.0000314600000000 ] - [ -0.0002083700000000, 0.0009516300000000, -0.0000192700000000 ] - [ 0.0000982500000000, 0.0000757100000000, -0.0000446200000000 ] - [ -0.0001646700000000, -0.0053140600000000, 0.0001852800000000 ] - [ -0.0000286700000000, 0.0000119900000000, -0.0000605800000000 ] - [ 0.0001593200000000, -0.0000011500000000, -0.0001954100000000 ] - [ -0.0001001100000000, 0.0000109800000000, -0.0001899800000000 ] - [ 0.0000166100000000, -0.0001217600000000, -0.0000309300000000 ] - [ -0.0002074400000000, 0.0000025100000000, 0.0001578000000000 ] - [ -0.0019944400000000, -0.0002121000000000, -0.0003753900000000 ] - [ 0.0001097800000000, 0.0043730000000000, 0.0001962400000000 ] - [ 0.0009461900000000, 0.0056689400000000, 0.0006227200000000 ] - [ -0.0011978900000000, 0.0056755900000000, -0.0003486000000000 ] - [ 0.0001901000000000, 0.0020851500000000, -0.0001610300000000 ] - [ 0.0000990600000000, -0.0000759100000000, -0.0000415000000000 ] - [ 0.0022483600000000, -0.0002393900000000, 0.0005442900000000 ] - [ -0.0000880700000000, -0.0000766500000000, 0.0000449100000000 ] - [ -0.0001243700000000, -0.0000138900000000, -0.0000880200000000 ] - [ -0.0000842600000000, 0.0000736800000000, 0.0000460800000000 ] - [ 0.0002099100000000, -0.0000015000000000, 0.0000204800000000 ] - [ -0.0001485000000000, 0.0002029600000000, -0.0002088100000000 ] - [ -0.0002074000000000, -0.0000008700000000, -0.0000208800000000 ] - [ 0.0000856000000000, 0.0000761500000000, -0.0000365400000000 ] - [ -0.0001567600000000, -0.0000046800000000, 0.0001964900000000 ] - [ -0.0001277500000000, 0.0000110300000000, -0.0000812200000000 ] - [ 0.0001596800000000, 0.0000258800000000, -0.0001952500000000 ] - [ -0.0001002100000000, -0.0000106900000000, -0.0001900300000000 ] - [ 0.0001775900000000, -0.0000390700000000, 0.0001483300000000 ] - [ -0.0002189200000000, 0.0003953500000000, 0.0001515500000000 ] - [ 0.0001211300000000, 0.0000128700000000, 0.0000844200000000 ] - [ 0.0001026900000000, -0.0000004000000000, 0.0001900400000000 ] - [ -0.0000167800000000, -0.0001211600000000, 0.0000324600000000 ] - [ -0.0000201900000000, 0.0001235600000000, 0.0000291000000000 ] - [ 0.0002113500000000, -0.0000019000000000, -0.0001610400000000 ] - [ 0.0000980700000000, -0.0000739300000000, -0.0000530600000000 ] - [ 0.0001193600000000, -0.0000072000000000, 0.0000819800000000 ] - [ -0.0002104300000000, 0.0452516100000000, 0.0006324200000000 ] - [ 0.0000577700000000, 0.0000108500000000, -0.0001457100000000 ] - [ -0.0000756400000000, 0.0000285100000000, 0.0000506500000000 ] - [ 0.0000768800000000, -0.0050506400000000, -0.0000508500000000 ] - [ -0.0000540700000000, -0.0000020300000000, 0.0001460200000000 ] - [ 0.0000547900000000, -0.0000952400000000, -0.0001484300000000 ] - [ -0.0000767000000000, 0.0000101900000000, 0.0000501800000000 ] - [ 0.0000797500000000, 0.0000002500000000, -0.0000503700000000 ] - [ -0.0000727800000000, -0.0083365700000000, 0.0001835900000000 ] - [ 0.0001091200000000, 0.0000002100000000, -0.0001558400000000 ] - [ -0.0001049800000000, -0.0000033600000000, 0.0001567400000000 ] - [ 0.0001095000000000, -0.0012373700000000, -0.0001572000000000 ] - [ -0.0002071500000000, -0.0091465300000000, -0.0000712500000000 ] - [ 0.0003251500000000, -0.0008164300000000, 0.0001815400000000 ] - [ 0.0005049400000000, 0.0009232100000000, -0.0002818500000000 ] - [ -0.0003849300000000, -0.0864429600000000, -0.0004745300000000 ] - [ 0.0031966100000000, 0.0021026500000000, 0.0002184400000000 ] - [ 0.0002716800000000, 0.0007757200000000, 0.0001260900000000 ] - [ 0.0000107700000000, 0.0002783900000000, 0.0000098100000000 ] - [ 0.0002247300000000, -0.0000071400000000, 0.0001371700000000 ] - [ -0.0002083300000000, 0.0019748500000000, 0.0000291800000000 ] - [ -0.0119207400000000, 0.0028682800000000, 0.0169254800000000 ] - [ -0.0004047200000000, -0.0005038100000000, 0.0000899900000000 ] - [ 0.0034621300000000, 0.0013892200000000, 0.0009248900000000 ] - [ 0.0128151900000000, 0.0038153200000000, -0.0171663700000000 ] - [ 0.0002058500000000, -0.0001553300000000, -0.0000299000000000 ] - [ -0.0003790900000000, 0.0004986600000000, 0.0000861900000000 ] - [ -0.0005071500000000, -0.0009550700000000, 0.0002840900000000 ] - [ -0.0003079000000000, 0.0232087800000000, 0.0002324400000000 ] - [ -0.0040496300000000, 0.0030030100000000, -0.0012312100000000 ] - [ 0.0002158800000000, -0.0000064700000000, -0.0003327400000000 ] - [ 0.0003041500000000, 0.0000080500000000, -0.0001910300000000 ] - [ -0.0002262500000000, 0.0000139300000000, -0.0001393800000000 ] - [ 0.0003071900000000, -0.0007992000000000, 0.0001525600000000 ] - [ 0.0005052900000000, -0.0000035700000000, -0.0002839400000000 ] - [ -0.0002148600000000, 0.0000168800000000, 0.0003325500000000 ] - [ -0.0000124500000000, -0.0002811700000000, -0.0000058100000000 ] - [ 0.0002877600000000, 0.0007957000000000, 0.0001553200000000 ] - [ -0.0032120200000000, 0.0026454400000000, -0.0002003700000000 ] - [ 0.0002314500000000, 0.0000404600000000, 0.0001386500000000 ] - [ -0.0002065800000000, 0.0000010700000000, 0.0000316400000000 ] - [ 0.0003912500000000, -0.0004992200000000, -0.0000863900000000 ] - [ -0.0004361300000000, -0.0004628600000000, 0.0000996400000000 ] - [ -0.0003010800000000, -0.0007972000000000, -0.0001542300000000 ] - [ 0.0003835900000000, 0.0005020400000000, -0.0000911600000000 ] - [ 0.0002069600000000, 0.0000006300000000, -0.0000290600000000 ] - [ -0.0003456400000000, 0.0005383000000000, 0.0000770500000000 ] - [ -0.0005054500000000, -0.0000035800000000, 0.0002833800000000 ] - [ -0.0003053400000000, -0.0000207800000000, 0.0001898500000000 ] - [ -0.0002977600000000, 0.0007957400000000, -0.0001547200000000 ] - [ 0.0002144300000000, -0.0000852200000000, -0.0003326700000000 ] - [ 0.0003027500000000, 0.0002500900000000, -0.0001932900000000 ]- atom: 56 displacement: [ -0.0016676867133328, 0.0000000000000000, 0.0098599604982055 ] forces: - [ -0.0031423200000000, -0.0015395000000000, 0.0071544700000000 ] - [ -0.0000910100000000, 0.0000327100000000, -0.0000256500000000 ] - [ -0.0031423200000000, 0.0015395000000000, 0.0071544700000000 ] - [ 0.0003529700000000, 0.0000000000000000, 0.0002534400000000 ] - [ 0.0000741300000000, 0.0001096500000000, -0.0000175900000000 ] - [ -0.0006223400000000, 0.0000000000000000, 0.0002556400000000 ] - [ 0.0002066900000000, 0.0000723500000000, -0.0000162400000000 ] - [ -0.0007973800000000, 0.0000000000000000, -0.0026869700000000 ] - [ -0.0000910100000000, -0.0000327100000000, -0.0000256500000000 ] - [ 0.0002599700000000, 0.0000000000000000, -0.0001883100000000 ] - [ 0.0000121100000000, 0.0000000000000000, -0.0002610200000000 ] - [ 0.0000741300000000, -0.0001096500000000, -0.0000175900000000 ] - [ -0.0001428500000000, 0.0000000000000000, 0.0001711800000000 ] - [ 0.0015313700000000, 0.0000746300000000, 0.0014117700000000 ] - [ -0.0027945800000000, 0.0000000000000000, -0.0055029200000000 ] - [ 0.0000896500000000, 0.0010430200000000, 0.0015081800000000 ] - [ 0.0000896500000000, -0.0010430200000000, 0.0015081800000000 ] - [ -0.0020226800000000, 0.0000000000000000, 0.0021033900000000 ] - [ 0.0002066900000000, -0.0000723500000000, -0.0000162400000000 ] - [ 0.0015313700000000, -0.0000746300000000, 0.0014117700000000 ] - [ -0.0000148100000000, -0.0000774200000000, 0.0000576100000000 ] - [ -0.0000296400000000, -0.0000143900000000, -0.0000724500000000 ] - [ -0.0000148100000000, 0.0000774200000000, 0.0000576100000000 ] - [ 0.0002969400000000, 0.0000000000000000, 0.0000308500000000 ] - [ 0.0000997300000000, -0.0000239800000000, 0.0001225400000000 ] - [ -0.0001294500000000, 0.0000000000000000, -0.0000082500000000 ] - [ 0.0002202800000000, 0.0000389200000000, -0.0000376700000000 ] - [ -0.0000570100000000, 0.0000000000000000, 0.0002124300000000 ] - [ -0.0000296400000000, 0.0000143900000000, -0.0000724500000000 ] - [ 0.0002909500000000, 0.0000000000000000, -0.0001430500000000 ] - [ -0.0000061000000000, 0.0000000000000000, -0.0001751300000000 ] - [ 0.0000997300000000, 0.0000239800000000, 0.0001225400000000 ] - [ -0.0002914700000000, 0.0000000000000000, -0.0015362800000000 ] - [ 0.0002124900000000, 0.0000073600000000, 0.0000977600000000 ] - [ 0.0002069200000000, 0.0000000000000000, 0.0002015000000000 ] - [ 0.0000414400000000, -0.0001334200000000, 0.0000466700000000 ] - [ 0.0000414400000000, 0.0001334200000000, 0.0000466700000000 ] - [ 0.0002766400000000, 0.0000000000000000, -0.0001491300000000 ] - [ 0.0002202800000000, -0.0000389200000000, -0.0000376700000000 ] - [ 0.0002124900000000, -0.0000073600000000, 0.0000977600000000 ] - [ -0.0533170100000000, 0.0000000000000000, 0.1821752800000000 ] - [ 0.0002286300000000, 0.0000000000000000, -0.0001026100000000 ] - [ 0.0005911200000000, 0.0000000000000000, -0.0001805100000000 ] - [ 0.0001826100000000, 0.0000000000000000, -0.0026786900000000 ] - [ 0.0001330000000000, 0.0000000000000000, 0.0001797200000000 ] - [ -0.0000395400000000, 0.0000000000000000, -0.0004265100000000 ] - [ 0.0001780400000000, 0.0000000000000000, 0.0001016500000000 ] - [ 0.0003242500000000, 0.0000000000000000, -0.0000075400000000 ] - [ -0.0011557500000000, 0.0000000000000000, 0.0049752100000000 ] - [ 0.0002733900000000, 0.0000000000000000, -0.0001319700000000 ] - [ 0.0000553900000000, 0.0000000000000000, 0.0001798400000000 ] - [ 0.0006077900000000, 0.0000000000000000, -0.0008552700000000 ] - [ 0.0024224800000000, 0.0000000000000000, 0.0344127900000000 ] - [ -0.0000038800000000, -0.0007345300000000, 0.0000981500000000 ] - [ 0.0009119300000000, 0.0000000000000000, 0.0001186000000000 ] - [ 0.0868532200000000, 0.0000000000000000, -0.2724474500000000 ] - [ -0.0019611100000000, -0.0015963100000000, -0.0007587700000000 ] - [ -0.0000038800000000, 0.0007345300000000, 0.0000981500000000 ] - [ -0.0001241300000000, 0.0002931400000000, 0.0000328200000000 ] - [ 0.0000979500000000, 0.0000000000000000, 0.0000887400000000 ] - [ -0.0018392300000000, 0.0000000000000000, 0.0007810300000000 ] - [ -0.0120315500000000, 0.0107214300000000, 0.0212295200000000 ] - [ -0.0005109000000000, -0.0005241100000000, 0.0000707400000000 ] - [ 0.0013524700000000, 0.0006642500000000, 0.0001950000000000 ] - [ -0.0120315500000000, -0.0107214300000000, 0.0212295200000000 ] - [ 0.0001263700000000, 0.0000000000000000, 0.0001253100000000 ] - [ -0.0005109000000000, 0.0005241100000000, 0.0000707400000000 ] - [ -0.0014978900000000, 0.0000000000000000, 0.0002274700000000 ] - [ -0.0000365100000000, 0.0000000000000000, -0.0003455300000000 ] - [ 0.0013524700000000, -0.0006642500000000, 0.0001950000000000 ] - [ 0.0001010500000000, 0.0000000000000000, -0.0003475400000000 ] - [ 0.0001374600000000, 0.0000000000000000, -0.0002838600000000 ] - [ -0.0003585200000000, 0.0000000000000000, -0.0001789400000000 ] - [ 0.0001410400000000, -0.0007904500000000, 0.0001235500000000 ] - [ 0.0003183400000000, 0.0000000000000000, -0.0002970700000000 ] - [ -0.0003248300000000, 0.0000000000000000, 0.0003231900000000 ] - [ -0.0001241300000000, -0.0002931400000000, 0.0000328200000000 ] - [ 0.0001410400000000, 0.0007904500000000, 0.0001235500000000 ] - [ -0.0019611100000000, 0.0015963100000000, -0.0007587700000000 ] - [ 0.0008408800000000, 0.0000000000000000, 0.0001220900000000 ] - [ -0.0003372300000000, 0.0000000000000000, 0.0000136000000000 ] - [ 0.0002419100000000, -0.0004876300000000, -0.0001066700000000 ] - [ -0.0004641800000000, -0.0004251800000000, 0.0001209800000000 ] - [ -0.0004468000000000, -0.0008197100000000, -0.0001871900000000 ] - [ 0.0002419100000000, 0.0004876300000000, -0.0001066700000000 ] - [ 0.0000823500000000, 0.0000000000000000, -0.0000601000000000 ] - [ -0.0004641800000000, 0.0004251800000000, 0.0001209800000000 ] - [ -0.0007063200000000, 0.0000000000000000, 0.0002646200000000 ] - [ -0.0004631700000000, 0.0000000000000000, 0.0001045700000000 ] - [ -0.0004468000000000, 0.0008197100000000, -0.0001871900000000 ] - [ 0.0000927000000000, 0.0000000000000000, -0.0002592100000000 ] - [ -0.0000973100000000, 0.0000000000000000, -0.0002633500000000 ]- atom: 56 displacement: [ 0.0016676867133328, 0.0000000000000000, -0.0098599604982055 ] forces: - [ 0.0029187400000000, 0.0013478200000000, -0.0070646100000000 ] - [ -0.0001377900000000, -0.0000528900000000, -0.0001378400000000 ] - [ 0.0029187400000000, -0.0013478200000000, -0.0070646100000000 ] - [ 0.0000673400000000, 0.0000000000000000, -0.0002110600000000 ] - [ -0.0000427800000000, 0.0001342300000000, -0.0000446100000000 ] - [ 0.0002077100000000, 0.0000000000000000, -0.0002962800000000 ] - [ -0.0000019100000000, 0.0000764600000000, -0.0000684600000000 ] - [ 0.0004748800000000, 0.0000000000000000, 0.0030907100000000 ] - [ -0.0001377900000000, 0.0000528900000000, -0.0001378400000000 ] - [ 0.0000585500000000, 0.0000000000000000, -0.0002022400000000 ] - [ -0.0002145000000000, 0.0000000000000000, -0.0001202500000000 ] - [ -0.0000427800000000, -0.0001342300000000, -0.0000446100000000 ] - [ -0.0002776400000000, 0.0000000000000000, 0.0001453000000000 ] - [ -0.0013097300000000, -0.0000533400000000, -0.0012632800000000 ] - [ 0.0029557900000000, 0.0000000000000000, 0.0059058400000000 ] - [ -0.0003752500000000, -0.0010155600000000, -0.0011847300000000 ] - [ -0.0003752500000000, 0.0010155600000000, -0.0011847300000000 ] - [ 0.0024187600000000, 0.0000000000000000, -0.0024723100000000 ] - [ -0.0000019100000000, -0.0000764600000000, -0.0000684600000000 ] - [ -0.0013097300000000, 0.0000533400000000, -0.0012632800000000 ] - [ -0.0001899700000000, -0.0000705000000000, 0.0000263800000000 ] - [ -0.0002031900000000, -0.0000066300000000, -0.0000932300000000 ] - [ -0.0001899700000000, 0.0000705000000000, 0.0000263800000000 ] - [ 0.0001255100000000, 0.0000000000000000, 0.0000064900000000 ] - [ -0.0000665100000000, 0.0002688700000000, -0.0001871200000000 ] - [ -0.0002948000000000, 0.0000000000000000, -0.0000329200000000 ] - [ -0.0000141700000000, 0.0001106000000000, -0.0000475700000000 ] - [ -0.0002614400000000, 0.0000000000000000, 0.0001777600000000 ] - [ -0.0002031900000000, 0.0000066300000000, -0.0000932300000000 ] - [ 0.0000275700000000, 0.0000000000000000, -0.0002462000000000 ] - [ -0.0001972000000000, 0.0000000000000000, -0.0002056100000000 ] - [ -0.0000665100000000, -0.0002688700000000, -0.0001871200000000 ] - [ -0.0001070000000000, 0.0000000000000000, 0.0018749800000000 ] - [ 0.0000251500000000, 0.0000137800000000, 0.0000669600000000 ] - [ -0.0000062900000000, 0.0000000000000000, 0.0001802100000000 ] - [ -0.0000744500000000, -0.0001090000000000, 0.0000153200000000 ] - [ -0.0000744500000000, 0.0001090000000000, 0.0000153200000000 ] - [ 0.0001443200000000, 0.0000000000000000, -0.0001725000000000 ] - [ -0.0000141700000000, -0.0001106000000000, -0.0000475700000000 ] - [ 0.0000251500000000, -0.0000137800000000, 0.0000669600000000 ] - [ 0.0574041300000000, 0.0000000000000000, -0.1961680800000000 ] - [ -0.0001182300000000, 0.0000000000000000, -0.0001930800000000 ] - [ -0.0007544600000000, 0.0000000000000000, 0.0002834800000000 ] - [ -0.0000250200000000, 0.0000000000000000, 0.0025957000000000 ] - [ -0.0002456300000000, 0.0000000000000000, 0.0001148500000000 ] - [ 0.0001578200000000, 0.0000000000000000, 0.0001357300000000 ] - [ -0.0003420800000000, 0.0000000000000000, -0.0000000500000000 ] - [ -0.0001735500000000, 0.0000000000000000, -0.0000934200000000 ] - [ 0.0009249800000000, 0.0000000000000000, -0.0047184500000000 ] - [ -0.0000567400000000, 0.0000000000000000, -0.0001871100000000 ] - [ -0.0002744600000000, 0.0000000000000000, 0.0001373100000000 ] - [ -0.0003912300000000, 0.0000000000000000, 0.0005484000000000 ] - [ -0.0031261500000000, 0.0000000000000000, -0.0349339400000000 ] - [ 0.0006014100000000, -0.0008628400000000, 0.0002069000000000 ] - [ 0.0000902800000000, 0.0000000000000000, -0.0006843300000000 ] - [ -0.0910868300000000, 0.0000000000000000, 0.2875855600000000 ] - [ 0.0019896200000000, 0.0010304400000000, 0.0007377800000000 ] - [ 0.0006014100000000, 0.0008628400000000, 0.0002069000000000 ] - [ 0.0001244800000000, 0.0002875100000000, -0.0000326400000000 ] - [ 0.0003602800000000, 0.0000000000000000, 0.0001829800000000 ] - [ 0.0014406200000000, 0.0000000000000000, -0.0007248500000000 ] - [ 0.0130122100000000, -0.0119320600000000, -0.0215333900000000 ] - [ -0.0002686900000000, -0.0004791200000000, 0.0001098000000000 ] - [ -0.0019607500000000, -0.0022697400000000, -0.0005185000000000 ] - [ 0.0130122100000000, 0.0119320600000000, -0.0215333900000000 ] - [ 0.0002853600000000, 0.0000000000000000, -0.0001897000000000 ] - [ -0.0002686900000000, 0.0004791200000000, 0.0001098000000000 ] - [ 0.0004987400000000, 0.0000000000000000, 0.0003402600000000 ] - [ -0.0005725100000000, 0.0000000000000000, 0.0006677300000000 ] - [ -0.0019607500000000, 0.0022697400000000, -0.0005185000000000 ] - [ 0.0003349100000000, 0.0000000000000000, -0.0003156200000000 ] - [ 0.0004792300000000, 0.0000000000000000, -0.0001048400000000 ] - [ -0.0000973100000000, 0.0000000000000000, -0.0000945200000000 ] - [ 0.0004565200000000, -0.0008083000000000, 0.0001853100000000 ] - [ 0.0006967200000000, 0.0000000000000000, -0.0002660900000000 ] - [ -0.0001100400000000, 0.0000000000000000, 0.0003395900000000 ] - [ 0.0001244800000000, -0.0002875100000000, -0.0000326400000000 ] - [ 0.0004565200000000, 0.0008083000000000, 0.0001853100000000 ] - [ 0.0019896200000000, -0.0010304400000000, 0.0007377800000000 ] - [ -0.0003973700000000, 0.0000000000000000, 0.0001505800000000 ] - [ -0.0000741500000000, 0.0000000000000000, 0.0000443100000000 ] - [ 0.0005371400000000, -0.0005145100000000, -0.0000744500000000 ] - [ -0.0003168200000000, -0.0005788600000000, 0.0000567400000000 ] - [ -0.0001493300000000, -0.0007721600000000, -0.0001151000000000 ] - [ 0.0005371400000000, 0.0005145100000000, -0.0000744500000000 ] - [ 0.0003326300000000, 