# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d6486165-88f7-4058-9d02-f5cf810ed0d2/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 Al2O3 / Pna2_1 (33) / materials id 2254](https://mdr.nims.go.jp/datasets/e47bb60a-af7c-4f73-8597-246bbaaf2b58) ## 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: "Pna2_1" number: 33 Hall_symbol: "P 2c -2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.852960170000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.330167160000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.952606570000000 ] # c points: - symbol: Al # 1 coordinates: [ 0.678288520000000, 0.651717960000000, 0.206750010000000 ] mass: 26.981539 - symbol: Al # 2 coordinates: [ 0.821711480000000, 0.151717960000000, 0.706750010000000 ] mass: 26.981539 - symbol: Al # 3 coordinates: [ 0.683692190000000, 0.339822990000000, 0.016037350000000 ] mass: 26.981539 - symbol: Al # 4 coordinates: [ 0.816307810000000, 0.839822990000000, 0.516037350000000 ] mass: 26.981539 - symbol: Al # 5 coordinates: [ 0.316307810000000, 0.660177010000000, 0.516037350000000 ] mass: 26.981539 - symbol: Al # 6 coordinates: [ 0.173372280000000, 0.530188450000000, 0.006351970000000 ] mass: 26.981539 - symbol: Al # 7 coordinates: [ 0.686343830000000, 0.654157810000000, 0.794195340000000 ] mass: 26.981539 - symbol: Al # 8 coordinates: [ 0.186343830000000, 0.845842190000000, 0.794195340000000 ] mass: 26.981539 - symbol: Al # 9 coordinates: [ 0.313656170000000, 0.345842190000000, 0.294195340000000 ] mass: 26.981539 - symbol: Al # 10 coordinates: [ 0.826627720000000, 0.469811550000000, 0.506351970000000 ] mass: 26.981539 - symbol: Al # 11 coordinates: [ 0.673372280000000, 0.969811550000000, 0.006351970000000 ] mass: 26.981539 - symbol: Al # 12 coordinates: [ 0.178288520000000, 0.848282040000000, 0.206750010000000 ] mass: 26.981539 - symbol: Al # 13 coordinates: [ 0.321711480000000, 0.348282040000000, 0.706750010000000 ] mass: 26.981539 - symbol: Al # 14 coordinates: [ 0.813656170000000, 0.154157810000000, 0.294195340000000 ] mass: 26.981539 - symbol: Al # 15 coordinates: [ 0.326627720000000, 0.030188450000000, 0.506351970000000 ] mass: 26.981539 - symbol: Al # 16 coordinates: [ 0.183692190000000, 0.160177010000000, 0.016037350000000 ] mass: 26.981539 - symbol: O # 17 coordinates: [ 0.977976460000000, 0.012563920000000, 0.141640110000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.342889750000000, 0.338867170000000, 0.906214320000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.020360420000000, 0.324688910000000, 0.135380610000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.479538110000000, 0.168385030000000, 0.647494700000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.842889750000000, 0.161132830000000, 0.906214320000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.343515600000000, 0.668340490000000, 0.880284550000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.979639580000000, 0.675311090000000, 0.635380610000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.157110250000000, 0.838867170000000, 0.406214320000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.979538110000000, 0.331614970000000, 0.647494700000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.520360420000000, 0.175311090000000, 0.135380610000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.522023540000000, 0.512563920000000, 0.641640110000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.657110250000000, 0.661132830000000, 0.406214320000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.657025150000000, 0.001005320000000, 0.411751060000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.520461890000000, 0.831614970000000, 0.147494700000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.020461890000000, 0.668385030000000, 0.147494700000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.022023540000000, 0.987436080000000, 0.641640110000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.157025150000000, 0.498994680000000, 0.411751060000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.156484400000000, 0.168340490000000, 0.380284550000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.479639580000000, 0.824688910000000, 0.635380610000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.656484400000000, 0.331659510000000, 0.380284550000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.477976460000000, 0.487436080000000, 0.141640110000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.842974850000000, 0.501005320000000, 0.911751060000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.342974850000000, 0.998994680000000, 0.911751060000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.843515600000000, 0.831659510000000, 0.880284550000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.206059799580016, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.120045610225185, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.111699312617063 ] # c*unit_cell: lattice: - [ 4.852960170000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.330167160000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.952606570000000 ] # c points: - symbol: Al # 1 coordinates: [ 0.678288520000000, 0.651717960000000, 0.206750010000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 2 coordinates: [ 0.821711480000000, 0.151717960000000, 0.706750010000000 ] mass: 26.981539 reduced_to: 2 - symbol: Al # 3 coordinates: [ 0.683692190000000, 0.339822990000000, 0.016037350000000 ] mass: 26.981539 reduced_to: 3 - symbol: Al # 4 coordinates: [ 0.816307810000000, 0.839822990000000, 0.516037350000000 ] mass: 26.981539 reduced_to: 4 - symbol: Al # 5 coordinates: [ 0.316307810000000, 0.660177010000000, 0.516037350000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 6 coordinates: [ 0.173372280000000, 0.530188450000000, 0.006351970000000 ] mass: 26.981539 reduced_to: 6 - symbol: Al # 7 coordinates: [ 0.686343830000000, 0.654157810000000, 0.794195340000000 ] mass: 26.981539 reduced_to: 7 - symbol: Al # 8 coordinates: [ 0.186343830000000, 0.845842190000000, 0.794195340000000 ] mass: 26.981539 reduced_to: 8 - symbol: Al # 9 coordinates: [ 0.313656170000000, 0.345842190000000, 0.294195340000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.826627720000000, 0.469811550000000, 0.506351970000000 ] mass: 26.981539 reduced_to: 10 - symbol: Al # 11 coordinates: [ 0.673372280000000, 0.969811550000000, 0.006351970000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 12 coordinates: [ 0.178288520000000, 0.848282040000000, 0.206750010000000 ] mass: 26.981539 reduced_to: 12 - symbol: Al # 13 coordinates: [ 0.321711480000000, 0.348282040000000, 0.706750010000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 14 coordinates: [ 0.813656170000000, 0.154157810000000, 0.294195340000000 ] mass: 26.981539 reduced_to: 14 - symbol: Al # 15 coordinates: [ 0.326627720000000, 0.030188450000000, 0.506351970000000 ] mass: 26.981539 reduced_to: 15 - symbol: Al # 16 coordinates: [ 0.183692190000000, 0.160177010000000, 0.016037350000000 ] mass: 26.981539 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.977976460000000, 0.012563920000000, 0.141640110000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.342889750000000, 0.338867170000000, 0.906214320000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.020360420000000, 0.324688910000000, 0.135380610000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.479538110000000, 0.168385030000000, 0.647494700000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.842889750000000, 0.161132830000000, 0.906214320000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.343515600000000, 0.668340490000000, 0.880284550000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.979639580000000, 0.675311090000000, 0.635380610000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.157110250000000, 0.838867170000000, 0.406214320000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.979538110000000, 0.331614970000000, 0.647494700000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.520360420000000, 0.175311090000000, 0.135380610000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.522023540000000, 0.512563920000000, 0.641640110000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.657110250000000, 0.661132830000000, 0.406214320000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.657025150000000, 0.001005320000000, 0.411751060000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.520461890000000, 0.831614970000000, 0.147494700000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.020461890000000, 0.668385030000000, 0.147494700000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.022023540000000, 0.987436080000000, 0.641640110000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.157025150000000, 0.498994680000000, 0.411751060000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.156484400000000, 0.168340490000000, 0.380284550000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.479639580000000, 0.824688910000000, 0.635380610000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.656484400000000, 0.331659510000000, 0.380284550000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.477976460000000, 0.487436080000000, 0.141640110000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.842974850000000, 0.501005320000000, 0.911751060000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.342974850000000, 0.998994680000000, 0.911751060000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.843515600000000, 0.831659510000000, 0.880284550000000 ] mass: 15.999400 reduced_to: 40supercell: lattice: - [ 9.705920340000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.330167160000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.952606570000000 ] # c points: - symbol: Al # 1 coordinates: [ 0.339144260000000, 0.651717960000000, 0.206750010000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 2 coordinates: [ 0.839144260000000, 0.651717960000000, 0.206750010000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 3 coordinates: [ 0.410855740000000, 0.151717960000000, 0.706750010000000 ] mass: 26.981539 reduced_to: 3 - symbol: Al # 4 coordinates: [ 0.910855740000000, 0.151717960000000, 0.706750010000000 ] mass: 26.981539 reduced_to: 3 - symbol: Al # 5 coordinates: [ 0.341846095000000, 0.339822990000000, 0.016037350000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 6 coordinates: [ 0.841846095000000, 0.339822990000000, 0.016037350000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 7 coordinates: [ 0.408153905000000, 0.839822990000000, 0.516037350000000 ] mass: 26.981539 reduced_to: 7 - symbol: Al # 8 coordinates: [ 0.908153905000000, 0.839822990000000, 0.516037350000000 ] mass: 26.981539 reduced_to: 7 - symbol: Al # 9 coordinates: [ 0.158153905000000, 0.660177010000000, 0.516037350000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.658153905000000, 0.660177010000000, 0.516037350000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 11 coordinates: [ 0.086686140000000, 0.530188450000000, 0.006351970000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 12 coordinates: [ 0.586686140000000, 0.530188450000000, 0.006351970000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 13 coordinates: [ 0.343171915000000, 0.654157810000000, 0.794195340000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 14 coordinates: [ 0.843171915000000, 0.654157810000000, 0.794195340000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 15 coordinates: [ 0.093171915000000, 0.845842190000000, 0.794195340000000 ] mass: 26.981539 reduced_to: 15 - symbol: Al # 16 coordinates: [ 0.593171915000000, 0.845842190000000, 0.794195340000000 ] mass: 26.981539 reduced_to: 15 - symbol: Al # 17 coordinates: [ 0.156828085000000, 0.345842190000000, 0.294195340000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 18 coordinates: [ 0.656828085000000, 0.345842190000000, 0.294195340000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 19 coordinates: [ 0.413313860000000, 0.469811550000000, 0.506351970000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 20 coordinates: [ 0.913313860000000, 0.469811550000000, 0.506351970000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 21 coordinates: [ 0.336686140000000, 0.969811550000000, 0.006351970000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 22 coordinates: [ 0.836686140000000, 0.969811550000000, 0.006351970000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 23 coordinates: [ 0.089144260000000, 0.848282040000000, 0.206750010000000 ] mass: 26.981539 reduced_to: 23 - symbol: Al # 24 coordinates: [ 0.589144260000000, 0.848282040000000, 0.206750010000000 ] mass: 26.981539 reduced_to: 23 - symbol: Al # 25 coordinates: [ 0.160855740000000, 0.348282040000000, 0.706750010000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 26 coordinates: [ 0.660855740000000, 0.348282040000000, 0.706750010000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 27 coordinates: [ 0.406828085000000, 0.154157810000000, 0.294195340000000 ] mass: 26.981539 reduced_to: 27 - symbol: Al # 28 coordinates: [ 0.906828085000000, 0.154157810000000, 0.294195340000000 ] mass: 26.981539 reduced_to: 27 - symbol: Al # 29 coordinates: [ 0.163313860000000, 0.030188450000000, 0.506351970000000 ] mass: 26.981539 reduced_to: 29 - symbol: Al # 30 coordinates: [ 0.663313860000000, 0.030188450000000, 0.506351970000000 ] mass: 26.981539 reduced_to: 29 - symbol: Al # 31 coordinates: [ 0.091846095000000, 0.160177010000000, 0.016037350000000 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 32 coordinates: [ 0.591846095000000, 0.160177010000000, 0.016037350000000 ] mass: 26.981539 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.488988230000000, 0.012563920000000, 0.141640110000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.988988230000000, 0.012563920000000, 0.141640110000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.171444875000000, 0.338867170000000, 0.906214320000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.671444875000000, 0.338867170000000, 0.906214320000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.010180210000000, 0.324688910000000, 0.135380610000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.510180210000000, 0.324688910000000, 0.135380610000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.239769055000000, 0.168385030000000, 0.647494700000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.739769055000000, 0.168385030000000, 0.647494700000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.421444875000000, 0.161132830000000, 0.906214320000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.921444875000000, 0.161132830000000, 0.906214320000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.171757800000000, 0.668340490000000, 0.880284550000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.671757800000000, 0.668340490000000, 0.880284550000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.489819790000000, 0.675311090000000, 0.635380610000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.989819790000000, 0.675311090000000, 0.635380610000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.078555125000000, 0.838867170000000, 0.406214320000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.578555125000000, 0.838867170000000, 0.406214320000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.489769055000000, 0.331614970000000, 0.647494700000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.989769055000000, 0.331614970000000, 0.647494700000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.260180210000000, 0.175311090000000, 0.135380610000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.760180210000000, 0.175311090000000, 0.135380610000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.261011770000000, 0.512563920000000, 0.641640110000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.761011770000000, 0.512563920000000, 0.641640110000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.328555125000000, 0.661132830000000, 0.406214320000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.828555125000000, 0.661132830000000, 0.406214320000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.328512575000000, 0.001005320000000, 0.411751060000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.828512575000000, 0.001005320000000, 0.411751060000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.260230945000000, 0.831614970000000, 0.147494700000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.760230945000000, 0.831614970000000, 0.147494700000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.010230945000000, 0.668385030000000, 0.147494700000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.510230945000000, 0.668385030000000, 0.147494700000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.011011770000000, 0.987436080000000, 0.641640110000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.511011770000000, 0.987436080000000, 0.641640110000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.078512575000000, 0.498994680000000, 0.411751060000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.578512575000000, 0.498994680000000, 0.411751060000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.078242200000000, 0.168340490000000, 0.380284550000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.578242200000000, 0.168340490000000, 0.380284550000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.239819790000000, 0.824688910000000, 0.635380610000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.739819790000000, 0.824688910000000, 0.635380610000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.328242200000000, 0.331659510000000, 0.380284550000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.828242200000000, 0.331659510000000, 0.380284550000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.238988230000000, 0.487436080000000, 0.141640110000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.738988230000000, 0.487436080000000, 0.141640110000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.421487425000000, 0.501005320000000, 0.911751060000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.921487425000000, 0.501005320000000, 0.911751060000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.171487425000000, 0.998994680000000, 0.911751060000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.671487425000000, 0.998994680000000, 0.911751060000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.421757800000000, 0.831659510000000, 0.880284550000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.921757800000000, 0.831659510000000, 0.880284550000000 ] mass: 15.999400 reduced_to: 79displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.3129682500000000, -0.0239696700000000, 0.0167611600000000 ] - [ 0.0146856900000000, 0.0000010700000000, -0.0005953400000000 ] - [ -0.0029503300000000, -0.0001697800000000, -0.0005990200000000 ] - [ 0.0025268700000000, -0.0000716900000000, 0.0003979900000000 ] - [ -0.0168160300000000, 0.0028041900000000, 0.0067249300000000 ] - [ 0.0060479300000000, -0.0012778100000000, -0.0006544500000000 ] - [ -0.0080697800000000, 0.0005860700000000, 0.0040055400000000 ] - [ 0.0058010100000000, -0.0000336500000000, -0.0006566000000000 ] - [ -0.0010131000000000, -0.0005523000000000, -0.0098579600000000 ] - [ 0.0046721200000000, 0.0005552400000000, 0.0060695300000000 ] - [ 0.0154031200000000, 0.0068541900000000, 0.0142715100000000 ] - [ 0.0155359000000000, -0.0169985200000000, -0.0202552700000000 ] - [ -0.0083327700000000, 0.0014667100000000, -0.0016963200000000 ] - [ 0.0056855700000000, 0.0002868100000000, -0.0007801800000000 ] - [ 0.0017699400000000, -0.0018736700000000, 0.0017140900000000 ] - [ -0.0000584100000000, 0.0013596100000000, -0.0035388700000000 ] - [ 0.0051840000000000, 0.0143419900000000, -0.0088466200000000 ] - [ 0.0058835900000000, -0.0070507400000000, 0.0003632100000000 ] - [ -0.0091428500000000, -0.0012438100000000, 0.0051519100000000 ] - [ 0.0061080400000000, 0.0005083500000000, -0.0008425400000000 ] - [ -0.0141261800000000, -0.0030054100000000, 0.0071408200000000 ] - [ 0.0058731900000000, 0.0016627000000000, -0.0009449200000000 ] - [ 0.0243000700000000, -0.0202772100000000, -0.0008901600000000 ] - [ 0.0244540200000000, 0.0299196400000000, 0.0033569000000000 ] - [ -0.0013271000000000, 0.0006448500000000, 0.0011380200000000 ] - [ 0.0009641400000000, -0.0010061200000000, 0.0002374400000000 ] - [ -0.0078441300000000, -0.0000121000000000, 0.0006976900000000 ] - [ 0.0045656800000000, 0.0005569100000000, -0.0018981900000000 ] - [ -0.0019119100000000, -0.0022238700000000, -0.0020165700000000 ] - [ 0.0024090000000000, 0.0026173000000000, 0.0023438900000000 ] - [ 0.0024212200000000, 0.0004207500000000, 0.0015412600000000 ] - [ 0.0017737100000000, -0.0005689300000000, -0.0020382800000000 ] - [ 0.0058073300000000, -0.0053279100000000, 0.0009830100000000 ] - [ -0.0039566500000000, 0.0012537700000000, -0.0003739900000000 ] - [ -0.0002267700000000, -0.0020372800000000, -0.0046104400000000 ] - [ -0.0011898400000000, 0.0013956300000000, 0.0013508700000000 ] - [ -0.0043953300000000, -0.0019688300000000, -0.0006120500000000 ] - [ 0.0027032000000000, 0.0067072800000000, 0.0019825300000000 ] - [ 0.0013377200000000, -0.0003956200000000, 0.0000778100000000 ] - [ -0.0014341700000000, -0.0001311900000000, 0.0000242600000000 ] - [ 0.0031360900000000, -0.0000124000000000, 0.0006442300000000 ] - [ -0.0021219800000000, -0.0005430500000000, -0.0002495400000000 ] - [ 0.0007003800000000, 0.0011323600000000, -0.0064181100000000 ] - [ -0.0041679700000000, -0.0006022900000000, 0.0051648200000000 ] - [ 0.0034194800000000, -0.0002301300000000, 0.0008421400000000 ] - [ -0.0028742500000000, -0.0000879200000000, 0.0011387400000000 ] - [ -0.0032001400000000, 0.0023228600000000, 0.0050229600000000 ] - [ -0.0024619900000000, -0.0046655900000000, -0.0081858100000000 ] - [ 0.0016168500000000, 0.0013939800000000, -0.0000949600000000 ] - [ -0.0017541200000000, -0.0004833700000000, 0.0005665100000000 ] - [ 0.0040119200000000, -0.0030577000000000, 0.0001539400000000 ] - [ -0.0028793000000000, 0.0003503200000000, 0.0001717900000000 ] - [ 0.0025741200000000, 0.0001361100000000, 0.0001186800000000 ] - [ -0.0027171000000000, 0.0001952500000000, -0.0003892900000000 ] - [ 0.0216910600000000, -0.0003456500000000, -0.0052920500000000 ] - [ -0.0052068300000000, -0.0003328100000000, 0.0000521400000000 ] - [ 0.0039921300000000, 0.0006767000000000, 0.0008334400000000 ] - [ -0.0032815300000000, -0.0000436500000000, -0.0002394900000000 ] - [ 0.0469437000000000, -0.0426300300000000, 0.0109456900000000 ] - [ -0.0096766200000000, -0.0021865700000000, 0.0016600900000000 ] - [ -0.0125253800000000, -0.0002776600000000, -0.0003322600000000 ] - [ 0.1499352600000000, 0.0126331200000000, -0.0418024800000000 ] - [ -0.0012198500000000, 0.0005054600000000, 0.0007148400000000 ] - [ 0.0014045200000000, -0.0009749800000000, -0.0007279200000000 ] - [ -0.0041956800000000, -0.0016803600000000, 0.0049383500000000 ] - [ -0.0025510200000000, 0.0027950000000000, -0.0073850900000000 ] - [ -0.0008988100000000, -0.0004553000000000, 0.0007316800000000 ] - [ -0.0001555600000000, 0.0001308400000000, -0.0009438900000000 ] - [ 0.0019647900000000, 0.0001732500000000, -0.0000205500000000 ] - [ -0.0026733700000000, 0.0001254400000000, -0.0001890700000000 ] - [ 0.0063265300000000, -0.0006703000000000, 0.0025465200000000 ] - [ -0.0038832900000000, 0.0007297100000000, -0.0004995200000000 ] - [ 0.0534209400000000, 0.0459507000000000, 0.0197175000000000 ] - [ -0.0087660400000000, 0.0034774500000000, 0.0006594100000000 ] - [ 0.0086430200000000, 0.0047016900000000, 0.0047548400000000 ] - [ -0.0038438000000000, -0.0003205600000000, -0.0015658300000000 ] - [ -0.0007835800000000, 0.0012189500000000, -0.0034535200000000 ] - [ -0.0010243000000000, -0.0011561100000000, 0.0002768800000000 ] - [ 0.0058785000000000, -0.0019528500000000, 0.0018136100000000 ] - [ -0.0029462500000000, 0.0003131500000000, -0.0003060200000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.3046917700000000, 0.0231919600000000, -0.0111298700000000 ] - [ -0.0144318400000000, -0.0003163300000000, 0.0005729100000000 ] - [ 0.0025978800000000, -0.0001458800000000, 0.0005588700000000 ] - [ -0.0028601800000000, -0.0002430900000000, -0.0004313600000000 ] - [ 0.0168640500000000, -0.0027920200000000, -0.0059715600000000 ] - [ -0.0059391300000000, 0.0011888800000000, 0.0013388300000000 ] - [ 0.0078681700000000, -0.0007102400000000, -0.0033723700000000 ] - [ -0.0059141300000000, -0.0000275400000000, 0.0013677400000000 ] - [ 0.0010128800000000, 0.0006349000000000, 0.0106026500000000 ] - [ -0.0047764200000000, -0.0004683600000000, -0.0053267000000000 ] - [ -0.0147553900000000, -0.0076895900000000, -0.0140232300000000 ] - [ -0.0148309800000000, 0.0162949500000000, 0.0205323500000000 ] - [ 0.0082333600000000, -0.0005388300000000, 0.0001672000000000 ] - [ -0.0057974600000000, 0.0006469000000000, -0.0007739500000000 ] - [ -0.0018408300000000, 0.0009590500000000, -0.0032676700000000 ] - [ -0.0000634100000000, -0.0022961600000000, 0.0019921800000000 ] - [ -0.0049984300000000, -0.0153407200000000, 0.0072576000000000 ] - [ -0.0057652400000000, 0.0060730700000000, -0.0019314200000000 ] - [ 0.0083928600000000, 0.0019992600000000, -0.0048267500000000 ] - [ -0.0067540400000000, 0.0001867700000000, 0.0012461300000000 ] - [ 0.0147075000000000, 0.0036542500000000, -0.0067071300000000 ] - [ -0.0052440000000000, -0.0009438500000000, 0.0013181100000000 ] - [ -0.0240824800000000, 0.0209628200000000, 0.0008222400000000 ] - [ -0.0239282300000000, -0.0294422900000000, -0.0034755400000000 ] - [ 0.0010121300000000, -0.0003324300000000, -0.0011609900000000 ] - [ -0.0013150200000000, 0.0013155300000000, -0.0002621400000000 ] - [ 0.0078879800000000, 0.0009417900000000, -0.0022394900000000 ] - [ -0.0044530800000000, 0.0003707300000000, 0.0003356600000000 ] - [ 0.0013253000000000, 0.0015296900000000, 0.0023990300000000 ] - [ -0.0030421900000000, -0.0033014300000000, -0.0019470800000000 ] - [ -0.0022727800000000, -0.0003501900000000, -0.0008511900000000 ] - [ -0.0016702200000000, 0.0006340400000000, 0.0027133100000000 ] - [ -0.0059077300000000, 0.0053999400000000, -0.0008508400000000 ] - [ 0.0038120600000000, -0.0011765600000000, 0.0005019000000000 ] - [ 0.0006179500000000, 0.0027947900000000, 0.0048920800000000 ] - [ 0.0016138100000000, -0.0006250100000000, -0.0010291400000000 ] - [ 0.0049009100000000, 0.0025163800000000, 0.0012505500000000 ] - [ -0.0021369100000000, -0.0061306700000000, -0.0013293500000000 ] - [ -0.0014655200000000, -0.0000987300000000, 0.0002919600000000 ] - [ 0.0013146300000000, -0.0003630600000000, 0.0003400700000000 ] - [ -0.0027070800000000, -0.0007561300000000, -0.0003237000000000 ] - [ 0.0025302900000000, -0.0002258300000000, 0.0005677800000000 ] - [ -0.0001524000000000, -0.0014461400000000, 0.0063167400000000 ] - [ 0.0047697700000000, 0.0002880500000000, -0.0053058200000000 ] - [ -0.0039187100000000, -0.0003064300000000, -0.0002047500000000 ] - [ 0.0023254000000000, -0.0004546400000000, -0.0005178800000000 ] - [ 0.0027665900000000, -0.0015799300000000, -0.0047379700000000 ] - [ 0.0020490100000000, 0.0053946800000000, 0.0084494000000000 ] - [ -0.0017212300000000, -0.0008943700000000, 0.0004557100000000 ] - [ 0.0016238500000000, 0.0009884000000000, -0.0002125600000000 ] - [ -0.0034632000000000, 0.0025146200000000, 0.0004717000000000 ] - [ 0.0034169300000000, -0.0008845200000000, 0.0004655500000000 ] - [ -0.0024731200000000, -0.0000640400000000, 0.0000356800000000 ] - [ 0.0028389700000000, -0.0001081100000000, 0.0004966500000000 ] - [ -0.0219562200000000, -0.0004520300000000, 0.0050152500000000 ] - [ 0.0047971300000000, -0.0004411600000000, 0.0002517600000000 ] - [ -0.0040899600000000, -0.0001649700000000, -0.0016144800000000 ] - [ 0.0031778700000000, 0.0005264200000000, -0.0005580700000000 ] - [ -0.0468707000000000, 0.0443878400000000, -0.0110297800000000 ] - [ 0.0098478700000000, 0.0026838100000000, -0.0012818700000000 ] - [ 0.0127715700000000, -0.0002187900000000, 0.0007332800000000 ] - [ -0.1407145000000000, -0.0121592600000000, 0.0387517500000000 ] - [ 0.0013339800000000, -0.0006004700000000, -0.0006028400000000 ] - [ -0.0012630700000000, 0.0008842600000000, 0.0008424400000000 ] - [ 0.0040966300000000, 0.0012176400000000, -0.0057791600000000 ] - [ 0.0024394600000000, -0.0032492600000000, 0.0065130800000000 ] - [ 0.0002989400000000, 0.0001446300000000, -0.0008505100000000 ] - [ -0.0004073800000000, -0.0004387100000000, 0.0008214900000000 ] - [ -0.0025350300000000, 0.0003785800000000, 0.0006820400000000 ] - [ 0.0021376400000000, 0.0004120100000000, 0.0008052200000000 ] - [ -0.0069003700000000, 0.0009383600000000, -0.0026509500000000 ] - [ 0.0032998300000000, -0.0004053800000000, 0.0003805900000000 ] - [ -0.0543027200000000, -0.0481362700000000, -0.0205048000000000 ] - [ 0.0086546200000000, -0.0035678500000000, -0.0005192300000000 ] - [ -0.0084948500000000, -0.0042124200000000, -0.0055494900000000 ] - [ 0.0039450300000000, 0.0008233500000000, 0.0007846400000000 ] - [ 0.0008604700000000, -0.0017017200000000, 0.0026292200000000 ] - [ 0.0011337100000000, 0.0006679800000000, -0.0010698900000000 ] - [ -0.0052759000000000, 0.0022647700000000, -0.0019416700000000 ] - [ 0.0035233200000000, -0.0000097200000000, 0.0001918300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0194339100000000, -0.2671102700000000, -0.0023313900000000 ] - [ 0.0003260000000000, -0.0018393200000000, 0.0004172200000000 ] - [ -0.0001561900000000, 0.0032717300000000, -0.0000675400000000 ] - [ -0.0002517900000000, 0.0014541200000000, -0.0000155700000000 ] - [ -0.0040699400000000, 0.0231486100000000, 0.0176972400000000 ] - [ 0.0012473900000000, 0.0001003800000000, 0.0010976900000000 ] - [ 0.0011302700000000, -0.0011506800000000, 0.0098881400000000 ] - [ -0.0019370800000000, -0.0007609900000000, 0.0015940600000000 ] - [ -0.0010274900000000, -0.0061024300000000, 0.0013276700000000 ] - [ 0.0000239500000000, -0.0044718100000000, 0.0003912200000000 ] - [ 0.0150635000000000, -0.0081898600000000, 0.0108553200000000 ] - [ -0.0071177800000000, -0.0067724900000000, 0.0007915100000000 ] - [ 0.0004616200000000, -0.0070963000000000, -0.0002592800000000 ] - [ 0.0000338100000000, -0.0011915700000000, -0.0007827600000000 ] - [ -0.0015183700000000, -0.0023372200000000, -0.0030193200000000 ] - [ 0.0022815300000000, -0.0010958100000000, -0.0018714300000000 ] - [ 0.0156447400000000, 0.0182827600000000, -0.0098615400000000 ] - [ -0.0047566500000000, 0.0012297700000000, -0.0018815300000000 ] - [ -0.0023812600000000, -0.0044464300000000, -0.0119193900000000 ] - [ 0.0013610700000000, -0.0004455200000000, -0.0007354400000000 ] - [ 0.0051443500000000, 0.0240937700000000, -0.0175449700000000 ] - [ -0.0004749500000000, 0.0013424400000000, -0.0005620900000000 ] - [ -0.0295325600000000, 0.0043994400000000, 0.0038248900000000 ] - [ 0.0208723900000000, 0.0043509800000000, -0.0011903300000000 ] - [ 0.0003144300000000, 0.0004535100000000, 0.0011322200000000 ] - [ -0.0013254000000000, 0.0008194800000000, 0.0001752900000000 ] - [ -0.0010145700000000, 0.0168977900000000, 0.0010422500000000 ] - [ 0.0001862600000000, 0.0040652100000000, -0.0009412100000000 ] - [ -0.0019844900000000, 0.0041657800000000, 0.0029823100000000 ] - [ 0.0005392000000000, 0.0024788700000000, 0.0007747200000000 ] - [ 0.0002278000000000, 0.0082664000000000, 0.0007489200000000 ] - [ 0.0002824400000000, 0.0069134700000000, 0.0004538900000000 ] - [ -0.0057867500000000, -0.0083469800000000, 0.0016882300000000 ] - [ 0.0041971900000000, -0.0038997300000000, 0.0003520900000000 ] - [ -0.0020846200000000, -0.0042787000000000, -0.0059165100000000 ] - [ 0.0017267400000000, -0.0000743900000000, -0.0006111400000000 ] - [ -0.0056096600000000, -0.0044118700000000, -0.0002713100000000 ] - [ 0.0067454300000000, -0.0067783600000000, -0.0017161200000000 ] - [ 0.0001275200000000, -0.0030362800000000, -0.0001116300000000 ] - [ 0.0000712100000000, -0.0012391700000000, 0.0000101800000000 ] - [ 0.0002567500000000, -0.0042326000000000, -0.0000542600000000 ] - [ 0.0002750400000000, -0.0022520000000000, -0.0000778800000000 ] - [ 0.0003532200000000, 0.0062251700000000, -0.0006053500000000 ] - [ 0.0000299600000000, 0.0013469700000000, 0.0002864400000000 ] - [ -0.0005005600000000, 0.0018352900000000, 0.0003075200000000 ] - [ -0.0001030800000000, 0.0015166800000000, 0.0002949600000000 ] - [ 0.0043286100000000, 0.0011283700000000, -0.0051162500000000 ] - [ -0.0030801800000000, 0.0006393400000000, -0.0026700300000000 ] - [ 0.0006976500000000, -0.0007791600000000, 0.0009574300000000 ] - [ -0.0006736200000000, -0.0004738400000000, 0.0003870900000000 ] - [ 0.0002305900000000, -0.0129164200000000, -0.0013018100000000 ] - [ 0.0008735100000000, -0.0026055400000000, 0.0002002600000000 ] - [ 0.0004909700000000, 0.0028025300000000, -0.0011071100000000 ] - [ 0.0006619100000000, 0.0008582900000000, 0.0005537200000000 ] - [ -0.0000616800000000, 0.0194478200000000, 0.0026381400000000 ] - [ -0.0001140700000000, 0.0012452300000000, -0.0000635500000000 ] - [ 0.0001611300000000, -0.0060468600000000, -0.0051202700000000 ] - [ 0.0002455100000000, -0.0008968600000000, -0.0004842400000000 ] - [ -0.0465596700000000, 0.1077356300000000, -0.0325757000000000 ] - [ -0.0003402200000000, 0.0008822400000000, 0.0004803800000000 ] - [ 0.0021349000000000, 0.0082567700000000, 0.0013065200000000 ] - [ 0.0068905400000000, 0.0215784300000000, 0.0023264700000000 ] - [ 0.0005282100000000, -0.0009391300000000, -0.0003759800000000 ] - [ -0.0007077000000000, -0.0012063200000000, -0.0001888300000000 ] - [ -0.0040467500000000, 0.0020613700000000, 0.0041811600000000 ] - [ 0.0031452200000000, 0.0021165800000000, 0.0022199600000000 ] - [ -0.0011560500000000, -0.0038744600000000, 0.0004507700000000 ] - [ 0.0004267500000000, -0.0039402500000000, 0.0006266700000000 ] - [ -0.0004825900000000, 0.0019505700000000, 0.0003728400000000 ] - [ -0.0008895100000000, 0.0008510200000000, -0.0002706400000000 ] - [ 0.0003525700000000, -0.0096783600000000, 0.0071617000000000 ] - [ -0.0005298100000000, -0.0004021700000000, -0.0000087800000000 ] - [ 0.0473256500000000, 0.0838983800000000, 0.0276177900000000 ] - [ -0.0004447500000000, 0.0022727400000000, -0.0001128100000000 ] - [ 0.0044486000000000, 0.0034051300000000, -0.0073432900000000 ] - [ -0.0006255000000000, 0.0014731100000000, -0.0008615600000000 ] - [ 0.0025281500000000, -0.0052687600000000, 0.0040529500000000 ] - [ -0.0009925700000000, -0.0010707900000000, -0.0000366800000000 ] - [ -0.0032807100000000, 0.0015819500000000, 0.0059053600000000 ] - [ 0.0006581800000000, 0.0008155600000000, 0.0004122800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0276820600000000, 0.2649429400000000, 0.0075271200000000 ] - [ 0.0000087000000000, 0.0015325700000000, -0.0004661200000000 ] - [ -0.0001799900000000, -0.0035916200000000, 0.0000452500000000 ] - [ -0.0000805400000000, -0.0017699800000000, -0.0000165400000000 ] - [ 0.0040905000000000, -0.0233175400000000, -0.0171955300000000 ] - [ -0.0011203100000000, -0.0001595300000000, -0.0004036900000000 ] - [ -0.0012427400000000, 0.0009541300000000, -0.0091618200000000 ] - [ 0.0018335100000000, 0.0006820500000000, -0.0009025800000000 ] - [ 0.0010069800000000, 0.0061755900000000, -0.0007145200000000 ] - [ -0.0001423700000000, 0.0045438300000000, 0.0002981900000000 ] - [ -0.0143861300000000, 0.0074976600000000, -0.0104337000000000 ] - [ 0.0077396100000000, 0.0062021700000000, -0.0003973400000000 ] - [ -0.0005779600000000, 0.0080313800000000, -0.0012712100000000 ] - [ -0.0001352900000000, 0.0021228500000000, -0.0007623700000000 ] - [ 0.0014259500000000, 0.0013978400000000, 0.0014755300000000 ] - [ -0.0023803200000000, 0.0001383200000000, 0.0003227500000000 ] - [ -0.0157343500000000, -0.0192496000000000, 0.0082672300000000 ] - [ 0.0049258500000000, -0.0021267500000000, 0.0003494500000000 ] - [ 0.0017670800000000, 0.0053113500000000, 0.0123667300000000 ] - [ -0.0019874100000000, 0.0011583900000000, 0.0011147000000000 ] - [ -0.0046005500000000, -0.0233191300000000, 0.0177979700000000 ] - [ 0.0011199100000000, -0.0006551800000000, 0.0009469800000000 ] - [ 0.0298278100000000, -0.0041201600000000, -0.0039132100000000 ] - [ -0.0203654300000000, -0.0041685900000000, 0.0011301900000000 ] - [ -0.0006628800000000, -0.0001186400000000, -0.0011502300000000 ] - [ 0.0009963200000000, -0.0004945700000000, -0.0002134800000000 ] - [ 0.0011399200000000, -0.0160134200000000, -0.0026183500000000 ] - [ -0.0000787200000000, -0.0031352600000000, -0.0006287200000000 ] - [ 0.0013001900000000, -0.0049010000000000, -0.0025706700000000 ] - [ -0.0011518900000000, -0.0032011900000000, -0.0003806000000000 ] - [ -0.0001366500000000, -0.0081981400000000, -0.0000650800000000 ] - [ -0.0001253500000000, -0.0068585100000000, 0.0001725700000000 ] - [ 0.0056148000000000, 0.0084277700000000, -0.0015270600000000 ] - [ -0.0043404300000000, 0.0040066400000000, -0.0002224000000000 ] - [ 0.0025054800000000, 0.0050224800000000, 0.0062048300000000 ] - [ -0.0013283000000000, 0.0008325800000000, 0.0009418400000000 ] - [ 0.0061125400000000, 0.0049130700000000, 0.0009132000000000 ] - [ -0.0062903600000000, 0.0073629600000000, 0.0024086600000000 ] - [ -0.0002328800000000, 0.0025375300000000, 0.0004488000000000 ] - [ -0.0002020800000000, 0.0007450300000000, 0.0003540500000000 ] - [ 0.0001698500000000, 0.0034657400000000, 0.0004000600000000 ] - [ 0.0001310800000000, 0.0014819500000000, 0.0003943900000000 ] - [ 0.0002225800000000, -0.0065298300000000, 0.0004700900000000 ] - [ 0.0005658200000000, -0.0016589700000000, -0.0004319900000000 ] - [ -0.0000126100000000, -0.0023665000000000, 0.0003542700000000 ] - [ -0.0004426500000000, -0.0020532700000000, 0.0003335100000000 ] - [ -0.0047394200000000, -0.0003305200000000, 0.0054268400000000 ] - [ 0.0026569200000000, 0.0001737700000000, 0.0029875100000000 ] - [ -0.0008310200000000, 0.0012628100000000, -0.0006017700000000 ] - [ 0.0005501000000000, 0.0009626400000000, -0.0000219800000000 ] - [ 0.0003602500000000, 0.0123954500000000, 0.0019779400000000 ] - [ -0.0003735700000000, 0.0020717000000000, 0.0004336100000000 ] - [ -0.0003687000000000, -0.0027510700000000, 0.0012471900000000 ] - [ -0.0005416700000000, -0.0007767600000000, -0.0004337600000000 ] - [ -0.0003715000000000, -0.0202462600000000, -0.0029414400000000 ] - [ -0.0003053100000000, -0.0020161100000000, 0.0003888300000000 ] - [ -0.0002423700000000, 0.0065466300000000, 0.0042554200000000 ] - [ -0.0003528100000000, 0.0013952900000000, -0.0003130800000000 ] - [ 0.0431586800000000, -0.1015849600000000, 0.0305334000000000 ] - [ 0.0004786600000000, -0.0003588500000000, -0.0001156600000000 ] - [ -0.0020188800000000, -0.0087530900000000, -0.0009415800000000 ] - [ -0.0075450200000000, -0.0221890000000000, -0.0017374800000000 ] - [ -0.0004057600000000, 0.0008574700000000, 0.0004938600000000 ] - [ 0.0008238600000000, 0.0011327000000000, 0.0003030700000000 ] - [ 0.0039443700000000, -0.0025870400000000, -0.0049809400000000 ] - [ -0.0032542400000000, -0.0026602000000000, -0.0030289200000000 ] - [ 0.0006108000000000, 0.0035672500000000, -0.0005649900000000 ] - [ -0.0010425900000000, 0.0036382000000000, -0.0007692100000000 ] - [ -0.0000646100000000, -0.0013765900000000, 0.0002761500000000 ] - [ 0.0003461200000000, -0.0003056500000000, 0.0008953900000000 ] - [ -0.0009045900000000, 0.0100894900000000, -0.0073874000000000 ] - [ -0.0000567800000000, 0.0007049200000000, -0.0001127800000000 ] - [ -0.0508739200000000, -0.0876365100000000, -0.0295428900000000 ] - [ 0.0003206000000000, -0.0023961000000000, 0.0002376300000000 ] - [ -0.0043489500000000, -0.0029778300000000, 0.0065703700000000 ] - [ 0.0007193900000000, -0.0009895200000000, 0.0000593800000000 ] - [ -0.0024264500000000, 0.0048052000000000, -0.0048792500000000 ] - [ 0.0010809100000000, 0.0005943900000000, -0.0007517000000000 ] - [ 0.0038527500000000, -0.0012426000000000, -0.0060141000000000 ] - [ -0.0000835900000000, -0.0004987100000000, -0.0005387900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0144667200000000, -0.0052701800000000, -0.2379765700000000 ] - [ -0.0004179200000000, 0.0002886300000000, -0.0038448100000000 ] - [ 0.0004052900000000, -0.0002154000000000, 0.0048371500000000 ] - [ -0.0005832800000000, -0.0001575900000000, 0.0022461600000000 ] - [ 0.0008185300000000, 0.0162073500000000, 0.0040398000000000 ] - [ 0.0001135500000000, 0.0003659800000000, 0.0006285400000000 ] - [ 0.0101067000000000, 0.0198678800000000, 0.0208907700000000 ] - [ -0.0017450200000000, 0.0000071100000000, 0.0017755600000000 ] - [ -0.0221964900000000, 0.0007175000000000, 0.0201235200000000 ] - [ 0.0056536600000000, 0.0010020300000000, 0.0032673100000000 ] - [ 0.0130843100000000, 0.0049528500000000, 0.0054042900000000 ] - [ -0.0145213100000000, 0.0044084600000000, 0.0038916700000000 ] - [ 0.0010113600000000, -0.0013251000000000, 0.0199444100000000 ] - [ -0.0002139300000000, 0.0004008300000000, 0.0029119300000000 ] - [ 0.0002531400000000, -0.0029849400000000, 0.0063978200000000 ] - [ -0.0021255600000000, 0.0001984400000000, 0.0059374100000000 ] - [ -0.0029720600000000, -0.0030030600000000, -0.0148630400000000 ] - [ 0.0012387900000000, -0.0026729000000000, -0.0078593900000000 ] - [ 0.0106829400000000, -0.0207065200000000, 0.0227016600000000 ] - [ -0.0026723600000000, 0.0000154500000000, 0.0019764900000000 ] - [ 0.0005766400000000, -0.0124490100000000, 0.0055624800000000 ] - [ 0.0001573000000000, -0.0000498000000000, 0.0006616300000000 ] - [ 0.0036619500000000, 0.0012782200000000, -0.0125377900000000 ] - [ -0.0007539800000000, -0.0037780300000000, -0.0125421200000000 ] - [ -0.0013282400000000, -0.0009956800000000, 0.0056577600000000 ] - [ -0.0004060200000000, -0.0000421200000000, 0.0040682300000000 ] - [ 0.0027593500000000, -0.0009478600000000, -0.0103695700000000 ] - [ 0.0000093700000000, 0.0004971100000000, -0.0047306600000000 ] - [ -0.0032179800000000, 0.0024084700000000, 0.0018959100000000 ] - [ 0.0008646300000000, 0.0016696000000000, 0.0020638500000000 ] - [ 0.0014658200000000, 0.0002400700000000, 0.0008026900000000 ] - [ -0.0014249500000000, 0.0003918500000000, 0.0008973900000000 ] - [ 0.0015443900000000, 0.0025536300000000, 0.0027630300000000 ] - [ -0.0015105200000000, 0.0007473400000000, 0.0012760400000000 ] - [ -0.0012811800000000, -0.0010989200000000, -0.0022816000000000 ] - [ 