# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4edaefa6-6b27-41d3-a924-3425d734f177/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 Y3Si3O10F / P2_1/c (14) / materials id 14630](https://mdr.nims.go.jp/datasets/e8755860-eff1-48df-bb3c-692931914d96) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.315017120000000, 0.000000000000000, 0.000921510000000 ] # a - [ 0.000000000000000, 11.122266920000000, 0.000000000000000 ] # b - [ -6.004334190000000, 0.000000000000000, 10.279707770000000 ] # c points: - symbol: O # 1 coordinates: [ 0.346194280000000, 0.908772070000000, 0.871280740000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.653805720000000, 0.408772070000000, 0.628719260000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.653805720000000, 0.091227930000000, 0.128719260000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.346194280000000, 0.591227930000000, 0.371280740000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.897365940000000, 0.520740460000000, 0.862340130000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.102634060000000, 0.020740460000000, 0.637659870000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.102634060000000, 0.479259540000000, 0.137659870000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.897365940000000, 0.979259540000000, 0.362340130000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.503966890000000, 0.896023950000000, 0.192275260000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.496033110000000, 0.396023950000000, 0.307724740000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.496033110000000, 0.103976050000000, 0.807724740000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.503966890000000, 0.603976050000000, 0.692275260000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.802486330000000, 0.606861740000000, 0.621663950000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.197513670000000, 0.106861740000000, 0.878336050000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.197513670000000, 0.393138260000000, 0.378336050000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.802486330000000, 0.893138260000000, 0.121663950000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.484829950000000, 0.644311490000000, 0.196578280000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.105156210000000, 0.725866170000000, 0.619630120000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.894843790000000, 0.274133830000000, 0.380369880000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.105156210000000, 0.774133830000000, 0.119630120000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.713020250000000, 0.820176150000000, 0.482127380000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.286979750000000, 0.320176150000000, 0.017872620000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.286979750000000, 0.179823850000000, 0.517872620000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.713020250000000, 0.679823850000000, 0.982127380000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.887553080000000, 0.821359680000000, 0.732417710000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.112446920000000, 0.321359680000000, 0.767582290000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.112446920000000, 0.178640320000000, 0.267582290000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.887553080000000, 0.678640320000000, 0.232417710000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.350906760000000, 0.975289570000000, 0.363338420000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.649093240000000, 0.475289570000000, 0.136661580000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.649093240000000, 0.024710430000000, 0.636661580000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.350906760000000, 0.524710430000000, 0.863338420000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.850874670000000, 0.949455410000000, 0.893407270000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.149125330000000, 0.449455410000000, 0.606592730000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.149125330000000, 0.050544590000000, 0.106592730000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.850874670000000, 0.550544590000000, 0.393407270000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.484829950000000, 0.855688510000000, 0.696578280000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.515170050000000, 0.355688510000000, 0.803421720000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.515170050000000, 0.144311490000000, 0.303421720000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.894843790000000, 0.225866170000000, 0.880369880000000 ] mass: 15.999400 - symbol: F # 41 coordinates: [ 0.756570200000000, 0.285532860000000, 0.060427280000000 ] mass: 18.998403 - symbol: F # 42 coordinates: [ 0.243429800000000, 0.785532860000000, 0.439572720000000 ] mass: 18.998403 - symbol: F # 43 coordinates: [ 0.756570200000000, 0.214467140000000, 0.560427280000000 ] mass: 18.998403 - symbol: F # 44 coordinates: [ 0.243429800000000, 0.714467140000000, 0.939572720000000 ] mass: 18.998403 - symbol: Si # 45 coordinates: [ 0.713418370000000, 0.536032460000000, 0.708583010000000 ] mass: 28.085500 - symbol: Si # 46 coordinates: [ 0.122233730000000, 0.244241620000000, 0.889813710000000 ] mass: 28.085500 - symbol: Si # 47 coordinates: [ 0.122233730000000, 0.255758380000000, 0.389813710000000 ] mass: 28.085500 - symbol: Si # 48 coordinates: [ 0.877766270000000, 0.755758380000000, 0.110186290000000 ] mass: 28.085500 - symbol: Si # 49 coordinates: [ 0.715040770000000, 0.586689630000000, 0.241007370000000 ] mass: 28.085500 - symbol: Si # 50 coordinates: [ 0.284959230000000, 0.086689630000000, 0.258992630000000 ] mass: 28.085500 - symbol: Si # 51 coordinates: [ 0.284959230000000, 0.413310370000000, 0.758992630000000 ] mass: 28.085500 - symbol: Si # 52 coordinates: [ 0.715040770000000, 0.913310370000000, 0.741007370000000 ] mass: 28.085500 - symbol: Si # 53 coordinates: [ 0.713418370000000, 0.963967540000000, 0.208583010000000 ] mass: 28.085500 - symbol: Si # 54 coordinates: [ 0.286581630000000, 0.463967540000000, 0.291416990000000 ] mass: 28.085500 - symbol: Si # 55 coordinates: [ 0.877766270000000, 0.744241620000000, 0.610186290000000 ] mass: 28.085500 - symbol: Si # 56 coordinates: [ 0.286581630000000, 0.036032460000000, 0.791416990000000 ] mass: 28.085500 - symbol: Y # 57 coordinates: [ 0.255892700000000, 0.531463990000000, 0.018544610000000 ] mass: 88.905850 - symbol: Y # 58 coordinates: [ 0.744107300000000, 0.031463990000000, 0.481455390000000 ] mass: 88.905850 - symbol: Y # 59 coordinates: [ 0.744107300000000, 0.468536010000000, 0.981455390000000 ] mass: 88.905850 - symbol: Y # 60 coordinates: [ 0.255892700000000, 0.968536010000000, 0.518544610000000 ] mass: 88.905850 - symbol: Y # 61 coordinates: [ 0.404224560000000, 0.772272090000000, 0.311296100000000 ] mass: 88.905850 - symbol: Y # 62 coordinates: [ 0.595775440000000, 0.272272090000000, 0.188703900000000 ] mass: 88.905850 - symbol: Y # 63 coordinates: [ 0.595775440000000, 0.227727910000000, 0.688703900000000 ] mass: 88.905850 - symbol: Y # 64 coordinates: [ 0.404224560000000, 0.727727910000000, 0.811296100000000 ] mass: 88.905850 - symbol: Y # 65 coordinates: [ 0.194587080000000, 0.901919840000000, 0.995754720000000 ] mass: 88.905850 - symbol: Y # 66 coordinates: [ 0.805412920000000, 0.401919840000000, 0.504245280000000 ] mass: 88.905850 - symbol: Y # 67 coordinates: [ 0.805412920000000, 0.098080160000000, 0.004245280000000 ] mass: 88.905850 - symbol: Y # 68 coordinates: [ 0.194587080000000, 0.598080160000000, 0.495754720000000 ] mass: 88.905850 reciprocal_lattice: # without 2pi - [ 0.136695021690857, 0.000000000000000, 0.079842988799399 ] # a* - [ 0.000000000000000, 0.089909728582561, 0.000000000000000 ] # b* - [ -0.000012253833694, 0.000000000000000, 0.097271872533726 ] # c*unit_cell: lattice: - [ 7.315017120000000, 0.000000000000000, 0.000921510000000 ] # a - [ 0.000000000000000, 11.122266920000000, 0.000000000000000 ] # b - [ -6.004334190000000, 0.000000000000000, 10.279707770000000 ] # c points: - symbol: O # 1 coordinates: [ 0.346194280000000, 0.908772070000000, 0.871280740000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.653805720000000, 0.408772070000000, 0.628719260000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.653805720000000, 0.091227930000000, 0.128719260000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.346194280000000, 0.591227930000000, 0.371280740000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.897365940000000, 0.520740460000000, 0.862340130000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.102634060000000, 0.020740460000000, 0.637659870000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.102634060000000, 0.479259540000000, 0.137659870000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.897365940000000, 0.979259540000000, 0.362340130000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.503966890000000, 0.896023950000000, 0.192275260000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.496033110000000, 0.396023950000000, 0.307724740000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.496033110000000, 0.103976050000000, 0.807724740000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.503966890000000, 0.603976050000000, 0.692275260000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.802486330000000, 0.606861740000000, 0.621663950000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.197513670000000, 0.106861740000000, 0.878336050000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.197513670000000, 0.393138260000000, 0.378336050000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.802486330000000, 0.893138260000000, 0.121663950000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.484829950000000, 0.644311490000000, 0.196578280000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.105156210000000, 0.725866170000000, 0.619630120000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.894843790000000, 0.274133830000000, 0.380369880000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.105156210000000, 0.774133830000000, 0.119630120000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.713020250000000, 0.820176150000000, 0.482127380000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.286979750000000, 0.320176150000000, 0.017872620000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.286979750000000, 0.179823850000000, 0.517872620000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.713020250000000, 0.679823850000000, 0.982127380000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.887553080000000, 0.821359680000000, 0.732417710000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.112446920000000, 0.321359680000000, 0.767582290000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.112446920000000, 0.178640320000000, 0.267582290000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.887553080000000, 0.678640320000000, 0.232417710000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.350906760000000, 0.975289570000000, 0.363338420000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.649093240000000, 0.475289570000000, 0.136661580000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.649093240000000, 0.024710430000000, 0.636661580000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.350906760000000, 0.524710430000000, 0.863338420000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.850874670000000, 0.949455410000000, 0.893407270000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.149125330000000, 0.449455410000000, 0.606592730000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.149125330000000, 0.050544590000000, 0.106592730000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.850874670000000, 0.550544590000000, 0.393407270000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.484829950000000, 0.855688510000000, 0.696578280000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.515170050000000, 0.355688510000000, 0.803421720000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.515170050000000, 0.144311490000000, 0.303421720000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.894843790000000, 0.225866170000000, 0.880369880000000 ] mass: 15.999400 reduced_to: 40 - symbol: F # 41 coordinates: [ 0.756570200000000, 0.285532860000000, 0.060427280000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 42 coordinates: [ 0.243429800000000, 0.785532860000000, 0.439572720000000 ] mass: 18.998403 reduced_to: 42 - symbol: F # 43 coordinates: [ 0.756570200000000, 0.214467140000000, 0.560427280000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 44 coordinates: [ 0.243429800000000, 0.714467140000000, 0.939572720000000 ] mass: 18.998403 reduced_to: 44 - symbol: Si # 45 coordinates: [ 0.713418370000000, 0.536032460000000, 0.708583010000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 46 coordinates: [ 0.122233730000000, 0.244241620000000, 0.889813710000000 ] mass: 28.085500 reduced_to: 46 - symbol: Si # 47 coordinates: [ 0.122233730000000, 0.255758380000000, 0.389813710000000 ] mass: 28.085500 reduced_to: 47 - symbol: Si # 48 coordinates: [ 0.877766270000000, 0.755758380000000, 0.110186290000000 ] mass: 28.085500 reduced_to: 48 - symbol: Si # 49 coordinates: [ 0.715040770000000, 0.586689630000000, 0.241007370000000 ] mass: 28.085500 reduced_to: 49 - symbol: Si # 50 coordinates: [ 0.284959230000000, 0.086689630000000, 0.258992630000000 ] mass: 28.085500 reduced_to: 50 - symbol: Si # 51 coordinates: [ 0.284959230000000, 0.413310370000000, 0.758992630000000 ] mass: 28.085500 reduced_to: 51 - symbol: Si # 52 coordinates: [ 0.715040770000000, 0.913310370000000, 0.741007370000000 ] mass: 28.085500 reduced_to: 52 - symbol: Si # 53 coordinates: [ 0.713418370000000, 0.963967540000000, 0.208583010000000 ] mass: 28.085500 reduced_to: 53 - symbol: Si # 54 coordinates: [ 0.286581630000000, 0.463967540000000, 0.291416990000000 ] mass: 28.085500 reduced_to: 54 - symbol: Si # 55 coordinates: [ 0.877766270000000, 0.744241620000000, 0.610186290000000 ] mass: 28.085500 reduced_to: 55 - symbol: Si # 56 coordinates: [ 0.286581630000000, 0.036032460000000, 0.791416990000000 ] mass: 28.085500 reduced_to: 56 - symbol: Y # 57 coordinates: [ 0.255892700000000, 0.531463990000000, 0.018544610000000 ] mass: 88.905850 reduced_to: 57 - symbol: Y # 58 coordinates: [ 0.744107300000000, 0.031463990000000, 0.481455390000000 ] mass: 88.905850 reduced_to: 58 - symbol: Y # 59 coordinates: [ 0.744107300000000, 0.468536010000000, 0.981455390000000 ] mass: 88.905850 reduced_to: 59 - symbol: Y # 60 coordinates: [ 0.255892700000000, 0.968536010000000, 0.518544610000000 ] mass: 88.905850 reduced_to: 60 - symbol: Y # 61 coordinates: [ 0.404224560000000, 0.772272090000000, 0.311296100000000 ] mass: 88.905850 reduced_to: 61 - symbol: Y # 62 coordinates: [ 0.595775440000000, 0.272272090000000, 0.188703900000000 ] mass: 88.905850 reduced_to: 62 - symbol: Y # 63 coordinates: [ 0.595775440000000, 0.227727910000000, 0.688703900000000 ] mass: 88.905850 reduced_to: 63 - symbol: Y # 64 coordinates: [ 0.404224560000000, 0.727727910000000, 0.811296100000000 ] mass: 88.905850 reduced_to: 64 - symbol: Y # 65 coordinates: [ 0.194587080000000, 0.901919840000000, 0.995754720000000 ] mass: 88.905850 reduced_to: 65 - symbol: Y # 66 coordinates: [ 0.805412920000000, 0.401919840000000, 0.504245280000000 ] mass: 88.905850 reduced_to: 66 - symbol: Y # 67 coordinates: [ 0.805412920000000, 0.098080160000000, 0.004245280000000 ] mass: 88.905850 reduced_to: 67 - symbol: Y # 68 coordinates: [ 0.194587080000000, 0.598080160000000, 0.495754720000000 ] mass: 88.905850 reduced_to: 68supercell: lattice: - [ 14.630034240000001, 0.000000000000000, 0.001843020000000 ] # a - [ 0.000000000000000, 11.122266920000000, 0.000000000000000 ] # b - [ -6.004334190000000, 0.000000000000000, 10.279707770000000 ] # c points: - symbol: O # 1 coordinates: [ 0.173097140000000, 0.908772070000000, 0.871280740000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.673097140000000, 0.908772070000000, 0.871280740000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.326902860000000, 0.408772070000000, 0.628719260000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.826902860000000, 0.408772070000000, 0.628719260000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.326902860000000, 0.091227930000000, 0.128719260000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.826902860000000, 0.091227930000000, 0.128719260000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.173097140000000, 0.591227930000000, 0.371280740000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.673097140000000, 0.591227930000000, 0.371280740000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.448682970000000, 0.520740460000000, 0.862340130000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.948682970000000, 0.520740460000000, 0.862340130000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.051317030000000, 0.020740460000000, 0.637659870000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.551317030000000, 0.020740460000000, 0.637659870000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.051317030000000, 0.479259540000000, 0.137659870000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.551317030000000, 0.479259540000000, 0.137659870000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.448682970000000, 0.979259540000000, 0.362340130000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.948682970000000, 0.979259540000000, 0.362340130000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.251983445000000, 0.896023950000000, 0.192275260000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.751983445000000, 0.896023950000000, 0.192275260000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.248016555000000, 0.396023950000000, 0.307724740000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.748016555000000, 0.396023950000000, 0.307724740000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.248016555000000, 0.103976050000000, 0.807724740000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.748016555000000, 0.103976050000000, 0.807724740000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.251983445000000, 0.603976050000000, 0.692275260000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.751983445000000, 0.603976050000000, 0.692275260000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.401243165000000, 0.606861740000000, 0.621663950000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.901243165000000, 0.606861740000000, 0.621663950000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.098756835000000, 0.106861740000000, 0.878336050000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.598756835000000, 0.106861740000000, 0.878336050000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.098756835000000, 0.393138260000000, 0.378336050000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.598756835000000, 0.393138260000000, 0.378336050000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.401243165000000, 0.893138260000000, 0.121663950000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.901243165000000, 0.893138260000000, 0.121663950000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.242414975000000, 0.644311490000000, 0.196578280000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.742414975000000, 0.644311490000000, 0.196578280000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.052578105000000, 0.725866170000000, 0.619630120000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.552578105000000, 0.725866170000000, 0.619630120000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.447421895000000, 0.274133830000000, 0.380369880000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.947421895000000, 0.274133830000000, 0.380369880000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.052578105000000, 0.774133830000000, 0.119630120000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.552578105000000, 0.774133830000000, 0.119630120000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.356510125000000, 0.820176150000000, 0.482127380000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.856510125000000, 0.820176150000000, 0.482127380000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.143489875000000, 0.320176150000000, 0.017872620000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.643489875000000, 0.320176150000000, 0.017872620000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.143489875000000, 0.179823850000000, 0.517872620000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.643489875000000, 0.179823850000000, 0.517872620000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.356510125000000, 0.679823850000000, 0.982127380000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.856510125000000, 0.679823850000000, 0.982127380000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.443776540000000, 0.821359680000000, 0.732417710000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.943776540000000, 0.821359680000000, 0.732417710000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.056223460000000, 0.321359680000000, 0.767582290000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.556223460000000, 0.321359680000000, 0.767582290000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.056223460000000, 0.178640320000000, 0.267582290000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.556223460000000, 0.178640320000000, 0.267582290000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.443776540000000, 0.678640320000000, 0.232417710000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.943776540000000, 0.678640320000000, 0.232417710000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.175453380000000, 0.975289570000000, 0.363338420000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.675453380000000, 0.975289570000000, 0.363338420000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.324546620000000, 0.475289570000000, 0.136661580000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.824546620000000, 0.475289570000000, 0.136661580000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.324546620000000, 0.024710430000000, 0.636661580000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.824546620000000, 0.024710430000000, 0.636661580000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.175453380000000, 0.524710430000000, 0.863338420000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.675453380000000, 0.524710430000000, 0.863338420000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.425437335000000, 0.949455410000000, 0.893407270000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.925437335000000, 0.949455410000000, 0.893407270000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.074562665000000, 0.449455410000000, 0.606592730000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.574562665000000, 0.449455410000000, 0.606592730000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.074562665000000, 0.050544590000000, 0.106592730000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.574562665000000, 0.050544590000000, 0.106592730000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.425437335000000, 0.550544590000000, 0.393407270000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.925437335000000, 0.550544590000000, 0.393407270000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.242414975000000, 0.855688510000000, 0.696578280000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.742414975000000, 0.855688510000000, 0.696578280000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.257585025000000, 0.355688510000000, 0.803421720000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.757585025000000, 0.355688510000000, 0.803421720000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.257585025000000, 0.144311490000000, 0.303421720000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.757585025000000, 0.144311490000000, 0.303421720000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.447421895000000, 0.225866170000000, 0.880369880000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.947421895000000, 0.225866170000000, 0.880369880000000 ] mass: 15.999400 reduced_to: 79 - symbol: F # 81 coordinates: [ 0.378285100000000, 0.285532860000000, 0.060427280000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 82 coordinates: [ 0.878285100000000, 0.285532860000000, 0.060427280000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 83 coordinates: [ 0.121714900000000, 0.785532860000000, 0.439572720000000 ] mass: 18.998403 reduced_to: 83 - symbol: F # 84 coordinates: [ 0.621714900000000, 0.785532860000000, 0.439572720000000 ] mass: 18.998403 reduced_to: 83 - symbol: F # 85 coordinates: [ 0.378285100000000, 0.214467140000000, 0.560427280000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 86 coordinates: [ 0.878285100000000, 0.214467140000000, 0.560427280000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 87 coordinates: [ 0.121714900000000, 0.714467140000000, 0.939572720000000 ] mass: 18.998403 reduced_to: 87 - symbol: F # 88 coordinates: [ 0.621714900000000, 0.714467140000000, 0.939572720000000 ] mass: 18.998403 reduced_to: 87 - symbol: Si # 89 coordinates: [ 0.356709185000000, 0.536032460000000, 0.708583010000000 ] mass: 28.085500 reduced_to: 89 - symbol: Si # 90 coordinates: [ 0.856709185000000, 0.536032460000000, 0.708583010000000 ] mass: 28.085500 reduced_to: 89 - symbol: Si # 91 coordinates: [ 0.061116865000000, 0.244241620000000, 0.889813710000000 ] mass: 28.085500 reduced_to: 91 - symbol: Si # 92 coordinates: [ 0.561116865000000, 0.244241620000000, 0.889813710000000 ] mass: 28.085500 reduced_to: 91 - symbol: Si # 93 coordinates: [ 0.061116865000000, 0.255758380000000, 0.389813710000000 ] mass: 28.085500 reduced_to: 93 - symbol: Si # 94 coordinates: [ 0.561116865000000, 0.255758380000000, 0.389813710000000 ] mass: 28.085500 reduced_to: 93 - symbol: Si # 95 coordinates: [ 0.438883135000000, 0.755758380000000, 0.110186290000000 ] mass: 28.085500 reduced_to: 95 - symbol: Si # 96 coordinates: [ 0.938883135000000, 0.755758380000000, 0.110186290000000 ] mass: 28.085500 reduced_to: 95 - symbol: Si # 97 coordinates: [ 0.357520385000000, 0.586689630000000, 0.241007370000000 ] mass: 28.085500 reduced_to: 97 - symbol: Si # 98 coordinates: [ 0.857520385000000, 0.586689630000000, 0.241007370000000 ] mass: 28.085500 reduced_to: 97 - symbol: Si # 99 coordinates: [ 0.142479615000000, 0.086689630000000, 0.258992630000000 ] mass: 28.085500 reduced_to: 99 - symbol: Si # 100 coordinates: [ 0.642479615000000, 0.086689630000000, 0.258992630000000 ] mass: 28.085500 reduced_to: 99 - symbol: Si # 101 coordinates: [ 0.142479615000000, 0.413310370000000, 0.758992630000000 ] mass: 28.085500 reduced_to: 101 - symbol: Si # 102 coordinates: [ 0.642479615000000, 0.413310370000000, 0.758992630000000 ] mass: 28.085500 reduced_to: 101 - symbol: Si # 103 coordinates: [ 0.357520385000000, 0.913310370000000, 0.741007370000000 ] mass: 28.085500 reduced_to: 103 - symbol: Si # 104 coordinates: [ 0.857520385000000, 0.913310370000000, 0.741007370000000 ] mass: 28.085500 reduced_to: 103 - symbol: Si # 105 coordinates: [ 0.356709185000000, 0.963967540000000, 0.208583010000000 ] mass: 28.085500 reduced_to: 105 - symbol: Si # 106 coordinates: [ 0.856709185000000, 0.963967540000000, 0.208583010000000 ] mass: 28.085500 reduced_to: 105 - symbol: Si # 107 coordinates: [ 0.143290815000000, 0.463967540000000, 0.291416990000000 ] mass: 28.085500 reduced_to: 107 - symbol: Si # 108 coordinates: [ 0.643290815000000, 0.463967540000000, 0.291416990000000 ] mass: 28.085500 reduced_to: 107 - symbol: Si # 109 coordinates: [ 0.438883135000000, 0.744241620000000, 0.610186290000000 ] mass: 28.085500 reduced_to: 109 - symbol: Si # 110 coordinates: [ 0.938883135000000, 0.744241620000000, 0.610186290000000 ] mass: 28.085500 reduced_to: 109 - symbol: Si # 111 coordinates: [ 0.143290815000000, 0.036032460000000, 0.791416990000000 ] mass: 28.085500 reduced_to: 111 - symbol: Si # 112 coordinates: [ 0.643290815000000, 0.036032460000000, 0.791416990000000 ] mass: 28.085500 reduced_to: 111 - symbol: Y # 113 coordinates: [ 0.127946350000000, 0.531463990000000, 0.018544610000000 ] mass: 88.905850 reduced_to: 113 - symbol: Y # 114 coordinates: [ 0.627946350000000, 0.531463990000000, 0.018544610000000 ] mass: 88.905850 reduced_to: 113 - symbol: Y # 115 coordinates: [ 0.372053650000000, 0.031463990000000, 0.481455390000000 ] mass: 88.905850 reduced_to: 115 - symbol: Y # 116 coordinates: [ 0.872053650000000, 0.031463990000000, 0.481455390000000 ] mass: 88.905850 reduced_to: 115 - symbol: Y # 117 coordinates: [ 0.372053650000000, 0.468536010000000, 0.981455390000000 ] mass: 88.905850 reduced_to: 117 - symbol: Y # 118 coordinates: [ 0.872053650000000, 0.468536010000000, 0.981455390000000 ] mass: 88.905850 reduced_to: 117 - symbol: Y # 119 coordinates: [ 0.127946350000000, 0.968536010000000, 0.518544610000000 ] mass: 88.905850 reduced_to: 119 - symbol: Y # 120 coordinates: [ 0.627946350000000, 0.968536010000000, 0.518544610000000 ] mass: 88.905850 reduced_to: 119 - symbol: Y # 121 coordinates: [ 0.202112280000000, 0.772272090000000, 0.311296100000000 ] mass: 88.905850 reduced_to: 121 - symbol: Y # 122 coordinates: [ 0.702112280000000, 0.772272090000000, 0.311296100000000 ] mass: 88.905850 reduced_to: 121 - symbol: Y # 123 coordinates: [ 0.297887720000000, 0.272272090000000, 0.188703900000000 ] mass: 88.905850 reduced_to: 123 - symbol: Y # 124 coordinates: [ 0.797887720000000, 0.272272090000000, 0.188703900000000 ] mass: 88.905850 reduced_to: 123 - symbol: Y # 125 coordinates: [ 0.297887720000000, 0.227727910000000, 0.688703900000000 ] mass: 88.905850 reduced_to: 125 - symbol: Y # 126 coordinates: [ 0.797887720000000, 0.227727910000000, 0.688703900000000 ] mass: 88.905850 reduced_to: 125 - symbol: Y # 127 coordinates: [ 0.202112280000000, 0.727727910000000, 0.811296100000000 ] mass: 88.905850 reduced_to: 127 - symbol: Y # 128 coordinates: [ 0.702112280000000, 0.727727910000000, 0.811296100000000 ] mass: 88.905850 reduced_to: 127 - symbol: Y # 129 coordinates: [ 0.097293540000000, 0.901919840000000, 0.995754720000000 ] mass: 88.905850 reduced_to: 129 - symbol: Y # 130 coordinates: [ 0.597293540000000, 0.901919840000000, 0.995754720000000 ] mass: 88.905850 reduced_to: 129 - symbol: Y # 131 coordinates: [ 0.402706460000000, 0.401919840000000, 0.504245280000000 ] mass: 88.905850 reduced_to: 131 - symbol: Y # 132 coordinates: [ 0.902706460000000, 0.401919840000000, 0.504245280000000 ] mass: 88.905850 reduced_to: 131 - symbol: Y # 133 coordinates: [ 0.402706460000000, 0.098080160000000, 0.004245280000000 ] mass: 88.905850 reduced_to: 133 - symbol: Y # 134 coordinates: [ 0.902706460000000, 0.098080160000000, 0.004245280000000 ] mass: 88.905850 reduced_to: 133 - symbol: Y # 135 coordinates: [ 0.097293540000000, 0.598080160000000, 0.495754720000000 ] mass: 88.905850 reduced_to: 135 - symbol: Y # 136 coordinates: [ 0.597293540000000, 0.598080160000000, 0.495754720000000 ] mass: 88.905850 reduced_to: 135displacements:- atom: 1 displacement: [ 0.0099999999206514, 0.0000000000000000, 0.0000012597509720 ] forces: - [ -0.0976105100000000, 0.0140853000000000, 0.0374308500000000 ] - [ 0.0011998700000000, 0.0000091800000000, -0.0002247800000000 ] - [ 0.0008669500000000, 0.0004372000000000, -0.0006550600000000 ] - [ 0.0001659900000000, 0.0000196200000000, 0.0003450600000000 ] - [ -0.0022666200000000, 0.0005998300000000, 0.0017173600000000 ] - [ 0.0011892900000000, -0.0002019300000000, -0.0006235200000000 ] - [ 0.0000296400000000, 0.0001963900000000, -0.0008354400000000 ] - [ 0.0000136200000000, 0.0000138600000000, 0.0004279600000000 ] - [ 0.0013726500000000, -0.0008839500000000, 0.0000783200000000 ] - [ 0.0008183500000000, -0.0003589600000000, -0.0000785600000000 ] - [ -0.0080778800000000, -0.0019234700000000, 0.0040643200000000 ] - [ 0.0003471800000000, -0.0006381200000000, 0.0004351200000000 ] - [ -0.0006331600000000, 0.0008552900000000, -0.0003696900000000 ] - [ -0.0000885000000000, 0.0005337600000000, 0.0009883100000000 ] - [ -0.0000230700000000, 0.0004850200000000, 0.0000137000000000 ] - [ 0.0001328700000000, 0.0006915700000000, -0.0009193200000000 ] - [ -0.0039678900000000, -0.0004787300000000, -0.0045402100000000 ] - [ 0.0016379000000000, 0.0002708100000000, 0.0002773500000000 ] - [ -0.0009451300000000, 0.0001701100000000, -0.0002877500000000 ] - [ -0.0002726200000000, 0.0000445800000000, 0.0004600300000000 ] - [ 0.0058823600000000, 0.0197613600000000, -0.0068748700000000 ] - [ 0.0010182500000000, -0.0002303500000000, 0.0008306400000000 ] - [ 0.0021457700000000, -0.0019609900000000, -0.0018882400000000 ] - [ 0.0011668000000000, 0.0000461400000000, 0.0001757000000000 ] - [ 0.0008553800000000, -0.0000803700000000, -0.0009996700000000 ] - [ -0.0006643800000000, 0.0009367000000000, 0.0002178900000000 ] - [ 0.0034901200000000, -0.0264651100000000, -0.0000671100000000 ] - [ 0.0012072800000000, -0.0001692600000000, 0.0002757300000000 ] - [ 0.0000644300000000, 0.0000580200000000, -0.0001065100000000 ] - [ 0.0000318100000000, 0.0000055600000000, 0.0007842300000000 ] - [ -0.0001399900000000, -0.0001607100000000, 0.0044174300000000 ] - [ 0.0015385100000000, -0.0003251400000000, -0.0011747700000000 ] - [ -0.0016398500000000, 0.0006840400000000, -0.0004885100000000 ] - [ 0.0000512800000000, 0.0001066100000000, 0.0003937400000000 ] - [ -0.0042189000000000, 0.0003426300000000, -0.0019459500000000 ] - [ 0.0008418500000000, -0.0005068300000000, -0.0002365400000000 ] - [ 0.0002949800000000, 0.0003352600000000, 0.0002521900000000 ] - [ 0.0001292300000000, 0.0004250500000000, 0.0000446600000000 ] - [ 0.0041431600000000, 0.0049613700000000, -0.0045293400000000 ] - [ 0.0010474700000000, 0.0002559300000000, 0.0008047700000000 ] - [ -0.0000904600000000, 0.0004094200000000, -0.0021059400000000 ] - [ -0.0005872100000000, 0.0007291200000000, 0.0013503600000000 ] - [ -0.0006116300000000, -0.0015460500000000, -0.0008271900000000 ] - [ 0.0008489600000000, 0.0006713500000000, 0.0009689200000000 ] - [ -0.0006183800000000, -0.0001146000000000, -0.0014213000000000 ] - [ 0.0005610200000000, -0.0006817800000000, 0.0012756400000000 ] - [ 0.0010811500000000, -0.0030381700000000, 0.0021670900000000 ] - [ 0.0010510400000000, 0.0001877600000000, 0.0000323600000000 ] - [ 0.0026878400000000, -0.0013646500000000, -0.0006925400000000 ] - [ 0.0042764100000000, 0.0031054200000000, 0.0064136900000000 ] - [ -0.0017500300000000, -0.0034254100000000, 0.0013532700000000 ] - [ 0.0009670000000000, -0.0000204800000000, -0.0001886400000000 ] - [ 0.0009823800000000, -0.0006412000000000, -0.0019131900000000 ] - [ 0.0000940000000000, 0.0005524200000000, 0.0006560700000000 ] - [ -0.0008967400000000, -0.0005147200000000, 0.0013142500000000 ] - [ 0.0011869200000000, 0.0011772600000000, -0.0007567700000000 ] - [ 0.0005295600000000, 0.0004002200000000, -0.0019214000000000 ] - [ 0.0003545500000000, 0.0002716200000000, 0.0011535300000000 ] - [ -0.0012324200000000, 0.0002154500000000, 0.0000863500000000 ] - [ 0.0003634900000000, 0.0004108500000000, -0.0003974000000000 ] - [ 0.0019022000000000, 0.0011557800000000, -0.0023905100000000 ] - [ 0.0004634800000000, -0.0013005300000000, 0.0015784200000000 ] - [ -0.0025100700000000, -0.0027874100000000, 0.0015066200000000 ] - [ 0.0008982300000000, -0.0002209000000000, 0.0003160900000000 ] - [ 0.0040299100000000, 0.0002358700000000, 0.0012548200000000 ] - [ 0.0051549500000000, -0.0018214400000000, 0.0029485100000000 ] - [ -0.0010475700000000, -0.0006214200000000, -0.0005919000000000 ] - [ 0.0005091200000000, -0.0001964200000000, -0.0000723800000000 ] - [ 0.0025005600000000, -0.0049811400000000, -0.0049707200000000 ] - [ 0.0012468000000000, 0.0003465600000000, 0.0011772300000000 ] - [ -0.0001879900000000, 0.0002525500000000, 0.0002056200000000 ] - [ -0.0002270300000000, 0.0002626300000000, -0.0001009200000000 ] - [ 0.0098522300000000, -0.0011818400000000, -0.0107706300000000 ] - [ 0.0017621000000000, 0.0000811200000000, 0.0012826800000000 ] - [ -0.0004602900000000, 0.0013541600000000, -0.0001594600000000 ] - [ 0.0013313400000000, -0.0003587200000000, 0.0000250400000000 ] - [ -0.0004526400000000, -0.0002235900000000, -0.0014175700000000 ] - [ 0.0010400100000000, 0.0001307200000000, 0.0003224500000000 ] - [ 0.0019507100000000, 0.0003482600000000, 0.0005749600000000 ] - [ 0.0017124100000000, -0.0016876600000000, 0.0007848500000000 ] - [ -0.0004649800000000, 0.0006267700000000, 0.0004875400000000 ] - [ 0.0005950300000000, -0.0003394800000000, -0.0004561100000000 ] - [ 0.0000025100000000, -0.0002334600000000, -0.0012427900000000 ] - [ 0.0000388900000000, 0.0002992100000000, 0.0005624400000000 ] - [ 0.0007913300000000, -0.0000451500000000, -0.0008576500000000 ] - [ -0.0000959200000000, -0.0003219300000000, 0.0001716100000000 ] - [ -0.0013068500000000, 0.0110510000000000, -0.0013010500000000 ] - [ 0.0005562200000000, -0.0003781100000000, 0.0001427500000000 ] - [ -0.0022901300000000, -0.0000449100000000, 0.0004368000000000 ] - [ -0.0012383500000000, -0.0013510200000000, -0.0001057800000000 ] - [ -0.0024728900000000, 0.0070197300000000, 0.0004726800000000 ] - [ -0.0027764600000000, -0.0000546400000000, 0.0004841300000000 ] - [ -0.0006236000000000, -0.0003558000000000, 0.0026591800000000 ] - [ -0.0008287800000000, -0.0002020600000000, -0.0002169600000000 ] - [ -0.0008990400000000, 0.0015517700000000, -0.0043622800000000 ] - [ -0.0035530300000000, -0.0011820300000000, -0.0003564400000000 ] - [ 0.0013900000000000, -0.0002660200000000, 0.0001964700000000 ] - [ -0.0014713500000000, -0.0007565400000000, 0.0006005900000000 ] - [ 0.0008425700000000, 0.0007908000000000, 0.0050129400000000 ] - [ -0.0000755100000000, -0.0005055600000000, -0.0019947900000000 ] - [ 0.0038409100000000, 0.0015430600000000, 0.0006776500000000 ] - [ -0.0007501500000000, 0.0001971700000000, -0.0005990100000000 ] - [ -0.0088534300000000, -0.0016156700000000, 0.0008379200000000 ] - [ -0.0051535800000000, 0.0016350800000000, -0.0037224100000000 ] - [ 0.0054210300000000, 0.0012899500000000, -0.0020800200000000 ] - [ -0.0023110700000000, 0.0009735900000000, 0.0015029500000000 ] - [ 0.0009138900000000, 0.0006456600000000, 0.0007212000000000 ] - [ 0.0003359900000000, 0.0008862600000000, -0.0012800200000000 ] - [ -0.0011804200000000, 0.0008291600000000, 0.0011064400000000 ] - [ 0.0055235500000000, -0.0030607700000000, -0.0055516800000000 ] - [ 0.0391419500000000, -0.0011150000000000, -0.0021180500000000 ] - [ -0.0015924400000000, -0.0009608100000000, -0.0003413200000000 ] - [ 0.0018504300000000, -0.0016899100000000, 0.0000801000000000 ] - [ -0.0012064400000000, 0.0002914900000000, -0.0005754200000000 ] - [ -0.0011617800000000, 0.0003272400000000, 0.0022693000000000 ] - [ 0.0002401100000000, 0.0006460000000000, -0.0016537600000000 ] - [ 0.0000286900000000, 0.0008437100000000, -0.0011041100000000 ] - [ -0.0010335800000000, -0.0004055500000000, 0.0001541800000000 ] - [ 0.0029014200000000, -0.0022815600000000, 0.0053392300000000 ] - [ -0.0010072400000000, -0.0001033400000000, -0.0014951500000000 ] - [ 0.0003751500000000, 0.0002025500000000, 0.0039420100000000 ] - [ -0.0011080700000000, 0.0008332300000000, -0.0019069100000000 ] - [ 0.0021910000000000, 0.0009193700000000, 0.0009293500000000 ] - [ -0.0007696600000000, 0.0011797200000000, 0.0003704800000000 ] - [ -0.0023364200000000, -0.0042040700000000, 0.0034411900000000 ] - [ -0.0009066900000000, -0.0000383300000000, -0.0009715700000000 ] - [ 0.0138113100000000, -0.0069339600000000, -0.0044404600000000 ] - [ -0.0023561100000000, -0.0013894100000000, -0.0007030900000000 ] - [ 0.0306210300000000, -0.0006859200000000, -0.0133894900000000 ] - [ -0.0031194300000000, 0.0005085000000000, -0.0015035800000000 ] - [ -0.0009532700000000, 0.0001037800000000, 0.0010720300000000 ] - [ 0.0004523600000000, 0.0002736000000000, -0.0004149600000000 ] - [ -0.0044158800000000, -0.0049424300000000, -0.0066195000000000 ] - [ -0.0040609700000000, 0.0020068500000000, 0.0008667700000000 ] - [ 0.0011639200000000, 0.0006679200000000, 0.0020725500000000 ] - [ -0.0004561000000000, -0.0001973800000000, -0.0008859800000000 ]- atom: 1 displacement: [ -0.0099999999206514, 0.0000000000000000, -0.0000012597509720 ] forces: - [ 0.0988292100000000, -0.0127416400000000, -0.0390916200000000 ] - [ -0.0015205100000000, 0.0000753300000000, 0.0003435300000000 ] - [ -0.0005563200000000, -0.0003566600000000, 0.0005393500000000 ] - [ 0.0001537600000000, 0.0000608000000000, -0.0004659500000000 ] - [ 0.0025848900000000, -0.0006813700000000, -0.0018563700000000 ] - [ -0.0008798000000000, 0.0001202200000000, 0.0005127600000000 ] - [ -0.0003506700000000, -0.0002862700000000, 0.0009608800000000 ] - [ -0.0003293900000000, -0.0000982300000000, -0.0003104500000000 ] - [ -0.0001682400000000, -0.0004066700000000, -0.0006767200000000 ] - [ 0.0003909800000000, -0.0009351700000000, -0.0005206500000000 ] - [ 0.0068996400000000, 0.0005606400000000, -0.0033170600000000 ] - [ -0.0015576800000000, -0.0006514500000000, 0.0001594500000000 ] - [ -0.0005753400000000, 0.0004299200000000, 0.0009674600000000 ] - [ -0.0011211300000000, 0.0007556200000000, -0.0003941400000000 ] - [ 0.0012392600000000, 0.0008118400000000, -0.0006063900000000 ] - [ 0.0010752300000000, 0.0006034200000000, 0.0003474300000000 ] - [ 0.0051971100000000, 0.0007716000000000, 0.0041264300000000 ] - [ -0.0004605500000000, 0.0000129400000000, -0.0007209000000000 ] - [ -0.0002323900000000, 0.0001108500000000, 0.0007379400000000 ] - [ -0.0009058000000000, 0.0002365600000000, -0.0000098600000000 ] - [ -0.0070900200000000, -0.0199288900000000, 0.0072921600000000 ] - [ -0.0022033800000000, -0.0000478300000000, -0.0003883500000000 ] - [ -0.0009878600000000, 0.0016928300000000, 0.0014527500000000 ] - [ 0.0000134000000000, -0.0003319200000000, -0.0006273200000000 ] - [ -0.0008566100000000, -0.0000166400000000, 0.0000273300000000 ] - [ 0.0006766700000000, -0.0010331000000000, -0.0011979600000000 ] - [ -0.0033913000000000, 0.0264650300000000, 0.0010497200000000 ] - [ -0.0012154900000000, 0.0000811100000000, 0.0007004700000000 ] - [ -0.0000720000000000, 0.0000311600000000, 0.0010867600000000 ] - [ -0.0000356100000000, 0.0000855100000000, 0.0001895400000000 ] - [ 0.0001513000000000, 0.0002513300000000, -0.0053795100000000 ] - [ -0.0015504000000000, 0.0004249500000000, 0.0002083900000000 ] - [ 0.0005688800000000, -0.0005073900000000, 0.0008095500000000 ] - [ -0.0011320900000000, 0.0000772700000000, -0.0000733300000000 ] - [ 0.0037032400000000, -0.0011706800000000, 0.0013449000000000 ] - [ -0.0013707600000000, -0.0003435800000000, -0.0003844100000000 ] - [ 0.0002330000000000, 0.0005131700000000, 0.0003663200000000 ] - [ 0.0003967700000000, 0.0004206800000000, 0.0005819500000000 ] - [ -0.0047294900000000, -0.0041776200000000, 0.0039570200000000 ] - [ -0.0015759100000000, 0.0005914900000000, -0.0014238600000000 ] - [ -0.0001654700000000, 0.0005773400000000, 0.0011427000000000 ] - [ 0.0003392000000000, 0.0002644600000000, -0.0023260600000000 ] - [ 0.0008732400000000, 0.0025253600000000, 0.0017921400000000 ] - [ -0.0005923900000000, 0.0003143900000000, 0.0000012000000000 ] - [ 0.0008694900000000, -0.0008806700000000, 0.0024061500000000 ] - [ -0.0003006200000000, -0.0003028700000000, -0.0003065100000000 ] - [ -0.0013475200000000, 0.0020449100000000, -0.0031491800000000 ] - [ -0.0013211400000000, -0.0011827300000000, -0.0010095400000000 ] - [ -0.0028889000000000, 0.0006550200000000, 0.0008487000000000 ] - [ -0.0045180500000000, -0.0038640900000000, -0.0063407600000000 ] - [ 0.0019504100000000, 0.0027087900000000, -0.0015112400000000 ] - [ -0.0007701100000000, -0.0006895100000000, 0.0000349600000000 ] - [ -0.0007939100000000, 0.0013614200000000, 0.0017769500000000 ] - [ 0.0001068000000000, 0.0001558600000000, -0.0008122400000000 ] - [ 0.0007003200000000, 0.0012238600000000, -0.0011632900000000 ] - [ -0.0014024000000000, -0.0004774300000000, 0.0009194700000000 ] - [ -0.0001693500000000, 0.0002609300000000, 0.0025101500000000 ] - [ 0.0000209900000000, 0.0003898000000000, -0.0005846100000000 ] - [ 0.0008676300000000, 0.0004402600000000, -0.0006576600000000 ] - [ -0.0007348200000000, 0.0002461600000000, -0.0001693700000000 ] - [ -0.0022808600000000, -0.0018076200000000, 0.0018257500000000 ] - [ -0.0008225200000000, 0.0006505800000000, -0.0021634300000000 ] - [ 0.0028827800000000, 0.0021204600000000, -0.0009420600000000 ] - [ -0.0005322600000000, -0.0004412800000000, 0.0002518300000000 ] - [ -0.0040762800000000, -0.0006924700000000, -0.0007447900000000 ] - [ -0.0052653300000000, 0.0013762700000000, -0.0024739800000000 ] - [ 0.0011105700000000, 0.0001531200000000, 0.0000783300000000 ] - [ -0.0004484500000000, -0.0002715700000000, -0.0004444100000000 ] - [ -0.0024650100000000, 0.0055191400000000, 0.0044918600000000 ] - [ -0.0011889900000000, 0.0001235700000000, -0.0016933400000000 ] - [ 0.0001275000000000, 0.0002120600000000, 0.0003122700000000 ] - [ 0.0001651900000000, 0.0002023900000000, 0.0006239500000000 ] - [ -0.0108539000000000, 0.0009606200000000, 0.0109492900000000 ] - [ -0.0028491600000000, -0.0002658400000000, -0.0009740800000000 ] - [ 0.0015387600000000, -0.0015467300000000, -0.0001624600000000 ] - [ -0.0002530500000000, 0.0001730200000000, -0.0003462600000000 ] - [ 0.0015376200000000, 0.0004135300000000, 0.0011054400000000 ] - [ 0.0000393700000000, 0.0000505900000000, -0.0006348000000000 ] - [ -0.0014323300000000, -0.0011981500000000, 0.0000410200000000 ] - [ -0.0011615400000000, 0.0008366900000000, -0.0001720100000000 ] - [ 0.0006459500000000, -0.0003626600000000, -0.0008588100000000 ] - [ -0.0004162000000000, 0.0006090400000000, 0.0000881700000000 ] - [ -0.0001900900000000, 0.0005022200000000, 0.0016163200000000 ] - [ -0.0002180100000000, -0.0000335300000000, -0.0001956700000000 ] - [ -0.0006137100000000, -0.0002193200000000, 0.0004916600000000 ] - [ 0.0002846800000000, 0.0000494100000000, -0.0005400000000000 ] - [ 0.0011453100000000, -0.0114179500000000, 0.0016759900000000 ] - [ -0.0007390300000000, 0.0001108100000000, 0.0002267500000000 ] - [ 0.0008831900000000, -0.0016037100000000, 0.0004683000000000 ] - [ -0.0001856700000000, -0.0002916300000000, 0.0010137000000000 ] - [ 0.0009775800000000, -0.0063346200000000, 0.0009539900000000 ] - [ 0.0013138400000000, 0.0006699300000000, 0.0009229200000000 ] - [ -0.0008426900000000, -0.0002582200000000, -0.0012725300000000 ] - [ -0.0006446400000000, -0.0004149600000000, 0.0016275300000000 ] - [ 0.0023728100000000, -0.0021650700000000, 0.0029587100000000 ] - [ 0.0050745800000000, 0.0005713600000000, -0.0010524600000000 ] - [ -0.0023898400000000, -0.0003255100000000, 0.0004249100000000 ] - [ 0.0004884500000000, 0.0001665100000000, 0.0000148700000000 ] - [ 0.0001492400000000, -0.0014026500000000, -0.0056806400000000 ] - [ 0.0010637700000000, -0.0000931000000000, 0.0013718500000000 ] - [ -0.0028511100000000, -0.0009371700000000, -0.0012984100000000 ] - [ 0.0017438600000000, 0.0004016000000000, -0.0000218400000000 ] - [ 0.0078713000000000, 0.0022029300000000, -0.0002088400000000 ] - [ 0.0041763400000000, -0.0010445900000000, 0.0043941500000000 ] - [ -0.0068714800000000, 0.0003307800000000, 0.0030020100000000 ] - [ 0.0008991700000000, 0.0006686000000000, -0.0006230200000000 ] - [ 0.0005083500000000, 0.0010083400000000, -0.0016302900000000 ] - [ 0.0010843500000000, 0.0007641500000000, 0.0003789400000000 ] - [ 0.0026545500000000, -0.0002053100000000, -0.0025191900000000 ] - [ -0.0041028800000000, 0.0036793200000000, 0.0041620600000000 ] - [ -0.0378154300000000, -0.0014390700000000, 0.0017556400000000 ] - [ 0.0030215100000000, -0.0006899100000000, -0.0005610200000000 ] - [ -0.0015839900000000, 0.0021716600000000, -0.0002215800000000 ] - [ 0.0014859400000000, 0.0001743800000000, 0.0004283600000000 ] - [ 0.0008906500000000, 0.0001298200000000, -0.0021313900000000 ] - [ -0.0005666000000000, -0.0001849900000000, 0.0017639000000000 ] - [ -0.0003024300000000, -0.0013034400000000, 0.0012585300000000 ] - [ 0.0007619900000000, -0.0000505400000000, -0.0000040800000000 ] - [ -0.0025639200000000, 0.0017941000000000, -0.0055310800000000 ] - [ 0.0012779400000000, -0.0003633600000000, 0.0013539000000000 ] - [ -0.0006989400000000, 0.0017038200000000, -0.0046950300000000 ] - [ 0.0007872400000000, 0.0010604900000000, 0.0011891400000000 ] - [ -0.0018798900000000, 0.0009792800000000, -0.0002054200000000 ] - [ 0.0010932000000000, 0.0007169600000000, 0.0003372000000000 ] - [ 0.0026796400000000, 0.0023245200000000, -0.0027388300000000 ] - [ 0.0012152800000000, -0.0018616500000000, 0.0016897000000000 ] - [ -0.0141577500000000, 0.0047921300000000, 0.0036803000000000 ] - [ 0.0020461500000000, -0.0005019200000000, -0.0000073200000000 ] - [ -0.0317198200000000, 0.0008497900000000, 0.0143458600000000 ] - [ 0.0035452200000000, -0.0002438600000000, 0.0011449000000000 ] - [ 0.0005334500000000, 0.0001636300000000, -0.0007229200000000 ] - [ -0.0008800300000000, -0.0000002900000000, 0.0007638800000000 ] - [ 0.0040089700000000, 0.0046490900000000, 0.0069878000000000 ] - [ 0.0036634300000000, -0.0023023800000000, -0.0005105500000000 ] - [ -0.0007325600000000, -0.0009359100000000, -0.0024433900000000 ] - [ 0.0008787000000000, -0.0000661400000000, 0.0005350400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0127563500000000, -0.3160714000000000, 0.1039493800000000 ] - [ -0.0001899400000000, -0.0004205400000000, 0.0000204200000000 ] - [ -0.0002296100000000, 0.0032391000000000, 0.0000831800000000 ] - [ 0.0001784500000000, 0.0013156700000000, -0.0000885400000000 ] - [ 0.0007934600000000, -0.0003928100000000, 0.0039363500000000 ] - [ 0.0000009400000000, -0.0001511100000000, -0.0001088200000000 ] - [ -0.0003982800000000, 0.0004147900000000, 0.0005577300000000 ] - [ -0.0002154600000000, 0.0002244100000000, 0.0000104300000000 ] - [ -0.0005293100000000, 0.0004194700000000, -0.0007608600000000 ] - [ 0.0016672800000000, 0.0006318400000000, 0.0000368100000000 ] - [ -0.0014103000000000, -0.0003752800000000, -0.0158054800000000 ] - [ -0.0006092300000000, -0.0008919900000000, 0.0002547300000000 ] - [ -0.0000199800000000, 0.0013978000000000, 0.0000587700000000 ] - [ -0.0010206800000000, 0.0011511000000000, -0.0001966800000000 ] - [ 0.0006216500000000, -0.0002368800000000, -0.0001366300000000 ] - [ 0.0006580200000000, -0.0000096900000000, -0.0016589600000000 ] - [ 0.0001998900000000, -0.0017250900000000, -0.0013948400000000 ] - [ 0.0002885100000000, -0.0003855200000000, -0.0002934300000000 ] - [ -0.0008618600000000, 0.0009383500000000, 0.0004372000000000 ] - [ -0.0007987700000000, 0.0006160500000000, 0.0001531200000000 ] - [ 0.0177513200000000, 0.0183573800000000, -0.0090844600000000 ] - [ -0.0010026900000000, -0.0004951600000000, 0.0001348100000000 ] - [ -0.0065716500000000, 0.0055436700000000, 0.0048987900000000 ] - [ 0.0009514300000000, 0.0000471800000000, -0.0002176300000000 ] - [ -0.0012217600000000, 0.0000168500000000, -0.0001310600000000 ] - [ 0.0013998600000000, 0.0012805400000000, -0.0003357100000000 ] - [ -0.0247582300000000, 0.0455876600000000, 0.0021441300000000 ] - [ 0.0003013200000000, -0.0003041000000000, 0.0004164500000000 ] - [ 0.0002559100000000, 0.0012276000000000, 0.0003048200000000 ] - [ 0.0001433400000000, 0.0006509900000000, 0.0003410000000000 ] - [ -0.0002343600000000, -0.0033159900000000, -0.0023007700000000 ] - [ 0.0003714100000000, -0.0007231100000000, -0.0006805000000000 ] - [ -0.0004883600000000, 0.0004623900000000, -0.0012386600000000 ] - [ -0.0005947100000000, 0.0001109800000000, 0.0002409800000000 ] - [ 0.0032660900000000, 0.0001918600000000, 0.0070413700000000 ] - [ -0.0005280400000000, -0.0005748700000000, -0.0003652200000000 ] - [ 0.0003165500000000, 0.0008726800000000, 0.0007516200000000 ] - [ 0.0000856800000000, 0.0011150600000000, -0.0000613700000000 ] - [ 0.0001122000000000, -0.0002880000000000, -0.0004361900000000 ] - [ -0.0018026900000000, -0.0005828200000000, -0.0010408300000000 ] - [ -0.0002944900000000, -0.0001365400000000, -0.0005315400000000 ] - [ 0.0007079000000000, -0.0013434900000000, 0.0008661400000000 ] - [ 0.0000414500000000, 0.0062248800000000, 0.0031656400000000 ] - [ 0.0003488600000000, 0.0010984900000000, 0.0006412100000000 ] - [ 0.0004770700000000, 0.0003126300000000, -0.0012361900000000 ] - [ -0.0001652500000000, -0.0005326100000000, 0.0002329600000000 ] - [ -0.0050729400000000, 0.0021191400000000, -0.0067961900000000 ] - [ 0.0001275600000000, -0.0005077300000000, -0.0004192800000000 ] - [ -0.0005391900000000, -0.0010691300000000, -0.0001597000000000 ] - [ 0.0042553000000000, -0.0023932100000000, 0.0018121400000000 ] - [ 0.0019929100000000, 0.0062903000000000, -0.0020639100000000 ] - [ 0.0004005500000000, 0.0001116800000000, -0.0002635100000000 ] - [ 0.0002149700000000, 0.0004588800000000, -0.0004644600000000 ] - [ 0.0002106700000000, 0.0005897300000000, 0.0003181000000000 ] - [ 0.0000019400000000, 0.0005526500000000, -0.0015662500000000 ] - [ -0.0000148100000000, 0.0002198500000000, 0.0003139500000000 ] - [ 0.0007401100000000, -0.0003618800000000, -0.0001259800000000 ] - [ -0.0001861600000000, -0.0003069700000000, 0.0002085400000000 ] - [ -0.0000705300000000, 0.0019005300000000, -0.0008269200000000 ] - [ -0.0001683800000000, 0.0007501100000000, -0.0001318100000000 ] - [ 0.0004678100000000, -0.0027105800000000, -0.0007310100000000 ] - [ -0.0010014700000000, -0.0016688300000000, -0.0001825900000000 ] - [ 0.0017828800000000, 0.0072429600000000, -0.0000773000000000 ] - [ 0.0000360900000000, 0.0000267500000000, 0.0003802300000000 ] - [ 0.0007763700000000, -0.0027993100000000, -0.0000457500000000 ] - [ 0.0002233400000000, -0.0022306300000000, 0.0006362500000000 ] - [ 0.0009720800000000, 0.0020324000000000, -0.0004744400000000 ] - [ -0.0000214100000000, 0.0001689300000000, -0.0004735900000000 ] - [ -0.0001444500000000, -0.0023530400000000, -0.0001441400000000 ] - [ 0.0010252100000000, -0.0005173900000000, 0.0002416900000000 ] - [ -0.0000977500000000, 0.0007986600000000, -0.0003796500000000 ] - [ 0.0005474500000000, 0.0009892900000000, 0.0008952000000000 ] - [ -0.0055832600000000, -0.0071725900000000, 0.0050670800000000 ] - [ -0.0000574700000000, -0.0007899900000000, 0.0003036000000000 ] - [ 0.0001944000000000, 0.0042066500000000, 0.0007378900000000 ] - [ 0.0000859200000000, 0.0005801700000000, -0.0001264700000000 ] - [ 0.0003424800000000, -0.0001312500000000, 0.0001824000000000 ] - [ 0.0003934700000000, 0.0003849600000000, -0.0006352600000000 ] - [ 0.0021572100000000, 0.0005108500000000, 0.0006935600000000 ] - [ -0.0051622000000000, 0.0017538300000000, 0.0005074100000000 ] - [ 0.0003775400000000, 0.0018146200000000, 0.0000737100000000 ] - [ -0.0001814400000000, 0.0005037700000000, -0.0000047800000000 ] - [ -0.0002744100000000, -0.0008874700000000, 0.0006418400000000 ] - [ -0.0001106100000000, -0.0001932300000000, 0.0000726800000000 ] - [ 0.0006459100000000, 0.0000260600000000, -0.0005123000000000 ] - [ -0.0003958800000000, 0.0005690500000000, -0.0006602300000000 ] - [ 0.0125388400000000, 0.0181034400000000, -0.0085377700000000 ] - [ -0.0002432800000000, -0.0003118200000000, 0.0001798400000000 ] - [ 0.0034154100000000, -0.0042897300000000, 0.0008239000000000 ] - [ -0.0017338400000000, -0.0024887200000000, 0.0001388500000000 ] - [ 0.0052584500000000, -0.0159976700000000, -0.0016553500000000 ] - [ -0.0021704500000000, -0.0002221700000000, 0.0006534100000000 ] - [ -0.0006882300000000, -0.0020685800000000, 0.0019508900000000 ] - [ -0.0007907700000000, -0.0011491100000000, 0.0005048000000000 ] - [ 0.0036801900000000, 0.0026232200000000, 0.0044787200000000 ] - [ -0.0001160000000000, 0.0003178300000000, -0.0007734500000000 ] - [ -0.0003795900000000, -0.0017252000000000, 0.0015139900000000 ] - [ -0.0005531500000000, -0.0004820000000000, -0.0003719700000000 ] - [ 0.0004245900000000, 0.0000881600000000, -0.0004195400000000 ] - [ 0.0006640600000000, 0.0000569700000000, -0.0007073700000000 ] - [ -0.0012252500000000, -0.0073404400000000, -0.0017621000000000 ] - [ 0.0006456000000000, -0.0004279900000000, -0.0001567600000000 ] - [ 0.0012099500000000, 0.0051226900000000, 0.0017611000000000 ] - [ -0.0016478400000000, 0.0041049400000000, 0.0006011300000000 ] - [ -0.0008746800000000, 0.0060996700000000, -0.0003195800000000 ] - [ -0.0005453200000000, 0.0015274700000000, 0.0012815200000000 ] - [ 0.0006569300000000, -0.0005193100000000, -0.0003551800000000 ] - [ 0.0008765200000000, 0.0000729000000000, 0.0000260200000000 ] - [ 0.0013743400000000, 0.0010814400000000, -0.0008699700000000 ] - [ -0.0046839100000000, 0.0009671700000000, -0.0039884100000000 ] - [ 0.0019114100000000, 0.1864839100000000, -0.0861955700000000 ] - [ 0.0008347100000000, -0.0001862400000000, -0.0003351700000000 ] - [ -0.0023955500000000, -0.0074989800000000, 0.0026703000000000 ] - [ 0.0009552200000000, -0.0003610900000000, 0.0001469600000000 ] - [ -0.0004981700000000, 0.0011370200000000, 0.0002109800000000 ] - [ 0.0036262100000000, 0.0015775400000000, 0.0035589500000000 ] - [ 0.0005880700000000, -0.0056030700000000, 0.0007715400000000 ] - [ -0.0004039600000000, -0.0015649000000000, -0.0000735800000000 ] - [ -0.0041525700000000, 0.0051373300000000, 0.0019774100000000 ] - [ 0.0003641800000000, 0.0006202900000000, -0.0000959000000000 ] - [ -0.0005685500000000, 0.0020530100000000, 0.0003372500000000 ] - [ 0.0000659300000000, 0.0016426600000000, -0.0002673100000000 ] - [ -0.0000156100000000, -0.0016125800000000, -0.0021395400000000 ] - [ 0.0002483500000000, 0.0001791900000000, 0.0005671100000000 ] - [ -0.0047534400000000, -0.0063475600000000, 0.0039732400000000 ] - [ 0.0020640000000000, -0.0016393600000000, 0.0019717300000000 ] - [ -0.0059760100000000, 0.0346547400000000, 0.0035944300000000 ] - [ -0.0002486200000000, -0.0006466300000000, -0.0002017300000000 ] - [ 0.0004697400000000, 0.0188072600000000, -0.0026190200000000 ] - [ 0.0003953300000000, 0.0014506900000000, -0.0001959900000000 ] - [ -0.0001257000000000, -0.0010941900000000, 0.0001847700000000 ] - [ -0.0004866700000000, -0.0021406700000000, 0.0008122400000000 ] - [ -0.0076091700000000, 0.0004397200000000, -0.0066876300000000 ] - [ 0.0012048100000000, 0.0010837800000000, -0.0007207700000000 ] - [ 0.0003711200000000, -0.0022266400000000, -0.0038591500000000 ] - [ 0.0004032900000000, -0.0004894500000000, 0.0002233600000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0140534900000000, 0.3078286100000000, -0.0960879400000000 ] - [ -0.0001225500000000, 0.0005059700000000, 0.0000988200000000 ] - [ 0.0005632300000000, -0.0031697000000000, -0.0002112400000000 ] - [ 0.0001359300000000, -0.0012330100000000, -0.0000330400000000 ] - [ -0.0004880800000000, 0.0002763300000000, -0.0040597900000000 ] - [ 0.0003217900000000, 0.0000628500000000, -0.0000124900000000 ] - [ 0.0000856600000000, -0.0004900400000000, -0.0004482400000000 ] - [ -0.0001022300000000, -0.0003052000000000, 0.0001117300000000 ] - [ 0.0017594200000000, -0.0017168800000000, 0.0001756200000000 ] - [ -0.0004684000000000, -0.0019217100000000, -0.0006359300000000 ] - [ 0.0001853700000000, -0.0010078200000000, 0.0164529100000000 ] - [ -0.0005991800000000, -0.0004000600000000, 0.0003384300000000 ] - [ -0.0012005300000000, -0.0001044400000000, 0.0005397300000000 ] - [ -0.0001831100000000, 0.0001390800000000, 0.0008011500000000 ] - [ 0.0005833200000000, 0.0015229600000000, -0.0004731800000000 ] - [ 0.0005529900000000, 0.0013033700000000, 0.0010670200000000 ] - [ 0.0009577100000000, 0.0020121100000000, 0.0008790400000000 ] - [ 0.0008942800000000, 0.0006694500000000, -0.0001558200000000 ] - [ -0.0003139800000000, -0.0006607500000000, 0.0000132100000000 ] - [ -0.0003764300000000, -0.0003378400000000, 0.0002963300000000 ] - [ -0.0187278600000000, -0.0184459600000000, 0.0094090300000000 ] - [ -0.0001682700000000, 0.0002087300000000, 0.0003195900000000 ] - [ 0.0078496100000000, -0.0058976100000000, -0.0054349500000000 ] - [ 0.0002220100000000, -0.0003216100000000, -0.0002317800000000 ] - [ 0.0012455700000000, -0.0000920700000000, -0.0008473000000000 ] - [ -0.0014098600000000, -0.0013551600000000, -0.0006320600000000 ] - [ 0.0242681100000000, -0.0449897700000000, -0.0011759700000000 ] - [ -0.0002983000000000, 0.0002133200000000, 0.0005525400000000 ] - [ -0.0002586100000000, -0.0011483300000000, 0.0006620600000000 ] - [ -0.0001466800000000, -0.0005685400000000, 0.0006311700000000 ] - [ 0.0002007200000000, 0.0034384700000000, 0.0013072700000000 ] - [ -0.0003578500000000, 0.0008085000000000, -0.0002934300000000 ] - [ -0.0005992400000000, -0.0002585800000000, 0.0015694300000000 ] - [ -0.0004843900000000, 0.0000817100000000, 0.0000784800000000 ] - [ -0.0038562000000000, -0.0010185000000000, -0.0077312500000000 ] - [ 0.0000058600000000, -0.0002679800000000, -0.0002517200000000 ] - [ 0.0002138900000000, -0.0000293300000000, -0.0001338500000000 ] - [ 0.0004430000000000, -0.0002721600000000, 0.0006766300000000 ] - [ -0.0005920300000000, 0.0011979200000000, -0.0002234600000000 ] - [ 0.0012819300000000, 0.0014470200000000, 0.0004341600000000 ] - [ 0.0000327900000000, 0.0011301200000000, -0.0004493200000000 ] - [ -0.0009796400000000, 0.0023445100000000, -0.0018271400000000 ] - [ 0.0002167700000000, -0.0052301000000000, -0.0021761600000000 ] - [ -0.0000848300000000, -0.0001151800000000, 0.0003298400000000 ] - [ -0.0002255200000000, -0.0013092400000000, 0.0021970800000000 ] - [ 0.0004256500000000, -0.0004594400000000, 0.0007357100000000 ] - [ 0.0048675800000000, -0.0031140400000000, 0.0059126200000000 ] - [ -0.0003793300000000, -0.0004669000000000, -0.0005438700000000 ] - [ 0.0003345600000000, 0.0003661200000000, 0.0002998500000000 ] - [ -0.0044355600000000, 0.0017345200000000, -0.0016188500000000 ] - [ -0.0017897600000000, -0.0069898700000000, 0.0019081500000000 ] - [ -0.0001923700000000, -0.0008234800000000, 0.0001233600000000 ] - [ -0.0000013700000000, 0.0002392000000000, 0.0003124400000000 ] - [ -0.0000054600000000, 0.0001160800000000, -0.0004591800000000 ] - [ -0.0002080500000000, 0.0001683400000000, 0.0017239700000000 ] - [ -0.0001760800000000, 0.0005024300000000, -0.0001822400000000 ] - [ -0.0003717500000000, 0.0010147700000000, 0.0006855900000000 ] - [ 0.0005525200000000, 0.0009622000000000, 