0.0000000000000000, -0.0000062800000000 ] - [ -0.0003168200000000, 0.0005788600000000, 0.0000567400000000 ] - [ -0.0002959600000000, 0.0000000000000000, 0.0002966300000000 ] - [ -0.0001527000000000, 0.0000000000000000, 0.0002864800000000 ] - [ -0.0001493300000000, 0.0007721600000000, -0.0001151000000000 ] - [ 0.0003420100000000, 0.0000000000000000, -0.0004064800000000 ] - [ 0.0007173400000000, 0.0000000000000000, -0.0001240000000000 ]- atom: 57 displacement: [ 0.0099999817982353, 0.0000000000000000, 0.0000190797002540 ] forces: - [ -0.0011622300000000, -0.0003991600000000, -0.0001257900000000 ] - [ -0.0012566400000000, 0.0000247000000000, -0.0002723700000000 ] - [ -0.0014684800000000, 0.0003506300000000, 0.0001710300000000 ] - [ -0.0007871000000000, -0.0000046500000000, -0.0001288600000000 ] - [ -0.0006792400000000, 0.0002671700000000, -0.0002201400000000 ] - [ -0.0012476600000000, 0.0000400700000000, -0.0001715500000000 ] - [ -0.0009673100000000, 0.0001279900000000, -0.0002313000000000 ] - [ -0.0011631300000000, -0.0003762100000000, -0.0002652900000000 ] - [ -0.0012301900000000, -0.0000334300000000, -0.0002563600000000 ] - [ -0.0010700600000000, 0.0000024000000000, -0.0004161800000000 ] - [ -0.0013735800000000, 0.0000009900000000, -0.0003204500000000 ] - [ -0.0006827600000000, -0.0002694000000000, -0.0002216400000000 ] - [ -0.0010203500000000, 0.0000015700000000, 0.0000218300000000 ] - [ -0.0010334500000000, 0.0000173300000000, -0.0000529500000000 ] - [ -0.0011766500000000, 0.0001830800000000, -0.0001501800000000 ] - [ 0.0027934900000000, -0.0007368400000000, 0.0009065500000000 ] - [ 0.0068139800000000, 0.0004536400000000, 0.0001778800000000 ] - [ 0.0115878500000000, 0.0024288500000000, -0.0006338800000000 ] - [ -0.0009704500000000, -0.0001271300000000, -0.0002323600000000 ] - [ -0.0008635500000000, -0.0000606700000000, 0.0000001100000000 ] - [ -0.0011939300000000, -0.0000213200000000, -0.0001484100000000 ] - [ -0.0010979300000000, 0.0000382000000000, -0.0001684900000000 ] - [ -0.0011905200000000, 0.0000194500000000, -0.0001470800000000 ] - [ -0.0008244000000000, -0.0000415900000000, -0.0001319500000000 ] - [ 0.0063203600000000, -0.0001535600000000, -0.0002158800000000 ] - [ -0.0012078500000000, 0.0000030900000000, -0.0001721400000000 ] - [ -0.0012320700000000, -0.0001991300000000, 0.0000856900000000 ] - [ -0.0013922600000000, -0.0000033300000000, -0.0000317100000000 ] - [ -0.0012746500000000, 0.0000055400000000, -0.0002238100000000 ] - [ -0.0008456200000000, 0.0003723900000000, -0.0006425400000000 ] - [ -0.0013779200000000, -0.0001832200000000, -0.0005272900000000 ] - [ 0.0028008200000000, 0.0005025100000000, 0.0008458500000000 ] - [ 0.0111597200000000, -0.0023985300000000, -0.0002707300000000 ] - [ -0.0009906900000000, 0.0000528400000000, -0.0000890600000000 ] - [ -0.0011733000000000, -0.0000012500000000, 0.0000609200000000 ] - [ -0.0007074500000000, 0.0000284000000000, -0.0001617400000000 ] - [ -0.0007158200000000, -0.0000240300000000, -0.0001655300000000 ] - [ -0.0006017900000000, -0.0000031400000000, -0.0002980400000000 ] - [ -0.0009323200000000, 0.0002548000000000, -0.0002106200000000 ] - [ -0.0010175400000000, -0.0000453700000000, -0.0001030800000000 ] - [ -0.0010329800000000, 0.0015232700000000, 0.0037332000000000 ] - [ -0.0022244100000000, 0.0000056900000000, -0.0005365100000000 ] - [ -0.0030670900000000, -0.0000069800000000, -0.0004672900000000 ] - [ -0.0029748400000000, -0.0002004000000000, -0.0007049300000000 ] - [ -0.0023605200000000, -0.0000076900000000, -0.0002444200000000 ] - [ -0.0009107600000000, -0.0015271700000000, 0.0033984700000000 ] - [ -0.0031226000000000, 0.0002014600000000, -0.0006005800000000 ] - [ -0.0029192700000000, 0.0000059400000000, -0.0005721300000000 ] - [ 0.0275620000000000, -0.0089499600000000, -0.0088418900000000 ] - [ -0.0018733600000000, 0.0000008700000000, -0.0004167600000000 ] - [ -0.0020918700000000, -0.0000014700000000, -0.0001015600000000 ] - [ 0.0274165100000000, 0.0083768700000000, -0.0086980100000000 ] - [ -0.0039456600000000, -0.0000356000000000, -0.0009696300000000 ] - [ 0.0020776000000000, -0.0010456000000000, 0.0005625000000000 ] - [ 0.0029415700000000, 0.0000254900000000, -0.0000775100000000 ] - [ 0.0046799800000000, 0.0032339500000000, -0.0008543000000000 ] - [ -0.0833862500000000, 0.0002810700000000, 0.0167383900000000 ] - [ 0.0020745600000000, 0.0010475200000000, 0.0005676300000000 ] - [ 0.0015111000000000, 0.0002843500000000, -0.0003824300000000 ] - [ 0.0018181700000000, -0.0000064400000000, 0.0006605400000000 ] - [ 0.0012795200000000, 0.0000768600000000, 0.0003125000000000 ] - [ 0.0008558400000000, -0.0012812800000000, -0.0002336300000000 ] - [ 0.0013789200000000, -0.0003422600000000, 0.0002845500000000 ] - [ 0.0017521500000000, -0.0004499500000000, 0.0002951400000000 ] - [ 0.0021163300000000, 0.0001259100000000, -0.0009135200000000 ] - [ 0.0017823200000000, 0.0000018000000000, 0.0001942000000000 ] - [ 0.0013849200000000, 0.0003356300000000, 0.0002837400000000 ] - [ 0.0018185900000000, -0.0000450200000000, 0.0004632500000000 ] - [ 0.0029804000000000, -0.0049624400000000, -0.0034977100000000 ] - [ 0.0014668800000000, 0.0005521400000000, 0.0002744600000000 ] - [ 0.0015139700000000, -0.0000104900000000, -0.0002389500000000 ] - [ 0.0021728800000000, 0.0000128000000000, 0.0008853100000000 ] - [ 0.0013958300000000, 0.0000170200000000, 0.0003941100000000 ] - [ 0.0023440400000000, -0.0011570300000000, 0.0006109700000000 ] - [ 0.0028571500000000, 0.0000452300000000, -0.0001109500000000 ] - [ 0.0011041500000000, 0.0000219400000000, 0.0004202600000000 ] - [ 0.0014804300000000, -0.0002882300000000, -0.0004023100000000 ] - [ 0.0020561800000000, 0.0010524500000000, 0.0005871100000000 ] - [ -0.0177726900000000, 0.0002687000000000, 0.0071916200000000 ] - [ -0.0034750900000000, 0.0000140800000000, -0.0006435300000000 ] - [ 0.0013707000000000, 0.0000020600000000, 0.0002755700000000 ] - [ 0.0021880600000000, -0.0006565900000000, 0.0001150800000000 ] - [ 0.0000597600000000, 0.0002774600000000, -0.0000550600000000 ] - [ 0.0014830200000000, -0.0005556400000000, 0.0002485700000000 ] - [ 0.0021871200000000, 0.0006646600000000, 0.0001097700000000 ] - [ 0.0016940200000000, -0.0000774400000000, 0.0002366400000000 ] - [ 0.0013180100000000, 0.0008779300000000, -0.0007362400000000 ] - [ 0.0019054700000000, -0.0000304900000000, 0.0004951600000000 ] - [ 0.0015754800000000, -0.0000275200000000, 0.0012684400000000 ] - [ 0.0014835600000000, 0.0005543300000000, 0.0002502300000000 ] - [ 0.0050295500000000, -0.0031771200000000, -0.0015149000000000 ] - [ 0.0034933100000000, 0.0048615900000000, -0.0039051300000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001394600000000, -0.0016716700000000, 0.0000535700000000 ] - [ -0.0001607100000000, -0.0000182200000000, -0.0001052700000000 ] - [ -0.0002185200000000, 0.0016792400000000, -0.0000484500000000 ] - [ 0.0002149900000000, 0.0000006700000000, 0.0000241100000000 ] - [ 0.0000037300000000, 0.0001183300000000, -0.0000337400000000 ] - [ -0.0002844200000000, -0.0000121900000000, -0.0000287400000000 ] - [ 0.0000930900000000, 0.0000709700000000, -0.0000533800000000 ] - [ 0.0010060900000000, 0.0002153000000000, 0.0005392900000000 ] - [ -0.0001801400000000, 0.0000231500000000, -0.0001084400000000 ] - [ 0.0001470200000000, -0.0000022100000000, -0.0001857800000000 ] - [ -0.0001117400000000, -0.0000000200000000, -0.0001892800000000 ] - [ 0.0000083200000000, -0.0001193300000000, -0.0000293500000000 ] - [ -0.0002125200000000, 0.0000038900000000, 0.0001673200000000 ] - [ 0.0001654800000000, 0.0000025800000000, 0.0001434600000000 ] - [ -0.0001716200000000, -0.0000795800000000, -0.0001828200000000 ] - [ -0.0006445000000000, -0.0042134600000000, -0.0006726600000000 ] - [ -0.0039905800000000, 0.0067224300000000, -0.0027241700000000 ] - [ 0.0006185700000000, 0.0053811000000000, -0.0029455800000000 ] - [ 0.0000918100000000, -0.0000720100000000, -0.0000491700000000 ] - [ 0.0000781900000000, 0.0000195900000000, 0.0001037000000000 ] - [ -0.0000918100000000, -0.0000720100000000, 0.0000491700000000 ] - [ -0.0000781900000000, 0.0000195900000000, -0.0001037000000000 ] - [ -0.0000930900000000, 0.0000709700000000, 0.0000533800000000 ] - [ 0.0002844200000000, -0.0000121900000000, 0.0000287400000000 ] - [ 0.0039905800000000, 0.0067224300000000, 0.0027241700000000 ] - [ -0.0002149900000000, 0.0000006700000000, -0.0000241100000000 ] - [ 0.0002185200000000, 0.0016792400000000, 0.0000484500000000 ] - [ -0.0001470200000000, -0.0000022100000000, 0.0001857800000000 ] - [ -0.0001654800000000, 0.0000025800000000, -0.0001434600000000 ] - [ -0.0010060900000000, 0.0002153000000000, -0.0005392900000000 ] - [ 0.0001716200000000, -0.0000795800000000, 0.0001828200000000 ] - [ 0.0006445000000000, -0.0042134600000000, 0.0006726600000000 ] - [ -0.0006185700000000, 0.0053811000000000, 0.0029455800000000 ] - [ 0.0001801400000000, 0.0000231500000000, 0.0001084400000000 ] - [ 0.0001117400000000, -0.0000000200000000, 0.0001892800000000 ] - [ -0.0000083200000000, -0.0001193300000000, 0.0000293500000000 ] - [ -0.0000037300000000, 0.0001183300000000, 0.0000337400000000 ] - [ 0.0002125200000000, 0.0000038900000000, -0.0001673200000000 ] - [ -0.0001394600000000, -0.0016716700000000, -0.0000535700000000 ] - [ 0.0001607100000000, -0.0000182200000000, 0.0001052700000000 ] - [ -0.0066663500000000, -0.0008454600000000, 0.0016341800000000 ] - [ 0.0000635800000000, 0.0000062500000000, -0.0001487300000000 ] - [ -0.0000782600000000, -0.0000075300000000, 0.0000530900000000 ] - [ 0.0002726700000000, 0.0000740600000000, -0.0000722800000000 ] - [ -0.0000635800000000, 0.0000062500000000, 0.0001487300000000 ] - [ 0.0066663500000000, -0.0008454600000000, -0.0016341800000000 ] - [ -0.0002726700000000, 0.0000740600000000, 0.0000722800000000 ] - [ 0.0000782600000000, -0.0000075300000000, -0.0000530900000000 ] - [ -0.0160702800000000, 0.0233111400000000, 0.0161540300000000 ] - [ 0.0000962900000000, -0.0000053400000000, -0.0001788600000000 ] - [ -0.0000962900000000, -0.0000053400000000, 0.0001788600000000 ] - [ 0.0160702800000000, 0.0233111400000000, -0.0161540300000000 ] - [ 0.0053623000000000, 0.0037316800000000, 0.0036546900000000 ] - [ 0.0003188000000000, -0.0008204900000000, 0.0001699300000000 ] - [ 0.0006114600000000, -0.0000226300000000, -0.0002899700000000 ] - [ 0.0065033500000000, 0.0023912400000000, 0.0001137000000000 ] - [ 0.0000000000000000, -0.1017566500000000, 0.0000000000000000 ] - [ 0.0003155100000000, 0.0008282800000000, 0.0001806700000000 ] - [ 0.0000000000000000, 0.0003152900000000, 0.0000000000000000 ] - [ 0.0001520300000000, -0.0000083500000000, 0.0001059600000000 ] - [ -0.0002535600000000, -0.0000388200000000, 0.0000965400000000 ] - [ 0.0012250600000000, -0.0025331000000000, -0.0003507900000000 ] - [ -0.0003764900000000, -0.0004974000000000, 0.0000993300000000 ] - [ -0.0003944100000000, -0.0004716100000000, -0.0001147600000000 ] - [ 0.0008274800000000, 0.0034163000000000, -0.0004506400000000 ] - [ 0.0002251000000000, 0.0000133300000000, -0.0000957600000000 ] - [ -0.0003604300000000, 0.0004881300000000, 0.0000923300000000 ] - [ -0.0005928300000000, 0.0000295100000000, 0.0003124300000000 ] - [ -0.0038702200000000, 0.0002623600000000, -0.0012333800000000 ] - [ -0.0003163500000000, 0.0004527600000000, -0.0001014900000000 ] - [ 0.0002247900000000, -0.0000011800000000, -0.0003055700000000 ] - [ 0.0003255900000000, 0.0000059000000000, -0.0001808600000000 ] - [ -0.0001520300000000, -0.0000083500000000, -0.0001059600000000 ] - [ 0.0003944100000000, -0.0004716100000000, 0.0001147600000000 ] - [ 0.0005928300000000, 0.0000295100000000, -0.0003124300000000 ] - [ -0.0002247900000000, -0.0000011800000000, 0.0003055700000000 ] - [ 0.0000000000000000, -0.0003105300000000, 0.0000000000000000 ] - [ 0.0003163500000000, 0.0004527600000000, 0.0001014900000000 ] - [ 0.0000000000000000, 0.0261368000000000, 0.0000000000000000 ] - [ -0.0053623000000000, 0.0037316800000000, -0.0036546900000000 ] - [ -0.0002251000000000, 0.0000133300000000, 0.0000957600000000 ] - [ 0.0003764900000000, -0.0004974000000000, -0.0000993300000000 ] - [ -0.0012250600000000, -0.0025331000000000, 0.0003507900000000 ] - [ -0.0003188000000000, -0.0008204900000000, -0.0001699300000000 ] - [ 0.0003604300000000, 0.0004881300000000, -0.0000923300000000 ] - [ 0.0002535600000000, -0.0000388200000000, -0.0000965400000000 ] - [ -0.0008274800000000, 0.0034163000000000, 0.0004506400000000 ] - [ -0.0006114600000000, -0.0000226300000000, 0.0002899700000000 ] - [ -0.0003255900000000, 0.0000059000000000, 0.0001808600000000 ] - [ -0.0003155100000000, 0.0008282800000000, -0.0001806700000000 ] - [ -0.0065033500000000, 0.0023912400000000, -0.0001137000000000 ] - [ 0.0038702200000000, 0.0002623600000000, 0.0012333800000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003508600000000, 0.0015293700000000, 0.0000386100000000 ] - [ -0.0001233100000000, -0.0000133400000000, -0.0000865900000000 ] - [ 0.0000234300000000, -0.0015369400000000, 0.0001418600000000 ] - [ 0.0002116800000000, -0.0000028900000000, 0.0000130800000000 ] - [ 0.0000094700000000, 0.0001193000000000, -0.0000322600000000 ] - [ -0.0001425700000000, 0.0000123600000000, -0.0000065200000000 ] - [ 0.0001168900000000, 0.0000702800000000, -0.0000452000000000 ] - [ -0.0013155700000000, -0.0002120200000000, -0.0001625000000000 ] - [ -0.0001189200000000, 0.0000137000000000, -0.0000826300000000 ] - [ 0.0001589700000000, -0.0000014500000000, -0.0001867900000000 ] - [ -0.0001012900000000, 0.0000004600000000, -0.0001871100000000 ] - [ 0.0000119500000000, -0.0001187800000000, -0.0000315500000000 ] - [ -0.0002168000000000, 0.0000020500000000, 0.0001667700000000 ] - [ 0.0000942400000000, 0.0000211000000000, 0.0000386700000000 ] - [ 0.0003821800000000, 0.0000761300000000, 0.0005586200000000 ] - [ 0.0006104000000000, 0.0039649900000000, 0.0007343400000000 ] - [ 0.0039807100000000, -0.0064662200000000, 0.0028001600000000 ] - [ -0.0000128900000000, -0.0048519700000000, 0.0021298800000000 ] - [ 0.0001159100000000, -0.0000694800000000, -0.0000422500000000 ] - [ 0.0001927500000000, -0.0000496700000000, 0.0000823500000000 ] - [ -0.0001159100000000, -0.0000694800000000, 0.0000422500000000 ] - [ -0.0001927500000000, -0.0000496700000000, -0.0000823500000000 ] - [ -0.0001168900000000, 0.0000702800000000, 0.0000452000000000 ] - [ 0.0001425700000000, 0.0000123600000000, 0.0000065200000000 ] - [ -0.0039807100000000, -0.0064662200000000, -0.0028001600000000 ] - [ -0.0002116800000000, -0.0000028900000000, -0.0000130800000000 ] - [ -0.0000234300000000, -0.0015369400000000, -0.0001418600000000 ] - [ -0.0001589700000000, -0.0000014500000000, 0.0001867900000000 ] - [ -0.0000942400000000, 0.0000211000000000, -0.0000386700000000 ] - [ 0.0013155700000000, -0.0002120200000000, 0.0001625000000000 ] - [ -0.0003821800000000, 0.0000761300000000, -0.0005586200000000 ] - [ -0.0006104000000000, 0.0039649900000000, -0.0007343400000000 ] - [ 0.0000128900000000, -0.0048519700000000, -0.0021298800000000 ] - [ 0.0001189200000000, 0.0000137000000000, 0.0000826300000000 ] - [ 0.0001012900000000, 0.0000004600000000, 0.0001871100000000 ] - [ -0.0000119500000000, -0.0001187800000000, 0.0000315500000000 ] - [ -0.0000094700000000, 0.0001193000000000, 0.0000322600000000 ] - [ 0.0002168000000000, 0.0000020500000000, -0.0001667700000000 ] - [ 0.0003508600000000, 0.0015293700000000, -0.0000386100000000 ] - [ 0.0001233100000000, -0.0000133400000000, 0.0000865900000000 ] - [ 0.0065302200000000, 0.0008244700000000, -0.0013292800000000 ] - [ 0.0000696300000000, 0.0000035100000000, -0.0001494100000000 ] - [ -0.0000646500000000, -0.0000071800000000, 0.0000532400000000 ] - [ -0.0001202000000000, -0.0000553500000000, -0.0000366100000000 ] - [ -0.0000696300000000, 0.0000035100000000, 0.0001494100000000 ] - [ -0.0065302200000000, 0.0008244700000000, 0.0013292800000000 ] - [ 0.0001202000000000, -0.0000553500000000, 0.0000366100000000 ] - [ 0.0000646500000000, -0.0000071800000000, -0.0000532400000000 ] - [ 0.0165605500000000, -0.0239528300000000, -0.0163781300000000 ] - [ 0.0001125100000000, -0.0000017600000000, -0.0001616200000000 ] - [ -0.0001125100000000, -0.0000017600000000, 0.0001616200000000 ] - [ -0.0165605500000000, -0.0239528300000000, 0.0163781300000000 ] - [ -0.0057203300000000, -0.0037251200000000, -0.0038806000000000 ] - [ 0.0003058100000000, -0.0008147200000000, 0.0001625300000000 ] - [ 0.0005049900000000, 0.0000018700000000, -0.0003047000000000 ] - [ -0.0069083900000000, -0.0023774100000000, 0.0005206900000000 ] - [ 0.0000000000000000, 0.1014142800000000, 0.0000000000000000 ] - [ 0.0002992500000000, 0.0008175100000000, 0.0001666900000000 ] - [ 0.0000000000000000, 0.0003007800000000, 0.0000000000000000 ] - [ 0.0002027900000000, -0.0000037200000000, 0.0001219900000000 ] - [ -0.0001857700000000, 0.0000291800000000, 0.0000649900000000 ] - [ -0.0004617100000000, 0.0015459400000000, 0.0001638600000000 ] - [ -0.0003983900000000, -0.0005046500000000, 0.0000925800000000 ] - [ -0.0002265900000000, -0.0011799600000000, -0.0002363700000000 ] - [ -0.0000533700000000, -0.0024125000000000, 0.0002651500000000 ] - [ 0.0002126300000000, 0.0000045400000000, -0.0000548400000000 ] - [ -0.0003905000000000, 0.0005005500000000, 0.0000894300000000 ] - [ -0.0005314700000000, -0.0000180700000000, 0.0002864700000000 ] - [ 0.0032417400000000, -0.0002658900000000, 0.0015913700000000 ] - [ -0.0002995600000000, 0.0011843600000000, -0.0002376200000000 ] - [ 0.0002130400000000, -0.0000015100000000, -0.0003211600000000 ] - [ 0.0003082800000000, 0.0000038600000000, -0.0001869600000000 ] - [ -0.0002027900000000, -0.0000037200000000, -0.0001219900000000 ] - [ 0.0002265900000000, -0.0011799600000000, 