0.0017245800000000, -0.0004917100000000, -0.0007516500000000 ] - [ -0.0025383800000000, -0.0014774500000000, 0.0013114300000000 ] - [ 0.0025400400000000, -0.0027236300000000, 0.0041700000000000 ] - [ 0.0001626500000000, -0.0005635100000000, -0.0023252100000000 ] - [ -0.0002080900000000, -0.0004201000000000, -0.0008488100000000 ] - [ 0.0004443300000000, -0.0010327800000000, -0.0011803600000000 ] - [ -0.0000028300000000, -0.0005164700000000, -0.0008983700000000 ] - [ -0.0035486700000000, 0.0018982100000000, -0.0083699400000000 ] - [ 0.0022949300000000, 0.0006516600000000, -0.0028005300000000 ] - [ -0.0048140000000000, -0.0018303900000000, -0.0106441000000000 ] - [ 0.0007016800000000, -0.0005444300000000, -0.0026459400000000 ] - [ 0.0046831200000000, -0.0034278300000000, 0.0020640100000000 ] - [ -0.0064160400000000, -0.0026104000000000, 0.0020517200000000 ] - [ -0.0008001500000000, 0.0011880700000000, -0.0035684400000000 ] - [ 0.0004360700000000, 0.0011345000000000, -0.0015814600000000 ] - [ 0.0008735500000000, -0.0013070800000000, 0.0026037000000000 ] - [ 0.0005352400000000, -0.0003693500000000, 0.0014684800000000 ] - [ 0.0023625100000000, 0.0038852200000000, -0.0115529700000000 ] - [ -0.0007999100000000, 0.0001529200000000, -0.0020791100000000 ] - [ -0.0073480900000000, 0.0053364600000000, 0.1217631700000000 ] - [ -0.0005546300000000, -0.0007062300000000, 0.0012879000000000 ] - [ 0.0007512500000000, -0.0055706800000000, 0.0013390900000000 ] - [ -0.0001766600000000, -0.0005252200000000, 0.0002018000000000 ] - [ 0.0126884100000000, -0.0336163500000000, 0.0293502000000000 ] - [ 0.0015794400000000, 0.0014430700000000, 0.0010658000000000 ] - [ -0.0037994900000000, 0.0001228100000000, 0.0032851800000000 ] - [ -0.0428315500000000, -0.0004104900000000, 0.0299615600000000 ] - [ 0.0010292900000000, -0.0007553500000000, -0.0016479800000000 ] - [ -0.0001948200000000, -0.0007775100000000, -0.0032757400000000 ] - [ 0.0069871700000000, 0.0040848100000000, 0.0003164100000000 ] - [ -0.0085494800000000, 0.0031632600000000, 0.0002492300000000 ] - [ 0.0011594100000000, -0.0001205500000000, 0.0018592100000000 ] - [ -0.0010934500000000, -0.0001237900000000, 0.0017661900000000 ] - [ 0.0037526500000000, -0.0031013200000000, -0.0103582400000000 ] - [ -0.0012339800000000, 0.0001326200000000, -0.0015484000000000 ] - [ 0.0016905400000000, 0.0099017300000000, 0.0044053200000000 ] - [ -0.0003492000000000, 0.0012291400000000, 0.0015009300000000 ] - [ 0.0200216500000000, 0.0287193200000000, 0.0310153800000000 ] - [ 0.0015741200000000, -0.0013017100000000, 0.0015720600000000 ] - [ 0.0037754500000000, -0.0049745700000000, -0.0104131500000000 ] - [ -0.0008826700000000, 0.0000526200000000, -0.0013565400000000 ] - [ -0.0010819400000000, 0.0006190200000000, -0.0022882600000000 ] - [ 0.0008746100000000, 0.0000480500000000, -0.0011517500000000 ] - [ 0.0033210200000000, 0.0026213600000000, -0.0075108400000000 ] - [ -0.0002433700000000, 0.0003923600000000, -0.0014289400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0133749600000000, 0.0046119300000000, 0.2273126300000000 ] - [ 0.0007497800000000, -0.0005949100000000, 0.0037812100000000 ] - [ -0.0007527200000000, -0.0001025000000000, -0.0048761900000000 ] - [ 0.0002466100000000, -0.0001584800000000, -0.0022772800000000 ] - [ -0.0007874800000000, -0.0163803100000000, -0.0031902600000000 ] - [ 0.0000063400000000, -0.0004351200000000, 0.0000958000000000 ] - [ -0.0101978600000000, -0.0198705500000000, -0.0200849300000000 ] - [ 0.0016357300000000, -0.0000751900000000, -0.0010965500000000 ] - [ 0.0220320800000000, -0.0006272000000000, -0.0193277500000000 ] - [ -0.0057287100000000, -0.0009192500000000, -0.0025853600000000 ] - [ -0.0125022600000000, -0.0057223600000000, -0.0048949800000000 ] - [ 0.0152723000000000, -0.0050871700000000, -0.0033521100000000 ] - [ -0.0011328400000000, 0.0022905600000000, -0.0216760700000000 ] - [ 0.0001109200000000, 0.0005282900000000, -0.0044568800000000 ] - [ -0.0003846400000000, 0.0021144700000000, -0.0079617900000000 ] - [ 0.0020830200000000, -0.0011190400000000, -0.0074956500000000 ] - [ 0.0030979700000000, 0.0021236600000000, 0.0131841800000000 ] - [ -0.0011391700000000, 0.0017474900000000, 0.0062538700000000 ] - [ -0.0112679500000000, 0.0213006900000000, -0.0221853700000000 ] - [ 0.0020324400000000, 0.0006875700000000, -0.0016049600000000 ] - [ 0.0000084600000000, 0.0132268400000000, -0.0050457800000000 ] - [ 0.0004792800000000, 0.0007504500000000, -0.0002465200000000 ] - [ -0.0031710300000000, -0.0010420600000000, 0.0124581900000000 ] - [ 0.0009583300000000, 0.0039605500000000, 0.0124538400000000 ] - [ 0.0009710600000000, 0.0012867100000000, -0.0056923800000000 ] - [ 0.0000938200000000, 0.0003467600000000, -0.0041079400000000 ] - [ -0.0026572000000000, 0.0018639500000000, 0.0087481300000000 ] - [ 0.0001017400000000, 0.0004316500000000, 0.0031463700000000 ] - [ 0.0025698500000000, -0.0031076900000000, -0.0015293800000000 ] - [ -0.0014837100000000, -0.0023704000000000, -0.0016940200000000 ] - [ -0.0013525200000000, -0.0001713600000000, -0.0000675700000000 ] - [ 0.0015290100000000, -0.0003300100000000, -0.0001629600000000 ] - [ -0.0016460900000000, -0.0024262100000000, -0.0026559600000000 ] - [ 0.0013643400000000, -0.0006452800000000, -0.0011563800000000 ] - [ 0.0017111000000000, 0.0018799400000000, 0.0025564700000000 ] - [ -0.0013326400000000, 0.0012735600000000, 0.0010476500000000 ] - [ 0.0030350500000000, 0.0019891200000000, -0.0006889000000000 ] - [ -0.0019895500000000, 0.0032460000000000, -0.0035732700000000 ] - [ -0.0002767700000000, 0.0000704900000000, 0.0026913200000000 ] - [ 0.0000782700000000, -0.0000722400000000, 0.0012163000000000 ] - [ -0.0000273300000000, 0.0002742100000000, 0.0014695500000000 ] - [ 0.0004143500000000, -0.0002534900000000, 0.0012013800000000 ] - [ 0.0042178500000000, -0.0022295400000000, 0.0082901700000000 ] - [ -0.0017367300000000, -0.0009669300000000, 0.0026566600000000 ] - [ 0.0042781200000000, 0.0012870000000000, 0.0112986400000000 ] - [ -0.0012277400000000, 0.0000053100000000, 0.0032911500000000 ] - [ -0.0050807500000000, 0.0041813200000000, -0.0017125800000000 ] - [ 0.0059706800000000, 0.0033661600000000, -0.0016907900000000 ] - [ 0.0006713300000000, -0.0006777300000000, 0.0039497700000000 ] - [ -0.0005558000000000, -0.0006349100000000, 0.0019467500000000 ] - [ -0.0003243400000000, 0.0007605700000000, -0.0019821100000000 ] - [ -0.0000010000000000, -0.0001677400000000, -0.0008406700000000 ] - [ -0.0022354600000000, -0.0038097300000000, 0.0117086100000000 ] - [ 0.0009165900000000, -0.0000650100000000, 0.0022023800000000 ] - [ 0.0063104400000000, -0.0056094600000000, -0.1126541400000000 ] - [ 0.0001379400000000, -0.0000665300000000, -0.0009486500000000 ] - [ -0.0008473400000000, 0.0060286600000000, -0.0021087900000000 ] - [ 0.0000712500000000, 0.0010118100000000, -0.0009881200000000 ] - [ -0.0127168100000000, 0.0344271900000000, -0.0286226800000000 ] - [ -0.0014247900000000, -0.0009217600000000, -0.0007052300000000 ] - [ 0.0038732300000000, -0.0006217900000000, -0.0029290000000000 ] - [ 0.0433695600000000, -0.0000371800000000, -0.0291620200000000 ] - [ -0.0009035400000000, 0.0006638900000000, 0.0017711100000000 ] - [ 0.0003087400000000, 0.0006792700000000, 0.0034156800000000 ] - [ -0.0070538200000000, -0.0045500700000000, -0.0010895400000000 ] - [ 0.0083913100000000, -0.0036265100000000, -0.0010196700000000 ] - [ -0.0017341900000000, -0.0001916400000000, -0.0019638200000000 ] - [ 0.0005116000000000, -0.0001860100000000, -0.0018719800000000 ] - [ -0.0042998500000000, 0.0036464500000000, 0.0110286600000000 ] - [ 0.0006878600000000, 0.0004026600000000, 0.0021830800000000 ] - [ -0.0022576700000000, -0.0095291800000000, -0.0044746800000000 ] - [ -0.0002334300000000, -0.0009118800000000, -0.0016099900000000 ] - [ -0.0204652600000000, -0.0292387000000000, -0.0305740600000000 ] - [ -0.0016716400000000, 0.0011858000000000, -0.0014534900000000 ] - [ -0.0037598000000000, 0.0055909300000000, 0.0096962300000000 ] - [ 0.0009881700000000, 0.0004451700000000, 0.0005369400000000 ] - [ 0.0011860100000000, -0.0011222500000000, 0.0014534700000000 ] - [ -0.0007852300000000, -0.0005428600000000, 0.0003364400000000 ] - [ -0.0027850200000000, -0.0023776900000000, 0.0074157400000000 ] - [ 0.0008331000000000, -0.0000911500000000, 0.0012908200000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0166842900000000, -0.0042797500000000, 0.0007541200000000 ] - [ 0.0061658200000000, 0.0010336400000000, 0.0000376000000000 ] - [ -0.0081426800000000, -0.0013367400000000, -0.0101371000000000 ] - [ 0.0056929400000000, 0.0017281900000000, 0.0016657400000000 ] - [ -0.2151698000000000, -0.0270968500000000, 0.0237505000000000 ] - [ 0.0147662000000000, -0.0001827600000000, 0.0007245400000000 ] - [ -0.0047994700000000, -0.0004408300000000, -0.0012592300000000 ] - [ 0.0031636200000000, 0.0000174000000000, 0.0007840400000000 ] - [ -0.0003698600000000, -0.0012662500000000, -0.0004132500000000 ] - [ 0.0022373800000000, 0.0010540100000000, 0.0008748900000000 ] - [ 0.0260385800000000, -0.0242867500000000, -0.0023126200000000 ] - [ 0.0268163500000000, 0.0259682400000000, -0.0042277900000000 ] - [ -0.0130096200000000, 0.0039184900000000, -0.0059358100000000 ] - [ 0.0054088000000000, -0.0003967900000000, 0.0000563600000000 ] - [ 0.0019076100000000, -0.0003979000000000, 0.0017974400000000 ] - [ 0.0017091900000000, -0.0008829300000000, -0.0026429900000000 ] - [ 0.0062603500000000, 0.0013779400000000, -0.0198383100000000 ] - [ 0.0154914700000000, 0.0010583200000000, 0.0114533400000000 ] - [ -0.0072195000000000, 0.0018150800000000, -0.0010478700000000 ] - [ 0.0044936900000000, -0.0009784500000000, 0.0011933900000000 ] - [ -0.0166247400000000, 0.0006273300000000, 0.0088901200000000 ] - [ 0.0064871700000000, 0.0003388200000000, -0.0009166700000000 ] - [ 0.0019025600000000, -0.0000459000000000, -0.0014940900000000 ] - [ 0.0025157200000000, -0.0000272100000000, 0.0013931600000000 ] - [ -0.0011842100000000, -0.0008611800000000, 0.0220751200000000 ] - [ 0.0045470500000000, 0.0002412200000000, -0.0057353000000000 ] - [ -0.0213701400000000, -0.0097256300000000, 0.0067724300000000 ] - [ 0.0072134900000000, 0.0023287500000000, -0.0019445600000000 ] - [ -0.0008801200000000, 0.0011528700000000, -0.0001449300000000 ] - [ 0.0025634500000000, -0.0019842900000000, 0.0011399500000000 ] - [ 0.0280404900000000, 0.0268513200000000, -0.0051136600000000 ] - [ 0.0283122600000000, -0.0265767000000000, -0.0037150500000000 ] - [ 0.0047755800000000, 0.0056447400000000, -0.0027658000000000 ] - [ -0.0036662900000000, -0.0011006000000000, 0.0006037600000000 ] - [ 0.0285249100000000, 0.0017465800000000, 0.0064187200000000 ] - [ -0.0093585700000000, 0.0001063500000000, 0.0049781100000000 ] - [ -0.0104364300000000, -0.0017085200000000, 0.0047821600000000 ] - [ 0.0170249800000000, 0.0028450000000000, -0.0004823700000000 ] - [ 0.0049032100000000, -0.0037439500000000, -0.0025374100000000 ] - [ -0.0031694300000000, 0.0004297300000000, 0.0004676900000000 ] - [ 0.0236043700000000, -0.0015546700000000, -0.0013432600000000 ] - [ -0.0073759100000000, -0.0027270400000000, 0.0001439100000000 ] - [ 0.0036442900000000, 0.0055615500000000, -0.0034515000000000 ] - [ -0.0031429500000000, -0.0018601400000000, 0.0013225100000000 ] - [ 0.0010631400000000, -0.0012120000000000, 0.0025435800000000 ] - [ -0.0020364800000000, 0.0002508300000000, -0.0000276600000000 ] - [ -0.0006478700000000, 0.0004346100000000, 0.0007984400000000 ] - [ -0.0002910000000000, 0.0006723200000000, -0.0004839900000000 ] - [ 0.0017987800000000, -0.0001488200000000, 0.0044003100000000 ] - [ -0.0050679400000000, 0.0001313400000000, -0.0041268300000000 ] - [ 0.0305136600000000, 0.0051060600000000, -0.0022816800000000 ] - [ -0.0097714200000000, 0.0024442000000000, -0.0003783300000000 ] - [ 0.0053232500000000, 0.0023059100000000, -0.0015935800000000 ] - [ -0.0029344900000000, -0.0003669100000000, 0.0006278900000000 ] - [ 0.0034536000000000, 0.0011430600000000, 0.0024824000000000 ] - [ -0.0025622900000000, -0.0006128500000000, -0.0000688400000000 ] - [ 0.0033158600000000, -0.0009224500000000, 0.0008161600000000 ] - [ -0.0026148000000000, 0.0005734300000000, -0.0003719300000000 ] - [ 0.0036680600000000, 0.0010087600000000, -0.0000769700000000 ] - [ -0.0028444900000000, 0.0002800600000000, 0.0001681600000000 ] - [ -0.0040524200000000, 0.0015881900000000, 0.0013935600000000 ] - [ 0.0019348900000000, -0.0052776100000000, -0.0033535000000000 ] - [ -0.0012066300000000, -0.0007525900000000, -0.0004712800000000 ] - [ 0.0004230100000000, 0.0013467600000000, 0.0020571600000000 ] - [ -0.0015706100000000, 0.0005685700000000, 0.0020403800000000 ] - [ -0.0004320800000000, -0.0028862300000000, -0.0038746100000000 ] - [ -0.0014090100000000, -0.0014524600000000, 0.0021030400000000 ] - [ -0.0021582300000000, 0.0045994000000000, -0.0067439400000000 ] - [ 0.0016625000000000, 0.0003694800000000, -0.0001054300000000 ] - [ -0.0021485200000000, 0.0003576500000000, 0.0007507900000000 ] - [ 0.0080226500000000, -0.0001696400000000, 0.0023195800000000 ] - [ -0.0045610700000000, 0.0002117700000000, -0.0008046900000000 ] - [ 0.0234810700000000, -0.0019063500000000, -0.0017986500000000 ] - [ -0.0091091400000000, -0.0035772100000000, -0.0005109000000000 ] - [ 0.0381517800000000, 0.0251485000000000, -0.0159769400000000 ] - [ -0.0085102100000000, 0.0023809300000000, -0.0012179400000000 ] - [ 0.0021697700000000, -0.0058027600000000, -0.0032249100000000 ] - [ -0.0032501600000000, 0.0015334400000000, 0.0000567100000000 ] - [ 0.0031459800000000, 0.0001835300000000, 0.0003900900000000 ] - [ -0.0025566500000000, 0.0000653100000000, -0.0000756600000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0169955500000000, 0.0038813000000000, -0.0008517700000000 ] - [ -0.0058216700000000, -0.0013341200000000, -0.0000701900000000 ] - [ 0.0077949600000000, 0.0010360400000000, 0.0101672700000000 ] - [ -0.0060221600000000, -0.0020425200000000, -0.0017151200000000 ] - [ 0.2162216000000000, 0.0266918300000000, -0.0228319000000000 ] - [ -0.0146524400000000, 0.0001093300000000, -0.0000279200000000 ] - [ 0.0046949800000000, 0.0003696500000000, 0.0019532900000000 ] - [ -0.0032671100000000, -0.0000891900000000, -0.0000940400000000 ] - [ 0.0002699500000000, 0.0013368200000000, 0.0010966300000000 ] - [ -0.0023550000000000, -0.0009755000000000, -0.0001821300000000 ] - [ -0.0256094400000000, 0.0238457800000000, 0.0027168000000000 ] - [ -0.0259582000000000, -0.0263180800000000, 0.0045640000000000 ] - [ 0.0129512900000000, -0.0030232400000000, 0.0044177900000000 ] - [ -0.0055131700000000, 0.0013394900000000, -0.0016212400000000 ] - [ -0.0020078400000000, -0.0005285600000000, -0.0033637700000000 ] - [ -0.0018380100000000, -0.0000421500000000, 0.0010856600000000 ] - [ -0.0061166500000000, -0.0022976300000000, 0.0183713600000000 ] - [ -0.0153642400000000, -0.0020012100000000, -0.0129935300000000 ] - [ 0.0065815800000000, -0.0011100900000000, 0.0014300200000000 ] - [ -0.0051156900000000, 0.0016858700000000, -0.0008130500000000 ] - [ 0.0172684800000000, 0.0001637900000000, -0.0085168900000000 ] - [ -0.0058575700000000, 0.0003560900000000, 0.0012983300000000 ] - [ -0.0015416200000000, 0.0003619800000000, 0.0014591800000000 ] - [ -0.0021785200000000, 0.0003373200000000, -0.0014251900000000 ] - [ 0.0008407800000000, 0.0011732700000000, -0.0221530100000000 ] - [ -0.0049014700000000, 0.0000749000000000, 0.0056471100000000 ] - [ 0.0213798100000000, 0.0106618000000000, -0.0083483600000000 ] - [ -0.0071107300000000, -0.0014189900000000, 0.0004115200000000 ] - [ 0.0002555300000000, -0.0018589700000000, 0.0005197800000000 ] - [ -0.0032063100000000, 0.0012695300000000, -0.0007551800000000 ] - [ -0.0282076100000000, -0.0271159000000000, 0.0058286800000000 ] - [ -0.0279357900000000, 0.0262982600000000, 0.0043881700000000 ] - [ -0.0048844500000000, -0.0055251500000000, 0.0029008100000000 ] - [ 0.0035297600000000, 0.0011987600000000, -0.0004857500000000 ] - [ -0.0306809200000000, -0.0010129100000000, -0.0077020700000000 ] - [ 0.0097339300000000, 0.0006599400000000, -0.0046287200000000 ] - [ 0.0110031900000000, 0.0022571100000000, -0.0041842800000000 ] - [ -0.0144526000000000, -0.0024173000000000, 0.0023971700000000 ] - [ -0.0050434100000000, 0.0032568800000000, 0.0029132900000000 ] - [ 0.0030500600000000, -0.0009175000000000, -0.0000916800000000 ] - [ -0.0230167100000000, 0.0004778400000000, 0.0014673400000000 ] - [ 0.0077873700000000, 0.0019669800000000, 0.0001848300000000 ] - [ -0.0030809800000000, -0.0059015000000000, 0.0033362900000000 ] - [ 0.0037391200000000, 0.0015380300000000, -0.0014398000000000 ] - [ -0.0015939400000000, 0.0006793300000000, -0.0019272800000000 ] - [ 0.0014927300000000, -0.0007885500000000, 0.0006643600000000 ] - [ 0.0002272500000000, 0.0003358900000000, -0.0004798600000000 ] - [ -0.0001182100000000, 0.0000981300000000, 0.0007952000000000 ] - [ -0.0019014300000000, 0.0006482800000000, -0.0040380500000000 ] - [ 0.0049327800000000, 0.0003638600000000, 0.0044852600000000 ] - [ -0.0301774000000000, -0.0060207200000000, 0.0031882600000000 ] - [ 0.0103228700000000, -0.0029786400000000, 0.0009942400000000 ] - [ -0.0052132500000000, -0.0022208100000000, 0.0017259400000000 ] - [ 0.0030590900000000, 0.0004497200000000, -0.0004966800000000 ] - [ -0.0038650000000000, -0.0019117200000000, -0.0021564200000000 ] - [ 0.0021454500000000, -0.0001600700000000, 0.0003866100000000 ] - [ -0.0034144800000000, 0.0014092100000000, -0.0016062800000000 ] - [ 0.0025122100000000, -0.0000806100000000, -0.0004268800000000 ] - [ -0.0035437500000000, -0.0005164700000000, 0.0004413800000000 ] - [ 0.0029677500000000, 0.0002150500000000, 0.0001987100000000 ] - [ 0.0041554000000000, -0.0020862000000000, -0.0010332800000000 ] - [ -0.0017900700000000, 0.0047729900000000, 0.0037267600000000 ] - [ 0.0013266600000000, 0.0006648700000000, 0.0005978100000000 ] - [ -0.0002875700000000, -0.0014438000000000, -0.0019524700000000 ] - [ 0.0014552300000000, -0.0010612800000000, -0.0028291900000000 ] - [ 0.0003364600000000, 0.0023922200000000, 0.0030682100000000 ] - [ 0.0008124000000000, 0.0011466200000000, -0.0022261800000000 ] - [ 0.0015744400000000, -0.0049037000000000, 0.0066092600000000 ] - [ -0.0022098400000000, 0.0001666400000000, 0.0007410800000000 ] - [ 0.0016139600000000, 0.0001778800000000, -0.0001179100000000 ] - [ -0.0085850900000000, 0.0004838000000000, -0.0024299200000000 ] - [ 0.0039830000000000, 0.0000987600000000, 0.0006729000000000 ] - [ -0.0240446300000000, 0.0023226200000000, 0.0023929500000000 ] - [ 0.0089816700000000, 0.0034834100000000, 0.0006166600000000 ] - [ -0.0379701300000000, -0.0239444100000000, 0.0147058800000000 ] - [ 0.0086071900000000, -0.0019030700000000, 0.0004310600000000 ] - [ -0.0020878600000000, 0.0053310900000000, 0.0024190900000000 ] - [ 0.0033706100000000, -0.0020156700000000, -0.0008437600000000 ] - [ -0.0025690500000000, 0.0001313000000000, -0.0005121900000000 ] - [ 0.0031369100000000, 0.0002459900000000, -0.0000450300000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029365700000000, 0.0231424400000000, 0.0163777800000000 ] - [ -0.0010622500000000, -0.0000333000000000, 0.0003817800000000 ] - [ -0.0008135500000000, -0.0012031600000000, 0.0198364500000000 ] - [ -0.0001645900000000, -0.0008703300000000, 0.0000234700000000 ] - [ -0.0274897100000000, -0.2286119500000000, 0.0385006500000000 ] - [ -0.0000933800000000, -0.0013379200000000, 0.0006382800000000 ] - [ 0.0003544600000000, 0.0052611000000000, 0.0006618700000000 ] - [ -0.0001076300000000, 0.0016165300000000, 0.0003452200000000 ] - [ -0.0013556400000000, 0.0027179900000000, 0.0009189900000000 ] - [ 0.0009611100000000, 0.0005622900000000, -0.0003288800000000 ] - [ -0.0235303300000000, 0.0009166200000000, -0.0071986700000000 ] - [ 0.0286303300000000, 0.0012418200000000, 0.0071617600000000 ] - [ -0.0035461200000000, 0.0199881300000000, -0.0163633200000000 ] - [ 0.0008015500000000, 0.0009023200000000, -0.0015143800000000 ] - [ 0.0001296400000000, 0.0068738600000000, 0.0000698400000000 ] - [ -0.0006603700000000, 0.0069055400000000, -0.0006326000000000 ] - [ 0.0000936500000000, -0.0237187600000000, 0.0008240200000000 ] - [ -0.0008504900000000, -0.0015699200000000, -0.0015155900000000 ] - [ 0.0014241200000000, -0.0029439900000000, -0.0005063200000000 ] - [ -0.0015348000000000, -0.0009600500000000, 0.0005445900000000 ] - [ 0.0019262900000000, 0.0367020300000000, -0.0007628900000000 ] - [ -0.0002568600000000, 0.0017978000000000, -0.0000241300000000 ] - [ 0.0007667900000000, 0.0070457700000000, -0.0003727400000000 ] - [ -0.0001993700000000, 0.0083940800000000, -0.0002127100000000 ] - [ -0.0007540000000000, -0.0059866400000000, -0.0006531400000000 ] - [ 0.0003413800000000, -0.0043491300000000, -0.0009758400000000 ] - [ -0.0110015100000000, 0.0008082000000000, -0.0200898600000000 ] - [ 0.0016424400000000, -0.0006374900000000, -0.0007330900000000 ] - [ 0.0008375300000000, 0.0025961800000000, -0.0004989300000000 ] - [ -0.0016356900000000, 0.0004516300000000, 0.0007844000000000 ] - [ 0.0264227700000000, 0.0001558600000000, 0.0069258200000000 ] - [ -0.0268582700000000, 0.0001564600000000, -0.0071082300000000 ] - [ 0.0060601900000000, -0.0064198600000000, 0.0049899000000000 ] - [ -0.0034403600000000, -0.0015844400000000, 0.0004586100000000 ] - [ 0.0013070100000000, 0.0230255500000000, -0.0002784200000000 ] - [ -0.0005086600000000, 0.0064931700000000, -0.0003200300000000 ] - [ 0.0000830900000000, 0.0069732800000000, 0.0000358800000000 ] - [ 0.0012471900000000, 0.0225910700000000, 0.0004342900000000 ] - [ -0.0030404500000000, 0.0011323600000000, -0.0028691800000000 ] - [ 0.0005431400000000, 0.0003183000000000, 0.0000702900000000 ] - [ -0.0012098500000000, 0.0215592200000000, 0.0034855300000000 ] - [ 0.0001688000000000, 0.0011171100000000, -0.0001119900000000 ] - [ 0.0058383000000000, -0.0068417200000000, 0.0042034700000000 ] - [ -0.0044282900000000, -0.0034798500000000, 0.0013078900000000 ] - [ -0.0018388100000000, -0.0031739900000000, 0.0030909200000000 ] - [ 0.0006229000000000, -0.0011659100000000, 0.0005613900000000 ] - [ -0.0001625100000000, -0.0014057100000000, 0.0000717300000000 ] - [ -0.0001906000000000, -0.0023068500000000, -0.0000881400000000 ] - [ 0.0004675500000000, 0.0067409000000000, -0.0011291500000000 ] - [ -0.0000317600000000, 0.0016187000000000, -0.0000631000000000 ] - [ 0.0062766500000000, 0.0333971900000000, -0.0077382900000000 ] - [ 0.0006387800000000, 0.0011242900000000, 0.0006113600000000 ] - [ 0.0020156500000000, 0.0012144600000000, 0.0037621200000000 ] - [ -0.0002109200000000, 0.0006703000000000, 0.0004814800000000 ] - [ -0.0009410000000000, -0.0027948500000000, -0.0027664200000000 ] - [ 0.0003575700000000, -0.0007655000000000, 0.0000184500000000 ] - [ 0.0000618400000000, -0.0025369200000000, 0.0024761800000000 ] - [ -0.0004228200000000, -0.0004118300000000, -0.0001444800000000 ] - [ 0.0006280400000000, -0.0093744800000000, 0.0014576000000000 ] - [ 0.0000446000000000, -0.0022560300000000, 0.0007052400000000 ] - [ 0.0040810600000000, -0.0031970300000000, -0.0007908800000000 ] - [ -0.0053287100000000, -0.0080581200000000, -0.0046828300000000 ] - [ -0.0005782800000000, -0.0011103700000000, -0.0003385400000000 ] - [ 0.0016705700000000, -0.0036566900000000, -0.0034711800000000 ] - [ 0.0027657000000000, 0.0005739100000000, -0.0032594500000000 ] - [ -0.0003286700000000, 0.0013296700000000, -0.0002384000000000 ] - [ -0.0033520300000000, 0.0003229700000000, 0.0025395100000000 ] - [ 0.0004499600000000, 0.0010107100000000, 0.0002223100000000 ] - [ -0.0003203900000000, -0.0028422500000000, 0.0008456300000000 ] - [ -0.0001494100000000, -0.0011991900000000, 0.0006397800000000 ] - [ -0.0005933100000000, 0.0080276000000000, 0.0017586800000000 ] - [ -0.0001718200000000, 0.0012326500000000, 0.0001237400000000 ] - [ 0.0011116300000000, 0.0256121200000000, 0.0030868100000000 ] - [ 0.0005193800000000, 0.0021607700000000, -0.0003775700000000 ] - [ 0.0255260200000000, 0.0637123100000000, -0.0357782400000000 ] - [ 0.0002428700000000, 0.0016844100000000, -0.0003752300000000 ] - [ -0.0061228300000000, -0.0077605200000000, -0.0051914900000000 ] - [ 0.0050120500000000, -0.0036568800000000, -0.0004010900000000 ] - [ 0.0000210200000000, -0.0113544500000000, -0.0010247200000000 ] - [ 0.0002558400000000, -0.0023035300000000, -0.0005035500000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0026592400000000, -0.0233238200000000, -0.0162108300000000 ] - [ 0.0014042800000000, -0.0002930900000000, -0.0004194500000000 ] - [ 0.0004832300000000, 0.0009009300000000, -0.0199014100000000 ] - [ -0.0001704900000000, 0.0005727100000000, -0.0000592600000000 ] - [ 0.0263221200000000, 0.2280740100000000, -0.0366527900000000 ] - [ 0.0001988200000000, 0.0012660800000000, 0.0000500100000000 ] - [ -0.0004559000000000, -0.0053342100000000, 0.0000318100000000 ] - [ -0.0000010500000000, -0.0016876400000000, 0.0003428000000000 ] - [ 0.0012473200000000, -0.0026554900000000, -0.0002359200000000 ] - [ -0.0010682700000000, -0.0004991500000000, 0.0010241000000000 ] - [ 0.0240283700000000, -0.0016968600000000, 0.0075717600000000 ] - [ -0.0278573900000000, -0.0020149100000000, -0.0068070000000000 ] - [ 0.0035023700000000, -0.0189978500000000, 0.0146790200000000 ] - [ -0.0009081200000000, 0.0000147200000000, -0.0000409700000000 ] - [ -0.0002577900000000, -0.0077993000000000, -0.0016635400000000 ] - [ 0.0005632800000000, -0.0078385100000000, -0.0009347200000000 ] - [ 0.0000311900000000, 0.0227931100000000, -0.0024013900000000 ] - [ 0.0009216500000000, 0.0006283900000000, -0.0000716300000000 ] - [ -0.0020549300000000, 0.0036436600000000, 0.0008842400000000 ] - [ 0.0009039400000000, 0.0016541400000000, -0.0001624300000000 ] - [ -0.0012986100000000, -0.0363427200000000, 0.0011330600000000 ] - [ 0.0008902200000000, -0.0010768900000000, 0.0004070800000000 ] - [ -0.0004364700000000, -0.0067257500000000, 0.0003490600000000 ] - [ 0.0005715000000000, -0.0080710800000000, 0.0001986900000000 ] - [ 0.0004331200000000, 0.0062918600000000, 0.0006912200000000 ] - [ -0.0006816400000000, 0.0046667000000000, 0.0009454100000000 ] - [ 0.0111336300000000, 0.0001913800000000, 0.0186165700000000 ] - [ -0.0015429100000000, 0.0015759700000000, -0.0008241400000000 ] - [ -0.0014700000000000, -0.0032926300000000, 0.0008739900000000 ] - [ 0.0010048300000000, -0.0011479400000000, -0.0004039600000000 ] - [ -0.0264498000000000, 0.0000024900000000, -0.0062377400000000 ] - [ 0.0271063500000000, 0.0000031100000000, 0.0078121900000000 ] - [ -0.0062204600000000, 0.0065112100000000, -0.0048941200000000 ] - [ 0.0033163400000000, 0.0016624800000000, -0.0003417800000000 ] - [ -0.0006634300000000, -0.0222479400000000, 0.0007483700000000 ] - [ 0.0009205300000000, -0.0057238500000000, 0.0006195600000000 ] - [ 0.0004678200000000, -0.0064389200000000, 0.0006196300000000 ] - [ -0.0008554400000000, -0.0220450700000000, 0.0001061300000000 ] - [ 0.0029278300000000, -0.0016486600000000, 0.0032344800000000 ] - [ -0.0006662600000000, -0.0008178800000000, 0.0002960400000000 ] - [ 0.0024580900000000, -0.0239405100000000, -0.0042537600000000 ] - [ 0.0002401300000000, -0.0019044100000000, 0.0004314200000000 ] - [ -0.0052193900000000, 0.0065133400000000, -0.0042950900000000 ] - [ 0.0050146700000000, 0.0031821900000000, -0.0014231800000000 ] - [ 0.0013004700000000, 0.0026517900000000, -0.0024709700000000 ] - [ -0.0011567900000000, 0.0006348500000000, 0.0000778700000000 ] - [ -0.0002494800000000, 0.0021754400000000, 0.0002454000000000 ] - [ -0.0002271700000000, 0.0030756000000000, 0.0003880700000000 ] - [ -0.0005901500000000, -0.0062515900000000, 0.0015082400000000 ] - [ -0.0001042300000000, -0.0011238500000000, 0.0004127800000000 ] - [ -0.0066933400000000, -0.0355179900000000, 0.0096405600000000 ] - [ -0.0000823700000000, -0.0016798100000000, 0.0000181000000000 ] - [ -0.0018867600000000, -0.0011080300000000, -0.0036366200000000 ] - [ 0.0003355900000000, -0.0005768900000000, -0.0003586900000000 ] - [ 0.0005331600000000, 0.0020333300000000, 0.0030817200000000 ] - [ -0.0007721400000000, 0.0000000900000000, 0.0003004700000000 ] - [ -0.0001578500000000, 0.0030177800000000, -0.0032740500000000 ] - [ 0.0003229000000000, 0.0008972100000000, -0.0006522900000000 ] - [ -0.0004825500000000, 0.0098664600000000, -0.0011130200000000 ] - [ 0.0000633200000000, 0.0027507800000000, -0.0003370300000000 ] - [ -0.0039622000000000, 0.0027135700000000, 0.0011517200000000 ] - [ 0.0054134400000000, 0.0075390500000000, 0.0050276900000000 ] - [ 0.0007066800000000, 0.0010159600000000, 0.0004674600000000 ] - [ -0.0015448400000000, 0.0035592900000000, 0.0035887200000000 ] - [ -0.0028686600000000, -0.0010604100000000, 0.0024669100000000 ] - [ 0.0002272100000000, -0.0018072000000000, -0.0005509100000000 ] - [ 0.0027718200000000, -0.0006355400000000, -0.0026589900000000 ] - [ -0.0010288100000000, -0.0013463900000000, -0.0003293600000000 ] - [ -0.0002232700000000, 0.0033783200000000, -0.0001987300000000 ] - [ -0.0003895300000000, 0.0017370800000000, -0.0000067600000000 ] - [ -0.0000069300000000, -0.0077165400000000, -0.0018793400000000 ] - [ -0.0004075200000000, -0.0009200500000000, -0.0002445000000000 ] - [ -0.0019023500000000, -0.0247508400000000, -0.0021544200000000 ] - [ -0.0006341900000000, -0.0022284800000000, 0.0005007800000000 ] - [ -0.0235326400000000, -0.0604646600000000, 0.0326440300000000 ] - [ -0.0001495700000000, -0.0011780300000000, -0.0004232600000000 ] - [ 0.0062684700000000, 0.0072901900000000, 0.0044161000000000 ] - [ -0.0049175400000000, 0.0031627700000000, -0.0003889700000000 ] - [ 0.0005353000000000, 0.0116667000000000, 0.0009274600000000 ] - [ 0.0003384800000000, 0.0026166500000000, 0.0003823000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0064964300000000, 0.0173267100000000, 0.0035725700000000 ] - [ -0.0008261200000000, 0.0005932600000000, 0.0002417900000000 ] - [ -0.0038192700000000, 0.0092773500000000, 0.0204366500000000 ] - [ 0.0008443500000000, 0.0010939900000000, 0.0014243400000000 ] - [ 0.0234924800000000, 0.0373273000000000, -0.1765961600000000 ] - [ 0.0004293100000000, 0.0002583000000000, -0.0062104500000000 ] - [ 0.0015587300000000, 0.0002804900000000, 0.0051497600000000 ] - [ -0.0004931500000000, -0.0000350800000000, 0.0028025200000000 ] - [ 0.0006910400000000, -0.0005308700000000, 0.0059819400000000 ] - [ -0.0005779600000000, 0.0007176900000000, 0.0037056000000000 ] - [ -0.0021297200000000, -0.0074898600000000, -0.0219204500000000 ] - [ -0.0064048800000000, 0.0052651000000000, -0.0202871400000000 ] - [ 0.0033656800000000, -0.0129555500000000, 0.0092104900000000 ] - [ -0.0008777100000000, -0.0000326400000000, 0.0003300300000000 ] - [ 0.0013653600000000, -0.0010597800000000, 0.0006398400000000 ] - [ -0.0028293700000000, -0.0001262400000000, 0.0009095100000000 ] - [ -0.0192952900000000, -0.0015868500000000, 0.0182792200000000 ] - [ 0.0082233400000000, 0.0005796800000000, 0.0073666500000000 ] - [ 0.0018007600000000, 0.0021859400000000, 0.0123489500000000 ] - [ -0.0009090800000000, -0.0001887300000000, 0.0039431000000000 ] - [ 0.0091980200000000, 0.0014119400000000, -0.0201087100000000 ] - [ -0.0008055100000000, 0.0000395700000000, -0.0045840900000000 ] - [ -0.0022017100000000, 0.0000171800000000, 0.0005056900000000 ] - [ 0.0013680300000000, -0.0002490500000000, 0.0004119800000000 ] - [ 0.0099700300000000, -0.0008614100000000, 0.0196820800000000 ] - [ -0.0058437900000000, 0.0001124400000000, 0.0029180100000000 ] - [ 0.0081687100000000, -0.0185174600000000, 0.0209221700000000 ] - [ -0.0010395900000000, 0.0001807600000000, 0.0007062100000000 ] - [ 0.0005199400000000, 0.0003948600000000, 0.0065443200000000 ] - [ -0.0006306000000000, -0.0012662500000000, 0.0043708000000000 ] - [ -0.0039452000000000, 0.0075281100000000, -0.0219756200000000 ] - [ -0.0054714800000000, -0.0065123300000000, -0.0219721000000000 ] - [ -0.0026153500000000, 0.0038155900000000, 0.0057226800000000 ] - [ 0.0020095500000000, 0.0011842300000000, 0.0016878200000000 ] - [ 0.0038175100000000, 0.0001715700000000, 0.0283916900000000 ] - [ 0.0031906300000000, -0.0003851100000000, 0.0064486500000000 ] - [ 0.0047759900000000, 0.0002492800000000, 0.0068955500000000 ] - [ 0.0003739200000000, 0.0009523800000000, 0.0232914000000000 ] - [ -0.0023041800000000, -0.0034104200000000, -0.0073401000000000 ] - [ 0.0005826200000000, -0.0008080600000000, -0.0010581400000000 ] - [ -0.0001702700000000, 0.0005065400000000, 0.0260911000000000 ] - [ -0.0021431200000000, -0.0019133000000000, 0.0026615700000000 ] - [ -0.0028725200000000, 0.0034119800000000, 0.0022873000000000 ] - [ 0.0036437200000000, 0.0013023200000000, 0.0000325900000000 ] - [ 0.0007178100000000, 0.0004919900000000, -0.0036863000000000 ] - [ -0.0004341400000000, -0.0002532200000000, -0.0013991000000000 ] - [ 0.0001820600000000, 0.0004153700000000, -0.0018153500000000 ] - [ -0.0002593200000000, 0.0006459600000000, -0.0018149300000000 ] - [ 0.0020840500000000, 0.0015952000000000, -0.0070997300000000 ] - [ -0.0023959600000000, 0.0006623400000000, -0.0031996800000000 ] - [ -0.0039781900000000, -0.0097363000000000, 0.0328984600000000 ] - [ -0.0032689400000000, 0.0020809500000000, 0.0024842000000000 ] - [ -0.0011711000000000, 0.0024229900000000, -0.0074471000000000 ] - [ 0.0003546900000000, 0.0002949600000000, -0.0015116700000000 ] - [ -0.0008826500000000, -0.0023128500000000, -0.0051584700000000 ] - [ 0.0000693000000000, -0.0007744000000000, -0.0013185000000000 ] - [ -0.0000377300000000, 0.0022987600000000, -0.0047308800000000 ] - [ 0.0002015800000000, 0.0008638000000000, -0.0017990100000000 ] - [ -0.0005423100000000, -0.0005564900000000, 0.0020113900000000 ] - [ 0.0003808300000000, -0.0000626700000000, 0.0010850600000000 ] - [ 0.0037910800000000, -0.0022047900000000, 0.0008319800000000 ] - [ -0.0016206800000000, -0.0017065000000000, 0.0049604200000000 ] - [ -0.0004854900000000, -0.0005992800000000, -0.0011824300000000 ] - [ 0.0011681500000000, -0.0014806100000000, -0.0038958200000000 ] - [ 0.0021909700000000, -0.0013428800000000, -0.0048016800000000 ] - [ -0.0010658200000000, -0.0020301700000000, -0.0046766000000000 ] - [ 0.0018432000000000, 0.0011040100000000, -0.0032794200000000 ] - [ -0.0025112600000000, 0.0026202200000000, -0.0046569600000000 ] - [ -0.0005396000000000, 0.0007639600000000, -0.0022209500000000 ] - [ 0.0004976800000000, 0.0003768900000000, -0.0011611600000000 ] - [ -0.0011985500000000, -0.0011742100000000, -0.0120822000000000 ] - [ -0.0006971300000000, -0.0001120000000000, -0.0013838700000000 ] - [ -0.0021357300000000, 0.0050207700000000, 0.0254854600000000 ] - [ -0.0039054100000000, -0.0026418400000000, 0.0018434800000000 ] - [ -0.0145943200000000, -0.0329834000000000, 0.0440820900000000 ] - [ -0.0025879100000000, 0.0015096000000000, 0.0017968900000000 ] - [ -0.0010051200000000, -0.0010434600000000, 0.0058506900000000 ] - [ 0.0035651000000000, -0.0013128500000000, 0.0020848000000000 ] - [ 0.0002348800000000, 0.0004616300000000, 0.0004388700000000 ] - [ 0.0003556800000000, 0.0004429600000000, 0.0006063700000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0062004700000000, -0.0175649900000000, -0.0036588600000000 ] - [ 0.0011669800000000, -0.0009080200000000, -0.0002918200000000 ] - [ 0.0035587800000000, -0.0097732700000000, -0.0205396400000000 ] - [ -0.0011799500000000, -0.0014023400000000, -0.0014482400000000 ] - [ -0.0231498500000000, -0.0378085900000000, 0.1768986600000000 ] - [ -0.0003225600000000, -0.0003299300000000, 0.0068996900000000 ] - [ -0.0016541000000000, -0.0003495700000000, -0.0044523500000000 ] - [ 0.0003842800000000, -0.0000375100000000, -0.0021135800000000 ] - [ -0.0008194400000000, 0.0006240000000000, -0.0053045800000000 ] - [ 0.0004786000000000, -0.0006352400000000, -0.0030105300000000 ] - [ 0.0028462200000000, 0.0067346200000000, 0.0223020200000000 ] - [ 0.0069252800000000, -0.0060286200000000, 0.0206565100000000 ] - [ -0.0034301900000000, 0.0139670000000000, -0.0107189000000000 ] - [ 0.0007731000000000, 0.0009623600000000, -0.0018702500000000 ] - [ -0.0014718500000000, 0.0001275900000000, -0.0021818600000000 ] - [ 0.0027178400000000, -0.0008013600000000, -0.0024443500000000 ] - [ 0.0191744600000000, 0.0006780400000000, -0.0197521500000000 ] - [ -0.0081128100000000, -0.0015251500000000, -0.0089698600000000 ] - [ -0.0023930500000000, -0.0014054300000000, -0.0119521800000000 ] - [ 0.0002740100000000, 0.0008912800000000, -0.0035604900000000 ] - [ -0.0085612700000000, -0.0006535900000000, 0.0204814300000000 ] - [ 0.0014351300000000, 0.0006705100000000, 0.0049647000000000 ] - [ 0.0025494200000000, 0.0002983600000000, -0.0005555200000000 ] - [ -0.0010246700000000, 0.0005647400000000, -0.0004588200000000 ] - [ -0.0104911900000000, 0.0011807200000000, -0.0197693600000000 ] - [ 0.0055521800000000, 0.0002054800000000, -0.0029351700000000 ] - [ -0.0079700900000000, 0.0191960300000000, -0.0223416400000000 ] - [ 0.0011338700000000, 0.0007461600000000, -0.0022763400000000 ] - [ -0.0011725500000000, -0.0011286400000000, -0.0061809400000000 ] - [ 0.0000022200000000, 0.0005519400000000, -0.0039879500000000 ] - [ 0.0041584100000000, -0.0073923500000000, 0.0226617900000000 ] - [ 0.0054711200000000, 0.0066513400000000, 0.0226652400000000 ] - [ 0.0024876900000000, -0.0037213000000000, -0.0055966000000000 ] - [ -0.0021403300000000, -0.0010973100000000, -0.0015595200000000 ] - [ -0.0042519900000000, 0.0006088100000000, -0.0286178300000000 ] - [ -0.0027808300000000, 0.0011535400000000, -0.0061406400000000 ] - [ -0.0042251600000000, 0.0002876100000000, -0.0062596600000000 ] - [ 0.0010098900000000, -0.0004918200000000, -0.0220404000000000 ] - [ 0.0022074800000000, 0.0029465600000000, 0.0077151100000000 ] - [ -0.0007153500000000, 0.0003187000000000, 0.0014212000000000 ] - [ 0.0009240800000000, -0.0019361800000000, -0.0262713500000000 ] - [ 0.0025497100000000, 0.0011366100000000, -0.0023450100000000 ] - [ 0.0034516100000000, -0.0037219600000000, -0.0024242500000000 ] - [ -0.0030461600000000, -0.0016068500000000, -0.0001619300000000 ] - [ -0.0012618700000000, -0.0010388400000000, 0.0043016000000000 ] - [ -0.0001006400000000, -0.0002854400000000, 0.0020268400000000 ] - [ -0.0005941900000000, 0.0003552800000000, 0.0021386500000000 ] - [ -0.0001585800000000, 0.0001221300000000, 0.0021319700000000 ] - [ -0.0022572200000000, -0.0010995100000000, 0.0074769600000000 ] - [ 0.0022698300000000, -0.0001669400000000, 0.0035450200000000 ] - [ 0.0039944400000000, 0.0082667400000000, -0.0316052400000000 ] - [ 0.0038250200000000, -0.0026272200000000, -0.0018519800000000 ] - [ 0.0013145500000000, -0.0023689600000000, 0.0075712800000000 ] - [ -0.0002383300000000, -0.0002105400000000, 0.0016300800000000 ] - [ 0.0004725600000000, 0.0015236700000000, 0.0054917700000000 ] - [ -0.0004857400000000, 0.0000021900000000, 0.0016413800000000 ] - [ -0.0000646600000000, -0.0017938000000000, 0.0039449800000000 ] - [ -0.0003025200000000, -0.0003729200000000, 0.0010045800000000 ] - [ 0.0006700900000000, 0.0010476700000000, -0.0016405400000000 ] - [ -0.0002614300000000, 0.0005570600000000, -0.0007129500000000 ] - [ -0.0036807800000000, 0.0017155600000000, -0.0004622400000000 ] - [ 0.0017413400000000, 0.0012065300000000, -0.0045801600000000 ] - [ 0.0006175500000000, 0.0005136300000000, 0.0013021200000000 ] - [ -0.0010439500000000, 0.0013920200000000, 0.0039962000000000 ] - [ -0.0022784600000000, 0.0008454400000000, 0.0040190200000000 ] - [ 0.0009417600000000, 0.0015300900000000, 0.0038918900000000 ] - [ -0.0024069300000000, -0.0014056000000000, 0.0031729000000000 ] - [ 0.0019128700000000, -0.0029319400000000, 0.0045572300000000 ] - [ 0.0000014300000000, -0.0002305300000000, 0.0028462700000000 ] - [ -0.0010371100000000, 0.0001598100000000, 0.0017890700000000 ] - [ 0.0006283200000000, 0.0014826100000000, 0.0118758800000000 ] - [ 0.0001188000000000, 0.0004252900000000, 0.0012666900000000 ] - [ 0.0013917300000000, -0.0043373700000000, -0.0246578500000000 ] - [ 0.0037897500000000, 0.0025629000000000, -0.0017184200000000 ] - [ 0.0154650900000000, 0.0348916500000000, -0.0454403400000000 ] - [ 0.0026785500000000, -0.0010142700000000, -0.0025948300000000 ] - [ 0.0011064400000000, 0.0005571100000000, -0.0066513100000000 ] - [ -0.0034535400000000, 0.0008191800000000, -0.0028800400000000 ] - [ 0.0003403000000000, -0.0001437200000000, -0.0005666000000000 ] - [ 0.0002270500000000, -0.0001309300000000, -0.0007336300000000 ]- atom: 11 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0152837500000000, 0.0145795500000000, 0.0128444600000000 ] - [ 0.0153451600000000, -0.0075321000000000, -0.0148391600000000 ] - [ 0.0025465600000000, -0.0010035800000000, -0.0011947100000000 ] - [ -0.0017829500000000, 0.0014875200000000, 0.0028708500000000 ] - [ 0.0259722500000000, -0.0239650000000000, -0.0021327700000000 ] - [ 0.0263234000000000, 0.0280562700000000, -0.0063186000000000 ] - [ 0.0028229000000000, 0.0012864000000000, 0.0006636500000000 ] - [ -0.0006164300000000, -0.0011905000000000, -0.0005066300000000 ] - [ -0.0069540600000000, 0.0017781300000000, -0.0017477200000000 ] - [ 0.0047562500000000, -0.0011841200000000, 0.0009357900000000 ] - [ -0.2315882000000000, -0.0109691000000000, -0.0048470100000000 ] - [ 0.0149451000000000, -0.0005354200000000, 0.0009721200000000 ] - [ 0.0126070900000000, 0.0070690000000000, -0.0127102100000000 ] - [ 0.0125038800000000, -0.0150852800000000, 0.0179249200000000 ] - [ -0.0138292100000000, 0.0046710200000000, -0.0038518700000000 ] - [ 0.0056147200000000, -0.0014772600000000, 0.0000132900000000 ] - [ -0.0191702100000000, -0.0125538800000000, 0.0077863800000000 ] - [ 0.0063459000000000, 0.0018425200000000, -0.0026520100000000 ] - [ 0.0044406600000000, 0.0005651500000000, 0.0010988500000000 ] - [ -0.0031378600000000, 0.0004499500000000, 0.0010352800000000 ] - [ 0.0034779400000000, 0.0021509900000000, -0.0004411500000000 ] - [ 0.0034889500000000, -0.0019431500000000, -0.0004066400000000 ] - [ -0.0142746600000000, -0.0047466800000000, 0.0002495300000000 ] - [ 0.0057310900000000, 0.0009605500000000, -0.0001757000000000 ] - [ -0.0089490600000000, -0.0019044500000000, -0.0109631700000000 ] - [ 0.0062697800000000, 0.0018311100000000, 0.0023283800000000 ] - [ 0.0036190400000000, -0.0016709000000000, 0.0001675800000000 ] - [ 0.0021643400000000, 0.0037360400000000, -0.0052513900000000 ] - [ -0.0052190600000000, -0.0005391800000000, -0.0017817300000000 ] - [ 0.0028277000000000, -0.0003325200000000, 0.0007063100000000 ] - [ -0.0168917500000000, -0.0015364900000000, 0.0092203400000000 ] - [ 0.0062261700000000, 0.0006040600000000, -0.0007754100000000 ] - [ -0.0029690000000000, 0.0001124600000000, -0.0002388000000000 ] - [ 0.0022699200000000, -0.0001429000000000, 0.0003219800000000 ] - [ 0.0202580500000000, 0.0052705400000000, 0.0023748600000000 ] - [ -0.0083269900000000, -0.0020075600000000, -0.0001094900000000 ] - [ 0.0161066100000000, -0.0129671000000000, 0.0099615500000000 ] - [ -0.0070453500000000, 0.0016860700000000, -0.0005015300000000 ] - [ 0.0007931600000000, 0.0015618000000000, 0.0029268400000000 ] - [ -0.0016086200000000, -0.0008900800000000, -0.0006955200000000 ] - [ -0.0029023500000000, 0.0009134800000000, 0.0004974500000000 ] - [ 0.0028561200000000, -0.0049877600000000, -0.0015116400000000 ] - [ 0.0400383300000000, 0.0219998400000000, -0.0233138800000000 ] - [ -0.0082974200000000, 0.0025318100000000, -0.0009035200000000 ] - [ -0.0036677300000000, -0.0007808000000000, 0.0007698200000000 ] - [ 0.0053566200000000, 0.0016865700000000, -0.0014570300000000 ] - [ 0.0035732900000000, 0.0020508900000000, 0.0031533000000000 ] - [ -0.0025854800000000, 0.0001702200000000, 0.0000793000000000 ] - [ -0.0030598300000000, 0.0004938300000000, 0.0001361300000000 ] - [ 0.0044465800000000, -0.0014096700000000, -0.0014398000000000 ] - [ 0.0017652900000000, 0.0054798100000000, -0.0014923500000000 ] - [ -0.0028335100000000, -0.0016366700000000, 0.0007027600000000 ] - [ -0.0001885300000000, 0.0004825900000000, 0.0047836700000000 ] - [ -0.0034541800000000, 0.0003334400000000, -0.0042434800000000 ] - [ -0.0015218100000000, -0.0028729700000000, -0.0032811600000000 ] - [ -0.0011935200000000, 0.0001342100000000, 0.0025059800000000 ] - [ -0.0001249300000000, 0.0002986400000000, -0.0005731000000000 ] - [ -0.0005127900000000, 0.0002714300000000, 0.0002008300000000 ] - [ 0.0031131100000000, -0.0051149300000000, -0.0023023600000000 ] - [ -0.0043707500000000, 0.0022399400000000, 0.0011627000000000 ] - [ 0.0283687300000000, -0.0078783900000000, -0.0123210600000000 ] - [ -0.0068962000000000, -0.0024684600000000, -0.0000833500000000 ] - [ 0.0026407900000000, 0.0000599100000000, -0.0002888400000000 ] - [ -0.0019982500000000, -0.0000705100000000, 0.0004616600000000 ] - [ 0.0059514200000000, -0.0006478000000000, -0.0011096500000000 ] - [ -0.0037552600000000, -0.0003560900000000, -0.0001590300000000 ] - [ 0.0037109700000000, -0.0012652900000000, 0.0028558300000000 ] - [ -0.0028574800000000, 0.0000187800000000, -0.0004463300000000 ] - [ 0.0001985300000000, -0.0021144300000000, 0.0042336500000000 ] - [ -0.0020613300000000, 0.0011776800000000, -0.0004679400000000 ] - [ -0.0027946900000000, 0.0034443200000000, -0.0046025500000000 ] - [ -0.0009303000000000, -0.0003920800000000, 0.0015565900000000 ] - [ 0.0263154800000000, 0.0012459800000000, 0.0039304800000000 ] - [ -0.0098245200000000, -0.0016625300000000, 0.0048969400000000 ] - [ -0.0110026800000000, 0.0001537900000000, 0.0021239900000000 ] - [ 0.0680030300000000, 0.0091134900000000, 0.0273079200000000 ] - [ 0.0036338800000000, -0.0010001700000000, -0.0004969000000000 ] - [ -0.0030922700000000, -0.0000158400000000, -0.0008425400000000 ] - [ -0.0038857800000000, -0.0015604300000000, 0.0009171500000000 ] - [ 0.0034624800000000, 0.0064122800000000, -0.0032014200000000 ]- atom: 11 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0148747500000000, -0.0148704700000000, -0.0127433800000000 ] - [ -0.0150220600000000, 0.0073256700000000, 0.0149541500000000 ] - [ -0.0029049200000000, 0.0006877000000000, 0.0011535800000000 ] - [ 0.0014534200000000, -0.0017968200000000, -0.0029168400000000 ] - [ -0.0256757800000000, 0.0235960300000000, 0.0028426900000000 ] - [ -0.0264508000000000, -0.0284335500000000, 0.0070113200000000 ] - [ -0.0029471100000000, -0.0013538900000000, 0.0000303900000000 ] - [ 0.0005191100000000, 0.0011170700000000, 0.0011851400000000 ] - [ 0.0068467300000000, -0.0017008700000000, 0.0024450400000000 ] - [ -0.0048531600000000, 0.0012545000000000, -0.0002477500000000 ] - [ 0.2351531800000000, 0.0108698400000000, 0.0069826300000000 ] - [ -0.0142892500000000, -0.0001677100000000, -0.0005791100000000 ] - [ -0.0127231200000000, -0.0060499700000000, 0.0110365600000000 ] - [ -0.0126812700000000, 0.0160358700000000, -0.0196057300000000 ] - [ 0.0137796200000000, -0.0056523700000000, 0.0023245600000000 ] - [ -0.0057198100000000, 0.0005602900000000, -0.0015796700000000 ] - [ 0.0192096600000000, 0.0116356500000000, -0.0093596000000000 ] - [ -0.0062436300000000, -0.0027921800000000, 0.0011234500000000 ] - [ -0.0050858700000000, 0.0001389400000000, -0.0007233200000000 ] - [ 0.0025126600000000, 0.0002584200000000, -0.0006604900000000 ] - [ -0.0028605000000000, -0.0014356700000000, 0.0008038300000000 ] - [ -0.0028492900000000, 0.0026586300000000, 0.0008075500000000 ] - [ 0.0145588400000000, 0.0049993500000000, -0.0003187300000000 ] - [ -0.0053862300000000, -0.0006345200000000, 0.0001455300000000 ] - [ 0.0085857600000000, 0.0022436300000000, 0.0109870400000000 ] - [ -0.0065924000000000, -0.0015172800000000, -0.0023764400000000 ] - [ -0.0035268500000000, 0.0025999800000000, -0.0017100500000000 ] - [ -0.0020399500000000, -0.0027919700000000, 0.0036742700000000 ] - [ 0.0045908500000000, -0.0001718300000000, 0.0021654600000000 ] - [ -0.0034556800000000, -0.0003726400000000, -0.0003276400000000 ] - [ 0.0170012600000000, 0.0016885400000000, -0.0085390700000000 ] - [ -0.0061184800000000, -0.0005428900000000, 0.0014652500000000 ] - [ 0.0028433400000000, -0.0000247600000000, 0.0003606300000000 ] - [ -0.0023963100000000, 0.0002319600000000, -0.0002054200000000 ] - [ -0.0196274500000000, -0.0047486200000000, -0.0021807000000000 ] - [ 0.0087181600000000, 0.0027808200000000, 0.0004402600000000 ] - [ -0.0157606000000000, 0.0134527600000000, -0.0092961500000000 ] - [ 0.0075912900000000, -0.0011339700000000, 0.0011211200000000 ] - [ -0.0009098900000000, -0.0020661600000000, -0.0025738000000000 ] - [ 0.0014819900000000, 0.0003956600000000, 0.0010654700000000 ] - [ 0.0033339200000000, -0.0016788200000000, -0.0001715600000000 ] - [ -0.0024537800000000, 0.0042307500000000, 0.0018239600000000 ] - [ -0.0392457300000000, -0.0214897600000000, 0.0223812700000000 ] - [ 0.0088715600000000, -0.0028508600000000, 0.0007979000000000 ] - [ 0.0031334300000000, 0.0002397400000000, -0.0001291300000000 ] - [ -0.0059139300000000, -0.0022290200000000, 0.0021015800000000 ] - [ -0.0039804600000000, -0.0012742100000000, -0.0028228800000000 ] - [ 0.0021691900000000, 0.0005972800000000, 0.0002351200000000 ] - [ 0.0029427000000000, 0.0000061200000000, 0.0002397400000000 ] - [ -0.0045842200000000, 0.0019062700000000, 0.0018117300000000 ] - [ -0.0012118200000000, -0.0060012200000000, 0.0021358000000000 ] - [ 0.0033528900000000, 0.0011073100000000, -0.0000794400000000 ] - [ 0.0003333400000000, -0.0003990100000000, -0.0046674800000000 ] - [ 0.0035654200000000, -0.0002408300000000, 0.0043583100000000 ] - [ 0.0011125100000000, 0.0021036700000000, 0.0035919900000000 ] - [ 0.0007592000000000, -0.0009083300000000, -0.0021775200000000 ] - [ 0.0000322200000000, 0.0001918200000000, -0.0002338000000000 ] - [ 0.0004049600000000, 0.0002186200000000, -0.0009952500000000 ] - [ -0.0029642600000000, 0.0055775200000000, 0.0026622900000000 ] - [ 0.0044742800000000, -0.0017486200000000, -0.0008047500000000 ] - [ -0.0283690200000000, 0.0077126200000000, 0.0130850100000000 ] - [ 0.0070186000000000, 0.0019611000000000, 0.0004331700000000 ] - [ -0.0025263700000000, -0.0001490300000000, 0.0004188700000000 ] - [ 0.0021262800000000, -0.0000193700000000, -0.0003362600000000 ] - [ -0.0060430200000000, 0.0001577800000000, 0.0003194300000000 ] - [ 0.0036551900000000, -0.0001337300000000, -0.0006438800000000 ] - [ -0.0042863700000000, 0.0009523400000000, -0.0029744500000000 ] - [ 0.0022771000000000, -0.0003278100000000, 0.0003207400000000 ] - [ -0.0007222200000000, 0.0026682100000000, -0.0036379100000000 ] - [ 0.0015176500000000, -0.0006421200000000, 0.0011085400000000 ] - [ 0.0022189800000000, -0.0031421400000000, 0.0044869100000000 ] - [ 0.0003364600000000, 0.0007094600000000, -0.0016792000000000 ] - [ -0.0247560800000000, -0.0016758300000000, -0.0024731200000000 ] - [ 0.0097311400000000, 0.0015849300000000, -0.0048043900000000 ] - [ 0.0110342500000000, 0.0003402800000000, -0.0029022600000000 ] - [ -0.0724335800000000, -0.0093808600000000, -0.0307759500000000 ] - [ -0.0035314200000000, 0.0005142500000000, -0.0002899900000000 ] - [ 0.0031956600000000, -0.0004763500000000, 0.0000461300000000 ] - [ 0.0044800800000000, 0.0018622300000000, -0.0010305500000000 ] - [ -0.0029054200000000, -0.0061475600000000, 0.0030892200000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0074329200000000, -0.0080626700000000, 0.0053148100000000 ] - [ -0.0164567100000000, -0.0066537700000000, 0.0047246800000000 ] - [ -0.0031293000000000, 0.0026858000000000, 0.0019988400000000 ] - [ 0.0017047000000000, 0.0043856700000000, 0.0027222100000000 ] - [ -0.0239610700000000, 0.0013129600000000, -0.0067510900000000 ] - [ 0.0261028100000000, 0.0016419200000000, 0.0059733700000000 ] - [ 0.0015690400000000, 0.0007593400000000, -0.0005604600000000 ] - [ -0.0015577200000000, 0.0029004000000000, 0.0010990200000000 ] - [ 0.0014108800000000, -0.0032570300000000, -0.0014475500000000 ] - [ -0.0013844400000000, -0.0012769100000000, 0.0008850100000000 ] - [ -0.0113547100000000, -0.1690772200000000, -0.0013385800000000 ] - [ 0.0001333500000000, -0.0024220100000000, 0.0000966500000000 ] - [ 0.0144672200000000, -0.0046820100000000, -0.0081906400000000 ] - [ -0.0075345600000000, -0.0062424800000000, -0.0038969800000000 ] - [ -0.0020312500000000, 0.0195683000000000, -0.0146072100000000 ] - [ 0.0005524000000000, 0.0002022300000000, -0.0012292800000000 ] - [ -0.0100628300000000, -0.0020896000000000, -0.0182248900000000 ] - [ 0.0015058100000000, -0.0019248000000000, -0.0012929600000000 ] - [ -0.0001040400000000, -0.0017232300000000, -0.0003435000000000 ] - [ -0.0002204000000000, -0.0060420500000000, 0.0006777400000000 ] - [ 0.0026364100000000, 0.0108637500000000, -0.0002154100000000 ] - [ -0.0014995600000000, 0.0108639700000000, 0.0010445800000000 ] - [ 0.0034653700000000, 0.0238996200000000, 0.0129117600000000 ] - [ -0.0011316900000000, 0.0011493100000000, 0.0003826700000000 ] - [ -0.0017878400000000, -0.0047015700000000, 0.0209724700000000 ] - [ -0.0000063700000000, -0.0006370100000000, 0.0003216000000000 ] - [ -0.0022166300000000, 0.0023996100000000, -0.0028200300000000 ] - [ 0.0063230400000000, 0.0117217800000000, -0.0086453300000000 ] - [ -0.0001259200000000, 0.0064354300000000, 0.0000663100000000 ] - [ -0.0003381200000000, 0.0016572100000000, 0.0000961100000000 ] - [ -0.0001634500000000, 0.0363832500000000, -0.0006859400000000 ] - [ 0.0000591800000000, 0.0014829300000000, 0.0006586100000000 ] - [ 0.0001026700000000, -0.0028604700000000, 0.0003400400000000 ] - [ 0.0005177000000000, -0.0121618400000000, -0.0000735900000000 ] - [ 0.0040054400000000, 0.0126014800000000, -0.0029563500000000 ] - [ -0.0000033800000000, 0.0013744500000000, -0.0003399000000000 ] - [ -0.0113297000000000, -0.0129933500000000, 0.0176337000000000 ] - [ 0.0013855200000000, 0.0009566600000000, 0.0005912900000000 ] - [ 0.0013010000000000, -0.0045094400000000, -0.0042040500000000 ] - [ -0.0007729900000000, -0.0012267600000000, -0.0003296200000000 ] - [ 0.0041631400000000, -0.0038064400000000, -0.0000055000000000 ] - [ -0.0044405800000000, -0.0072187500000000, -0.0034014900000000 ] - [ 0.0219696600000000, 0.0512510800000000, -0.0318959400000000 ] - [ 0.0000061700000000, 0.0020336200000000, -0.0003167100000000 ] - [ -0.0009699000000000, 0.0005217600000000, 0.0008562000000000 ] - [ 0.0023534700000000, 0.0016771600000000, 0.0035944600000000 ] - [ -0.0008788800000000, -0.0031787100000000, -0.0035434900000000 ] - [ 0.0003816400000000, -0.0001422400000000, 0.0000574500000000 ] - [ 0.0004674100000000, 0.0010467700000000, -0.0003131100000000 ] - [ -0.0026031300000000, 0.0014219100000000, -0.0036334900000000 ] - [ 0.0064070500000000, -0.0062016800000000, 0.0044866300000000 ] - [ -0.0046505900000000, -0.0031101400000000, -0.0001051200000000 ] - [ -0.0008315800000000, 0.0067964100000000, 0.0021042900000000 ] - [ 0.0000021700000000, 0.0019335200000000, -0.0008347500000000 ] - [ -0.0006953400000000, 0.0018301000000000, 0.0007324100000000 ] - [ 0.0033570200000000, 0.0009133300000000, -0.0031709100000000 ] - [ -0.0001350900000000, -0.0026074600000000, -0.0000151600000000 ] - [ -0.0000019400000000, -0.0019248400000000, -0.0000042900000000 ] - [ -0.0061939800000000, -0.0050798700000000, -0.0020312300000000 ] - [ 0.0052127100000000, -0.0029914400000000, -0.0001115800000000 ] - [ -0.0076858500000000, 0.0338242700000000, 0.0206427400000000 ] - [ 0.0001191600000000, 0.0018466700000000, 0.0003420600000000 ] - [ 0.0000780100000000, -0.0037092100000000, 0.0005567800000000 ] - [ 0.0000818200000000, -0.0015178600000000, 0.0001995000000000 ] - [ -0.0006913700000000, 0.0049993000000000, 0.0006988100000000 ] - [ -0.0000002200000000, 0.0010678800000000, -0.0000873000000000 ] - [ 0.0013242800000000, -0.0049355200000000, 0.0050277900000000 ] - [ -0.0006313300000000, -0.0010049400000000, 0.0003577900000000 ] - [ -0.0024699900000000, -0.0030333300000000, 0.0052969500000000 ] - [ 0.0010089400000000, -0.0003025300000000, 0.0006561900000000 ] - [ 0.0005375400000000, 0.0012049100000000, 0.0012216300000000 ] - [ -0.0031779300000000, 0.0020217300000000, 0.0027531300000000 ] - [ -0.0025692300000000, 0.0221792500000000, -0.0016135800000000 ] - [ -0.0000992000000000, 0.0040947000000000, 0.0009010900000000 ] - [ 0.0007592200000000, 0.0064122100000000, -0.0018992700000000 ] - [ 0.0103395200000000, 0.0242386900000000, 0.0016185700000000 ] - [ -0.0001372200000000, -0.0116202800000000, -0.0016171100000000 ] - [ 0.0004266100000000, -0.0030430900000000, -0.0009953400000000 ] - [ -0.0045651000000000, -0.0026889800000000, 0.0004520600000000 ] - [ 0.0069301100000000, -0.0058998000000000, 0.0026807200000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0071093800000000, 0.0076259100000000, -0.0053599700000000 ] - [ 0.0168367500000000, 0.0063204700000000, -0.0047712200000000 ] - [ 0.0027892600000000, -0.0029940300000000, -0.0020410000000000 ] - [ -0.0020489800000000, -0.0046814000000000, -0.0027941700000000 ] - [ 0.0241696400000000, -0.0013006800000000, 0.0074732200000000 ] - [ -0.0261813400000000, -0.0016151400000000, -0.0053205100000000 ] - [ -0.0016845800000000, -0.0008403100000000, 0.0012575000000000 ] - [ 0.0014540500000000, -0.0029884300000000, -0.0004247500000000 ] - [ -0.0015142400000000, 0.0033304900000000, 0.0021429700000000 ] - [ 0.0012799800000000, 0.0013371600000000, -0.0001949800000000 ] - [ 0.0104707900000000, 0.1677246900000000, 0.0026006500000000 ] - [ 0.0005009100000000, 0.0017117400000000, 0.0002804600000000 ] - [ -0.0145962300000000, 0.0056105800000000, 0.0066378400000000 ] - [ 0.0074358200000000, 0.0070482200000000, 0.0023466800000000 ] - [ 0.0020055400000000, -0.0204524700000000, 0.0128895900000000 ] - [ -0.0006641500000000, -0.0011457800000000, -0.0003300300000000 ] - [ 0.0102428300000000, 0.0012508800000000, 0.0167377400000000 ] - [ -0.0014150200000000, 0.0010107400000000, -0.0002665800000000 ] - [ -0.0005300700000000, 0.0024299300000000, 0.0007178200000000 ] - [ -0.0004120800000000, 0.0067641300000000, -0.0002901200000000 ] - [ -0.0019652400000000, -0.0101448500000000, 0.0005639800000000 ] - [ 0.0020868700000000, -0.0101447900000000, -0.0006185400000000 ] - [ -0.0031941500000000, -0.0235135700000000, -0.0127649600000000 ] - [ 0.0014747600000000, -0.0008480800000000, -0.0004174900000000 ] - [ 0.0014556500000000, 0.0050552700000000, -0.0210338400000000 ] - [ -0.0003276600000000, 0.0009672000000000, -0.0003509200000000 ] - [ 0.0023329900000000, -0.0014512400000000, 0.0012842400000000 ] - [ -0.0062401400000000, -0.0108190100000000, 0.0071165700000000 ] - [ -0.0004931200000000, -0.0071569900000000, 0.0003202400000000 ] - [ -0.0002979500000000, -0.0023641300000000, 0.0002822300000000 ] - [ 0.0003003000000000, -0.0366614500000000, 0.0013795700000000 ] - [ 0.0000417900000000, -0.0013916500000000, 0.0000277400000000 ] - [ -0.0002417600000000, 0.0029470000000000, -0.0002171400000000 ] - [ -0.0006280600000000, 0.0122471600000000, 0.0001703700000000 ] - [ -0.0029259400000000, -0.0132440900000000, 0.0025377000000000 ] - [ 0.0004052000000000, -0.0006272300000000, 0.0006586100000000 ] - [ 0.0117801700000000, 0.0130621200000000, -0.0168924000000000 ] - [ -0.0008380700000000, -0.0004393400000000, 0.0000423200000000 ] - [ -0.0014268500000000, 0.0040068000000000, 0.0045644300000000 ] - [ 0.0006567900000000, 0.0007259600000000, 0.0007000300000000 ] - [ -0.0037523100000000, 0.0030269000000000, 0.0003322600000000 ] - [ 0.0048887600000000, 0.0064473000000000, 0.0037426600000000 ] - [ -0.0199371200000000, -0.0500901300000000, 0.0297979600000000 ] - [ 0.0005672100000000, -0.0023212800000000, 0.0001890400000000 ] - [ 0.0004342700000000, -0.0010549800000000, -0.0002247100000000 ] - [ -0.0028979300000000, -0.0021944300000000, -0.0029592000000000 ] - [ 0.0004764000000000, 0.0039683800000000, 0.0038678800000000 ] - [ -0.0007953400000000, 0.0009169900000000, 0.0002588000000000 ] - [ -0.0005887500000000, -0.0005574900000000, 0.0006812500000000 ] - [ 0.0024863400000000, -0.0009493500000000, 0.0040069300000000 ] - [ -0.0059108000000000, 0.0056567700000000, -0.0038780200000000 ] - [ 0.0052125800000000, 0.0025696600000000, 0.0007338000000000 ] - [ 0.0009552100000000, -0.0067161100000000, -0.0019742400000000 ] - [ 0.0001119800000000, -0.0018453700000000, 0.0009413300000000 ] - [ 0.0002832700000000, -0.0025865400000000, -0.0004110600000000 ] - [ -0.0037829200000000, -0.0016845600000000, 0.0035013000000000 ] - [ 0.0000353900000000, 0.0031010200000000, -0.0007986200000000 ] - [ -0.0000961500000000, 0.0024191200000000, -0.0007938900000000 ] - [ 0.0062655900000000, 0.0055662700000000, 0.0023639000000000 ] - [ -0.0050943700000000, 0.0035027600000000, 0.0004629900000000 ] - [ 0.0069608600000000, -0.0331919100000000, -0.0187663300000000 ] - [ 0.0000067100000000, -0.0023227000000000, 0.0000281100000000 ] - [ 0.0000365100000000, 0.0036236700000000, -0.0004135200000000 ] - [ 0.0000451100000000, 0.0014310500000000, -0.0000744700000000 ] - [ 0.0005756400000000, -0.0054973400000000, -0.0014888300000000 ] - [ -0.0001007000000000, -0.0015591700000000, -0.0007074700000000 ] - [ -0.0019098500000000, 0.0046311800000000, -0.0051696900000000 ] - [ 0.0000559400000000, 0.0006893100000000, -0.0004810500000000 ] - [ 0.0019373900000000, 0.0036023600000000, -0.0047054400000000 ] - [ -0.0015412000000000, 0.0008481100000000, -0.0000135000000000 ] - [ -0.0011130500000000, -0.0009163200000000, -0.0013323300000000 ] - [ 0.0026115500000000, -0.0017191400000000, -0.0028896500000000 ] - [ 0.0023590600000000, -0.0222609800000000, 0.0016654600000000 ] - [ -0.0000396800000000, -0.0041963400000000, -0.0007553900000000 ] - [ -0.0006514700000000, -0.0059293200000000, 0.0010878700000000 ] - [ -0.0098584500000000, -0.0236267200000000, -0.0021898700000000 ] - [ 0.0002172600000000, 0.0111153000000000, 0.0008392900000000 ] - [ -0.0003062100000000, 0.0025528800000000, 0.0001996400000000 ] - [ 0.0051486400000000, 0.0030179800000000, -0.0005601300000000 ] - [ -0.0062804700000000, 0.0061813500000000, -0.0027569200000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0143477100000000, 0.0104832500000000, 0.0051201100000000 ] - [ -0.0202458800000000, 0.0004678500000000, 0.0035927000000000 ] - [ -0.0023181200000000, 0.0004208400000000, 0.0018660900000000 ] - [ 0.0020317800000000, 0.0026086100000000, 0.0017035700000000 ] - [ -0.0025024500000000, -0.0073922100000000, -0.0217777500000000 ] - [ -0.0042974900000000, 0.0069906500000000, -0.0201454500000000 ] - [ -0.0010005400000000, 0.0005619800000000, 0.0045261700000000 ] - [ 0.0002724500000000, -0.0007120400000000, 0.0066991300000000 ] - [ 0.0012016300000000, 0.0007559600000000, 0.0124943700000000 ] - [ -0.0010582300000000, -0.0003182500000000, 0.0040970700000000 ] - [ -0.0058130100000000, -0.0037310900000000, -0.1962150700000000 ] - [ 0.0010942900000000, -0.0004444400000000, -0.0060852000000000 ] - [ -0.0174818900000000, -0.0013448700000000, 0.0076114400000000 ] - [ 0.0129306100000000, -0.0079334600000000, 0.0085095900000000 ] - [ 0.0050095200000000, -0.0170086700000000, 0.0086076800000000 ] - [ -0.0011329600000000, -0.0014021800000000, 0.0002526100000000 ] - [ 0.0068962800000000, -0.0174181700000000, 0.0210424900000000 ] - [ -0.0011404200000000, -0.0002968700000000, 0.0003069100000000 ] - [ -0.0012154200000000, 0.0008797700000000, 0.0063647800000000 ] - [ -0.0011907600000000, -0.0001321200000000, 0.0098884600000000 ] - [ -0.0002920500000000, -0.0004802400000000, -0.0085548100000000 ] - [ -0.0003059500000000, 0.0007399600000000, -0.0085429900000000 ] - [ 0.0070735500000000, 0.0178542500000000, 0.0052776400000000 ] - [ -0.0009606600000000, 0.0009107300000000, 0.0004318100000000 ] - [ -0.0051037000000000, 0.0121983700000000, 0.0223676000000000 ] - [ 0.0008757800000000, 0.0010843100000000, 0.0017808500000000 ] - [ 0.0011342700000000, -0.0012151400000000, 0.0001276900000000 ] - [ -0.0046576800000000, -0.0038117200000000, 0.0059772100000000 ] - [ 0.0016634400000000, -0.0004807800000000, 0.0062702300000000 ] - [ -0.0008339500000000, -0.0004466900000000, 0.0030243600000000 ] - [ 0.0087582600000000, 0.0010129700000000, -0.0199598200000000 ] - [ -0.0010546700000000, 0.0002534600000000, -0.0044322500000000 ] - [ -0.0005156600000000, -0.0002504600000000, 0.0013432800000000 ] - [ 0.0002530600000000, -0.0003282100000000, 0.0027289600000000 ] - [ 0.0042470900000000, -0.0067956400000000, 0.0210075300000000 ] - [ -0.0025019800000000, -0.0016583900000000, 0.0021557800000000 ] - [ 0.0085188100000000, 0.0175422500000000, 0.0086231400000000 ] - [ -0.0018243500000000, 0.0015020700000000, 0.0024496900000000 ] - [ 0.0006653300000000, -0.0022341100000000, -0.0034274100000000 ] - [ -0.0005639000000000, -0.0009226500000000, -0.0010082200000000 ] - [ 0.0025945100000000, -0.0015145900000000, 0.0024480200000000 ] - [ -0.0007551900000000, -0.0022993200000000, 0.0058116000000000 ] - [ -0.0210910100000000, -0.0306062100000000, 0.0459918300000000 ] - [ -0.0024507500000000, 0.0014088400000000, 0.0004171000000000 ] - [ 0.0007088800000000, -0.0001689700000000, -0.0019692700000000 ] - [ -0.0021332500000000, 0.0007782300000000, -0.0080448200000000 ] - [ -0.0012084000000000, -0.0014050600000000, -0.0070853500000000 ] - [ 0.0001069300000000, 0.0002305000000000, -0.0015619800000000 ] - [ 0.0005408000000000, 0.0001284600000000, -0.0010075000000000 ] - [ -0.0023006200000000, -0.0013012100000000, -0.0056939800000000 ] - [ -0.0009480800000000, 0.0036593500000000, 0.0065572400000000 ] - [ 0.0038769000000000, 0.0007844900000000, 0.0028091300000000 ] - [ 0.0028978900000000, -0.0008564700000000, -0.0087576800000000 ] - [ -0.0016183500000000, 0.0002177700000000, -0.0032367800000000 ] - [ -0.0015532300000000, -0.0017508500000000, -0.0058089700000000 ] - [ 0.0021413500000000, -0.0006523800000000, -0.0056536500000000 ] - [ -0.0001385900000000, 0.0007850000000000, -0.0027451500000000 ] - [ 0.0008004500000000, 0.0004577900000000, -0.0024952300000000 ] - [ -0.0045319600000000, -0.0052891800000000, 0.0047325600000000 ] - [ 0.0051634700000000, -0.0023130800000000, 0.0015129200000000 ] - [ -0.0136416900000000, 0.0222724000000000, 0.0399325400000000 ] - [ -0.0023328800000000, -0.0013821500000000, 0.0016626500000000 ] - [ -0.0004221400000000, 0.0002563700000000, -0.0025954100000000 ] - [ 0.0005633300000000, 0.0001181900000000, -0.0012982500000000 ] - [ 0.0009077300000000, -0.0009936900000000, -0.0107806000000000 ] - [ -0.0000766300000000, -0.0005427500000000, -0.0020460800000000 ] - [ -0.0014203300000000, 0.0020534100000000, -0.0044049500000000 ] - [ -0.0002095800000000, 0.0003129100000000, -0.0009836400000000 ] - [ 0.0012755100000000, 0.0028031400000000, -0.0065843600000000 ] - [ -0.0005922100000000, 0.0008243400000000, -0.0017825600000000 ] - [ -0.0025643700000000, 0.0018166000000000, -0.0043545600000000 ] - [ 0.0015265400000000, 0.0001448600000000, -0.0029162900000000 ] - [ 0.0049296400000000, 0.0011044800000000, 0.0254815600000000 ] - [ 0.0014657600000000, 0.0005630800000000, 0.0052615100000000 ] - [ 0.0041361300000000, -0.0013655900000000, 0.0059572500000000 ] - [ 0.0260068800000000, 0.0009124600000000, 0.0367775000000000 ] - [ 0.0001591900000000, 0.0023183100000000, 0.0038768100000000 ] - [ 0.0003241100000000, 0.0003575500000000, 0.0016137200000000 ] - [ 0.0048485900000000, 0.0028642500000000, 0.0009271900000000 ] - [ -0.0039474600000000, 0.0057598500000000, 0.0039359800000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0139467100000000, -0.0108058800000000, -0.0051802700000000 ] - [ 0.0205416600000000, -0.0007213100000000, -0.0036527200000000 ] - [ 0.0019725700000000, -0.0007345500000000, -0.0018926400000000 ] - [ -0.0023838500000000, -0.0029439600000000, -0.0017222300000000 ] - [ 0.0025273300000000, 0.0073784100000000, 0.0224448300000000 ] - [ 0.0044944500000000, -0.0069787400000000, 0.0207981400000000 ] - [ 0.0008941100000000, -0.0006263300000000, -0.0038326600000000 ] - [ -0.0003929600000000, 0.0006609500000000, -0.0060258200000000 ] - [ -0.0012768100000000, -0.0006352700000000, -0.0118064800000000 ] - [ 0.0009476200000000, 0.0003889200000000, -0.0034066900000000 ] - [ 0.0059301900000000, 0.0002047600000000, 0.1959563200000000 ] - [ -0.0004567100000000, -0.0002603000000000, 0.0064577300000000 ] - [ 0.0174271100000000, 0.0023325300000000, -0.0091483100000000 ] - [ -0.0131321400000000, 0.0088685300000000, -0.0100201200000000 ] - [ -0.0050725300000000, 0.0161538900000000, -0.0101415900000000 ] - [ 0.0010284100000000, 0.0004698000000000, -0.0017945100000000 ] - [ -0.0066891900000000, 0.0162852800000000, -0.0224537900000000 ] - [ 0.0012352500000000, -0.0006334500000000, -0.0018714700000000 ] - [ 0.0006063600000000, -0.0001820400000000, -0.0059983700000000 ] - [ 0.0005051500000000, 0.0008352900000000, -0.0095123900000000 ] - [ 0.0009218600000000, 0.0011820800000000, 0.0089176500000000 ] - [ 0.0009388600000000, -0.0000397400000000, 0.0089294700000000 ] - [ -0.0067746900000000, -0.0174884900000000, -0.0053324300000000 ] - [ 0.0013021300000000, -0.0005983600000000, -0.0004773500000000 ] - [ 0.0048754300000000, -0.0120887600000000, -0.0225204000000000 ] - [ -0.0012129000000000, -0.0007658900000000, -0.0018012700000000 ] - [ -0.0010279700000000, 0.0021457700000000, -0.0016867900000000 ] - [ 0.0047701000000000, 0.0047434500000000, -0.0075558200000000 ] - [ -0.0022838400000000, -0.0002262700000000, -0.0058869400000000 ] - [ 0.0001994100000000, -0.0002599800000000, -0.0026461500000000 ] - [ -0.0086487200000000, -0.0008831900000000, 0.0206302900000000 ] - [ 0.0011604000000000, -0.0001777700000000, 0.0051165200000000 ] - [ 0.0003876200000000, 0.0003395100000000, -0.0012159000000000 ] - [ -0.0003733600000000, 0.0004217500000000, -0.0026085800000000 ] - [ -0.0036673800000000, 0.0072487000000000, -0.0210120000000000 ] - [ 0.0028975600000000, 0.0024149700000000, -0.0018387900000000 ] - [ -0.0080350100000000, -0.0171307200000000, -0.0076732100000000 ] - [ 0.0023672000000000, -0.0009684200000000, -0.0018129300000000 ] - [ -0.0007924400000000, 0.0017362200000000, 0.0037746200000000 ] - [ 0.0004483000000000, 0.0004297300000000, 0.0013726900000000 ] - [ -0.0021721100000000, 0.0007393300000000, -0.0021268800000000 ] - [ 0.0011708100000000, 0.0015256400000000, -0.0054949200000000 ] - [ 0.0230127100000000, 0.0321544500000000, -0.0474710500000000 ] - [ 0.0030162300000000, -0.0017078900000000, -0.0005465400000000 ] - [ -0.0012552200000000, -0.0003740600000000, 0.0025964600000000 ] - [ 0.0016134000000000, -0.0013467400000000, 0.0086884800000000 ] - [ 0.0008001400000000, 0.0021651000000000, 0.0074203300000000 ] - [ -0.0005221500000000, 0.0005379100000000, 0.0018817100000000 ] - [ -0.0006666600000000, 0.0003709200000000, 0.0013708700000000 ] - [ 0.0021989500000000, 0.0018309400000000, 0.0060621000000000 ] - [ 0.0014810000000000, -0.0041864200000000, -0.0059227900000000 ] - [ -0.0033364100000000, -0.0013202000000000, -0.0021732500000000 ] - [ -0.0028076300000000, 0.0009442700000000, 0.0088876400000000 ] - [ 0.0017507000000000, -0.0001279600000000, 0.0033440900000000 ] - [ 0.0011244500000000, 0.0009756200000000, 0.0061361000000000 ] - [ -0.0025489200000000, -0.0001273200000000, 0.0059889400000000 ] - [ 0.0000380900000000, -0.0002959200000000, 0.0019454000000000 ] - [ -0.0009000100000000, 0.0000317500000000, 0.0017029300000000 ] - [ 0.0046466200000000, 0.0057722900000000, -0.0043474300000000 ] - [ -0.0050505100000000, 0.0028109000000000, -0.0011456300000000 ] - [ 0.0126892500000000, -0.0210816800000000, -0.0380460200000000 ] - [ 0.0024575800000000, 0.0008914600000000, -0.0012915800000000 ] - [ 0.0005433600000000, -0.0003474100000000, 0.0027144500000000 ] - [ -0.0004368100000000, -0.0002076000000000, 0.0014186000000000 ] - [ -0.0010063600000000, 0.0005046700000000, 0.0099435700000000 ] - [ -0.0000243100000000, 0.0000544600000000, 0.0012533100000000 ] - [ 0.0008461900000000, -0.0023607900000000, 0.0042988200000000 ] - [ -0.0003680500000000, -0.0006241700000000, 0.0008637200000000 ] - [ -0.0018182200000000, -0.0022638900000000, 0.0071812500000000 ] - [ 0.0000605600000000, -0.0002901200000000, 0.0024102200000000 ] - [ 0.0019770100000000, -0.0015077100000000, 0.0042522700000000 ] - [ -0.0020956800000000, 0.0001775500000000, 0.0028051300000000 ] - [ -0.0040073000000000, -0.0013992800000000, -0.0245128200000000 ] - [ -0.0015887800000000, -0.0006538800000000, -0.0051232500000000 ] - [ -0.0040387800000000, 0.0018565700000000, -0.0067564500000000 ] - [ -0.0269939900000000, -0.0005551400000000, -0.0378699400000000 ] - [ -0.0000604900000000, -0.0028093600000000, -0.0046664400000000 ] - [ -0.0002203100000000, -0.0008461600000000, -0.0024105800000000 ] - [ -0.0042568500000000, -0.0025469700000000, -0.0010491400000000 ] - [ 0.0045366500000000, -0.0054542800000000, -0.0040813000000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0081084800000000, 0.0003613400000000, 0.0010333300000000 ] - [ 0.0059150900000000, -0.0000727100000000, -0.0001770500000000 ] - [ -0.0080426800000000, 0.0009149700000000, -0.0027159000000000 ] - [ 0.0043402600000000, -0.0002894200000000, 0.0000256200000000 ] - [ -0.0128982900000000, -0.0035354200000000, 0.0037252500000000 ] - [ 0.0055132700000000, 0.0008119600000000, -0.0004753100000000 ] - [ -0.0214480800000000, 0.0110221900000000, -0.0076989200000000 ] - [ 0.0071121000000000, -0.0016198500000000, 0.0014224100000000 ] - [ 0.0061504100000000, 0.0000571600000000, 0.0195293200000000 ] - [ 0.0153695300000000, -0.0008426700000000, -0.0078438400000000 ] - [ 0.0129421800000000, 0.0141736500000000, -0.0172171100000000 ] - [ 0.0128956900000000, -0.0078931000000000, 0.0132920000000000 ] - [ -0.2079547500000000, -0.0125599800000000, -0.0081292300000000 ] - [ 0.0147417400000000, 0.0003548800000000, -0.0014106000000000 ] - [ 0.0255218800000000, -0.0272396500000000, 0.0036599600000000 ] - [ 0.0257260200000000, 0.0233681100000000, 0.0012891800000000 ] - [ -0.0005830800000000, 0.0008342700000000, 0.0000425700000000 ] - [ 0.0029307600000000, -0.0018834400000000, -0.0012024300000000 ] - [ -0.0195391300000000, -0.0097985600000000, -0.0065857200000000 ] - [ 0.0059853000000000, 0.0018056200000000, 0.0013677200000000 ] - [ -0.0134644500000000, 0.0023493900000000, 0.0052109300000000 ] - [ 0.0059829600000000, -0.0002480500000000, -0.0008858500000000 ] - [ 0.0001747800000000, -0.0021748700000000, -0.0021210400000000 ] - [ 0.0019655000000000, 0.0016328500000000, 0.0003007100000000 ] - [ 0.0049458100000000, 0.0158214300000000, 0.0029848800000000 ] - [ 0.0056560300000000, -0.0047041500000000, -0.0012118400000000 ] - [ -0.0048403200000000, 0.0004244400000000, 0.0010190600000000 ] - [ 0.0032677300000000, 0.0004404200000000, -0.0011732000000000 ] - [ 0.0017891600000000, -0.0066387100000000, 0.0049080000000000 ] - [ 0.0032510000000000, 0.0019247500000000, -0.0008962000000000 ] - [ 0.0018265600000000, 0.0006461700000000, -0.0024215900000000 ] - [ 0.0019956200000000, -0.0001571600000000, 0.0017668100000000 ] - [ 0.0009946800000000, -0.0014516900000000, -0.0022717900000000 ] - [ -0.0017025500000000, 0.0007608500000000, 0.0005399900000000 ] - [ 0.0030705500000000, -0.0062261000000000, 0.0040525700000000 ] - [ -0.0032626000000000, 0.0020588200000000, -0.0007344100000000 ] - [ -0.0010924000000000, -0.0006061900000000, 0.0013071000000000 ] - [ -0.0004255300000000, 0.0025896700000000, -0.0027262900000000 ] - [ 0.0027715200000000, -0.0011230700000000, 0.0003958300000000 ] - [ -0.0028728300000000, -0.0001788300000000, 0.0001519900000000 ] - [ 0.0029427100000000, -0.0011662400000000, -0.0006959800000000 ] - [ -0.0025065100000000, -0.0003987700000000, 0.0005671500000000 ] - [ 0.0676349500000000, -0.0042474600000000, -0.0245555100000000 ] - [ -0.0111373100000000, 0.0000735600000000, -0.0021614500000000 ] - [ 0.0104336600000000, -0.0023190900000000, 0.0116589700000000 ] - [ -0.0090598000000000, -0.0003744400000000, -0.0040142500000000 ] - [ -0.0020181500000000, 0.0010502800000000, -0.0027843300000000 ] - [ -0.0023838800000000, -0.0036483200000000, 0.0056257700000000 ] - [ 0.0037037700000000, 0.0039074300000000, 0.0023777500000000 ] - [ -0.0036269500000000, -0.0012064400000000, -0.0006460700000000 ] - [ 0.0034437300000000, -0.0005871900000000, 0.0008835500000000 ] - [ -0.0022357300000000, -0.0000717100000000, -0.0002180100000000 ] - [ 0.0210609800000000, 0.0009639000000000, -0.0030456800000000 ] - [ -0.0063341000000000, 0.0011349600000000, 0.0011223100000000 ] - [ 0.0082670600000000, 0.0003040800000000, -0.0005412500000000 ] - [ -0.0043505100000000, -0.0004054100000000, 0.0001774200000000 ] - [ 0.0047293500000000, 0.0022718800000000, -0.0036158000000000 ] - [ -0.0028437900000000, -0.0000621000000000, 0.0000548300000000 ] - [ 0.0053874700000000, 0.0018026800000000, 0.0011759800000000 ] - [ -0.0032835300000000, 0.0001675000000000, 0.0001742200000000 ] - [ -0.0043990900000000, -0.0000581700000000, 0.0045611300000000 ] - [ 0.0005863600000000, -0.0014142700000000, -0.0041172900000000 ] - [ -0.0036811000000000, 0.0018203700000000, -0.0004952900000000 ] - [ 0.0011870100000000, -0.0054889500000000, 0.0027301000000000 ] - [ -0.0013183000000000, -0.0012935800000000, -0.0027155700000000 ] - [ -0.0021991000000000, 0.0040669000000000, 0.0047283800000000 ] - [ -0.0007609400000000, 0.0000086900000000, -0.0005965500000000 ] - [ -0.0002426700000000, -0.0002277700000000, 0.0000993700000000 ] - [ 0.0081651300000000, 0.0134946100000000, -0.0154856000000000 ] - [ -0.0082353900000000, -0.0016321100000000, 0.0019186400000000 ] - [ 0.0030794100000000, -0.0012785700000000, -0.0017266700000000 ] - [ -0.0028124300000000, 0.0004161500000000, -0.0002276700000000 ] - [ 0.0059729100000000, -0.0024282200000000, 0.0018358100000000 ] - [ -0.0032612200000000, 0.0003447700000000, -0.0003209000000000 ] - [ 0.0357229000000000, -0.0206303500000000, 0.0177362400000000 ] - [ -0.0086332300000000, -0.0023884300000000, 0.0004228300000000 ] - [ 0.0035636700000000, 0.0052865400000000, 0.0023692900000000 ] - [ -0.0033963500000000, -0.0018304700000000, -0.0015800300000000 ] - [ 0.0349410500000000, 0.0203968600000000, 0.0081161600000000 ] - [ -0.0087030100000000, 0.0025375800000000, 0.0010811400000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0084567700000000, -0.0006780600000000, -0.0011105500000000 ] - [ -0.0055684700000000, -0.0002416500000000, 0.0001481500000000 ] - [ 0.0076885600000000, -0.0012391800000000, 0.0027009500000000 ] - [ -0.0046786100000000, -0.0000244700000000, -0.0000661200000000 ] - [ 0.0130622500000000, 0.0035136400000000, -0.0030701300000000 ] - [ -0.0054088000000000, -0.0008976500000000, 0.0011756900000000 ] - [ 0.0213012200000000, -0.0111125500000000, 0.0084381900000000 ] - [ -0.0072122400000000, 0.0015655800000000, -0.0007507200000000 ] - [ -0.0062268400000000, -0.0000051100000000, -0.0189389300000000 ] - [ -0.0154862500000000, 0.0009293500000000, 0.0084922500000000 ] - [ -0.0123878800000000, -0.0148903400000000, 0.0176927100000000 ] - [ -0.0122895900000000, 0.0070781400000000, -0.0127707500000000 ] - [ 0.2121760200000000, 0.0128478900000000, 0.0041574700000000 ] - [ -0.0147959300000000, 0.0005728300000000, -0.0001707600000000 ] - [ -0.0258423300000000, 0.0265654000000000, -0.0052175800000000 ] - [ -0.0256383400000000, -0.0239453600000000, -0.0028454800000000 ] - [ 0.0006919700000000, -0.0017614200000000, -0.0015899300000000 ] - [ -0.0028466800000000, 0.0009444700000000, -0.0003586200000000 ] - [ 0.0188406000000000, 0.0105071400000000, 0.0069982700000000 ] - [ -0.0066044500000000, -0.0011149900000000, -0.0010079800000000 ] - [ 0.0141442500000000, -0.0016878800000000, -0.0048710400000000 ] - [ -0.0053515400000000, 0.0009688000000000, 0.0012760200000000 ] - [ 0.0001696100000000, 0.0024870600000000, 0.0020873100000000 ] - [ -0.0016459400000000, -0.0013115700000000, -0.0003366000000000 ] - [ -0.0052373200000000, -0.0155567400000000, -0.0030842500000000 ] - [ -0.0059925700000000, 0.0049784300000000, 0.0011669700000000 ] - [ 0.0049499900000000, 0.0005100200000000, -0.0025821200000000 ] - [ -0.0031631800000000, 0.0004893900000000, -0.0003815300000000 ] - [ -0.0024153900000000, 0.0059245000000000, -0.0045199500000000 ] - [ -0.0038948400000000, -0.0026248100000000, 0.0012659400000000 ] - [ -0.0017208700000000, -0.0005774000000000, 0.0031261500000000 ] - [ -0.0019200300000000, 0.0002302300000000, -0.0010697300000000 ] - [ -0.0011121900000000, 0.0015468700000000, 0.0024112300000000 ] - [ 0.0015757800000000, -0.0006727500000000, -0.0004205600000000 ] - [ -0.0026751500000000, 0.0070316300000000, -0.0037424500000000 ] - [ 0.0036954000000000, -0.0012751800000000, 0.0010410500000000 ] - [ 0.0016275800000000, 0.0011445900000000, -0.0006828200000000 ] - [ 0.0009907700000000, -0.0020757300000000, 0.0033941400000000 ] - [ -0.0028981400000000, 0.0006187600000000, -0.0000270300000000 ] - [ 0.0027525900000000, -0.0003140500000000, 0.0002174100000000 ] - [ -0.0025282700000000, 0.0004045000000000, 0.0010152100000000 ] - [ 0.0029238600000000, -0.0003708100000000, -0.0002500500000000 ] - [ -0.0719246600000000, 0.0042780500000000, 0.0269589900000000 ] - [ 0.0116208000000000, -0.0003918300000000, 0.0020152000000000 ] - [ -0.0099823800000000, 0.0018798300000000, -0.0118150700000000 ] - [ 0.0085342900000000, -0.0001660900000000, 0.0046794500000000 ] - [ 0.0015872300000000, -0.0002840600000000, 0.0030949100000000 ] - [ 0.0019770800000000, 0.0044282300000000, -0.0053162200000000 ] - [ -0.0038043200000000, -0.0033948800000000, -0.0020128400000000 ] - [ 0.0034914100000000, 0.0017041000000000, 0.0010187300000000 ] - [ -0.0029163900000000, 0.0000503500000000, -0.0002557800000000 ] - [ 0.0027813200000000, -0.0004645800000000, 0.0008471100000000 ] - [ -0.0211530000000000, -0.0010826600000000, 0.0029462800000000 ] - [ 0.0064544200000000, -0.0010347500000000, -0.0009778900000000 ] - [ -0.0086641300000000, -0.0010675100000000, 0.0008694800000000 ] - [ 0.0039366500000000, -0.0003641800000000, 0.0001538700000000 ] - [ -0.0048322200000000, -0.0017887300000000, 0.0028247400000000 ] - [ 0.0027420300000000, 0.0005474900000000, -0.0008475600000000 ] - [ -0.0052826500000000, -0.0013094700000000, -0.0008099400000000 ] - [ 0.0034100500000000, 0.0003209300000000, 0.0001829700000000 ] - [ 0.0045092000000000, -0.0004390300000000, -0.0041855200000000 ] - [ -0.0004370500000000, 0.0009272600000000, 0.0044897100000000 ] - [ 0.0037900000000000, -0.0019125000000000, 0.0006274700000000 ] - [ -0.0010434600000000, 0.0053892800000000, -0.0026214800000000 ] - [ 0.0011947700000000, 0.0008093500000000, 0.0019117200000000 ] - [ 0.0021018500000000, -0.0045570900000000, -0.0055177900000000 ] - [ 0.0001761100000000, -0.0003213900000000, 0.0004728300000000 ] - [ -0.0003298800000000, -0.0000851100000000, -0.0002129300000000 ] - [ -0.0089152200000000, -0.0129216300000000, 0.0161077700000000 ] - [ 0.0076992000000000, 0.0021570200000000, -0.0012611700000000 ] - [ -0.0036564800000000, 0.0015866400000000, 0.0015974600000000 ] - [ 0.0022319200000000, -0.0001010600000000, 0.0001073700000000 ] - [ -0.0061201200000000, 0.0023453400000000, -0.0017202800000000 ] - [ 0.0031437000000000, -0.0004233100000000, 0.0004328600000000 ] - [ -0.0355611100000000, 0.0204538200000000, -0.0179644200000000 ] - [ 0.0087189300000000, 0.0028842300000000, -0.0012343200000000 ] - [ -0.0034777100000000, -0.0058016100000000, -0.0031736500000000 ] - [ 0.0035182000000000, 0.0013283000000000, 0.0007806400000000 ] - [ -0.0342824200000000, -0.0194277800000000, -0.0079205700000000 ] - [ 0.0092586900000000, -0.0022325200000000, -0.0012115700000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011725000000000, -0.0077225500000000, -0.0018430500000000 ] - [ -0.0000094600000000, -0.0018138500000000, -0.0000835100000000 ] - [ 0.0003096600000000, 0.0162923600000000, -0.0014257000000000 ] - [ -0.0002656200000000, 0.0034427400000000, 0.0000127600000000 ] - [ 0.0035565500000000, 0.0194358500000000, -0.0130468400000000 ] - [ -0.0008185700000000, 0.0004139500000000, -0.0001514100000000 ] - [ 0.0101737200000000, 0.0002349900000000, -0.0185629500000000 ] - [ -0.0019328200000000, -0.0011478800000000, 0.0000635500000000 ] - [ 0.0017941600000000, -0.0232392900000000, 0.0014990000000000 ] - [ 0.0014560900000000, -0.0010566400000000, -0.0006946700000000 ] - [ 0.0068771800000000, -0.0054510900000000, -0.0016529600000000 ] - [ -0.0152563400000000, -0.0069917700000000, -0.0082131300000000 ] - [ -0.0145108300000000, -0.2036691300000000, -0.0094802400000000 ] - [ -0.0001587100000000, -0.0011412800000000, -0.0006239500000000 ] - [ -0.0237973200000000, 0.0016740700000000, 0.0046443200000000 ] - [ 0.0269020500000000, 0.0016836600000000, -0.0076843900000000 ] - [ 0.0013497100000000, 0.0027197000000000, -0.0003023900000000 ] - [ -0.0013662200000000, -0.0001589900000000, -0.0020695900000000 ] - [ -0.0124067300000000, -0.0012811500000000, 0.0170040600000000 ] - [ 0.0020016800000000, -0.0011097900000000, 0.0000208600000000 ] - [ -0.0048154600000000, 0.0203997800000000, 0.0168361200000000 ] - [ 0.0013311100000000, 0.0010201900000000, 0.0011256400000000 ] - [ -0.0016604300000000, -0.0004691100000000, -0.0006811800000000 ] - [ 0.0015849500000000, -0.0017111500000000, 0.0025294300000000 ] - [ 0.0146035500000000, 0.0188954600000000, 0.0024843500000000 ] - [ -0.0067058800000000, 0.0018454000000000, 0.0021965200000000 ] - [ 0.0001013200000000, 0.0061628700000000, -0.0013428100000000 ] - [ 0.0000722700000000, 0.0023985800000000, -0.0010418400000000 ] - [ -0.0035854300000000, 0.0109161700000000, -0.0040964400000000 ] - [ 0.0018285100000000, 0.0015641900000000, -0.0015006900000000 ] - [ 0.0004590200000000, 0.0074030900000000, 0.0000283700000000 ] - [ -0.0000100000000000, 0.0073718100000000, 0.0009466800000000 ] - [ -0.0011487700000000, -0.0041605100000000, -0.0033599400000000 ] - [ 0.0009633400000000, -0.0011301000000000, -0.0003043100000000 ] - [ -0.0059672700000000, -0.0052642400000000, 0.0040298700000000 ] - [ 0.0050047400000000, -0.0025475200000000, 0.0006560000000000 ] - [ -0.0012543300000000, -0.0008482600000000, 0.0010826100000000 ] - [ 0.0028888300000000, -0.0054137900000000, 0.0051635400000000 ] - [ -0.0000390700000000, -0.0089477900000000, -0.0011920800000000 ] - [ 0.0003117900000000, -0.0027446700000000, -0.0002426300000000 ] - [ 0.0002542800000000, -0.0117462300000000, -0.0003283000000000 ] - [ 0.0000911600000000, -0.0028205000000000, 0.0001026100000000 ] - [ -0.0034647600000000, 0.0239033900000000, -0.0017967200000000 ] - [ -0.0005367300000000, 0.0066677300000000, -0.0012565400000000 ] - [ -0.0018649900000000, 0.0195767200000000, 0.0035696300000000 ] - [ 0.0006474200000000, 0.0039893900000000, 0.0006973700000000 ] - [ 0.0036567100000000, 0.0011070100000000, 0.0044144200000000 ] - [ -0.0005173500000000, 0.0016444200000000, 0.0009464800000000 ] - [ 0.0043308900000000, -0.0055462200000000, -0.0022455100000000 ] - [ -0.0031485800000000, -0.0020436900000000, -0.0001098500000000 ] - [ 0.0002678600000000, -0.0041464100000000, 0.0002790000000000 ] - [ 0.0006357600000000, -0.0020409800000000, 0.0002161800000000 ] - [ -0.0014084000000000, 0.0195870800000000, -0.0035674700000000 ] - [ 0.0003382600000000, 0.0017069900000000, -0.0002351800000000 ] - [ 0.0005617300000000, 0.0065311400000000, -0.0002838200000000 ] - [ -0.0002595900000000, 0.0008114300000000, 0.0004382300000000 ] - [ -0.0013869400000000, -0.0037067400000000, 0.0032867800000000 ] - [ 0.0004710800000000, -0.0005496500000000, -0.0000451000000000 ] - [ 0.0024706200000000, 0.0021203300000000, -0.0039830800000000 ] - [ -0.0001212400000000, 0.0010598200000000, -0.0002749200000000 ] - [ 0.0002806500000000, 0.0015099100000000, 0.0002918800000000 ] - [ 0.0013470100000000, 0.0073527300000000, 0.0024171500000000 ] - [ 0.0038917000000000, -0.0028857100000000, 0.0000603200000000 ] - [ -0.0042564200000000, -0.0050316500000000, 0.0056912000000000 ] - [ -0.0038750000000000, 0.0004298300000000, -0.0034067800000000 ] - [ 0.0001614900000000, 0.0022546200000000, 0.0007824400000000 ] - [ -0.0003852100000000, -0.0022452800000000, 0.0003096900000000 ] - [ -0.0002434300000000, -0.0026992600000000, 0.0005837000000000 ] - [ 0.0128431500000000, -0.0012059100000000, 0.0188762500000000 ] - [ -0.0012157400000000, 0.0012824200000000, 0.0007695200000000 ] - [ 0.0002066800000000, -0.0027261500000000, -0.0027553800000000 ] - [ -0.0008687200000000, -0.0003167000000000, -0.0001523500000000 ] - [ -0.0043023600000000, 0.0010241900000000, 0.0043326600000000 ] - [ 0.0007692900000000, 0.0007633500000000, 0.0006080300000000 ] - [ -0.0183666700000000, 0.0547507200000000, -0.0282401300000000 ] - [ 0.0003914700000000, 0.0021722200000000, -0.0006855600000000 ] - [ 0.0054218600000000, -0.0063905400000000, -0.0039806000000000 ] - [ -0.0048870900000000, -0.0037452700000000, -0.0019240600000000 ] - [ 0.0226004400000000, 0.0624989300000000, 0.0261387600000000 ] - [ 0.0004362100000000, 0.0012482200000000, -0.0002679400000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008330200000000, 0.0074050800000000, 0.0017721500000000 ] - [ 0.0003506300000000, 0.0015005100000000, 0.0000438600000000 ] - [ -0.0006444400000000, -0.0166182600000000, 0.0013859600000000 ] - [ -0.0000795100000000, -0.0037575700000000, -0.0000530700000000 ] - [ -0.0033846600000000, -0.0195503200000000, 0.0138761400000000 ] - [ 0.0009176100000000, -0.0004738100000000, 0.0008437100000000 ] - [ -0.0102138200000000, -0.0003821800000000, 0.0191485600000000 ] - [ 0.0018145800000000, 0.0010654700000000, 0.0006288500000000 ] - [ -0.0018814100000000, 0.0232724000000000, -0.0007662400000000 ] - [ -0.0016035900000000, 0.0011414800000000, 0.0014099900000000 ] - [ -0.0062412900000000, 0.0048421500000000, 0.0020238200000000 ] - [ 0.0158646500000000, 0.0062980700000000, 0.0085884400000000 ] - [ 0.0109194800000000, 0.2038539300000000, 0.0045531900000000 ] - [ 0.0000593000000000, 0.0020746500000000, -0.0009255400000000 ] - [ 0.0235141800000000, -0.0026894500000000, -0.0061755600000000 ] - [ -0.0269009800000000, -0.0026797900000000, 0.0061338500000000 ] - [ -0.0012461200000000, -0.0036367900000000, -0.0012448200000000 ] - [ 0.0014617200000000, -0.0007651800000000, 0.0005057700000000 ] - [ 0.0117829000000000, 0.0020596500000000, -0.0166980600000000 ] - [ -0.0026328100000000, 0.0018257800000000, 0.0003569100000000 ] - [ 0.0055073100000000, -0.0196212700000000, -0.0163271800000000 ] - [ -0.0007068100000000, -0.0003279100000000, -0.0007467900000000 ] - [ 0.0019957100000000, 0.0007648000000000, 0.0006360700000000 ] - [ -0.0012473200000000, 0.0020238000000000, -0.0025697300000000 ] - [ -0.0150794100000000, -0.0186369200000000, -0.0026431500000000 ] - [ 0.0064178700000000, -0.0015110700000000, -0.0022236700000000 ] - [ 0.0000157700000000, -0.0052266400000000, -0.0002225100000000 ] - [ 0.0000231400000000, -0.0014688000000000, -0.0005118300000000 ] - [ 0.0029424700000000, -0.0116246200000000, 0.0044583500000000 ] - [ -0.0024421800000000, -0.0022865300000000, 0.0018602500000000 ] - [ -0.0003817300000000, -0.0073415900000000, 0.0007034200000000 ] - [ 0.0001207800000000, -0.0073006200000000, -0.0002406700000000 ] - [ 0.0010196500000000, 0.0042641400000000, 0.0034965000000000 ] - [ -0.0010778700000000, 0.0012231200000000, 0.0004220800000000 ] - [ 0.0064336400000000, 0.0060564300000000, -0.0037543100000000 ] - [ -0.0045896800000000, 0.0033065300000000, -0.0003534800000000 ] - [ 0.0018048600000000, 0.0013790000000000, -0.0004629000000000 ] - [ -0.0023362500000000, 0.0059136400000000, -0.0044922600000000 ] - [ -0.0000647900000000, 0.0084479900000000, 0.0015825300000000 ] - [ -0.0004487300000000, 0.0022520200000000, 0.0006091600000000 ] - [ 0.0001394100000000, 0.0109945300000000, 0.0006185300000000 ] - [ 0.0003419600000000, 0.0020521200000000, 0.0002140300000000 ] - [ 0.0044986100000000, -0.0242714000000000, 0.0014518300000000 ] - [ 0.0011198000000000, -0.0069781200000000, 0.0011459700000000 ] - [ 0.0012827600000000, -0.0200868300000000, -0.0028830400000000 ] - [ -0.0011853500000000, -0.0045185700000000, -0.0000827800000000 ] - [ -0.0040611100000000, -0.0003358800000000, -0.0040839200000000 ] - [ 0.0001068400000000, -0.0008487400000000, -0.0006471400000000 ] - [ -0.0044946600000000, 0.0060641400000000, 0.0026439600000000 ] - [ 0.0030284000000000, 0.0025264400000000, 0.0004866600000000 ] - [ 0.0002597200000000, 0.0036057600000000, 0.0003327000000000 ] - [ -0.0000898900000000, 0.0015030500000000, 0.0004149200000000 ] - [ 0.0010831000000000, -0.0202335600000000, 0.0029659400000000 ] - [ -0.0002087400000000, -0.0016313200000000, 0.0003589700000000 ] - [ -0.0010023500000000, -0.0072967200000000, 0.0006069900000000 ] - [ -0.0001552700000000, -0.0015813800000000, -0.0001202500000000 ] - [ 0.0012853100000000, 0.0041978800000000, -0.0040729000000000 ] - [ -0.0005673900000000, 0.0010431900000000, -0.0007515000000000 ] - [ -0.0023439400000000, -0.0016038600000000, 0.0043442000000000 ] - [ 0.0002457400000000, -0.0005608500000000, 0.0006427500000000 ] - [ -0.0001694000000000, -0.0020023100000000, 0.0000938000000000 ] - [ -0.0012285500000000, -0.0078488200000000, -0.0020587800000000 ] - [ -0.0037577600000000, 0.0028025800000000, 0.0000690900000000 ] - [ 0.0043490900000000, 0.0049570400000000, -0.0055423500000000 ] - [ 0.0037660800000000, -0.0009184200000000, 0.0026030500000000 ] - [ -0.0002616900000000, -0.0027653500000000, -0.0015836300000000 ] - [ -0.0001910100000000, 0.0019310400000000, -0.0004305500000000 ] - [ -0.0003362700000000, 0.0023841500000000, -0.0006870600000000 ] - [ -0.0133986600000000, 0.0020623400000000, -0.0182689100000000 ] - [ 0.0006907100000000, -0.0007262400000000, -0.0001387600000000 ] - [ -0.0007807700000000, 0.0030251300000000, 0.0026309400000000 ] - [ 0.0002918100000000, 0.0006247800000000, 0.0000302400000000 ] - [ 0.0041764600000000, -0.0011356200000000, -0.0042122600000000 ] - [ -0.0008904200000000, -0.0008553600000000, -0.0004829900000000 ] - [ 0.0200255500000000, -0.0563589900000000, 0.0296458100000000 ] - [ -0.0002979500000000, -0.0017042700000000, -0.0001067800000000 ] - [ -0.0052835500000000, 0.0058916700000000, 0.0031539400000000 ] - [ 0.0049985000000000, 0.0032691600000000, 0.0011240800000000 ] - [ -0.0200492400000000, -0.0588290200000000, -0.0242002100000000 ] - [ 0.0001342800000000, -0.0009146700000000, 0.0001476400000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007604900000000, 0.0003412600000000, 0.0208422700000000 ] - [ 0.0001681300000000, -0.0001680100000000, 0.0036635800000000 ] - [ -0.0016405700000000, 0.0016706100000000, -0.0095610800000000 ] - [ 0.0009456400000000, -0.0003112500000000, -0.0039523900000000 ] - [ -0.0051028700000000, -0.0155956800000000, 0.0102956100000000 ] - [ 0.0008899900000000, -0.0007711000000000, 0.0014382400000000 ] - [ -0.0075624100000000, -0.0192863200000000, 0.0218887900000000 ] - [ 0.0011216800000000, 0.0000095100000000, 0.0018375200000000 ] - [ 0.0189585700000000, -0.0015862800000000, 0.0193013300000000 ] - [ -0.0122748400000000, 0.0007614500000000, 0.0085070800000000 ] - [ -0.0115962900000000, -0.0077664000000000, 0.0085412700000000 ] - [ 0.0191124600000000, -0.0035102800000000, 0.0094392400000000 ] - [ -0.0065887500000000, -0.0056692500000000, -0.1719697600000000 ] - [ -0.0006667200000000, 0.0006153000000000, -0.0080706300000000 ] - [ 0.0020586400000000, 0.0064050300000000, -0.0225878400000000 ] - [ 0.0043352600000000, -0.0059011500000000, -0.0225909200000000 ] - [ -0.0007735600000000, -0.0009460800000000, 0.0070815100000000 ] - [ 0.0004724700000000, 0.0008175600000000, 0.0048848000000000 ] - [ -0.0088610200000000, 0.0177450900000000, 0.0218673600000000 ] - [ 0.0015715000000000, 0.0008645700000000, 0.0012814300000000 ] - [ -0.0027541700000000, 0.0141443900000000, 0.0095336600000000 ] - [ 0.0011099700000000, 0.0008019400000000, 0.0012056900000000 ] - [ -0.0026181700000000, 0.0012558100000000, 0.0066968700000000 ] - [ 0.0026709100000000, 0.0024230900000000, 0.0071613300000000 ] - [ 0.0079001900000000, 0.0092503500000000, -0.0140282700000000 ] - [ -0.0013191400000000, 0.0012753600000000, -0.0070652900000000 ] - [ -0.0017429600000000, -0.0000917600000000, 0.0059354500000000 ] - [ 0.0004444700000000, 0.0002006400000000, 0.0027690100000000 ] - [ 0.0041433500000000, -0.0082278800000000, 0.0069528300000000 ] - [ -0.0012529200000000, -0.0024025100000000, 0.0010981600000000 ] - [ -0.0018119000000000, -0.0001141100000000, 0.0020149900000000 ] - [ 0.0026290500000000, -0.0008298600000000, 0.0017469400000000 ] - [ -0.0009461900000000, -0.0009502800000000, -0.0036088200000000 ] - [ 0.0004179800000000, -0.0001430900000000, -0.0016367000000000 ] - [ 0.0034060000000000, 0.0039787700000000, 0.0042074600000000 ] - [ -0.0038725900000000, 0.0026757900000000, 0.0015960600000000 ] - [ 0.0011514300000000, 0.0010942700000000, -0.0014076200000000 ] - [ -0.0021031400000000, 0.0033172300000000, -0.0056946000000000 ] - [ 0.0001379900000000, -0.0013788700000000, 0.0027133500000000 ] - [ 0.0002610100000000, 0.0000252300000000, 0.0014894800000000 ] - [ 0.0000387800000000, 0.0001907900000000, 0.0016696500000000 ] - [ 0.0002560500000000, -0.0002582300000000, 0.0014641700000000 ] - [ -0.0206500900000000, -0.0016176800000000, 0.0319474900000000 ] - [ -0.0047234500000000, -0.0014927000000000, 0.0056908500000000 ] - [ 0.0092283800000000, 0.0031143600000000, 0.0095623700000000 ] - [ -0.0036259700000000, -0.0001574300000000, 0.0045615200000000 ] - [ -0.0031060300000000, 0.0008804300000000, -0.0052569500000000 ] - [ 0.0020698800000000, 0.0034266400000000, -0.0064244600000000 ] - [ 0.0033998900000000, -0.0045092900000000, 0.0051333400000000 ] - [ -0.0026190100000000, -0.0015929300000000, 0.0018651700000000 ] - [ 0.0006868100000000, 0.0000488700000000, -0.0024729000000000 ] - [ -0.0006075800000000, -0.0001211000000000, -0.0012981300000000 ] - [ -0.0013392000000000, 0.0018535100000000, 0.0207273200000000 ] - [ 0.0023148600000000, -0.0013124500000000, 0.0020788300000000 ] - [ -0.0004902900000000, -0.0001937000000000, -0.0125239600000000 ] - [ 0.0001404000000000, -0.0004479300000000, -0.0016000800000000 ] - [ 0.0016723800000000, 0.0034881300000000, -0.0057597100000000 ] - [ -0.0001336000000000, 0.0010501500000000, -0.0017739300000000 ] - [ 0.0028850700000000, -0.0013291400000000, -0.0066554000000000 ] - [ -0.0004232400000000, 0.0000525600000000, -0.0013835800000000 ] - [ 0.0023718900000000, -0.0007871300000000, -0.0031600500000000 ] - [ -0.0028400500000000, -0.0029665000000000, -0.0078053000000000 ] - [ -0.0043028400000000, 0.0021168000000000, 0.0020441200000000 ] - [ 0.0007897200000000, 0.0036658900000000, 0.0059166100000000 ] - [ -0.0030217700000000, -0.0015738200000000, -0.0053195800000000 ] - [ 0.0028790600000000, -0.0040713100000000, -0.0067509400000000 ] - [ -0.0010795000000000, 0.0003043500000000, -0.0022421900000000 ] - [ -0.0002660900000000, 0.0003645800000000, -0.0025016700000000 ] - [ -0.0146142500000000, 0.0176865300000000, -0.0012361500000000 ] - [ 0.0041837300000000, 0.0025149500000000, 0.0018419100000000 ] - [ -0.0002385500000000, -0.0023974300000000, -0.0059043100000000 ] - [ -0.0005958600000000, -0.0005286100000000, -0.0017299100000000 ] - [ 0.0033960900000000, 0.0025814800000000, -0.0081554700000000 ] - [ -0.0010163600000000, 0.0001024200000000, -0.0020228200000000 ] - [ 0.0171324500000000, -0.0293777400000000, 0.0386068200000000 ] - [ 0.0026907700000000, 0.0017403300000000, 0.0000825900000000 ] - [ 0.0030231400000000, -0.0034602200000000, 0.0016089500000000 ] - [ -0.0029308000000000, -0.0014293500000000, -0.0000417000000000 ] - [ 0.0070943900000000, 0.0218817700000000, 0.0316436300000000 ] - [ 0.0027128200000000, -0.0014629500000000, 0.0017564500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0011029000000000, -0.0006704600000000, -0.0207788400000000 ] - [ 0.0001743500000000, -0.0001477300000000, -0.0037055400000000 ] - [ 0.0012972500000000, -0.0019902600000000, 0.0095557100000000 ] - [ -0.0012875400000000, 0.0000007800000000, 0.0039239400000000 ] - [ 0.0052509800000000, 0.0154462800000000, -0.0096335100000000 ] - [ -0.0007869900000000, 0.0007021600000000, -0.0007619800000000 ] - [ 0.0075596000000000, 0.0194215400000000, -0.0213753400000000 ] - [ -0.0012343000000000, -0.0000818100000000, -0.0011452800000000 ] - [ -0.0192521900000000, 0.0016396100000000, -0.0187304200000000 ] - [ 0.0121723300000000, -0.0006825100000000, -0.0078297000000000 ] - [ 0.0121503700000000, 0.0070620500000000, -0.0082186500000000 ] - [ -0.0184173200000000, 0.0027337100000000, -0.0090908700000000 ] - [ 0.0057685400000000, 0.0083465400000000, 0.1718041600000000 ] - [ 0.0005725200000000, 0.0003134100000000, 0.0065346600000000 ] - [ -0.0020764300000000, -0.0074131300000000, 0.0210893800000000 ] - [ -0.0045423100000000, 0.0049189400000000, 0.0210863100000000 ] - [ 0.0008595300000000, -0.0000034500000000, -0.0086204800000000 ] - [ -0.0003708600000000, -0.0017576900000000, -0.0064493100000000 ] - [ 0.0082861200000000, -0.0172183400000000, -0.0216293000000000 ] - [ -0.0022042500000000, -0.0001613800000000, -0.0008972000000000 ] - [ 0.0034225300000000, -0.0133517300000000, -0.0092160500000000 ] - [ -0.0004826200000000, -0.0000969400000000, -0.0008416900000000 ] - [ 0.0029130300000000, -0.0009382100000000, -0.0067362400000000 ] - [ -0.0023110700000000, -0.0020719900000000, -0.0071985500000000 ] - [ -0.0082036400000000, -0.0088783600000000, 0.0140182700000000 ] - [ 0.0009765600000000, -0.0009549600000000, 0.0070471300000000 ] - [ 0.0018586600000000, 0.0010283800000000, -0.0075008700000000 ] - [ -0.0003466200000000, 0.0007304000000000, -0.0043273000000000 ] - [ -0.0047822900000000, 0.0075335000000000, -0.0065804900000000 ] - [ 0.0006249600000000, 0.0017009600000000, -0.0007165700000000 ] - [ 0.0019175900000000, 0.0001877500000000, -0.0013389300000000 ] - [ -0.0025314300000000, 0.0009032900000000, -0.0010746500000000 ] - [ 0.0008162200000000, 0.0010317800000000, 0.0037519600000000 ] - [ -0.0005362900000000, 0.0002286300000000, 0.0017672500000000 ] - [ -0.0029906500000000, -0.0032189600000000, -0.0038685000000000 ] - [ 0.0043001500000000, -0.0019119500000000, -0.0012796500000000 ] - [ -0.0006030500000000, -0.0005549000000000, 0.0020483800000000 ] - [ 0.0026504300000000, -0.0027931300000000, 0.0063708200000000 ] - [ -0.0002600800000000, 0.0008739700000000, -0.0023523100000000 ] - [ -0.0003846700000000, -0.0005220000000000, -0.0011267900000000 ] - [ 0.0003735000000000, -0.0009459100000000, -0.0013454300000000 ] - [ 0.0001620400000000, -0.0005118400000000, -0.0011438600000000 ] - [ 0.0204210900000000, 0.0013291600000000, -0.0319330200000000 ] - [ 0.0053106000000000, 0.0011780600000000, -0.0058071400000000 ] - [ -0.0089920900000000, -0.0035805600000000, -0.0098418700000000 ] - [ 0.0030969900000000, -0.0003770800000000, -0.0039449000000000 ] - [ 0.0026964000000000, -0.0001154100000000, 0.0055609500000000 ] - [ -0.0024915200000000, -0.0026505500000000, 0.0067191100000000 ] - [ -0.0035307300000000, 0.0050202600000000, -0.0047814300000000 ] - [ 0.0024941200000000, 0.0020868300000000, -0.0015023900000000 ] - [ -0.0001503600000000, -0.0005833800000000, 0.0031176100000000 ] - [ 0.0011512600000000, -0.0004150900000000, 0.0019366700000000 ] - [ 0.0008789600000000, -0.0026518300000000, -0.0216574000000000 ] - [ -0.0021932200000000, 0.0014026200000000, -0.0019610200000000 ] - [ 0.0000775100000000, -0.0005694700000000, 0.0128688800000000 ] - [ -0.0005564900000000, -0.0003216600000000, 0.0019182000000000 ] - [ -0.0017730100000000, -0.0030091500000000, 0.0049583700000000 ] - [ 0.0000344500000000, -0.0005623900000000, 0.0009774000000000 ] - [ -0.0027317700000000, 0.0017869100000000, 0.0070133900000000 ] - [ 0.0005394200000000, 0.0004364100000000, 0.0017575900000000 ] - [ -0.0022412700000000, 0.0002960500000000, 0.0035438100000000 ] - [ 0.0029221600000000, 0.0024638200000000, 0.0081645400000000 ] - [ 0.0044419500000000, -0.0022143600000000, -0.0019263100000000 ] - [ -0.0006688600000000, -0.0037707400000000, -0.0058122600000000 ] - [ 0.0029215400000000, 0.0010927400000000, 0.0045077300000000 ] - [ -0.0029922400000000, 0.0035826000000000, 0.0059498700000000 ] - [ 0.0005030200000000, -0.0006177700000000, 0.0021203500000000 ] - [ -0.0003140700000000, -0.0006783100000000, 0.0023856100000000 ] - [ 0.0140639000000000, -0.0171032400000000, 0.0015715400000000 ] - [ -0.0047301300000000, -0.0019792100000000, -0.0012132800000000 ] - [ -0.0003403800000000, 0.0027169700000000, 0.0057725700000000 ] - [ 0.0000168400000000, 0.0008417900000000, 0.0016086600000000 ] - [ -0.0034984100000000, -0.0026369100000000, 0.0082750800000000 ] - [ 0.0008868700000000, -0.0001840600000000, 0.0021544300000000 ] - [ -0.0160606400000000, 0.0282400300000000, -0.0384562900000000 ] - [ -0.0026071200000000, -0.0012649200000000, -0.0008725600000000 ] - [ -0.0029288800000000, 0.0029796100000000, -0.0023903800000000 ] - [ 0.0030522200000000, 0.0009487400000000, -0.0007474300000000 ] - [ -0.0061619400000000, -0.0208314400000000, -0.0316386300000000 ] - [ -0.0021517600000000, 0.0017889100000000, -0.0018796900000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0059965600000000, -0.0058484700000000, 0.0015760500000000 ] - [ -0.0037153700000000, 0.0041295900000000, -0.0014662300000000 ] - [ 0.0023515700000000, -0.0005891800000000, -0.0023337600000000 ] - [ -0.0029439000000000, -0.0007613300000000, 0.0008434300000000 ] - [ 0.0048479600000000, 0.0061040800000000, -0.0021936700000000 ] - [ -0.0035410000000000, -0.0034245100000000, 0.0024316500000000 ] - [ 0.0052057800000000, -0.0019894000000000, 0.0015891600000000 ] - [ -0.0030475800000000, 0.0002386900000000, 0.0000446000000000 ] - [ -0.0013245600000000, -0.0006059700000000, 0.0008925100000000 ] - [ 0.0003140000000000, 0.0016388900000000, -0.0007583000000000 ] - [ -0.0025930300000000, -0.0001793100000000, -0.0002539900000000 ] - [ 0.0026724500000000, 0.0002290700000000, 0.0004876700000000 ] - [ 0.0009896900000000, -0.0006267100000000, -0.0016628900000000 ] - [ -0.0016863100000000, 0.0014877100000000, -0.0002957800000000 ] - [ -0.0032588400000000, -0.0012930500000000, -0.0017247600000000 ] - [ 0.0060160400000000, 0.0037780700000000, 0.0026734700000000 ] - [ -0.0036876500000000, 0.0033511100000000, 0.0035787400000000 ] - [ 0.0011966600000000, -0.0047632200000000, -0.0015180900000000 ] - [ 0.0022605100000000, 0.0003754700000000, 0.0006721400000000 ] - [ -0.0023765600000000, 0.0003723500000000, -0.0003117600000000 ] - [ 0.0250173200000000, 0.0025987000000000, 0.0039034300000000 ] - [ -0.0094773100000000, 0.0003795100000000, 0.0017417600000000 ] - [ -0.0085373800000000, 0.0005376800000000, 0.0015965200000000 ] - [ 0.0543796200000000, -0.0499118000000000, 0.0206228100000000 ] - [ -0.0014514800000000, 0.0006251400000000, -0.0009840800000000 ] - [ 0.0011716100000000, -0.0006069300000000, 0.0002364400000000 ] - [ 0.0210605900000000, 0.0018810000000000, 0.0005117100000000 ] - [ -0.0063470600000000, 0.0001892600000000, -0.0030479600000000 ] - [ -0.0038345800000000, -0.0002982200000000, 0.0018703200000000 ] - [ -0.0005576800000000, 0.0005289100000000, -0.0026567700000000 ] - [ -0.0089879100000000, -0.0005410700000000, -0.0034888000000000 ] - [ 0.0240014300000000, -0.0011931900000000, -0.0016873200000000 ] - [ -0.1706423500000000, 0.0522925900000000, -0.0286301400000000 ] - [ 0.0049882700000000, 0.0000176600000000, 0.0002404300000000 ] - [ 0.0018410900000000, -0.0010720100000000, 0.0023389400000000 ] - [ -0.0009628700000000, 0.0019510600000000, -0.0009039600000000 ] - [ 0.0065224600000000, -0.0000617000000000, 0.0009546400000000 ] - [ -0.0071419900000000, 0.0015443100000000, -0.0005717600000000 ] - [ 0.0005112700000000, -0.0009435500000000, -0.0000193000000000 ] - [ 0.0003743300000000, 0.0005733700000000, -0.0001716100000000 ] - [ -0.0036571200000000, -0.0063248000000000, 0.0117269300000000 ] - [ 0.0035274100000000, 0.0002238200000000, -0.0004139200000000 ] - [ 0.0012769000000000, 0.0001687400000000, 0.0007466600000000 ] - [ -0.0005574000000000, -0.0013698800000000, -0.0006506500000000 ] - [ -0.0022554200000000, -0.0004617800000000, 0.0015237300000000 ] - [ 0.0011849200000000, -0.0002453400000000, 0.0000636400000000 ] - [ 0.0020492900000000, 0.0006765700000000, -0.0009143100000000 ] - [ -0.0026989500000000, -0.0025858700000000, 0.0049087700000000 ] - [ -0.0018733900000000, -0.0000949200000000, 0.0013159600000000 ] - [ 0.0013339600000000, 0.0003845100000000, 0.0002827900000000 ] - [ 0.0245853800000000, -0.0194341500000000, 0.0025491800000000 ] - [ 0.0114357700000000, 0.0078497100000000, 0.0001619200000000 ] - [ -0.0001640300000000, -0.0000264000000000, 0.0000662900000000 ] - [ 0.0003574700000000, -0.0000031600000000, 0.0001017000000000 ] - [ -0.0015963500000000, 0.0004623100000000, -0.0010929900000000 ] - [ 0.0010793800000000, -0.0011169600000000, 0.0010731300000000 ] - [ 0.0025829100000000, 0.0011945700000000, -0.0098648000000000 ] - [ 0.0020016400000000, 0.0000180600000000, 0.0006531500000000 ] - [ 0.0171467300000000, 0.0142925200000000, -0.0023882700000000 ] - [ 0.0093789300000000, -0.0080285800000000, 0.0009422600000000 ] - [ 0.0049409400000000, -0.0000175800000000, -0.0000815900000000 ] - [ -0.0055733000000000, -0.0016388000000000, 0.0009128100000000 ] - [ 0.0018401800000000, -0.0000615500000000, -0.0001226000000000 ] - [ -0.0028378400000000, 0.0001086900000000, 0.0002751700000000 ] - [ 0.0011859600000000, -0.0003694500000000, -0.0008500500000000 ] - [ -0.0012281000000000, 0.0001540900000000, 0.0000978400000000 ] - [ 0.0022841100000000, -0.0001378200000000, -0.0009538400000000 ] - [ -0.0016930100000000, 0.0066382500000000, 0.0096526500000000 ] - [ 0.0002128600000000, 0.0012330200000000, -0.0003383000000000 ] - [ 0.0001634600000000, -0.0005431000000000, -0.0002205000000000 ] - [ -0.0022141000000000, -0.0015736500000000, -0.0021148100000000 ] - [ 0.0014845600000000, 0.0011058100000000, 0.0010772800000000 ] - [ -0.0002560800000000, -0.0012355900000000, 0.0000137700000000 ] - [ -0.0002803200000000, 0.0000751900000000, 0.0000724600000000 ] - [ -0.0015754900000000, -0.0000952200000000, -0.0006885500000000 ] - [ 0.0015107800000000, 0.0001311400000000, -0.0001767000000000 ] - [ 0.0033171300000000, 0.0004660400000000, 0.0025109900000000 ] - [ 0.0081220600000000, -0.0018428200000000, -0.0168227200000000 ] - [ -0.0035013000000000, 0.0024251900000000, 0.0037829400000000 ] - [ 0.0033556900000000, -0.0005154300000000, -0.0009429700000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0057183500000000, 0.0055520700000000, -0.0016136200000000 ] - [ 0.0040544400000000, -0.0044076300000000, 0.0014091800000000 ] - [ -0.0026949900000000, 0.0002695900000000, 0.0022640200000000 ] - [ 0.0026104600000000, 0.0004425400000000, -0.0008722400000000 ] - [ -0.0048109300000000, -0.0061757600000000, 0.0029083000000000 ] - [ 0.0036559700000000, 0.0033321600000000, -0.0017184600000000 ] - [ -0.0053306500000000, 0.0019129100000000, -0.0008965800000000 ] - [ 0.0029458600000000, -0.0003079000000000, 0.0006373500000000 ] - [ 0.0012080000000000, 0.0006794400000000, -0.0002100600000000 ] - [ -0.0003968400000000, -0.0015756000000000, 0.0014543700000000 ] - [ 0.0032187900000000, -0.0005235000000000, 0.0006500500000000 ] - [ -0.0019961900000000, -0.0009168300000000, -0.0001387200000000 ] - [ -0.0011174500000000, 0.0015412900000000, 0.0001000800000000 ] - [ 0.0015925700000000, -0.0005538500000000, -0.0012493500000000 ] - [ 0.0031465900000000, 0.0003676600000000, 0.0001789900000000 ] - [ -0.0060765200000000, -0.0047001400000000, -0.0042209600000000 ] - [ 0.0037840800000000, -0.0042973400000000, -0.0051661500000000 ] - [ -0.0010323900000000, 0.0038424900000000, -0.0000597500000000 ] - [ -0.0029060500000000, 0.0003347400000000, -0.0002942200000000 ] - [ 0.0017494400000000, 0.0003356300000000, 0.0006877500000000 ] - [ -0.0260556200000000, -0.0023390200000000, -0.0050455800000000 ] - [ 0.0100790400000000, 0.0003195600000000, -0.0013134000000000 ] - [ 0.0088815100000000, -0.0002276700000000, -0.0016478100000000 ] - [ -0.0533421800000000, 0.0482499900000000, -0.0198738900000000 ] - [ 0.0011013000000000, -0.0003085600000000, 0.0009499000000000 ] - [ -0.0014962000000000, 0.0009241800000000, -0.0002668300000000 ] - [ -0.0211532400000000, -0.0006143300000000, -0.0017154200000000 ] - [ 0.0064396500000000, 0.0007352000000000, 0.0014591100000000 ] - [ 0.0031858500000000, -0.0004077700000000, -0.0014976900000000 ] - [ -0.0000358900000000, -0.0012578600000000, 0.0030489600000000 ] - [ 0.0091000700000000, 0.0006141800000000, 0.0042050000000000 ] - [ -0.0235239300000000, 0.0018244700000000, 0.0018371000000000 ] - [ 0.1716941500000000, -0.0506892100000000, 0.0297327000000000 ] - [ -0.0051047800000000, 0.0000726800000000, -0.0001164100000000 ] - [ -0.0014150300000000, 0.0018471000000000, -0.0020403000000000 ] - [ 0.0013586100000000, -0.0011751400000000, 0.0012181100000000 ] - [ -0.0059872700000000, 0.0006149600000000, -0.0003238900000000 ] - [ 0.0076549500000000, -0.0011496900000000, 0.0012274900000000 ] - [ -0.0006211800000000, 0.0004498900000000, 0.0003928200000000 ] - [ -0.0005109900000000, -0.0010638400000000, 0.0005274200000000 ] - [ 0.0041574200000000, 0.0055111700000000, -0.0113482700000000 ] - [ -0.0031110200000000, -0.0009918300000000, 0.0007196000000000 ] - [ -0.0006848800000000, -0.0004803500000000, -0.0008776800000000 ] - [ 0.0011223100000000, 0.0010542900000000, 0.0005252600000000 ] - [ 0.0017139400000000, -0.0000695600000000, -0.0008845500000000 ] - [ -0.0017239500000000, -0.0002919300000000, 0.0005687100000000 ] - [ -0.0024606000000000, 0.0000938600000000, 0.0012435100000000 ] - [ 0.0022346600000000, 0.0033766600000000, -0.0046081100000000 ] - [ 0.0017502800000000, 0.0005850400000000, -0.0009464500000000 ] - [ -0.0014562000000000, 0.0001110300000000, 0.0000835700000000 ] - [ -0.0244308300000000, 0.0192527100000000, -0.0019351500000000 ] - [ -0.0107446400000000, -0.0082578700000000, 0.0004656400000000 ] - [ 0.0002967000000000, 0.0001153900000000, 0.0000583900000000 ] - [ -0.0002409200000000, 0.0000902500000000, 0.0000217300000000 ] - [ 0.0011940100000000, -0.0012337800000000, 0.0014182400000000 ] - [ -0.0015009700000000, 0.0003415800000000, -0.0007404600000000 ] - [ -0.0026727900000000, -0.0007071400000000, 0.0091320800000000 ] - [ -0.0021130300000000, 0.0004739500000000, -0.0014355800000000 ] - [ -0.0172609600000000, -0.0140454400000000, 0.0027705800000000 ] - [ -0.0091286800000000, 0.0083962900000000, -0.0005686200000000 ] - [ -0.0048183200000000, -0.0004928300000000, 0.0004469300000000 ] - [ 0.0056741800000000, 0.0011806300000000, -0.0005385900000000 ] - [ -0.0017131700000000, -0.0000270100000000, 0.0002452600000000 ] - [ 0.0029577100000000, -0.0001956500000000, -0.0001531800000000 ] - [ -0.0012835200000000, -0.0001196800000000, 0.0000593400000000 ] - [ 0.0011208700000000, -0.0006508300000000, -0.0008981600000000 ] - [ -0.0028608800000000, -0.0001744100000000, 0.0008443900000000 ] - [ 0.0010084900000000, -0.0069694600000000, -0.0098144400000000 ] - [ -0.0007406500000000, -0.0006983200000000, 0.0009756200000000 ] - [ -0.0007156300000000, 0.0010779600000000, 0.0008433000000000 ] - [ 0.0016553700000000, 0.0018857500000000, 0.0020002000000000 ] - [ -0.0020764800000000, -0.0007910500000000, -0.0011866700000000 ] - [ 0.0001525000000000, 0.0011535300000000, 0.0001086500000000 ] - [ 0.0001280600000000, -0.0001661500000000, 0.0000529700000000 ] - [ 0.0016873600000000, 0.0005785100000000, -0.0000989000000000 ] - [ -0.0014128800000000, 0.0003591000000000, -0.0006268700000000 ] - [ -0.0032112100000000, -0.0009570500000000, -0.0033243100000000 ] - [ -0.0079652100000000, 0.0013515300000000, 0.0158272300000000 ] - [ 0.0041123000000000, -0.0020628300000000, -0.0038420700000000 ] - [ -0.0027733500000000, 0.0008228500000000, 0.0008095200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0051403500000000, -0.0085374800000000, 0.0024618100000000 ] - [ 0.0013734400000000, -0.0041136600000000, 0.0006734100000000 ] - [ -0.0002692800000000, 0.0026208700000000, 0.0038133900000000 ] - [ -0.0003192500000000, 0.0006632400000000, 0.0000874400000000 ] - [ 0.0056593600000000, -0.0064706800000000, 0.0041280100000000 ] - [ -0.0011027200000000, -0.0016511000000000, 0.0014891500000000 ] - [ -0.0023048000000000, 0.0011087300000000, 0.0027352800000000 ] - [ 0.0003526700000000, 0.0005854000000000, 0.0005947000000000 ] - [ -0.0007602800000000, -0.0010309600000000, 0.0008985400000000 ] - [ 0.0013395900000000, -0.0035747100000000, 0.0017750800000000 ] - [ 0.0003842400000000, -0.0032529100000000, -0.0001010600000000 ] - [ 0.0001045500000000, -0.0125514300000000, -0.0001420000000000 ] - [ -0.0015475900000000, -0.0037572300000000, -0.0017652800000000 ] - [ 0.0006619100000000, -0.0007153000000000, -0.0009619200000000 ] - [ -0.0004370900000000, 0.0003400400000000, -0.0009216100000000 ] - [ 0.0023299100000000, 0.0005924100000000, -0.0033902100000000 ] - [ 0.0019152700000000, -0.0033004900000000, -0.0029396200000000 ] - [ -0.0054012200000000, -0.0054395000000000, -0.0045165700000000 ] - [ -0.0002090300000000, -0.0033090600000000, -0.0001189600000000 ] - [ -0.0003434100000000, -0.0011200300000000, 0.0000245300000000 ] - [ -0.0011508800000000, 0.0225945200000000, -0.0010589200000000 ] - [ 0.0019501500000000, 0.0044880000000000, -0.0003991500000000 ] - [ -0.0033623300000000, 0.0024896100000000, 0.0012235000000000 ] - [ -0.0452801900000000, 0.0841887400000000, -0.0280489800000000 ] - [ 0.0003827400000000, -0.0007372900000000, 0.0006892000000000 ] - [ -0.0010979600000000, -0.0010070600000000, 0.0007113500000000 ] - [ -0.0012228700000000, 0.0207095000000000, 0.0019313900000000 ] - [ -0.0010353400000000, 0.0021347300000000, -0.0021349300000000 ] - [ -0.0006166900000000, 0.0015368700000000, 0.0003659200000000 ] - [ -0.0007536600000000, 0.0063942400000000, -0.0007140500000000 ] - [ 0.0035720200000000, 0.0022320400000000, 0.0029465600000000 ] - [ 0.0026100200000000, 0.0256713000000000, -0.0048059000000000 ] - [ 0.0496862900000000, -0.2159970200000000, 0.0366995900000000 ] - [ -0.0000867200000000, -0.0022735000000000, 0.0001835100000000 ] - [ -0.0008217400000000, 0.0017785100000000, -0.0010672700000000 ] - [ 0.0022202700000000, 0.0015678600000000, -0.0020152600000000 ] - [ -0.0008564400000000, 0.0016039000000000, 0.0001195000000000 ] - [ 0.0047157400000000, 0.0377285500000000, -0.0036263700000000 ] - [ -0.0008746200000000, -0.0011232800000000, -0.0010419300000000 ] - [ 0.0008097900000000, -0.0010925200000000, 0.0009300800000000 ] - [ -0.0055072900000000, 0.0040799400000000, -0.0199086500000000 ] - [ 0.0003400600000000, -0.0012361900000000, -0.0005279400000000 ] - [ 0.0008800000000000, 0.0009743100000000, 0.0002900100000000 ] - [ -0.0008934400000000, 0.0012608600000000, 0.0008347100000000 ] - [ -0.0002673500000000, 0.0013392400000000, 0.0005280600000000 ] - [ -0.0003129600000000, 0.0001172700000000, 0.0002778600000000 ] - [ 0.0005216000000000, -0.0000629000000000, -0.0005985100000000 ] - [ -0.0034739100000000, 0.0020715800000000, -0.0084312800000000 ] - [ 0.0002043300000000, 0.0016589100000000, -0.0005802300000000 ] - [ -0.0001278200000000, 0.0005302500000000, 0.0000677500000000 ] - [ -0.0181011200000000, 0.0055695500000000, -0.0015079000000000 ] - [ 0.0065418500000000, -0.0000173100000000, -0.0000115800000000 ] - [ 0.0001309100000000, 0.0013269400000000, -0.0001631500000000 ] - [ 0.0001098800000000, 0.0011324400000000, -0.0000065500000000 ] - [ 0.0008384200000000, 0.0011418200000000, -0.0014273200000000 ] - [ -0.0007563300000000, 0.0007617700000000, -0.0004072200000000 ] - [ 0.0013142100000000, -0.0033602600000000, -0.0014499600000000 ] - [ -0.0000252900000000, -0.0015080800000000, -0.0001973300000000 ] - [ 0.0156095700000000, 0.0048397500000000, -0.0009787700000000 ] - [ -0.0066729400000000, 0.0018336000000000, 0.0005377000000000 ] - [ 0.0008035400000000, 0.0015754400000000, 0.0003957500000000 ] - [ -0.0007848100000000, 0.0224299600000000, 0.0020751100000000 ] - [ 0.0000458400000000, -0.0007741300000000, -0.0000175500000000 ] - [ 0.0002117300000000, -0.0026755500000000, -0.0000897400000000 ] - [ -0.0001374100000000, 0.0007939900000000, -0.0001853500000000 ] - [ -0.0000478400000000, 0.0031603500000000, 0.0001797200000000 ] - [ -0.0008786800000000, -0.0010417100000000, 0.0007669300000000 ] - [ 0.0061927000000000, 0.0014262500000000, 0.0134833700000000 ] - [ 0.0005527600000000, -0.0001059700000000, 0.0007940800000000 ] - [ -0.0013305500000000, 0.0001229500000000, -0.0005129800000000 ] - [ -0.0016229400000000, 0.0021871800000000, 0.0019805500000000 ] - [ 0.0005734900000000, 0.0011715700000000, 0.0006340400000000 ] - [ -0.0001946500000000, 0.0038422600000000, 0.0002783300000000 ] - [ 0.0011537300000000, 0.0038455500000000, 0.0003589600000000 ] - [ -0.0004036700000000, 0.0049722300000000, -0.0019218400000000 ] - [ 0.0001085800000000, 0.0013794800000000, -0.0006636300000000 ] - [ -0.0000559600000000, -0.0029762000000000, -0.0008370800000000 ] - [ -0.0022382400000000, -0.0054632300000000, 0.0021158000000000 ] - [ 0.0029592400000000, 0.0038430700000000, 0.0097843300000000 ] - [ -0.0003327500000000, -0.0001408200000000, 0.0003295400000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0055868500000000, 0.0082356700000000, -0.0025185400000000 ] - [ -0.0010564300000000, 0.0037963500000000, -0.0007170500000000 ] - [ -0.0000697900000000, -0.0029318100000000, -0.0038802300000000 ] - [ -0.0000155400000000, -0.0009725100000000, -0.0001307000000000 ] - [ -0.0055096700000000, 0.0064593700000000, -0.0034084900000000 ] - [ 0.0011965100000000, 0.0015977000000000, -0.0007911900000000 ] - [ 0.0022221300000000, -0.0012155000000000, -0.0020559200000000 ] - [ -0.0004640000000000, -0.0006626800000000, 0.0000893300000000 ] - [ 0.0006580300000000, 0.0010950600000000, -0.0002144500000000 ] - [ -0.0014501800000000, 0.0036413900000000, -0.0010986800000000 ] - [ 0.0002474500000000, 0.0025507900000000, 0.0004885500000000 ] - [ 0.0004787500000000, 0.0118577100000000, 0.0006081900000000 ] - [ 0.0014509800000000, 0.0046667800000000, 0.0002180000000000 ] - [ -0.0007717000000000, 0.0016373600000000, -0.0005901500000000 ] - [ 0.0003321300000000, -0.0012783200000000, -0.0006352100000000 ] - [ -0.0024427600000000, -0.0015686400000000, 0.0018269900000000 ] - [ -0.0018164600000000, 0.0023894800000000, 0.0013905900000000 ] - [ 0.0054770200000000, 0.0045492000000000, 0.0029191000000000 ] - [ -0.0004171700000000, 0.0040241100000000, 0.0004854600000000 ] - [ -0.0002925500000000, 0.0018295900000000, 0.0003508200000000 ] - [ 0.0017791100000000, -0.0218463200000000, 0.0014495700000000 ] - [ -0.0012978400000000, -0.0038007100000000, 0.0008177800000000 ] - [ 0.0036831600000000, -0.0021827700000000, -0.0012631000000000 ] - [ 0.0488391400000000, -0.0873435200000000, 0.0299434800000000 ] - [ -0.0007225700000000, 0.0010594700000000, -0.0007295700000000 ] - [ 0.0007606400000000, 0.0013330900000000, -0.0007454900000000 ] - [ 0.0008301400000000, -0.0191083900000000, -0.0025694400000000 ] - [ 0.0011332700000000, -0.0012068900000000, 0.0005788300000000 ] - [ -0.0000422200000000, -0.0022415400000000, 0.0000201600000000 ] - [ 0.0001279300000000, -0.0071187900000000, 0.0010862800000000 ] - [ -0.0034867500000000, -0.0021601900000000, -0.0022570600000000 ] - [ -0.0016259300000000, -0.0246883200000000, 0.0045543200000000 ] - [ -0.0533390000000000, 0.2176157100000000, -0.0384115500000000 ] - [ -0.0000318600000000, 0.0023663100000000, -0.0000614400000000 ] - [ 0.0012409900000000, -0.0010216700000000, 0.0013869300000000 ] - [ -0.0017981200000000, -0.0008147000000000, 0.0023150100000000 ] - [ 0.0013997500000000, -0.0010739200000000, 0.0005120500000000 ] - [ -0.0041041700000000, -0.0364961100000000, 0.0041947400000000 ] - [ 0.0007556300000000, 0.0006188200000000, 0.0014047600000000 ] - [ -0.0009331100000000, 0.0005902200000000, -0.0005575000000000 ] - [ 0.0058992500000000, -0.0049134900000000, 0.0201191500000000 ] - [ 0.0000707500000000, 0.0004584300000000, 0.0008433400000000 ] - [ -0.0003024100000000, -0.0012808900000000, -0.0004154100000000 ] - [ 0.0014822100000000, -0.0015599200000000, -0.0009744500000000 ] - [ -0.0002754300000000, -0.0018704500000000, 0.0001096700000000 ] - [ -0.0002244200000000, -0.0006513000000000, 0.0003561400000000 ] - [ -0.0009312500000000, 0.0008385100000000, 0.0009190100000000 ] - [ 0.0030827000000000, -0.0012826800000000, 0.0088198100000000 ] - [ -0.0003297700000000, -0.0011742600000000, 0.0009516000000000 ] - [ 0.0000070200000000, -0.0000398100000000, 0.0003015000000000 ] - [ 0.0185269200000000, -0.0061468700000000, 0.0021350400000000 ] - [ -0.0059821500000000, -0.0005327100000000, 0.0006383200000000 ] - [ -0.0000102300000000, -0.0012402400000000, 0.0002877300000000 ] - [ 0.0000172600000000, -0.0010459800000000, 0.0001309800000000 ] - [ -0.0012675000000000, -0.0019057500000000, 0.0017613100000000 ] - [ 0.0003466800000000, -0.0015310700000000, 0.0007345600000000 ] - [ -0.0013645600000000, 0.0038690800000000, 0.0005696200000000 ] - [ -0.0000725500000000, 0.0020008700000000, -0.0005967800000000 ] - [ -0.0156194800000000, -0.0043189400000000, 0.0013308700000000 ] - [ 0.0068591900000000, -0.0013246400000000, -0.0001798900000000 ] - [ -0.0006768500000000, -0.0020715200000000, -0.0000295300000000 ] - [ 0.0009383900000000, -0.0232722000000000, -0.0017110100000000 ] - [ 0.0000804900000000, 0.0006863700000000, 0.0001431100000000 ] - [ -0.0000924800000000, 0.0025933200000000, 0.0002204900000000 ] - [ 0.0000346600000000, -0.0012861100000000, -0.0006085700000000 ] - [ -0.0000511700000000, -0.0036577100000000, -0.0009539500000000 ] - [ 0.0003067400000000, 0.0007254000000000, -0.0008875600000000 ] - [ -0.0067578300000000, -0.0017670600000000, -0.0135190000000000 ] - [ -0.0010905500000000, 0.0006560600000000, -0.0001687800000000 ] - [ 0.0007916400000000, 0.0004213600000000, 0.0011567500000000 ] - [ 0.0010356300000000, -0.0018892700000000, -0.0020995100000000 ] - [ -0.0011514600000000, -0.0008685200000000, -0.0007531900000000 ] - [ 0.0000469100000000, -0.0039459200000000, -0.0001578400000000 ] - [ -0.0012349500000000, -0.0039427300000000, -0.0002340500000000 ] - [ 0.0004822400000000, -0.0044877300000000, 0.0010849100000000 ] - [ -0.0000017300000000, -0.0008917000000000, -0.0001371700000000 ] - [ 0.0001693200000000, 0.0024912800000000, 0.0000453300000000 ] - [ 0.0022401500000000, 0.0050207700000000, -0.0028208800000000 ] - [ -0.0024005800000000, -0.0035046900000000, -0.0099634000000000 ] - [ 0.0009074000000000, 0.0004618400000000, -0.0004535000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0010821200000000, 0.0014499000000000, 0.0027078700000000 ] - [ -0.0002651200000000, 0.0001226600000000, 0.0012081200000000 ] - [ -0.0002126200000000, -0.0013340100000000, -0.0116416800000000 ] - [ 0.0002704300000000, 0.0003345200000000, -0.0021618600000000 ] - [ -0.0027818500000000, 0.0048969300000000, 0.0059708800000000 ] - [ 0.0006015500000000, 0.0003694000000000, 0.0019550400000000 ] - [ 0.0016149700000000, 0.0036763100000000, -0.0071742300000000 ] - [ -0.0006180900000000, 0.0003851900000000, -0.0012228600000000 ] - [ 0.0004845900000000, 0.0004414200000000, -0.0008931500000000 ] - [ -0.0020675800000000, 0.0035791600000000, -0.0036032500000000 ] - [ 0.0000159100000000, -0.0000745200000000, 0.0014602600000000 ] - [ 0.0005877700000000, -0.0004694000000000, 0.0028325200000000 ] - [ -0.0023883300000000, -0.0029559400000000, -0.0044637400000000 ] - [ 0.0004275200000000, 0.0001041700000000, -0.0024855100000000 ] - [ -0.0004238900000000, -0.0010095800000000, -0.0028716900000000 ] - [ 0.0017152600000000, -0.0047332800000000, -0.0089973200000000 ] - [ 0.0006113200000000, -0.0004578900000000, 0.0012231500000000 ] - [ -0.0026224600000000, -0.0060842100000000, 0.0051198500000000 ] - [ 0.0000416200000000, -0.0001338500000000, -0.0024602300000000 ] - [ -0.0007145600000000, 0.0002158400000000, -0.0011661600000000 ] - [ 