0.0003661300000000 ] - [ -0.0002975300000000, -0.0012485200000000, 0.0002698500000000 ] - [ -0.0001950000000000, -0.0000952000000000, -0.0004401700000000 ] - [ -0.0008241200000000, 0.0020557000000000, 0.0001517700000000 ] - [ 0.0006411500000000, 0.0010041500000000, -0.0003783700000000 ] - [ -0.0014433800000000, -0.0079463500000000, 0.0006685000000000 ] - [ 0.0003327900000000, -0.0006776900000000, 0.0001911900000000 ] - [ -0.0008452700000000, 0.0023331300000000, 0.0005711500000000 ] - [ -0.0002329700000000, 0.0017389000000000, -0.0000857300000000 ] - [ -0.0009190100000000, -0.0025066300000000, -0.0000608500000000 ] - [ 0.0000844800000000, -0.0006358000000000, -0.0000430800000000 ] - [ 0.0002255400000000, 0.0027706700000000, -0.0003972100000000 ] - [ -0.0009648300000000, 0.0009838200000000, -0.0007567700000000 ] - [ 0.0000389500000000, -0.0003297400000000, 0.0009000400000000 ] - [ -0.0006132700000000, -0.0005221000000000, -0.0003887700000000 ] - [ 0.0044883400000000, 0.0070532500000000, -0.0047516800000000 ] - [ -0.0010065200000000, 0.0006058100000000, 0.0000234000000000 ] - [ 0.0008959200000000, -0.0044100600000000, -0.0010596400000000 ] - [ 0.0009945100000000, -0.0007695700000000, -0.0001926700000000 ] - [ 0.0007331700000000, 0.0003091600000000, -0.0005082200000000 ] - [ 0.0006881300000000, -0.0002011000000000, 0.0003203300000000 ] - [ -0.0016229000000000, -0.0013635800000000, -0.0000699800000000 ] - [ 0.0056395100000000, -0.0025986600000000, 0.0001168400000000 ] - [ -0.0001965500000000, -0.0015609800000000, -0.0004350500000000 ] - [ 0.0003633600000000, -0.0002447600000000, -0.0003620700000000 ] - [ 0.0000978800000000, 0.0011625800000000, -0.0002815000000000 ] - [ -0.0000712200000000, 0.0004633100000000, 0.0002967600000000 ] - [ -0.0004591200000000, -0.0002967300000000, 0.0001393900000000 ] - [ 0.0005795500000000, -0.0008432300000000, 0.0002904200000000 ] - [ -0.0130061000000000, -0.0186914200000000, 0.0090800900000000 ] - [ 0.0000645400000000, 0.0000514600000000, 0.0001876500000000 ] - [ -0.0048882200000000, 0.0026659500000000, 0.0000733000000000 ] - [ 0.0003240100000000, 0.0008349300000000, 0.0007690200000000 ] - [ -0.0067170200000000, 0.0166117600000000, 0.0030437500000000 ] - [ 0.0006949200000000, 0.0008474000000000, 0.0007451400000000 ] - [ -0.0007798900000000, 0.0014673400000000, -0.0005417000000000 ] - [ -0.0006776800000000, 0.0005423400000000, 0.0008952000000000 ] - [ -0.0022200100000000, -0.0033150200000000, -0.0059356000000000 ] - [ 0.0015391300000000, -0.0009485900000000, -0.0006269700000000 ] - [ -0.0005993700000000, 0.0011279500000000, -0.0009019200000000 ] - [ -0.0004383000000000, -0.0001170300000000, 0.0010052900000000 ] - [ 0.0005566500000000, -0.0006594600000000, -0.0001704200000000 ] - [ 0.0003198300000000, -0.0006430800000000, 0.0000797000000000 ] - [ 0.0022096300000000, 0.0079637000000000, 0.0011620700000000 ] - [ 0.0003356100000000, 0.0010194600000000, -0.0004687900000000 ] - [ -0.0021964600000000, -0.0045324400000000, -0.0011449600000000 ] - [ 0.0006258600000000, -0.0035033100000000, -0.0000139000000000 ] - [ -0.0005041400000000, -0.0044269900000000, 0.0012696000000000 ] - [ -0.0008823300000000, 0.0001221400000000, -0.0003784800000000 ] - [ 0.0007615700000000, 0.0021671900000000, -0.0005466500000000 ] - [ 0.0005394900000000, 0.0015754200000000, -0.0009368900000000 ] - [ 0.0000832400000000, -0.0004842400000000, -0.0005228000000000 ] - [ 0.0062246500000000, -0.0004026100000000, 0.0025550800000000 ] - [ -0.0000350300000000, -0.1781768300000000, 0.0783237000000000 ] - [ 0.0005732300000000, -0.0014576300000000, -0.0005644100000000 ] - [ 0.0027008600000000, 0.0079695800000000, -0.0028459400000000 ] - [ -0.0006949100000000, 0.0008215800000000, -0.0002992600000000 ] - [ 0.0002176100000000, -0.0006661200000000, -0.0000467300000000 ] - [ -0.0039234100000000, -0.0011099300000000, -0.0034390300000000 ] - [ -0.0008793100000000, 0.0051758200000000, -0.0006522800000000 ] - [ 0.0001363000000000, 0.0010969100000000, 0.0002164400000000 ] - [ 0.0044548100000000, -0.0056140800000000, -0.0021192000000000 ] - [ -0.0000911400000000, -0.0010813700000000, -0.0000520400000000 ] - [ 0.0002496700000000, -0.0001885400000000, -0.0010189100000000 ] - [ -0.0003861700000000, 0.0002438700000000, -0.0004562400000000 ] - [ 0.0003294100000000, 0.0035377200000000, 0.0028410100000000 ] - [ 0.0000660700000000, 0.0017271900000000, 0.0001494500000000 ] - [ 0.0050647300000000, 0.0044619000000000, -0.0032416100000000 ] - [ -0.0017384700000000, -0.0002405900000000, -0.0012445600000000 ] - [ 0.0066022700000000, -0.0387318400000000, -0.0049939000000000 ] - [ -0.0000811300000000, -0.0012611500000000, -0.0005183900000000 ] - [ -0.0000042800000000, -0.0185749600000000, 0.0022451600000000 ] - [ 0.0000230800000000, -0.0011894300000000, -0.0001564400000000 ] - [ -0.0003073200000000, 0.0013674000000000, 0.0001739400000000 ] - [ 0.0000756000000000, 0.0024164200000000, -0.0004496300000000 ] - [ 0.0071977400000000, -0.0006658300000000, 0.0070138700000000 ] - [ -0.0016455700000000, -0.0013165900000000, 0.0010675100000000 ] - [ 0.0000551600000000, 0.0019631800000000, 0.0035623000000000 ] - [ 0.0000156900000000, 0.0002173200000000, -0.0005784100000000 ]- atom: 1 displacement: [ -0.0050436217710434, 0.0000000000000000, 0.0086349220859633 ] forces: - [ 0.0836457600000000, 0.0786376200000000, -0.1332356400000000 ] - [ -0.0010925200000000, 0.0000242200000000, 0.0001898700000000 ] - [ -0.0007204200000000, -0.0002881600000000, 0.0004709700000000 ] - [ 0.0005071700000000, 0.0000750500000000, -0.0005832800000000 ] - [ 0.0029376600000000, 0.0030993200000000, 0.0011529900000000 ] - [ -0.0008586300000000, 0.0000005700000000, 0.0010123300000000 ] - [ -0.0010325200000000, -0.0006023900000000, 0.0013761200000000 ] - [ 0.0000743400000000, -0.0000254900000000, -0.0000391000000000 ] - [ 0.0000501000000000, -0.0004879200000000, -0.0009562300000000 ] - [ 0.0002318500000000, -0.0009449900000000, -0.0011686100000000 ] - [ 0.0061333900000000, -0.0129407600000000, 0.0188550000000000 ] - [ -0.0011964400000000, -0.0006711500000000, 0.0005038200000000 ] - [ -0.0009181200000000, 0.0002512000000000, 0.0009302900000000 ] - [ -0.0006453000000000, 0.0006150200000000, -0.0000372600000000 ] - [ 0.0016219900000000, 0.0012524700000000, 0.0019278000000000 ] - [ 0.0010857400000000, 0.0010040800000000, 0.0028066900000000 ] - [ 0.0028706900000000, 0.0003846700000000, 0.0078888800000000 ] - [ 0.0002367800000000, 0.0002288700000000, 0.0001442200000000 ] - [ -0.0007550900000000, 0.0002664100000000, 0.0009245100000000 ] - [ -0.0004359500000000, 0.0000373800000000, 0.0003241200000000 ] - [ -0.0075943900000000, -0.0151648300000000, -0.0013112300000000 ] - [ -0.0017839100000000, 0.0000460000000000, -0.0005593600000000 ] - [ -0.0009984200000000, 0.0016764000000000, 0.0010030300000000 ] - [ 0.0006020800000000, -0.0002562100000000, -0.0005878300000000 ] - [ -0.0008653000000000, -0.0000469300000000, 0.0000658900000000 ] - [ 0.0012465000000000, 0.0004137300000000, -0.0011999100000000 ] - [ -0.0030695300000000, 0.0165115600000000, -0.0065368400000000 ] - [ -0.0008540700000000, 0.0001227800000000, 0.0006721000000000 ] - [ -0.0005635500000000, -0.0003283900000000, 0.0013914000000000 ] - [ 0.0002469600000000, 0.0001875900000000, 0.0003493300000000 ] - [ 0.0037204600000000, -0.0010758000000000, 0.0002715800000000 ] - [ -0.0020327800000000, 0.0008367900000000, 0.0006427900000000 ] - [ 0.0001375000000000, -0.0011431900000000, 0.0009820900000000 ] - [ -0.0008414100000000, 0.0000833000000000, 0.0002602900000000 ] - [ 0.0023016400000000, 0.0020801900000000, 0.0024796400000000 ] - [ -0.0010799100000000, -0.0003635300000000, -0.0001329700000000 ] - [ 0.0004933000000000, 0.0007039700000000, 0.0008091600000000 ] - [ 0.0002255500000000, 0.0000567600000000, 0.0011751800000000 ] - [ -0.0061202400000000, -0.0050897900000000, 0.0047175800000000 ] - [ 0.0004332100000000, 0.0001809400000000, -0.0008391400000000 ] - [ -0.0002858600000000, 0.0004180600000000, 0.0016911300000000 ] - [ 0.0013146700000000, 0.0010411700000000, -0.0004266400000000 ] - [ 0.0005048600000000, 0.0013536100000000, 0.0003854300000000 ] - [ -0.0002896400000000, 0.0003181400000000, 0.0003005000000000 ] - [ -0.0005270900000000, -0.0020930400000000, 0.0025495100000000 ] - [ 0.0002433700000000, -0.0004071800000000, 0.0002954700000000 ] - [ -0.0005741100000000, -0.0007688800000000, -0.0039694900000000 ] - [ -0.0015017100000000, -0.0012498100000000, -0.0011702800000000 ] - [ -0.0032437800000000, 0.0004923300000000, 0.0005232900000000 ] - [ 0.0016664300000000, -0.0018377900000000, -0.0038424500000000 ] - [ 0.0016516000000000, 0.0017215900000000, -0.0016155600000000 ] - [ -0.0005214600000000, -0.0005888300000000, 0.0000563900000000 ] - [ -0.0015073300000000, 0.0016653400000000, 0.0023077700000000 ] - [ 0.0007855300000000, 0.0002398300000000, -0.0002923100000000 ] - [ 0.0005378300000000, -0.0001572800000000, -0.0002896300000000 ] - [ -0.0017814200000000, -0.0006044000000000, 0.0012322000000000 ] - [ -0.0017813400000000, 0.0002748700000000, 0.0037762500000000 ] - [ 0.0011880300000000, 0.0004337900000000, 0.0003366200000000 ] - [ 0.0006818300000000, 0.0001374200000000, -0.0007596100000000 ] - [ -0.0006667800000000, 0.0001675600000000, 0.0000405300000000 ] - [ -0.0030693700000000, -0.0021058000000000, 0.0013863400000000 ] - [ 0.0009941800000000, 0.0001465100000000, -0.0022896200000000 ] - [ 0.0026160000000000, 0.0015946600000000, -0.0015236100000000 ] - [ -0.0003065700000000, -0.0004500700000000, 0.0002442000000000 ] - [ -0.0022553400000000, -0.0007462600000000, -0.0021527500000000 ] - [ -0.0058747200000000, 0.0014677700000000, -0.0054433100000000 ] - [ 0.0007256500000000, 0.0001757900000000, -0.0002284300000000 ] - [ -0.0002132800000000, -0.0002550100000000, -0.0002123600000000 ] - [ -0.0035464600000000, 0.0066811400000000, 0.0048072700000000 ] - [ -0.0001682300000000, 0.0003295100000000, -0.0008968700000000 ] - [ 0.0001428000000000, -0.0000562600000000, 0.0008875600000000 ] - [ 0.0001065500000000, 0.0002493000000000, 0.0011568100000000 ] - [ -0.0152084700000000, 0.0017044400000000, 0.0087990700000000 ] - [ -0.0012647200000000, -0.0003872600000000, -0.0009720100000000 ] - [ 0.0010904200000000, -0.0015758400000000, -0.0006449600000000 ] - [ 0.0001118300000000, 0.0000076700000000, -0.0004051400000000 ] - [ 0.0006743300000000, 0.0005621700000000, 0.0015702000000000 ] - [ 0.0009092400000000, -0.0003748300000000, 0.0005945400000000 ] - [ -0.0009661500000000, -0.0008136900000000, -0.0004059300000000 ] - [ -0.0005995500000000, 0.0006041600000000, -0.0004171500000000 ] - [ 0.0007258400000000, 0.0001945000000000, -0.0009684400000000 ] - [ -0.0004279300000000, 0.0005463500000000, 0.0001087900000000 ] - [ -0.0008716700000000, 0.0011002300000000, 0.0021494100000000 ] - [ 0.0001520900000000, 0.0000260200000000, 0.0000860300000000 ] - [ -0.0007046000000000, -0.0001923100000000, 0.0005793700000000 ] - [ 0.0010294900000000, -0.0009298100000000, -0.0004465200000000 ] - [ -0.0016780600000000, -0.0143757600000000, -0.0006649800000000 ] - [ -0.0004798100000000, 0.0000127000000000, 0.0001351000000000 ] - [ 0.0012478900000000, -0.0016896900000000, 0.0007390800000000 ] - [ -0.0010702900000000, -0.0009159700000000, 0.0018543500000000 ] - [ -0.0006637500000000, -0.0035161100000000, 0.0014872600000000 ] - [ 0.0007106200000000, 0.0004656700000000, 0.0007667100000000 ] - [ -0.0000966300000000, 0.0003580700000000, -0.0023651400000000 ] - [ -0.0013299200000000, -0.0005532500000000, 0.0008521200000000 ] - [ -0.0014760000000000, 0.0027204700000000, 0.0013695200000000 ] - [ 0.0065906700000000, 0.0005230200000000, -0.0010349500000000 ] - [ -0.0018699400000000, 0.0007503000000000, -0.0002828500000000 ] - [ 0.0004043800000000, 0.0003141200000000, -0.0006135500000000 ] - [ 0.0017297300000000, -0.0016687300000000, -0.0065476400000000 ] - [ -0.0004511900000000, -0.0001922600000000, -0.0000215400000000 ] - [ -0.0016947200000000, -0.0002648300000000, -0.0003025700000000 ] - [ 0.0012733500000000, 0.0004003300000000, -0.0002274200000000 ] - [ 0.0088631000000000, 0.0034506100000000, 0.0029676300000000 ] - [ -0.0004662800000000, 0.0012666600000000, 0.0063306400000000 ] - [ -0.0062971200000000, -0.0016779200000000, -0.0041824700000000 ] - [ 0.0004854600000000, 0.0003510500000000, -0.0025569900000000 ] - [ 0.0013229400000000, 0.0012133000000000, -0.0018238800000000 ] - [ 0.0003853000000000, 0.0008685000000000, -0.0001425800000000 ] - [ 0.0024782800000000, -0.0000803700000000, -0.0029608900000000 ] - [ -0.0050402300000000, -0.0001029000000000, 0.0009001800000000 ] - [ -0.0208008000000000, -0.0739292500000000, 0.0746307000000000 ] - [ 0.0023476400000000, -0.0006525400000000, -0.0006372200000000 ] - [ -0.0007168800000000, 0.0036955800000000, 0.0003042100000000 ] - [ 0.0008354400000000, 0.0003611200000000, 0.0002533600000000 ] - [ 0.0017333500000000, -0.0002138100000000, -0.0034361400000000 ] - [ -0.0062269800000000, 0.0005662100000000, -0.0036125700000000 ] - [ -0.0004520900000000, -0.0003835700000000, 0.0018226700000000 ] - [ 0.0007598000000000, 0.0001409000000000, 0.0001687100000000 ] - [ 0.0045990700000000, 0.0003323200000000, -0.0091761400000000 ] - [ -0.0005148200000000, -0.0002737700000000, -0.0000698500000000 ] - [ 0.0012035600000000, 0.0026396400000000, -0.0064930000000000 ] - [ -0.0008482600000000, 0.0006438200000000, -0.0007863000000000 ] - [ -0.0005530200000000, -0.0010076700000000, -0.0003476800000000 ] - [ 0.0008085800000000, 0.0010540300000000, -0.0004154400000000 ] - [ 0.0032612200000000, 0.0022815400000000, -0.0015283400000000 ] - [ -0.0000336100000000, -0.0013140700000000, 0.0018890200000000 ] - [ -0.0122393400000000, 0.0076056600000000, 0.0141603800000000 ] - [ 0.0013390100000000, -0.0006884800000000, 0.0002554100000000 ] - [ -0.0272706600000000, -0.0014364400000000, 0.0232147400000000 ] - [ 0.0017686600000000, -0.0002133900000000, 0.0008655600000000 ] - [ 0.0006522500000000, 0.0001715600000000, -0.0010889100000000 ] - [ -0.0009728300000000, 0.0005013500000000, 0.0002014700000000 ] - [ -0.0014745100000000, -0.0005839100000000, 0.0069763700000000 ] - [ 0.0039583300000000, -0.0025410900000000, -0.0000569000000000 ] - [ 0.0007964500000000, -0.0017856800000000, -0.0031123300000000 ] - [ 0.0001235200000000, -0.0000340300000000, -0.0002887400000000 ]- atom: 1 displacement: [ 0.0050436217710434, 0.0000000000000000, -0.0086349220859633 ] forces: - [ -0.0815326400000000, -0.0804749600000000, 0.1326621800000000 ] - [ 0.0007706200000000, 0.0000600800000000, -0.0000703500000000 ] - [ 0.0010287200000000, 0.0003678900000000, -0.0005842800000000 ] - [ -0.0001873100000000, 0.0000079000000000, 0.0004636000000000 ] - [ -0.0025952300000000, -0.0031613200000000, -0.0012872100000000 ] - [ 0.0011662000000000, -0.0000803500000000, -0.0011256100000000 ] - [ 0.0007109400000000, 0.0005080900000000, -0.0012485400000000 ] - [ -0.0003900900000000, -0.0000580100000000, 0.0001569300000000 ] - [ 0.0011519300000000, -0.0008020900000000, 0.0003581100000000 ] - [ 0.0009783200000000, -0.0003488500000000, 0.0005667200000000 ] - [ -0.0074631500000000, 0.0117767500000000, -0.0183513700000000 ] - [ -0.0000128600000000, -0.0006183400000000, 0.0000937500000000 ] - [ -0.0002894300000000, 0.0010324300000000, -0.0003341600000000 ] - [ -0.0005661600000000, 0.0006751600000000, 0.0006300000000000 ] - [ -0.0003969300000000, 0.0000445400000000, -0.0025185800000000 ] - [ 0.0001209800000000, 0.0002879800000000, -0.0033893100000000 ] - [ -0.0016483500000000, -0.0000962200000000, -0.0082423300000000 ] - [ 0.0009346900000000, 