0.0002363700000000 ] - [ 0.0005314700000000, -0.0000180700000000, -0.0002864700000000 ] - [ -0.0002130400000000, -0.0000015100000000, 0.0003211600000000 ] - [ 0.0000000000000000, -0.0002976400000000, 0.0000000000000000 ] - [ 0.0002995600000000, 0.0011843600000000, 0.0002376200000000 ] - [ 0.0000000000000000, -0.0255815900000000, 0.0000000000000000 ] - [ 0.0057203300000000, -0.0037251200000000, 0.0038806000000000 ] - [ -0.0002126300000000, 0.0000045400000000, 0.0000548400000000 ] - [ 0.0003983900000000, -0.0005046500000000, -0.0000925800000000 ] - [ 0.0004617100000000, 0.0015459400000000, -0.0001638600000000 ] - [ -0.0003058100000000, -0.0008147200000000, -0.0001625300000000 ] - [ 0.0003905000000000, 0.0005005500000000, -0.0000894300000000 ] - [ 0.0001857700000000, 0.0000291800000000, -0.0000649900000000 ] - [ 0.0000533700000000, -0.0024125000000000, -0.0002651500000000 ] - [ -0.0005049900000000, 0.0000018700000000, 0.0003047000000000 ] - [ -0.0003082800000000, 0.0000038600000000, 0.0001869600000000 ] - [ -0.0002992500000000, 0.0008175100000000, -0.0001666900000000 ] - [ 0.0069083900000000, -0.0023774100000000, -0.0005206900000000 ] - [ -0.0032417400000000, -0.0002658900000000, -0.0015913700000000 ]- atom: 57 displacement: [ -0.0016676867133328, 0.0000000000000000, 0.0098599604982055 ] forces: - [ 0.0006342400000000, -0.0001129300000000, 0.0006191700000000 ] - [ 0.0003391100000000, -0.0000295100000000, -0.0000134800000000 ] - [ 0.0001703200000000, 0.0000848700000000, 0.0002957300000000 ] - [ 0.0006293300000000, 0.0000048800000000, 0.0000950200000000 ] - [ 0.0003126200000000, 0.0000568400000000, 0.0000490800000000 ] - [ 0.0002130900000000, -0.0000295700000000, 0.0000576100000000 ] - [ 0.0005561700000000, 0.0000533200000000, 0.0000357000000000 ] - [ 0.0009087900000000, 0.0003580800000000, -0.0002237500000000 ] - [ 0.0003413800000000, 0.0000237100000000, -0.0000037100000000 ] - [ 0.0006810000000000, 0.0000031900000000, -0.0000991600000000 ] - [ 0.0004359400000000, -0.0000007500000000, -0.0001402300000000 ] - [ 0.0003109200000000, -0.0000577000000000, 0.0000515000000000 ] - [ 0.0001336900000000, 0.0000005700000000, 0.0002260100000000 ] - [ 0.0007672400000000, 0.0000879900000000, 0.0002679700000000 ] - [ 0.0006828700000000, -0.0001865200000000, 0.0001214600000000 ] - [ -0.0015360500000000, -0.0011691000000000, -0.0007884300000000 ] - [ -0.0037172700000000, -0.0001218600000000, 0.0043332800000000 ] - [ -0.0033498800000000, -0.0040858800000000, 0.0063752800000000 ] - [ 0.0005545700000000, -0.0000515900000000, 0.0000365000000000 ] - [ 0.0005282400000000, -0.0000152200000000, 0.0001596100000000 ] - [ 0.0003653500000000, -0.0000974900000000, 0.0001260200000000 ] - [ 0.0002769500000000, -0.0000085600000000, -0.0000139100000000 ] - [ 0.0003684400000000, 0.0000952500000000, 0.0001272000000000 ] - [ 0.0006301500000000, 0.0000292300000000, 0.0001035100000000 ] - [ -0.0038290500000000, 0.0003807400000000, 0.0041610200000000 ] - [ 0.0002105000000000, -0.0000059300000000, 0.0000495200000000 ] - [ 0.0003637000000000, 0.0000654600000000, 0.0002083200000000 ] - [ 0.0003644800000000, -0.0000027500000000, 0.0002879900000000 ] - [ 0.0005171700000000, -0.0000662000000000, 0.0000957800000000 ] - [ 0.0012303500000000, -0.0003591000000000, -0.0006172000000000 ] - [ 0.0004805400000000, 0.0001866100000000, -0.0002597000000000 ] - [ -0.0015107400000000, 0.0009335300000000, -0.0008628700000000 ] - [ -0.0039132700000000, 0.0045056800000000, 0.0070169300000000 ] - [ 0.0006017100000000, 0.0000021100000000, 0.0001711400000000 ] - [ 0.0006401600000000, -0.0000001700000000, 0.0002391100000000 ] - [ 0.0002825400000000, -0.0001831700000000, 0.0001176200000000 ] - [ 0.0002740000000000, 0.0001808500000000, 0.0001100200000000 ] - [ 0.0005566000000000, -0.0000023800000000, -0.0001030700000000 ] - [ 0.0008367100000000, -0.0000365200000000, 0.0005372700000000 ] - [ 0.0005851000000000, 0.0000072200000000, 0.0001579000000000 ] - [ -0.0016443600000000, -0.0014471700000000, -0.0013764800000000 ] - [ 0.0010364400000000, 0.0000027400000000, 0.0000224400000000 ] - [ 0.0012412400000000, 0.0000011600000000, 0.0002428000000000 ] - [ 0.0012690500000000, 0.0001354300000000, 0.0000946000000000 ] - [ 0.0009055400000000, -0.0000079600000000, 0.0003098800000000 ] - [ -0.0014812000000000, 0.0014642000000000, -0.0016312100000000 ] - [ 0.0011186600000000, -0.0001342600000000, 0.0001997800000000 ] - [ 0.0013939100000000, 0.0000013100000000, 0.0001392500000000 ] - [ -0.0163417900000000, 0.0113896400000000, 0.0215455800000000 ] - [ 0.0009493500000000, 0.0000013800000000, -0.0000456300000000 ] - [ 0.0007347500000000, -0.0000009600000000, 0.0002679700000000 ] - [ -0.0166154300000000, -0.0119855400000000, 0.0216229100000000 ] - [ 0.0032887300000000, 0.0056126000000000, 0.0088388400000000 ] - [ -0.0004720600000000, -0.0006877600000000, -0.0000202900000000 ] - [ -0.0004727000000000, -0.0000298000000000, -0.0003601800000000 ] - [ -0.0008058700000000, -0.0003339200000000, -0.0001702200000000 ] - [ 0.0305377800000000, -0.0002075900000000, -0.0656040400000000 ] - [ -0.0004684700000000, 0.0006946300000000, -0.0000114200000000 ] - [ -0.0006222100000000, 0.0002877200000000, 0.0001765700000000 ] - [ -0.0004694400000000, -0.0000058600000000, -0.0000909800000000 ] - [ -0.0008731300000000, -0.0000856100000000, -0.0000266500000000 ] - [ 0.0004202200000000, -0.0007354600000000, 0.0000728800000000 ] - [ -0.0011549100000000, -0.0005721300000000, 0.0000043100000000 ] - [ -0.0010482600000000, -0.0010373300000000, -0.0003568400000000 ] - [ -0.0008126400000000, 0.0023774900000000, 0.0003060900000000 ] - [ -0.0004555400000000, 0.0000122500000000, -0.0001208900000000 ] - [ -0.0011482700000000, 0.0005677500000000, 0.0000011200000000 ] - [ -0.0016198200000000, 0.0000613900000000, 0.0001918700000000 ] - [ 0.0024283300000000, -0.0025781900000000, -0.0021650300000000 ] - [ -0.0009011400000000, 0.0009290000000000, -0.0002929900000000 ] - [ -0.0003441400000000, -0.0000042700000000, -0.0003707200000000 ] - [ -0.0004938400000000, 0.0000084500000000, -0.0006471000000000 ] - [ -0.0008900700000000, 0.0000158000000000, -0.0003543100000000 ] - [ -0.0004494100000000, -0.0005660200000000, -0.0000412500000000 ] - [ -0.0005852000000000, -0.0000617400000000, -0.0003799200000000 ] - [ -0.0007623200000000, 0.0000196900000000, 0.0002900800000000 ] - [ -0.0006497200000000, -0.0002915400000000, 0.0001585700000000 ] - [ -0.0003049800000000, 0.0006732200000000, 0.0000221700000000 ] - [ 0.0100741700000000, 0.0002753900000000, -0.0087317700000000 ] - [ 0.0036551900000000, -0.0055618700000000, 0.0090990900000000 ] - [ -0.0008724000000000, -0.0000109400000000, -0.0000415300000000 ] - [ -0.0003647600000000, -0.0004258500000000, -0.0001701600000000 ] - [ -0.0003771000000000, -0.0002696000000000, 0.0002448400000000 ] - [ -0.0010723000000000, -0.0009231800000000, -0.0003374200000000 ] - [ -0.0003601500000000, 0.0004350000000000, -0.0001727600000000 ] - [ -0.0004599900000000, 0.0000859500000000, -0.0001085000000000 ] - [ -0.0016255900000000, -0.0013780000000000, 0.0004765100000000 ] - [ -0.0015099900000000, 0.0000280500000000, 0.0002142800000000 ] - [ -0.0010940200000000, -0.0000251200000000, -0.0002662900000000 ] - [ -0.0010607900000000, 0.0009139600000000, -0.0003262300000000 ] - [ -0.0003627000000000, 0.0003173600000000, -0.0008570000000000 ] - [ 0.0030655900000000, 0.0026188600000000, -0.0025723600000000 ]- atom: 61 displacement: [ 0.0099999817982353, 0.0000000000000000, 0.0000190797002540 ] forces: - [ 0.0005237900000000, -0.0005230000000000, 0.0010262000000000 ] - [ -0.0003456300000000, 0.0020573600000000, -0.0006198900000000 ] - [ 0.0005237900000000, 0.0005230000000000, 0.0010262000000000 ] - [ 0.0228480900000000, 0.0000000000000000, 0.0133906700000000 ] - [ -0.0007107000000000, 0.0002704200000000, -0.0002193000000000 ] - [ 0.0049789900000000, 0.0000000000000000, 0.0010074700000000 ] - [ -0.0011703600000000, 0.0000800200000000, -0.0002788200000000 ] - [ -0.0079874400000000, 0.0000000000000000, -0.0048567100000000 ] - [ -0.0003456300000000, -0.0020573600000000, -0.0006198900000000 ] - [ -0.0006100400000000, 0.0000000000000000, -0.0001429800000000 ] - [ -0.0039467400000000, 0.0000000000000000, -0.0002168000000000 ] - [ -0.0007107000000000, -0.0002704200000000, -0.0002193000000000 ] - [ -0.0010610700000000, 0.0000000000000000, 0.0000053600000000 ] - [ 0.0147563800000000, 0.0107637000000000, -0.0055683100000000 ] - [ 0.0043977900000000, 0.0000000000000000, 0.0000161900000000 ] - [ -0.0006098200000000, 0.0000124700000000, -0.0004381500000000 ] - [ -0.0006098200000000, -0.0000124700000000, -0.0004381500000000 ] - [ -0.0005905800000000, 0.0000000000000000, -0.0001888100000000 ] - [ -0.0011703600000000, -0.0000800200000000, -0.0002788200000000 ] - [ 0.0147563800000000, -0.0107637000000000, -0.0055683100000000 ] - [ -0.0012311400000000, -0.0000200200000000, -0.0001570000000000 ] - [ -0.0012887900000000, 0.0000282600000000, -0.0002722300000000 ] - [ -0.0012311400000000, 0.0000200200000000, -0.0001570000000000 ] - [ -0.0008375600000000, 0.0000000000000000, -0.0001502700000000 ] - [ -0.0007117700000000, 0.0002716100000000, -0.0002242100000000 ] - [ -0.0012604600000000, 0.0000000000000000, -0.0001892900000000 ] - [ -0.0010250700000000, 0.0001292900000000, -0.0002407600000000 ] - [ -0.0014490200000000, 0.0000000000000000, -0.0000368400000000 ] - [ -0.0012887900000000, -0.0000282600000000, -0.0002722300000000 ] - [ -0.0011298000000000, 0.0000000000000000, -0.0004278500000000 ] - [ -0.0014361500000000, 0.0000000000000000, -0.0003211800000000 ] - [ -0.0007117700000000, -0.0002716100000000, -0.0002242100000000 ] - [ -0.0010869200000000, 0.0000000000000000, -0.0000642700000000 ] - [ -0.0010598800000000, 0.0000506000000000, -0.0001098500000000 ] - [ -0.0012350500000000, 0.0000000000000000, 0.0000588900000000 ] - [ -0.0007494300000000, 0.0000321300000000, -0.0001708600000000 ] - [ -0.0007494300000000, -0.0000321300000000, -0.0001708600000000 ] - [ -0.0006373700000000, 0.0000000000000000, -0.0002997900000000 ] - [ -0.0010250700000000, -0.0001292900000000, -0.0002407600000000 ] - [ -0.0010598800000000, -0.0000506000000000, -0.0001098500000000 ] - [ -0.0023370900000000, 0.0000000000000000, 0.0015844600000000 ] - [ -0.0024371400000000, 0.0000000000000000, -0.0006505800000000 ] - [ 0.0107011900000000, 0.0000000000000000, 0.0025916500000000 ] - [ 0.0659665900000000, 0.0000000000000000, -0.0428651500000000 ] - [ -0.0024558900000000, 0.0000000000000000, -0.0002617900000000 ] - [ -0.0023598700000000, 0.0000000000000000, -0.0005782800000000 ] - [ -0.0032413800000000, 0.0000000000000000, -0.0004747200000000 ] - [ -0.0030883200000000, 0.0000000000000000, -0.0005756500000000 ] - [ -0.0022368800000000, 0.0000000000000000, 0.0002754800000000 ] - [ -0.0019701300000000, 0.0000000000000000, -0.0004604200000000 ] - [ -0.0021918400000000, 0.0000000000000000, -0.0001145200000000 ] - [ -0.0019461100000000, 0.0000000000000000, -0.0004591400000000 ] - [ 0.0022995600000000, 0.0000000000000000, 0.0004925700000000 ] - [ 0.0017463900000000, 0.0043301100000000, 0.0007420300000000 ] - [ 0.0054305400000000, 0.0000000000000000, -0.0216458000000000 ] - [ 0.0003581700000000, 0.0000000000000000, -0.0012272900000000 ] - [ 0.0014880200000000, -0.0003104000000000, -0.0004270800000000 ] - [ 0.0017463900000000, -0.0043301100000000, 0.0007420300000000 ] - [ 0.0015757500000000, 0.0002845500000000, -0.0004080900000000 ] - [ 0.0018665600000000, 0.0000000000000000, 0.0006720400000000 ] - [ -0.0988892800000000, 0.0000000000000000, 0.0614873100000000 ] - [ 0.0049764400000000, -0.0060727900000000, -0.0011437400000000 ] - [ 0.0013629900000000, -0.0006384200000000, 0.0004135200000000 ] - [ -0.0145854100000000, 0.0020577500000000, 0.0011453000000000 ] - [ 0.0049764400000000, 0.0060727900000000, -0.0011437400000000 ] - [ -0.0035758700000000, 0.0000000000000000, -0.0013300800000000 ] - [ 0.0013629900000000, 0.0006384200000000, 0.0004135200000000 ] - [ -0.0128454800000000, 0.0000000000000000, 0.0003333400000000 ] - [ 0.0007733600000000, 0.0000000000000000, 0.0018325600000000 ] - [ -0.0145854100000000, -0.0020577500000000, 0.0011453000000000 ] - [ 0.0015952900000000, 0.0000000000000000, -0.0001791100000000 ] - [ 0.0023737100000000, 0.0000000000000000, 0.0009027300000000 ] - [ 0.0014495600000000, 0.0000000000000000, 0.0004119500000000 ] - [ 0.0021728900000000, -0.0010583800000000, 0.0005813900000000 ] - [ 0.0030124100000000, 0.0000000000000000, -0.0000858100000000 ] - [ 0.0011533400000000, 0.0000000000000000, 0.0004305800000000 ] - [ 0.0015757500000000, -0.0002845500000000, -0.0004080900000000 ] - [ 0.0021728900000000, 0.0010583800000000, 0.0005813900000000 ] - [ 0.0014880200000000, 0.0003104000000000, -0.0004270800000000 ] - [ 0.0019613300000000, 0.0000000000000000, 0.0006880900000000 ] - [ 0.0014411400000000, 0.0000000000000000, 0.0002618600000000 ] - [ 0.0022633000000000, -0.0006735100000000, 0.0001173900000000 ] - [ 0.0014830900000000, -0.0003271200000000, 0.0003002100000000 ] - [ 0.0015785900000000, -0.0005358300000000, 0.0002766000000000 ] - [ 0.0022633000000000, 0.0006735100000000, 0.0001173900000000 ] - [ 0.0018514900000000, 0.0000000000000000, 0.0002010700000000 ] - [ 0.0014830900000000, 0.0003271200000000, 0.0003002100000000 ] - [ 0.0020044100000000, 0.0000000000000000, 0.0004780700000000 ] - [ 0.0016584900000000, 0.0000000000000000, 0.0013271800000000 ] - [ 0.0015785900000000, 0.0005358300000000, 0.0002766000000000 ] - [ 0.0015829300000000, 0.0000000000000000, -0.0002274600000000 ] - [ 0.0022592600000000, 0.0000000000000000, 0.0009323300000000 ]- atom: 61 displacement: [ -0.0099999817982353, 0.0000000000000000, -0.0000190797002540 ] forces: - [ -0.0007583500000000, 0.0003803100000000, -0.0009545800000000 ] - [ 0.0001219400000000, -0.0020721900000000, 0.0004559200000000 ] - [ -0.0007583500000000, -0.0003803100000000, -0.0009545800000000 ] - [ -0.0216502000000000, 0.0000000000000000, -0.0125217800000000 ] - [ 0.0007460800000000, -0.0000250700000000, 0.0001581400000000 ] - [ -0.0053707800000000, 0.0000000000000000, -0.0010353700000000 ] - [ 0.0013763700000000, 0.0000704200000000, 0.0001959600000000 ] - [ 0.0075905300000000, 0.0000000000000000, 0.0052598800000000 ] - [ 0.0001219400000000, 0.0020721900000000, 0.0004559200000000 ] - [ 0.0009293200000000, 0.0000000000000000, -0.0002492600000000 ] - [ 0.0037175500000000, 0.0000000000000000, -0.0001578400000000 ] - [ 0.0007460800000000, 0.0000250700000000, 0.0001581400000000 ] - [ 0.0006398200000000, 0.0000000000000000, 0.0003130400000000 ] - [ -0.0145117600000000, -0.0109959800000000, 0.0058711700000000 ] - [ -0.0042324200000000, 0.0000000000000000, 0.0003771800000000 ] - [ 0.0005719200000000, -0.0002555500000000, 0.0005020600000000 ] - [ 0.0005719200000000, 0.0002555500000000, 0.0005020600000000 ] - [ 0.0010101200000000, 0.0000000000000000, -0.0001304400000000 ] - [ 0.0013763700000000, -0.0000704200000000, 0.0001959600000000 ] - [ -0.0145117600000000, 0.0109959800000000, 0.0058711700000000 ] - [ 0.0010278600000000, -0.0001297700000000, 0.0002401500000000 ] - [ 0.0010594100000000, -0.0000503100000000, 0.0001098700000000 ] - [ 0.0010278600000000, 0.0001297700000000, 0.0002401500000000 ] - [ 0.0012605200000000, 0.0000000000000000, 0.0001884500000000 ] - [ 0.0007480300000000, -0.0000268900000000, 0.0001630500000000 ] - [ 0.0008392000000000, 0.0000000000000000, 0.0001488500000000 ] - [ 0.0012298500000000, 0.0000210000000000, 0.0001574700000000 ] - [ 0.0011306800000000, 0.0000000000000000, 0.0004302800000000 ] - [ 0.0010594100000000, 0.0000503100000000, 0.0001098700000000 ] - [ 0.0014490300000000, 0.0000000000000000, 0.0000352700000000 ] - [ 0.0012357200000000, 0.0000000000000000, -0.0000595300000000 ] - [ 0.0007480300000000, 0.0000268900000000, 0.0001630500000000 ] - [ 0.0006664000000000, 0.0000000000000000, 0.0003826200000000 ] - [ 0.0012887500000000, -0.0000285300000000, 0.0002713400000000 ] - [ 0.0014352400000000, 0.0000000000000000, 0.0003219800000000 ] - [ 0.0007136900000000, -0.0002769200000000, 0.0002324600000000 ] - [ 0.0007136900000000, 0.0002769200000000, 0.0002324600000000 ] - [ 0.0010584800000000, 0.0000000000000000, -0.0000191000000000 ] - [ 0.0012298500000000, -0.0000210000000000, 0.0001574700000000 ] - [ 0.0012887500000000, 0.0000285300000000, 0.0002713400000000 ] - [ 0.0022172000000000, 0.0000000000000000, -0.0013038800000000 ] - [ 0.0025473900000000, 0.0000000000000000, 0.0003535300000000 ] - [ -0.0107507000000000, 0.0000000000000000, -0.0024801200000000 ] - [ -0.0663787400000000, 0.0000000000000000, 0.0426941700000000 ] - [ 0.0023460900000000, 0.0000000000000000, 0.0005575200000000 ] - [ 0.0024705300000000, 0.0000000000000000, 0.0002815900000000 ] - [ 0.0030861900000000, 0.0000000000000000, 0.0005750700000000 ] - [ 0.0032441600000000, 0.0000000000000000, 0.0004759900000000 ] - [ 0.0020202400000000, 0.0000000000000000, 0.0000342100000000 ] - [ 0.0021887100000000, 0.0000000000000000, 0.0001453000000000 ] - [ 0.0019752100000000, 0.0000000000000000, 0.0004283500000000 ] - [ 0.0021627100000000, 0.0000000000000000, 0.0001468500000000 ] - [ -0.0027750000000000, 0.0000000000000000, -0.0007638500000000 ] - [ -0.0011438200000000, -0.0058793900000000, -0.0004222300000000 ] - [ -0.0042846700000000, 0.0000000000000000, 0.0207868300000000 ] - [ -0.0007794100000000, 0.0000000000000000, 0.0019074500000000 ] - [ -0.0014882200000000, -0.0002568400000000, 0.0004250200000000 ] - [ -0.0011438200000000, 0.0058793900000000, -0.0004222300000000 ] - [ -0.0015757900000000, 0.0002809300000000, 0.0004091800000000 ] - [ -0.0013972000000000, 0.0000000000000000, -0.0003996400000000 ] - [ 0.0982701800000000, 0.0000000000000000, -0.0625183500000000 ] - [ -0.0042434800000000, 0.0051377200000000, 0.0009854300000000 ] - [ -0.0021526600000000, -0.0003707200000000, -0.0002347400000000 ] - [ 0.0140223100000000, -0.0036219900000000, -0.0013123700000000 ] - [ -0.0042434800000000, -0.0051377200000000, 0.0009854300000000 ] - [ 0.0039555200000000, 0.0000000000000000, 0.0012677600000000 ] - [ -0.0021526600000000, 0.0003707200000000, -0.0002347400000000 ] - [ 0.0117887100000000, 0.0000000000000000, 0.0002208600000000 ] - [ -0.0013686300000000, 0.0000000000000000, -0.0014520300000000 ] - [ 0.0140223100000000, 0.0036219900000000, -0.0013123700000000 ] - [ -0.0011652000000000, 0.0000000000000000, -0.0004857300000000 ] - [ -0.0017696800000000, 0.0000000000000000, -0.0012925700000000 ] - [ -0.0019192700000000, 0.0000000000000000, -0.0006882600000000 ] - [ -0.0015811500000000, -0.0005321000000000, -0.0002777300000000 ] - [ -0.0020109300000000, 0.0000000000000000, -0.0004759200000000 ] - [ -0.0015840400000000, 0.0000000000000000, 0.0002371900000000 ] - [ -0.0015757900000000, -0.0002809300000000, 0.0004091800000000 ] - [ -0.0015811500000000, 0.0005321000000000, -0.0002777300000000 ] - [ -0.0014882200000000, 0.0002568400000000, 0.0004250200000000 ] - [ -0.0014933800000000, 0.0000000000000000, -0.0004132500000000 ] - [ -0.0018504400000000, 0.0000000000000000, -0.0002062100000000 ] - [ -0.0014753800000000, -0.0003347600000000, -0.0002956500000000 ] - [ -0.0022708100000000, -0.0006790800000000, -0.0001227800000000 ] - [ -0.0021712200000000, -0.0010557300000000, -0.0005800300000000 ] - [ -0.0014753800000000, 0.0003347600000000, -0.0002956500000000 ] - [ -0.0014438100000000, 0.0000000000000000, -0.0002584700000000 ] - [ -0.0022708100000000, 0.0006790800000000, -0.0001227800000000 ] - [ -0.0030056600000000, 0.0000000000000000, 0.0000842800000000 ] - [ -0.0022631300000000, 0.0000000000000000, -0.0009373100000000 ] - [ -0.0021712200000000, 0.0010557300000000, -0.0005800300000000 ] - [ -0.0011537300000000, 0.0000000000000000, -0.0004385700000000 ] - [ -0.0016555600000000, 0.0000000000000000, -0.0013212300000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0024438000000000, 0.0003939700000000, -0.0001127600000000 ] - [ 0.0003578500000000, -0.0000436300000000, 0.0001714000000000 ] - [ 0.0022344300000000, 0.0005435700000000, 0.0001930900000000 ] - [ 0.0001641200000000, 0.0053554200000000, -0.0000120800000000 ] - [ 0.0000531200000000, 0.0001237000000000, -0.0000164600000000 ] - [ -0.0002070000000000, -0.0043975100000000, -0.0000261400000000 ] - [ 0.0003886100000000, 0.0000535200000000, 0.0000732900000000 ] - [ -0.0001832200000000, 0.0049897400000000, 0.0001893400000000 ] - [ -0.0006120400000000, 0.0000027500000000, -0.0003477100000000 ] - [ 0.0001563900000000, -0.0001981200000000, -0.0001925300000000 ] - [ -0.0000948800000000, 0.0007792100000000, -0.0001850000000000 ] - [ -0.0000180200000000, -0.0001167300000000, -0.0000426300000000 ] - [ -0.0002083000000000, -0.0000019500000000, 0.0001625900000000 ] - [ 0.0115879500000000, 0.0259190000000000, -0.0133949900000000 ] - [ 0.0001115900000000, -0.0072665400000000, 0.0002092600000000 ] - [ -0.0004136400000000, -0.0001602000000000, -0.0002905600000000 ] - [ 0.0003858500000000, 0.0000833100000000, 0.0003509400000000 ] - [ 0.0002119400000000, 0.0000265400000000, -0.0001600700000000 ] - [ -0.0001892600000000, -0.0000948500000000, -0.0001620300000000 ] - [ -0.0120715800000000, 0.0269977800000000, 0.0144017400000000 ] - [ -0.0000971600000000, -0.0000756000000000, 0.0000441300000000 ] - [ -0.0001265300000000, -0.0000158600000000, -0.0000901900000000 ] - [ -0.0000951300000000, 0.0000735600000000, 0.0000456400000000 ] - [ 0.0002097800000000, 0.0000010600000000, 0.0000222300000000 ] - [ 0.0000074100000000, 0.0001218700000000, -0.0000359600000000 ] - [ -0.0002087200000000, -0.0000021200000000, -0.0000206100000000 ] - [ 0.0001000200000000, 0.0000756800000000, -0.0000438900000000 ] - [ -0.0001542700000000, -0.0000027000000000, 0.0001935900000000 ] - [ -0.0001273000000000, 0.0000108000000000, -0.0000824700000000 ] - [ 0.0001583700000000, 0.0000035700000000, -0.0001926100000000 ] - [ -0.0001014400000000, -0.0000005200000000, -0.0001895300000000 ] - [ 0.0000222200000000, -0.0001198300000000, -0.0000233600000000 ] - [ -0.0002098600000000, 0.0000424400000000, 0.0001611500000000 ] - [ 0.0001358600000000, 0.0000159800000000, 0.0000938300000000 ] - [ 0.0001037400000000, -0.0000009100000000, 0.0001898700000000 ] - [ -0.0000157100000000, -0.0001220300000000, 0.0000335100000000 ] - [ -0.0000196700000000, 0.0001187500000000, 0.0000273200000000 ] - [ 0.0002107800000000, -0.0000034300000000, -0.0001614000000000 ] - [ 0.0000997000000000, -0.0000737800000000, -0.0000442800000000 ] - [ 0.0001203200000000, -0.0000086500000000, 0.0000813500000000 ] - [ -0.0000575700000000, -0.0065031100000000, 0.0001476300000000 ] - [ 0.0000642100000000, 0.0002975500000000, -0.0001471300000000 ] - [ -0.0001279900000000, -0.0074760900000000, 0.0000477600000000 ] - [ -0.0000689600000000, 0.0402417500000000, 0.0005317300000000 ] - [ -0.0000604000000000, -0.0000068900000000, 0.0001462100000000 ] - [ 0.0000608600000000, -0.0000034200000000, -0.0001476100000000 ] - [ -0.0000757400000000, -0.0000025500000000, 0.0000509200000000 ] - [ 0.0000787500000000, 0.0000042900000000, -0.0000508800000000 ] - [ -0.0001076400000000, 0.0002509300000000, 0.0001572000000000 ] - [ 0.0001080500000000, -0.0000061800000000, -0.0001584700000000 ] - [ -0.0001048600000000, 0.0000016900000000, 0.0001593300000000 ] - [ 0.0001100600000000, -0.0000499400000000, -0.0001591000000000 ] - [ -0.0002244400000000, 0.0013520600000000, -0.0001325700000000 ] - [ 0.0028304600000000, 0.0014006100000000, 0.0012432900000000 ] - [ 0.0004923200000000, -0.0078362100000000, -0.0002379700000000 ] - [ -0.0002081200000000, 0.0019726200000000, 0.0003300400000000 ] - [ 0.0000861900000000, -0.0003211600000000, -0.0000645600000000 ] - [ -0.0021957800000000, 0.0030312300000000, -0.0009111500000000 ] - [ 0.0000047800000000, 0.0002849100000000, 0.0000119300000000 ] - [ 0.0002186500000000, -0.0000501200000000, 0.0001313400000000 ] - [ 0.0008056500000000, -0.1136473500000000, -0.0013491900000000 ] - [ -0.0056663000000000, 0.0036076200000000, -0.0003960100000000 ] - [ -0.0005354800000000, -0.0006264200000000, 0.0000229000000000 ] - [ 0.0015894400000000, 0.0027310300000000, 0.0192202900000000 ] - [ 0.0064261100000000, 0.0046157700000000, 0.0002270900000000 ] - [ 0.0002184200000000, 0.0016610500000000, -0.0000443900000000 ] - [ -0.0002592600000000, 0.0003735600000000, 0.0001468500000000 ] - [ -0.0005039500000000, 0.0185580400000000, 0.0003281700000000 ] - [ -0.0002969700000000, -0.0011654900000000, 0.0001920000000000 ] - [ -0.0022288700000000, 0.0043132600000000, -0.0196514000000000 ] - [ 0.0002086400000000, -0.0001671400000000, -0.0003272600000000 ] - [ 0.0002986200000000, 0.0001625900000000, -0.0001889300000000 ] - [ -0.0002178900000000, 0.0000151800000000, -0.0001306200000000 ] - [ 0.0003024000000000, -0.0008043800000000, 0.0001570500000000 ] - [ 0.0005192100000000, -0.0000063300000000, -0.0002868800000000 ] - [ -0.0002075600000000, 0.0000185900000000, 0.0003269700000000 ] - [ -0.0000077200000000, -0.0002838600000000, -0.0000093100000000 ] - [ 0.0002980800000000, 0.0008065400000000, 0.0001615700000000 ] - [ -0.0000877000000000, 0.0002539600000000, 0.0000636700000000 ] - [ 0.0002206400000000, -0.0000104000000000, 0.0001348000000000 ] - [ -0.0002094700000000, -0.0000051900000000, 0.0000427100000000 ] - [ 0.0003911700000000, -0.0004966600000000, -0.0000836300000000 ] - [ -0.0004018600000000, -0.0005024700000000, 0.0000855200000000 ] - [ -0.0003038500000000, -0.0008071300000000, -0.0001632700000000 ] - [ 0.0003934800000000, 0.0005043100000000, -0.0000874900000000 ] - [ 0.0002094400000000, 0.0000055100000000, -0.0000404200000000 ] - [ -0.0003898200000000, 0.0005020500000000, 0.0000857600000000 ] - [ -0.0005196300000000, 0.0000052700000000, 0.0002863700000000 ] - [ -0.0002973300000000, -0.0000224100000000, 0.0001882100000000 ] - [ -0.0003005500000000, 0.0008025800000000, -0.0001569300000000 ] - [ 0.0002084100000000, -0.0000010900000000, -0.0003289900000000 ] - [ 0.0002991300000000, 0.0000001600000000, -0.0001901300000000 ]- atom: 61 displacement: [ -0.0016676867133328, 0.0000000000000000, 0.0098599604982055 ] forces: - [ -0.0014092200000000, 0.0004947900000000, -0.0016986200000000 ] - [ 0.0006640300000000, -0.0012509900000000, -0.0009986300000000 ] - [ -0.0014092200000000, -0.0004947900000000, -0.0016986200000000 ] - [ 0.0065925500000000, 0.0000000000000000, 0.0086524700000000 ] - [ 0.0000213600000000, 0.0000892000000000, 0.0000253200000000 ] - [ 0.0020169400000000, 0.0000000000000000, -0.0013289700000000 ] - [ -0.0000939900000000, -0.0000536700000000, -0.0002845100000000 ] - [ -0.0003867100000000, 0.0000000000000000, 0.0051368300000000 ] - [ 0.0006640300000000, 0.0012509900000000, -0.0009986300000000 ] - [ 0.0001302500000000, 0.0000000000000000, 0.0001032900000000 ] - [ 0.0002693500000000, 0.0000000000000000, 0.0016943900000000 ] - [ 0.0000213600000000, -0.0000892000000000, 0.0000253200000000 ] - [ -0.0001813600000000, 0.0000000000000000, 0.0001507400000000 ] - [ -0.0067169900000000, -0.0135806200000000, 0.0096860000000000 ] - [ -0.0010554800000000, 0.0000000000000000, 0.0033707400000000 ] - [ -0.0000966700000000, -0.0002054600000000, 0.0003159200000000 ] - [ -0.0000966700000000, 0.0002054600000000, 0.0003159200000000 ] - [ 0.0002281900000000, 0.0000000000000000, -0.0002605200000000 ] - [ -0.0000939900000000, 0.0000536700000000, -0.0002845100000000 ] - [ -0.0067169900000000, 0.0135806200000000, 0.0096860000000000 ] - [ -0.0000711800000000, -0.0000740400000000, 0.0000486100000000 ] - [ -0.0000836900000000, -0.0000118200000000, -0.0000774800000000 ] - [ -0.0000711800000000, 0.0000740400000000, 0.0000486100000000 ] - [ 0.0002413500000000, 0.0000000000000000, 0.0000235500000000 ] - [ 0.0000372700000000, 0.0001234200000000, -0.0000326800000000 ] - [ -0.0001834300000000, 0.0000000000000000, -0.0000156200000000 ] - [ 0.0001343800000000, 0.0000737700000000, -0.0000366700000000 ] - [ -0.0001214500000000, 0.0000000000000000, 0.0002000600000000 ] - [ -0.0000836900000000, 0.0000118200000000, -0.0000774800000000 ] - [ 0.0001933200000000, 0.0000000000000000, -0.0001876400000000 ] - [ -0.0000640200000000, 0.0000000000000000, -0.0001863900000000 ] - [ 0.0000372700000000, -0.0001234200000000, -0.0000326800000000 ] - [ -0.0001436600000000, 0.0000000000000000, 0.0002456900000000 ] - [ 0.0001500400000000, 0.0000091900000000, 0.0000870500000000 ] - [ 0.0001399000000000, 0.0000000000000000, 0.0001941500000000 ] - [ 0.0000049000000000, -0.0001244400000000, 0.0000349200000000 ] - [ 0.0000049000000000, 0.0001244400000000, 0.0000349200000000 ] - [ 0.0002422300000000, 0.0000000000000000, -0.0001437200000000 ] - [ 0.0001343800000000, -0.0000737700000000, -0.0000366700000000 ] - [ 0.0001500400000000, -0.0000091900000000, 0.0000870500000000 ] - [ 0.0009635000000000, 0.0000000000000000, -0.0017934000000000 ] - [ 0.0005388800000000, 0.0000000000000000, -0.0003485300000000 ] - [ -0.0024514400000000, 0.0000000000000000, 0.0040042000000000 ] - [ -0.0532056500000000, 0.0000000000000000, 0.2158843400000000 ] - [ 0.0000144000000000, 0.0000000000000000, 0.0001634500000000 ] - [ 0.0001509900000000, 0.0000000000000000, -0.0001139200000000 ] - [ 0.0000068200000000, 0.0000000000000000, 0.0000640800000000 ] - [ 0.0001641800000000, 0.0000000000000000, -0.0000350300000000 ] - [ -0.0000211100000000, 0.0000000000000000, -0.0003695900000000 ] - [ 0.0001597000000000, 0.0000000000000000, -0.0002861700000000 ] - [ -0.0000547900000000, 0.0000000000000000, 0.0001668700000000 ] - [ 0.0001498500000000, 0.0000000000000000, -0.0001388900000000 ] - [ -0.0011387900000000, 0.0000000000000000, -0.0002317700000000 ] - [ 0.0027036600000000, 0.0001001200000000, 0.0001145300000000 ] - [ -0.0137050200000000, 0.0000000000000000, 0.0176198500000000 ] - [ 0.0003732300000000, 0.0000000000000000, 0.0014476300000000 ] - [ 0.0000229300000000, -0.0002902400000000, 0.0000499000000000 ] - [ 0.0027036600000000, -0.0001001200000000, 0.0001145300000000 ] - [ -0.0000318400000000, 0.0002873300000000, 0.0000267600000000 ] - [ 0.0000699500000000, 0.0000000000000000, 0.0000973700000000 ] - [ 0.0758457500000000, 0.0000000000000000, -0.3242376700000000 ] - [ -0.0020989100000000, 0.0016534200000000, -0.0002717900000000 ] - [ -0.0009412700000000, -0.0002796000000000, 0.0000508700000000 ] - [ -0.0001771700000000, 0.0108492200000000, 0.0292661700000000 ] - [ -0.0020989100000000, -0.0016534200000000, -0.0002717900000000 ] - [ -0.0004350100000000, 0.0000000000000000, -0.0016943300000000 ] - [ -0.0009412700000000, 0.0002796000000000, 0.0000508700000000 ] - [ 0.0000671300000000, 0.0000000000000000, -0.0004634800000000 ] - [ 0.0007484700000000, 0.0000000000000000, 0.0005053400000000 ] - [ -0.0001771700000000, -0.0108492200000000, 0.0292661700000000 ] - [ 0.0002424700000000, 0.0000000000000000, -0.0001479800000000 ] - [ 0.0005650400000000, 0.0000000000000000, -0.0001558600000000 ] - [ -0.0002836000000000, 0.0000000000000000, -0.0001531100000000 ] - [ 0.0002509300000000, -0.0007981600000000, 0.0001475100000000 ] - [ 0.0004489900000000, 0.0000000000000000, -0.0002900000000000 ] - [ -0.0002527800000000, 0.0000000000000000, 0.0003277700000000 ] - [ -0.0000318400000000, -0.0002873300000000, 0.0000267600000000 ] - [ 0.0002509300000000, 0.0007981600000000, 0.0001475100000000 ] - [ 0.0000229300000000, 0.0002902400000000, 0.0000499000000000 ] - [ 0.0001218700000000, 0.0000000000000000, 0.0001111100000000 ] - [ -0.0002550300000000, 0.0000000000000000, 0.0000317400000000 ] - [ 0.0003375500000000, -0.0004968500000000, -0.0000952800000000 ] - [ -0.0004516700000000, -0.0005154800000000, 0.0000775000000000 ] - [ -0.0003547800000000, -0.0008104100000000, -0.0001686800000000 ] - [ 0.0003375500000000, 0.0004968500000000, -0.0000952800000000 ] - [ 0.0001635500000000, 0.0000000000000000, -0.0000469700000000 ] - [ -0.0004516700000000, 0.0005154800000000, 0.0000775000000000 ] - [ -0.0005845100000000, 0.0000000000000000, 0.0002786700000000 ] - [ -0.0003598900000000, 0.0000000000000000, 0.0001639000000000 ] - [ -0.0003547800000000, 0.0008104100000000, -0.0001686800000000 ] - [ 0.0001729500000000, 0.0000000000000000, -0.0003362600000000 ] - [ 0.0002625700000000, 0.0000000000000000, -0.0002058200000000 ]- atom: 61 displacement: [ 0.0016676867133328, 0.0000000000000000, -0.0098599604982055 ] forces: - [ 0.0012310400000000, -0.0006356400000000, 0.0017865900000000 ] - [ -0.0009074400000000, 0.0012441600000000, 0.0008392000000000 ] - [ 0.0012310400000000, 0.0006356400000000, 0.0017865900000000 ] - [ -0.0057854400000000, 0.0000000000000000, -0.0084009600000000 ] - [ 0.0000096600000000, 0.0001496400000000, -0.0000895500000000 ] - [ -0.0024610500000000, 0.0000000000000000, 0.0012938000000000 ] - [ 0.0003010500000000, 0.0002036800000000, 0.0002010200000000 ] - [ 0.0000070300000000, 0.0000000000000000, -0.0047845300000000 ] - [ -0.0009074400000000, -0.0012441600000000, 0.0008392000000000 ] - [ 0.0001881000000000, 0.0000000000000000, -0.0004949500000000 ] - [ -0.0004601200000000, 0.0000000000000000, -0.0020936400000000 ] - [ 0.0000096600000000, -0.0001496400000000, -0.0000895500000000 ] - [ -0.0002392300000000, 0.0000000000000000, 0.0001702300000000 ] - [ 0.0066931000000000, 0.0130390300000000, -0.0093603900000000 ] - [ 0.0012595500000000, 0.0000000000000000, -0.0030336000000000 ] - [ 0.0000647700000000, -0.0000342200000000, -0.0002578600000000 ] - [ 0.0000647700000000, 0.0000342200000000, -0.0002578600000000 ] - [ 0.0001910000000000, 0.0000000000000000, -0.0000590100000000 ] - [ 0.0003010500000000, -0.0002036800000000, 0.0002010200000000 ] - [ 0.0066931000000000, -0.0130390300000000, -0.0093603900000000 ] - [ -0.0001317500000000, -0.0000738100000000, 0.0000357400000000 ] - [ -0.0001532300000000, -0.0000101100000000, -0.0000886800000000 ] - [ -0.0001317500000000, 0.0000738100000000, 0.0000357400000000 ] - [ 0.0001834800000000, 0.0000000000000000, 0.0000168500000000 ] - [ -0.0000048900000000, 0.0001172200000000, -0.0000293600000000 ] - [ -0.0002414900000000, 0.0000000000000000, -0.0000252000000000 ] - [ 0.0000709500000000, 0.0000741500000000, -0.0000486000000000 ] - [ -0.0001941900000000, 0.0000000000000000, 0.0001908000000000 ] - [ -0.0001532300000000, 0.0000101100000000, -0.0000886800000000 ] - [ 0.0001252000000000, 0.0000000000000000, -0.0002006700000000 ] - [ -0.0001393400000000, 0.0000000000000000, -0.0001942800000000 ] - [ -0.0000048900000000, -0.0001172200000000, -0.0000293600000000 ] - [ -0.0002751700000000, 0.0000000000000000, 0.0000704800000000 ] - [ 0.0000917400000000, 0.0000133500000000, 0.0000784600000000 ] - [ 0.0000621900000000, 0.0000000000000000, 0.0001872400000000 ] - [ -0.0000380900000000, -0.0001174800000000, 0.0000273000000000 ] - [ -0.0000380900000000, 0.0001174800000000, 0.0000273000000000 ] - [ 0.0001754800000000, 0.0000000000000000, -0.0001757600000000 ] - [ 0.0000709500000000, -0.0000741500000000, -0.0000486000000000 ] - [ 0.0000917400000000, -0.0000133500000000, 0.0000784600000000 ] - [ -0.0010761600000000, 0.0000000000000000, 0.0021029000000000 ] - [ -0.0004351700000000, 0.0000000000000000, 0.0000530300000000 ] - [ 0.0023362600000000, 0.0000000000000000, -0.0039310900000000 ] - [ 0.0578224600000000, 0.0000000000000000, -0.2321002200000000 ] - [ -0.0001226700000000, 0.0000000000000000, 0.0001327000000000 ] - [ -0.0000404900000000, 0.0000000000000000, -0.0001841600000000 ] - [ -0.0001694600000000, 0.0000000000000000, 0.0000373000000000 ] - [ -0.0000117800000000, 0.0000000000000000, -0.0000656300000000 ] - [ -0.0001951100000000, 0.0000000000000000, 