0.0029311500000000, 0.0018654000000000, 0.0247977700000000 ] - [ 0.0051731200000000, -0.0004761600000000, 0.0053597400000000 ] - [ 0.0007508700000000, 0.0003367400000000, 0.0015038300000000 ] - [ 0.0203589100000000, -0.0285420500000000, 0.0306365500000000 ] - [ -0.0008218800000000, 0.0005870900000000, -0.0017302600000000 ] - [ 0.0006091700000000, 0.0003989600000000, -0.0033718300000000 ] - [ 0.0027134800000000, -0.0023348600000000, 0.0209068600000000 ] - [ -0.0009934500000000, 0.0001657400000000, 0.0012601900000000 ] - [ 0.0039982300000000, -0.0012420300000000, -0.0030991300000000 ] - [ -0.0050559700000000, 0.0016824400000000, -0.0086395800000000 ] - [ -0.0005147700000000, 0.0004716900000000, 0.0021117000000000 ] - [ -0.0017239600000000, -0.0021508500000000, 0.0250857500000000 ] - [ -0.0287782000000000, 0.0367817500000000, -0.1606316400000000 ] - [ 0.0001141500000000, 0.0001673400000000, -0.0010709400000000 ] - [ 0.0015647200000000, -0.0002710500000000, -0.0003467800000000 ] - [ -0.0011346800000000, -0.0013805800000000, -0.0001079500000000 ] - [ 0.0005681600000000, 0.0002414800000000, -0.0006386200000000 ] - [ -0.0007607400000000, -0.0007922700000000, -0.0069746600000000 ] - [ 0.0007710000000000, 0.0011315200000000, 0.0038350200000000 ] - [ 0.0009222200000000, -0.0005193500000000, 0.0034504100000000 ] - [ 0.0110896200000000, -0.0198489900000000, 0.0267245100000000 ] - [ -0.0007088900000000, -0.0012823200000000, -0.0002121500000000 ] - [ 0.0011939700000000, 0.0002599200000000, 0.0000981300000000 ] - [ -0.0008415400000000, 0.0012251000000000, 0.0002975700000000 ] - [ -0.0018206200000000, -0.0001548000000000, 0.0047552400000000 ] - [ -0.0002523300000000, -0.0002420700000000, 0.0012114400000000 ] - [ -0.0008714100000000, -0.0002466600000000, 0.0003271800000000 ] - [ 0.0048344200000000, -0.0085237700000000, 0.0114495000000000 ] - [ -0.0010780200000000, -0.0007351000000000, 0.0042360000000000 ] - [ 0.0001683100000000, 0.0001070000000000, 0.0008909800000000 ] - [ 0.0013821800000000, -0.0015444900000000, -0.0064384000000000 ] - [ 0.0005836100000000, -0.0004102100000000, -0.0038474700000000 ] - [ 0.0000556800000000, -0.0001812200000000, 0.0011955500000000 ] - [ 0.0000233300000000, -0.0000249100000000, 0.0012515400000000 ] - [ -0.0010854100000000, -0.0014988700000000, 0.0005260400000000 ] - [ 0.0006759800000000, -0.0007802400000000, 0.0003574100000000 ] - [ -0.0107284800000000, -0.0004543000000000, 0.0117034500000000 ] - [ 0.0020589000000000, -0.0001225500000000, 0.0000828800000000 ] - [ -0.0014413600000000, -0.0001137400000000, -0.0039841200000000 ] - [ 0.0011063800000000, 0.0003247500000000, -0.0034426900000000 ] - [ 0.0001664900000000, -0.0004600000000000, -0.0004313200000000 ] - [ 0.0007452300000000, -0.0011875000000000, -0.0044111200000000 ] - [ 0.0002442800000000, 0.0000356000000000, 0.0012216300000000 ] - [ -0.0001487100000000, 0.0001097300000000, 0.0063413000000000 ] - [ -0.0001585100000000, -0.0001706200000000, -0.0002042400000000 ] - [ -0.0002990900000000, 0.0007488900000000, 0.0001772900000000 ] - [ -0.0009065800000000, 0.0004723200000000, -0.0005953400000000 ] - [ 0.0107671200000000, 0.0155697800000000, 0.0180822200000000 ] - [ -0.0003189300000000, -0.0010846800000000, 0.0037564800000000 ] - [ 0.0004718200000000, 0.0004364000000000, 0.0039586400000000 ] - [ -0.0020669300000000, 0.0020550200000000, -0.0002810500000000 ] - [ 0.0013969600000000, 0.0009307300000000, -0.0003610100000000 ] - [ -0.0000501500000000, -0.0003417200000000, -0.0010760800000000 ] - [ -0.0001154700000000, -0.0002639400000000, -0.0010769000000000 ] - [ -0.0002184300000000, -0.0002817700000000, -0.0012342200000000 ] - [ -0.0000722100000000, 0.0002040400000000, -0.0005902200000000 ] - [ 0.0025762500000000, -0.0000509500000000, -0.0005270500000000 ] - [ -0.0159001200000000, 0.0016237200000000, 0.0124241700000000 ] - [ 0.0043029400000000, 0.0102801500000000, 0.0115989300000000 ] - [ -0.0008103700000000, 0.0011784600000000, 0.0003728400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007512100000000, -0.0017652700000000, -0.0027112800000000 ] - [ 0.0006109700000000, -0.0004496800000000, -0.0012243100000000 ] - [ -0.0001296700000000, 0.0010210200000000, 0.0116196200000000 ] - [ -0.0006144600000000, -0.0006534800000000, 0.0021185000000000 ] - [ 0.0028837300000000, -0.0049862100000000, -0.0053486000000000 ] - [ -0.0004878600000000, -0.0004298800000000, -0.0012932900000000 ] - [ -0.0017047700000000, -0.0037218000000000, 0.0078433700000000 ] - [ 0.0005061100000000, -0.0004546400000000, 0.0019185600000000 ] - [ -0.0005839400000000, -0.0003647000000000, 0.0015912200000000 ] - [ 0.0019427600000000, -0.0034820900000000, 0.0042885500000000 ] - [ 0.0006166800000000, -0.0006319300000000, -0.0010991800000000 ] - [ 0.0000605700000000, -0.0002253800000000, -0.0025083100000000 ] - [ 0.0022953900000000, 0.0039020800000000, 0.0028973100000000 ] - [ -0.0005322300000000, 0.0008308900000000, 0.0009187900000000 ] - [ 0.0003303800000000, 0.0000813100000000, 0.0013064100000000 ] - [ -0.0018406300000000, 0.0038101600000000, 0.0074323800000000 ] - [ -0.0005117800000000, -0.0004674100000000, -0.0027484600000000 ] - [ 0.0027287900000000, 0.0051483100000000, -0.0066093900000000 ] - [ -0.0006670700000000, 0.0008370700000000, 0.0028505200000000 ] - [ 0.0000822400000000, 0.0004904100000000, 0.0015504000000000 ] - [ -0.0034631000000000, -0.0014179700000000, -0.0251978900000000 ] - [ -0.0045284000000000, 0.0011799000000000, -0.0050236700000000 ] - [ -0.0004262900000000, -0.0000131400000000, -0.0015214000000000 ] - [ -0.0198522900000000, 0.0285821000000000, -0.0309526500000000 ] - [ 0.0004966900000000, -0.0002822700000000, 0.0016883900000000 ] - [ -0.0009604900000000, -0.0000930000000000, 0.0033191200000000 ] - [ -0.0032696800000000, 0.0041954600000000, -0.0214780400000000 ] - [ 0.0011053400000000, 0.0007592900000000, -0.0027816500000000 ] - [ -0.0046030400000000, 0.0005342900000000, 0.0034825100000000 ] - [ 0.0043956400000000, -0.0023965700000000, 0.0090037400000000 ] - [ 0.0006114200000000, -0.0004060000000000, -0.0014515100000000 ] - [ 0.0024714600000000, 0.0030875400000000, -0.0250574600000000 ] - [ 0.0295535700000000, -0.0382800000000000, 0.1616807500000000 ] - [ -0.0002431400000000, -0.0000777000000000, 0.0011948500000000 ] - [ -0.0011605800000000, 0.0010438300000000, 0.0006836400000000 ] - [ 0.0015537600000000, 0.0021534800000000, 0.0004461500000000 ] - [ -0.0000304200000000, 0.0002877000000000, 0.0012716300000000 ] - [ 0.0012980200000000, 0.0011878200000000, 0.0076358500000000 ] - [ -0.0009097000000000, -0.0016195100000000, -0.0034703000000000 ] - [ -0.0010351700000000, 0.0000271300000000, -0.0030748500000000 ] - [ -0.0108799100000000, 0.0194778800000000, -0.0268276800000000 ] - [ 0.0011251100000000, 0.0005185000000000, 0.0005457600000000 ] - [ -0.0006223100000000, -0.0005770500000000, -0.0002081200000000 ] - [ 0.0014232100000000, -0.0015433500000000, -0.0004053700000000 ] - [ 0.0012801100000000, -0.0003943200000000, -0.0041221400000000 ] - [ -0.0002884900000000, -0.0002963900000000, -0.0005795200000000 ] - [ 0.0004504800000000, 0.0010113200000000, -0.0000224600000000 ] - [ -0.0051639700000000, 0.0091605200000000, -0.0109893400000000 ] - [ 0.0009623400000000, 0.0012437600000000, -0.0038767100000000 ] - [ -0.0002924700000000, 0.0003893200000000, -0.0005229600000000 ] - [ -0.0007570200000000, 0.0009613600000000, 0.0070975600000000 ] - [ -0.0001130800000000, -0.0001643400000000, 0.0044798900000000 ] - [ 0.0000638000000000, 0.0002696300000000, -0.0010714200000000 ] - [ 0.0001034500000000, 0.0001125500000000, -0.0011259600000000 ] - [ 0.0006648900000000, 0.0007209500000000, -0.0002231200000000 ] - [ -0.0010841200000000, 0.0000066600000000, -0.0000504000000000 ] - [ 0.0104846500000000, 0.0009424500000000, -0.0123509200000000 ] - [ -0.0021496700000000, 0.0006146500000000, -0.0008906100000000 ] - [ 0.0016506300000000, 0.0006590900000000, 0.0043242500000000 ] - [ -0.0010227400000000, 0.0002020900000000, 0.0037978300000000 ] - [ -0.0000425900000000, -0.0000298900000000, 0.0007979000000000 ] - [ -0.0006208600000000, 0.0007501800000000, 0.0047695500000000 ] - [ -0.0001235200000000, -0.0001247900000000, -0.0010969800000000 ] - [ 0.0002798200000000, -0.0002003300000000, -0.0062121500000000 ] - [ 0.0000564800000000, -0.0003200700000000, -0.0005975500000000 ] - [ 0.0001984300000000, -0.0012385500000000, -0.0009903300000000 ] - [ 0.0003194700000000, -0.0007775000000000, 0.0004603800000000 ] - [ -0.0111825300000000, -0.0156228100000000, -0.0179581400000000 ] - [ -0.0002331400000000, 0.0016111600000000, -0.0031195700000000 ] - [ -0.0009982600000000, 0.0000962600000000, -0.0033169000000000 ] - [ 0.0014807800000000, -0.0017337200000000, 0.0001448800000000 ] - [ -0.0019696000000000, -0.0006190400000000, 0.0002257500000000 ] - [ -0.0000693900000000, 0.0002514500000000, 0.0011998400000000 ] - [ -0.0000205300000000, 0.0001722900000000, 0.0011989400000000 ] - [ 0.0003296800000000, 0.0007706600000000, 0.0004653000000000 ] - [ 0.0001717300000000, 0.0002831700000000, -0.0001986300000000 ] - [ -0.0024869700000000, -0.0004356300000000, -0.0002546800000000 ] - [ 0.0162309200000000, -0.0021176600000000, -0.0133431300000000 ] - [ -0.0037843000000000, -0.0101013100000000, -0.0118572600000000 ] - [ 0.0013918800000000, -0.0008702700000000, -0.0004858400000000 ]- atom: 35 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002387000000000, -0.0024462800000000, -0.0015197000000000 ] - [ -0.0012380600000000, 0.0013692200000000, 0.0015056100000000 ] - [ -0.0024173200000000, 0.0027293200000000, 0.0062092100000000 ] - [ -0.0031635600000000, -0.0046920900000000, -0.0048880400000000 ] - [ 0.0309245400000000, 0.0009586100000000, 0.0052255500000000 ] - [ -0.0094992900000000, -0.0007517100000000, 0.0033193200000000 ] - [ -0.0001312100000000, -0.0000541500000000, 0.0003971300000000 ] - [ -0.0004966200000000, -0.0000791900000000, -0.0000430400000000 ] - [ 0.0036020100000000, -0.0006995600000000, 0.0010185200000000 ] - [ -0.0024079600000000, 0.0005999000000000, 0.0000689700000000 ] - [ 0.0201827100000000, 0.0033117400000000, 0.0042780600000000 ] - [ -0.0082165500000000, -0.0005586600000000, -0.0025213100000000 ] - [ 0.0028538800000000, -0.0057538900000000, 0.0024316600000000 ] - [ -0.0035395100000000, 0.0052569200000000, -0.0048558400000000 ] - [ 0.0026643000000000, -0.0005182900000000, -0.0009611400000000 ] - [ -0.0027654900000000, -0.0003383400000000, -0.0007238700000000 ] - [ 0.0085105200000000, 0.0003129800000000, -0.0004884100000000 ] - [ -0.0040965100000000, -0.0005175000000000, -0.0011312600000000 ] - [ -0.0016204000000000, -0.0001395100000000, 0.0015320400000000 ] - [ -0.0012986200000000, 0.0039240300000000, -0.0021571200000000 ] - [ 0.0030003000000000, 0.0050309700000000, -0.0007799900000000 ] - [ -0.0028097900000000, -0.0035979100000000, 0.0025654900000000 ] - [ 0.0030860000000000, 0.0001146700000000, 0.0002212400000000 ] - [ -0.0021573000000000, 0.0000851200000000, -0.0002299400000000 ] - [ 0.0217521800000000, 0.0003016500000000, 0.0071548800000000 ] - [ -0.0051783900000000, 0.0002527800000000, 0.0003349200000000 ] - [ -0.0021146100000000, 0.0007787300000000, -0.0030592400000000 ] - [ -0.0017573100000000, -0.0033943900000000, 0.0021239400000000 ] - [ 0.0034542600000000, 0.0003205700000000, 0.0011877800000000 ] - [ -0.0026944600000000, -0.0009401800000000, -0.0001229900000000 ] - [ 0.0233277400000000, 0.0016580200000000, -0.0000404900000000 ] - [ -0.0075403700000000, 0.0000721700000000, -0.0020146700000000 ] - [ 0.0015610400000000, -0.0009894300000000, 0.0014330400000000 ] - [ -0.0012165300000000, 0.0020525200000000, -0.0012819300000000 ] - [ -0.1378459900000000, -0.0059355600000000, -0.0187869900000000 ] - [ 0.0051991800000000, 0.0003383400000000, 0.0002074400000000 ] - [ 0.0079984100000000, 0.0038608500000000, -0.0209954800000000 ] - [ 0.0039940400000000, -0.0000521100000000, 0.0029125500000000 ] - [ -0.0048876300000000, -0.0040399400000000, -0.0061237100000000 ] - [ 0.0026798800000000, 0.0001846500000000, 0.0010132500000000 ] - [ 0.0126714000000000, -0.0095831700000000, 0.0014012700000000 ] - [ 0.0124865200000000, 0.0093755200000000, -0.0009664900000000 ] - [ -0.0052378700000000, 0.0001273800000000, 0.0000473800000000 ] - [ 0.0049623200000000, -0.0004214500000000, -0.0002722500000000 ] - [ 0.0009046100000000, 0.0002906300000000, -0.0005798400000000 ] - [ -0.0012307400000000, -0.0011570300000000, 0.0012898900000000 ] - [ -0.0013745900000000, 0.0004335600000000, 0.0001186600000000 ] - [ 0.0008934300000000, 0.0004188300000000, 0.0002504000000000 ] - [ 0.0019093900000000, 0.0005294400000000, -0.0012714100000000 ] - [ 0.0044872800000000, -0.0003893200000000, 0.0106265200000000 ] - [ -0.0006261200000000, -0.0062000200000000, 0.0111344600000000 ] - [ 0.0038424900000000, 0.0001056700000000, -0.0003015000000000 ] - [ -0.0024256000000000, 0.0033293800000000, -0.0049409500000000 ] - [ 0.0023193400000000, -0.0006818200000000, 0.0007192400000000 ] - [ -0.0002186600000000, 0.0003674200000000, 0.0001772700000000 ] - [ 0.0002881500000000, -0.0007985000000000, 0.0001455400000000 ] - [ -0.0001844100000000, -0.0004405100000000, -0.0000798600000000 ] - [ 0.0005327900000000, 0.0006966900000000, -0.0005802600000000 ] - [ -0.0012703500000000, 0.0003792000000000, 0.0001426600000000 ] - [ 0.0014488600000000, 0.0002082800000000, -0.0000770500000000 ] - [ -0.0015938700000000, -0.0018390500000000, -0.0011412400000000 ] - [ 0.0016724100000000, 0.0009649700000000, 0.0015687200000000 ] - [ -0.0013283100000000, 0.0010082700000000, 0.0009371500000000 ] - [ 0.0013491400000000, -0.0005981200000000, -0.0008234900000000 ] - [ -0.0026376700000000, -0.0014200200000000, -0.0001150300000000 ] - [ 0.0015520300000000, -0.0001645400000000, -0.0005596800000000 ] - [ -0.0032307600000000, 0.0012512300000000, -0.0013192800000000 ] - [ 0.0013811300000000, -0.0001852900000000, 0.0003563100000000 ] - [ -0.0016761700000000, 0.0005133900000000, 0.0005329900000000 ] - [ 0.0010060400000000, 0.0001052000000000, 0.0003491600000000 ] - [ -0.0004058100000000, 0.0003347200000000, 0.0006613600000000 ] - [ 0.0018539700000000, -0.0001298600000000, -0.0005446300000000 ] - [ -0.0040146000000000, 0.0056474700000000, 0.0110285600000000 ] - [ 0.0032601000000000, -0.0001788100000000, -0.0008509600000000 ] - [ 0.0170300000000000, 0.0110940400000000, 0.0021763300000000 ] - [ 0.0164603300000000, -0.0107121100000000, -0.0002998600000000 ] - [ -0.0049611400000000, -0.0005167100000000, -0.0012312800000000 ] - [ 0.0043748100000000, -0.0001371200000000, -0.0000003200000000 ] - [ 0.0001307800000000, 0.0002600400000000, -0.0004008800000000 ] - [ 0.0001405400000000, 0.0000970300000000, 0.0002770000000000 ]- atom: 35 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006058000000000, 0.0021437800000000, 0.0014736500000000 ] - [ 0.0015653900000000, -0.0016859200000000, -0.0015509400000000 ] - [ 0.0020961100000000, -0.0030081500000000, -0.0061767700000000 ] - [ 0.0028058200000000, 0.0043762900000000, 0.0048746100000000 ] - [ -0.0282841000000000, -0.0010121800000000, -0.0028713400000000 ] - [ 0.0095955400000000, 0.0006775700000000, -0.0026538400000000 ] - [ 0.0000425900000000, -0.0000175100000000, 0.0002969900000000 ] - [ 0.0003800400000000, 0.0000079600000000, 0.0007320600000000 ] - [ -0.0037167100000000, 0.0007747800000000, -0.0003368600000000 ] - [ 0.0023000500000000, -0.0005296900000000, 0.0006240600000000 ] - [ -0.0197015100000000, -0.0036305300000000, -0.0036362200000000 ] - [ 0.0088273900000000, -0.0001510700000000, 0.0028761600000000 ] - [ -0.0028913500000000, 0.0066464900000000, -0.0039648000000000 ] - [ 0.0034204500000000, -0.0043365800000000, 0.0033176100000000 ] - [ -0.0028081200000000, -0.0004030700000000, -0.0006259400000000 ] - [ 0.0026647700000000, -0.0005890900000000, -0.0008197900000000 ] - [ -0.0084227100000000, -0.0012509300000000, -0.0010548400000000 ] - [ 0.0041920800000000, -0.0004131500000000, -0.0004338500000000 ] - [ 0.0010130000000000, 0.0008389800000000, -0.0011456700000000 ] - [ 0.0006542000000000, -0.0032159700000000, 0.0025324000000000 ] - [ -0.0023090200000000, -0.0042972700000000, 0.0011458600000000 ] - [ 0.0034284500000000, 0.0043179700000000, -0.0022013100000000 ] - [ -0.0027566100000000, 0.0002015000000000, -0.0002507700000000 ] - [ 0.0024959400000000, 0.0002295600000000, 0.0001868300000000 ] - [ -0.0218914000000000, -0.0000078300000000, -0.0064894500000000 ] - [ 0.0048288700000000, 0.0000615500000000, -0.0003574400000000 ] - [ 0.0022459300000000, 0.0001543600000000, 0.0015025800000000 ] - [ 0.0018486600000000, 0.0043238200000000, -0.0036782700000000 ] - [ -0.0040994100000000, -0.0010346700000000, -0.0008209300000000 ] - [ 0.0020608700000000, 0.0002368600000000, 0.0005061000000000 ] - [ -0.0232927300000000, -0.0019962200000000, 0.0010511300000000 ] - [ 0.0076215900000000, 0.0000021600000000, 0.0026763400000000 ] - [ -0.0016948300000000, 0.0010732900000000, -0.0012924500000000 ] - [ 0.0011052300000000, -0.0019661200000000, 0.0014064400000000 ] - [ 0.1360043100000000, 0.0067038700000000, 0.0159711700000000 ] - [ -0.0047732700000000, 0.0004306500000000, 0.0001107400000000 ] - [ -0.0074865100000000, -0.0033361400000000, 0.0218249500000000 ] - [ -0.0034494600000000, 0.0005850100000000, -0.0022554100000000 ] - [ 0.0046973600000000, 0.0035487300000000, 0.0064990000000000 ] - [ -0.0027989300000000, -0.0006804500000000, -0.0006525500000000 ] - [ -0.0120572200000000, 0.0086341400000000, -0.0010656500000000 ] - [ -0.0122418900000000, -0.0102921600000000, 0.0012936300000000 ] - [ 0.0058006800000000, -0.0005366600000000, -0.0001525000000000 ] - [ -0.0043771000000000, 0.0001241500000000, 0.0001438800000000 ] - [ -0.0014536700000000, -0.0008252700000000, 0.0012026400000000 ] - [ 0.0007018900000000, 0.0006213200000000, -0.0006560800000000 ] - [ 0.0009631100000000, 0.0003359400000000, 0.0001992400000000 ] - [ -0.0013105000000000, 0.0003511000000000, 0.0000673400000000 ] - [ -0.0020356000000000, -0.0000321500000000, 0.0016207500000000 ] - [ -0.0046201600000000, 0.0008901100000000, -0.0103347000000000 ] - [ 0.0010949200000000, 0.0056487000000000, -0.0104897700000000 ] - [ -0.0032950100000000, -0.0006404500000000, 0.0009435900000000 ] - [ 0.0025086600000000, -0.0032266000000000, 0.0050566700000000 ] - [ -0.0021905100000000, 0.0007713500000000, -0.0006024000000000 ] - [ -0.0002041200000000, -0.0011405400000000, 0.0001407800000000 ] - [ -0.0006982800000000, 0.0000292900000000, 0.0001741800000000 ] - [ 0.0000748200000000, 0.0009339500000000, -0.0007119700000000 ] - [ -0.0006293600000000, -0.0002078800000000, -0.0002170000000000 ] - [ 0.0013835700000000, 0.0001164100000000, 0.0002175400000000 ] - [ -0.0013222000000000, 0.0002858000000000, 0.0004480700000000 ] - [ 0.0017294200000000, 0.0013444000000000, 0.0015062200000000 ] - [ -0.0015557700000000, -0.0014516400000000, -0.0011856200000000 ] - [ 0.0014621500000000, -0.0010978600000000, -0.0008130500000000 ] - [ -0.0012307600000000, 0.0005045100000000, 0.0009366700000000 ] - [ 0.0025418300000000, 0.0009322000000000, -0.0006804400000000 ] - [ -0.0016558900000000, -0.0003226400000000, -0.0002359300000000 ] - [ 0.0026577500000000, -0.0015649700000000, 0.0012020700000000 ] - [ -0.0019628600000000, -0.0001284000000000, -0.0004751600000000 ] - [ 0.0011301600000000, 0.0000215500000000, 0.0001102200000000 ] - [ -0.0015423000000000, 0.0004315600000000, 0.0002784200000000 ] - [ -0.0001839000000000, -0.0000206400000000, -0.0007868400000000 ] - [ -0.0024301700000000, 0.0004423500000000, 0.0004240500000000 ] - [ 0.0038004200000000, -0.0057584700000000, -0.0109386100000000 ] - [ -0.0033781300000000, 0.0000907600000000, 0.0009829200000000 ] - [ -0.0166800400000000, -0.0104019900000000, -0.0029527800000000 ] - [ -0.0165817600000000, 0.0113770500000000, -0.0004973800000000 ] - [ 0.0050477900000000, 0.0000908500000000, 0.0004270000000000 ] - [ -0.0042682000000000, -0.0003649400000000, -0.0007941400000000 ] - [ 0.0004249700000000, 0.0000501400000000, 0.0002775500000000 ] - [ 0.0004595000000000, 0.0002130000000000, -0.0004026200000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0022488000000000, -0.0047994200000000, -0.0015103800000000 ] - [ 0.0011836700000000, -0.0006061800000000, -0.0009031500000000 ] - [ 0.0048708200000000, 0.0000587300000000, -0.0030115600000000 ] - [ -0.0021167400000000, 0.0005640200000000, -0.0038118100000000 ] - [ 0.0013494500000000, 0.0225939600000000, 0.0001257900000000 ] - [ -0.0002251200000000, 0.0060703100000000, -0.0004335600000000 ] - [ -0.0003443400000000, -0.0027283400000000, 0.0006090500000000 ] - [ -0.0000998000000000, -0.0018271700000000, 0.0003772600000000 ] - [ 0.0014699900000000, -0.0023703000000000, 0.0022660800000000 ] - [ -0.0002781300000000, -0.0003443900000000, 0.0007332800000000 ] - [ 0.0049529700000000, 0.0132361900000000, -0.0064383900000000 ] - [ -0.0020667800000000, 0.0006507900000000, -0.0018426800000000 ] - [ -0.0067098300000000, -0.0051790100000000, 0.0028321100000000 ] - [ 0.0016228600000000, -0.0024577300000000, 0.0015175000000000 ] - [ 0.0007527500000000, -0.0118346500000000, -0.0013188700000000 ] - [ -0.0000374900000000, -0.0028986500000000, -0.0009021700000000 ] - [ 0.0007429900000000, 0.0064500100000000, -0.0009619900000000 ] - [ 0.0000304400000000, 0.0007320100000000, -0.0007149900000000 ] - [ -0.0028026800000000, 0.0025647400000000, 0.0015478600000000 ] - [ 0.0002045200000000, 0.0016613300000000, 0.0004518200000000 ] - [ 0.0048961200000000, -0.0064899400000000, 0.0020909000000000 ] - [ -0.0009727200000000, -0.0030672900000000, 0.0013125500000000 ] - [ -0.0002015900000000, -0.0036923600000000, 0.0006239800000000 ] - [ 0.0003291000000000, -0.0017099400000000, 0.0001119700000000 ] - [ -0.0001509900000000, 0.0199746500000000, -0.0051282500000000 ] - [ -0.0001104100000000, 0.0017874000000000, 0.0003026100000000 ] - [ 0.0040898800000000, 0.0017112200000000, 0.0022629800000000 ] - [ -0.0006188600000000, 0.0011741400000000, -0.0002780900000000 ] - [ -0.0019841000000000, -0.0039385000000000, -0.0015989900000000 ] - [ -0.0001006100000000, -0.0008839500000000, 0.0000366100000000 ] - [ 0.0006181500000000, 0.0220092700000000, -0.0002959700000000 ] - [ 0.0024066800000000, 0.0015466600000000, 0.0018713100000000 ] - [ -0.0015216400000000, 0.0014478800000000, -0.0005969500000000 ] - [ 0.0014953600000000, 0.0012390800000000, -0.0016966600000000 ] - [ -0.0052719500000000, -0.1302218700000000, 0.0097193700000000 ] - [ 0.0001575600000000, -0.0018701600000000, 0.0002206900000000 ] - [ 0.0015294900000000, -0.0064264600000000, -0.0011081700000000 ] - [ -0.0002763100000000, -0.0022675100000000, 0.0004729300000000 ] - [ -0.0027129000000000, 0.0037678900000000, 0.0115879700000000 ] - [ 0.0002566000000000, -0.0006184400000000, 0.0006530100000000 ] - [ -0.0096011500000000, 0.0020485800000000, -0.0005835200000000 ] - [ 0.0092782100000000, 0.0020377800000000, -0.0003317100000000 ] - [ -0.0001482200000000, 0.0273609000000000, -0.0042974500000000 ] - [ 0.0004150500000000, 0.0013090600000000, -0.0005239400000000 ] - [ 0.0007855100000000, 0.0007878500000000, -0.0000962000000000 ] - [ -0.0013210100000000, 0.0007137900000000, -0.0009216100000000 ] - [ -0.0002563700000000, 0.0016565200000000, 0.0000535200000000 ] - [ -0.0002423400000000, 0.0012474200000000, 0.0000775000000000 ] - [ -0.0004191700000000, -0.0017729900000000, 0.0005120200000000 ] - [ -0.0000962300000000, -0.0038929800000000, 0.0008729200000000 ] - [ -0.0084818900000000, 0.0032403900000000, -0.0174272300000000 ] - [ 0.0008626400000000, -0.0010600800000000, -0.0005366500000000 ] - [ 0.0030613100000000, 0.0017070600000000, -0.0088000200000000 ] - [ -0.0002305600000000, -0.0004083700000000, -0.0005676800000000 ] - [ 0.0005472900000000, 0.0013612200000000, -0.0001572200000000 ] - [ -0.0006230900000000, -0.0001710700000000, 0.0000826300000000 ] - [ -0.0006752600000000, 0.0022974500000000, -0.0007070800000000 ] - [ 0.0003005800000000, 0.0006230700000000, -0.0005602100000000 ] - [ -0.0003115800000000, 0.0042191900000000, -0.0007830000000000 ] - [ -0.0000602500000000, 0.0013613500000000, 0.0000150700000000 ] - [ -0.0013462300000000, 0.0015536400000000, 0.0021312700000000 ] - [ 0.0009277500000000, 0.0011415700000000, 0.0009242200000000 ] - [ 0.0009094800000000, 0.0014840200000000, 0.0011663500000000 ] - [ -0.0006677500000000, 0.0011050700000000, 0.0004550900000000 ] - [ -0.0012473800000000, -0.0011224700000000, -0.0003464000000000 ] - [ 0.0000380600000000, -0.0007451400000000, -0.0004827600000000 ] - [ 0.0008452000000000, -0.0006378300000000, -0.0001210500000000 ] - [ -0.0004398600000000, -0.0005051400000000, -0.0001625300000000 ] - [ 0.0000369000000000, 0.0036778800000000, -0.0010904400000000 ] - [ -0.0003388500000000, 0.0011430100000000, 0.0001446900000000 ] - [ -0.0002118500000000, -0.0033339700000000, -0.0005610600000000 ] - [ -0.0001402000000000, -0.0005070600000000, -0.0003395100000000 ] - [ 0.0058752600000000, 0.0044322300000000, 0.0197895700000000 ] - [ -0.0006707200000000, -0.0008927900000000, 0.0009637800000000 ] - [ 0.0120158600000000, 0.0024296300000000, 0.0015309300000000 ] - [ -0.0108038300000000, 0.0020373900000000, 0.0003491700000000 ] - [ -0.0002818600000000, 0.0226074900000000, 0.0004067400000000 ] - [ -0.0001265800000000, 0.0012383700000000, -0.0002707800000000 ] - [ 0.0006886200000000, 0.0036465400000000, 0.0004941100000000 ] - [ 0.0000469200000000, 0.0035734200000000, 0.0005234300000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0025833700000000, 0.0045016000000000, 0.0014684600000000 ] - [ -0.0008370100000000, 0.0002995400000000, 0.0008618400000000 ] - [ -0.0051893100000000, -0.0004058700000000, 0.0029629400000000 ] - [ 0.0017864800000000, -0.0008943000000000, 0.0037955700000000 ] - [ -0.0014095100000000, -0.0226820900000000, 0.0005628700000000 ] - [ 0.0003284800000000, -0.0061444600000000, 0.0011048800000000 ] - [ 0.0002300700000000, 0.0026552700000000, 0.0000849100000000 ] - [ -0.0000009700000000, 0.0017551400000000, 0.0003168400000000 ] - [ -0.0015844600000000, 0.0024587400000000, -0.0015716500000000 ] - [ 0.0001749400000000, 0.0004204300000000, -0.0000427800000000 ] - [ -0.0050528900000000, -0.0126072800000000, 0.0075930300000000 ] - [ 0.0027207600000000, -0.0013530100000000, 0.0022301500000000 ] - [ 0.0065472700000000, 0.0061405800000000, -0.0043661500000000 ] - [ -0.0017100600000000, 0.0033981000000000, -0.0030695300000000 ] - [ -0.0008176000000000, 0.0109069400000000, -0.0001821700000000 ] - [ -0.0000653500000000, 0.0019692700000000, -0.0006489600000000 ] - [ -0.0006282500000000, -0.0073791900000000, -0.0005870400000000 ] - [ 0.0000717400000000, -0.0016607200000000, -0.0008414400000000 ] - [ 0.0021736200000000, -0.0018511000000000, -0.0011791900000000 ] - [ -0.0008379000000000, -0.0009358600000000, -0.0000739200000000 ] - [ -0.0043216800000000, 0.0071746900000000, -0.0017346600000000 ] - [ 0.0016201300000000, 0.0037686000000000, -0.0009391800000000 ] - [ 0.0005423300000000, 0.0040070300000000, -0.0006834300000000 ] - [ 0.0000123000000000, 0.0020247900000000, -0.0001512300000000 ] - [ -0.0002569000000000, -0.0197186700000000, 0.0058054600000000 ] - [ -0.0002187400000000, -0.0014718000000000, -0.0003369400000000 ] - [ -0.0039869800000000, -0.0007814300000000, -0.0038149300000000 ] - [ 0.0007156600000000, -0.0002677800000000, -0.0012747900000000 ] - [ 0.0013410100000000, 0.0032099400000000, 0.0019720800000000 ] - [ -0.0005275300000000, 0.0001750000000000, 0.0003428700000000 ] - [ -0.0014302200000000, -0.0234884800000000, 0.0021603000000000 ] - [ -0.0022859300000000, -0.0014774900000000, -0.0011780500000000 ] - [ 0.0013973100000000, -0.0013524700000000, 0.0007176100000000 ] - [ -0.0016309900000000, -0.0011437000000000, 0.0018372000000000 ] - [ 0.0073649700000000, 0.1311821500000000, -0.0121572700000000 ] - [ 0.0002499800000000, 0.0026413300000000, 0.0000954800000000 ] - [ -0.0009344200000000, 0.0069916000000000, 0.0016698300000000 ] - [ 0.0008099900000000, 0.0028077300000000, 0.0001522600000000 ] - [ 0.0026323700000000, -0.0042267000000000, -0.0112698000000000 ] - [ -0.0003811500000000, 0.0001286900000000, -0.0002881400000000 ] - [ 0.0100652900000000, -0.0027932500000000, 0.0008945500000000 ] - [ -0.0089377100000000, -0.0028045000000000, 0.0006514800000000 ] - [ 0.0007404900000000, -0.0272364300000000, 0.0041184500000000 ] - [ 0.0001594200000000, -0.0016244100000000, 0.0004033600000000 ] - [ -0.0013251300000000, -0.0013291400000000, 0.0007283500000000 ] - [ 0.0007754100000000, -0.0012560000000000, 0.0015425500000000 ] - [ -0.0001585300000000, -0.0008848200000000, 0.0002638700000000 ] - [ -0.0001743900000000, -0.0004765900000000, 0.0002398000000000 ] - [ 0.0002871800000000, 0.0022667900000000, -0.0001388300000000 ] - [ -0.0000054300000000, 0.0043872000000000, -0.0004953600000000 ] - [ 0.0090848300000000, -0.0037689000000000, 0.0181906500000000 ] - [ -0.0003230900000000, 0.0005307300000000, 0.0011741500000000 ] - [ -0.0029008900000000, -0.0016471400000000, 0.0088829000000000 ] - [ 0.0003526300000000, 0.0004927800000000, 0.0006901600000000 ] - [ -0.0009607200000000, -0.0021348100000000, 0.0004777100000000 ] - [ 0.0002047700000000, -0.0006009400000000, 0.0002365000000000 ] - [ 0.0005742600000000, -0.0018014800000000, -0.0000867500000000 ] - [ -0.0004043000000000, -0.0001303600000000, -0.0002363900000000 ] - [ 0.0004449700000000, -0.0037283600000000, 0.0011704900000000 ] - [ 0.0001768300000000, -0.0008660100000000, 0.0003548000000000 ] - [ 0.0014592200000000, -0.0020501500000000, -0.0017496900000000 ] - [ -0.0008056600000000, -0.0016426200000000, -0.0005611200000000 ] - [ -0.0007868000000000, -0.0015636000000000, -0.0010536500000000 ] - [ 0.0007905000000000, -0.0011876800000000, -0.0003318200000000 ] - [ 0.0011465200000000, 0.0006272200000000, -0.0004489000000000 ] - [ -0.0001396900000000, 0.0002536200000000, -0.0003119400000000 ] - [ -0.0014253700000000, 0.0003345800000000, -0.0000009400000000 ] - [ -0.0001397600000000, 0.0001967600000000, 0.0000411500000000 ] - [ -0.0005640400000000, -0.0031385300000000, 0.0016952300000000 ] - [ -0.0002055000000000, -0.0006060900000000, 0.0004851000000000 ] - [ -0.0003659200000000, 0.0036477700000000, 0.0004456200000000 ] - [ -0.0004325400000000, 0.0008186100000000, 0.0002154800000000 ] - [ -0.0059603500000000, -0.0045616300000000, -0.0195341400000000 ] - [ 0.0005453400000000, 0.0008017700000000, -0.0008373200000000 ] - [ -0.0118681800000000, -0.0019787600000000, -0.0023364300000000 ] - [ 0.0108384200000000, -0.0015595900000000, -0.0011399000000000 ] - [ 0.0003968800000000, -0.0234395600000000, -0.0011919700000000 ] - [ 0.0002221900000000, -0.0017240200000000, -0.0005243200000000 ] - [ -0.0000831300000000, -0.0033349400000000, -0.0006189600000000 ] - [ 0.0005069400000000, -0.0032622700000000, -0.0006472200000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0045835300000000, -0.0062167500000000, -0.0024181400000000 ] - [ 0.0013589000000000, -0.0009346000000000, -0.0009090500000000 ] - [ 0.0081077100000000, -0.0029662300000000, 0.0018228900000000 ] - [ -0.0050218200000000, -0.0054018200000000, 0.0018423100000000 ] - [ 0.0076184700000000, -0.0005532100000000, 0.0290676200000000 ] - [ 0.0048437100000000, -0.0005093900000000, 0.0066579900000000 ] - [ 0.0005803800000000, -0.0002742900000000, -0.0016300400000000 ] - [ -0.0006881400000000, -0.0001218900000000, -0.0016304600000000 ] - [ -0.0023610300000000, 0.0029420100000000, -0.0049719300000000 ] - [ 0.0001732300000000, 0.0001750200000000, -0.0011366100000000 ] - [ 0.0024546500000000, -0.0028394800000000, 0.0213056900000000 ] - [ 0.0000529100000000, -0.0008515200000000, 0.0022013800000000 ] - [ 0.0038373200000000, 0.0043429100000000, 0.0032164200000000 ] - [ -0.0009394300000000, 0.0009749500000000, 0.0006356800000000 ] - [ -0.0009189500000000, 0.0000099200000000, 0.0006949800000000 ] - [ 0.0003585600000000, -0.0004091900000000, 0.0005124200000000 ] - [ 0.0007584000000000, -0.0000166900000000, -0.0134541700000000 ] - [ 0.0000413100000000, -0.0007446800000000, -0.0025279900000000 ] - [ 0.0030995000000000, -0.0002191000000000, -0.0057718000000000 ] - [ -0.0026438400000000, 0.0036729300000000, -0.0056199000000000 ] - [ -0.0013418800000000, 0.0039174100000000, 0.0058636300000000 ] - [ 0.0006463800000000, 0.0005145800000000, 0.0024881100000000 ] - [ 0.0006562500000000, 0.0003839600000000, -0.0013319600000000 ] - [ -0.0002400200000000, 0.0003938700000000, -0.0010629100000000 ] - [ 0.0047101900000000, -0.0024307900000000, 0.1129519400000000 ] - [ -0.0000696100000000, 0.0003818700000000, 0.0010854000000000 ] - [ -0.0054256500000000, 0.0012595900000000, -0.0073372800000000 ] - [ 0.0029925500000000, 0.0047218800000000, -0.0061771900000000 ] - [ -0.0032927700000000, -0.0040403400000000, -0.0070480600000000 ] - [ -0.0002381200000000, -0.0004513300000000, -0.0015339900000000 ] - [ -0.0015703700000000, -0.0042327700000000, 0.0267210500000000 ] - [ 0.0000418000000000, 0.0003072200000000, 0.0028610900000000 ] - [ 0.0021316200000000, -0.0011833500000000, -0.0004621600000000 ] - [ -0.0011211600000000, -0.0021211400000000, -0.0002252500000000 ] - [ -0.0170493700000000, 0.0112609200000000, -0.2651759000000000 ] - [ 0.0002560700000000, 0.0004490000000000, -0.0013020500000000 ] - [ -0.0218154800000000, -0.0042733000000000, 0.0220218500000000 ] - [ 0.0027755800000000, 0.0005649800000000, -0.0000524000000000 ] - [ -0.0049113400000000, 0.0121110600000000, 0.0152738000000000 ] - [ 0.0010178200000000, 0.0004777000000000, 0.0003940500000000 ] - [ -0.0009614900000000, 0.0001306000000000, -0.0053432600000000 ] - [ 0.0014780200000000, 0.0003758300000000, -0.0053400900000000 ] - [ 0.0004119600000000, -0.0045624600000000, -0.0045397800000000 ] - [ 0.0004108600000000, -0.0000472400000000, -0.0007867900000000 ] - [ -0.0016954100000000, -0.0011253800000000, 0.0007774800000000 ] - [ 0.0006064600000000, -0.0010989500000000, 0.0008978500000000 ] - [ -0.0001691400000000, 0.0002796600000000, 0.0020050200000000 ] - [ -0.0002972600000000, 0.0003037800000000, 0.0011849100000000 ] - [ -0.0025197600000000, -0.0000245600000000, 0.0003082500000000 ] - [ 0.0106796800000000, 0.0001024200000000, 0.0108109000000000 ] - [ 0.0143294300000000, -0.0162924300000000, 0.0220702400000000 ] - [ -0.0014744300000000, -0.0013064800000000, -0.0006431100000000 ] - [ -0.0046543500000000, -0.0085099400000000, 0.0112080500000000 ] - [ 0.0011360000000000, -0.0007097500000000, 0.0002429100000000 ] - [ -0.0002197000000000, -0.0000573600000000, 0.0054178900000000 ] - [ -0.0001946200000000, -0.0003063000000000, 0.0013469800000000 ] - [ -0.0007469200000000, -0.0000672700000000, 0.0042878300000000 ] - [ -0.0001736600000000, -0.0000846100000000, 0.0007836100000000 ] - [ 0.0001660400000000, 0.0006269900000000, -0.0002776400000000 ] - [ -0.0001809300000000, 0.0001730500000000, 0.0001784000000000 ] - [ -0.0014080000000000, 0.0015099000000000, 0.0004141300000000 ] - [ 0.0011455100000000, 0.0003543400000000, -0.0000710900000000 ] - [ 0.0013118300000000, 0.0015418300000000, 0.0004433400000000 ] - [ -0.0008399600000000, 0.0005242800000000, 0.0002717500000000 ] - [ -0.0006694100000000, 0.0002791900000000, 0.0046027200000000 ] - [ -0.0001463100000000, 0.0000784100000000, 0.0008765900000000 ] - [ 0.0003213300000000, -0.0017562200000000, 0.0053050700000000 ] - [ -0.0000105300000000, -0.0005022400000000, 0.0011897600000000 ] - [ -0.0004500600000000, -0.0001726600000000, 0.0010496900000000 ] - [ -0.0002503400000000, 0.0001821900000000, 0.0005271700000000 ] - [ 0.0008916800000000, 0.0008120400000000, 0.0055835100000000 ] - [ -0.0008966500000000, 0.0007977800000000, 0.0037123000000000 ] - [ 0.0115685700000000, 0.0201370400000000, 0.0270229300000000 ] - [ -0.0006281000000000, 0.0006432200000000, -0.0003245300000000 ] - [ -0.0011024200000000, 0.0005436200000000, -0.0056918100000000 ] - [ 0.0009587800000000, 0.0007383400000000, -0.0057973200000000 ] - [ -0.0007962000000000, -0.0008601300000000, -0.0057869300000000 ] - [ 0.0000591900000000, -0.0004346600000000, -0.0014437900000000 ] - [ -0.0000043400000000, -0.0001831000000000, -0.0011652500000000 ] - [ 0.0007338900000000, -0.0001026900000000, -0.0011469300000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0049193300000000, 0.0059046900000000, 0.0024190100000000 ] - [ -0.0010204400000000, 0.0006182300000000, 0.0008899800000000 ] - [ -0.0085267300000000, 0.0026901100000000, -0.0019185100000000 ] - [ 0.0047381100000000, 0.0051402900000000, -0.0019333700000000 ] - [ -0.0064783100000000, 0.0004732900000000, -0.0279414500000000 ] - [ -0.0047641000000000, 0.0004296000000000, -0.0059285300000000 ] - [ -0.0006992500000000, 0.0002015900000000, 0.0023168300000000 ] - [ 0.0005896800000000, 0.0000513800000000, 0.0023235200000000 ] - [ 0.0022774500000000, -0.0029073300000000, 0.0056796600000000 ] - [ -0.0002825900000000, -0.0001066900000000, 0.0018269800000000 ] - [ -0.0020994100000000, 0.0026662400000000, -0.0207113700000000 ] - [ 0.0006005500000000, 0.0001457100000000, -0.0017926000000000 ] - [ -0.0039568900000000, -0.0034418000000000, -0.0048597700000000 ] - [ 0.0008370800000000, -0.0000345200000000, -0.0022409000000000 ] - [ 0.0007932100000000, -0.0009366000000000, -0.0023217900000000 ] - [ -0.0004602500000000, -0.0005202400000000, -0.0020961400000000 ] - [ -0.0006508800000000, -0.0009075000000000, 0.0119368800000000 ] - [ 0.0000651300000000, -0.0001858900000000, 0.0009908300000000 ] - [ -0.0037742000000000, 0.0009242400000000, 0.0061747200000000 ] - [ 0.0020395600000000, -0.0030000700000000, 0.0060240500000000 ] - [ 0.0019930100000000, -0.0032267100000000, -0.0054426800000000 ] - [ -0.0000225300000000, 0.0001794900000000, -0.0020862600000000 ] - [ -0.0003116000000000, -0.0000706800000000, 0.0013188400000000 ] - [ 0.0005769400000000, -0.0000784100000000, 0.0010373500000000 ] - [ -0.0056105600000000, 0.0031589200000000, -0.1214628200000000 ] - [ -0.0002687600000000, -0.0000706900000000, -0.0011520100000000 ] - [ 0.0055163200000000, -0.0003353500000000, 0.0058071700000000 ] - [ -0.0028861000000000, -0.0037776600000000, 0.0046415700000000 ] - [ 0.0026834200000000, 0.0033720000000000, 0.0074583800000000 ] - [ -0.0003940400000000, -0.0002510500000000, 0.0019139000000000 ] - [ 0.0012433100000000, 0.0034921200000000, -0.0256397400000000 ] - [ 0.0000807800000000, -0.0002354600000000, -0.0021453400000000 ] - [ -0.0022473900000000, 0.0012707600000000, 0.0005683600000000 ] - [ 0.0010003700000000, 0.0022090400000000, 0.0003289300000000 ] - [ 0.0176892900000000, -0.0106239700000000, 0.2724877300000000 ] - [ 0.0001588700000000, 0.0003238600000000, 0.0016225400000000 ] - [ 0.0220309200000000, 0.0047731600000000, -0.0211452000000000 ] - [ -0.0022387800000000, -0.0000248200000000, 0.0006636000000000 ] - [ 0.0048764300000000, -0.0128055900000000, -0.0151292400000000 ] - [ -0.0011487400000000, -0.0009802200000000, -0.0000175000000000 ] - [ 0.0012982700000000, -0.0008527800000000, 0.0056843900000000 ] - [ -0.0009882000000000, -0.0011025900000000, 0.0056875500000000 ] - [ 0.0001697800000000, 0.0041677600000000, 0.0044885900000000 ] - [ 0.0001677100000000, -0.0002745500000000, 0.0006747900000000 ] - [ 0.0011714600000000, 0.0005990000000000, -0.0001330500000000 ] - [ -0.0011557300000000, 0.0005754300000000, -0.0002515300000000 ] - [ -0.0002497400000000, 0.0004901700000000, -0.0016952700000000 ] - [ -0.0001139700000000, 0.0004661800000000, -0.0008717100000000 ] - [ 0.0024260800000000, 0.0005194300000000, 0.0000719600000000 ] - [ -0.0109671900000000, 0.0003840500000000, -0.0105831700000000 ] - [ -0.0136268400000000, 0.0155091600000000, -0.0212123500000000 ] - [ 0.0020077100000000, 0.0007642400000000, 0.0012583600000000 ] - [ 0.0048633200000000, 0.0087418100000000, -0.0112309900000000 ] - [ -0.0010219500000000, 0.0008080200000000, -0.0001069800000000 ] - [ -0.0001826700000000, -0.0006926800000000, -0.0051077800000000 ] - [ -0.0002234600000000, -0.0004607000000000, -0.0010328000000000 ] - [ 0.0006570400000000, 0.0005429700000000, -0.0050984600000000 ] - [ 0.0000699000000000, 0.0005716400000000, -0.0015846500000000 ] - [ -0.0000466700000000, -0.0001239200000000, 0.0006235100000000 ] - [ 0.0003056000000000, 0.0003223800000000, 0.0001815400000000 ] - [ 0.0015301300000000, -0.0020094900000000, -0.0000644100000000 ] - [ -0.0010173500000000, -0.0008526600000000, 0.0004221200000000 ] - [ -0.0011996700000000, -0.0016473100000000, -0.0003058800000000 ] - [ 0.0009741400000000, -0.0006180600000000, -0.0001365200000000 ] - [ 0.0005620700000000, -0.0007636300000000, -0.0054202400000000 ] - [ 0.0000499300000000, -0.0005669200000000, -0.0016779200000000 ] - [ -0.0009080500000000, 0.0014420600000000, -0.0054484100000000 ] - [ -0.0005662700000000, 0.0001907800000000, -0.0013187800000000 ] - [ -0.0000953700000000, 0.0007105100000000, -0.0003950400000000 ] - [ -0.0002899200000000, 0.0003534200000000, 0.0001123800000000 ] - [ -0.0014664700000000, -0.0005054200000000, -0.0057261300000000 ] - [ 0.0003006400000000, -0.0004858700000000, -0.0038448500000000 ] - [ -0.0115086600000000, -0.0198941600000000, -0.0265286800000000 ] - [ 0.0005048000000000, -0.0007285700000000, 0.0004334100000000 ] - [ 0.0010959900000000, -0.0001139200000000, 0.0049002600000000 ] - [ -0.0007606200000000, -0.0003037800000000, 0.0050276600000000 ] - [ 0.0008991200000000, 0.0004733900000000, 0.0050090600000000 ] - [ 0.0000416500000000, -0.0000484900000000, 0.0006468700000000 ] - [ 0.0005746100000000, 0.0004947400000000, 0.0010528100000000 ] - [ -0.0001493400000000, 0.0004148400000000, 0.0010347100000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0044713600000000, -0.0060249700000000, -0.0028139000000000 ] - [ 0.0025642100000000, 0.0063315300000000, 0.0022429300000000 ] - [ -0.0025680200000000, 0.0004618000000000, 0.0009451800000000 ] - [ 0.0020751200000000, 0.0000516000000000, -0.0040601900000000 ] - [ -0.0106617100000000, -0.0002292600000000, 0.0048698600000000 ] - [ 0.0147567800000000, 0.0010847400000000, -0.0006517800000000 ] - [ -0.0019304500000000, -0.0001568900000000, -0.0004243000000000 ] - [ 0.0018737600000000, 0.0000115300000000, 0.0006141800000000 ] - [ 0.0012879500000000, -0.0015290300000000, -0.0006419900000000 ] - [ -0.0018218900000000, 0.0009244700000000, 0.0005069800000000 ] - [ 0.0163397000000000, -0.0118201300000000, 0.0084183800000000 ] - [ -0.0069958800000000, 0.0007530500000000, -0.0018860300000000 ] - [ -0.0014040400000000, -0.0010661500000000, 0.0001034900000000 ] - [ -0.0007743300000000, 0.0030899100000000, -0.0031648700000000 ] - [ 