0.0006911300000000 ] - [ 0.0000545600000000, 0.0000000000000000, -0.0000307600000000 ] - [ -0.0001622700000000, 0.0000000000000000, 0.0001481100000000 ] - [ 0.0000643100000000, 0.0000000000000000, -0.0001766800000000 ] - [ 0.0006802000000000, 0.0000000000000000, -0.0000410900000000 ] - [ -0.0021330200000000, -0.0017027400000000, 0.0001706200000000 ] - [ 0.0149521200000000, 0.0000000000000000, -0.0182428500000000 ] - [ -0.0008126600000000, 0.0000000000000000, -0.0007996100000000 ] - [ -0.0000234600000000, -0.0002878000000000, -0.0000519700000000 ] - [ -0.0021330200000000, 0.0017027400000000, 0.0001706200000000 ] - [ 0.0000338500000000, 0.0002870800000000, -0.0000227900000000 ] - [ 0.0003981100000000, 0.0000000000000000, 0.0001747500000000 ] - [ -0.0806728400000000, 0.0000000000000000, 0.3406762100000000 ] - [ 0.0029178000000000, -0.0026864600000000, 0.0000642600000000 ] - [ 0.0001641300000000, -0.0007278300000000, 0.0001264100000000 ] - [ -0.0005098400000000, -0.0127411000000000, -0.0298139900000000 ] - [ 0.0029178000000000, 0.0026864600000000, 0.0000642600000000 ] - [ 0.0008514600000000, 0.0000000000000000, 0.0016533100000000 ] - [ 0.0001641300000000, 0.0007278300000000, 0.0001264100000000 ] - [ -0.0010747600000000, 0.0000000000000000, 0.0009674200000000 ] - [ -0.0013704900000000, 0.0000000000000000, -0.0001114300000000 ] - [ -0.0005098400000000, 0.0127411000000000, -0.0298139900000000 ] - [ 0.0001876100000000, 0.0000000000000000, -0.0005164300000000 ] - [ 0.0000418500000000, 0.0000000000000000, -0.0002302900000000 ] - [ -0.0001826200000000, 0.0000000000000000, -0.0001307800000000 ] - [ 0.0003475500000000, -0.0007987300000000, 0.0001621200000000 ] - [ 0.0005635800000000, 0.0000000000000000, -0.0002749400000000 ] - [ -0.0001802600000000, 0.0000000000000000, 0.0003421400000000 ] - [ 0.0000338500000000, -0.0002870800000000, -0.0000227900000000 ] - [ 0.0003475500000000, 0.0007987300000000, 0.0001621200000000 ] - [ -0.0000234600000000, 0.0002878000000000, -0.0000519700000000 ] - [ 0.0003443800000000, 0.0000000000000000, 0.0001660700000000 ] - [ -0.0001579100000000, 0.0000000000000000, 0.0000277500000000 ] - [ 0.0004474000000000, -0.0005098200000000, -0.0000838100000000 ] - [ -0.0003338600000000, -0.0004913200000000, 0.0000986800000000 ] - [ -0.0002432500000000, -0.0007813300000000, -0.0001368700000000 ] - [ 0.0004474000000000, 0.0005098200000000, -0.0000838100000000 ] - [ 0.0002512400000000, 0.0000000000000000, -0.0000175100000000 ] - [ -0.0003338600000000, 0.0004913200000000, 0.0000986800000000 ] - [ -0.0004196700000000, 0.0000000000000000, 0.0002849000000000 ] - [ -0.0002517400000000, 0.0000000000000000, 0.0002268400000000 ] - [ -0.0002432500000000, 0.0007813300000000, -0.0001368700000000 ] - [ 0.0002565400000000, 0.0000000000000000, -0.0003303700000000 ] - [ 0.0003469900000000, 0.0000000000000000, -0.0001805300000000 ]- atom: 62 displacement: [ 0.0099999817982353, 0.0000000000000000, 0.0000190797002540 ] forces: - [ 0.0067439100000000, 0.0014100200000000, 0.0005989000000000 ] - [ -0.0011463700000000, -0.0001085900000000, -0.0003950700000000 ] - [ 0.0136439600000000, -0.0007457800000000, 0.0015204000000000 ] - [ -0.0009749500000000, 0.0002073200000000, -0.0005477600000000 ] - [ -0.0008213200000000, 0.0002945400000000, -0.0002537300000000 ] - [ -0.0004384000000000, -0.0013081200000000, -0.0007388400000000 ] - [ -0.0012075800000000, 0.0001340000000000, -0.0002961700000000 ] - [ 0.0096008900000000, -0.0018811400000000, 0.0007465100000000 ] - [ -0.0013705100000000, 0.0000995600000000, -0.0004303700000000 ] - [ -0.0013054500000000, 0.0000119600000000, -0.0004230300000000 ] - [ -0.0015722100000000, -0.0000323800000000, -0.0001338000000000 ] - [ -0.0008180800000000, -0.0002961000000000, -0.0002553700000000 ] - [ -0.0011899300000000, 0.0000005600000000, 0.0000134400000000 ] - [ 0.0036815400000000, -0.0000466400000000, 0.0000681700000000 ] - [ 0.0030233500000000, -0.0072939600000000, 0.0059824200000000 ] - [ 0.0024429600000000, 0.0018929400000000, -0.0000091600000000 ] - [ 0.0007671700000000, -0.0015411300000000, -0.0039836900000000 ] - [ -0.0013159300000000, -0.0003834400000000, 0.0010995000000000 ] - [ -0.0011954400000000, -0.0001263500000000, -0.0002926500000000 ] - [ 0.0139882500000000, -0.0008107500000000, 0.0034833000000000 ] - [ -0.0013920200000000, -0.0000113000000000, -0.0001822400000000 ] - [ -0.0014571600000000, 0.0000309100000000, -0.0003072800000000 ] - [ -0.0013872500000000, 0.0000096300000000, -0.0001822300000000 ] - [ -0.0009838900000000, 0.0000018300000000, -0.0001755400000000 ] - [ -0.0007658300000000, 0.0001386000000000, -0.0000973200000000 ] - [ -0.0014037600000000, -0.0000020800000000, -0.0002120900000000 ] - [ -0.0011512900000000, 0.0000838600000000, -0.0002900100000000 ] - [ -0.0016227600000000, -0.0000021000000000, -0.0000751100000000 ] - [ -0.0014573700000000, -0.0000344200000000, -0.0002998600000000 ] - [ -0.0012701000000000, -0.0000025100000000, -0.0004134100000000 ] - [ -0.0016334700000000, 0.0000038900000000, -0.0003358300000000 ] - [ -0.0009303300000000, -0.0001643100000000, -0.0002044100000000 ] - [ -0.0021726300000000, -0.0005865800000000, -0.0013699800000000 ] - [ -0.0012119800000000, 0.0000595300000000, -0.0001287100000000 ] - [ -0.0014161000000000, -0.0000008500000000, 0.0000398400000000 ] - [ -0.0008428200000000, 0.0000551500000000, -0.0001984500000000 ] - [ -0.0008458100000000, -0.0000516000000000, -0.0001960300000000 ] - [ -0.0007523700000000, -0.0000022700000000, -0.0003295900000000 ] - [ -0.0011539400000000, -0.0000838000000000, -0.0002824300000000 ] - [ -0.0012317100000000, -0.0000491800000000, -0.0001412000000000 ] - [ 0.1116987200000000, -0.0906771400000000, -0.0170901100000000 ] - [ -0.0026168400000000, -0.0000104800000000, -0.0006499700000000 ] - [ -0.0053196400000000, 0.0002781000000000, 0.0004312100000000 ] - [ -0.0007479700000000, 0.0060546000000000, 0.0041453300000000 ] - [ -0.0027964900000000, -0.0000100600000000, -0.0003218300000000 ] - [ -0.0030726800000000, 0.0000493900000000, -0.0009865900000000 ] - [ -0.0036603600000000, -0.0000073100000000, -0.0005387900000000 ] - [ -0.0035269900000000, 0.0000063600000000, -0.0006455200000000 ] - [ 0.0020886700000000, -0.0008182400000000, 0.0042308300000000 ] - [ -0.0022595600000000, 0.0000010700000000, -0.0004886800000000 ] - [ -0.0024722800000000, 0.0000013700000000, -0.0001482400000000 ] - [ -0.0020845800000000, 0.0005171600000000, -0.0004770800000000 ] - [ 0.0140787400000000, -0.0179315200000000, 0.0035592300000000 ] - [ 0.0027228600000000, -0.0013493600000000, 0.0006082600000000 ] - [ 0.0020122900000000, -0.0008332100000000, -0.0006941200000000 ] - [ -0.0037416100000000, -0.0122899800000000, -0.0128873700000000 ] - [ 0.0004704300000000, 0.0005611000000000, 0.0001020900000000 ] - [ 0.0031242300000000, 0.0014848500000000, 0.0007656200000000 ] - [ 0.0017973800000000, 0.0002932000000000, -0.0004583200000000 ] - [ 0.0021072200000000, -0.0000023200000000, 0.0007431500000000 ] - [ 0.0044148500000000, -0.0060694900000000, -0.0017143100000000 ] - [ -0.1562373000000000, 0.1292503000000000, 0.0185633200000000 ] - [ 0.0016805100000000, -0.0002831400000000, 0.0003308800000000 ] - [ -0.0053386900000000, -0.0025587200000000, -0.0021983900000000 ] - [ -0.0163310800000000, 0.0029255200000000, -0.0012330300000000 ] - [ 0.0019691500000000, 0.0001390900000000, -0.0003218900000000 ] - [ 0.0016608600000000, 0.0002832400000000, 0.0003296200000000 ] - [ 0.0062726300000000, 0.0035121100000000, 0.0012525400000000 ] - [ -0.0087250400000000, 0.0008320500000000, -0.0026533300000000 ] - [ 0.0006766700000000, -0.0019266000000000, 0.0006746400000000 ] - [ 0.0017881700000000, -0.0000010800000000, -0.0001759300000000 ] - [ 0.0025725300000000, 0.0000038400000000, 0.0011024100000000 ] - [ 0.0017113600000000, 0.0000118800000000, 0.0005083700000000 ] - [ 0.0024238300000000, -0.0011181800000000, 0.0006513900000000 ] - [ 0.0033901500000000, -0.0000063300000000, -0.0000656700000000 ] - [ 0.0013488200000000, 0.0000155800000000, 0.0004303900000000 ] - [ 0.0017763200000000, -0.0002953600000000, -0.0004728100000000 ] - [ 0.0024256100000000, 0.0011239200000000, 0.0006560200000000 ] - [ 0.0017093500000000, -0.0001611400000000, -0.0009515900000000 ] - [ 0.0030551900000000, 0.0001439800000000, 0.0008572700000000 ] - [ 0.0016624400000000, -0.0000037000000000, 0.0003163100000000 ] - [ 0.0025145600000000, -0.0006871000000000, 0.0001504500000000 ] - [ 0.0018614200000000, -0.0001795000000000, 0.0003770500000000 ] - [ 0.0018296100000000, -0.0005195300000000, 0.0003212200000000 ] - [ 0.0025175900000000, 0.0006957800000000, 0.0001445400000000 ] - [ 0.0020863100000000, 0.0000066800000000, 0.0002057100000000 ] - [ 0.0018197000000000, 0.0001685500000000, 0.0003781800000000 ] - [ 0.0023193000000000, 0.0000043200000000, 0.0005118800000000 ] - [ 0.0019294700000000, -0.0000149200000000, 0.0014700700000000 ] - [ 0.0018320600000000, 0.0005150100000000, 0.0003249300000000 ] - [ 0.0017960100000000, 0.0000445000000000, -0.0001250700000000 ] - [ 0.0023328800000000, -0.0000380600000000, 0.0007845900000000 ]- atom: 62 displacement: [ -0.0099999817982353, 0.0000000000000000, -0.0000190797002540 ] forces: - [ -0.0069658000000000, -0.0015628100000000, -0.0005023100000000 ] - [ 0.0009205700000000, 0.0000834100000000, 0.0002261600000000 ] - [ -0.0138417100000000, 0.0008860300000000, -0.0014336300000000 ] - [ 0.0013957700000000, -0.0001998700000000, 0.0005902500000000 ] - [ 0.0008528400000000, -0.0000501700000000, 0.0001941900000000 ] - [ 0.0000219100000000, 0.0012998500000000, 0.0006941900000000 ] - [ 0.0014280300000000, 0.0000160100000000, 0.0002159300000000 ] - [ -0.0099539100000000, 0.0019534800000000, -0.0003339900000000 ] - [ 0.0011376800000000, -0.0000811400000000, 0.0002696600000000 ] - [ 0.0016233700000000, -0.0000075200000000, 0.0000342300000000 ] - [ 0.0013714200000000, 0.0000332000000000, -0.0002448500000000 ] - [ 0.0008493700000000, 0.0000508300000000, 0.0001920500000000 ] - [ 0.0007599900000000, 0.0000011500000000, 0.0003312800000000 ] - [ -0.0034183100000000, 0.0000676700000000, 0.0001047300000000 ] - [ -0.0026972800000000, 0.0073327600000000, -0.0056369700000000 ] - [ -0.0025008300000000, -0.0021428600000000, 0.0000753300000000 ] - [ -0.0008400600000000, 0.0017945300000000, 0.0040456900000000 ] - [ 0.0017351300000000, 0.0003830000000000, -0.0014341600000000 ] - [ 0.0014153300000000, -0.0000214700000000, 0.0002112600000000 ] - [ -0.0126984800000000, 0.0006432700000000, -0.0028267100000000 ] - [ 0.0011747000000000, -0.0001415700000000, 0.0002641100000000 ] - [ 0.0012333000000000, -0.0000546700000000, 0.0001406300000000 ] - [ 0.0011763200000000, 0.0001397600000000, 0.0002645500000000 ] - [ 0.0014034400000000, 0.0000005700000000, 0.0002135200000000 ] - [ 0.0007946000000000, 0.0001097700000000, 0.0000354400000000 ] - [ 0.0009825600000000, -0.0000015600000000, 0.0001737900000000 ] - [ 0.0013574400000000, 0.0000683100000000, 0.0002054100000000 ] - [ 0.0013013500000000, -0.0000036200000000, 0.0004635600000000 ] - [ 0.0012260600000000, 0.0000519800000000, 0.0001425800000000 ] - [ 0.0015888600000000, 0.0000089100000000, 0.0000234400000000 ] - [ 0.0014322900000000, -0.0000040200000000, -0.0000446800000000 ] - [ 0.0009624700000000, -0.0000834900000000, 0.0001448200000000 ] - [ 0.0017537700000000, 0.0005963200000000, 0.0017097700000000 ] - [ 0.0014451600000000, -0.0000332000000000, 0.0002990800000000 ] - [ 0.0016159500000000, -0.0000000200000000, 0.0003394500000000 ] - [ 0.0008134900000000, -0.0002992600000000, 0.0002575800000000 ] - [ 0.0008109800000000, 0.0002980800000000, 0.0002579800000000 ] - [ 0.0011744800000000, -0.0000025000000000, 0.0000043000000000 ] - [ 0.0013637000000000, -0.0000654800000000, 0.0001990000000000 ] - [ 0.0014440100000000, 0.0000368600000000, 0.0002941300000000 ] - [ -0.1134147600000000, 0.0948357800000000, 0.0182010000000000 ] - [ 0.0027295100000000, 0.0000193900000000, 0.0003535100000000 ] - [ 0.0051534700000000, -0.0002825400000000, -0.0003248200000000 ] - [ 0.0009223000000000, -0.0060389700000000, -0.0042289100000000 ] - [ 0.0026767400000000, 0.0000000800000000, 0.0006137100000000 ] - [ 0.0031854400000000, -0.0000487000000000, 0.0006921400000000 ] - [ 0.0035030700000000, 0.0000039000000000, 0.0006352800000000 ] - [ 0.0036784400000000, 0.0000000300000000, 0.0005461500000000 ] - [ -0.0023623800000000, 0.0008138600000000, -0.0039551700000000 ] - [ 0.0024717200000000, 0.0000009100000000, 0.0001750000000000 ] - [ 0.0022546200000000, -0.0000048800000000, 0.0004606100000000 ] - [ 0.0022989500000000, -0.0005241100000000, 0.0001655600000000 ] - [ -0.0148187800000000, 0.0182566600000000, -0.0039488600000000 ] - [ -0.0021186100000000, -0.0002601400000000, -0.0002927900000000 ] - [ -0.0009857100000000, 0.0008253300000000, 0.0001212000000000 ] - [ 0.0034099500000000, 0.0123846800000000, 0.0136674000000000 ] - [ -0.0004546800000000, -0.0011337800000000, -0.0001054200000000 ] - [ -0.0025134300000000, 0.0001328200000000, -0.0004413500000000 ] - [ -0.0017815700000000, 0.0002754800000000, 0.0004680800000000 ] - [ -0.0016527100000000, -0.0000048400000000, -0.0004842600000000 ] - [ -0.0047996300000000, 0.0060232800000000, 0.0017880200000000 ] - [ 0.1575652700000000, -0.1346486600000000, -0.0200456500000000 ] - [ -0.0024736200000000, -0.0007255300000000, -0.0001558400000000 ] - [ 0.0047118000000000, 0.0009385400000000, 0.0018618900000000 ] - [ 0.0171598500000000, -0.0020802700000000, 0.0010494800000000 ] - [ -0.0015527100000000, -0.0001320700000000, 0.0002354600000000 ] - [ -0.0024445200000000, 0.0007159500000000, -0.0001565800000000 ] - [ -0.0072474100000000, -0.0034750100000000, -0.0006613000000000 ] - [ 0.0081766900000000, -0.0008122700000000, 0.0030633100000000 ] - [ -0.0012832500000000, 0.0035325600000000, -0.0010197300000000 ] - [ -0.0013656500000000, -0.0000110100000000, -0.0004814500000000 ] - [ -0.0019666500000000, 0.0000094300000000, -0.0014770300000000 ] - [ -0.0021589200000000, 0.0000051700000000, -0.0007607600000000 ] - [ -0.0018214600000000, -0.0004909600000000, -0.0003339800000000 ] - [ -0.0023514700000000, -0.0000016600000000, -0.0005065600000000 ] - [ -0.0017615900000000, 0.0000072800000000, 0.0002253200000000 ] - [ -0.0017921000000000, -0.0002767600000000, 0.0004602200000000 ] - [ -0.0018276200000000, 0.0004888300000000, -0.0003342000000000 ] - [ -0.0017155700000000, 0.0007298400000000, 0.0009487700000000 ] - [ -0.0026049300000000, -0.0001418900000000, -0.0005951100000000 ] - [ -0.0020733100000000, -0.0000021800000000, -0.0002356300000000 ] - [ -0.0017236200000000, -0.0003120400000000, -0.0003203800000000 ] - [ -0.0026564600000000, -0.0008266100000000, -0.0002042100000000 ] - [ -0.0024275900000000, -0.0010948300000000, -0.0006443800000000 ] - [ -0.0017229700000000, 0.0003142100000000, -0.0003214500000000 ] - [ -0.0016712300000000, 0.0000004900000000, -0.0002843300000000 ] - [ -0.0026032000000000, 0.0008356800000000, -0.0002036500000000 ] - [ -0.0033487900000000, 0.0000015600000000, 0.0000598500000000 ] - [ -0.0025257000000000, -0.0000096700000000, -0.0010944500000000 ] - [ -0.0024267100000000, 0.0010937100000000, -0.0006424500000000 ] - [ -0.0013747900000000, -0.0000379100000000, -0.0005338000000000 ] - [ -0.0017236600000000, 0.0000313500000000, -0.0011582600000000 ]- atom: 62 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011038100000000, -0.0047849900000000, -0.0013733400000000 ] - [ -0.0000538900000000, -0.0001991300000000, -0.0001289400000000 ] - [ -0.0017315400000000, 0.0080733700000000, -0.0004098500000000 ] - [ 0.0007923900000000, -0.0001004800000000, 0.0004115200000000 ] - [ 0.0000937700000000, 0.0000960500000000, -0.0000172500000000 ] - [ -0.0006098300000000, 0.0007025800000000, -0.0004085200000000 ] - [ 0.0002115900000000, 0.0000724100000000, -0.0000351900000000 ] - [ -0.0034939100000000, 0.0185295500000000, 0.0108527100000000 ] - [ 0.0001105700000000, 0.0001898500000000, -0.0000748600000000 ] - [ 0.0002717300000000, 0.0000015800000000, -0.0001709400000000 ] - [ 0.0002442300000000, 0.0000078400000000, -0.0001002100000000 ] - [ 0.0000956700000000, -0.0000941000000000, -0.0000124200000000 ] - [ -0.0001264700000000, -0.0000000800000000, 0.0001867100000000 ] - [ -0.0029912800000000, -0.0028335000000000, -0.0007128000000000 ] - [ -0.0058889600000000, 0.0022555500000000, 0.0030994600000000 ] - [ 0.0013737000000000, -0.0036750300000000, 0.0013159000000000 ] - [ -0.0010025200000000, 0.0055615800000000, -0.0011451100000000 ] - [ 0.0023652200000000, 0.0000242600000000, -0.0009582200000000 ] - [ 0.0002135500000000, -0.0000706800000000, -0.0000309900000000 ] - [ -0.0000298300000000, 0.0067487400000000, -0.0002671500000000 ] - [ 0.0000193900000000, -0.0000781000000000, 0.0000645600000000 ] - [ -0.0000258900000000, -0.0000261900000000, -0.0000787900000000 ] - [ 0.0000205700000000, 0.0000752600000000, 0.0000669900000000 ] - [ 0.0003206500000000, 0.0000008500000000, 0.0000418800000000 ] - [ 0.0001952300000000, 0.0002809200000000, -0.0000823300000000 ] - [ -0.0000978200000000, -0.0000030100000000, -0.0000057600000000 ] - [ 0.0001797400000000, 0.0001373900000000, -0.0000087100000000 ] - [ -0.0000246600000000, -0.0000030700000000, 0.0002153300000000 ] - [ -0.0000014800000000, 0.0000158000000000, -0.0000604300000000 ] - [ 0.0002351700000000, 0.0000009900000000, -0.0002208000000000 ] - [ 0.0000563800000000, 0.0000008600000000, -0.0001760000000000 ] - [ 0.0001164800000000, -0.0002890900000000, -0.0001762100000000 ] - [ 0.0014018000000000, -0.0000155700000000, 0.0016542500000000 ] - [ 0.0002703200000000, 0.0000155100000000, 0.0001213100000000 ] - [ 0.0002409100000000, -0.0000005500000000, 0.0002029300000000 ] - [ 0.0000687300000000, -0.0001398400000000, 0.0000617700000000 ] - [ 0.0000515100000000, 0.0001220800000000, 0.0000531500000000 ] - [ 0.0003039000000000, -0.0000026400000000, -0.0001500600000000 ] - [ 0.0001762100000000, -0.0001359600000000, -0.0000044600000000 ] - [ 0.0002468700000000, -0.0000063300000000, 0.0001053300000000 ] - [ -0.0969690800000000, 0.1717261900000000, 0.0283283300000000 ] - [ 0.0003434400000000, 0.0000063200000000, -0.0001134200000000 ] - [ -0.0013156300000000, 0.0000842400000000, 0.0004791100000000 ] - [ 0.0014447200000000, -0.0038456700000000, -0.0033460600000000 ] - [ 0.0001826900000000, -0.0000081300000000, 0.0001878600000000 ] - [ 0.0008695300000000, 0.0000045600000000, 0.0003744100000000 ] - [ 0.0002390500000000, -0.0000038800000000, 0.0000949200000000 ] - [ 0.0004086700000000, 0.0000055100000000, 0.0000002700000000 ] - [ -0.0038786500000000, -0.0017608500000000, 0.0003897900000000 ] - [ 0.0003280800000000, 0.0000014600000000, -0.0001371300000000 ] - [ 0.0001064500000000, -0.0000019300000000, 0.0001913200000000 ] - [ 0.0004835600000000, 0.0002939000000000, -0.0004422500000000 ] - [ -0.0135078300000000, 0.0024322500000000, -0.0025033300000000 ] - [ 0.0003989800000000, -0.0013113300000000, 0.0001601900000000 ] - [ -0.0001819100000000, 0.0005108300000000, 0.0003299500000000 ] - [ -0.0102148900000000, 0.0032817000000000, 0.0101423300000000 ] - [ -0.0007738200000000, -0.0023346700000000, -0.0003610500000000 ] - [ 0.0003815200000000, 0.0013428100000000, 0.0000971200000000 ] - [ -0.0001450300000000, 0.0002931100000000, 0.0000579500000000 ] - [ 0.0000309500000000, -0.0000089700000000, 0.0000705600000000 ] - [ -0.0057821300000000, 0.0041090300000000, 0.0012967400000000 ] - [ 0.1358055400000000, -0.2593882100000000, -0.0499192900000000 ] - [ -0.0006193000000000, -0.0004961700000000, 0.0000637500000000 ] - [ 0.0018691300000000, 0.0023223700000000, 0.0009921000000000 ] - [ -0.0021432700000000, 0.0456358000000000, 0.0020231800000000 ] - [ 0.0003449900000000, -0.0001161100000000, -0.0002560000000000 ] - [ -0.0006021000000000, 0.0004908400000000, 0.0000588400000000 ] - [ 0.0031748400000000, -0.0006385500000000, 0.0007243400000000 ] - [ 0.0042664200000000, 0.0054515500000000, 0.0040317100000000 ] - [ -0.0026103500000000, -0.0014519400000000, -0.0015641500000000 ] - [ 0.0000776300000000, -0.0000069400000000, -0.0003243000000000 ] - [ 0.0001019700000000, 0.0000116000000000, -0.0003040100000000 ] - [ -0.0003798600000000, 0.0000209300000000, -0.0001858100000000 ] - [ 0.0001237600000000, -0.0007685400000000, 0.0001129000000000 ] - [ 0.0002676800000000, -0.0000086100000000, -0.0003129200000000 ] - [ -0.0003502100000000, 0.0000246400000000, 0.0003148000000000 ] - [ -0.0001801900000000, -0.0002975200000000, 0.0000341400000000 ] - [ 0.0001201600000000, 0.0007725700000000, 0.0001190800000000 ] - [ 0.0003778900000000, 0.0032051400000000, -0.0018343300000000 ] - [ -0.0012126400000000, -0.0000145100000000, -0.0001567400000000 ] - [ -0.0003815600000000, -0.0000074800000000, 0.0000318100000000 ] - [ 0.0001966800000000, -0.0004765200000000, -0.0001063600000000 ] - [ -0.0007196000000000, -0.0007111600000000, -0.0000039800000000 ] - [ -0.0005032700000000, -0.0008417700000000, -0.0002149200000000 ] - [ 0.0001998400000000, 0.0004863700000000, -0.0001107400000000 ] - [ 0.0000377900000000, 0.0000084700000000, -0.0000670500000000 ] - [ -0.0007183100000000, 0.0006982700000000, 0.0000076400000000 ] - [ -0.0007899000000000, 0.0000073400000000, 0.0002716500000000 ] - [ -0.0005046900000000, -0.0000307700000000, 0.0000723400000000 ] - [ -0.0004979100000000, 0.0008352700000000, -0.0002057400000000 ] - [ 0.0000165300000000, 0.0000458300000000, -0.0004376900000000 ] - [ 0.0002892800000000, -0.0000333300000000, 0.0002036700000000 ]- atom: 62 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009016000000000, 0.0046782700000000, 0.0014293900000000 ] - [ -0.0002154200000000, 0.0001658700000000, -0.0000574900000000 ] - [ 0.0015195500000000, -0.0079873800000000, 0.0005124600000000 ] - [ -0.0003783700000000, 0.0001050700000000, -0.0003662600000000 ] - [ -0.0000565500000000, 0.0001370500000000, -0.0000535000000000 ] - [ 0.0001991700000000, -0.0006933000000000, 0.0003674300000000 ] - [ -0.0000215300000000, 0.0000757900000000, -0.0000588600000000 ] - [ 0.0033956500000000, -0.0200261200000000, -0.0112865000000000 ] - [ -0.0003478100000000, -0.0001708300000000, -0.0000867000000000 ] - [ 0.0000457800000000, 0.0000046500000000, -0.0002114400000000 ] - [ -0.0004494000000000, -0.0000068300000000, -0.0002788600000000 ] - [ -0.0000579000000000, -0.0001362900000000, -0.0000542500000000 ] - [ -0.0003041600000000, 0.0000011500000000, 0.0001666000000000 ] - [ 0.0031993800000000, 0.0028868000000000, 0.0008800700000000 ] - [ 0.0061393400000000, -0.0021563600000000, -0.0027578600000000 ] - [ -0.0013961700000000, 0.0034605900000000, -0.0012409800000000 ] - [ 0.0009364000000000, -0.0053418300000000, 0.0011778100000000 ] - [ -0.0019528600000000, -0.0000276500000000, 0.0006383300000000 ] - [ -0.0000257400000000, -0.0000733700000000, -0.0000604700000000 ] - [ 0.0002391500000000, -0.0067914000000000, 0.0003971900000000 ] - [ -0.0002004200000000, -0.0000674200000000, 0.0000262700000000 ] - [ -0.0002392000000000, -0.0000081700000000, -0.0001068800000000 ] - [ -0.0001990700000000, 0.0000670800000000, 0.0000282000000000 ] - [ 0.0000983200000000, 0.0000023400000000, 0.0000039400000000 ] - [ -0.0001654600000000, -0.0000388700000000, 0.0000226500000000 ] - [ -0.0003153500000000, -0.0000022300000000, -0.0000394700000000 ] - [ 0.0000113300000000, 0.0000087800000000, -0.0000847000000000 ] - [ -0.0002835700000000, -0.0000007900000000, 0.0001689400000000 ] - [ -0.0002353900000000, 0.0000051400000000, -0.0000999200000000 ] - [ 0.0000850000000000, 0.0000051400000000, -0.0001613300000000 ] - [ -0.0002588800000000, -0.0000002800000000, -0.0002020600000000 ] - [ -0.0000854900000000, 0.0000498600000000, 0.0001158300000000 ] - [ -0.0018332400000000, 0.0000179100000000, -0.0013348900000000 ] - [ -0.0000044900000000, 0.0000170900000000, 0.0000649000000000 ] - [ -0.0000320800000000, -0.0000010400000000, 0.0001756300000000 ] - [ -0.0000874300000000, -0.0001063100000000, 0.0000128700000000 ] - [ -0.0000948900000000, 0.0001071600000000, 0.0000089600000000 ] - [ 0.0001258300000000, -0.0000011700000000, -0.0001810800000000 ] - [ 0.0000120100000000, -0.0000057000000000, -0.0000862800000000 ] - [ -0.0000068400000000, -0.0000111800000000, 0.0000586800000000 ] - [ 0.0900611700000000, -0.1639082700000000, -0.0261353400000000 ] - [ -0.0002062600000000, 0.0000017900000000, -0.0001800100000000 ] - [ 0.0011834900000000, -0.0000926400000000, -0.0003780000000000 ] - [ -0.0013000900000000, 0.0037987700000000, 0.0032703800000000 ] - [ -0.0003112100000000, -0.0000096500000000, 0.0001050900000000 ] - [ -0.0007403200000000, -0.0000029400000000, -0.0006721600000000 ] - [ -0.0003844800000000, -0.0000010300000000, 0.0000076100000000 ] - [ -0.0002509600000000, 0.0000073400000000, -0.0001032200000000 ] - [ 0.0037090900000000, 0.0017573000000000, -0.0001025300000000 ] - [ -0.0001080000000000, 0.0000017600000000, -0.0001832500000000 ] - [ -0.0003167400000000, 0.0000024600000000, 0.0001296100000000 ] - [ -0.0002601000000000, -0.0002938400000000, 0.0001262400000000 ] - [ 0.0130555100000000, -0.0025273900000000, 0.0022580600000000 ] - [ 0.0002069000000000, -0.0003025000000000, 0.0001618400000000 ] - [ 0.0012418300000000, -0.0005136000000000, -0.0009135600000000 ] - [ 0.0097670000000000, -0.0034043200000000, -0.0094659500000000 ] - [ 0.0007802500000000, 0.0017667900000000, 0.0003755700000000 ] - [ 0.0002192400000000, 0.0002784700000000, 0.0002346000000000 ] - [ 0.0001691600000000, 0.0002878700000000, -0.0000349200000000 ] - [ 0.0003893700000000, -0.0000036000000000, 0.0001771000000000 ] - [ 0.0054377200000000, -0.0041078500000000, -0.0012113600000000 ] - [ -0.1283460200000000, 0.2514316300000000, 0.0487084100000000 ] - [ -0.0001785300000000, -0.0005114500000000, 0.0001117800000000 ] - [ -0.0024538400000000, -0.0039535000000000, -0.0013147000000000 ] - [ 0.0028752300000000, -0.0439454000000000, -0.0021624400000000 ] - [ 0.0000738200000000, 0.0001276600000000, 0.0001544700000000 ] - [ -0.0001810000000000, 0.0005085000000000, 0.0001094700000000 ] - [ -0.0042566100000000, 0.0006277700000000, -0.0001491600000000 ] - [ -0.0048941600000000, -0.0054194500000000, -0.0036501500000000 ] - [ 0.0019706500000000, 0.0031363600000000, 0.0012175100000000 ] - [ 0.0003388900000000, -0.0000037400000000, -0.0003188900000000 ] - [ 0.0004996500000000, 0.0000075600000000, -0.0000711800000000 ] - [ -0.0000394100000000, 0.0000126900000000, -0.0000648200000000 ] - [ 0.0004828300000000, -0.0008502000000000, 0.0002084300000000 ] - [ 0.0007895800000000, -0.0000028300000000, -0.0002663800000000 ] - [ -0.0000655500000000, 0.0000164700000000, 0.0003282900000000 ] - [ 0.0001501500000000, -0.0002895600000000, -0.0000485200000000 ] - [ 0.0004787300000000, 0.0008526500000000, 0.0002104400000000 ] - [ -0.0003858200000000, -0.0026377000000000, 0.0018432100000000 ] - [ 0.0016426400000000, 0.0000196300000000, 0.0004178800000000 ] - [ -0.0000421400000000, -0.0000023500000000, 0.0000722000000000 ] - [ 0.0005829100000000, -0.0005139300000000, -0.0000631400000000 ] - [ -0.0000778200000000, -0.0002919100000000, 0.0001776900000000 ] - [ -0.0001103300000000, -0.0007848800000000, -0.0001203700000000 ] - [ 0.0005854100000000, 0.0005237900000000, -0.0000674500000000 ] - [ 0.0003839100000000, 0.0000032600000000, -0.0000317300000000 ] - [ -0.0000640200000000, 0.0003036800000000, 0.0001664700000000 ] - [ -0.0002711100000000, 0.0000033900000000, 0.0003057200000000 ] - [ -0.0001003200000000, -0.0000143400000000, 0.0003001600000000 ] - [ -0.0001071000000000, 0.0007813800000000, -0.0001162300000000 ] - [ 0.0004020500000000, -0.0000357600000000, -0.0002125600000000 ] - [ 0.0003139700000000, 0.0000243800000000, -0.0005865500000000 ]- atom: 62 displacement: [ -0.0016676867133328, 0.0000000000000000, 0.0098599604982055 ] forces: - [ -0.0014016500000000, -0.0011980400000000, -0.0003227200000000 ] - [ -0.0001085600000000, -0.0000087300000000, -0.0000607100000000 ] - [ -0.0009729000000000, 0.0024714200000000, -0.0013449800000000 ] - [ 0.0002965000000000, 0.0000413100000000, 0.0001798200000000 ] - [ 0.0000669800000000, 0.0001086500000000, -0.0000240100000000 ] - [ -0.0006842900000000, -0.0001400500000000, -0.0003387100000000 ] - [ 0.0001736500000000, 0.0000706100000000, -0.0000268200000000 ] - [ -0.0019979800000000, 0.0091438200000000, 0.0080631100000000 ] - [ -0.0000997800000000, 0.0000003900000000, -0.0000416900000000 ] - [ 0.0002263000000000, -0.0000011200000000, -0.0001886900000000 ] - [ -0.0000048300000000, 0.0000136400000000, -0.0002286700000000 ] - [ 0.0000648000000000, -0.0001082500000000, -0.0000222800000000 ] - [ -0.0001601600000000, -0.0000009500000000, 0.0001901800000000 ] - [ -0.0003403000000000, -0.0002624700000000, 0.0006589100000000 ] - [ 0.0043399600000000, 0.0044092200000000, -0.0010111400000000 ] - [ 0.0008671700000000, -0.0011669600000000, -0.0017251400000000 ] - [ -0.0045519600000000, 0.0014681700000000, -0.0067790500000000 ] - [ 0.0009478200000000, -0.0000089900000000, 0.0009802300000000 ] - [ 0.0001651000000000, -0.0000705500000000, -0.0000287700000000 ] - [ -0.0000067600000000, -0.0001206800000000, 0.0065820600000000 ] - [ -0.0000051200000000, -0.0000761200000000, 0.0000617300000000 ] - [ -0.0000673900000000, -0.0000214800000000, -0.0000878200000000 ] - [ -0.0000035300000000, 0.0000740900000000, 0.0000640700000000 ] - [ 0.0002762600000000, 0.0000018400000000, 0.0000336400000000 ] - [ 0.0000369900000000, 0.0000732400000000, 0.0000261900000000 ] - [ -0.0001403400000000, -0.0000032800000000, -0.0000129900000000 ] - [ 0.0001741800000000, 0.0000599000000000, -0.0000383900000000 ] - [ -0.0000655800000000, -0.0000008100000000, 0.0002063900000000 ] - [ -0.0000526100000000, 0.0000132500000000, -0.0000742700000000 ] - [ 0.0002515900000000, 0.0000032200000000, -0.0001622600000000 ] - [ -0.0000222700000000, -0.0000003900000000, -0.0001778000000000 ] - [ 0.0001012900000000, -0.0000514800000000, 0.0000824000000000 ] - [ -0.0001244000000000, 0.0000950500000000, -0.0004764900000000 ] - [ 0.0002244800000000, 0.0000178400000000, 0.0001132600000000 ] - [ 0.0001925600000000, -0.0000019500000000, 0.0001969000000000 ] - [ 0.0000381400000000, -0.0001362500000000, 0.0000498800000000 ] - [ 0.0000214100000000, 0.0001247600000000, 0.0000444200000000 ] - [ 0.0002707900000000, -0.0000022000000000, -0.0001641500000000 ] - [ 0.0001727200000000, -0.0000581200000000, -0.0000415700000000 ] - [ 0.0001983200000000, -0.0000067500000000, 0.0000961500000000 ] - [ -0.0341011400000000, 0.0390980800000000, 0.0447802700000000 ] - [ 0.0002136900000000, 0.0000113700000000, -0.0001112300000000 ] - [ 0.0003860700000000, -0.0001104600000000, -0.0002588300000000 ] - [ 0.0004010800000000, 0.0004061100000000, -0.0013538600000000 ] - [ 0.0000851200000000, -0.0000129800000000, 0.0001713200000000 ] - [ 0.0001063400000000, -0.0000036600000000, -0.0002799200000000 ] - [ 0.0001327600000000, -0.0000040600000000, 0.0000905700000000 ] - [ 0.0002781000000000, 0.0000079600000000, -0.0000193400000000 ] - [ 0.0009899200000000, 0.0009074100000000, 0.0007538900000000 ] - [ 0.0002388500000000, -0.0000001400000000, -0.0001421000000000 ] - [ 0.0000317600000000, 0.0000047300000000, 0.0001797900000000 ] - [ 0.0003243300000000, -0.0002069600000000, -0.0005245000000000 ] - [ 0.0078460000000000, -0.0046910100000000, -0.0037847400000000 ] - [ 0.0001222400000000, -0.0007766300000000, 0.0001546200000000 ] - [ 0.0006801600000000, -0.0000842100000000, -0.0003008300000000 ] - [ -0.0177455200000000, 0.0190242500000000, 0.0209576200000000 ] - [ -0.0002218900000000, -0.0006940200000000, 0.0001132800000000 ] - [ 0.0000338400000000, 0.0007871700000000, 0.0001358500000000 ] - [ -0.0000907600000000, 0.0002933200000000, 0.0000363300000000 ] - [ 0.0000989900000000, -0.0000081500000000, 0.0000852300000000 ] - [ -0.0020349000000000, 0.0006953900000000, 0.0000172700000000 ] - [ 0.0457760700000000, -0.0709015600000000, -0.0753699900000000 ] - [ -0.0005028000000000, -0.0005165300000000, 0.0000742300000000 ] - [ 0.0002627800000000, -0.0007914400000000, 0.0006657000000000 ] - [ 0.0020904100000000, -0.0020554700000000, -0.0084858000000000 ] - [ 0.0002393200000000, 0.0000470400000000, 0.0000049300000000 ] - [ -0.0004884500000000, 0.0005063800000000, 0.0000715800000000 ] - [ -0.0011114000000000, -0.0001546000000000, -0.0008510200000000 ] - [ 0.0000808500000000, 0.0038058700000000, 0.0096006300000000 ] - [ 0.0002939100000000, 0.0001840900000000, 0.0097733200000000 ] - [ 0.0001168100000000, -0.0000094300000000, -0.0003331600000000 ] - [ 0.0001693700000000, 0.0000119600000000, -0.0002590700000000 ] - [ -0.0003099600000000, 0.0000170800000000, -0.0001539200000000 ] - [ 0.0001805600000000, -0.0007989500000000, 0.0001349900000000 ] - [ 0.0003779200000000, -0.0000053200000000, -0.0003032000000000 ] - [ -0.0002936400000000, 0.0000202000000000, 0.0003092000000000 ] - [ -0.0001167000000000, -0.0002965500000000, 0.0000173600000000 ] - [ 0.0001772300000000, 0.0008020600000000, 0.0001388700000000 ] - [ -0.0011035900000000, 0.0007220500000000, 0.0004095800000000 ] - [ 0.0004798000000000, 0.0000260600000000, 0.0001496700000000 ] - [ -0.0003184100000000, -0.0000048200000000, 0.0000415000000000 ] - [ 0.0002667700000000, -0.0004824200000000, -0.0000975400000000 ] - [ -0.0004867500000000, -0.0004663100000000, 0.0001021300000000 ] - [ -0.0004274600000000, -0.0008334700000000, -0.0001951300000000 ] - [ 0.0002708800000000, 0.0004932800000000, -0.0001030600000000 ] - [ 0.0001094500000000, 0.0000042100000000, -0.0000735200000000 ] - [ -0.0004683100000000, 0.0004740700000000, 0.0000935300000000 ] - [ -0.0006976900000000, 0.0000040600000000, 0.0002762200000000 ] - [ -0.0004286400000000, -0.0000215200000000, 0.0001109100000000 ] - [ -0.0004234800000000, 0.0008276400000000, -0.0001897200000000 ] - [ 0.0001030100000000, -0.0000167200000000, -0.0002942800000000 ] - [ 0.0001105300000000, 0.0000207100000000, -0.0002158300000000 ]- atom: 62 displacement: [ 0.0016676867133328, 0.0000000000000000, -0.0098599604982055 ] forces: - [ 0.0012079300000000, 0.0010463500000000, 0.0004349300000000 ] - [ -0.0002085400000000, -0.0000341200000000, -0.0001467200000000 ] - [ 0.0006337100000000, -0.0024318900000000, 0.0024167000000000 ] - [ 0.0001110700000000, -0.0000313100000000, -0.0001179100000000 ] - [ -0.0000304800000000, 0.0001302700000000, -0.0000430600000000 ] - [ 0.0002591400000000, 0.0001301500000000, 0.0002970400000000 ] - [ 0.0000135600000000, 0.0000776200000000, -0.0000666900000000 ] - [ 0.0017197900000000, -0.0094543300000000, -0.0077238900000000 ] - [ -0.0001762500000000, 0.0000256700000000, -0.0001353700000000 ] - [ 0.0000774900000000, 0.0000041200000000, -0.0001964900000000 ] - [ -0.0002080100000000, -0.0000110100000000, -0.0001512600000000 ] - [ -0.0000321000000000, -0.0001285700000000, -0.0000411600000000 ] - [ -0.0002647700000000, 0.0000006600000000, 0.0001559600000000 ] - [ 0.0006183600000000, 0.0002948900000000, -0.0004637400000000 ] - [ -0.0040734500000000, -0.0043855300000000, 0.0012962900000000 ] - [ -0.0008797100000000, 0.0009267900000000, 0.0017652400000000 ] - [ 0.0045837200000000, -0.0012247300000000, 0.0068163500000000 ] - [ -0.0005249400000000, 0.0000026400000000, -0.0012893000000000 ] - [ 0.0000165900000000, -0.0000744700000000, -0.0000637100000000 ] - [ 0.0002771500000000, 0.0000896100000000, -0.0064362100000000 ] - [ -0.0001577400000000, -0.0000699100000000, 0.0000340300000000 ] - [ -0.0002253500000000, -0.0000178900000000, -0.0001100800000000 ] - [ -0.0001562300000000, 0.0000692200000000, 0.0000363000000000 ] - [ 0.0001396400000000, 