0.0031359600000000, -0.0004700500000000, -0.0003592000000000 ] - [ -0.0025615800000000, -0.0008258000000000, -0.0016541300000000 ] - [ 0.0107419500000000, -0.0019755600000000, -0.0094196800000000 ] - [ -0.0087361200000000, 0.0004505700000000, 0.0025604700000000 ] - [ -0.0037113700000000, -0.0003512100000000, -0.0007973700000000 ] - [ 0.0053009400000000, 0.0029758800000000, 0.0020595300000000 ] - [ -0.0027704800000000, 0.0052967000000000, 0.0038119400000000 ] - [ 0.0017681000000000, -0.0057979100000000, -0.0010138100000000 ] - [ 0.0039353300000000, 0.0002141500000000, 0.0005833500000000 ] - [ -0.0029805700000000, -0.0004626900000000, 0.0002453700000000 ] - [ 0.0035071600000000, -0.0000858600000000, 0.0045217200000000 ] - [ -0.0027761700000000, 0.0003264400000000, -0.0009807700000000 ] - [ -0.0079136000000000, 0.0014195000000000, -0.0052521600000000 ] - [ 0.0084846500000000, -0.0126854500000000, 0.0135878900000000 ] - [ 0.0001618400000000, 0.0018383800000000, -0.0013473100000000 ] - [ -0.0021101500000000, -0.0016254000000000, 0.0005106800000000 ] - [ 0.0304783500000000, -0.0067202200000000, -0.0038461400000000 ] - [ -0.0099820300000000, -0.0003240300000000, -0.0031806300000000 ] - [ 0.0061953900000000, -0.0010941700000000, 0.0003612100000000 ] - [ -0.0074358800000000, 0.0045218800000000, -0.0009742800000000 ] - [ 0.0079543500000000, 0.0016175300000000, -0.0218629900000000 ] - [ 0.0039314100000000, -0.0001561100000000, 0.0026515100000000 ] - [ -0.1426236000000000, 0.0168714900000000, -0.0161990300000000 ] - [ 0.0076275700000000, 0.0004672200000000, 0.0007186100000000 ] - [ 0.0000042500000000, -0.0013854100000000, -0.0007639800000000 ] - [ 0.0008291100000000, 0.0002169700000000, 0.0005700700000000 ] - [ 0.0037741900000000, -0.0009776700000000, -0.0015907900000000 ] - [ -0.0006025900000000, 0.0084012600000000, 0.0141430800000000 ] - [ -0.0014991700000000, 0.0015102500000000, -0.0012958700000000 ] - [ 0.0020916100000000, -0.0009687800000000, 0.0005929400000000 ] - [ 0.0012513500000000, -0.0001311200000000, 0.0002295500000000 ] - [ -0.0022657800000000, -0.0003138400000000, 0.0017037400000000 ] - [ -0.0016129000000000, 0.0000881600000000, 0.0003324300000000 ] - [ 0.0010682100000000, 0.0004513300000000, 0.0001424600000000 ] - [ 0.0020238400000000, 0.0003892300000000, 0.0002663700000000 ] - [ -0.0031514300000000, -0.0001451700000000, 0.0004839400000000 ] - [ 0.0233921600000000, -0.0139253700000000, -0.0001230300000000 ] - [ 0.0230448000000000, 0.0117254400000000, 0.0032015000000000 ] - [ 0.0004960200000000, 0.0011060200000000, -0.0006755300000000 ] - [ 0.0005456000000000, -0.0007753800000000, 0.0001111500000000 ] - [ 0.0009671800000000, 0.0006728900000000, 0.0015992800000000 ] - [ -0.0011665600000000, -0.0014303400000000, -0.0007176100000000 ] - [ 0.0011605000000000, -0.0007924500000000, 0.0006680500000000 ] - [ -0.0011361000000000, 0.0015627300000000, -0.0015821200000000 ] - [ -0.0002967000000000, 0.0007472300000000, 0.0002535300000000 ] - [ 0.0001906600000000, 0.0006708900000000, -0.0001418900000000 ] - [ -0.0048842400000000, -0.0007753200000000, 0.0001873100000000 ] - [ 0.0044764000000000, 0.0000663600000000, -0.0000424300000000 ] - [ -0.0019210700000000, -0.0000376000000000, 0.0016093600000000 ] - [ 0.0015162900000000, -0.0000892200000000, 0.0000432200000000 ] - [ -0.0032138500000000, 0.0021331500000000, 0.0037115300000000 ] - [ 0.0027720600000000, -0.0007384500000000, -0.0012111400000000 ] - [ -0.0040503100000000, -0.0063971000000000, 0.0082029800000000 ] - [ 0.0029750100000000, 0.0004221900000000, -0.0006897800000000 ] - [ -0.0006352300000000, 0.0003759400000000, 0.0003818300000000 ] - [ 0.0001645300000000, 0.0002427100000000, 0.0005271400000000 ] - [ 0.0028891600000000, 0.0004756500000000, 0.0029772300000000 ] - [ 0.0041499400000000, -0.0016419100000000, -0.0117900500000000 ] - [ 0.0246304000000000, 0.0184303400000000, 0.0011325300000000 ] - [ 0.0109453100000000, -0.0062516300000000, 0.0004076500000000 ] - [ 0.0036275800000000, 0.0009780000000000, -0.0016191600000000 ] - [ -0.0012392500000000, -0.0090067600000000, 0.0107011900000000 ] - [ -0.0023971000000000, -0.0023099200000000, -0.0024124200000000 ] - [ 0.0026232000000000, 0.0015379100000000, 0.0016532400000000 ] - [ 0.0016801600000000, 0.0001636900000000, -0.0004638400000000 ] - [ -0.0011085400000000, 0.0004176300000000, 0.0005036000000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0048264800000000, 0.0056964700000000, 0.0027597800000000 ] - [ -0.0022771300000000, -0.0067028100000000, -0.0022860000000000 ] - [ 0.0022408800000000, -0.0007735600000000, -0.0009763700000000 ] - [ -0.0024242700000000, -0.0003660200000000, 0.0039925100000000 ] - [ 0.0107791700000000, 0.0001558900000000, -0.0041325100000000 ] - [ -0.0167241900000000, -0.0010139000000000, -0.0000358500000000 ] - [ 0.0018322100000000, 0.0000830700000000, 0.0011101300000000 ] - [ -0.0019987200000000, -0.0000858200000000, 0.0000729200000000 ] - [ -0.0013693700000000, 0.0016098300000000, 0.0013379100000000 ] - [ 0.0017067500000000, -0.0008556400000000, 0.0001739200000000 ] - [ -0.0155277900000000, 0.0112907000000000, -0.0081353300000000 ] - [ 0.0076393500000000, -0.0014699300000000, 0.0023042800000000 ] - [ 0.0013157400000000, 0.0019931100000000, -0.0016504100000000 ] - [ 0.0006412900000000, -0.0021347200000000, 0.0015892400000000 ] - [ -0.0032235000000000, -0.0004616500000000, -0.0011973200000000 ] - [ 0.0024564600000000, -0.0001003200000000, 0.0001042200000000 ] - [ -0.0096757900000000, 0.0011699100000000, 0.0087978400000000 ] - [ 0.0088571300000000, -0.0013823500000000, -0.0041622700000000 ] - [ 0.0030895600000000, 0.0010534900000000, 0.0011671200000000 ] - [ -0.0059695300000000, -0.0022753800000000, -0.0016868900000000 ] - [ 0.0034174900000000, -0.0045662300000000, -0.0034014700000000 ] - [ -0.0012089800000000, 0.0065190500000000, 0.0014153300000000 ] - [ -0.0035423200000000, 0.0000835800000000, -0.0006131100000000 ] - [ 0.0033143200000000, 0.0007844900000000, -0.0002927400000000 ] - [ -0.0038289500000000, 0.0004022100000000, -0.0045696300000000 ] - [ 0.0024252700000000, -0.0000136900000000, 0.0009490300000000 ] - [ 0.0080181100000000, -0.0004855600000000, 0.0036604300000000 ] - [ -0.0085977500000000, 0.0135560000000000, -0.0150907800000000 ] - [ -0.0007588200000000, -0.0025688000000000, 0.0017469200000000 ] - [ 0.0014685500000000, 0.0009245700000000, -0.0001416700000000 ] - [ -0.0302114000000000, 0.0062379100000000, 0.0041219200000000 ] - [ 0.0101099900000000, 0.0003958900000000, 0.0039119900000000 ] - [ -0.0063146700000000, 0.0011619900000000, -0.0002375200000000 ] - [ 0.0073608200000000, -0.0042960400000000, 0.0010844900000000 ] - [ -0.0075304800000000, -0.0008466900000000, 0.0219817000000000 ] - [ -0.0035124000000000, 0.0009300500000000, -0.0023632100000000 ] - [ 0.1438153700000000, -0.0161509900000000, 0.0179426900000000 ] - [ -0.0070988000000000, 0.0000730400000000, -0.0000891500000000 ] - [ -0.0001416600000000, 0.0008867700000000, 0.0011204800000000 ] - [ -0.0009389300000000, -0.0007153500000000, -0.0001949800000000 ] - [ -0.0033637200000000, 0.0002082000000000, 0.0018915500000000 ] - [ 0.0011181000000000, -0.0091644400000000, -0.0138112400000000 ] - [ 0.0020629700000000, -0.0018219500000000, 0.0011722800000000 ] - [ -0.0014962700000000, 0.0006580100000000, -0.0007251400000000 ] - [ -0.0017926700000000, -0.0004041700000000, 0.0004045100000000 ] - [ 0.0017302800000000, -0.0002273300000000, -0.0010698800000000 ] - [ 0.0011927900000000, 0.0006891000000000, -0.0000216600000000 ] - [ -0.0014804100000000, 0.0003182800000000, 0.0001822800000000 ] - [ -0.0021486400000000, 0.0001053100000000, 0.0001003600000000 ] - [ 0.0030339600000000, 0.0006388900000000, -0.0001129500000000 ] - [ -0.0225184300000000, 0.0131451600000000, 0.0007329800000000 ] - [ -0.0228658700000000, -0.0125119100000000, -0.0025961000000000 ] - [ -0.0003833100000000, -0.0010154900000000, 0.0007945700000000 ] - [ -0.0004080200000000, 0.0008683100000000, 0.0000257000000000 ] - [ -0.0013918000000000, -0.0014378700000000, -0.0012670800000000 ] - [ 0.0007659400000000, 0.0006659900000000, 0.0010444200000000 ] - [ -0.0012784500000000, 0.0012810700000000, -0.0014551400000000 ] - [ 0.0010536100000000, -0.0010791400000000, 0.0007889200000000 ] - [ 0.0003967600000000, -0.0002467000000000, 0.0001176800000000 ] - [ -0.0000383400000000, -0.0001765800000000, 0.0005062200000000 ] - [ 0.0050140700000000, 0.0002356600000000, 0.0001668900000000 ] - [ -0.0043519800000000, -0.0005430000000000, 0.0004120600000000 ] - [ 0.0020480300000000, -0.0000461300000000, -0.0014911400000000 ] - [ -0.0013928100000000, -0.0000010700000000, 0.0000796500000000 ] - [ 0.0030867800000000, -0.0026568500000000, -0.0045519400000000 ] - [ -0.0028745200000000, 0.0002538800000000, 0.0004280200000000 ] - [ 0.0033788000000000, 0.0061649500000000, -0.0084344600000000 ] - [ -0.0035553400000000, -0.0007384100000000, 0.0005835600000000 ] - [ 0.0000856200000000, 0.0001621500000000, 0.0002510000000000 ] - [ -0.0006956000000000, 0.0002927500000000, 0.0001062100000000 ] - [ -0.0034770500000000, -0.0001638400000000, -0.0030820100000000 ] - [ -0.0047557800000000, 0.0019664600000000, 0.0118053100000000 ] - [ -0.0243855500000000, -0.0182000200000000, -0.0010069300000000 ] - [ -0.0112351500000000, 0.0062730800000000, -0.0002893400000000 ] - [ -0.0035334700000000, -0.0004869700000000, 0.0008053600000000 ] - [ 0.0014629400000000, 0.0094305700000000, -0.0114269400000000 ] - [ 0.0024760600000000, 0.0018216100000000, 0.0016114700000000 ] - [ -0.0025124400000000, -0.0020402600000000, -0.0024726100000000 ] - [ -0.0011053800000000, 0.0001458600000000, 0.0003365600000000 ] - [ 0.0016947500000000, -0.0001057500000000, -0.0006206000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020780300000000, -0.0048168500000000, -0.0017525800000000 ] - [ 0.0066349600000000, -0.0072331500000000, -0.0030186000000000 ] - [ -0.0000237200000000, 0.0004177900000000, -0.0001552400000000 ] - [ -0.0000677600000000, 0.0015019900000000, -0.0033966600000000 ] - [ -0.0019143200000000, 0.0066757200000000, 0.0003382100000000 ] - [ 0.0027012900000000, 0.0222860700000000, 0.0010651800000000 ] - [ -0.0001444600000000, -0.0015061500000000, 0.0004530600000000 ] - [ -0.0001512500000000, -0.0031488600000000, 0.0008366400000000 ] - [ -0.0010017800000000, -0.0028704000000000, -0.0004244900000000 ] - [ 0.0004689600000000, -0.0008604500000000, 0.0003279200000000 ] - [ -0.0128369300000000, -0.0131396600000000, 0.0174369800000000 ] - [ 0.0017273300000000, 0.0003484300000000, 0.0014289600000000 ] - [ -0.0009288800000000, -0.0006430500000000, 0.0000484900000000 ] - [ 0.0022827400000000, -0.0051933700000000, 0.0022800600000000 ] - [ 0.0002657800000000, -0.0043430300000000, -0.0010860500000000 ] - [ -0.0002462500000000, -0.0022392800000000, -0.0009242300000000 ] - [ -0.0020199300000000, 0.0193761200000000, -0.0041204400000000 ] - [ -0.0000701300000000, 0.0037955900000000, -0.0008971600000000 ] - [ -0.0008268200000000, 0.0011449200000000, 0.0000858100000000 ] - [ 0.0016507200000000, 0.0023093600000000, -0.0008650400000000 ] - [ 0.0016812900000000, -0.0024988800000000, -0.0008619300000000 ] - [ -0.0053943700000000, -0.0055960500000000, -0.0037109100000000 ] - [ 0.0029195300000000, -0.0125038200000000, 0.0009924700000000 ] - [ -0.0004428000000000, -0.0021844000000000, 0.0000799500000000 ] - [ -0.0001370900000000, 0.0022606600000000, 0.0015209700000000 ] - [ 0.0000145600000000, 0.0019431400000000, 0.0002594200000000 ] - [ 0.0019470000000000, 0.0014691900000000, 0.0014707900000000 ] - [ -0.0132031500000000, -0.0013496500000000, 0.0166851200000000 ] - [ 0.0020771800000000, -0.0036853900000000, 0.0027272300000000 ] - [ -0.0012243400000000, -0.0009343600000000, 0.0007471400000000 ] - [ -0.0049869500000000, 0.0336941900000000, 0.0086302500000000 ] - [ -0.0026645300000000, 0.0014401400000000, -0.0020131600000000 ] - [ -0.0004009200000000, 0.0013884600000000, 0.0000384700000000 ] - [ 0.0012499400000000, 0.0367950900000000, -0.0009221200000000 ] - [ 0.0037535400000000, -0.0063503400000000, -0.0042894700000000 ] - [ -0.0001107800000000, -0.0021556000000000, 0.0004542600000000 ] - [ 0.0161947500000000, -0.1200575300000000, -0.0232000300000000 ] - [ 0.0004677500000000, -0.0026390700000000, 0.0005884500000000 ] - [ -0.0009001400000000, -0.0013024700000000, -0.0012129100000000 ] - [ 0.0008292700000000, -0.0010247300000000, 0.0008064000000000 ] - [ -0.0001681100000000, -0.0011774400000000, 0.0011949500000000 ] - [ 0.0061119600000000, 0.0031232500000000, 0.0160051900000000 ] - [ 0.0017392400000000, 0.0021444600000000, -0.0019618900000000 ] - [ -0.0007873800000000, 0.0013509100000000, -0.0006288100000000 ] - [ -0.0001333500000000, 0.0002202000000000, 0.0002554200000000 ] - [ -0.0003131800000000, 0.0016676400000000, -0.0000490600000000 ] - [ -0.0004481900000000, 0.0037974800000000, -0.0002675100000000 ] - [ -0.0000459500000000, 0.0012606500000000, 0.0000745500000000 ] - [ 0.0000122900000000, -0.0004627300000000, 0.0002219900000000 ] - [ -0.0004447500000000, -0.0023782100000000, 0.0001859300000000 ] - [ -0.0118229100000000, 0.0000828400000000, 0.0001718600000000 ] - [ 0.0137955200000000, 0.0000945200000000, 0.0021798700000000 ] - [ 0.0008727900000000, -0.0001104300000000, 0.0002368100000000 ] - [ -0.0009052300000000, -0.0003419800000000, -0.0012912200000000 ] - [ 0.0003519300000000, 0.0006712400000000, 0.0010247200000000 ] - [ -0.0011012900000000, 0.0005944200000000, 0.0010037000000000 ] - [ -0.0008675200000000, 0.0012328000000000, -0.0010940700000000 ] - [ 0.0015583100000000, 0.0015056000000000, -0.0022919300000000 ] - [ -0.0002154400000000, 0.0038617700000000, -0.0002404300000000 ] - [ 0.0006995800000000, 0.0037152000000000, -0.0003253100000000 ] - [ 0.0003658000000000, 0.0212776400000000, 0.0032780000000000 ] - [ 0.0005608100000000, 0.0015182300000000, 0.0004797200000000 ] - [ -0.0001333400000000, 0.0015641400000000, -0.0000592000000000 ] - [ 0.0000854600000000, 0.0003413700000000, 0.0000345700000000 ] - [ 0.0013731200000000, 0.0017912600000000, 0.0069215700000000 ] - [ -0.0003098100000000, -0.0006822200000000, -0.0001464300000000 ] - [ -0.0065840100000000, 0.0047977300000000, -0.0152075400000000 ] - [ 0.0002159200000000, -0.0005936900000000, -0.0005571000000000 ] - [ -0.0003743700000000, 0.0015035300000000, 0.0000129900000000 ] - [ -0.0002468800000000, 0.0014719700000000, 0.0000887100000000 ] - [ -0.0003046600000000, -0.0023122000000000, -0.0001294000000000 ] - [ -0.0004981300000000, -0.0045595700000000, -0.0002124200000000 ] - [ 0.0193563500000000, 0.0058014700000000, 0.0013172900000000 ] - [ -0.0081485500000000, 0.0002058000000000, 0.0001833000000000 ] - [ 0.0011091700000000, -0.0000282900000000, -0.0012673100000000 ] - [ -0.0094662800000000, 0.0098123500000000, -0.0192654600000000 ] - [ -0.0018855700000000, 0.0018025900000000, 0.0017759900000000 ] - [ 0.0011990100000000, 0.0011282800000000, 0.0006825800000000 ] - [ 0.0003019000000000, 0.0013046400000000, 0.0001143200000000 ] - [ 0.0004044800000000, 0.0044324600000000, 0.0010999000000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024063700000000, 0.0045115200000000, 0.0017121500000000 ] - [ -0.0062019300000000, 0.0069070200000000, 0.0029512300000000 ] - [ -0.0003107800000000, -0.0007398100000000, 0.0001152900000000 ] - [ -0.0002728500000000, -0.0018256900000000, 0.0033511800000000 ] - [ 0.0020511600000000, -0.0067339200000000, 0.0003762800000000 ] - [ -0.0025645400000000, -0.0223531800000000, -0.0003809400000000 ] - [ 0.0000356000000000, 0.0014301600000000, 0.0002356500000000 ] - [ 0.0000515300000000, 0.0030719800000000, -0.0001581300000000 ] - [ 0.0008893100000000, 0.0029557600000000, 0.0011070400000000 ] - [ -0.0005702600000000, 0.0009395100000000, 0.0003599900000000 ] - [ 0.0135781300000000, 0.0129176200000000, -0.0172323000000000 ] - [ -0.0010920300000000, -0.0010475000000000, -0.0010423500000000 ] - [ 0.0008216700000000, 0.0015839800000000, -0.0016001200000000 ] - [ -0.0023823800000000, 0.0061351600000000, -0.0038308400000000 ] - [ -0.0003719000000000, 0.0034088100000000, -0.0004529100000000 ] - [ 0.0001461300000000, 0.0013046000000000, -0.0006295500000000 ] - [ 0.0021818700000000, -0.0202901700000000, 0.0025769400000000 ] - [ 0.0001384800000000, -0.0047106000000000, -0.0006773200000000 ] - [ 0.0001942200000000, -0.0004331100000000, 0.0002914100000000 ] - [ -0.0022644000000000, -0.0015638700000000, 0.0012589900000000 ] - [ -0.0010627700000000, 0.0031823700000000, 0.0012411900000000 ] - [ 0.0060860800000000, 0.0062608300000000, 0.0041348600000000 ] - [ -0.0026532900000000, 0.0128083700000000, -0.0010756700000000 ] - [ 0.0007924300000000, 0.0024878800000000, -0.0001216000000000 ] - [ -0.0002137700000000, -0.0019415900000000, -0.0015960700000000 ] - [ -0.0003530400000000, -0.0016257600000000, -0.0002905500000000 ] - [ -0.0018405100000000, -0.0005404800000000, -0.0030227400000000 ] - [ 0.0132098400000000, 0.0019210200000000, -0.0181039000000000 ] - [ -0.0027053100000000, 0.0029514600000000, -0.0023403400000000 ] - [ 0.0005954400000000, 0.0002156800000000, -0.0003670300000000 ] - [ 0.0061554800000000, -0.0352196700000000, -0.0093848700000000 ] - [ 0.0027571000000000, -0.0013671100000000, 0.0026939700000000 ] - [ 0.0002757000000000, -0.0012900500000000, 0.0000850800000000 ] - [ -0.0014450700000000, -0.0374299400000000, 0.0010585700000000 ] - [ -0.0034429300000000, 0.0070672200000000, 0.0047564300000000 ] - [ 0.0005263300000000, 0.0029197500000000, -0.0001351400000000 ] - [ -0.0168349500000000, 0.1224953900000000, 0.0253923000000000 ] - [ 0.0000736700000000, 0.0031686900000000, 0.0000445700000000 ] - [ 0.0007773700000000, 0.0008173300000000, 0.0015878000000000 ] - [ -0.0009530100000000, 0.0005364400000000, -0.0004444000000000 ] - [ 0.0005783500000000, 0.0004133100000000, -0.0008759800000000 ] - [ -0.0057366300000000, -0.0038860200000000, -0.0157954200000000 ] - [ -0.0011461400000000, -0.0024626900000000, 0.0018240700000000 ] - [ 0.0013622400000000, -0.0016657100000000, 0.0005037600000000 ] - [ -0.0004064700000000, -0.0007596500000000, 0.0003763400000000 ] - [ -0.0002268200000000, -0.0022085900000000, 0.0006798400000000 ] - [ 0.0000438300000000, -0.0030189300000000, 0.0006160000000000 ] - [ -0.0003725300000000, -0.0004884900000000, 0.0002461100000000 ] - [ -0.0001355600000000, 0.0009558800000000, 0.0001458200000000 ] - [ 0.0003236700000000, 0.0028695200000000, 0.0001806700000000 ] - [ 0.0124126200000000, -0.0005932400000000, 0.0004531800000000 ] - [ -0.0132725000000000, -0.0005813600000000, -0.0015350900000000 ] - [ -0.0007480300000000, 0.0001872700000000, -0.0001032100000000 ] - [ 0.0010261700000000, 0.0004193800000000, 0.0014047400000000 ] - [ -0.0007639900000000, -0.0014458000000000, -0.0006997400000000 ] - [ 0.0006768500000000, -0.0013755000000000, -0.0006708300000000 ] - [ 0.0007659100000000, -0.0007351200000000, 0.0002966200000000 ] - [ -0.0016673300000000, -0.0010032900000000, 0.0015037800000000 ] - [ 0.0003678300000000, -0.0033647800000000, 0.0006066100000000 ] - [ -0.0006174600000000, -0.0032144500000000, 0.0006945100000000 ] - [ -0.0002360300000000, -0.0214648700000000, -0.0028857200000000 ] - [ -0.0004378100000000, -0.0020151100000000, -0.0001127200000000 ] - [ 0.0002583500000000, -0.0016450500000000, 0.0001805700000000 ] - [ 0.0000384900000000, -0.0004267800000000, 0.0000890100000000 ] - [ -0.0014639400000000, -0.0022906300000000, -0.0076683800000000 ] - [ 0.0002149900000000, 0.0001836800000000, -0.0006485600000000 ] - [ 0.0060120700000000, -0.0050558800000000, 0.0151561500000000 ] - [ -0.0007876300000000, 0.0002878900000000, 0.0004347200000000 ] - [ -0.0001605500000000, -0.0009663300000000, 0.0006194400000000 ] - [ -0.0002970600000000, -0.0009348000000000, 0.0005437100000000 ] - [ -0.0002776500000000, 0.0026183000000000, 0.0000076800000000 ] - [ -0.0000025400000000, 0.0048381500000000, -0.0000013200000000 ] - [ -0.0193271100000000, -0.0059150800000000, -0.0011877800000000 ] - [ 0.0079587300000000, -0.0003091000000000, -0.0000623000000000 ] - [ -0.0010150900000000, 0.0005088600000000, 0.0004651600000000 ] - [ 0.0094984700000000, -0.0093347000000000, 0.0183186400000000 ] - [ 0.0020005100000000, -0.0022846200000000, -0.0025855000000000 ] - [ -0.0010984100000000, -0.0016069200000000, -0.0014743400000000 ] - [ 0.0002821300000000, -0.0009917400000000, -0.0002386000000000 ] - [ 0.0001678900000000, -0.0041231300000000, -0.0012457800000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007580600000000, -0.0007369700000000, 0.0009963200000000 ] - [ 0.0018235800000000, -0.0022200200000000, 0.0038700300000000 ] - [ 0.0003195600000000, -0.0007363600000000, -0.0018872900000000 ] - [ 0.0001860200000000, -0.0001090500000000, -0.0107097200000000 ] - [ 0.0045384700000000, -0.0003300700000000, 0.0068878000000000 ] - [ -0.0018451400000000, 0.0001701500000000, 0.0227223200000000 ] - [ -0.0004898800000000, 0.0002885200000000, -0.0011278600000000 ] - [ 0.0003754500000000, 0.0004882900000000, -0.0021840800000000 ] - [ -0.0022974600000000, -0.0027565500000000, -0.0036491500000000 ] - [ 0.0002955700000000, -0.0002082600000000, -0.0013645100000000 ] - [ 0.0099872600000000, 0.0170160000000000, 0.0081924400000000 ] - [ -0.0004983300000000, -0.0000759200000000, 0.0023064200000000 ] - [ 0.0009397600000000, 0.0012339400000000, -0.0025132100000000 ] - [ -0.0031094200000000, 0.0052947200000000, -0.0068158900000000 ] - [ 0.0005138000000000, -0.0004367900000000, -0.0035823300000000 ] - [ -0.0005819400000000, -0.0003666800000000, -0.0024006200000000 ] - [ -0.0112529900000000, -0.0036507600000000, 0.0093836800000000 ] - [ 0.0044003600000000, -0.0008512200000000, 0.0035065700000000 ] - [ -0.0007696700000000, -0.0001893300000000, -0.0020891600000000 ] - [ 0.0014763300000000, -0.0029330800000000, -0.0081836300000000 ] - [ 0.0007081800000000, 0.0007673400000000, 0.0026670300000000 ] - [ -0.0014979400000000, -0.0038327200000000, 0.0063939100000000 ] - [ 0.0000258400000000, 0.0017968500000000, 0.0022963500000000 ] - [ 0.0000214800000000, 0.0002714400000000, 0.0011439200000000 ] - [ -0.0006937800000000, 0.0001782900000000, -0.0109880800000000 ] - [ -0.0009919300000000, 0.0001754200000000, -0.0029947400000000 ] - [ -0.0015378900000000, 0.0009189700000000, 0.0007735200000000 ] - [ 0.0158368500000000, 0.0189916000000000, -0.0020293500000000 ] - [ -0.0042593600000000, 0.0046597800000000, -0.0066960800000000 ] - [ 0.0004770000000000, -0.0000159900000000, -0.0019020500000000 ] - [ -0.0023761400000000, 0.0081903000000000, 0.0322935700000000 ] - [ -0.0006460900000000, -0.0002592800000000, 0.0024909100000000 ] - [ 0.0005767300000000, -0.0001460400000000, -0.0008937400000000 ] - [ -0.0009609600000000, -0.0037874700000000, -0.0072632000000000 ] - [ -0.0210160000000000, -0.0009953100000000, 0.0216019300000000 ] - [ 0.0027889300000000, 0.0005435500000000, -0.0001884500000000 ] - [ -0.0171389800000000, -0.0235652000000000, -0.1407444500000000 ] - [ 0.0006761800000000, 0.0005381300000000, -0.0010384900000000 ] - [ 0.0009283700000000, 0.0014441900000000, 0.0044069500000000 ] - [ 0.0009988200000000, -0.0004480200000000, 0.0033423500000000 ] - [ -0.0004109800000000, 0.0004675300000000, -0.0007811900000000 ] - [ 0.0109251900000000, 0.0172691500000000, 0.0216673400000000 ] - [ -0.0013351600000000, -0.0021980100000000, 0.0006711700000000 ] - [ 0.0019758600000000, -0.0011237700000000, 0.0003401900000000 ] - [ -0.0001816600000000, -0.0002066400000000, 0.0013054600000000 ] - [ -0.0016596800000000, 0.0001016700000000, 0.0043800300000000 ] - [ -0.0004200900000000, -0.0010131600000000, 0.0008708000000000 ] - [ -0.0002427700000000, 0.0002146700000000, 0.0003616700000000 ] - [ 0.0001971200000000, 0.0001071600000000, 0.0012411200000000 ] - [ 0.0001485100000000, -0.0005524400000000, 0.0060464700000000 ] - [ 0.0031248800000000, -0.0021075500000000, -0.0062187300000000 ] - [ -0.0000784200000000, -0.0000896600000000, -0.0061951100000000 ] - [ 0.0006010000000000, -0.0007849400000000, 0.0037000000000000 ] - [ 0.0007142500000000, 0.0005285200000000, 0.0035009200000000 ] - [ 0.0006877400000000, 0.0000282000000000, 0.0006066200000000 ] - [ -0.0011838300000000, 0.0008506500000000, 0.0007272900000000 ] - [ 0.0017377800000000, -0.0008566400000000, 0.0003106700000000 ] - [ -0.0018705900000000, -0.0016191000000000, 0.0007862400000000 ] - [ 0.0003204000000000, 0.0003020000000000, -0.0008953800000000 ] - [ -0.0000234900000000, 0.0002873700000000, -0.0008645900000000 ] - [ 0.0000025600000000, 0.0001532800000000, -0.0036783500000000 ] - [ 0.0004428400000000, -0.0003735600000000, -0.0006034200000000 ] - [ -0.0011428100000000, -0.0002616100000000, 0.0045035500000000 ] - [ 0.0003151800000000, -0.0000064000000000, 0.0009580300000000 ] - [ 0.0030668300000000, 0.0083138200000000, 0.0107283500000000 ] - [ -0.0008586700000000, 0.0006266900000000, 0.0001066200000000 ] - [ 0.0101900600000000, -0.0194817700000000, 0.0240785400000000 ] - [ -0.0010254500000000, -0.0008082900000000, -0.0003887300000000 ] - [ -0.0003326600000000, -0.0000357100000000, 0.0018763200000000 ] - [ -0.0004832900000000, 0.0000407600000000, 0.0018340100000000 ] - [ 0.0025504700000000, 0.0006352800000000, 0.0003114500000000 ] - [ -0.0131551200000000, 0.0022369600000000, 0.0104645700000000 ] - [ 0.0021004200000000, 0.0017328000000000, -0.0067210600000000 ] - [ -0.0001897400000000, 0.0002649500000000, -0.0041033400000000 ] - [ -0.0010202600000000, -0.0006240400000000, -0.0013626600000000 ] - [ 0.0113325300000000, -0.0183763700000000, 0.0181700800000000 ] - [ -0.0017348200000000, 0.0016099100000000, -0.0010854500000000 ] - [ 0.0016576300000000, 0.0002306700000000, -0.0009817000000000 ] - [ 0.0001930700000000, 0.0000889800000000, 0.0000933400000000 ] - [ -0.0001073900000000, 0.0001122000000000, 0.0002089200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0011048800000000, 0.0004461500000000, -0.0010039600000000 ] - [ -0.0014875200000000, 0.0019051400000000, -0.0038737600000000 ] - [ -0.0006742600000000, 0.0004305200000000, 0.0018429200000000 ] - [ -0.0005160700000000, -0.0002058800000000, 0.0106768800000000 ] - [ -0.0044290900000000, 0.0002538000000000, -0.0062649300000000 ] - [ 0.0010500100000000, -0.0001568100000000, -0.0226117400000000 ] - [ 0.0003779600000000, -0.0003578800000000, 0.0018213100000000 ] - [ -0.0004711500000000, -0.0005560500000000, 0.0028838700000000 ] - [ 0.0021738400000000, 0.0028064100000000, 0.0043384800000000 ] - [ -0.0003958900000000, 0.0002751400000000, 0.0020614700000000 ] - [ -0.0092685000000000, -0.0175118000000000, -0.0081039000000000 ] - [ 0.0011229500000000, -0.0006249100000000, -0.0019569300000000 ] - [ -0.0010496700000000, -0.0003106600000000, 0.0009433300000000 ] - [ 0.0030113500000000, -0.0043612900000000, 0.0052499200000000 ] - [ -0.0006265700000000, -0.0004906700000000, 0.0020096500000000 ] - [ 0.0004823100000000, -0.0005656900000000, 0.0008353400000000 ] - [ 0.0122215100000000, 0.0028000300000000, -0.0100224300000000 ] - [ -0.0042926400000000, -0.0000720300000000, -0.0049989900000000 ] - [ 0.0001293900000000, 0.0008918900000000, 0.0024761600000000 ] - [ -0.0020822900000000, 0.0036194300000000, 0.0085484500000000 ] - [ -0.0000742000000000, -0.0000731400000000, -0.0023157800000000 ] - [ 0.0021303000000000, 0.0045313400000000, -0.0060866400000000 ] - [ 0.0003450900000000, -0.0014827500000000, -0.0022901000000000 ] - [ 0.0003134900000000, 0.0000384300000000, -0.0011664300000000 ] - [ 0.0003541700000000, 0.0001314700000000, 0.0109535200000000 ] - [ 0.0006644100000000, 0.0001368400000000, 0.0029422500000000 ] - [ 0.0016407500000000, 0.0000114200000000, -0.0022838200000000 ] - [ -0.0157548500000000, -0.0181537400000000, 0.0007781400000000 ] - [ 0.0036125100000000, -0.0053432000000000, 0.0070695000000000 ] - [ -0.0010990700000000, -0.0006849800000000, 0.0022905900000000 ] - [ 0.0030990100000000, -0.0091787900000000, -0.0322099900000000 ] - [ 0.0007249300000000, 0.0003330000000000, -0.0018461400000000 ] - [ -0.0007017100000000, 0.0002459900000000, 0.0010167400000000 ] - [ 0.0008382300000000, 0.0040314400000000, 0.0073473400000000 ] - [ 0.0218063400000000, 0.0017835700000000, -0.0215651600000000 ] - [ -0.0023787100000000, 0.0002233800000000, 0.0005273500000000 ] - [ 0.0169738000000000, 0.0250188500000000, 0.1418528100000000 ] - [ -0.0001320400000000, -0.0000053400000000, 0.0016725800000000 ] - [ -0.0010356400000000, -0.0019475200000000, -0.0040346700000000 ] - [ -0.0011339600000000, -0.0000484800000000, -0.0029775900000000 ] - [ 0.0008344200000000, -0.0012434900000000, 0.0011199400000000 ] - [ -0.0107003500000000, -0.0183506500000000, -0.0216156600000000 ] - [ 0.0019180500000000, 0.0018897400000000, -0.0007788800000000 ] - [ -0.0014082700000000, 0.0008139900000000, -0.0004520000000000 ] - [ -0.0003562600000000, -0.0003278700000000, -0.0006729800000000 ] - [ 0.0011143100000000, -0.0006277200000000, -0.0037405800000000 ] - [ 0.0000025200000000, 0.0017726600000000, -0.0005737700000000 ] - [ -0.0001720600000000, 0.0005554800000000, -0.0000527400000000 ] - [ -0.0003149700000000, 0.0003878900000000, -0.0008714900000000 ] - [ -0.0002758800000000, 0.0010492400000000, -0.0056736600000000 ] - [ -0.0026717300000000, 0.0016072900000000, 0.0068229600000000 ] - [ 0.0007772400000000, -0.0003709200000000, 0.0068462400000000 ] - [ -0.0004626300000000, 0.0008841700000000, -0.0035753100000000 ] - [ -0.0005995400000000, -0.0004347600000000, -0.0033749200000000 ] - [ -0.0010945000000000, -0.0007966000000000, -0.0003038700000000 ] - [ 0.0007621700000000, -0.0016138200000000, -0.0004222000000000 ] - [ -0.0018201100000000, 0.0013398900000000, -0.0011179700000000 ] - [ 0.0017586400000000, 0.0021007500000000, -0.0015947800000000 ] - [ -0.0002011700000000, 0.0001900900000000, 0.0012607600000000 ] - [ 0.0001547500000000, 0.0002128400000000, 0.0012301100000000 ] - [ 0.0001242200000000, -0.0007029300000000, 0.0040259700000000 ] - [ -0.0003207300000000, -0.0001296400000000, 0.0009692400000000 ] - [ 0.0012657600000000, 0.0001574600000000, -0.0043736400000000 ] - [ -0.0001896400000000, -0.0000840400000000, -0.0008326900000000 ] - [ -0.0031180700000000, -0.0086890600000000, -0.0113866900000000 ] - [ 0.0007519400000000, -0.0011121400000000, -0.0009112900000000 ] - [ -0.0106090000000000, 0.0188575100000000, -0.0238419200000000 ] - [ 0.0004425000000000, 0.0004941000000000, 0.0002503000000000 ] - [ -0.0002015200000000, 0.0005711700000000, -0.0012422400000000 ] - [ -0.0000621100000000, 0.0004961600000000, -0.0012009900000000 ] - [ -0.0031096600000000, -0.0003234800000000, -0.0004490800000000 ] - [ 0.0123835200000000, -0.0019081900000000, -0.0104590100000000 ] - [ -0.0023834700000000, -0.0019092900000000, 0.0068145900000000 ] - [ 0.0001139200000000, -0.0003839900000000, 0.0042242900000000 ] - [ 0.0011297200000000, 0.0011175700000000, 0.0005857800000000 ] - [ -0.0113877700000000, 0.0191195700000000, -0.0191557000000000 ] - [ 0.0018425600000000, -0.0021010800000000, 0.0003102500000000 ] - [ -0.0015636800000000, -0.0007146500000000, 0.0002085800000000 ] - [ 0.0003862500000000, 0.0002244800000000, -0.0002077900000000 ] - [ 0.0006872100000000, 0.0001996600000000, -0.0003127500000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0015770100000000, 0.0000242100000000, 0.0001955300000000 ] - [ -0.0012097500000000, -0.0000209900000000, -0.0001605800000000 ] - [ 0.1496020200000000, -0.0077939500000000, 0.0448257600000000 ] - [ -0.0127985300000000, -0.0022242700000000, 0.0038118700000000 ] - [ 0.0050493200000000, -0.0030277600000000, -0.0019208100000000 ] - [ -0.0030644900000000, 0.0005677500000000, 0.0009885200000000 ] - [ 0.0018393700000000, 0.0053427900000000, 0.0020515900000000 ] - [ -0.0041641500000000, -0.0040538300000000, -0.0033819500000000 ] - [ 0.0035341500000000, 0.0005926500000000, 0.0009411300000000 ] - [ -0.0029577400000000, 0.0000231700000000, 0.0000307900000000 ] - [ 0.0011545400000000, 0.0010203700000000, 0.0009224700000000 ] - [ -0.0012267300000000, -0.0010706000000000, -0.0003224600000000 ] - [ 0.0028077700000000, 0.0004804800000000, -0.0005643500000000 ] - [ -0.0028690200000000, 0.0008430400000000, -0.0004612900000000 ] - [ 0.0036786500000000, -0.0048840300000000, 0.0026833300000000 ] - [ -0.0036136100000000, 0.0026355900000000, -0.0033466600000000 ] - [ 0.0053732000000000, 0.0019459200000000, -0.0035934300000000 ] - [ -0.0032951000000000, -0.0006493700000000, -0.0002924600000000 ] - [ 0.0027637800000000, -0.0058892100000000, 0.0047996400000000 ] - [ -0.0047442300000000, 0.0054976000000000, -0.0049026600000000 ] - [ 0.0048514600000000, 0.0029041100000000, -0.0020700400000000 ] - [ -0.0026921600000000, -0.0001736400000000, 0.0007890600000000 ] - [ 0.0018324800000000, -0.0006085900000000, -0.0007529600000000 ] - [ -0.0015146200000000, 0.0007689400000000, 0.0004772500000000 ] - [ 0.0467594700000000, -0.0440510900000000, -0.0124958700000000 ] - [ -0.0099463100000000, -0.0002542700000000, -0.0015281300000000 ] - [ 0.0005859900000000, -0.0008173800000000, 0.0020939000000000 ] - [ -0.0044154200000000, 0.0002399100000000, -0.0030813100000000 ] - [ 0.0280261600000000, 0.0067047700000000, 0.0130771600000000 ] - [ -0.0072826000000000, -0.0004059900000000, 0.0026012600000000 ] - [ 0.0018877800000000, -0.0004942200000000, 0.0025207000000000 ] - [ -0.0049504700000000, 0.0000010200000000, -0.0019984500000000 ] - [ 0.0004988600000000, -0.0007735200000000, 0.0009101600000000 ] - [ 0.0003870000000000, 0.0009148800000000, 0.0010393800000000 ] - [ -0.0045652200000000, -0.0023137000000000, -0.0047710200000000 ] - [ 0.0029510400000000, 0.0007050900000000, 0.0012508200000000 ] - [ 0.0003502800000000, -0.0005687100000000, 0.0012950400000000 ] - [ 0.0011492100000000, 0.0011616300000000, 0.0013892500000000 ] - [ -0.2688761700000000, 0.0444458500000000, -0.0497701800000000 ] - [ 0.0061092600000000, -0.0004016300000000, 0.0006499400000000 ] - [ 0.0047722100000000, -0.0003418700000000, 0.0110408400000000 ] - [ 0.0021853100000000, -0.0000328500000000, -0.0023056300000000 ] - [ -0.0011382500000000, -0.0003624000000000, 0.0000196400000000 ] - [ 0.0017164300000000, -0.0002275400000000, -0.0001358100000000 ] - [ -0.0006302800000000, -0.0005613900000000, 0.0000529800000000 ] - [ -0.0001448500000000, 0.0003891000000000, 0.0004038200000000 ] - [ -0.0018608100000000, 0.0017889200000000, 0.0016263300000000 ] - [ 0.0014008500000000, -0.0004832100000000, -0.0009309500000000 ] - [ 0.0187702100000000, 0.0117585300000000, 0.0007843700000000 ] - [ 0.0185212700000000, -0.0121937900000000, 0.0023626300000000 ] - [ -0.0028284000000000, 0.0001172600000000, 0.0005322300000000 ] - [ 0.0023587500000000, -0.0003422100000000, 0.0005737400000000 ] - [ -0.0055735400000000, 0.0008647300000000, -0.0006286400000000 ] - [ 0.0049429400000000, -0.0006866500000000, -0.0000438300000000 ] - [ -0.0015394600000000, -0.0007623000000000, 0.0000554800000000 ] - [ 0.0011811300000000, -0.0005028000000000, 0.0003995800000000 ] - [ -0.0025443300000000, -0.0050758300000000, -0.0093604700000000 ] - [ 0.0027971200000000, 0.0004533200000000, 0.0004039800000000 ] - [ -0.0015641600000000, 0.0001966400000000, -0.0003949900000000 ] - [ 0.0013584500000000, 0.0001669900000000, 0.0001479400000000 ] - [ -0.0000756400000000, -0.0003153000000000, 0.0002987600000000 ] - [ 0.0002684900000000, -0.0002875500000000, 0.0001711200000000 ] - [ 0.0171566400000000, 0.0154480500000000, 0.0015983200000000 ] - [ 0.0093708200000000, -0.0068615800000000, -0.0010114500000000 ] - [ -0.0016086500000000, -0.0018554400000000, 0.0009976600000000 ] - [ 0.0016065100000000, 0.0007115300000000, -0.0018616900000000 ] - [ 0.0040003000000000, -0.0003078400000000, 0.0111473900000000 ] - [ 0.0017798800000000, 0.0001632000000000, -0.0013774300000000 ] - [ -0.0052247900000000, -0.0000076900000000, 0.0003750200000000 ] - [ 0.0041474900000000, -0.0002366300000000, -0.0000674900000000 ] - [ -0.0038850100000000, 0.0021316500000000, -0.0042317200000000 ] - [ 0.0025581500000000, -0.0001833800000000, 0.0012474600000000 ] - [ -0.0018759200000000, -0.0003152600000000, -0.0009599400000000 ] - [ 0.0013344900000000, 0.0000241700000000, 0.0002928800000000 ] - [ -0.0009711700000000, 0.0011135900000000, 0.0004675400000000 ] - [ 0.0010953700000000, -0.0003522600000000, -0.0013209100000000 ] - [ -0.0041570600000000, 0.0015867800000000, -0.0040366900000000 ] - [ 0.0027336500000000, -0.0006169600000000, 0.0004002700000000 ] - [ -0.0006688200000000, -0.0013602000000000, 0.0008298400000000 ] - [ 0.0016522000000000, 0.0010154600000000, -0.0014921500000000 ]- atom: 39 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012264800000000, -0.0003364000000000, -0.0002439500000000 ] - [ 0.0015389900000000, -0.0002942700000000, 0.0001250400000000 ] - [ -0.1410473100000000, 0.0066625200000000, -0.0414508300000000 ] - [ 0.0124985900000000, 0.0019303500000000, -0.0038623500000000 ] - [ -0.0048972800000000, 0.0029402300000000, 0.0025914100000000 ] - [ 0.0031545400000000, -0.0006420800000000, -0.0003090400000000 ] - [ -0.0018846700000000, -0.0053993700000000, -0.0013096100000000 ] - [ 0.0040441200000000, 0.0039885300000000, 0.0040903800000000 ] - [ -0.0036799300000000, -0.0005183600000000, -0.0002712100000000 ] - [ 0.0028536400000000, 0.0000417100000000, 0.0006719800000000 ] - [ -0.0005491500000000, -0.0017068100000000, -0.0005352800000000 ] - [ 0.0018640800000000, 0.0003594400000000, 0.0006897000000000 ] - [ -0.0028645000000000, 0.0004549500000000, -0.0009626700000000 ] - [ 0.0027558000000000, 0.0000822800000000, -0.0011073200000000 ] - [ -0.0038277400000000, 0.0039410200000000, -0.0042460200000000 ] - [ 0.0035053000000000, -0.0035412000000000, 0.0017667100000000 ] - [ -0.0052968900000000, -0.0028678800000000, 0.0020231600000000 ] - [ 0.0033989900000000, -0.0002817900000000, -0.0012554200000000 ] - [ -0.0033126000000000, 0.0065701500000000, -0.0043774700000000 ] - [ 0.0041008800000000, -0.0048083000000000, 0.0053121900000000 ] - [ -0.0041791100000000, -0.0021852700000000, 0.0024305000000000 ] - [ 0.0033105000000000, 0.0008826700000000, -0.0004177900000000 ] - [ -0.0015058800000000, 0.0009193600000000, 0.0007182200000000 ] - [ 0.0018625500000000, -0.0004544600000000, -0.0005157700000000 ] - [ -0.0470534500000000, 0.0456062500000000, 0.0129146600000000 ] - [ 0.0095762500000000, 0.0005641700000000, 0.0014745400000000 ] - [ -0.0004376300000000, 0.0017582200000000, -0.0036690500000000 ] - [ 0.0044932400000000, 0.0006897300000000, 0.0015305700000000 ] - [ -0.0287117100000000, -0.0079350600000000, -0.0132392300000000 ] - [ 0.0066308500000000, -0.0002922800000000, -0.0021874400000000 ] - [ -0.0018122100000000, 0.0005631700000000, -0.0018199200000000 ] - [ 0.0050516900000000, 0.0000734500000000, 0.0026676700000000 ] - [ -0.0006340400000000, 0.0008566100000000, -0.0007706300000000 ] - [ -0.0004982800000000, -0.0008284000000000, -0.0009177900000000 ] - [ 0.0050186100000000, 0.0030313600000000, 0.0050164200000000 ] - [ -0.0025282900000000, 0.0000670300000000, -0.0009157500000000 ] - [ 0.0002047100000000, 0.0011084700000000, -0.0006690700000000 ] - [ -0.0006191700000000, -0.0006208000000000, -0.0007436900000000 ] - [ 0.2599701600000000, -0.0449002600000000, 0.0468602500000000 ] - [ -0.0062194600000000, -0.0001005800000000, -0.0002843800000000 ] - [ -0.0043353800000000, -0.0004325300000000, -0.0106048900000000 ] - [ -0.0017601100000000, -0.0007390800000000, 0.0026398700000000 ] - [ 0.0017228400000000, 0.0000488900000000, -0.0001485000000000 ] - [ -0.0011377100000000, -0.0000831000000000, 0.0000190500000000 ] - [ 0.0000633000000000, 0.0000217900000000, 0.0005747400000000 ] - [ -0.0003739700000000, -0.0009277300000000, 0.0002254600000000 ] - [ 0.0014622300000000, -0.0010163800000000, -0.0013118600000000 ] - [ -0.0018280400000000, 0.0012503400000000, 0.0012326200000000 ] - [ -0.0186381200000000, -0.0110608400000000, -0.0004192400000000 ] - [ -0.0188869000000000, 0.0129075300000000, -0.0020137900000000 ] - [ 0.0033571300000000, -0.0006511400000000, 0.0001077800000000 ] - [ -0.0018137300000000, -0.0001942300000000, 0.0000614300000000 ] - [ 0.0056735600000000, -0.0008574200000000, 0.0007376300000000 ] - [ -0.0048165800000000, 0.0007937400000000, 0.0001653400000000 ] - [ 0.0011138400000000, -0.0000058600000000, 0.0002686100000000 ] - [ -0.0015902400000000, -0.0002658900000000, -0.0000869000000000 ] - [ 0.0023391900000000, 0.0056052900000000, 0.0085894900000000 ] - [ -0.0028922100000000, 0.0000371700000000, -0.0012126900000000 ] - [ 0.0016818000000000, 0.0003031600000000, 0.0007642300000000 ] - [ -0.0012331900000000, 0.0003267800000000, 0.0002201700000000 ] - [ 0.0002064700000000, -0.0001788400000000, 0.0000675700000000 ] - [ -0.0001539100000000, -0.0002068800000000, 0.0001995700000000 ] - [ -0.0172508000000000, -0.0157831600000000, -0.0014940300000000 ] - [ -0.0091368900000000, 0.0066704300000000, 0.0011176800000000 ] - [ 0.0015259300000000, 0.0013663600000000, -0.0017996700000000 ] - [ -0.0017140000000000, -0.0011948600000000, 0.0010487400000000 ] - [ -0.0045634100000000, -0.0000081700000000, -0.0113363800000000 ] - [ -0.0023709600000000, -0.0004747100000000, 0.0012393500000000 ] - [ 0.0046737100000000, 0.0005936300000000, 0.0002533700000000 ] - [ -0.0046809600000000, 0.0007619200000000, 0.0006962900000000 ] - [ 0.0032503200000000, -0.0018410300000000, 0.0041514900000000 ] - [ -0.0031324000000000, 0.0004929000000000, -0.0013797300000000 ] - [ 0.0017477100000000, 0.0002190900000000, 0.0010804200000000 ] - [ -0.0014559500000000, -0.0001105800000000, -0.0001679600000000 ] - [ 0.0010558900000000, -0.0006176700000000, -0.0012594200000000 ] - [ -0.0009804000000000, 0.0008427400000000, 0.0005330100000000 ] - [ 0.0042820900000000, -0.0020501000000000, 0.0031918700000000 ] - [ -0.0026259200000000, 0.0001248600000000, -0.0011854500000000 ] - [ 0.0012318300000000, 0.0016603700000000, -0.0009444900000000 ] - [ -0.0010637400000000, -0.0007049000000000, 0.0013775300000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000205700000000, -0.0029421400000000, -0.0003316000000000 ] - [ 0.0002872700000000, -0.0011494800000000, -0.0001916200000000 ] - [ -0.0129817000000000, 0.0218324300000000, -0.0003454400000000 ] - [ -0.0001442000000000, 0.0083489500000000, 0.0003518300000000 ] - [ -0.0034549000000000, 0.0013706300000000, -0.0028365900000000 ] - [ 0.0007283800000000, 0.0005345600000000, -0.0002195900000000 ] - [ 0.0049532700000000, -0.0078432700000000, -0.0010909700000000 ] - [ -0.0018878100000000, -0.0029971500000000, -0.0016134600000000 ] - [ 0.0007310400000000, -0.0095951600000000, 0.0011743900000000 ] - [ -0.0000236400000000, -0.0024642900000000, 