0.0000020500000000, 0.0000113200000000 ] - [ -0.0000092800000000, 0.0001664800000000, -0.0000872100000000 ] - [ -0.0002759900000000, -0.0000028700000000, -0.0000332300000000 ] - [ 0.0000018600000000, 0.0000876600000000, -0.0000577000000000 ] - [ -0.0002343100000000, -0.0000006700000000, 0.0001795600000000 ] - [ -0.0002049800000000, 0.0000101600000000, -0.0000937800000000 ] - [ 0.0000561500000000, 0.0000019200000000, -0.0002220400000000 ] - [ -0.0001887700000000, 0.0000016500000000, -0.0002003000000000 ] - [ -0.0000734700000000, -0.0001881500000000, -0.0001440100000000 ] - [ -0.0003041600000000, -0.0000949400000000, 0.0007877500000000 ] - [ 0.0000743100000000, 0.0000227300000000, 0.0000894300000000 ] - [ 0.0000179200000000, -0.0000014600000000, 0.0001814400000000 ] - [ -0.0000633900000000, -0.0001129300000000, 0.0000208000000000 ] - [ -0.0000686000000000, 0.0001053600000000, 0.0000172000000000 ] - [ 0.0001567600000000, -0.0000021500000000, -0.0001739500000000 ] - [ -0.0000008200000000, -0.0000847200000000, -0.0000523600000000 ] - [ 0.0000501700000000, -0.0000131400000000, 0.0000731500000000 ] - [ 0.0340377600000000, -0.0390817900000000, -0.0450383100000000 ] - [ -0.0000872000000000, 0.0000020900000000, -0.0001832200000000 ] - [ -0.0005286900000000, 0.0000959000000000, 0.0003575500000000 ] - [ -0.0002595500000000, -0.0003567100000000, 0.0012171700000000 ] - [ -0.0002180500000000, -0.0000097300000000, 0.0001207600000000 ] - [ 0.0000145900000000, 0.0000068000000000, -0.0000203000000000 ] - [ -0.0002895100000000, -0.0000032600000000, 0.0000120300000000 ] - [ -0.0001290900000000, 0.0000064700000000, -0.0000857500000000 ] - [ -0.0011896500000000, -0.0009044500000000, -0.0003831400000000 ] - [ -0.0000325800000000, 0.0000015200000000, -0.0001803100000000 ] - [ -0.0002404200000000, 0.0000012100000000, 0.0001404800000000 ] - [ -0.0001039400000000, 0.0002086400000000, 0.0001980900000000 ] - [ -0.0082051400000000, 0.0046220700000000, 0.0035710500000000 ] - [ 0.0004847900000000, -0.0008338700000000, 0.0001650200000000 ] - [ 0.0003897400000000, 0.0000663300000000, -0.0002660300000000 ] - [ 0.0170441400000000, -0.0187187900000000, -0.0201466600000000 ] - [ 0.0002191300000000, 0.0001093400000000, -0.0001176000000000 ] - [ 0.0005736300000000, 0.0008328700000000, 0.0001940800000000 ] - [ 0.0001115600000000, 0.0002806400000000, -0.0000191600000000 ] - [ 0.0003308400000000, -0.0000040500000000, 0.0001659300000000 ] - [ 0.0016009700000000, -0.0007078100000000, 0.0001059000000000 ] - [ -0.0449057500000000, 0.0703074600000000, 0.0747355000000000 ] - [ -0.0002908300000000, -0.0004933900000000, 0.0001006100000000 ] - [ -0.0008684100000000, -0.0008387400000000, -0.0009957500000000 ] - [ -0.0012709400000000, 0.0029091500000000, 0.0083048300000000 ] - [ 0.0001866000000000, -0.0000357900000000, -0.0001023400000000 ] - [ -0.0002884500000000, 0.0004900200000000, 0.0000987900000000 ] - [ 0.0000295900000000, 0.0001573200000000, 0.0014297800000000 ] - [ -0.0007534500000000, -0.0038987700000000, -0.0092779500000000 ] - [ -0.0007923600000000, 0.0013952800000000, -0.0100833100000000 ] - [ 0.0003013800000000, -0.0000041400000000, -0.0003083700000000 ] - [ 0.0004387500000000, 0.0000059900000000, -0.0001120300000000 ] - [ -0.0001101800000000, 0.0000115600000000, -0.0000913000000000 ] - [ 0.0004291300000000, -0.0008182600000000, 0.0001876300000000 ] - [ 0.0006843100000000, -0.0000028000000000, -0.0002731600000000 ] - [ -0.0001153300000000, 0.0000148100000000, 0.0003296300000000 ] - [ 0.0000939100000000, -0.0002826700000000, -0.0000313000000000 ] - [ 0.0004285400000000, 0.0008210100000000, 0.0001889500000000 ] - [ 0.0010970600000000, -0.0001398100000000, -0.0004129600000000 ] - [ -0.0000378900000000, -0.0000214400000000, 0.0001090900000000 ] - [ -0.0001014400000000, -0.0000029700000000, 0.0000591900000000 ] - [ 0.0005162300000000, -0.0005091200000000, -0.0000697200000000 ] - [ -0.0003065200000000, -0.0005390200000000, 0.0000702100000000 ] - [ -0.0001802300000000, -0.0007891200000000, -0.0001333600000000 ] - [ 0.0005203400000000, 0.0005182000000000, -0.0000729000000000 ] - [ 0.0003168400000000, 0.0000028600000000, -0.0000239900000000 ] - [ -0.0003091700000000, 0.0005265400000000, 0.0000803200000000 ] - [ -0.0003537000000000, 0.0000038600000000, 0.0002987200000000 ] - [ -0.0001695300000000, -0.0000139700000000, 0.0002616000000000 ] - [ -0.0001769100000000, 0.0007848300000000, -0.0001290200000000 ] - [ 0.0003138400000000, 0.0000230900000000, -0.0003490900000000 ] - [ 0.0004972300000000, -0.0000266200000000, -0.0001591700000000 ]- atom: 69 displacement: [ 0.0099999817982353, 0.0000000000000000, 0.0000190797002540 ] forces: - [ 0.0165356700000000, -0.0061543600000000, -0.0017338300000000 ] - [ -0.0016357200000000, 0.0000778500000000, -0.0002579400000000 ] - [ 0.0165356700000000, 0.0061543600000000, -0.0017338300000000 ] - [ -0.0010691700000000, 0.0000000000000000, -0.0000260300000000 ] - [ -0.0008533700000000, 0.0003059600000000, -0.0002754100000000 ] - [ -0.0013542100000000, 0.0000000000000000, 0.0002020200000000 ] - [ -0.0012352500000000, 0.0001410600000000, -0.0002668800000000 ] - [ 0.0104741400000000, 0.0000000000000000, 0.0044544900000000 ] - [ -0.0016357200000000, -0.0000778500000000, -0.0002579400000000 ] - [ -0.0013922100000000, 0.0000000000000000, -0.0004919100000000 ] - [ -0.0017167200000000, 0.0000000000000000, -0.0004321800000000 ] - [ -0.0008533700000000, -0.0003059600000000, -0.0002754100000000 ] - [ -0.0012263300000000, 0.0000000000000000, -0.0000134600000000 ] - [ 0.0003498700000000, 0.0010073900000000, 0.0011803300000000 ] - [ 0.0017959500000000, 0.0000000000000000, -0.0010295500000000 ] - [ 0.0134533400000000, 0.0029225100000000, -0.0000007300000000 ] - [ 0.0134533400000000, -0.0029225100000000, -0.0000007300000000 ] - [ 0.0038249100000000, 0.0000000000000000, -0.0008869400000000 ] - [ -0.0012352500000000, -0.0001410600000000, -0.0002668800000000 ] - [ 0.0003498700000000, -0.0010073900000000, 0.0011803300000000 ] - [ -0.0014481600000000, -0.0000091300000000, -0.0001944100000000 ] - [ -0.0015049200000000, 0.0000364400000000, -0.0003001400000000 ] - [ -0.0014481600000000, 0.0000091300000000, -0.0001944100000000 ] - [ -0.0010417400000000, 0.0000000000000000, -0.0001805700000000 ] - [ -0.0007992200000000, 0.0003460300000000, -0.0005758400000000 ] - [ -0.0014632500000000, 0.0000000000000000, -0.0002214500000000 ] - [ -0.0012995100000000, 0.0001990900000000, -0.0002382000000000 ] - [ -0.0017010100000000, 0.0000000000000000, -0.0000822800000000 ] - [ -0.0015049200000000, -0.0000364400000000, -0.0003001400000000 ] - [ -0.0014445900000000, 0.0000000000000000, -0.0005785200000000 ] - [ -0.0016738000000000, 0.0000000000000000, -0.0003613000000000 ] - [ -0.0007992200000000, -0.0003460300000000, -0.0005758400000000 ] - [ 0.0013472600000000, 0.0000000000000000, 0.0021018600000000 ] - [ -0.0012869400000000, 0.0000588700000000, -0.0001455900000000 ] - [ -0.0014940700000000, 0.0000000000000000, 0.0000329600000000 ] - [ -0.0008898200000000, 0.0000633100000000, -0.0002082900000000 ] - [ -0.0008898200000000, -0.0000633100000000, -0.0002082900000000 ] - [ -0.0008070100000000, 0.0000000000000000, -0.0003335300000000 ] - [ -0.0012995100000000, -0.0001990900000000, -0.0002382000000000 ] - [ -0.0012869400000000, -0.0000588700000000, -0.0001455900000000 ] - [ 0.0185469800000000, 0.0000000000000000, 0.0054576200000000 ] - [ -0.0028353900000000, 0.0000000000000000, -0.0006197000000000 ] - [ -0.0029416400000000, 0.0000000000000000, -0.0010969000000000 ] - [ -0.0065640200000000, 0.0000000000000000, -0.0032615700000000 ] - [ -0.0029191400000000, 0.0000000000000000, -0.0003429100000000 ] - [ -0.0020474400000000, 0.0000000000000000, 0.0001682400000000 ] - [ -0.0038751000000000, 0.0000000000000000, -0.0005984100000000 ] - [ -0.0036939500000000, 0.0000000000000000, -0.0006803500000000 ] - [ 0.0353090900000000, 0.0000000000000000, 0.0280085600000000 ] - [ -0.0023745000000000, 0.0000000000000000, -0.0004778500000000 ] - [ -0.0025920400000000, 0.0000000000000000, -0.0001671400000000 ] - [ -0.0028851500000000, 0.0000000000000000, -0.0003225900000000 ] - [ -0.0112590500000000, 0.0000000000000000, -0.0051950900000000 ] - [ 0.0022908400000000, -0.0009463200000000, 0.0006537500000000 ] - [ 0.0039157500000000, 0.0000000000000000, 0.0001899600000000 ] - [ -0.0114909800000000, 0.0000000000000000, -0.0012853700000000 ] - [ 0.0031868600000000, -0.0038127000000000, 0.0032945900000000 ] - [ 0.0022908400000000, 0.0009463200000000, 0.0006537500000000 ] - [ 0.0018754800000000, 0.0002892200000000, -0.0004887900000000 ] - [ 0.0022492300000000, 0.0000000000000000, 0.0007950300000000 ] - [ 0.0008690700000000, 0.0000000000000000, 0.0012879900000000 ] - [ -0.0080831100000000, 0.0040896000000000, -0.0010877400000000 ] - [ 0.0018775300000000, -0.0003012700000000, 0.0003363700000000 ] - [ 0.0048513900000000, -0.0041051900000000, 0.0001838700000000 ] - [ -0.0080831100000000, -0.0040896000000000, -0.0010877400000000 ] - [ 0.0022755700000000, 0.0000000000000000, 0.0005876300000000 ] - [ 0.0018775300000000, 0.0003012700000000, 0.0003363700000000 ] - [ 0.0006262900000000, 0.0000000000000000, 0.0001426700000000 ] - [ -0.1025307300000000, 0.0000000000000000, -0.0336342700000000 ] - [ 0.0048513900000000, 0.0041051900000000, 0.0001838700000000 ] - [ 0.0018470000000000, 0.0000000000000000, -0.0002308300000000 ] - [ 0.0026393100000000, 0.0000000000000000, 0.0011512800000000 ] - [ 0.0017796100000000, 0.0000000000000000, 0.0005141600000000 ] - [ 0.0025555700000000, -0.0010939800000000, 0.0006599400000000 ] - [ 0.0034835800000000, 0.0000000000000000, -0.0000506000000000 ] - [ 0.0014141900000000, 0.0000000000000000, 0.0004538600000000 ] - [ 0.0018754800000000, -0.0002892200000000, -0.0004887900000000 ] - [ 0.0025555700000000, 0.0010939800000000, 0.0006599400000000 ] - [ 0.0031868600000000, 0.0038127000000000, 0.0032945900000000 ] - [ 0.0005129800000000, 0.0000000000000000, 0.0007029000000000 ] - [ 0.0017603000000000, 0.0000000000000000, 0.0003064800000000 ] - [ 0.0026213800000000, -0.0007025800000000, 0.0001557600000000 ] - [ 0.0016385600000000, -0.0004869200000000, 0.0002354400000000 ] - [ 0.0019412800000000, -0.0004828800000000, 0.0003602200000000 ] - [ 0.0026213800000000, 0.0007025800000000, 0.0001557600000000 ] - [ 0.0021609800000000, 0.0000000000000000, 0.0002618000000000 ] - [ 0.0016385600000000, 0.0004869200000000, 0.0002354400000000 ] - [ 0.0024989600000000, 0.0000000000000000, 0.0005191500000000 ] - [ 0.0020351300000000, 0.0000000000000000, 0.0015480000000000 ] - [ 0.0019412800000000, 0.0004828800000000, 0.0003602200000000 ] - [ 0.0020180400000000, 0.0000000000000000, -0.0004381200000000 ] - [ 0.0027254100000000, 0.0000000000000000, 0.0015797900000000 ]- atom: 69 displacement: [ -0.0099999817982353, 0.0000000000000000, -0.0000190797002540 ] forces: - [ -0.0162827500000000, 0.0054302600000000, 0.0015896400000000 ] - [ 0.0014035700000000, -0.0000992900000000, 0.0000948100000000 ] - [ -0.0162827500000000, -0.0054302600000000, 0.0015896400000000 ] - [ 0.0014903200000000, 0.0000000000000000, 0.0000665100000000 ] - [ 0.0008870700000000, -0.0000619300000000, 0.0002127800000000 ] - [ 0.0009313200000000, 0.0000000000000000, -0.0002387700000000 ] - [ 0.0014394500000000, 0.0000104200000000, 0.0001830300000000 ] - [ -0.0107055700000000, 0.0000000000000000, -0.0037645400000000 ] - [ 0.0014035700000000, 0.0000992900000000, 0.0000948100000000 ] - [ 0.0017091800000000, 0.0000000000000000, 0.0000992400000000 ] - [ 0.0015152500000000, 0.0000000000000000, 0.0000508200000000 ] - [ 0.0008870700000000, 0.0000619300000000, 0.0002127800000000 ] - [ 0.0008052600000000, 0.0000000000000000, 0.0003294500000000 ] - [ -0.0001023400000000, -0.0009769500000000, -0.0010042000000000 ] - [ -0.0015735700000000, 0.0000000000000000, 0.0014023900000000 ] - [ -0.0135699100000000, -0.0033933200000000, 0.0001244600000000 ] - [ -0.0135699100000000, 0.0033933200000000, 0.0001244600000000 ] - [ -0.0034271400000000, 0.0000000000000000, 0.0005727500000000 ] - [ 0.0014394500000000, -0.0000104200000000, 0.0001830300000000 ] - [ -0.0001023400000000, 0.0009769500000000, -0.0010042000000000 ] - [ 0.0012436300000000, -0.0001417600000000, 0.0002783800000000 ] - [ 0.0012741000000000, -0.0000582700000000, 0.0001367900000000 ] - [ 0.0012436300000000, 0.0001417600000000, 0.0002783800000000 ] - [ 0.0014649200000000, 0.0000000000000000, 0.0002197100000000 ] - [ 0.0008354600000000, -0.0000987600000000, 0.0005154000000000 ] - [ 0.0010398100000000, 0.0000000000000000, 0.0001807800000000 ] - [ 0.0015101200000000, -0.0000452000000000, 0.0001551800000000 ] - [ 0.0013813700000000, 0.0000000000000000, 0.0004749900000000 ] - [ 0.0012741000000000, 0.0000582700000000, 0.0001367900000000 ] - [ 0.0017594500000000, 0.0000000000000000, 0.0001853500000000 ] - [ 0.0014731100000000, 0.0000000000000000, -0.0000194300000000 ] - [ 0.0008354600000000, 0.0000987600000000, 0.0005154000000000 ] - [ -0.0017806900000000, 0.0000000000000000, -0.0017932600000000 ] - [ 0.0015152000000000, -0.0000376100000000, 0.0003079900000000 ] - [ 0.0016930000000000, 0.0000000000000000, 0.0003476300000000 ] - [ 0.0008533600000000, -0.0003065200000000, 0.0002713100000000 ] - [ 0.0008533600000000, 0.0003065200000000, 0.0002713100000000 ] - [ 0.0012268200000000, 0.0000000000000000, 0.0000149200000000 ] - [ 0.0015101200000000, 0.0000452000000000, 0.0001551800000000 ] - [ 0.0015152000000000, 0.0000376100000000, 0.0003079900000000 ] - [ -0.0186616700000000, 0.0000000000000000, -0.0052140900000000 ] - [ 0.0029461100000000, 0.0000000000000000, 0.0003257700000000 ] - [ 0.0027875200000000, 0.0000000000000000, 0.0011927400000000 ] - [ 0.0066856300000000, 0.0000000000000000, 0.0031423800000000 ] - [ 0.0028058900000000, 0.0000000000000000, 0.0006365400000000 ] - [ 0.0021623200000000, 0.0000000000000000, -0.0004669900000000 ] - [ 0.0037184300000000, 0.0000000000000000, 0.0006989600000000 ] - [ 0.0038457400000000, 0.0000000000000000, 0.0005782600000000 ] - [ -0.0360068000000000, 0.0000000000000000, -0.0287379900000000 ] - [ 0.0025933600000000, 0.0000000000000000, 0.0001607300000000 ] - [ 0.0023705100000000, 0.0000000000000000, 0.0004829500000000 ] - [ 0.0031351100000000, 0.0000000000000000, 0.0000128600000000 ] - [ 0.0108196600000000, 0.0000000000000000, 0.0049254800000000 ] - [ -0.0016984400000000, -0.0006459200000000, -0.0003470300000000 ] - [ -0.0029068400000000, 0.0000000000000000, -0.0007546200000000 ] - [ 0.0110355600000000, 0.0000000000000000, 0.0019853500000000 ] - [ -0.0032605300000000, 0.0032861700000000, -0.0033596200000000 ] - [ -0.0016984400000000, 0.0006459200000000, -0.0003470300000000 ] - [ -0.0018734200000000, 0.0002914500000000, 0.0004907300000000 ] - [ -0.0017880100000000, 0.0000000000000000, -0.0005216400000000 ] - [ -0.0012821700000000, 0.0000000000000000, -0.0012276200000000 ] - [ 0.0088228500000000, -0.0050875300000000, 0.0008864300000000 ] - [ -0.0026589300000000, -0.0006989100000000, -0.0001570000000000 ] - [ -0.0054094000000000, 0.0024773300000000, -0.0004879500000000 ] - [ 0.0088228500000000, 0.0050875300000000, 0.0008864300000000 ] - [ -0.0018625900000000, 0.0000000000000000, -0.0006442200000000 ] - [ -0.0026589300000000, 0.0006989100000000, -0.0001570000000000 ] - [ -0.0016352500000000, 0.0000000000000000, 0.0004188900000000 ] - [ 0.1017194600000000, 0.0000000000000000, 0.0352898500000000 ] - [ -0.0054094000000000, -0.0024773300000000, -0.0004879500000000 ] - [ -0.0014127300000000, 0.0000000000000000, -0.0004330600000000 ] - [ -0.0020266400000000, 0.0000000000000000, -0.0015434900000000 ] - [ -0.0022381700000000, 0.0000000000000000, -0.0007943800000000 ] - [ -0.0019639100000000, -0.0004941100000000, -0.0003573500000000 ] - [ -0.0024802200000000, 0.0000000000000000, -0.0005138300000000 ] - [ -0.0018510100000000, 0.0000000000000000, 0.0002133700000000 ] - [ -0.0018734200000000, -0.0002914500000000, 0.0004907300000000 ] - [ -0.0019639100000000, 0.0004941100000000, -0.0003573500000000 ] - [ -0.0032605300000000, -0.0032861700000000, -0.0033596200000000 ] - [ -0.0000545300000000, 0.0000000000000000, -0.0004342000000000 ] - [ -0.0021702300000000, 0.0000000000000000, -0.0002477500000000 ] - [ -0.0018395500000000, -0.0002972300000000, -0.0003383600000000 ] - [ -0.0024156800000000, -0.0005115500000000, -0.0000534200000000 ] - [ -0.0025313600000000, -0.0011059200000000, -0.0006638200000000 ] - [ -0.0018395500000000, 0.0002972300000000, -0.0003383600000000 ] - [ -0.0017516500000000, 0.0000000000000000, -0.0003178200000000 ] - [ -0.0024156800000000, 0.0005115500000000, -0.0000534200000000 ] - [ -0.0034998900000000, 0.0000000000000000, 0.0000446600000000 ] - [ -0.0026519400000000, 0.0000000000000000, -0.0011500500000000 ] - [ -0.0025313600000000, 0.0011059200000000, -0.0006638200000000 ] - [ -0.0015923200000000, 0.0000000000000000, -0.0002214800000000 ] - [ -0.0021126900000000, 0.0000000000000000, -0.0019704500000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0074838000000000, 0.0141825200000000, 0.0030248100000000 ] - [ -0.0000586800000000, -0.0000207100000000, -0.0000790300000000 ] - [ 0.0078771100000000, 0.0148447800000000, -0.0031961800000000 ] - [ 0.0002088200000000, 0.0001084700000000, 0.0000228100000000 ] - [ 0.0000165900000000, 0.0001216400000000, -0.0000288700000000 ] - [ -0.0002117500000000, -0.0007941600000000, -0.0000224400000000 ] - [ 0.0000949700000000, 0.0000725200000000, -0.0000438100000000 ] - [ -0.0001689600000000, 0.0077023100000000, 0.0001608700000000 ] - [ -0.0002196300000000, 0.0000105600000000, -0.0001036200000000 ] - [ 0.0001544400000000, 0.0000034100000000, -0.0001929100000000 ] - [ -0.0001048200000000, -0.0000043900000000, -0.0001902600000000 ] - [ 0.0000144900000000, -0.0001219200000000, -0.0000283300000000 ] - [ -0.0002077800000000, 0.0000004400000000, 0.0001666100000000 ] - [ 0.0012370100000000, 0.0001105300000000, -0.0000202400000000 ] - [ 0.0000941700000000, -0.0022412800000000, 0.0001856300000000 ] - [ 0.0010806200000000, 0.0084084800000000, 0.0004497700000000 ] - [ -0.0015469400000000, 0.0094660800000000, -0.0002138600000000 ] - [ 0.0002250800000000, -0.0004483800000000, -0.0001601100000000 ] - [ 0.0000885500000000, -0.0000720200000000, -0.0000482300000000 ] - [ -0.0009778900000000, 0.0000850900000000, 0.0001967000000000 ] - [ -0.0000955200000000, -0.0000733900000000, 0.0000447100000000 ] - [ -0.0001482400000000, -0.0000202800000000, -0.0000970600000000 ] - [ -0.0000939100000000, 0.0000716200000000, 0.0000467000000000 ] - [ 0.0002058700000000, 0.0000048800000000, 0.0000265000000000 ] - [ 0.0003053600000000, 0.0000892000000000, 0.0003022600000000 ] - [ -0.0002093000000000, -0.0000033800000000, -0.0000232700000000 ] - [ 0.0001159600000000, 0.0000725600000000, -0.0000519500000000 ] - [ -0.0001553300000000, -0.0000015100000000, 0.0001929600000000 ] - [ -0.0001225600000000, 0.0000095700000000, -0.0000811100000000 ] - [ 0.0001550500000000, -0.0000174200000000, -0.0001935200000000 ] - [ -0.0001039000000000, 0.0000082600000000, -0.0001899900000000 ] - [ -0.0002739500000000, -0.0001578900000000, -0.0003563500000000 ] - [ -0.0001975700000000, -0.0009382800000000, 0.0001667000000000 ] - [ 0.0001401400000000, 0.0000169100000000, 0.0000953800000000 ] - [ 0.0001019800000000, -0.0000014100000000, 0.0001902200000000 ] - [ -0.0000124100000000, -0.0001236800000000, 0.0000275500000000 ] - [ -0.0000144200000000, 0.0001219200000000, 0.0000280800000000 ] - [ 0.0002091700000000, -0.0000023000000000, -0.0001654600000000 ] - [ 0.0000678900000000, -0.0000737000000000, -0.0000384500000000 ] - [ 0.0001117500000000, -0.0000062900000000, 0.0000787300000000 ] - [ -0.0000752200000000, -0.0100021800000000, 0.0001938700000000 ] - [ 0.0000575600000000, 0.0000010100000000, -0.0001487000000000 ] - [ -0.0000794900000000, -0.0000695700000000, 0.0000534400000000 ] - [ 0.0000814900000000, 0.0043202700000000, -0.0000507800000000 ] - [ -0.0000637500000000, -0.0000087100000000, 0.0001479400000000 ] - [ 0.0000611800000000, 0.0000653300000000, -0.0001473700000000 ] - [ -0.0000802600000000, -0.0000143600000000, 0.0000518200000000 ] - [ 0.0000733600000000, 0.0000055300000000, -0.0000534100000000 ] - [ -0.0000025100000000, 0.0092980100000000, 0.0003034200000000 ] - [ 0.0001033800000000, 0.0000005300000000, -0.0001572400000000 ] - [ -0.0001045000000000, 0.0000009600000000, 0.0001567800000000 ] - [ 0.0001167700000000, 0.0020951400000000, -0.0001630900000000 ] - [ -0.0002523500000000, 0.0027537300000000, -0.0001312800000000 ] - [ 0.0002983800000000, -0.0007811000000000, 0.0001331500000000 ] - [ 0.0005172000000000, -0.0007794500000000, -0.0002835100000000 ] - [ -0.0001929300000000, 0.0232049400000000, 0.0002829600000000 ] - [ -0.0049304700000000, -0.0000189300000000, -0.0034591300000000 ] - [ 0.0003028500000000, 0.0008184000000000, 0.0001819400000000 ] - [ 0.0000092000000000, 0.0002752800000000, 0.0000062800000000 ] - [ 0.0002318700000000, -0.0000054200000000, 0.0001374100000000 ] - [ -0.0002067000000000, -0.0011706800000000, 0.0000376500000000 ] - [ 0.0012287100000000, 0.0049151100000000, 0.0039622800000000 ] - [ -0.0003970200000000, -0.0005086500000000, 0.0000859300000000 ] - [ -0.0037718200000000, -0.0015689900000000, -0.0007472900000000 ] - [ -0.0003905800000000, 0.0059561200000000, -0.0041220700000000 ] - [ 0.0002089800000000, 0.0001583700000000, -0.0000385800000000 ] - [ -0.0004056700000000, 0.0005016700000000, 0.0000857600000000 ] - [ -0.0005108100000000, 0.0005909700000000, 0.0002870900000000 ] - [ -0.0005085600000000, -0.0907359400000000, 0.0001412800000000 ] - [ 0.0031797500000000, 0.0000139900000000, 0.0004337100000000 ] - [ 0.0002092100000000, -0.0000078200000000, -0.0003292900000000 ] - [ 0.0003011500000000, 0.0000099300000000, -0.0001891000000000 ] - [ -0.0002256700000000, 0.0000102300000000, -0.0001311600000000 ] - [ 0.0002923100000000, -0.0007968100000000, 0.0001561600000000 ] - [ 0.0005176200000000, -0.0000066600000000, -0.0002855900000000 ] - [ -0.0002013000000000, 0.0000118800000000, 0.0003252500000000 ] - [ -0.0000095700000000, -0.0002772800000000, -0.0000066800000000 ] - [ 0.0003064000000000, 0.0008040200000000, 0.0001588800000000 ] - [ 0.0048603300000000, 0.0005679900000000, 0.0034504500000000 ] - [ 0.0002281000000000, 0.0001525900000000, 0.0001379500000000 ] - [ -0.0002040500000000, -0.0000034600000000, 0.0000395500000000 ] - [ 0.0004025400000000, -0.0005015800000000, -0.0000828800000000 ] - [ -0.0003701000000000, -0.0005334700000000, 0.0000676500000000 ] - [ -0.0002963900000000, -0.0008012200000000, -0.0001578200000000 ] - [ 0.0004048800000000, 0.0005083400000000, -0.0000864500000000 ] - [ 0.0002093400000000, 0.0000072700000000, -0.0000368800000000 ] - [ -0.0004351200000000, 0.0004811500000000, 0.0001035700000000 ] - [ -0.0005093200000000, 0.0000045800000000, 0.0002860000000000 ] - [ -0.0002932900000000, -0.0000138500000000, 0.0001902200000000 ] - [ -0.0002933200000000, 0.0007969400000000, -0.0001549500000000 ] - [ 0.0002078600000000, 0.0002608100000000, -0.0003329100000000 ] - [ 0.0003027500000000, -0.0003743500000000, -0.0001841700000000 ]- atom: 69 displacement: [ -0.0016676867133328, 0.0000000000000000, 0.0098599604982055 ] forces: - [ -0.0061706400000000, 0.0059984400000000, 0.0085163600000000 ] - [ -0.0006764000000000, 0.0000182200000000, -0.0001788000000000 ] - [ -0.0061706400000000, -0.0059984400000000, 0.0085163600000000 ] - [ -0.0003353400000000, 0.0000000000000000, -0.0001160800000000 ] - [ -0.0003302700000000, 0.0001976000000000, -0.0001253700000000 ] - [ -0.0005830500000000, 0.0000000000000000, -0.0001459200000000 ] - [ -0.0004388500000000, 0.0001007600000000, -0.0001381500000000 ] - [ 0.0023670200000000, 0.0000000000000000, 0.0089801600000000 ] - [ -0.0006764000000000, -0.0000182200000000, -0.0001788000000000 ] - [ -0.0004563500000000, 0.0000000000000000, -0.0003043500000000 ] - [ -0.0007608500000000, 0.0000000000000000, -0.0002473200000000 ] - [ -0.0003302700000000, -0.0001976000000000, -0.0001253700000000 ] - [ -0.0006172600000000, 0.0000000000000000, 0.0000894600000000 ] - [ 0.0000206100000000, 0.0000286600000000, -0.0002057700000000 ] - [ -0.0001321200000000, 0.0000000000000000, 0.0002259100000000 ] - [ 0.0014374600000000, 0.0003428500000000, 0.0049123300000000 ] - [ 0.0014374600000000, -0.0003428500000000, 0.0049123300000000 ] - [ 0.0017712600000000, 0.0000000000000000, 0.0000111600000000 ] - [ -0.0004388500000000, -0.0001007600000000, -0.0001381500000000 ] - [ 0.0000206100000000, -0.0000286600000000, -0.0002057700000000 ] - [ -0.0006374200000000, -0.0000487900000000, -0.0000512900000000 ] - [ -0.0006578300000000, 0.0000161300000000, -0.0001700000000000 ] - [ -0.0006374200000000, 0.0000487900000000, -0.0000512900000000 ] - [ -0.0002818700000000, 0.0000000000000000, -0.0000565900000000 ] - [ 0.0003291300000000, 0.0007603100000000, 0.0000698900000000 ] - [ -0.0007060900000000, 0.0000000000000000, -0.0001061800000000 ] - [ -0.0005018800000000, 0.0003881400000000, -0.0000622400000000 ] - [ -0.0007690900000000, 0.0000000000000000, 0.0000848800000000 ] - [ -0.0006578300000000, -0.0000161300000000, -0.0001700000000000 ] - [ -0.0006396600000000, 0.0000000000000000, -0.0004964800000000 ] - [ -0.0006776100000000, 0.0000000000000000, -0.0002191400000000 ] - [ 0.0003291300000000, -0.0007603100000000, 0.0000698900000000 ] - [ 0.0015174900000000, 0.0000000000000000, 0.0006156100000000 ] - [ -0.0004360800000000, 0.0000319500000000, -0.0000053600000000 ] - [ -0.0005329400000000, 0.0000000000000000, 0.0001269600000000 ] - [ -0.0003654400000000, -0.0000505400000000, -0.0000660900000000 ] - [ -0.0003654400000000, 0.0000505400000000, -0.0000660900000000 ] - [ -0.0001930800000000, 0.0000000000000000, -0.0002288400000000 ] - [ -0.0005018800000000, -0.0003881400000000, -0.0000622400000000 ] - [ -0.0004360800000000, -0.0000319500000000, -0.0000053600000000 ] - [ 0.0068971300000000, 0.0000000000000000, -0.0013282300000000 ] - [ -0.0010868400000000, 0.0000000000000000, -0.0003456600000000 ] - [ -0.0014471700000000, 0.0000000000000000, -0.0001893900000000 ] - [ -0.0023475100000000, 0.0000000000000000, 0.0005367200000000 ] - [ -0.0011989500000000, 0.0000000000000000, -0.0000465700000000 ] - [ 0.0003647900000000, 0.0000000000000000, 0.0000561300000000 ] - [ -0.0016332900000000, 0.0000000000000000, -0.0002107100000000 ] - [ -0.0014205600000000, 0.0000000000000000, -0.0003040700000000 ] - [ 0.0264441700000000, 0.0000000000000000, 0.0494063200000000 ] - [ -0.0008820600000000, 0.0000000000000000, -0.0002898400000000 ] - [ -0.0010988100000000, 0.0000000000000000, 0.0000293500000000 ] - [ 0.0048495900000000, 0.0000000000000000, -0.0020660100000000 ] - [ -0.0057222100000000, 0.0000000000000000, 0.0002944600000000 ] - [ 0.0011848400000000, -0.0008739600000000, 0.0003601600000000 ] - [ 0.0016527800000000, 0.0000000000000000, -0.0002330600000000 ] - [ -0.0034599800000000, 0.0000000000000000, -0.0007387500000000 ] - [ -0.0041582400000000, -0.0010760500000000, -0.0035192600000000 ] - [ 0.0011848400000000, 0.0008739600000000, 0.0003601600000000 ] - [ 0.0007489200000000, 0.0002893700000000, -0.0001938900000000 ] - [ 0.0010305800000000, 0.0000000000000000, 0.0003908500000000 ] - [ 0.0012363500000000, 0.0000000000000000, 0.0004055100000000 ] - [ -0.0010093600000000, 0.0025526000000000, 0.0090591800000000 ] - [ 0.0004982800000000, -0.0004236500000000, 0.0001880000000000 ] - [ 0.0006304000000000, -0.0011822900000000, -0.0012833300000000 ] - [ -0.0010093600000000, -0.0025526000000000, 0.0090591800000000 ] - [ 0.0009439900000000, 0.0000000000000000, 0.0000791300000000 ] - [ 0.0004982800000000, 0.0004236500000000, 0.0001880000000000 ] - [ 0.0004556000000000, 0.0000000000000000, 0.0002487400000000 ] - [ -0.0168127300000000, 0.0000000000000000, -0.0928949500000000 ] - [ 0.0006304000000000, 0.0011822900000000, -0.0012833300000000 ] - [ 0.0008654400000000, 0.0000000000000000, -0.0002768100000000 ] - [ 0.0012441700000000, 0.0000000000000000, 0.0003445300000000 ] - [ 0.0005735200000000, 0.0000000000000000, 0.0001284800000000 ] - [ 0.0012149100000000, -0.0008623900000000, 0.0003389400000000 ] - [ 0.0016899000000000, 0.0000000000000000, -0.0001924800000000 ] - [ 0.0004375700000000, 0.0000000000000000, 0.0003737900000000 ] - [ 0.0007489200000000, -0.0002893700000000, -0.0001938900000000 ] - [ 0.0012149100000000, 0.0008623900000000, 0.0003389400000000 ] - [ -0.0041582400000000, 0.0010760500000000, -0.0035192600000000 ] - [ -0.0006937300000000, 0.0000000000000000, -0.0002297200000000 ] - [ 0.0005766100000000, 0.0000000000000000, 0.0001455700000000 ] - [ 0.0012824000000000, -0.0005835300000000, 0.0000097400000000 ] - [ 0.0002233100000000, -0.0008941100000000, 0.0001982200000000 ] - [ 0.0005919400000000, -0.0006776100000000, 0.0000508200000000 ] - [ 0.0012824000000000, 0.0005835300000000, 0.0000097400000000 ] - [ 0.0009914800000000, 0.0000000000000000, 0.0000881800000000 ] - [ 0.0002233100000000, 0.0008941100000000, 0.0001982200000000 ] - [ 0.0006861800000000, 0.0000000000000000, 0.0003759300000000 ] - [ 0.0006257700000000, 0.0000000000000000, 0.0007328100000000 ] - [ 0.0005919400000000, 0.0006776100000000, 0.0000508200000000 ] - [ 0.0000655900000000, 0.0000000000000000, -0.0003534600000000 ] - [ 0.0016425800000000, 0.0000000000000000, 0.0024417500000000 ]- atom: 69 displacement: [ 0.0016676867133328, 0.0000000000000000, -0.0098599604982055 ] forces: - [ 0.0061034500000000, -0.0063168800000000, -0.0084309800000000 ] - [ 0.0004514600000000, -0.0000400500000000, 0.0000161900000000 ] - [ 0.0061034500000000, 0.0063168800000000, -0.0084309800000000 ] - [ 0.0007575400000000, 0.0000000000000000, 0.0001580000000000 ] - [ 0.0003680400000000, 0.0000481000000000, 0.0000663700000000 ] - [ 0.0001663700000000, 0.0000000000000000, 0.0001049400000000 ] - [ 0.0006443400000000, 0.0000493500000000, 0.0000539700000000 ] - [ -0.0022176200000000, 0.0000000000000000, -0.0077629200000000 ] - [ 0.0004514600000000, 0.0000400500000000, 0.0000161900000000 ] - [ 0.0007751600000000, 0.0000000000000000, -0.0000866200000000 ] - [ 0.0005618700000000, 0.0000000000000000, -0.0001317800000000 ] - [ 0.0003680400000000, -0.0000481000000000, 0.0000663700000000 ] - [ 0.0001983800000000, 0.0000000000000000, 0.0002288800000000 ] - [ 0.0001994800000000, -0.0000089600000000, 0.0003585200000000 ] - [ 0.0003240400000000, 0.0000000000000000, 0.0001716900000000 ] - [ -0.0015509800000000, -0.0006786500000000, -0.0048201200000000 ] - [ -0.0015509800000000, 0.0006786500000000, -0.0048201200000000 ] - [ -0.0013622400000000, 0.0000000000000000, -0.0003400100000000 ] - [ 0.0006443400000000, -0.0000493500000000, 0.0000539700000000 ] - [ 0.0001994800000000, 0.0000089600000000, 0.0003585200000000 ] - [ 0.0004418200000000, -0.0001011700000000, 0.0001372100000000 ] - [ 0.0004280300000000, -0.0000378300000000, 0.0000047700000000 ] - [ 0.0004418200000000, 0.0001011700000000, 0.0001372100000000 ] - [ 0.0007055400000000, 0.0000000000000000, 0.0000963300000000 ] - [ -0.0002935200000000, -0.0005210800000000, -0.0001336300000000 ] - [ 0.0002915000000000, 0.0000000000000000, 0.0000606000000000 ] - [ 0.0007067100000000, -0.0002398100000000, -0.0000226700000000 ] - [ 0.0004593800000000, 0.0000000000000000, 0.0003088900000000 ] - [ 0.0004280300000000, 0.0000378300000000, 0.0000047700000000 ] - [ 0.0009583800000000, 0.0000000000000000, 0.0001062300000000 ] - [ 0.0004782200000000, 0.0000000000000000, -0.0001603500000000 ] - [ -0.0002935200000000, 0.0005210800000000, -0.0001336300000000 ] - [ -0.0019475200000000, 0.0000000000000000, -0.0002931700000000 ] - [ 0.0006822700000000, -0.0000085000000000, 0.0001738400000000 ] - [ 0.0007408600000000, 0.0000000000000000, 0.0002544000000000 ] - [ 0.0003324700000000, -0.0001959900000000, 0.0001274400000000 ] - [ 0.0003324700000000, 0.0001959900000000, 0.0001274400000000 ] - [ 0.0006180000000000, 0.0000000000000000, -0.0000886700000000 ] - [ 0.0007067100000000, 0.0002398100000000, -0.0000226700000000 ] - [ 0.0006822700000000, 0.0000085000000000, 0.0001738400000000 ] - [ -0.0069829100000000, 0.0000000000000000, 0.0015353300000000 ] - [ 0.0012072000000000, 0.0000000000000000, 0.0000511800000000 ] - [ 0.0012973400000000, 0.0000000000000000, 0.0002968300000000 ] - [ 0.0025251200000000, 0.0000000000000000, -0.0006081600000000 ] - [ 0.0010960400000000, 0.0000000000000000, 0.0003432000000000 ] - [ -0.0002490800000000, 0.0000000000000000, -0.0003504800000000 ] - [ 0.0014883700000000, 0.0000000000000000, 0.0003169100000000 ] - [ 0.0015849100000000, 0.0000000000000000, 0.0002047300000000 ] - [ -0.0279618600000000, 0.0000000000000000, -0.0507386600000000 ] - [ 0.0011043100000000, 0.0000000000000000, -0.0000263100000000 ] - [ 0.0008901500000000, 0.0000000000000000, 0.0002883200000000 ] - [ -0.0046406400000000, 0.0000000000000000, 0.0017974900000000 ] - [ 0.0052877900000000, 0.0000000000000000, -0.0005546000000000 ] - [ -0.0005944500000000, -0.0007205000000000, -0.0000546400000000 ] - [ -0.0006550300000000, 0.0000000000000000, -0.0003377200000000 ] - [ 0.0030334700000000, 0.0000000000000000, 0.0014718000000000 ] - [ 0.0042079800000000, 0.0005221300000000, 0.0035622800000000 ] - [ -0.0005944500000000, 0.0007205000000000, -0.0000546400000000 ] - [ -0.0007535300000000, 0.0002852300000000, 0.0001970400000000 ] - [ -0.0005765100000000, 0.0000000000000000, -0.0001234600000000 ] - [ -0.0016385500000000, 0.0000000000000000, -0.0003481700000000 ] - [ 0.0018427100000000, -0.0034867600000000, -0.0091982800000000 ] - [ -0.0012889500000000, -0.0005798600000000, -0.0000107800000000 ] - [ -0.0012576200000000, -0.0003949900000000, 0.0009713900000000 ] - [ 0.0018427100000000, 0.0034867600000000, -0.0091982800000000 ] - [ -0.0005371800000000, 0.0000000000000000, -0.0001461100000000 ] - [ -0.0012889500000000, 0.0005798600000000, -0.0000107800000000 ] - [ -0.0014618800000000, 0.0000000000000000, 0.0003185400000000 ] - [ 0.0167529400000000, 0.0000000000000000, 0.0938509900000000 ] - [ -0.0012576200000000, 0.0003949900000000, 0.0009713900000000 ] - [ -0.0004411300000000, 0.0000000000000000, -0.0003808200000000 ] - [ -0.0006402100000000, 0.0000000000000000, -0.0007390100000000 ] - [ -0.0010381400000000, 0.0000000000000000, -0.0004049000000000 ] - [ -0.0006258500000000, -0.0007298000000000, -0.0000320900000000 ] - [ -0.0006856900000000, 0.0000000000000000, -0.0003722400000000 ] - [ -0.0008725800000000, 0.0000000000000000, 0.0002877100000000 ] - [ -0.0007535300000000, -0.0002852300000000, 0.0001970400000000 ] - [ -0.0006258500000000, 0.0007298000000000, -0.0000320900000000 ] - [ 0.0042079800000000, -0.0005221300000000, 0.0035622800000000 ] - [ 0.0011518200000000, 0.0000000000000000, 0.0005039000000000 ] - [ -0.0009966100000000, 0.0000000000000000, -0.0000850400000000 ] - [ -0.0005050500000000, -0.0004190400000000, -0.0001886500000000 ] - [ -0.0010132400000000, -0.0001056100000000, -0.0000219000000000 ] - [ -0.0011941900000000, -0.0009166500000000, -0.0003577700000000 ] - [ -0.0005050500000000, 0.0004190400000000, -0.0001886500000000 ] - [ -0.0005833100000000, 0.0000000000000000, -0.0001550700000000 ] - [ -0.0010132400000000, 0.0001056100000000, -0.0000219000000000 ] - [ -0.0017035600000000, 0.0000000000000000, 0.0001886900000000 ] - [ -0.0012449400000000, 0.0000000000000000, -0.0003441100000000 ] - [ -0.0011941900000000, 0.0009166500000000, -0.0003577700000000 ] - [ 0.0003649600000000, 0.0000000000000000, -0.0003064600000000 ] - [ -0.0010452000000000, 0.0000000000000000, -0.0028557200000000 ]