0.0006582900000000 ] - [ 0.0021315700000000, -0.0046055600000000, -0.0018018200000000 ] - [ -0.0003298800000000, -0.0013257300000000, -0.0004886300000000 ] - [ -0.0009436500000000, -0.0082420300000000, -0.0019347700000000 ] - [ 0.0000203100000000, -0.0020317300000000, -0.0005068400000000 ] - [ -0.0036858500000000, -0.0062812400000000, 0.0039667500000000 ] - [ 0.0014015900000000, -0.0027568000000000, 0.0010595900000000 ] - [ 0.0016047900000000, 0.0014152100000000, 0.0007802500000000 ] - [ -0.0000238200000000, 0.0003474700000000, -0.0005851300000000 ] - [ -0.0056947800000000, -0.0049542800000000, 0.0057440300000000 ] - [ 0.0016852500000000, -0.0028900500000000, 0.0027520600000000 ] - [ 0.0019741900000000, 0.0015240200000000, 0.0017604000000000 ] - [ 0.0000716200000000, 0.0011531200000000, 0.0003093200000000 ] - [ -0.0009745800000000, -0.0008708600000000, -0.0009486300000000 ] - [ 0.0009052200000000, -0.0005645500000000, -0.0009023700000000 ] - [ -0.0454235100000000, 0.1075605300000000, 0.0352220500000000 ] - [ -0.0025936300000000, 0.0007805800000000, -0.0012004500000000 ] - [ 0.0012267900000000, 0.0080631400000000, -0.0035009200000000 ] - [ -0.0001510300000000, 0.0022201300000000, -0.0013217500000000 ] - [ 0.0070094400000000, 0.0326338000000000, 0.0210538900000000 ] - [ 0.0019009600000000, 0.0017304200000000, -0.0009447300000000 ] - [ 0.0004480600000000, 0.0065394100000000, -0.0010009100000000 ] - [ 0.0001827200000000, 0.0014058000000000, -0.0000638600000000 ] - [ -0.0007593700000000, -0.0008220300000000, 0.0014320800000000 ] - [ 0.0007586400000000, -0.0007941500000000, -0.0002082800000000 ] - [ -0.0036036200000000, 0.0043683500000000, 0.0126589200000000 ] - [ 0.0006372600000000, 0.0000084000000000, 0.0008871200000000 ] - [ -0.0008666800000000, -0.0007967000000000, 0.0020180500000000 ] - [ 0.0007340300000000, -0.0005171200000000, 0.0001133700000000 ] - [ 0.0472949800000000, -0.2105125100000000, -0.0733408900000000 ] - [ -0.0002145300000000, -0.0029917400000000, -0.0003506300000000 ] - [ 0.0008180500000000, -0.0045297200000000, 0.0002669300000000 ] - [ -0.0000732300000000, -0.0024066600000000, 0.0004331500000000 ] - [ 0.0001604200000000, 0.0036853300000000, -0.0005560800000000 ] - [ 0.0002326600000000, 0.0009044700000000, -0.0002297800000000 ] - [ 0.0002436100000000, 0.0033470700000000, 0.0002578900000000 ] - [ 0.0001424000000000, 0.0031988900000000, 0.0002798500000000 ] - [ 0.0013805300000000, 0.0021918700000000, 0.0019115400000000 ] - [ -0.0014154700000000, 0.0017800800000000, 0.0007603800000000 ] - [ 0.0125100200000000, 0.0016289900000000, 0.0003799500000000 ] - [ -0.0115037700000000, 0.0016382500000000, -0.0006549300000000 ] - [ 0.0006637600000000, -0.0028944100000000, 0.0011172000000000 ] - [ 0.0001273300000000, -0.0009780500000000, 0.0004563100000000 ] - [ 0.0014879600000000, 0.0230568100000000, -0.0009085600000000 ] - [ -0.0001778200000000, 0.0018654300000000, -0.0001525200000000 ] - [ -0.0000696100000000, 0.0035911700000000, -0.0002323700000000 ] - [ -0.0002486200000000, 0.0007284700000000, 0.0002329700000000 ] - [ -0.0069559800000000, 0.0054496900000000, 0.0155252800000000 ] - [ 0.0006194000000000, -0.0004888300000000, 0.0004069600000000 ] - [ 0.0000073600000000, 0.0017332200000000, 0.0005330300000000 ] - [ -0.0000188800000000, 0.0005589600000000, 0.0002622400000000 ] - [ 0.0001283100000000, 0.0009333000000000, 0.0005636500000000 ] - [ 0.0001032000000000, 0.0008566700000000, 0.0005460200000000 ] - [ 0.0141772600000000, 0.0045380700000000, 0.0004492200000000 ] - [ -0.0081259700000000, 0.0015425000000000, -0.0000011000000000 ] - [ -0.0010974400000000, 0.0010449400000000, -0.0017745000000000 ] - [ 0.0004827100000000, 0.0007507300000000, -0.0011011500000000 ] - [ 0.0006068300000000, -0.0040908500000000, 0.0008889500000000 ] - [ -0.0009158100000000, -0.0021723200000000, 0.0002737400000000 ] - [ 0.0002345600000000, 0.0215004900000000, 0.0007372200000000 ] - [ -0.0005751400000000, 0.0020360700000000, 0.0001939900000000 ] - [ 0.0019875900000000, -0.0007614600000000, -0.0070945000000000 ] - [ -0.0009125800000000, -0.0004509700000000, -0.0007709100000000 ] - [ 0.0002789400000000, 0.0013682800000000, 0.0010533900000000 ] - [ -0.0001995600000000, 0.0002392500000000, 0.0002031400000000 ] - [ 0.0015646300000000, 0.0014270700000000, 0.0008931200000000 ] - [ -0.0008454800000000, 0.0013440800000000, 0.0000410900000000 ] - [ 0.0023270000000000, 0.0001131900000000, -0.0085417700000000 ] - [ -0.0004512100000000, -0.0008211200000000, -0.0009076500000000 ] - [ -0.0005602700000000, 0.0015027500000000, -0.0011034300000000 ] - [ 0.0009115500000000, 0.0011499100000000, -0.0008504900000000 ]- atom: 39 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003172100000000, 0.0026301500000000, 0.0003018900000000 ] - [ 0.0000553000000000, 0.0008347600000000, 0.0001564300000000 ] - [ 0.0117879000000000, -0.0219385300000000, 0.0000284800000000 ] - [ -0.0002023700000000, -0.0086593800000000, -0.0003926800000000 ] - [ 0.0035455200000000, -0.0014124800000000, 0.0035197800000000 ] - [ -0.0006192700000000, -0.0006022300000000, 0.0009073100000000 ] - [ -0.0050971600000000, 0.0077528200000000, 0.0018220400000000 ] - [ 0.0017855200000000, 0.0029148000000000, 0.0023060900000000 ] - [ -0.0007949600000000, 0.0096467600000000, -0.0004297800000000 ] - [ -0.0000884400000000, 0.0025386400000000, 0.0000388700000000 ] - [ -0.0014960900000000, 0.0039102100000000, 0.0021701200000000 ] - [ 0.0009566400000000, 0.0006270100000000, 0.0008643400000000 ] - [ 0.0007986400000000, 0.0091543600000000, 0.0003179700000000 ] - [ -0.0001150800000000, 0.0029615800000000, -0.0010543800000000 ] - [ 0.0036163200000000, 0.0053287600000000, -0.0055620300000000 ] - [ -0.0015081600000000, 0.0018145400000000, -0.0026197600000000 ] - [ -0.0015072300000000, -0.0023110100000000, -0.0023351600000000 ] - [ 0.0001303600000000, -0.0012733400000000, -0.0009689600000000 ] - [ 0.0049979900000000, 0.0056914000000000, -0.0053169300000000 ] - [ -0.0023022900000000, 0.0036046000000000, -0.0023718700000000 ] - [ -0.0013416200000000, -0.0008488200000000, -0.0013709000000000 ] - [ 0.0005595800000000, -0.0004513400000000, 0.0000678800000000 ] - [ 0.0013127900000000, 0.0011725500000000, 0.0009173000000000 ] - [ -0.0005660300000000, 0.0008718600000000, 0.0008665400000000 ] - [ 0.0416517800000000, -0.1017566200000000, -0.0328679100000000 ] - [ 0.0022769500000000, -0.0004643200000000, 0.0011638300000000 ] - [ -0.0011144500000000, -0.0071381800000000, 0.0019286100000000 ] - [ 0.0002296100000000, -0.0012913000000000, -0.0002386300000000 ] - [ -0.0085936500000000, -0.0343805800000000, -0.0222934800000000 ] - [ -0.0025269800000000, -0.0024423000000000, 0.0013279800000000 ] - [ -0.0003491900000000, -0.0064529600000000, 0.0016939700000000 ] - [ -0.0000497400000000, -0.0013358300000000, 0.0007654200000000 ] - [ 0.0006337100000000, 0.0009201400000000, -0.0013187600000000 ] - [ -0.0008786900000000, 0.0008887700000000, 0.0003382100000000 ] - [ 0.0039854000000000, -0.0036260500000000, -0.0122559400000000 ] - [ -0.0002281300000000, 0.0007555700000000, -0.0005705000000000 ] - [ 0.0014057900000000, 0.0013228700000000, -0.0013739500000000 ] - [ -0.0001984400000000, 0.0010438600000000, 0.0005126300000000 ] - [ -0.0420817700000000, 0.2053870100000000, 0.0732565300000000 ] - [ 0.0000863100000000, 0.0024973400000000, 0.0007180700000000 ] - [ -0.0004610600000000, 0.0037504100000000, -0.0000145800000000 ] - [ 0.0004884900000000, 0.0016333900000000, -0.0001110200000000 ] - [ 0.0004060600000000, -0.0039930300000000, 0.0004620900000000 ] - [ 0.0003488400000000, -0.0012167700000000, 0.0001100700000000 ] - [ -0.0007507600000000, -0.0038790300000000, 0.0003695000000000 ] - [ -0.0007050500000000, -0.0037302400000000, 0.0003539700000000 ] - [ -0.0018027000000000, -0.0014117800000000, -0.0016075900000000 ] - [ 0.0010008700000000, -0.0010040800000000, -0.0004463500000000 ] - [ -0.0125898600000000, -0.0011761600000000, -0.0000316200000000 ] - [ 0.0113143300000000, -0.0011669800000000, 0.0010330100000000 ] - [ -0.0001202000000000, 0.0023537700000000, -0.0004844300000000 ] - [ 0.0004111800000000, 0.0004410500000000, 0.0001755000000000 ] - [ -0.0013315100000000, -0.0226449700000000, 0.0010291300000000 ] - [ 0.0002976900000000, -0.0017813300000000, 0.0002776000000000 ] - [ -0.0003326000000000, -0.0043562900000000, 0.0005185300000000 ] - [ -0.0001712600000000, -0.0014987500000000, 0.0000834900000000 ] - [ 0.0068962400000000, -0.0049293900000000, -0.0164506500000000 ] - [ -0.0007180700000000, 0.0009837700000000, -0.0012090700000000 ] - [ 0.0001140700000000, -0.0012307600000000, -0.0001692000000000 ] - [ 0.0001408500000000, -0.0000616300000000, 0.0001043500000000 ] - [ -0.0000079900000000, -0.0014275700000000, -0.0001964400000000 ] - [ 0.0000222500000000, -0.0013511800000000, -0.0001784400000000 ] - [ -0.0141591700000000, -0.0046212300000000, -0.0003239200000000 ] - [ 0.0082973700000000, -0.0016155900000000, 0.0001213200000000 ] - [ 0.0009852800000000, -0.0015435500000000, 0.0009604600000000 ] - [ -0.0005838800000000, -0.0012489300000000, 0.0003032800000000 ] - [ -0.0011300700000000, 0.0037780300000000, -0.0009534700000000 ] - [ 0.0003319500000000, 0.0018618200000000, -0.0003948900000000 ] - [ -0.0007762400000000, -0.0212419200000000, -0.0001191300000000 ] - [ 0.0000340100000000, -0.0014973200000000, 0.0004377700000000 ] - [ -0.0025535300000000, 0.0010317100000000, 0.0069545800000000 ] - [ 0.0003340900000000, 0.0007562800000000, 0.0006458600000000 ] - [ -0.0004006800000000, -0.0014650900000000, -0.0009254900000000 ] - [ 0.0000740400000000, -0.0003309800000000, -0.0000791500000000 ] - [ -0.0014504300000000, -0.0009469700000000, -0.0016765100000000 ] - [ 0.0009418000000000, -0.0008585900000000, -0.0008342900000000 ] - [ -0.0022274900000000, -0.0005722700000000, 0.0077778100000000 ] - [ 0.0005473200000000, 0.0003375500000000, 0.0001136800000000 ] - [ 0.0011458500000000, -0.0011787900000000, 0.0009927400000000 ] - [ -0.0003336100000000, -0.0008317200000000, 0.0007328300000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000604000000000, -0.0004382700000000, -0.0025279000000000 ] - [ 0.0000132200000000, -0.0003291200000000, -0.0010535700000000 ] - [ 0.0402088200000000, 0.0018472300000000, 0.0293372200000000 ] - [ 0.0003598300000000, 0.0009663800000000, 0.0030974900000000 ] - [ -0.0026810200000000, -0.0030972600000000, -0.0071929900000000 ] - [ 0.0003371700000000, -0.0001489700000000, -0.0008912500000000 ] - [ 0.0034840800000000, -0.0048851600000000, 0.0050955900000000 ] - [ -0.0012683500000000, -0.0010107300000000, 0.0009799400000000 ] - [ 0.0001984700000000, -0.0012454200000000, 0.0021541700000000 ] - [ -0.0000366800000000, -0.0004832700000000, 0.0012379900000000 ] - [ 0.0030723200000000, -0.0047493900000000, -0.0034113000000000 ] - [ -0.0005674000000000, -0.0008693100000000, -0.0009976800000000 ] - [ 0.0001650800000000, -0.0009203000000000, 0.0017754500000000 ] - [ -0.0000829900000000, 0.0000391100000000, 0.0005377100000000 ] - [ 0.0021434100000000, 0.0019744400000000, 0.0041994600000000 ] - [ -0.0008826300000000, -0.0001675100000000, 0.0009173900000000 ] - [ -0.0009419500000000, 0.0036854900000000, -0.0076114300000000 ] - [ 0.0000539100000000, -0.0000076500000000, -0.0023533100000000 ] - [ 0.0021699000000000, 0.0025614500000000, 0.0047008100000000 ] - [ -0.0013008800000000, 0.0006436100000000, 0.0015060600000000 ] - [ -0.0013118400000000, 0.0041838300000000, -0.0056887600000000 ] - [ 0.0002655300000000, 0.0008511200000000, -0.0009965100000000 ] - [ -0.0001029700000000, -0.0006172400000000, -0.0037809700000000 ] - [ 0.0005550200000000, -0.0000448400000000, -0.0017838300000000 ] - [ -0.0112309500000000, 0.0318126600000000, 0.0287961100000000 ] - [ -0.0016288200000000, -0.0001414400000000, 0.0008770000000000 ] - [ 0.0043459700000000, 0.0026993500000000, -0.0087642300000000 ] - [ -0.0043109100000000, 0.0005654300000000, -0.0041319600000000 ] - [ 0.0118174100000000, 0.0184636400000000, 0.0384446600000000 ] - [ -0.0000558400000000, -0.0001963600000000, 0.0016571300000000 ] - [ 0.0042813100000000, 0.0013607100000000, -0.0069438000000000 ] - [ -0.0042633700000000, 0.0002727100000000, -0.0030285600000000 ] - [ -0.0002640800000000, -0.0011816600000000, 0.0037164200000000 ] - [ -0.0004159600000000, 0.0007850600000000, 0.0033219100000000 ] - [ -0.0061519600000000, 0.0118997800000000, 0.0154579500000000 ] - [ 0.0010415900000000, 0.0008575700000000, 0.0003580800000000 ] - [ -0.0006784700000000, -0.0011303800000000, 0.0045364600000000 ] - [ 0.0006572400000000, 0.0008969800000000, 0.0034787600000000 ] - [ -0.0478592700000000, -0.0726702800000000, -0.1368397200000000 ] - [ 0.0004047100000000, -0.0007797600000000, -0.0005408000000000 ] - [ 0.0107598600000000, -0.0010754000000000, 0.0109148200000000 ] - [ -0.0012414200000000, -0.0007110600000000, 0.0002709800000000 ] - [ 0.0003129200000000, 0.0007715200000000, -0.0010198300000000 ] - [ 0.0005999200000000, 0.0000312000000000, -0.0003621300000000 ] - [ -0.0003408600000000, 0.0001531900000000, -0.0007609700000000 ] - [ 0.0000552400000000, 0.0002424000000000, -0.0007306000000000 ] - [ 0.0011133000000000, 0.0023203100000000, 0.0004040100000000 ] - [ -0.0015802500000000, 0.0011254900000000, -0.0000822400000000 ] - [ 0.0020813200000000, 0.0010734900000000, -0.0042617900000000 ] - [ 0.0005590000000000, 0.0000323400000000, -0.0042444400000000 ] - [ 0.0005694600000000, -0.0002711800000000, 0.0061786300000000 ] - [ 0.0003520000000000, -0.0003059600000000, 0.0013719500000000 ] - [ -0.0006625700000000, 0.0019054800000000, -0.0045344200000000 ] - [ 0.0003253100000000, 0.0002539500000000, -0.0005521300000000 ] - [ -0.0001716100000000, 0.0005890200000000, -0.0002814800000000 ] - [ 0.0000544800000000, -0.0002153000000000, 0.0001613200000000 ] - [ -0.0097127300000000, 0.0136137500000000, 0.0147442800000000 ] - [ 0.0009385000000000, 0.0006421900000000, -0.0005996000000000 ] - [ 0.0006415000000000, -0.0001072800000000, 0.0031289700000000 ] - [ 0.0000969700000000, 0.0001675900000000, 0.0007631200000000 ] - [ -0.0000563800000000, 0.0001326400000000, 0.0011334500000000 ] - [ 0.0000771200000000, 0.0001147200000000, 0.0011198800000000 ] - [ 0.0026729200000000, 0.0011296600000000, -0.0040805800000000 ] - [ -0.0007018900000000, -0.0003969100000000, -0.0035568900000000 ] - [ 0.0006046600000000, -0.0014437900000000, -0.0007788500000000 ] - [ -0.0006235100000000, -0.0003511000000000, -0.0009562800000000 ] - [ 0.0102944700000000, -0.0010120200000000, 0.0118145100000000 ] - [ -0.0018512900000000, -0.0007468200000000, 0.0003580000000000 ] - [ -0.0002796400000000, 0.0033590100000000, -0.0035265300000000 ] - [ -0.0000433300000000, 0.0005660200000000, -0.0004694700000000 ] - [ -0.0043813600000000, -0.0058764400000000, 0.0086131300000000 ] - [ 0.0006354100000000, -0.0004762300000000, 0.0001950800000000 ] - [ 0.0010709100000000, 0.0007263200000000, 0.0041224800000000 ] - [ 0.0000377500000000, 0.0000734600000000, 0.0007692500000000 ] - [ 0.0013404000000000, 0.0016968800000000, 0.0000641300000000 ] - [ -0.0010729400000000, 0.0008202000000000, -0.0003886300000000 ] - [ -0.0038767800000000, -0.0075574600000000, 0.0091887500000000 ] - [ 0.0010074600000000, -0.0009619100000000, -0.0002669600000000 ] - [ 0.0010794000000000, -0.0012077600000000, -0.0006967000000000 ] - [ -0.0002827900000000, -0.0000764100000000, -0.0008114200000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002749100000000, 0.0001217700000000, 0.0024877300000000 ] - [ 0.0003283300000000, 0.0000146100000000, 0.0010113000000000 ] - [ -0.0402697700000000, -0.0022152600000000, -0.0297873600000000 ] - [ -0.0007071900000000, -0.0012819900000000, -0.0031165800000000 ] - [ 0.0027701900000000, 0.0030056900000000, 0.0078616700000000 ] - [ -0.0002224200000000, 0.0000767300000000, 0.0015884500000000 ] - [ -0.0035950000000000, 0.0048246800000000, -0.0044449000000000 ] - [ 0.0011589400000000, 0.0009307200000000, -0.0003151500000000 ] - [ -0.0003201200000000, 0.0013250600000000, -0.0014997600000000 ] - [ -0.0000681600000000, 0.0005593200000000, -0.0005604200000000 ] - [ -0.0024288600000000, 0.0040205300000000, 0.0037912500000000 ] - [ 0.0011935300000000, 0.0001606100000000, 0.0013838900000000 ] - [ -0.0002578200000000, 0.0018541100000000, -0.0032933200000000 ] - [ -0.0000182500000000, 0.0008907600000000, -0.0020785900000000 ] - [ -0.0022464700000000, -0.0029141100000000, -0.0057155900000000 ] - [ 0.0007823900000000, -0.0007639600000000, -0.0024516200000000 ] - [ 0.0010442100000000, -0.0046408100000000, 0.0060560800000000 ] - [ 0.0000457000000000, -0.0009250100000000, 0.0007880600000000 ] - [ -0.0027932400000000, -0.0018331100000000, -0.0043783500000000 ] - [ 0.0006669000000000, 0.0000688100000000, -0.0011538400000000 ] - [ 0.0019406700000000, -0.0034563400000000, 0.0060674900000000 ] - [ 0.0003693700000000, -0.0001426900000000, 0.0013829100000000 ] - [ 0.0004475000000000, 0.0009422600000000, 0.0037371700000000 ] - [ -0.0002247000000000, 0.0003638800000000, 0.0017441900000000 ] - [ 0.0107412000000000, -0.0312478000000000, -0.0291770400000000 ] - [ 0.0013114000000000, 0.0004542000000000, -0.0008942300000000 ] - [ -0.0042609600000000, -0.0017768100000000, 0.0072041100000000 ] - [ 0.0044349200000000, 0.0003677300000000, 0.0025725600000000 ] - [ -0.0136027500000000, -0.0209502200000000, -0.0395351900000000 ] - [ -0.0005704900000000, -0.0005112100000000, -0.0012986700000000 ] - [ -0.0041567900000000, -0.0012761200000000, 0.0076319200000000 ] - [ 0.0043490500000000, -0.0002031500000000, 0.0037179100000000 ] - [ 0.0001479500000000, 0.0012652300000000, -0.0035889800000000 ] - [ 0.0002832700000000, -0.0007025000000000, -0.0032034300000000 ] - [ 0.0064720500000000, -0.0109595900000000, -0.0149450200000000 ] - [ -0.0006242300000000, -0.0000834700000000, -0.0000534000000000 ] - [ 0.0012062700000000, 0.0016704100000000, -0.0039051300000000 ] - [ -0.0001081000000000, -0.0003538400000000, -0.0028411500000000 ] - [ 0.0487092600000000, 0.0738848200000000, 0.1394967400000000 ] - [ -0.0005302800000000, 0.0002889200000000, 0.0009078400000000 ] - [ -0.0102022800000000, 0.0002927400000000, -0.0104790600000000 ] - [ 0.0016509700000000, -0.0000603400000000, 0.0000348100000000 ] - [ 0.0002701100000000, -0.0010774700000000, 0.0008813100000000 ] - [ -0.0000199600000000, -0.0003420100000000, 0.0002344600000000 ] - [ -0.0002049000000000, -0.0006937700000000, 0.0013954200000000 ] - [ -0.0005924300000000, -0.0007772700000000, 0.0013642900000000 ] - [ -0.0015338800000000, -0.0015603800000000, -0.0000745500000000 ] - [ 0.0011741000000000, -0.0003596100000000, 0.0004110500000000 ] - [ -0.0022949300000000, -0.0006146300000000, 0.0046027200000000 ] - [ -0.0006443400000000, 0.0004437200000000, 0.0046203100000000 ] - [ -0.0000275200000000, -0.0002660500000000, -0.0055415000000000 ] - [ 0.0001859900000000, -0.0002298600000000, -0.0007406200000000 ] - [ 0.0007890700000000, -0.0018804900000000, 0.0046464900000000 ] - [ -0.0002028000000000, -0.0001714300000000, 0.0006771800000000 ] - [ -0.0002464300000000, -0.0013646200000000, 0.0006199500000000 ] - [ -0.0004703800000000, -0.0005551700000000, 0.0001646300000000 ] - [ 0.0097506600000000, -0.0133455200000000, -0.0157393400000000 ] - [ -0.0010442200000000, -0.0001577100000000, -0.0001852600000000 ] - [ -0.0005173500000000, 0.0005951700000000, -0.0027603400000000 ] - [ 0.0000251900000000, 0.0003256200000000, -0.0003948600000000 ] - [ 0.0001753400000000, -0.0006275500000000, -0.0007647800000000 ] - [ 0.0000489400000000, -0.0006098600000000, -0.0007520500000000 ] - [ -0.0024852200000000, -0.0011797600000000, 0.0042280400000000 ] - [ 0.0008086900000000, 0.0003207400000000, 0.0036837800000000 ] - [ -0.0007074900000000, 0.0009612300000000, -0.0000024800000000 ] - [ 0.0005231300000000, -0.0001377800000000, 0.0001742800000000 ] - [ -0.0110151500000000, 0.0006993000000000, -0.0120814900000000 ] - [ 0.0012772900000000, 0.0004364600000000, -0.0004684200000000 ] - [ -0.0002589200000000, -0.0028041700000000, 0.0041782900000000 ] - [ -0.0004976000000000, -0.0000262300000000, 0.0011035100000000 ] - [ 0.0038682000000000, 0.0062847500000000, -0.0088296500000000 ] - [ -0.0012207300000000, 0.0007942700000000, -0.0003079300000000 ] - [ -0.0011915000000000, -0.0008057100000000, -0.0039903000000000 ] - [ -0.0001614100000000, -0.0001602900000000, -0.0006447200000000 ] - [ -0.0012329400000000, -0.0011980900000000, -0.0008716500000000 ] - [ 0.0011642900000000, -0.0003254500000000, -0.0004181700000000 ] - [ 0.0039256800000000, 0.0069585300000000, -0.0098733400000000 ] - [ -0.0009001800000000, 0.0004667500000000, -0.0005355500000000 ] - [ -0.0004975800000000, 0.0015128800000000, 0.0005627100000000 ] - [ 0.0008601000000000, 0.0003862500000000, 0.0006792800000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006159800000000, -0.0000904500000000, -0.0039128100000000 ] - [ -0.0043069500000000, -0.0004262300000000, 0.0019912700000000 ] - [ -0.0000320600000000, -0.0008951100000000, 0.0007886600000000 ] - [ -0.0007774500000000, 0.0007237400000000, -0.0014618400000000 ] - [ 0.0034499300000000, 0.0055054300000000, -0.0028294100000000 ] - [ -0.0033959300000000, -0.0047508200000000, 0.0036821000000000 ] - [ -0.0019004700000000, -0.0007772000000000, 0.0025605900000000 ] - [ -0.0011712500000000, 0.0030271300000000, -0.0017802200000000 ] - [ 0.0082457400000000, -0.0002597200000000, 0.0012441300000000 ] - [ -0.0043293800000000, 0.0001542000000000, 0.0007572700000000 ] - [ 0.0398912400000000, 0.0201451500000000, -0.0214270100000000 ] - [ -0.0082785500000000, -0.0006339000000000, -0.0025564400000000 ] - [ 0.0721525000000000, -0.0037095000000000, -0.0226179500000000 ] - [ -0.0114201100000000, -0.0003623500000000, -0.0057773700000000 ] - [ 0.0345730500000000, -0.0213897700000000, 0.0056367000000000 ] - [ -0.0090419900000000, -0.0006165900000000, 0.0016673200000000 ] - [ 0.0034118800000000, 0.0000239200000000, -0.0008223900000000 ] - [ -0.0024724900000000, -0.0010441600000000, -0.0004744900000000 ] - [ -0.0028076700000000, 0.0011803600000000, 0.0024628500000000 ] - [ -0.0009559800000000, -0.0025422300000000, -0.0016217700000000 ] - [ 0.0035369700000000, -0.0062678100000000, -0.0040670700000000 ] - [ -0.0038746000000000, 0.0052027000000000, 0.0047313800000000 ] - [ 0.0057349400000000, 0.0037285200000000, 0.0030455400000000 ] - [ -0.0030646400000000, -0.0002163400000000, -0.0005623300000000 ] - [ 0.0064448800000000, 0.0007707900000000, -0.0020120300000000 ] - [ -0.0037629000000000, -0.0000760000000000, 0.0000468200000000 ] - [ 0.0001051800000000, 0.0004184400000000, -0.0008034500000000 ] - [ -0.0004239300000000, 0.0005619600000000, 0.0000129800000000 ] - [ 0.0036788700000000, -0.0019667400000000, 0.0013191100000000 ] - [ -0.0028848200000000, -0.0000105900000000, 0.0001132700000000 ] - [ 0.0028895800000000, 0.0002940400000000, 0.0003078700000000 ] - [ -0.0027918200000000, 0.0000770700000000, 0.0004032400000000 ] - [ 0.0009132900000000, 0.0006378200000000, 0.0009757900000000 ] - [ -0.0008944000000000, -0.0011436000000000, -0.0010706400000000 ] - [ -0.0053198500000000, -0.0000169300000000, 0.0002723900000000 ] - [ 0.0048781500000000, 0.0005054700000000, 0.0002803300000000 ] - [ -0.0015020800000000, 0.0017107500000000, -0.0013100100000000 ] - [ 0.0020609900000000, -0.0008115200000000, 0.0020171700000000 ] - [ -0.0014949700000000, -0.0003694500000000, 0.0002087900000000 ] - [ 0.0013675900000000, -0.0003056700000000, 0.0004916900000000 ] - [ 0.0000370100000000, -0.0001535700000000, 0.0006029100000000 ] - [ 0.0000720600000000, -0.0007699900000000, -0.0001287000000000 ] - [ -0.2004441700000000, 0.0062382500000000, 0.0580379200000000 ] - [ 0.0062269800000000, -0.0002374300000000, -0.0003841600000000 ] - [ 0.0029128600000000, -0.0002827700000000, -0.0025286300000000 ] - [ 0.0041822000000000, -0.0005157500000000, 0.0130413100000000 ] - [ -0.0031486200000000, -0.0007503000000000, -0.0004561000000000 ] - [ 0.0014634200000000, 0.0005358100000000, -0.0001206900000000 ] - [ 0.0012915000000000, -0.0003763700000000, -0.0003928800000000 ] - [ -0.0010055300000000, 0.0011010200000000, 0.0009737400000000 ] - [ -0.0011396600000000, -0.0003855400000000, -0.0000878100000000 ] - [ 0.0016661600000000, -0.0002785000000000, 0.0002227400000000 ] - [ -0.0013324900000000, -0.0064336300000000, -0.0109108400000000 ] - [ 0.0026371300000000, 0.0006367700000000, 0.0006706700000000 ] - [ -0.0003242100000000, -0.0003074200000000, -0.0010194400000000 ] - [ 0.0019367700000000, -0.0002390000000000, 0.0007585400000000 ] - [ 0.0000381800000000, 0.0012120900000000, -0.0013483600000000 ] - [ 0.0005265900000000, -0.0001219100000000, -0.0003598900000000 ] - [ -0.0035314700000000, 0.0025153000000000, 0.0043005900000000 ] - [ 0.0029088600000000, -0.0003766500000000, -0.0007406500000000 ] - [ 0.0043543800000000, -0.0011170100000000, -0.0104413700000000 ] - [ 0.0021328900000000, 0.0003784800000000, 0.0017562400000000 ] - [ -0.0018656100000000, -0.0013743100000000, 0.0018354900000000 ] - [ 0.0018403900000000, 0.0008215600000000, -0.0016312700000000 ] - [ -0.0027668400000000, 0.0007616300000000, -0.0002693100000000 ] - [ 0.0016570100000000, -0.0004115900000000, -0.0008609000000000 ] - [ -0.0015297600000000, -0.0001713000000000, -0.0004394300000000 ] - [ 0.0008745100000000, -0.0001213600000000, 0.0001040300000000 ] - [ -0.0040260700000000, 0.0065697200000000, -0.0100824500000000 ] - [ 0.0029986200000000, -0.0002338100000000, 0.0010446500000000 ] - [ -0.0004466900000000, -0.0005876300000000, -0.0006772200000000 ] - [ 0.0002184400000000, 0.0005075700000000, -0.0000733800000000 ] - [ -0.0038909600000000, -0.0027125500000000, 0.0040904400000000 ] - [ 0.0030031900000000, 0.0005755500000000, -0.0010332900000000 ] - [ 0.0154517900000000, -0.0100376500000000, 0.0039484100000000 ] - [ 0.0152536400000000, 0.0120818500000000, -0.0045232400000000 ] - [ -0.0059026700000000, -0.0003552100000000, -0.0000822400000000 ] - [ 0.0050674400000000, -0.0005275000000000, -0.0001629800000000 ] - [ 0.0178981600000000, 0.0112400900000000, -0.0015144800000000 ] - [ 0.0176581200000000, -0.0122817500000000, -0.0010279900000000 ]- atom: 43 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002376000000000, -0.0002212000000000, 0.0038538200000000 ] - [ 0.0046307000000000, 0.0001093400000000, -0.0020387400000000 ] - [ -0.0002839800000000, 0.0005740700000000, -0.0008170400000000 ] - [ 0.0004208700000000, -0.0010431800000000, 0.0014322200000000 ] - [ -0.0032747800000000, -0.0055519000000000, 0.0034943000000000 ] - [ 0.0034873800000000, 0.0046913600000000, -0.0030083300000000 ] - [ 0.0018313300000000, 0.0007014200000000, -0.0018638900000000 ] - [ 0.0010505300000000, -0.0030968900000000, 0.0024695500000000 ] - [ -0.0083623200000000, 0.0003268500000000, -0.0005841000000000 ] - [ 0.0042165600000000, -0.0000814500000000, -0.0000591400000000 ] - [ -0.0393924500000000, -0.0217482400000000, 0.0226626200000000 ] - [ 0.0088890700000000, -0.0000715400000000, 0.0029093600000000 ] - [ -0.0674090100000000, 0.0042628600000000, 0.0185031500000000 ] - [ 0.0113399800000000, 0.0012944000000000, 0.0042590800000000 ] - [ -0.0346494900000000, 0.0212269400000000, -0.0076192900000000 ] - [ 0.0089188100000000, -0.0003155400000000, -0.0031951100000000 ] - [ -0.0033245500000000, -0.0009638300000000, -0.0007201200000000 ] - [ 0.0025730000000000, 0.0001162200000000, -0.0010871400000000 ] - [ 0.0022053900000000, -0.0004707800000000, -0.0020788300000000 ] - [ 0.0003111900000000, 0.0032473900000000, 0.0020003200000000 ] - [ -0.0028301200000000, 0.0069421600000000, 0.0044161800000000 ] - [ 0.0044922200000000, -0.0045104400000000, -0.0043745100000000 ] - [ -0.0054195300000000, -0.0034042000000000, -0.0030599000000000 ] - [ 0.0034056900000000, 0.0005262300000000, 0.0005144300000000 ] - [ -0.0067843000000000, -0.0004865800000000, 0.0019362200000000 ] - [ 0.0034218500000000, 0.0003965900000000, -0.0000687400000000 ] - [ 0.0000185800000000, 0.0005111900000000, -0.0007558800000000 ] - [ 0.0005146600000000, 0.0003676500000000, -0.0015679900000000 ] - [ -0.0043194600000000, 0.0012675400000000, -0.0009477300000000 ] - [ 0.0022503300000000, -0.0006978300000000, 0.0002717700000000 ] - [ -0.0028275300000000, -0.0002205400000000, 0.0004135200000000 ] - [ 0.0029013000000000, -0.0000055000000000, 0.0002757900000000 ] - [ -0.0010485300000000, -0.0005448500000000, -0.0008406800000000 ] - [ 0.0007853600000000, 0.0012317100000000, 0.0011940200000000 ] - [ 0.0057187600000000, 0.0008710700000000, 0.0000302600000000 ] - [ -0.0044617100000000, 0.0002496800000000, 0.0000370300000000 ] - [ 0.0020605900000000, -0.0011745900000000, 0.0019430900000000 ] - [ -0.0015268900000000, 0.0013380500000000, -0.0013675000000000 ] - [ 0.0013666100000000, -0.0001240900000000, 0.0001658000000000 ] - [ -0.0014865400000000, -0.0001892600000000, -0.0001282300000000 ] - [ 0.0003560500000000, -0.0006135300000000, -0.0002802800000000 ] - [ 0.0003657500000000, 0.0000017800000000, 0.0004498400000000 ] - [ 0.1963944500000000, -0.0060406900000000, -0.0559222200000000 ] - [ -0.0056380600000000, -0.0000759100000000, 0.0002601100000000 ] - [ -0.0034531100000000, -0.0002559600000000, 0.0031317900000000 ] - [ -0.0047234400000000, -0.0000200800000000, -0.0124962300000000 ] - [ 0.0027399500000000, 0.0015203900000000, 0.0007731600000000 ] - [ -0.0018809800000000, 0.0002358600000000, 0.0004352000000000 ] - [ -0.0014243300000000, 0.0008688400000000, 0.0007498000000000 ] - [ 0.0008954300000000, -0.0006052800000000, -0.0006038400000000 ] - [ 0.0016642400000000, -0.0001491700000000, 0.0007067500000000 ] - [ -0.0011193200000000, -0.0002586000000000, 0.0004156200000000 ] - [ 0.0013696300000000, 0.0065168100000000, 0.0110368700000000 ] - [ -0.0025080500000000, -0.0005485800000000, -0.0005553400000000 ] - [ -0.0001023600000000, -0.0004620000000000, 0.0013386200000000 ] - [ -0.0023476000000000, -0.0005315900000000, -0.0004391500000000 ] - [ -0.0001480600000000, -0.0007276900000000, 0.0005545600000000 ] - [ -0.0006214100000000, 0.0006117100000000, -0.0004381400000000 ] - [ 0.0036046000000000, -0.0020256600000000, -0.0039481100000000 ] - [ -0.0027818100000000, 0.0008700200000000, 0.0011156900000000 ] - [ -0.0042093300000000, 0.0006201000000000, 0.0108675900000000 ] - [ -0.0020176100000000, -0.0008696400000000, -0.0013723900000000 ] - [ 0.0020039800000000, 0.0012838500000000, -0.0017120000000000 ] - [ -0.0017206200000000, -0.0009036700000000, 0.0017358100000000 ] - [ 0.0026722700000000, -0.0012517900000000, -0.0005284600000000 ] - [ -0.0017610800000000, -0.0000807300000000, 0.0000638800000000 ] - [ 0.0009549800000000, -0.0001403900000000, 0.0003179600000000 ] - [ -0.0014560800000000, -0.0001906500000000, -0.0002243200000000 ] - [ 0.0034048700000000, -0.0060263500000000, 0.0107147400000000 ] - [ -0.0035319000000000, 0.0007696500000000, -0.0004230700000000 ] - [ -0.0001421000000000, 0.0009037800000000, 0.0005497800000000 ] - [ -0.0007918100000000, -0.0001968400000000, -0.0000471100000000 ] - [ 0.0037232800000000, 0.0026472400000000, -0.0039959500000000 ] - [ -0.0031260800000000, -0.0006643700000000, 0.0011688100000000 ] - [ -0.0151452600000000, 0.0103515000000000, -0.0047054500000000 ] - [ -0.0153387800000000, -0.0117624000000000, 0.0037742500000000 ] - [ 0.0059995500000000, -0.0002401000000000, -0.0007310500000000 ] - [ -0.0049622700000000, 0.0000539500000000, -0.0006248800000000 ] - [ -0.0170648300000000, -0.0107301400000000, 0.0013798700000000 ] - [ -0.0173047300000000, 0.0127860400000000, 0.0009076600000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014644900000000, 0.0062113900000000, 0.0020632100000000 ] - [ -0.0002833100000000, 0.0013433100000000, 0.0007880400000000 ] - [ -0.0004651000000000, -0.0039454400000000, 0.0000186100000000 ] - [ 0.0001393200000000, -0.0038772700000000, 0.0000231700000000 ] - [ 0.0057486600000000, -0.0067267900000000, 0.0038993400000000 ] - [ -0.0016377400000000, -0.0033744900000000, 0.0017986000000000 ] - [ -0.0048049900000000, 0.0011451700000000, 0.0031177900000000 ] - [ 0.0012453000000000, 0.0004569500000000, 0.0015993700000000 ] - [ -0.0003758400000000, 0.0079121800000000, 0.0016557400000000 ] - [ 0.0000033400000000, 0.0011115000000000, 0.0006132800000000 ] - [ 0.0213153800000000, 0.0496273500000000, -0.0301861000000000 ] - [ 0.0030159100000000, 0.0018243000000000, 0.0017510500000000 ] - [ -0.0044877500000000, 0.0246111900000000, -0.0021910500000000 ] - [ 0.0001744500000000, 0.0072855700000000, -0.0021057400000000 ] - [ -0.0210088800000000, 0.0618650200000000, -0.0231894600000000 ] - [ -0.0024261800000000, 0.0006195800000000, 0.0008461200000000 ] - [ -0.0013814700000000, -0.0033489100000000, 0.0017732500000000 ] - [ 0.0003108700000000, -0.0009380000000000, -0.0000940700000000 ] - [ 0.0029838800000000, 0.0014104500000000, -0.0014796600000000 ] - [ -0.0008675400000000, 0.0022097000000000, 0.0002062500000000 ] - [ -0.0059985600000000, -0.0056676800000000, -0.0054338200000000 ] - [ 0.0020328100000000, -0.0024937800000000, -0.0025155100000000 ] - [ 0.0022744500000000, 0.0015871700000000, -0.0025208600000000 ] - [ 0.0000088800000000, 0.0008167700000000, -0.0002602200000000 ] - [ -0.0009850300000000, -0.0097174500000000, -0.0096764700000000 ] - [ 0.0004000400000000, -0.0003995900000000, -0.0010887400000000 ] - [ 0.0001164400000000, -0.0020753400000000, -0.0002609500000000 ] - [ -0.0001103000000000, -0.0016228100000000, -0.0003203200000000 ] - [ 0.0007907600000000, -0.0051280600000000, 0.0024015800000000 ] - [ -0.0004873000000000, -0.0011972900000000, 0.0006585400000000 ] - [ 0.0000523000000000, -0.0114720200000000, 0.0000112100000000 ] - [ 0.0001418500000000, -0.0024216800000000, 0.0000569000000000 ] - [ 0.0002637000000000, 0.0011676300000000, 0.0004805700000000 ] - [ -0.0012788700000000, 0.0014490900000000, 0.0014533200000000 ] - [ 0.0005466300000000, 0.0274544600000000, -0.0041681000000000 ] - [ -0.0000672800000000, 0.0018538500000000, 0.0002714100000000 ] - [ 0.0019298300000000, 0.0025745100000000, -0.0017196300000000 ] - [ -0.0005420300000000, 0.0017801600000000, -0.0006534000000000 ] - [ -0.0002620200000000, 0.0035907200000000, 0.0010965300000000 ] - [ -0.0001363100000000, 0.0008130500000000, 0.0003690300000000 ] - [ 0.0002795400000000, 0.0030318000000000, 0.0004181300000000 ] - [ 0.0000868500000000, 0.0031049100000000, 0.0004987800000000 ] - [ 0.0083384300000000, -0.1919763000000000, 0.0765243600000000 ] - [ 0.0002061000000000, -0.0028564800000000, 0.0006224500000000 ] - [ 0.0000456200000000, -0.0027347600000000, -0.0001582700000000 ] - [ -0.0020491000000000, -0.0049736900000000, -0.0017285200000000 ] - [ -0.0016169800000000, -0.0001064000000000, -0.0014416500000000 ] - [ -0.0001791500000000, 0.0000320400000000, -0.0001872400000000 ] - [ -0.0009215700000000, 0.0012418200000000, 0.0004142700000000 ] - [ 0.0014442300000000, 0.0015921100000000, 0.0015369200000000 ] - [ 0.0000208500000000, 0.0040107200000000, 0.0003821900000000 ] - [ 0.0002576500000000, 0.0008800800000000, 0.0003848800000000 ] - [ -0.0067238900000000, 0.0016777400000000, 0.0156314300000000 ] - [ 0.0000443200000000, -0.0008360700000000, 0.0006859600000000 ] - [ -0.0000291900000000, -0.0038763400000000, -0.0004999400000000 ] - [ -0.0004886100000000, -0.0010473800000000, -0.0004792400000000 ] - [ 0.0009740800000000, 0.0026884800000000, -0.0022844200000000 ] - [ -0.0005276700000000, 0.0007318400000000, -0.0007176300000000 ] - [ 0.0020552200000000, -0.0006717300000000, 0.0062691500000000 ] - [ -0.0002764900000000, -0.0003594300000000, 0.0008203800000000 ] - [ 0.0002312300000000, -0.0041812500000000, -0.0006885200000000 ] - [ -0.0002598000000000, -0.0022644500000000, -0.0004097300000000 ] - [ -0.0016727900000000, 0.0019908500000000, -0.0018419200000000 ] - [ 0.0010111200000000, 0.0009719900000000, -0.0007116800000000 ] - [ 0.0012335700000000, -0.0011567200000000, -0.0008679600000000 ] - [ -0.0001533300000000, -0.0007696700000000, -0.0006604100000000 ] - [ -0.0002743500000000, 0.0013113500000000, -0.0006300900000000 ] - [ -0.0003246200000000, 0.0007407800000000, -0.0003968400000000 ] - [ 0.0060351100000000, 0.0051869900000000, -0.0189257500000000 ] - [ -0.0008493400000000, -0.0001756100000000, -0.0003361500000000 ] - [ -0.0010340000000000, 0.0018817500000000, -0.0003255800000000 ] - [ 0.0000610400000000, 0.0003768000000000, -0.0002232500000000 ] - [ -0.0022931900000000, 0.0036375900000000, -0.0100924900000000 ] - [ 0.0006068100000000, -0.0003428800000000, -0.0009607000000000 ] - [ -0.0124253100000000, 0.0021871400000000, -0.0023149300000000 ] - [ 0.0104134600000000, 0.0022671100000000, -0.0020712100000000 ] - [ -0.0009033000000000, 0.0266651300000000, 0.0055633400000000 ] - [ 0.0001821500000000, 0.0013250900000000, 0.0002729900000000 ] - [ 0.0128459200000000, 0.0022349200000000, -0.0007576200000000 ] - [ -0.0107234200000000, 0.0022456400000000, 0.0005977300000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011140100000000, -0.0065432500000000, -0.0020636200000000 ] - [ 0.0006066000000000, -0.0016627700000000, -0.0008304700000000 ] - [ 0.0001047100000000, 0.0036319600000000, -0.0000432900000000 ] - [ -0.0004604400000000, 0.0035636100000000, -0.0000476900000000 ] - [ -0.0057140600000000, 0.0066267300000000, -0.0032345600000000 ] - [ 0.0017595400000000, 0.0032885800000000, -0.0011099500000000 ] - [ 0.0046980400000000, -0.0012121800000000, -0.0024350500000000 ] - [ -0.0013533700000000, -0.0005013200000000, -0.0009109300000000 ] - [ 0.0002777000000000, -0.0078318700000000, -0.0010015400000000 ] - [ -0.0001096300000000, -0.0010417600000000, 0.0000759900000000 ] - [ -0.0221900800000000, -0.0517141300000000, 0.0325743100000000 ] - [ -0.0023656500000000, -0.0025349800000000, -0.0013649500000000 ] - [ 0.0040297500000000, -0.0235677000000000, 0.0007555000000000 ] - [ -0.0002898500000000, -0.0063596300000000, 0.0005649600000000 ] - [ 0.0188497400000000, -0.0594607200000000, 0.0195554500000000 ] - [ 0.0023435600000000, -0.0015467000000000, -0.0024050400000000 ] - [ 0.0014830100000000, 0.0024032100000000, -0.0033420900000000 ] - [ -0.0002067800000000, 0.0000030100000000, -0.0014636700000000 ] - [ -0.0036032300000000, -0.0007105000000000, 0.0018446500000000 ] - [ 0.0002342300000000, -0.0015304700000000, 0.0001737900000000 ] - [ 0.0065613900000000, 0.0064127800000000, 0.0057795700000000 ] - [ -0.0013885700000000, 0.0032141400000000, 0.0028949100000000 ] - [ -0.0019428500000000, -0.0012399600000000, 0.0024767900000000 ] - [ 0.0003320900000000, -0.0004973600000000, 0.0002231900000000 ] - [ 0.0006237900000000, 0.0100455400000000, 0.0097530400000000 ] - [ -0.0007349800000000, 0.0007069100000000, 0.0010525100000000 ] - [ -0.0000265300000000, 0.0030078500000000, -0.0013038700000000 ] - [ 0.0002194600000000, 0.0025534100000000, -0.0012425100000000 ] - [ -0.0014269000000000, 0.0044378200000000, -0.0020138500000000 ] - [ -0.0001409000000000, 0.0004953900000000, -0.0002792000000000 ] - [ 0.0001041600000000, 0.0115494000000000, 0.0006165600000000 ] - [ -0.0000388300000000, 0.0024938200000000, 0.0006304700000000 ] - [ -0.0003857200000000, -0.0010881000000000, -0.0003562900000000 ] - [ 0.0011449500000000, -0.0013722300000000, -0.0013151500000000 ] - [ -0.0001179700000000, -0.0271435700000000, 0.0045640600000000 ] - [ 0.0004780400000000, -0.0010800600000000, 0.0000443700000000 ] - [ -0.0014025500000000, -0.0020329800000000, 0.0023687100000000 ] - [ 0.0010847800000000, -0.0012368300000000, 0.0012845700000000 ] - [ 0.0001493400000000, -0.0040882900000000, -0.0007523800000000 ] - [ 0.0000082600000000, -0.0013088800000000, -0.0000040400000000 ] - [ 0.0001635000000000, -0.0038043600000000, -0.0000998300000000 ] - [ 0.0002967300000000, -0.0038772500000000, -0.0001794100000000 ] - [ -0.0039555100000000, 0.1896225200000000, -0.0767749500000000 ] - [ 0.0003675700000000, 0.0025448300000000, -0.0007451900000000 ] - [ -0.0005938800000000, 0.0021952600000000, 0.0008009200000000 ] - [ 0.0015590800000000, 0.0044237200000000, 0.0024169400000000 ] - [ 0.0011993500000000, 0.0008656000000000, 0.0017567800000000 ] - [ -0.0002358400000000, 0.0007334600000000, 0.0005060600000000 ] - [ 0.0007986800000000, -0.0007402900000000, -0.0000481800000000 ] - [ -0.0015763600000000, -0.0010899500000000, -0.0011841000000000 ] - [ 0.0005442600000000, -0.0045453900000000, 0.0002950700000000 ] - [ 0.0002754500000000, -0.0014168000000000, 0.0002497400000000 ] - [ 0.0068846500000000, -0.0015160500000000, -0.0155590600000000 ] - [ 0.0000813600000000, 0.0009305100000000, -0.0005640600000000 ] - [ -0.0003842000000000, 0.0031048600000000, 0.0008172700000000 ] - [ 0.0000835700000000, 0.0002777700000000, 0.0008040600000000 ] - [ -0.0010730800000000, -0.0022052100000000, 0.0014861800000000 ] - [ 0.0004231900000000, -0.0002470700000000, -0.0000788300000000 ] - [ -0.0019174900000000, 0.0011208700000000, -0.0058910800000000 ] - [ 0.0003999400000000, 0.0008473600000000, -0.0004500100000000 ] - [ -0.0000683600000000, 0.0036870000000000, 0.0010229500000000 ] - [ 0.0003779200000000, 0.0017689700000000, 0.0007736900000000 ] - [ 0.0017865800000000, -0.0020863800000000, 0.0019469000000000 ] - [ -0.0008859400000000, -0.0010688500000000, 0.0008378200000000 ] - [ -0.0013351900000000, 0.0006764200000000, 0.0000795500000000 ] - [ 0.0000522800000000, 0.0002831200000000, -0.0001331300000000 ] - [ -0.0003052800000000, -0.0016249200000000, 0.0005109100000000 ] - [ -0.0002554100000000, -0.0010535700000000, 0.0002761400000000 ] - [ -0.0065272400000000, -0.0046667800000000, 0.0194111000000000 ] - [ 0.0003113400000000, 0.0007055000000000, 0.0009664300000000 ] - [ 0.0004574200000000, -0.0015632900000000, 0.0002148200000000 ] - [ -0.0006433600000000, -0.0000615900000000, 0.0001029500000000 ] - [ 0.0021949200000000, -0.0037105600000000, 0.0102879300000000 ] - [ -0.0007313700000000, 0.0002590500000000, 0.0010880700000000 ] - [ 0.0125777900000000, -0.0016561500000000, 0.0015134200000000 ] - [ -0.0103677200000000, -0.0017544300000000, 0.0012786100000000 ] - [ 0.0010000800000000, -0.0267408100000000, -0.0062940800000000 ] - [ -0.0000850500000000, -0.0018216400000000, -0.0010704700000000 ] - [ -0.0122202600000000, -0.0019668900000000, 0.0006461300000000 ] - [ 0.0112456600000000, -0.0019565300000000, -0.0007313200000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0062250900000000, -0.0006989400000000, -0.0083585200000000 ] - [ 0.0054213000000000, 0.0002046200000000, -0.0027405700000000 ] - [ 0.0007116500000000, 0.0005419900000000, 0.0017888100000000 ] - [ -0.0009607600000000, 0.0003517800000000, 0.0018847100000000 ] - [ -0.0033494100000000, 0.0042190200000000, 0.0027294900000000 ] - [ 0.0014346900000000, 0.0013246300000000, 0.0004565400000000 ] - [ 0.0066056900000000, 0.0002415500000000, -0.0042652900000000 ] - [ -0.0022123500000000, 0.0025566600000000, -0.0028871900000000 ] - [ -0.0024229100000000, -0.0017770500000000, -0.0116228400000000 ] - [ 0.0006885200000000, -0.0001489000000000, -0.0009851300000000 ] - [ -0.0232520400000000, -0.0321908800000000, 0.0475948100000000 ] - [ -0.0005251100000000, -0.0006044700000000, 0.0006874700000000 ] - [ -0.0252842300000000, -0.0011877500000000, 0.0311137500000000 ] - [ -0.0021502600000000, -0.0007403300000000, 0.0049501700000000 ] - [ 0.0077471600000000, -0.0251700300000000, 0.0308203100000000 ] - [ 0.0011043000000000, -0.0002585300000000, 0.0010242000000000 ] - [ 0.0017212000000000, 0.0022416300000000, -0.0066193200000000 ] - [ 0.0002189400000000, -0.0003733000000000, -0.0024450600000000 ] - [ 0.0042183100000000, -0.0009263200000000, -0.0041176600000000 ] - [ -0.0019293400000000, -0.0024612900000000, -0.0026758300000000 ] - [ -0.0028233000000000, -0.0023575800000000, 0.0042342800000000 ] - [ 0.0012874900000000, -0.0001484900000000, 0.0011981800000000 ] - [ 0.0020519100000000, -0.0058277000000000, -0.0074878600000000 ] - [ -0.0000806200000000, -0.0003195100000000, -0.0013739800000000 ] - [ -0.0027635000000000, -0.0071224200000000, 0.0043909700000000 ] - [ 0.0002705200000000, 0.0001044900000000, 0.0015293600000000 ] - [ -0.0001102300000000, 0.0010995000000000, -0.0032142800000000 ] - [ 0.0005879500000000, 0.0008354400000000, -0.0029558000000000 ] - [ -0.0032206200000000, 0.0047325600000000, -0.0041642600000000 ] - [ 0.0000678700000000, 0.0000658700000000, -0.0007376200000000 ] - [ 0.0004934600000000, 0.0010163600000000, 0.0008732200000000 ] - [ 0.0000381700000000, 0.0004793400000000, 0.0010239300000000 ] - [ 0.0007537200000000, 0.0003985200000000, 0.0002081700000000 ] - [ -0.0006503100000000, 0.0009521200000000, 0.0004049700000000 ] - [ 0.0003071300000000, -0.0038018500000000, -0.0043778400000000 ] - [ -0.0000018700000000, -0.0000763700000000, -0.0005727100000000 ] - [ -0.0009689800000000, -0.0016302900000000, 0.0010326800000000 ] - [ 0.0009304400000000, -0.0002967700000000, 0.0007045900000000 ] - [ 0.0000222400000000, -0.0007551200000000, -0.0007581700000000 ] - [ -0.0001381400000000, -0.0004173600000000, -0.0001112800000000 ] - [ 0.0005446700000000, -0.0009722900000000, -0.0009326000000000 ] - [ -0.0001289600000000, -0.0009440900000000, -0.0009515000000000 ] - [ 0.0576602100000000, 0.0771142200000000, -0.1609506100000000 ] - [ -0.0000335200000000, 0.0005292200000000, -0.0011440600000000 ] - [ -0.0032961500000000, -0.0001987700000000, 0.0007059700000000 ] - [ 0.0114514200000000, -0.0001625700000000, 0.0107273000000000 ] - [ 0.0010485500000000, 0.0003277600000000, 0.0055374500000000 ] - [ -0.0006216900000000, 0.0002832600000000, 0.0014143200000000 ] - [ -0.0014911900000000, 0.0010362400000000, -0.0005549500000000 ] - [ 0.0008249300000000, 0.0012931000000000, -0.0004393500000000 ] - [ 0.0008291100000000, -0.0014474000000000, 0.0005623700000000 ] - [ -0.0001313600000000, -0.0004455800000000, 0.0004623200000000 ] - [ -0.0095954600000000, 0.0134352400000000, 0.0179707100000000 ] - [ 0.0009582200000000, 0.0008690600000000, -0.0004599400000000 ] - [ -0.0009271900000000, 0.0001171000000000, 0.0058158800000000 ] - [ 0.0002676100000000, -0.0001080200000000, 0.0039410300000000 ] - [ -0.0014741400000000, -0.0022155200000000, 0.0042575200000000 ] - [ 0.0000794800000000, -0.0001246000000000, 0.0005482000000000 ] - [ 0.0042907400000000, 0.0073353400000000, 0.0089613800000000 ] - [ -0.0012566800000000, 0.0009600700000000, 0.0004298700000000 ] - [ -0.0112640900000000, 0.0006719100000000, 0.0122135000000000 ] - [ 0.0013742700000000, 0.0000853600000000, 0.0005897900000000 ] - [ 0.0021153800000000, -0.0020822100000000, -0.0001414400000000 ] - [ -0.0010664900000000, -0.0007389200000000, -0.0002233800000000 ] - [ 0.0001601100000000, 0.0008787600000000, 0.0038277500000000 ] - [ -0.0004982600000000, 0.0001842600000000, 0.0007032300000000 ] - [ 0.0000867600000000, -0.0007265000000000, 0.0014673200000000 ] - [ -0.0004521800000000, -0.0004922600000000, 0.0007049400000000 ] - [ -0.0085211500000000, -0.0147786900000000, 0.0241052600000000 ] - [ 0.0003643400000000, -0.0002261000000000, 0.0000039100000000 ] - [ 0.0003289600000000, 0.0004183200000000, 0.0039014200000000 ] - [ -0.0002782300000000, 0.0003172400000000, 0.0008633300000000 ] - [ 0.0037827700000000, -0.0100021600000000, 0.0118688300000000 ] - [ -0.0009397200000000, -0.0004383300000000, 0.0004846800000000 ] - [ 0.0040024000000000, -0.0010253400000000, -0.0038341600000000 ] - [ -0.0040136900000000, -0.0015029800000000, -0.0036361700000000 ] - [ 0.0005049500000000, 0.0009021400000000, -0.0047861800000000 ] - [ -0.0004516300000000, -0.0005065800000000, -0.0010996900000000 ] - [ -0.0007250300000000, -0.0005318300000000, -0.0045370300000000 ] - [ -0.0011216700000000, 0.0008373300000000, -0.0045566000000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0065100600000000, 0.0003767900000000, 0.0083003700000000 ] - [ -0.0050483700000000, -0.0005140100000000, 0.0027157000000000 ] - [ -0.0010542400000000, -0.0008535600000000, -0.0018514000000000 ] - [ 0.0006221900000000, -0.0006637800000000, -0.0019396500000000 ] - [ 0.0034374300000000, -0.0042790700000000, -0.0019826200000000 ] - [ -0.0013280100000000, -0.0014053700000000, 0.0002602300000000 ] - [ -0.0067484300000000, -0.0003105700000000, 0.0049490500000000 ] - [ 0.0021166300000000, -0.0026428000000000, 0.0035654300000000 ] - [ 0.0023253000000000, 0.0018604300000000, 0.0123339200000000 ] - [ -0.0007896500000000, 0.0002192200000000, 0.0016660400000000 ] - [ 0.0224554700000000, 0.0295007400000000, -0.0458715500000000 ] - [ 0.0011746000000000, -0.0000984500000000, -0.0002783500000000 ] - [ 0.0261839900000000, 0.0020584900000000, -0.0327683800000000 ] - [ 0.0020285900000000, 0.0016619800000000, -0.0065458800000000 ] - [ -0.0082908400000000, 0.0251368200000000, -0.0324620500000000 ] - [ -0.0011860700000000, -0.0006729900000000, -0.0026119100000000 ] - [ -0.0016027600000000, -0.0031451500000000, 0.0050582000000000 ] - [ -0.0001163600000000, -0.0005546700000000, 0.0008970500000000 ] - [ -0.0048719600000000, 0.0016286800000000, 0.0044888000000000 ] - [ 0.0013063800000000, 0.0031827700000000, 0.0030453300000000 ] - [ 0.0034659900000000, 0.0030800400000000, -0.0037834500000000 ] - [ -0.0006604600000000, 0.0008639700000000, -0.0007807600000000 ] - [ -0.0017033300000000, 0.0060904800000000, 0.0074366100000000 ] - [ 0.0004173200000000, 0.0006313500000000, 0.0013465600000000 ] - [ 0.0024342300000000, 0.0074240200000000, -0.0044907700000000 ] - [ -0.0006095300000000, 0.0002087100000000, -0.0015810800000000 ] - [ 0.0002012300000000, -0.0001715100000000, 0.0016720400000000 ] - [ -0.0004803200000000, 0.0000949400000000, 0.0014057400000000 ] - [ 0.0026095500000000, -0.0054663000000000, 0.0045398700000000 ] - [ -0.0006994400000000, -0.0007735000000000, 0.0011101600000000 ] - [ -0.0004082800000000, -0.0009353800000000, -0.0001353400000000 ] - [ 0.0000699500000000, -0.0004065700000000, -0.0003173400000000 ] - [ -0.0008707500000000, -0.0003067200000000, -0.0000986700000000 ] - [ 0.0005253000000000, -0.0008567900000000, -0.0002985600000000 ] - [ 0.0001073300000000, 0.0046129200000000, 0.0046503800000000 ] - [ 0.0004142600000000, 0.0008509300000000, 0.0008885800000000 ] - [ 0.0014990900000000, 0.0021552600000000, -0.0004179100000000 ] - [ -0.0003872600000000, 0.0008355500000000, -0.0000882400000000 ] - [ -0.0001458700000000, 0.0002632800000000, 0.0011423100000000 ] - [ 0.0000168500000000, -0.0000773600000000, 0.0004846100000000 ] - [ -0.0001348900000000, 0.0001981600000000, 0.0012489700000000 ] - [ 0.0005493400000000, 0.0001688000000000, 0.0012663600000000 ] - [ -0.0562641200000000, -0.0761494400000000, 0.1600248400000000 ] - [ 0.0006101400000000, -0.0008383100000000, 0.0010252100000000 ] - [ 0.0027633400000000, -0.0003353500000000, -0.0000552800000000 ] - [ -0.0121444700000000, -0.0003731700000000, -0.0101970000000000 ] - [ -0.0014729000000000, 0.0004481200000000, -0.0052163400000000 ] - [ 0.0002098100000000, 0.0004872000000000, -0.0010945500000000 ] - [ 0.0013787300000000, -0.0005472400000000, 0.0009350900000000 ] - [ -0.0009486800000000, -0.0008026700000000, 0.0008193800000000 ] - [ -0.0002952400000000, 0.0008986000000000, 0.0000402800000000 ] - [ 0.0006689300000000, -0.0000923000000000, 0.0001606600000000 ] - [ 0.0098737900000000, -0.0135682600000000, -0.0180703400000000 ] - [ -0.0008399400000000, -0.0007852000000000, 0.0005952600000000 ] - [ 0.0005214700000000, -0.0008898600000000, -0.0054944300000000 ] - [ -0.0007010600000000, -0.0006631300000000, -0.0036164800000000 ] - [ 0.0013879600000000, 0.0027247900000000, -0.0050702100000000 ] - [ -0.0001838400000000, 0.0006163300000000, -0.0013431700000000 ] - [ -0.0040932600000000, -0.0067146300000000, -0.0084823500000000 ] - [ 0.0013707000000000, -0.0004565800000000, -0.0000738700000000 ] - [ 0.0112210900000000, -0.0011703400000000, -0.0116834400000000 ] - [ -0.0012421500000000, -0.0005832500000000, -0.0002374100000000 ] - [ -0.0019998300000000, 0.0019980400000000, 0.0002839500000000 ] - [ 0.0011971700000000, 0.0006485500000000, 0.0003628800000000 ] - [ -0.0002673900000000, -0.0013741500000000, -0.0046163900000000 ] - [ 0.0004001800000000, -0.0006747500000000, -0.0014976600000000 ] - [ -0.0006706700000000, 0.0004146100000000, -0.0015899500000000 ] - [ -0.0001237400000000, 0.0001808300000000, -0.0008280600000000 ] - [ 0.0081177700000000, 0.0155871800000000, -0.0238154500000000 ] - [ -0.0009089000000000, 0.0007654000000000, 0.0006421800000000 ] - [ -0.0008979600000000, -0.0001221500000000, -0.0040233700000000 ] - [ -0.0003045000000000, -0.0000090300000000, -0.0009862700000000 ] - [ -0.0038425900000000, 0.0097468200000000, -0.0115881300000000 ] - [ 0.0008125300000000, 0.0003446300000000, -0.0003745000000000 ] - [ -0.0039602400000000, 0.0015488300000000, 0.0029953700000000 ] - [ 0.0041548700000000, 0.0020209100000000, 0.0027933900000000 ] - [ -0.0003943300000000, -0.0014899100000000, 0.0039561700000000 ] - [ 0.0005509700000000, 0.0000079700000000, 0.0002976000000000 ] - [ 0.0012100700000000, 0.0007971800000000, 0.0044367100000000 ] - [ 0.0017720300000000, -0.0005660400000000, 0.0044172800000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0042173500000000, 0.0000399300000000, 0.0007647900000000 ] - [ -0.0030595900000000, 0.0001455400000000, -0.0001348400000000 ] - [ 0.0084173500000000, -0.0045443700000000, -0.0037587600000000 ] - [ -0.0040643900000000, 0.0005109800000000, 0.0009119900000000 ] - [ 0.0034254000000000, 0.0000771900000000, 0.0003544400000000 ] - [ -0.0025100000000000, -0.0004098500000000, 0.0005998400000000 ] - [ 0.0379955700000000, -0.0249817800000000, 0.0156726200000000 ] - [ -0.0085987300000000, -0.0002315500000000, 0.0029603700000000 ] - [ 0.0020426600000000, -0.0061474900000000, 0.0013881700000000 ] - [ -0.0033573400000000, 0.0050100700000000, -0.0031769600000000 ] - [ 0.0002263600000000, -0.0004381000000000, 0.0001047000000000 ] - [ -0.0001385500000000, -0.0003058500000000, 0.0010398400000000 ] - [ 0.0047349800000000, -0.0008729900000000, 0.0009499200000000 ] - [ -0.0028432000000000, 0.0009853000000000, -0.0008639900000000 ] - [ -0.0022170700000000, -0.0006730300000000, 0.0021588000000000 ] - [ -0.0013003500000000, 0.0033543800000000, -0.0037465100000000 ] - [ 0.0035382500000000, 0.0048723300000000, -0.0037468000000000 ] - [ -0.0033999000000000, -0.0054131200000000, 0.0022207300000000 ] - [ 0.0032892800000000, 0.0001759000000000, 0.0000938300000000 ] - [ -0.0034613700000000, 0.0007193300000000, -0.0000881900000000 ] - [ 0.0063199200000000, 0.0009861900000000, 0.0011370000000000 ] - [ -0.0033883300000000, 0.0003024400000000, 0.0001674700000000 ] - [ -0.0023350900000000, -0.0030269900000000, -0.0084500800000000 ] - [ -0.0039721900000000, 0.0041550100000000, 0.0070212400000000 ] - [ -0.0010024200000000, 0.0026415700000000, 0.0011141800000000 ] - [ -0.0012419800000000, -0.0008804900000000, -0.0008504900000000 ] - [ 0.0356794000000000, 0.0200015500000000, -0.0176709100000000 ] - [ -0.0086157000000000, 0.0001181100000000, -0.0034141100000000 ] - [ 0.0676297200000000, -0.0100555300000000, -0.0249401500000000 ] - [ -0.0113390100000000, -0.0010625300000000, -0.0039179300000000 ] - [ -0.0003457700000000, 0.0003110700000000, -0.0006547700000000 ] - [ -0.0014531100000000, -0.0027805200000000, 0.0025803800000000 ] - [ 0.0025583600000000, 0.0013900300000000, -0.0105749400000000 ] - [ 0.0019974600000000, 0.0000683400000000, 0.0021578900000000 ] - [ 0.0000826000000000, -0.0002428600000000, -0.0005435500000000 ] - [ 0.0007858900000000, 0.0007374800000000, 0.0000361600000000 ] - [ 0.0014937700000000, -0.0005453000000000, 0.0020871400000000 ] - [ -0.0008328200000000, 0.0018809600000000, -0.0014996100000000 ] - [ -0.0024607000000000, -0.0071886500000000, -0.0095571200000000 ] - [ 0.0027804200000000, 0.0004220300000000, 0.0011785800000000 ] - [ -0.0023861200000000, 0.0008127900000000, -0.0004570300000000 ] - [ 0.0018130500000000, -0.0004729800000000, 0.0000604500000000 ] - [ 0.0003866800000000, 0.0008687100000000, -0.0014926900000000 ] - [ 0.0008606600000000, -0.0006317800000000, 0.0000714300000000 ] - [ -0.0027157500000000, -0.0022115700000000, 0.0021050400000000 ] - [ 0.0023017000000000, 0.0008769800000000, -0.0012850100000000 ] - [ 0.0161789900000000, 0.0110994100000000, -0.0006930000000000 ] - [ 0.0167661400000000, -0.0116520500000000, 0.0012649900000000 ] - [ -0.0016355500000000, 0.0012873900000000, 0.0008386500000000 ] - [ 0.0016043700000000, -0.0002851600000000, -0.0003847300000000 ] - [ -0.0028659500000000, -0.0016936800000000, 0.0034209300000000 ] - [ 0.0030917100000000, -0.0000059600000000, -0.0004941700000000 ] - [ -0.0015664300000000, 0.0004874500000000, 0.0003306200000000 ] - [ 0.0015218200000000, -0.0000120600000000, 0.0001863800000000 ] - [ -0.0052094700000000, -0.0006820500000000, 0.0010039800000000 ] - [ 0.0041126500000000, -0.0005681100000000, 0.0001525600000000 ] - [ -0.1944732600000000, 0.0159607500000000, 0.0428357400000000 ] - [ 0.0057509000000000, 0.0001343300000000, -0.0007069100000000 ] - [ -0.0041348000000000, 0.0025292900000000, 0.0040961800000000 ] - [ 0.0027402300000000, -0.0002515400000000, -0.0007745400000000 ] - [ 0.0011043100000000, 0.0006421500000000, 0.0012947900000000 ] - [ -0.0009591000000000, -0.0017568800000000, -0.0011032900000000 ] - [ 0.0033252800000000, -0.0001576000000000, -0.0024560100000000 ] - [ 0.0081122700000000, -0.0022887200000000, 0.0161938300000000 ] - [ -0.0001634200000000, -0.0004595500000000, -0.0004246500000000 ] - [ -0.0001866200000000, -0.0001086600000000, -0.0001336500000000 ] - [ 0.0149089200000000, -0.0104608800000000, 0.0040078200000000 ] - [ 0.0151003100000000, 0.0124315000000000, -0.0040642800000000 ] - [ -0.0015829900000000, 0.0097377600000000, -0.0110240200000000 ] - [ 0.0033070400000000, -0.0007937700000000, 0.0013983500000000 ] - [ -0.0062312600000000, -0.0008363300000000, -0.0005037200000000 ] - [ 0.0047235000000000, 0.0002957300000000, 0.0004411200000000 ] - [ -0.0012315800000000, -0.0000475200000000, -0.0001818600000000 ] - [ 0.0011707200000000, 0.0000414800000000, -0.0000479500000000 ] - [ -0.0012900500000000, 0.0002925300000000, -0.0008086000000000 ] - [ 0.0012784600000000, 0.0002551100000000, -0.0002508400000000 ] - [ -0.0004256500000000, -0.0003280400000000, -0.0010512200000000 ] - [ 0.0020547300000000, -0.0002815400000000, -0.0001191100000000 ] - [ -0.0024333400000000, -0.0011293000000000, 0.0001531300000000 ] - [ 0.0019997500000000, 0.0002576200000000, -0.0005090600000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0038665400000000, -0.0003632800000000, -0.0008340700000000 ] - [ 0.0034007700000000, -0.0004526300000000, 0.0001128900000000 ] - [ -0.0087204800000000, 0.0042519900000000, 0.0037746300000000 ] - [ 0.0037253300000000, -0.0008343800000000, -0.0009599900000000 ] - [ -0.0033053000000000, -0.0001424700000000, 0.0003279800000000 ] - [ 0.0026177600000000, 0.0003359700000000, 0.0000957800000000 ] - [ -0.0381254900000000, 0.0240501400000000, -0.0143820000000000 ] - [ 0.0085176500000000, 0.0001600200000000, -0.0023043700000000 ] - [ -0.0022146300000000, 0.0062429600000000, -0.0007228800000000 ] - [ 0.0032651700000000, -0.0049190000000000, 0.0038420900000000 ] - [ 0.0003846200000000, -0.0002671000000000, 0.0002812000000000 ] - [ 0.0007807800000000, -0.0003998200000000, -0.0006590100000000 ] - [ -0.0048271400000000, 0.0017997700000000, -0.0024959800000000 ] - [ 0.0027434300000000, -0.0000527500000000, -0.0006959300000000 ] - [ 0.0020833100000000, -0.0002502400000000, -0.0037125500000000 ] - [ 0.0012131600000000, -0.0042869100000000, 0.0021962200000000 ] - [ -0.0035023200000000, -0.0058325100000000, 0.0022050200000000 ] - [ 0.0035168400000000, 0.0044719100000000, -0.0037627500000000 ] - [ -0.0038779900000000, 0.0005312000000000, 0.0003146400000000 ] - [ 0.0028269200000000, -0.0000138000000000, 0.0004545100000000 ] - [ -0.0056770600000000, -0.0002812900000000, -0.0007758600000000 ] - [ 0.0040240800000000, 0.0004025500000000, 0.0002203700000000 ] - [ 0.0026577300000000, 0.0033733200000000, 0.0084901500000000 ] - [ 0.0043230200000000, -0.0038366200000000, -0.0070188700000000 ] - [ 0.0006416000000000, -0.0023129100000000, -0.0011545500000000 ] - [ 0.0009157300000000, 0.0011931300000000, 0.0008088000000000 ] - [ -0.0356039600000000, -0.0183696800000000, 0.0155119700000000 ] - [ 0.0087361000000000, 0.0008092100000000, 0.0018823200000000 ] - [ -0.0728084300000000, 0.0101621100000000, 0.0281093300000000 ] - [ 0.0106999300000000, 0.0003493300000000, 0.0042592700000000 ] - [ 0.0004222600000000, -0.0002447500000000, 0.0013531400000000 ] - [ 0.0015730400000000, 0.0028539700000000, -0.0018885100000000 ] - [ -0.0026970100000000, -0.0012891700000000, 0.0106366300000000 ] - [ -0.0021168600000000, 0.0000208400000000, -0.0020509700000000 ] - [ 0.0003420900000000, 0.0010066400000000, 0.0008599600000000 ] - [ -0.0003760600000000, 0.0000327000000000, 0.0002797800000000 ] - [ -0.0009443900000000, 0.0010881600000000, -0.0014713300000000 ] - [ 0.0013574000000000, -0.0013445300000000, 0.0021292700000000 ] - [ 0.0024238200000000, 0.0066631300000000, 0.0099044200000000 ] - [ -0.0029085100000000, -0.0009150400000000, -0.0008043500000000 ] - [ 0.0027938300000000, -0.0015807900000000, 0.0007746000000000 ] - [ -0.0013948000000000, -0.0002949000000000, 0.0002564300000000 ] - [ 0.0002006100000000, -0.0011783600000000, 0.0013692400000000 ] - [ -0.0002869000000000, 0.0003191500000000, -0.0001919600000000 ] - [ 0.0021583100000000, 0.0016745700000000, -0.0014724200000000 ] - [ -0.0028336200000000, -0.0014201700000000, 0.0019362100000000 ] - [ -0.0168632800000000, -0.0105441800000000, 0.0010268900000000 ] - [ -0.0169437200000000, 0.0122339600000000, -0.0009339400000000 ] - [ 0.0014995700000000, -0.0007950200000000, -0.0004736900000000 ] - [ -0.0017153400000000, 0.0007811200000000, 0.0007620300000000 ] - [ 0.0034359200000000, 0.0011432900000000, -0.0027635400000000 ] - [ -0.0025545400000000, -0.0005305700000000, 0.0011158100000000 ] - [ 0.0016970200000000, -0.0003981100000000, -0.0002174100000000 ] - [ -0.0014015600000000, 0.0000986000000000, -0.0000574600000000 ] - [ 0.0047996900000000, -0.0000030500000000, -0.0006912600000000 ] - [ -0.0045304500000000, -0.0002193100000000, 0.0001701600000000 ] - [ 0.1987713900000000, -0.0160429700000000, -0.0466342200000000 ] - [ -0.0058613200000000, 0.0003580600000000, -0.0000867100000000 ] - [ 0.0043052400000000, -0.0020246500000000, -0.0037048500000000 ] - [ -0.0026188400000000, 0.0007471800000000, 0.0011330900000000 ] - [ -0.0009710400000000, -0.0011448600000000, -0.0009422500000000 ] - [ 0.0010685900000000, 0.0012582400000000, 0.0014700500000000 ] - [ -0.0032028900000000, 0.0000677300000000, 0.0026076200000000 ] - [ -0.0079745100000000, 0.0021900200000000, -0.0159364400000000 ] - [ 0.0000864600000000, -0.0000300100000000, -0.0003705400000000 ] - [ 0.0000630500000000, -0.0003823600000000, -0.0006582100000000 ] - [ -0.0156832400000000, 0.0103216000000000, -0.0041616400000000 ] - [ -0.0154961900000000, -0.0125732800000000, 0.0038991200000000 ] - [ 0.0011206500000000, -0.0092269100000000, 0.0116949800000000 ] - [ -0.0038536000000000, 0.0013307100000000, -0.0007517200000000 ] - [ 0.0056714400000000, 0.0010665400000000, 0.0003955300000000 ] - [ -0.0053056700000000, 0.0000286600000000, -0.0005616600000000 ] - [ 0.0011181000000000, -0.0000436100000000, 0.0003155700000000 ] - [ -0.0012985500000000, -0.0001302400000000, 0.0001668100000000 ] - [ 0.0013865300000000, 0.0001962700000000, 0.0000101800000000 ] - [ -0.0011749700000000, 0.0002338000000000, -0.0005476500000000 ] - [ 0.0005378200000000, -0.0001606800000000, 0.0002576300000000 ] - [ -0.0019576500000000, -0.0002074800000000, -0.0006757500000000 ] - [ 0.0030060200000000, 0.0014396900000000, -0.0002743300000000 ] - [ -0.0014179200000000, 0.0000521500000000, 0.0003892700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005940200000000, -0.0064646100000000, -0.0057780200000000 ] - [ -0.0001174900000000, -0.0013057700000000, -0.0007867100000000 ] - [ -0.0046157100000000, 0.0030592200000000, -0.0052928400000000 ] - [ 0.0004010000000000, 0.0010760000000000, -0.0002137900000000 ] - [ -0.0011132400000000, -0.0028088600000000, 0.0024000200000000 ] - [ 0.0003789700000000, -0.0006888100000000, 0.0009644900000000 ] - [ -0.0235952500000000, 0.0606714400000000, -0.0323838200000000 ] - [ -0.0022035100000000, 0.0013943600000000, 0.0016079500000000 ] - [ -0.0055885800000000, -0.0075005100000000, 0.0011302200000000 ] - [ 0.0017126100000000, -0.0033806400000000, 0.0014070400000000 ] - [ 0.0003739800000000, -0.0032086300000000, 0.0007333500000000 ] - [ 0.0003389600000000, -0.0025257600000000, 0.0004066100000000 ] - [ 0.0019802200000000, -0.0034942800000000, 0.0024684200000000 ] - [ -0.0003570400000000, -0.0003335500000000, 0.0000292900000000 ] - [ -0.0043608200000000, 0.0020393100000000, 0.0030540900000000 ] - [ 0.0010026200000000, 0.0001911000000000, 0.0005620600000000 ] - [ 0.0056275500000000, -0.0065954800000000, 0.0024501700000000 ] - [ -0.0015357200000000, -0.0039678700000000, 0.0004119400000000 ] - [ -0.0010955000000000, -0.0110103100000000, -0.0024083000000000 ] - [ -0.0000842600000000, -0.0024422000000000, -0.0004142500000000 ] - [ 0.0007137600000000, 0.0056029300000000, 0.0009377000000000 ] - [ 0.0004273900000000, 0.0016649000000000, 0.0004903700000000 ] - [ -0.0028621800000000, 0.0025301900000000, -0.0034291000000000 ] - [ 0.0016142100000000, 0.0024729600000000, -0.0043278600000000 ] - [ 0.0012896400000000, -0.0048657200000000, -0.0008909000000000 ] - [ -0.0010849900000000, -0.0006716500000000, -0.0003154100000000 ] - [ 0.0214121500000000, 0.0570022900000000, -0.0307043600000000 ] - [ 0.0026775300000000, 0.0024054100000000, 0.0007208500000000 ] - [ -0.0094206000000000, 0.0234787800000000, 0.0008529400000000 ] - [ -0.0002150200000000, 0.0058170600000000, -0.0014335600000000 ] - [ 0.0026958100000000, 0.0016058300000000, 0.0021263100000000 ] - [ -0.0007609000000000, 0.0008612600000000, 0.0014415400000000 ] - [ 0.0008783100000000, -0.0035739800000000, -0.0006273400000000 ] - [ -0.0002881800000000, -0.0017112100000000, -0.0003040800000000 ] - [ -0.0004806300000000, 0.0024307900000000, -0.0001518600000000 ] - [ 0.0006613900000000, 0.0007599500000000, -0.0001710300000000 ] - [ -0.0007686700000000, 0.0012487900000000, -0.0007810600000000 ] - [ 0.0015949500000000, 0.0015193800000000, -0.0015491500000000 ] - [ -0.0054141900000000, 0.0049058700000000, 0.0136878100000000 ] - [ 0.0001455000000000, -0.0009878200000000, 0.0005838300000000 ] - [ 0.0013843500000000, -0.0012643000000000, -0.0003657400000000 ] - [ 0.0001281400000000, -0.0008863600000000, -0.0001641500000000 ] - [ 0.0012579000000000, 0.0022909600000000, -0.0025284100000000 ] - [ -0.0000758400000000, 0.0003347500000000, -0.0004316500000000 ] - [ -0.0023290200000000, 0.0017780500000000, -0.0015276200000000 ] - [ 0.0015185300000000, 0.0011023600000000, -0.0001581900000000 ] - [ 0.0108200200000000, 0.0022053100000000, 0.0006753100000000 ] - [ -0.0109166500000000, 0.0025945500000000, 0.0004925300000000 ] - [ 0.0015511900000000, 0.0015347300000000, 0.0013925400000000 ] - [ -0.0010132300000000, 0.0012428600000000, 0.0002909900000000 ] - [ -0.0021361500000000, 0.0017678300000000, -0.0082114200000000 ] - [ 0.0007667200000000, -0.0007040300000000, -0.0005547000000000 ] - [ 0.0003930400000000, 0.0047723600000000, -0.0004502600000000 ] - [ 0.0001784800000000, 0.0011796100000000, 0.0000238300000000 ] - [ -0.0005151400000000, 0.0224620600000000, 0.0008326800000000 ] - [ -0.0000909500000000, 0.0010980800000000, 0.0003535100000000 ] - [ 0.0140679500000000, -0.1992570300000000, 0.0839223200000000 ] - [ -0.0001591100000000, -0.0022864500000000, 0.0002638600000000 ] - [ 0.0018675300000000, 0.0006069400000000, 0.0074224100000000 ] - [ -0.0003087300000000, -0.0003302000000000, 0.0008965200000000 ] - [ 0.0006579700000000, 0.0008562700000000, 0.0007580400000000 ] - [ -0.0008000300000000, 0.0009425400000000, 0.0016256000000000 ] - [ 0.0007786200000000, -0.0027765300000000, -0.0001355000000000 ] - [ -0.0015781800000000, -0.0052719300000000, -0.0018504200000000 ] - [ -0.0002016300000000, 0.0032566800000000, 0.0004685900000000 ] - [ 0.0001781300000000, 0.0032568700000000, 0.0005175900000000 ] - [ -0.0122356700000000, 0.0018345000000000, -0.0018190800000000 ] - [ 0.0099318000000000, 0.0017544000000000, -0.0013488600000000 ] - [ 0.0089056700000000, 0.0098370800000000, -0.0183397400000000 ] - [ -0.0010042700000000, 0.0000039200000000, -0.0005519300000000 ] - [ -0.0003519600000000, 0.0270580800000000, -0.0012846900000000 ] - [ -0.0005784600000000, 0.0017260700000000, 0.0001966500000000 ] - [ -0.0004720400000000, 0.0033642100000000, -0.0009468500000000 ] - [ 0.0000650600000000, 0.0009951300000000, -0.0000135400000000 ] - [ 0.0000028100000000, 0.0017088400000000, -0.0010168200000000 ] - [ 0.0000399500000000, 0.0012266600000000, -0.0007791300000000 ] - [ -0.0000338600000000, -0.0030594700000000, -0.0013885600000000 ] - [ 0.0000095800000000, -0.0010291900000000, -0.0010900900000000 ] - [ -0.0007151600000000, -0.0007565500000000, -0.0011880500000000 ] - [ 0.0004545500000000, -0.0003698600000000, -0.0004911400000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002477200000000, 0.0061254400000000, 0.0058204000000000 ] - [ 0.0004528600000000, 0.0009866700000000, 0.0007493700000000 ] - [ 0.0042976100000000, -0.0033243500000000, 0.0052709200000000 ] - [ -0.0007430900000000, -0.0013855500000000, 0.0001792000000000 ] - [ 0.0012185800000000, 0.0027469100000000, -0.0016937000000000 ] - [ -0.0002747900000000, 0.0006198900000000, -0.0002721100000000 ] - [ 0.0255274200000000, -0.0635037900000000, 0.0355158100000000 ] - [ 0.0020794200000000, -0.0014710400000000, -0.0009152500000000 ] - [ 0.0055447600000000, 0.0075488300000000, -0.0004711400000000 ] - [ -0.0018360000000000, 0.0034413900000000, -0.0007237000000000 ] - [ 0.0002673200000000, 0.0025007300000000, -0.0003480300000000 ] - [ 0.0002863400000000, 0.0018191700000000, -0.0000199900000000 ] - [ -0.0020800000000000, 0.0044110900000000, -0.0040297400000000 ] - [ 0.0002527700000000, 0.0012587000000000, -0.0015832300000000 ] - [ 0.0042632300000000, -0.0029795600000000, -0.0046004800000000 ] - [ -0.0010998500000000, -0.0011559800000000, -0.0021053000000000 ] - [ -0.0054600100000000, 0.0056858500000000, -0.0039900200000000 ] - [ 0.0016225700000000, 0.0030492400000000, -0.0019647100000000 ] - [ 0.0004201400000000, 0.0117261100000000, 0.0027191500000000 ] - [ -0.0005448100000000, 0.0031505300000000, 0.0007881800000000 ] - [ -0.0000914200000000, -0.0048950600000000, -0.0005633900000000 ] - [ 0.0002052400000000, -0.0009616400000000, -0.0001080400000000 ] - [ 0.0031824300000000, -0.0022464600000000, 0.0033599200000000 ] - [ -0.0012843100000000, -0.0021756800000000, 0.0043060300000000 ] - [ -0.0016307200000000, 0.0052086100000000, 0.0008505300000000 ] - [ 0.0007395600000000, 0.0009931900000000, 0.0002750600000000 ] - [ -0.0196936800000000, -0.0541055700000000, 0.0269250000000000 ] - [ -0.0025938300000000, -0.0014743800000000, -0.0022832500000000 ] - [ 0.0090549200000000, -0.0243888800000000, -0.0006132800000000 ] - [ -0.0004002200000000, -0.0065227200000000, 0.0017881600000000 ] - [ -0.0025823900000000, -0.0015303600000000, -0.0014347700000000 ] - [ 0.0008689300000000, -0.0007721300000000, -0.0007479600000000 ] - [ -0.0010234800000000, 0.0036555700000000, 0.0007691600000000 ] - [ 0.0001675600000000, 0.0017976500000000, 0.0004328900000000 ] - [ 0.0008938900000000, -0.0016679900000000, 0.0004584900000000 ] - [ -0.0002432400000000, 0.0000066900000000, 0.0004854300000000 ] - [ 0.0013050000000000, -0.0007189400000000, 0.0014150300000000 ] - [ -0.0010467000000000, -0.0009894500000000, 0.0021703300000000 ] - [ 0.0052676100000000, -0.0054734100000000, -0.0132698900000000 ] - [ -0.0002703800000000, 0.0004849500000000, -0.0002160700000000 ] - [ -0.0009676000000000, 0.0004856600000000, 0.0006765900000000 ] - [ 0.0002865200000000, 0.0001127400000000, 0.0004808100000000 ] - [ -0.0006817300000000, -0.0026024200000000, 0.0024114500000000 ] - [ 0.0006579900000000, -0.0006437800000000, 0.0003089100000000 ] - [ 0.0018027800000000, -0.0023089800000000, 0.0021832800000000 ] - [ -0.0020593600000000, -0.0016326300000000, 0.0007869400000000 ] - [ -0.0112669900000000, -0.0013910800000000, -0.0003666300000000 ] - [ 0.0105783800000000, -0.0018140300000000, -0.0001646300000000 ] - [ -0.0016704800000000, -0.0010538200000000, -0.0010124000000000 ] - [ 0.0008934100000000, -0.0007568300000000, 0.0000777100000000 ] - [ 0.0026541300000000, -0.0023134900000000, 0.0087901400000000 ] - [ -0.0002254600000000, 0.0001621800000000, 0.0011838100000000 ] - [ -0.0002803400000000, -0.0046877600000000, 0.0006021800000000 ] - [ -0.0000490800000000, -0.0010917200000000, 0.0001028500000000 ] - [ 0.0000928400000000, -0.0235850800000000, -0.0005002700000000 ] - [ -0.0003186200000000, -0.0018641800000000, -0.0000332200000000 ] - [ -0.0179281900000000, 0.2007934700000000, -0.0848299600000000 ] - [ 0.0000648100000000, 0.0027748900000000, -0.0010589000000000 ] - [ -0.0017699500000000, -0.0000785700000000, -0.0070927700000000 ] - [ 0.0004331900000000, 0.0008283900000000, -0.0005321900000000 ] - [ -0.0005370600000000, -0.0013461800000000, -0.0003876100000000 ] - [ 0.0009312000000000, -0.0014313900000000, -0.0012694300000000 ] - [ -0.0006444800000000, 0.0026912100000000, 0.0002490100000000 ] - [ 0.0016156000000000, 0.0052122200000000, 0.0018904200000000 ] - [ 0.0000725500000000, -0.0037485000000000, -0.0012587800000000 ] - [ -0.0002509500000000, -0.0037484200000000, -0.0013103400000000 ] - [ 0.0116071800000000, -0.0021861400000000, 0.0017048500000000 ] - [ -0.0104560100000000, -0.0020889600000000, 0.0012252300000000 ] - [ -0.0095319000000000, -0.0093087900000000, 0.0191547800000000 ] - [ 0.0004609600000000, 0.0005413700000000, 0.0011893700000000 ] - [ -0.0002368000000000, -0.0263468400000000, 0.0011074500000000 ] - [ 0.0000032600000000, -0.0014198200000000, -0.0003181700000000 ] - [ 0.0003332400000000, -0.0034536300000000, 0.0010403700000000 ] - [ -0.0001843400000000, -0.0010848200000000, 0.0001357300000000 ] - [ 0.0000992100000000, -0.0012202800000000, 0.0002178200000000 ] - [ 0.0000614200000000, -0.0007381400000000, -0.0000187200000000 ] - [ 0.0001333500000000, 0.0025698500000000, 0.0005887300000000 ] - [ 0.0000835400000000, 0.0005386500000000, 0.0002884300000000 ] - [ 0.0012984200000000, 0.0010775200000000, 0.0010645400000000 ] - [ 0.0001238500000000, 0.0006838200000000, 0.0003676400000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0013909400000000, -0.0048356900000000, 0.0016772700000000 ] - [ 0.0003279400000000, -0.0002428700000000, 0.0005688700000000 ] - [ -0.0053386500000000, -0.0071387300000000, -0.0100864200000000 ] - [ 0.0010080400000000, -0.0006169300000000, -0.0009620300000000 ] - [ 0.0012578200000000, 0.0028281700000000, -0.0039947400000000 ] - [ 0.0000805200000000, 0.0002172200000000, -0.0010609100000000 ] - [ 0.0157207000000000, -0.0349890400000000, 0.0453650000000000 ] - [ 0.0007613000000000, -0.0000118400000000, 0.0025575600000000 ] - [ 0.0027671000000000, 0.0048368600000000, 0.0066283700000000 ] - [ -0.0005008900000000, 0.0000355200000000, 0.0028417100000000 ] - [ 0.0001515300000000, 0.0000386500000000, -0.0021606000000000 ] - [ 0.0009106400000000, 0.0000409700000000, -0.0019113400000000 ] - [ -0.0032788000000000, 0.0041537200000000, -0.0061366900000000 ] - [ 0.0004006200000000, 0.0008188000000000, -0.0021519700000000 ] - [ 0.0050854000000000, -0.0016497000000000, -0.0071292200000000 ] - [ -0.0023687400000000, 0.0025508800000000, -0.0056910700000000 ] - [ -0.0027179400000000, 0.0031008400000000, 0.0011984500000000 ] - [ 0.0012321200000000, 0.0010643300000000, -0.0004375000000000 ] - [ -0.0002041400000000, 0.0015793500000000, 0.0044862000000000 ] - [ 0.0001289500000000, 0.0009508200000000, 0.0022108400000000 ] - [ -0.0003952800000000, -0.0007334500000000, -0.0101573100000000 ] - [ 0.0005548200000000, 0.0000440100000000, -0.0014644600000000 ] - [ -0.0067673300000000, -0.0024621700000000, 0.0005890000000000 ] - [ 0.0055114500000000, -0.0044075500000000, 0.0006624500000000 ] - [ 0.0028753800000000, -0.0043136400000000, -0.0018812700000000 ] - [ -0.0008437500000000, -0.0002022700000000, -0.0007587300000000 ] - [ -0.0172659500000000, -0.0275706600000000, 0.0372885000000000 ] - [ -0.0007861200000000, 0.0001734700000000, -0.0003134400000000 ] - [ -0.0299497600000000, 0.0016453200000000, 0.0376386500000000 ] - [ -0.0028248100000000, -0.0018466600000000, 0.0065694000000000 ] - [ -0.0034023700000000, -0.0001191900000000, -0.0039410900000000 ] - [ 0.0024777800000000, 0.0028869400000000, -0.0040645900000000 ] - [ -0.0094888000000000, -0.0009602800000000, 0.0120101400000000 ] - [ 0.0009798000000000, 0.0002440600000000, 0.0005564200000000 ] - [ 0.0005180900000000, 0.0000827800000000, 0.0048525500000000 ] - [ 0.0000275000000000, 0.0002243500000000, 0.0013428400000000 ] - [ 0.0013277100000000, -0.0004273600000000, 0.0010379200000000 ] - [ -0.0009108700000000, -0.0016240700000000, 0.0015135500000000 ] - [ -0.0091141500000000, 0.0158567200000000, 0.0155189700000000 ] - [ 0.0007498200000000, 0.0005628400000000, -0.0000270100000000 ] - [ 0.0004924000000000, -0.0004321000000000, 0.0051687400000000 ] - [ 0.0000444500000000, -0.0002989900000000, 0.0014379200000000 ] - [ -0.0006659700000000, -0.0020467700000000, 0.0046084400000000 ] - [ 0.0003301700000000, -0.0004763200000000, 0.0008843300000000 ] - [ 0.0017450800000000, -0.0024531000000000, -0.0003919500000000 ] - [ -0.0023382700000000, -0.0013482300000000, -0.0002871900000000 ] - [ -0.0002613100000000, 0.0011533200000000, -0.0052589000000000 ] - [ -0.0028026200000000, 0.0023333700000000, -0.0051299400000000 ] - [ 0.0013397200000000, 0.0016189300000000, -0.0002101400000000 ] - [ -0.0015216100000000, 0.0009523400000000, -0.0003872100000000 ] - [ 0.0043743700000000, -0.0075098400000000, 0.0113109900000000 ] - [ -0.0005473400000000, -0.0005165300000000, 0.0008313100000000 ] - [ 0.0003601000000000, -0.0014610800000000, -0.0007983600000000 ] - [ -0.0001640500000000, -0.0002189000000000, -0.0001369100000000 ] - [ 0.0006202100000000, -0.0011397000000000, -0.0052438000000000 ] - [ -0.0006034900000000, -0.0005084100000000, -0.0008874300000000 ] - [ 0.0443231100000000, 0.0844048200000000, -0.1682072100000000 ] - [ -0.0003589100000000, 0.0009056200000000, -0.0016134800000000 ] - [ 0.0036473600000000, 0.0083397900000000, 0.0096525100000000 ] - [ -0.0007299600000000, 0.0007552000000000, 0.0003233700000000 ] - [ 0.0009845100000000, 0.0001906900000000, 0.0002048100000000 ] - [ -0.0008008400000000, 0.0010347600000000, 0.0006578500000000 ] - [ -0.0028595600000000, 0.0003966400000000, -0.0000829600000000 ] - [ 0.0165101300000000, -0.0025288000000000, 0.0130133000000000 ] - [ 0.0002151800000000, -0.0011585500000000, -0.0018083500000000 ] - [ -0.0000806600000000, -0.0011080900000000, -0.0018072500000000 ] - [ 0.0038879600000000, -0.0018473400000000, -0.0032583800000000 ] - [ -0.0046381900000000, -0.0020843900000000, -0.0034561600000000 ] - [ -0.0114191800000000, -0.0186761100000000, 0.0190990500000000 ] - [ 0.0009470900000000, -0.0006015400000000, -0.0006659400000000 ] - [ -0.0006113100000000, -0.0057957600000000, -0.0044141800000000 ] - [ -0.0005194500000000, -0.0005186300000000, -0.0007589000000000 ] - [ 0.0004374500000000, -0.0006098900000000, 0.0006569500000000 ] - [ -0.0005154700000000, -0.0002551800000000, 0.0002621400000000 ] - [ 0.0004618200000000, -0.0003721200000000, 0.0012566400000000 ] - [ -0.0000993100000000, -0.0001353200000000, 0.0004598800000000 ] - [ 0.0007004600000000, 0.0007430200000000, 0.0039792500000000 ] - [ -0.0002190800000000, 0.0004441600000000, 0.0030133800000000 ] - [ 0.0004214000000000, 0.0006257000000000, 0.0041603500000000 ] - [ -0.0001740100000000, 0.0004187700000000, 0.0010391200000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0010569200000000, 0.0045386400000000, -0.0017737800000000 ] - [ 0.0000094700000000, -0.0000726300000000, -0.0006209800000000 ] - [ 0.0049654800000000, 0.0067736600000000, 0.0100213000000000 ] - [ -0.0013434400000000, 0.0003043800000000, 0.0009333000000000 ] - [ -0.0011641000000000, -0.0029231900000000, 0.0046823100000000 ] - [ 0.0000255800000000, -0.0002903700000000, 0.0017460300000000 ] - [ -0.0149673700000000, 0.0334065300000000, -0.0441574900000000 ] - [ -0.0008859800000000, -0.0000594100000000, -0.0018338200000000 ] - [ -0.0028762100000000, -0.0047705700000000, -0.0058734700000000 ] - [ 0.0004000600000000, 0.0000252300000000, -0.0021228500000000 ] - [ 0.0004900100000000, -0.0007443100000000, 0.0025299200000000 ] - [ -0.0002841200000000, -0.0007481400000000, 0.0022868400000000 ] - [ 0.0031613300000000, -0.0032067600000000, 0.0045827700000000 ] - [ -0.0005022800000000, 0.0001126800000000, 0.0006018600000000 ] - [ -0.0051619500000000, 0.0007156700000000, 0.0055727500000000 ] - [ 0.0022580000000000, -0.0034601800000000, 0.0041374200000000 ] - [ 0.0028245200000000, -0.0040339900000000, -0.0028013500000000 ] - [ -0.0011283500000000, -0.0019823100000000, -0.0011439000000000 ] - [ -0.0004101300000000, -0.0008768600000000, -0.0040570200000000 ] - [ -0.0007621000000000, -0.0002450700000000, -0.0018127600000000 ] - [ 0.0010345600000000, 0.0014514200000000, 0.0105656800000000 ] - [ 0.0000701100000000, 0.0006632400000000, 0.0018360400000000 ] - [ 0.0071299100000000, 0.0027863200000000, -0.0006797900000000 ] - [ -0.0052046800000000, 0.0047536800000000, -0.0007438600000000 ] - [ -0.0032082000000000, 0.0046193400000000, 0.0018606800000000 ] - [ 0.0005030600000000, 0.0005126100000000, 0.0007293500000000 ] - [ 0.0184440100000000, 0.0303017000000000, -0.0397771500000000 ] - [ 0.0008693600000000, 0.0007533300000000, -0.0012694100000000 ] - [ 0.0280886200000000, -0.0021669500000000, -0.0370091800000000 ] - [ 0.0022034500000000, 0.0011409200000000, -0.0061408500000000 ] - [ 0.0035407900000000, 0.0001927700000000, 0.0046289800000000 ] - [ -0.0023911500000000, -0.0028405000000000, 0.0047573100000000 ] - [ 0.0095088900000000, 0.0010599400000000, -0.0120442400000000 ] - [ -0.0011087900000000, -0.0001553600000000, -0.0004170600000000 ] - [ -0.0001138000000000, 0.0007030600000000, -0.0045337400000000 ] - [ 0.0003906600000000, 0.0005480200000000, -0.0010253800000000 ] - [ -0.0007953800000000, 0.0009629900000000, -0.0003908800000000 ] - [ 0.0014599200000000, 0.0021712700000000, -0.0008675900000000 ] - [ 0.0088373100000000, -0.0161211000000000, -0.0149650100000000 ] - [ -0.0008672800000000, -0.0010535000000000, 0.0003870300000000 ] - [ -0.0000732100000000, -0.0003299700000000, -0.0048544700000000 ] - [ 0.0003683800000000, -0.0004702400000000, -0.0011167100000000 ] - [ 0.0012371700000000, 0.0017237400000000, -0.0047190700000000 ] - [ 0.0002518900000000, 0.0001623200000000, -0.0010069200000000 ] - [ -0.0022788900000000, 0.0019084400000000, 0.0010035100000000 ] - [ 0.0017877400000000, 0.0008086800000000, 0.0009028500000000 ] - [ -0.0000641200000000, -0.0003357000000000, 0.0055661400000000 ] - [ 0.0023256900000000, -0.0015336800000000, 0.0054624800000000 ] - [ -0.0014582400000000, -0.0011161900000000, 0.0005659200000000 ] - [ 0.0013885800000000, -0.0004521800000000, 0.0007431200000000 ] - [ -0.0038896300000000, 0.0070806700000000, -0.0108040000000000 ] - [ 0.0010917700000000, -0.0000145300000000, -0.0001865100000000 ] - [ -0.0002292100000000, 0.0015458000000000, 0.0009008200000000 ] - [ 0.0002863800000000, 0.0003076900000000, 0.0002543600000000 ] - [ -0.0010379700000000, 0.0004581000000000, 0.0055523700000000 ] - [ 0.0001903100000000, -0.0002552600000000, 0.0012032100000000 ] - [ -0.0451079000000000, -0.0843081200000000, 0.1673471900000000 ] - [ 0.0002606100000000, -0.0004172500000000, 0.0008116200000000 ] - [ -0.0035821800000000, -0.0079810000000000, -0.0094092900000000 ] - [ 0.0008558500000000, -0.0002664600000000, 0.0000549800000000 ] - [ -0.0008691500000000, -0.0006847000000000, 0.0001753700000000 ] - [ 0.0009260600000000, -0.0015348200000000, -0.0002777400000000 ] - [ 0.0029762700000000, -0.0004863400000000, 0.0001889900000000 ] - [ -0.0161403800000000, 0.0024082500000000, -0.0127546200000000 ] - [ -0.0003092500000000, 0.0006691100000000, 0.0010069300000000 ] - [ -0.0000267500000000, 0.0006190300000000, 0.0010080100000000 ] - [ -0.0044086900000000, 0.0015019400000000, 0.0031713000000000 ] - [ 0.0040145600000000, 0.0017434100000000, 0.0033736100000000 ] - [ 0.0107109700000000, 0.0189091800000000, -0.0182278300000000 ] - [ -0.0014775300000000, 0.0011306000000000, 0.0012822400000000 ] - [ 0.0000375800000000, 0.0060601500000000, 0.0043286600000000 ] - [ -0.0000577000000000, 0.0008246000000000, 0.0006385400000000 ] - [ -0.0005586500000000, 0.0005234100000000, -0.0005106400000000 ] - [ 0.0003936700000000, 0.0001676700000000, -0.0001311800000000 ] - [ -0.0003570300000000, 0.0008623500000000, -0.0020527800000000 ] - [ 0.0001977100000000, 0.0006249400000000, -0.0012551500000000 ] - [ -0.0006082400000000, -0.0012345100000000, -0.0047770200000000 ] - [ 0.0003375400000000, -0.0009345600000000, -0.0038109400000000 ] - [ 0.0001621600000000, -0.0003220400000000, -0.0042836700000000 ] - [ 0.0007509300000000, -0.0001086900000000, -0.0011616700000000 ]