0.0000528900000000, -0.0005916200000000 ] - [ -0.0004212100000000, 0.0000147600000000, -0.0004746600000000 ] - [ -0.0007443100000000, 0.0002457300000000, 0.0001257100000000 ] - [ 0.0063695400000000, 0.0149142700000000, 0.0018596300000000 ] - [ 0.0005962700000000, -0.0003239500000000, 0.0009997100000000 ] - [ 0.0021463700000000, -0.0019393100000000, -0.0014260800000000 ] - [ 0.0005804300000000, -0.0000285200000000, 0.0001366600000000 ] - [ 0.0008613500000000, -0.0000522400000000, -0.0010354100000000 ] - [ -0.0012381700000000, -0.0004998300000000, 0.0002250900000000 ] - [ 0.0031889000000000, -0.0167658700000000, 0.0074187400000000 ] - [ 0.0008431600000000, -0.0002116400000000, 0.0003043900000000 ] - [ 0.0005568500000000, 0.0004192400000000, -0.0004111100000000 ] - [ -0.0002501300000000, -0.0000954500000000, 0.0006239000000000 ] - [ -0.0036969700000000, 0.0011704500000000, -0.0012745400000000 ] - [ 0.0020167900000000, -0.0007364500000000, -0.0016103200000000 ] - [ -0.0012039900000000, 0.0013126300000000, -0.0006629300000000 ] - [ -0.0002414800000000, 0.0001004000000000, 0.0000597400000000 ] - [ -0.0028262100000000, -0.0029313300000000, -0.0030865900000000 ] - [ 0.0005532400000000, -0.0004878300000000, -0.0004873000000000 ] - [ 0.0000346400000000, 0.0001456300000000, -0.0001898000000000 ] - [ 0.0002989700000000, 0.0007929100000000, -0.0005497000000000 ] - [ 0.0055259800000000, 0.0058574000000000, -0.0052721400000000 ] - [ -0.0009652700000000, 0.0006670700000000, 0.0002154100000000 ] - [ 0.0000323100000000, 0.0005669200000000, -0.0026473600000000 ] - [ -0.0015697800000000, -0.0000567700000000, -0.0005369800000000 ] - [ -0.0002406400000000, -0.0003888200000000, 0.0005672100000000 ] - [ 0.0005445200000000, 0.0006677300000000, 0.0006679500000000 ] - [ 0.0007840200000000, 0.0011035100000000, -0.0015590900000000 ] - [ 0.0000175700000000, -0.0005771300000000, 0.0006749900000000 ] - [ 0.0003062800000000, -0.0002056900000000, 0.0029788600000000 ] - [ 0.0012282400000000, 0.0002519700000000, 0.0001886300000000 ] - [ 0.0030503600000000, -0.0011989300000000, -0.0003582000000000 ] - [ -0.0018082600000000, 0.0011299700000000, 0.0039996500000000 ] - [ -0.0014503400000000, -0.0024464800000000, 0.0014674200000000 ] - [ 0.0007173800000000, -0.0001214400000000, -0.0002094100000000 ] - [ 0.0016935800000000, -0.0009415400000000, -0.0024417700000000 ] - [ -0.0005840800000000, 0.0004686700000000, 0.0001354300000000 ] - [ -0.0007304400000000, 0.0008688900000000, 0.0004363200000000 ] - [ 0.0015608300000000, 0.0013006300000000, -0.0010683100000000 ] - [ 0.0021419600000000, 0.0003891800000000, -0.0031855500000000 ] - [ -0.0008180300000000, 0.0002260400000000, 0.0002288800000000 ] - [ -0.0010440100000000, 0.0005183600000000, 0.0001854800000000 ] - [ 0.0002942000000000, 0.0004899400000000, -0.0006078100000000 ] - [ 0.0026912800000000, 0.0014586800000000, -0.0019425700000000 ] - [ -0.0013538600000000, -0.0008051200000000, 0.0017099800000000 ] - [ -0.0022395600000000, -0.0022581900000000, 0.0020826700000000 ] - [ 0.0006722000000000, -0.0002124900000000, 0.0003230800000000 ] - [ 0.0021718000000000, 0.0002859800000000, 0.0026743900000000 ] - [ 0.0057492000000000, -0.0019045800000000, 0.0058745000000000 ] - [ -0.0006628300000000, -0.0006450100000000, -0.0002797400000000 ] - [ 0.0002744900000000, -0.0002126300000000, -0.0003037300000000 ] - [ 0.0035773800000000, -0.0061287900000000, -0.0052788200000000 ] - [ 0.0002226700000000, 0.0001386500000000, 0.0003741100000000 ] - [ -0.0002015600000000, 0.0005205600000000, -0.0003692900000000 ] - [ -0.0001696800000000, 0.0002151600000000, -0.0006328100000000 ] - [ 0.0143353800000000, -0.0019606700000000, -0.0085996500000000 ] - [ 0.0001888600000000, 0.0001973400000000, 0.0012798100000000 ] - [ -0.0000137000000000, 0.0013820600000000, 0.0003239900000000 ] - [ 0.0009663000000000, -0.0001928400000000, 0.0000836700000000 ] - [ 0.0004131400000000, -0.0003671000000000, -0.0018796500000000 ] - [ 0.0001657800000000, 0.0005586200000000, -0.0009134400000000 ] - [ 0.0014810900000000, -0.0000382300000000, 0.0010236200000000 ] - [ 0.0011612300000000, -0.0014560500000000, 0.0010303400000000 ] - [ -0.0005430700000000, 0.0000698900000000, 0.0005943600000000 ] - [ 0.0006069600000000, -0.0002754900000000, -0.0004775800000000 ] - [ 0.0006836000000000, -0.0008342500000000, -0.0017731400000000 ] - [ -0.0003307600000000, 0.0002390000000000, 0.0002810200000000 ] - [ 0.0008808100000000, -0.0000701800000000, -0.0009427000000000 ] - [ -0.0008468600000000, 0.0006643900000000, 0.0000797200000000 ] - [ 0.0014894300000000, 0.0139726900000000, 0.0009876700000000 ] - [ 0.0002959800000000, -0.0002793100000000, 0.0002350800000000 ] - [ -0.0026492600000000, 0.0000411700000000, 0.0001649000000000 ] - [ -0.0003575100000000, -0.0007324500000000, -0.0009443100000000 ] - [ -0.0008574600000000, 0.0042228300000000, -0.0000669200000000 ] - [ -0.0021687900000000, 0.0001512800000000, 0.0006418500000000 ] - [ -0.0013705400000000, -0.0009768500000000, 0.0037518700000000 ] - [ -0.0001440300000000, -0.0000652100000000, 0.0005582000000000 ] - [ 0.0029516200000000, -0.0033428900000000, -0.0027538700000000 ] - [ -0.0050534400000000, -0.0011269000000000, -0.0003701500000000 ] - [ 0.0008615300000000, -0.0013390300000000, 0.0009051900000000 ] - [ -0.0013832800000000, -0.0009026000000000, 0.0012288400000000 ] - [ -0.0007350900000000, 0.0010487800000000, 0.0058745900000000 ] - [ 0.0014440000000000, -0.0004044200000000, -0.0005932500000000 ] - [ 0.0026859800000000, 0.0008725200000000, -0.0003242800000000 ] - [ -0.0002789000000000, 0.0001989100000000, -0.0003928200000000 ] - [ -0.0098454000000000, -0.0028843900000000, -0.0023849300000000 ] - [ -0.0005561300000000, -0.0006390500000000, -0.0056453900000000 ] - [ 0.0047910500000000, 0.0032932000000000, 0.0050863800000000 ] - [ -0.0018901200000000, 0.0012918300000000, 0.0034444600000000 ] - [ 0.0000980100000000, 0.0004425700000000, 0.0009168100000000 ] - [ 0.0010367900000000, 0.0007797900000000, -0.0007564200000000 ] - [ -0.0010068300000000, 0.0007093300000000, 0.0015439900000000 ] - [ 0.0064987800000000, 0.0007047500000000, -0.0023292600000000 ] - [ 0.0217113400000000, 0.0748196300000000, -0.0760188100000000 ] - [ -0.0009159400000000, -0.0009968800000000, -0.0002668700000000 ] - [ 0.0009802000000000, -0.0032045100000000, -0.0004390200000000 ] - [ -0.0005511800000000, 0.0001038800000000, -0.0003979000000000 ] - [ -0.0020084400000000, 0.0006660700000000, 0.0035632800000000 ] - [ 0.0059379800000000, -0.0000993500000000, 0.0037426700000000 ] - [ 0.0001786200000000, -0.0000816600000000, -0.0016655600000000 ] - [ -0.0010340100000000, -0.0005948200000000, -0.0000160100000000 ] - [ -0.0042940100000000, -0.0008139100000000, 0.0089982600000000 ] - [ 0.0007845900000000, -0.0001899900000000, -0.0000747900000000 ] - [ -0.0015230200000000, -0.0007182500000000, 0.0057253900000000 ] - [ 0.0005305000000000, 0.0012520500000000, 0.0000691700000000 ] - [ 0.0008650300000000, 0.0028972200000000, 0.0010809000000000 ] - [ -0.0004827300000000, 0.0008394000000000, 0.0011283800000000 ] - [ -0.0029140500000000, -0.0041595100000000, 0.0022209900000000 ] - [ 0.0003419500000000, -0.0005872900000000, -0.0011742800000000 ] - [ 0.0119965900000000, -0.0099000800000000, -0.0148453500000000 ] - [ -0.0016497800000000, -0.0012038500000000, -0.0009634300000000 ] - [ 0.0255954500000000, 0.0015639100000000, -0.0222656500000000 ] - [ -0.0013277600000000, 0.0004764000000000, -0.0012171400000000 ] - [ -0.0010723400000000, 0.0000956200000000, 0.0014352000000000 ] - [ 0.0005459100000000, -0.0002343800000000, 0.0001431100000000 ] - [ 0.0010982600000000, 0.0003482200000000, -0.0065697200000000 ] - [ -0.0043521800000000, 0.0022381800000000, 0.0004210700000000 ] - [ -0.0003659500000000, 0.0015221900000000, 0.0027354500000000 ] - [ 0.0002976600000000, -0.0002301600000000, -0.0000623900000000 ]- atom: 9 displacement: [ 0.0099999999206514, 0.0000000000000000, 0.0000012597509720 ] forces: - [ 0.0006143000000000, -0.0011056200000000, -0.0001298800000000 ] - [ 0.0000540000000000, 0.0011106000000000, -0.0002506500000000 ] - [ -0.0073035900000000, 0.0008918900000000, 0.0035319700000000 ] - [ 0.0011108300000000, 0.0000449200000000, -0.0001885400000000 ] - [ 0.0001281900000000, 0.0005470900000000, -0.0004392100000000 ] - [ 0.0006757700000000, -0.0004605100000000, 0.0001965300000000 ] - [ -0.0007861100000000, -0.0000606900000000, 0.0008686100000000 ] - [ -0.0006333700000000, -0.0000905500000000, 0.0003483100000000 ] - [ -0.1101775000000000, -0.0015652300000000, -0.0558423400000000 ] - [ 0.0025513000000000, -0.0005106700000000, -0.0000149000000000 ] - [ -0.0000343500000000, -0.0007020800000000, 0.0010455200000000 ] - [ -0.0008255400000000, -0.0006491400000000, -0.0005983700000000 ] - [ 0.0011311700000000, 0.0008252000000000, 0.0010051800000000 ] - [ -0.0084898100000000, -0.0007836300000000, 0.0008533000000000 ] - [ 0.0003100200000000, 0.0006616300000000, -0.0012116400000000 ] - [ 0.0012073400000000, 0.0006677400000000, 0.0006459000000000 ] - [ 0.0007649900000000, 0.0000384000000000, -0.0005472500000000 ] - [ 0.0008205600000000, 0.0008193600000000, 0.0002716600000000 ] - [ -0.0002179500000000, 0.0002096800000000, -0.0004097500000000 ] - [ -0.0007708400000000, 0.0000400300000000, 0.0015549600000000 ] - [ -0.0007617500000000, 0.0006530700000000, 0.0001418400000000 ] - [ 0.0000902400000000, -0.0002125400000000, 0.0001646200000000 ] - [ 0.0124625100000000, -0.0087154600000000, 0.0209027200000000 ] - [ 0.0020938800000000, -0.0003165700000000, -0.0009584700000000 ] - [ -0.0028626200000000, 0.0048669400000000, -0.0108191700000000 ] - [ 0.0011626700000000, 0.0002346900000000, -0.0004613200000000 ] - [ 0.0005943200000000, 0.0000941800000000, 0.0004210100000000 ] - [ -0.0004751000000000, -0.0012666300000000, 0.0002578400000000 ] - [ 0.0003366300000000, 0.0004652300000000, 0.0010364100000000 ] - [ -0.0005343900000000, -0.0003966100000000, 0.0005074400000000 ] - [ -0.0004383400000000, -0.0009807200000000, -0.0014227300000000 ] - [ 0.0004631100000000, 0.0002437200000000, -0.0002181000000000 ] - [ 0.0004774700000000, -0.0011299600000000, -0.0007748500000000 ] - [ 0.0013222500000000, 0.0038744900000000, 0.0067264300000000 ] - [ 0.0021315900000000, -0.0012522900000000, 0.0008295900000000 ] - [ -0.0000576500000000, 0.0001776500000000, -0.0015169400000000 ] - [ -0.0004028900000000, 0.0005231400000000, -0.0006827500000000 ] - [ 0.0012091600000000, 0.0004332300000000, 0.0016311000000000 ] - [ 0.0009740000000000, 0.0006662400000000, -0.0000813500000000 ] - [ -0.0032478300000000, 0.0003518700000000, -0.0005022400000000 ] - [ -0.0006766500000000, 0.0017826200000000, -0.0017597800000000 ] - [ 0.0006376300000000, 0.0003486500000000, 0.0004999500000000 ] - [ 0.0010903700000000, 0.0010939600000000, 0.0003629800000000 ] - [ 0.0011399200000000, -0.0049428600000000, 0.0023620300000000 ] - [ 0.0003574700000000, -0.0003273800000000, 0.0012529200000000 ] - [ 0.0000585900000000, -0.0005304200000000, 0.0000689900000000 ] - [ 0.0020366800000000, -0.0080732700000000, -0.0051230000000000 ] - [ 0.0013000800000000, 0.0002529100000000, 0.0004210400000000 ] - [ -0.0019145000000000, 0.0011863600000000, -0.0001726100000000 ] - [ 0.0009024100000000, -0.0007114500000000, 0.0001649200000000 ] - [ 0.0026077000000000, 0.0007331200000000, -0.0000846700000000 ] - [ 0.0020534400000000, -0.0043914900000000, -0.0019114100000000 ] - [ 0.0004543100000000, 0.0004122300000000, 0.0003145500000000 ] - [ -0.0005344400000000, 0.0005132200000000, -0.0003999300000000 ] - [ -0.0008650600000000, -0.0000672200000000, -0.0018498600000000 ] - [ 0.0012916500000000, 0.0008969500000000, 0.0009925900000000 ] - [ 0.0000828600000000, 0.0002844500000000, 0.0003894800000000 ] - [ 0.0000314800000000, 0.0005502300000000, 0.0003667900000000 ] - [ 0.0056676600000000, -0.0014832100000000, -0.0075406100000000 ] - [ 0.0036324300000000, -0.0002294800000000, 0.0025215100000000 ] - [ -0.0012104000000000, 0.0000161600000000, -0.0002273100000000 ] - [ 0.0003204100000000, -0.0003489600000000, -0.0002752600000000 ] - [ 0.0037686700000000, -0.0006580500000000, 0.0004696000000000 ] - [ 0.0084919600000000, -0.0010628600000000, -0.0013535500000000 ] - [ -0.0016601500000000, -0.0000160700000000, -0.0000379600000000 ] - [ 0.0007863400000000, -0.0003294500000000, 0.0004557600000000 ] - [ 0.0024430300000000, 0.0002904900000000, 0.0021353200000000 ] - [ 0.0002918600000000, -0.0002180300000000, -0.0030876500000000 ] - [ 0.0006334400000000, 0.0001512000000000, -0.0001135700000000 ] - [ -0.0010722500000000, 0.0005102900000000, -0.0001933200000000 ] - [ -0.0003600400000000, -0.0000247400000000, -0.0021442900000000 ] - [ 0.0022294200000000, 0.0001937800000000, 0.0033116400000000 ] - [ -0.0017629500000000, -0.0020802400000000, 0.0005628100000000 ] - [ 0.0004431300000000, 0.0005469500000000, -0.0002484000000000 ] - [ 0.0059851100000000, 0.0048966600000000, 0.0039854100000000 ] - [ 0.0029212900000000, -0.0015153600000000, -0.0008805100000000 ] - [ 0.0008092800000000, 0.0004723400000000, -0.0005582900000000 ] - [ 0.0002580600000000, -0.0003080700000000, 0.0003942000000000 ] - [ -0.0037092600000000, -0.0009823000000000, -0.0002796900000000 ] - [ 0.0018097100000000, -0.0001695500000000, 0.0004678200000000 ] - [ 0.0000075800000000, 0.0047672100000000, -0.0017472200000000 ] - [ 0.0007443000000000, -0.0005297300000000, -0.0001143000000000 ] - [ -0.0002061300000000, -0.0005499300000000, 0.0008733700000000 ] - [ -0.0002414100000000, 0.0002541900000000, 0.0000087300000000 ] - [ -0.0007831800000000, 0.0000702600000000, -0.0002443600000000 ] - [ 0.0004767300000000, -0.0000070900000000, -0.0000303400000000 ] - [ 0.0009656000000000, -0.0006520900000000, -0.0002089000000000 ] - [ 0.0028969600000000, 0.0061881300000000, 0.0009415100000000 ] - [ 0.0544333600000000, -0.0057218200000000, 0.0486116100000000 ] - [ -0.0029090300000000, -0.0006770200000000, 0.0003621500000000 ] - [ -0.0030557000000000, -0.0008695600000000, 0.0011215700000000 ] - [ 0.0031895200000000, 0.0072409100000000, 0.0011110400000000 ] - [ -0.0018459000000000, -0.0005790000000000, -0.0004023700000000 ] - [ 0.0002051400000000, -0.0000462100000000, 0.0016169200000000 ] - [ 0.0054190400000000, 0.0027795200000000, 0.0041146200000000 ] - [ -0.0010956800000000, -0.0012398100000000, -0.0016936800000000 ] - [ -0.0005229600000000, 0.0024193100000000, 0.0045897100000000 ] - [ -0.0039631700000000, -0.0004639100000000, -0.0041868100000000 ] - [ 0.0000224400000000, -0.0003346100000000, -0.0005785300000000 ] - [ 0.0013170100000000, -0.0003878900000000, -0.0003917900000000 ] - [ -0.0057389600000000, 0.0000529200000000, -0.0030050500000000 ] - [ -0.0046852600000000, 0.0034251000000000, 0.0045165600000000 ] - [ 0.0029139300000000, 0.0002545200000000, 0.0008070700000000 ] - [ -0.0019247600000000, 0.0003535200000000, 0.0000076200000000 ] - [ -0.0009070400000000, 0.0008705500000000, 0.0017028800000000 ] - [ -0.0014721100000000, 0.0006184900000000, -0.0006439200000000 ] - [ 0.0000215400000000, 0.0006580600000000, -0.0014661300000000 ] - [ 0.0017107700000000, 0.0012312800000000, -0.0011355400000000 ] - [ 0.0007002700000000, -0.0042345500000000, 0.0008675100000000 ] - [ -0.0018063300000000, 0.0006760900000000, -0.0015243600000000 ] - [ 0.0000331100000000, -0.0006791200000000, -0.0011567400000000 ] - [ 0.0001083000000000, -0.0007789100000000, 0.0005974900000000 ] - [ -0.0039439500000000, 0.0003005600000000, 0.0005204900000000 ] - [ 0.0119372600000000, -0.0009977800000000, -0.0021071300000000 ] - [ 0.0007094000000000, -0.0003283200000000, 0.0008400600000000 ] - [ -0.0009387500000000, 0.0003162000000000, -0.0008434100000000 ] - [ 0.0265900000000000, 0.0062321900000000, -0.0045330900000000 ] - [ -0.0049901600000000, 0.0001329400000000, -0.0007583400000000 ] - [ -0.0001478000000000, 0.0004653300000000, -0.0012115100000000 ] - [ 0.0001887300000000, -0.0005364800000000, 0.0006737600000000 ] - [ -0.0000316400000000, 0.0016040800000000, 0.0001175700000000 ] - [ 0.0013365700000000, -0.0005508300000000, -0.0018882800000000 ] - [ -0.0010294500000000, -0.0010577300000000, 0.0025372200000000 ] - [ -0.0010908000000000, 0.0029801200000000, -0.0028916800000000 ] - [ 0.0034480700000000, -0.0043295100000000, -0.0010206900000000 ] - [ -0.0015183000000000, -0.0003963700000000, 0.0007620200000000 ] - [ -0.0047895000000000, 0.0048165900000000, 0.0000362000000000 ] - [ -0.0037997900000000, -0.0041073100000000, 0.0018267300000000 ] - [ -0.0015195400000000, 0.0005644000000000, 0.0002311900000000 ] - [ 0.0028581000000000, -0.0028305700000000, -0.0012024600000000 ] - [ 0.0023259300000000, 0.0013169900000000, 0.0032718400000000 ] - [ -0.0022890300000000, -0.0001058700000000, -0.0019890000000000 ] - [ 0.0023670300000000, -0.0016562500000000, 0.0003092200000000 ] - [ -0.0018890200000000, 0.0002071500000000, -0.0000474700000000 ] - [ -0.0034643900000000, -0.0006064400000000, -0.0069792900000000 ] - [ 0.0002357200000000, -0.0004461500000000, 0.0018966000000000 ]- atom: 9 displacement: [ -0.0099999999206514, 0.0000000000000000, -0.0000012597509720 ] forces: - [ -0.0009262300000000, 0.0011863000000000, 0.0002459300000000 ] - [ -0.0003729400000000, -0.0010217200000000, 0.0003640700000000 ] - [ 0.0076743300000000, -0.0007042000000000, -0.0034688800000000 ] - [ -0.0007935700000000, 0.0000380700000000, 0.0000695300000000 ] - [ 0.0001865700000000, -0.0006366500000000, 0.0003223500000000 ] - [ -0.0003564400000000, 0.0003738500000000, -0.0003148400000000 ] - [ 0.0004767900000000, -0.0000255300000000, -0.0007328800000000 ] - [ 0.0003097800000000, 0.0000110300000000, -0.0002195500000000 ] - [ 0.1115110900000000, 0.0005780700000000, 0.0537140200000000 ] - [ -0.0013401600000000, -0.0007784700000000, -0.0005834200000000 ] - [ -0.0011686100000000, -0.0005891400000000, -0.0004492100000000 ] - [ -0.0003910800000000, -0.0006426700000000, 0.0011895000000000 ] - [ -0.0023334200000000, 0.0004645300000000, -0.0003940100000000 ] - [ 0.0072700800000000, 0.0020751600000000, -0.0002368500000000 ] - [ 0.0008935200000000, 0.0006279500000000, 0.0006202600000000 ] - [ 0.0000071900000000, 0.0006229500000000, -0.0012365600000000 ] - [ 0.0004128600000000, 0.0002427800000000, 0.0001035300000000 ] - [ 0.0003605300000000, -0.0005307800000000, -0.0007207700000000 ] - [ -0.0009645400000000, 0.0000739100000000, 0.0008816500000000 ] - [ -0.0004059400000000, 0.0002374600000000, -0.0010931800000000 ] - [ -0.0004081900000000, -0.0009361100000000, 0.0002986100000000 ] - [ -0.0012731200000000, -0.0000725200000000, 0.0002822400000000 ] - [ -0.0112948300000000, 0.0085487700000000, -0.0215413800000000 ] - [ -0.0009144000000000, 0.0000360100000000, 0.0005018600000000 ] - [ 0.0027852300000000, -0.0050302600000000, 0.0099485300000000 ] - [ -0.0011553000000000, -0.0003233600000000, -0.0005131200000000 ] - [ -0.0005944200000000, -0.0001900500000000, 0.0005516100000000 ] - [ 0.0004654900000000, 0.0011723600000000, 0.0007108700000000 ] - [ -0.0003303300000000, -0.0003708400000000, -0.0000498600000000 ] - [ 0.0005227800000000, 0.0004829600000000, 0.0004751900000000 ] - [ 0.0004405900000000, 0.0010767900000000, 0.0004499500000000 ] - [ -0.0004567700000000, -0.0001496100000000, -0.0007554800000000 ] - [ -0.0015642700000000, 0.0013259200000000, 0.0011057900000000 ] - [ -0.0023788200000000, -0.0036460300000000, -0.0063493400000000 ] - [ -0.0026468400000000, 0.0004021200000000, -0.0014480200000000 ] - [ -0.0005074500000000, -0.0010331800000000, 0.0008900200000000 ] - [ 0.0009162700000000, 0.0003305400000000, 0.0013140300000000 ] - [ -0.0006706300000000, 0.0004128200000000, -0.0010050200000000 ] - [ -0.0014940000000000, 0.0001839900000000, -0.0005326900000000 ] - [ 0.0027167500000000, 0.0004976900000000, -0.0001265600000000 ] - [ 0.0004161100000000, -0.0008210600000000, 0.0008080700000000 ] - [ -0.0008936500000000, 0.0006392700000000, -0.0014661300000000 ] - [ -0.0008344300000000, -0.0001106200000000, 0.0006086300000000 ] - [ -0.0008772000000000, 0.0058803900000000, -0.0013944000000000 ] - [ -0.0000867100000000, -0.0006545100000000, -0.0002730300000000 ] - [ 0.0001971900000000, -0.0004579600000000, 0.0009016500000000 ] - [ -0.0022987300000000, 0.0071471500000000, 0.0041614600000000 ] - [ -0.0015535100000000, -0.0012318100000000, -0.0013908200000000 ] - [ 0.0017134700000000, -0.0019301200000000, 0.0003197100000000 ] - [ -0.0011003800000000, 0.0000025200000000, -0.0000106100000000 ] - [ -0.0024119000000000, -0.0014447700000000, -0.0000712000000000 ] - [ -0.0018599000000000, 0.0036514500000000, 0.0017290400000000 ] - [ -0.0002516600000000, 0.0002984600000000, -0.0004627100000000 ] - [ 0.0007327600000000, 0.0001937700000000, 0.0002488900000000 ] - [ 0.0006625600000000, 0.0007801000000000, 0.0020099300000000 ] - [ -0.0014784500000000, -0.0001820600000000, -0.0008357800000000 ] - [ 0.0002884600000000, 0.0003735900000000, 0.0001837000000000 ] - [ 0.0003354900000000, 0.0001103800000000, 0.0002027500000000 ] - [ -0.0061105300000000, 0.0021613300000000, 0.0070357900000000 ] - [ -0.0039689800000000, 0.0008820100000000, -0.0030740200000000 ] - [ 0.0008448200000000, -0.0006771200000000, -0.0003385700000000 ] - [ -0.0006894500000000, -0.0003122100000000, -0.0002926500000000 ] - [ -0.0034092700000000, 0.0000061300000000, 0.0000793300000000 ] - [ -0.0080209200000000, 0.0003938600000000, 0.0018945300000000 ] - [ 0.0016009800000000, -0.0004574100000000, 0.0005400600000000 ] - [ -0.0008463800000000, -0.0001377900000000, 0.0000608900000000 ] - [ -0.0023699600000000, -0.0007496700000000, -0.0026580100000000 ] - [ -0.0002503900000000, -0.0002505100000000, 0.0025516800000000 ] - [ -0.0005698700000000, 0.0003156200000000, -0.0003985700000000 ] - [ 0.0011313700000000, -0.0000441400000000, -0.0003275000000000 ] - [ 0.0002824100000000, 0.0004877800000000, 0.0026871900000000 ] - [ -0.0022790100000000, 0.0002716600000000, -0.0027788900000000 ] - [ 0.0006961500000000, 0.0018892800000000, -0.0002430700000000 ] - [ -0.0015215300000000, -0.0007300300000000, 0.0005649400000000 ] - [ -0.0049431900000000, -0.0051434400000000, -0.0043643200000000 ] - [ -0.0018398700000000, 0.0013180300000000, 0.0005499300000000 ] - [ 0.0002661200000000, -0.0002900700000000, 0.0002464700000000 ] - [ 0.0008180400000000, 0.0004885600000000, -0.0007115400000000 ] - [ 0.0042305600000000, 0.0001604300000000, 0.0008780900000000 ] - [ -0.0012820100000000, -0.0006811300000000, 0.0001518000000000 ] - [ 0.0001698400000000, -0.0045601900000000, 0.0013859400000000 ] - [ -0.0005598100000000, 0.0007904800000000, -0.0002545100000000 ] - [ 0.0000287400000000, 0.0008151300000000, -0.0005022000000000 ] - [ 0.0000560200000000, 0.0000124400000000, 0.0003628900000000 ] - [ 0.0009554000000000, -0.0003193000000000, -0.0001210300000000 ] - [ -0.0002948400000000, -0.0002607100000000, -0.0003383600000000 ] - [ -0.0011441700000000, 0.0003896600000000, 0.0005767100000000 ] - [ -0.0030652900000000, -0.0063877400000000, -0.0005734900000000 ] - [ -0.0554263700000000, 0.0040973200000000, -0.0481379700000000 ] - [ 0.0014866900000000, -0.0009728100000000, 0.0005432800000000 ] - [ 0.0015844800000000, 0.0014937900000000, 0.0002855700000000 ] - [ -0.0046168900000000, -0.0066131300000000, 0.0003345300000000 ] - [ 0.0003558700000000, -0.0000430500000000, 0.0017971400000000 ] - [ -0.0016634400000000, -0.0005660300000000, -0.0002148100000000 ] - [ -0.0039539000000000, -0.0034008600000000, -0.0055162300000000 ] - [ 0.0025564500000000, 0.0006148800000000, 0.0002835100000000 ] - [ -0.0004600000000000, -0.0030370400000000, -0.0040084500000000 ] - [ 0.0029406000000000, -0.0001331100000000, 0.0047810000000000 ] - [ 0.0009676200000000, -0.0002618600000000, -0.0000517900000000 ] - [ -0.0003235900000000, -0.0002049700000000, -0.0002282400000000 ] - [ 0.0067381400000000, 0.0005344200000000, 0.0024078800000000 ] - [ 0.0056789400000000, -0.0027872300000000, -0.0050851900000000 ] - [ -0.0039241200000000, 0.0003651500000000, -0.0001758400000000 ] - [ 0.0009339600000000, 0.0002436300000000, 0.0006138000000000 ] - [ -0.0005096700000000, 0.0007795400000000, -0.0008073400000000 ] - [ 0.0000467500000000, 0.0010277800000000, 0.0015404500000000 ] - [ 0.0013948300000000, 0.0009896800000000, 0.0005346100000000 ] - [ -0.0002803900000000, 0.0004216500000000, 0.0002079300000000 ] - [ 0.0008406100000000, 0.0049656700000000, -0.0022845400000000 ] - [ 0.0032686700000000, -0.0000611000000000, 0.0001133200000000 ] - [ 0.0013800500000000, -0.0009656600000000, 0.0002560300000000 ] - [ 0.0013193600000000, -0.0008684900000000, -0.0014911700000000 ] - [ 0.0042313500000000, 0.0001575300000000, -0.0006716300000000 ] - [ -0.0110603800000000, 0.0014559400000000, 0.0026982600000000 ] - [ -0.0009746200000000, 0.0007936400000000, -0.0007033000000000 ] - [ 0.0006602700000000, 0.0001480700000000, 0.0009868300000000 ] - [ -0.0280561300000000, -0.0072005000000000, 0.0057571000000000 ] - [ 0.0046889600000000, -0.0005916700000000, 0.0009009400000000 ] - [ 0.0004103000000000, -0.0009281900000000, 0.0010569900000000 ] - [ 0.0000953500000000, 0.0000751400000000, -0.0008229100000000 ] - [ -0.0002922100000000, 0.0002953800000000, -0.0008593000000000 ] - [ -0.0016417600000000, 0.0024301500000000, 0.0011631200000000 ] - [ 0.0013686900000000, 0.0029677100000000, -0.0018460200000000 ] - [ 0.0013992700000000, -0.0010645500000000, 0.0035919700000000 ] - [ -0.0031822000000000, 0.0023735700000000, 0.0017655700000000 ] - [ 0.0018377400000000, -0.0014946300000000, -0.0000439800000000 ] - [ 0.0044421300000000, -0.0067094400000000, -0.0007281300000000 ] - [ 0.0034807700000000, 0.0021854700000000, -0.0025115900000000 ] - [ 0.0019400700000000, -0.0002997200000000, -0.0005861400000000 ] - [ -0.0024155500000000, 0.0030876800000000, 0.0008640500000000 ] - [ -0.0026643400000000, -0.0010770200000000, -0.0029723500000000 ] - [ 0.0018573500000000, 0.0003736400000000, 0.0023341400000000 ] - [ -0.0028044800000000, 0.0014049400000000, 0.0000640400000000 ] - [ 0.0014609600000000, -0.0004695400000000, 0.0003996900000000 ] - [ 0.0038489700000000, 0.0003456400000000, 0.0065951500000000 ] - [ 0.0002127300000000, 0.0001765000000000, -0.0022565700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003970700000000, 0.0011082100000000, 0.0001012900000000 ] - [ 0.0001318600000000, 0.0013184100000000, -0.0001187500000000 ] - [ 0.0013946300000000, 0.0003684900000000, 0.0149362200000000 ] - [ 0.0001522200000000, -0.0002037600000000, -0.0000328100000000 ] - [ 0.0003687800000000, 0.0007088700000000, -0.0003858700000000 ] - [ 0.0000480300000000, 0.0004630200000000, -0.0001582700000000 ] - [ 0.0000046600000000, -0.0009227900000000, -0.0005420700000000 ] - [ -0.0002022100000000, -0.0006997800000000, -0.0003811500000000 ] - [ -0.0005381300000000, -0.0576656500000000, 0.0247054600000000 ] - [ 0.0007384000000000, -0.0008333900000000, -0.0002056700000000 ] - [ -0.0005480500000000, -0.0002373600000000, 0.0004238400000000 ] - [ -0.0006006600000000, 0.0000094500000000, 0.0004579500000000 ] - [ -0.0004237300000000, 0.0003788000000000, 0.0002861900000000 ] - [ -0.0020331900000000, -0.0011352300000000, -0.0025802300000000 ] - [ 0.0005869900000000, 0.0009934600000000, -0.0003189400000000 ] - [ 0.0005825400000000, 0.0008878300000000, -0.0003053500000000 ] - [ 0.0005761200000000, 0.0004179100000000, -0.0003152500000000 ] - [ 0.0008582800000000, 0.0005243000000000, 0.0000732100000000 ] - [ -0.0002268400000000, -0.0002079400000000, 0.0005253000000000 ] - [ -0.0008650200000000, -0.0000358600000000, -0.0002112500000000 ] - [ 0.0002421300000000, 0.0011574000000000, 0.0002144200000000 ] - [ -0.0007767900000000, 0.0002598300000000, 0.0002622000000000 ] - [ -0.0103416500000000, -0.0023361900000000, -0.0109826300000000 ] - [ 0.0008461300000000, -0.0005226800000000, -0.0002836700000000 ] - [ 0.0033960200000000, -0.0001843300000000, -0.0124581000000000 ] - [ -0.0002158400000000, -0.0003709200000000, -0.0004163100000000 ] - [ 0.0000641900000000, 0.0004244200000000, 0.0005006400000000 ] - [ -0.0013118100000000, 0.0020223500000000, 0.0006799400000000 ] - [ 0.0002792100000000, -0.0004530800000000, 0.0009164800000000 ] - [ -0.0000405700000000, -0.0000503900000000, 0.0002211000000000 ] - [ -0.0004125000000000, 0.0012742300000000, -0.0000457400000000 ] - [ 0.0000048400000000, 0.0003333900000000, -0.0004446800000000 ] - [ -0.0002783400000000, -0.0006912900000000, -0.0001270200000000 ] - [ -0.0005897600000000, -0.0004268600000000, -0.0000084900000000 ] - [ -0.0012839100000000, -0.0001911300000000, -0.0006569500000000 ] - [ 0.0015019100000000, -0.0001971100000000, -0.0006988700000000 ] - [ 0.0000404100000000, 0.0006157900000000, 0.0003179600000000 ] - [ 0.0002835900000000, 0.0002989100000000, 0.0001145500000000 ] - [ -0.0002424600000000, 0.0004820100000000, -0.0004319000000000 ] - [ -0.0002181100000000, 0.0012390100000000, 0.0012878800000000 ] - [ -0.0001412900000000, 0.0019901000000000, -0.0018513800000000 ] - [ -0.0002316500000000, 0.0007132900000000, -0.0004601100000000 ] - [ 0.0004404500000000, 0.0005040600000000, 0.0005500500000000 ] - [ -0.0025746000000000, 0.0010173100000000, -0.0020367600000000 ] - [ 0.0007356500000000, 0.0002333600000000, 0.0014037600000000 ] - [ 0.0000326300000000, -0.0002361900000000, 0.0003699900000000 ] - [ -0.0050737900000000, 0.0009440600000000, 0.0031514000000000 ] - [ 0.0002296000000000, -0.0007124000000000, -0.0002997900000000 ] - [ -0.0002244600000000, 0.0025382900000000, -0.0008065100000000 ] - [ -0.0002776300000000, -0.0002190800000000, 0.0001590500000000 ] - [ 0.0010941900000000, -0.0003507000000000, 0.0000561700000000 ] - [ -0.0038747000000000, 0.0004898000000000, 0.0011155600000000 ] - [ 0.0000069800000000, 0.0005457900000000, 0.0001440700000000 ] - [ -0.0000595100000000, 0.0006229400000000, -0.0002637400000000 ] - [ -0.0005809200000000, -0.0004160800000000, 0.0010782500000000 ] - [ -0.0001318600000000, 0.0003587900000000, -0.0000477700000000 ] - [ 0.0001761600000000, 0.0008094200000000, 0.0001518600000000 ] - [ 0.0001811000000000, 0.0007357600000000, 0.0002003700000000 ] - [ 0.0024647700000000, -0.0008091800000000, -0.0035419100000000 ] - [ 0.0002558600000000, -0.0002331100000000, -0.0001439800000000 ] - [ -0.0004812700000000, 0.0015827900000000, -0.0004037100000000 ] - [ -0.0001651900000000, -0.0000547700000000, -0.0003083600000000 ] - [ 0.0006394000000000, -0.0021853500000000, 0.0008403500000000 ] - [ 0.0005742600000000, -0.0022262700000000, 0.0000062100000000 ] - [ -0.0005174500000000, 0.0017167000000000, 0.0008390100000000 ] - [ -0.0000606500000000, 0.0000005700000000, 0.0003292600000000 ] - [ -0.0001916500000000, -0.0017296600000000, 0.0004965900000000 ] - [ -0.0004286000000000, -0.0014296600000000, 0.0000197700000000 ] - [ 0.0000008300000000, 0.0004851800000000, -0.0002067700000000 ] - [ -0.0002854100000000, 0.0012358100000000, -0.0004340400000000 ] - [ 0.0000755800000000, -0.0007596200000000, -0.0004162300000000 ] - [ -0.0007070200000000, -0.0002496900000000, 0.0000901500000000 ] - [ -0.0010333900000000, 0.0012810400000000, -0.0003137200000000 ] - [ -0.0002476800000000, 0.0002584100000000, 0.0000571100000000 ] - [ 0.0058949100000000, 0.0004765500000000, 0.0018531000000000 ] - [ -0.0000763500000000, -0.0006092100000000, -0.0003739400000000 ] - [ 0.0006917600000000, 0.0005044500000000, -0.0002265700000000 ] - [ 0.0005419200000000, 0.0004178300000000, -0.0003866400000000 ] - [ 0.0003784100000000, 0.0058889200000000, 0.0001743000000000 ] - [ 0.0004365300000000, -0.0002731400000000, 0.0002910500000000 ] - [ 0.0007338900000000, 0.0007789600000000, -0.0008281400000000 ] - [ -0.0000772900000000, 0.0000534500000000, -0.0001877800000000 ] - [ -0.0001118500000000, 0.0005056800000000, -0.0000805900000000 ] - [ 0.0000160900000000, 0.0001521700000000, 0.0001846500000000 ] - [ -0.0004034400000000, 0.0007837500000000, 0.0004230600000000 ] - [ 0.0001081000000000, -0.0000627300000000, -0.0001550600000000 ] - [ -0.0004768500000000, -0.0003644200000000, 0.0003315000000000 ] - [ 0.0036728100000000, 0.0022692300000000, 0.0017202000000000 ] - [ -0.0037214200000000, 0.0370459700000000, -0.0130919900000000 ] - [ -0.0007718100000000, -0.0003223300000000, 0.0003050200000000 ] - [ -0.0011839500000000, -0.0002110000000000, 0.0008875900000000 ] - [ 0.0044666000000000, -0.0049505200000000, 0.0018026200000000 ] - [ -0.0010161100000000, -0.0002149700000000, 0.0000276100000000 ] - [ -0.0004542100000000, -0.0004682900000000, 0.0009972800000000 ] - [ 0.0011504300000000, -0.0018828900000000, -0.0038644900000000 ] - [ 0.0005725600000000, -0.0005426900000000, -0.0007626800000000 ] - [ 0.0000361400000000, 0.0020745500000000, 0.0013806200000000 ] - [ -0.0003815900000000, -0.0001271900000000, 0.0003900800000000 ] - [ 0.0004393600000000, -0.0008841000000000, -0.0003410100000000 ] - [ 0.0006184700000000, -0.0009412000000000, 0.0000311500000000 ] - [ -0.0021703900000000, 0.0034285700000000, -0.0020784700000000 ] - [ 0.0032562000000000, 0.0035479200000000, -0.0003756000000000 ] - [ 0.0010938800000000, -0.0035558800000000, 0.0004220200000000 ] - [ -0.0005842100000000, -0.0000925800000000, 0.0002448500000000 ] - [ -0.0003613100000000, -0.0002105700000000, 0.0004293300000000 ] - [ -0.0009114400000000, 0.0001503200000000, 0.0004901800000000 ] - [ 0.0002770500000000, 0.0021720600000000, -0.0007152900000000 ] - [ 0.0012027600000000, 0.0010238900000000, 0.0008577700000000 ] - [ -0.0026666500000000, -0.0050002200000000, 0.0019489500000000 ] - [ 0.0015627300000000, 0.0003879200000000, -0.0007284800000000 ] - [ 0.0001518600000000, -0.0021723300000000, -0.0005282900000000 ] - [ 0.0013605300000000, -0.0026617100000000, -0.0008619300000000 ] - [ -0.0003996200000000, 0.0011027200000000, -0.0002845600000000 ] - [ 0.0001991300000000, 0.0108051300000000, -0.0017571900000000 ] - [ -0.0000158200000000, -0.0016209000000000, 0.0000470700000000 ] - [ -0.0001193300000000, -0.0002607900000000, 0.0001024600000000 ] - [ 0.0044978700000000, 0.0114853900000000, -0.0015542800000000 ] - [ -0.0003049400000000, 0.0004393500000000, 0.0002346800000000 ] - [ 0.0003788400000000, -0.0016606700000000, 0.0002168100000000 ] - [ 0.0000171900000000, -0.0009067400000000, 0.0000040300000000 ] - [ 0.0000237500000000, 0.0008475400000000, 0.0008033000000000 ] - [ -0.0004584400000000, 0.0010270000000000, -0.0012730700000000 ] - [ -0.0004841000000000, 0.0001794900000000, 0.0008020100000000 ] - [ 0.0010956300000000, 0.0008285900000000, 0.0016017000000000 ] - [ -0.0020221300000000, -0.0060537900000000, -0.0026816700000000 ] - [ 0.0003318700000000, -0.0011461700000000, 0.0002239900000000 ] - [ 0.0037447500000000, -0.0027082300000000, -0.0007694000000000 ] - [ -0.0024935000000000, -0.0010055600000000, -0.0000581300000000 ] - [ 0.0004158100000000, -0.0003105200000000, -0.0002419800000000 ] - [ -0.0000623100000000, -0.0036363000000000, -0.0013230100000000 ] - [ 0.0022464700000000, 0.0029970700000000, -0.0014364500000000 ] - [ -0.0001168900000000, 0.0006688500000000, 0.0001089000000000 ] - [ -0.0012511800000000, -0.0032132700000000, 0.0014616300000000 ] - [ -0.0001049300000000, -0.0005907600000000, 0.0001838100000000 ] - [ 0.0018094800000000, 0.0013449300000000, 0.0023856300000000 ] - [ -0.0003948200000000, 0.0009013800000000, 0.0001588500000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000803200000000, -0.0010284800000000, 0.0000164300000000 ] - [ -0.0004442300000000, -0.0012355600000000, 0.0002351900000000 ] - [ -0.0010860000000000, -0.0002645300000000, -0.0151371800000000 ] - [ 0.0001655300000000, 0.0002880100000000, -0.0000864000000000 ] - [ -0.0000565900000000, -0.0007914400000000, 0.0002701300000000 ] - [ 0.0002698400000000, -0.0005470800000000, 0.0000408100000000 ] - [ -0.0003221600000000, 0.0008392700000000, 0.0006658700000000 ] - [ -0.0001140500000000, 0.0006154500000000, 0.0004997100000000 ] - [ 0.0016041000000000, 0.0567458400000000, -0.0260877200000000 ] - [ 0.0004707700000000, -0.0004567900000000, -0.0003896400000000 ] - [ -0.0006610200000000, -0.0010539000000000, 0.0001711500000000 ] - [ -0.0006071500000000, -0.0013003600000000, 0.0001342700000000 ] - [ -0.0007844600000000, 0.0009117200000000, 0.0003119300000000 ] - [ 0.0008248600000000, 0.0024319900000000, 0.0031705800000000 ] - [ 0.0006208200000000, 0.0002964000000000, -0.0002764000000000 ] - [ 0.0006274600000000, 0.0004019000000000, -0.0002897200000000 ] - [ 0.0006012800000000, -0.0001370700000000, -0.0001326000000000 ] - [ 0.0003241100000000, -0.0002424400000000, -0.0005187400000000 ] - [ -0.0009536900000000, 0.0004918800000000, -0.0000740600000000 ] - [ -0.0003142200000000, 0.0003200300000000, 0.0006604400000000 ] - [ -0.0014255000000000, -0.0014409900000000, 0.0002306600000000 ] - [ -0.0003993000000000, -0.0005420200000000, 0.0001859300000000 ] - [ 0.0114918700000000, 0.0019942600000000, 0.0105330400000000 ] - [ 0.0003339000000000, 0.0002391500000000, -0.0001658500000000 ] - [ -0.0033792400000000, 0.0000280300000000, 0.0114411700000000 ] - [ 0.0002216500000000, 0.0002795700000000, -0.0005585800000000 ] - [ -0.0000688500000000, -0.0005161300000000, 0.0004738200000000 ] - [ 0.0013168600000000, -0.0021195500000000, 0.0002927000000000 ] - [ -0.0002818100000000, 0.0005478200000000, 0.0000599300000000 ] - [ 0.0000363600000000, 0.0001432900000000, 0.0007529900000000 ] - [ 0.0004144500000000, -0.0011821500000000, -0.0009269700000000 ] - [ 0.0000008700000000, -0.0002431400000000, -0.0005296300000000 ] - [ -0.0007998900000000, 0.0008738000000000, 0.0004474600000000 ] - [ -0.0004897300000000, 0.0006029300000000, 0.0003197800000000 ] - [ 0.0007636900000000, -0.0006609100000000, 0.0000365100000000 ] - [ -0.0020335700000000, -0.0006565600000000, 0.0000759400000000 ] - [ 0.0004840000000000, 0.0002348400000000, 0.0003025300000000 ] - [ 0.0002454700000000, 0.0005509600000000, 0.0005069900000000 ] - [ -0.0002842900000000, 0.0003652800000000, -0.0001864400000000 ] - [ -0.0003104600000000, -0.0003900600000000, -0.0018986000000000 ] - [ -0.0001195200000000, -0.0010134900000000, 0.0008786000000000 ] - [ -0.0000253300000000, 0.0002714300000000, -0.0005089100000000 ] - [ -0.0001815700000000, 0.0004839200000000, 0.0004211100000000 ] - [ 0.0028528000000000, -0.0000311300000000, 0.0030260200000000 ] - [ -0.0004769900000000, -0.0012184200000000, -0.0004355200000000 ] - [ 0.0002263900000000, -0.0007494100000000, 0.0006003500000000 ] - [ 0.0047716600000000, -0.0019238600000000, -0.0040998400000000 ] - [ -0.0004872400000000, -0.0002757900000000, -0.0006694800000000 ] - [ 0.0000307300000000, -0.0032395400000000, 0.0009406400000000 ] - [ 0.0000796400000000, -0.0004915700000000, -0.0000061000000000 ] - [ -0.0008970500000000, -0.0003573800000000, -0.0002110600000000 ] - [ 0.0041116100000000, -0.0012073600000000, -0.0012896800000000 ] - [ 0.0001932100000000, 0.0001647800000000, -0.0002970900000000 ] - [ 0.0002580900000000, 0.0000880400000000, 0.0001123400000000 ] - [ 0.0003786100000000, 0.0011215600000000, -0.0009203800000000 ] - [ -0.0000687900000000, 0.0003486500000000, 0.0002031400000000 ] - [ 0.0001929100000000, -0.0001507900000000, 0.0004159100000000 ] - [ 0.0001884500000000, -0.0000765800000000, 0.0003696700000000 ] - [ -0.0028325100000000, 0.0014602000000000, 0.0029718700000000 ] - [ -0.0006265200000000, 0.0008939400000000, -0.0004246800000000 ] - [ 0.0001092300000000, -0.0022412900000000, -0.0001694500000000 ] - [ -0.0002031000000000, -0.0006057300000000, -0.0002596600000000 ] - [ -0.0002684900000000, 0.0015290800000000, -0.0002751600000000 ] - [ -0.0002141700000000, 0.0015671500000000, 0.0005627100000000 ] - [ 0.0004528900000000, -0.0021842800000000, -0.0003241300000000 ] - [ -0.0000000100000000, -0.0004681800000000, 0.0001872800000000 ] - [ 0.0002570400000000, 0.0012679100000000, -0.0010157200000000 ] - [ 0.0004885000000000, 0.0009662900000000, -0.0005395100000000 ] - [ 0.0000611400000000, -0.0000185600000000, -0.0003092700000000 ] - [ 0.0003476900000000, -0.0007696600000000, -0.0000769400000000 ] - [ -0.0001402600000000, 0.0012245900000000, 0.0009348800000000 ] - [ 0.0006498700000000, 0.0007181700000000, 0.0004280600000000 ] - [ -0.0000502300000000, -0.0014723900000000, 0.0006290700000000 ] - [ -0.0008284500000000, -0.0004435500000000, 0.0002620500000000 ] - [ -0.0048556800000000, -0.0006654400000000, -0.0021859100000000 ] - [ 0.0011566400000000, 0.0004279000000000, 0.0000550400000000 ] - [ 0.0003846400000000, -0.0003193900000000, -0.0000929600000000 ] - [ 0.0005364300000000, -0.0002329700000000, 0.0000686600000000 ] - [ 0.0001443100000000, -0.0068308300000000, 0.0004450800000000 ] - [ 0.0000912200000000, -0.0005750300000000, 0.0003287300000000 ] - [ -0.0005579600000000, -0.0005021700000000, 0.0004606600000000 ] - [ 0.0002591600000000, 0.0002139000000000, -0.0001807800000000 ] - [ -0.0000688700000000, -0.0002435400000000, 0.0004503000000000 ] - [ -0.0001970100000000, 0.0001128400000000, 0.0001842900000000 ] - [ 0.0005824100000000, -0.0010444300000000, -0.0007933200000000 ] - [ 0.0000732600000000, -0.0002026700000000, -0.0002138900000000 ] - [ 0.0002964200000000, 0.0000972800000000, 0.0000364500000000 ] - [ -0.0038136700000000, -0.0025169700000000, -0.0013354000000000 ] - [ 0.0025734200000000, -0.0389844300000000, 0.0149275300000000 ] - [ -0.0006505600000000, -0.0013269600000000, 0.0005973900000000 ] - [ -0.0002877400000000, 0.0008272800000000, 0.0005185900000000 ] - [ -0.0059846300000000, 0.0055934000000000, -0.0004006100000000 ] - [ -0.0004585200000000, -0.0004082500000000, 0.0013791000000000 ] - [ -0.0010153100000000, -0.0001526100000000, 0.0004088300000000 ] - [ 0.0003274800000000, 0.0012672800000000, 0.0024508600000000 ] - [ 0.0008981700000000, -0.0000724800000000, -0.0006475600000000 ] - [ -0.0010226000000000, -0.0026658700000000, -0.0007609000000000 ] - [ -0.0006075100000000, -0.0004695900000000, 0.0002290400000000 ] - [ 0.0005523700000000, 0.0002865600000000, -0.0002819700000000 ] - [ 0.0003722600000000, 0.0003427100000000, -0.0006594600000000 ] - [ 0.0031597800000000, -0.0028445800000000, 0.0014619700000000 ] - [ -0.0022709500000000, -0.0029687600000000, -0.0002458500000000 ] - [ -0.0020712200000000, 0.0041449400000000, 0.0002113700000000 ] - [ -0.0004087700000000, 0.0006907800000000, 0.0003768700000000 ] - [ -0.0010559500000000, 0.0018595900000000, 0.0004704200000000 ] - [ -0.0005124600000000, 0.0014986800000000, 0.0004104100000000 ] - [ 0.0011448500000000, -0.0005263500000000, -0.0001917800000000 ] - [ 0.0002194300000000, 0.0006240000000000, -0.0017549700000000 ] - [ 0.0041468500000000, 0.0056591100000000, -0.0033310800000000 ] - [ -0.0000960500000000, 0.0002315400000000, -0.0006792500000000 ] - [ 0.0012725800000000, 0.0005264800000000, -0.0003740900000000 ] - [ 0.0000546600000000, 0.0010153200000000, -0.0000357700000000 ] - [ 0.0006739700000000, -0.0006401500000000, 0.0001358900000000 ] - [ 0.0000136900000000, -0.0103354200000000, 0.0015523500000000 ] - [ -0.0002576000000000, 0.0020835000000000, 0.0001043100000000 ] - [ -0.0001560700000000, 0.0007242600000000, 0.0000434700000000 ] - [ -0.0047998900000000, -0.0118652800000000, 0.0017248300000000 ] - [ 0.0000310700000000, -0.0009041700000000, -0.0000894900000000 ] - [ -0.0001041100000000, 0.0012011300000000, -0.0003622200000000 ] - [ 0.0002568400000000, 0.0004446800000000, -0.0001512400000000 ] - [ -0.0003410100000000, 0.0010538300000000, -0.0015227000000000 ] - [ 0.0001348500000000, 0.0008732900000000, 0.0005536300000000 ] - [ 0.0008058200000000, 0.0017121700000000, -0.0000895900000000 ] - [ -0.0007812600000000, 0.0010642300000000, -0.0008938500000000 ] - [ 0.0023467000000000, 0.0041472800000000, 0.0034355900000000 ] - [ -0.0000147600000000, -0.0007519200000000, 0.0004916700000000 ] - [ -0.0040672000000000, 0.0008289800000000, 0.0000734500000000 ] - [ 0.0021674000000000, -0.0008859800000000, -0.0006509400000000 ] - [ 0.0000081300000000, 0.0005777700000000, -0.0001113400000000 ] - [ 0.0004799700000000, 0.0038934900000000, 0.0009606200000000 ] - [ -0.0026508600000000, -0.0027390700000000, 0.0017804100000000 ] - [ -0.0003097400000000, -0.0004062700000000, 0.0002445000000000 ] - [ 0.0008444400000000, 0.0029532400000000, -0.0011202100000000 ] - [ -0.0003214100000000, 0.0003243300000000, 0.0001677400000000 ] - [ -0.0014032700000000, -0.0016137600000000, -0.0027588600000000 ] - [ 0.0008211900000000, -0.0011664100000000, -0.0005126300000000 ]- atom: 9 displacement: [ -0.0050436217710434, 0.0000000000000000, 0.0086349220859633 ] forces: - [ -0.0002197100000000, 0.0002137000000000, -0.0003148400000000 ] - [ -0.0000759900000000, -0.0002081100000000, -0.0005401100000000 ] - [ 0.0070557200000000, 0.0135037700000000, 0.0185757000000000 ] - [ -0.0002027700000000, 0.0000757900000000, 0.0002801500000000 ] - [ -0.0004045900000000, -0.0005524100000000, 0.0004271400000000 ] - [ 0.0004935500000000, -0.0002612300000000, -0.0001740400000000 ] - [ 0.0004214300000000, -0.0001777300000000, 0.0020382000000000 ] - [ -0.0004633500000000, 0.0011671100000000, 0.0027000600000000 ] - [ 0.0114877200000000, 0.0216974200000000, -0.2297585000000000 ] - [ -0.0001356500000000, -0.0006335300000000, -0.0005511300000000 ] - [ -0.0002448900000000, -0.0007265600000000, -0.0000012900000000 ] - [ -0.0012665800000000, -0.0007827000000000, 0.0001540000000000 ] - [ -0.0008790800000000, 0.0005429800000000, 0.0014619400000000 ] - [ 0.0038780100000000, -0.0011270200000000, 0.0154604500000000 ] - [ -0.0000387700000000, 0.0006551300000000, 0.0008573300000000 ] - [ 0.0011143800000000, 0.0006400500000000, -0.0000179700000000 ] - [ -0.0001610500000000, -0.0000092400000000, 0.0005081300000000 ] - [ 0.0011263200000000, 0.0005139400000000, -0.0003709100000000 ] - [ -0.0013398000000000, 0.0003791000000000, 0.0029391000000000 ] - [ 0.0015691200000000, -0.0007833400000000, 0.0022241700000000 ] - [ -0.0000153600000000, -0.0001900400000000, -0.0008965000000000 ] - [ -0.0009597200000000, -0.0001592300000000, 0.0000404900000000 ] - [ 0.0121149400000000, -0.0030661300000000, -0.0002011100000000 ] - [ -0.0003383600000000, 0.0000205500000000, -0.0001069600000000 ] - [ -0.0066775200000000, -0.0152778600000000, 0.0222741400000000 ] - [ -0.0000463200000000, 0.0000670000000000, -0.0003215800000000 ] - [ -0.0000072700000000, -0.0003222800000000, 0.0003494100000000 ] - [ 0.0005358500000000, 0.0001094700000000, -0.0004301600000000 ] - [ 0.0008788900000000, 0.0005697500000000, 0.0015947200000000 ] - [ -0.0013510000000000, -0.0011920400000000, 0.0029780800000000 ] - [ -0.0007077100000000, 0.0018087700000000, 0.0005264900000000 ] - [ 0.0002170300000000, -0.0000582900000000, -0.0005966900000000 ] - [ -0.0024347600000000, 0.0015221600000000, 0.0017135700000000 ] - [ 0.0008226500000000, 0.0010901000000000, 0.0016872300000000 ] - [ 0.0005346700000000, -0.0007800300000000, -0.0009743400000000 ] - [ -0.0043817600000000, -0.0017490900000000, -0.0001952800000000 ] - [ -0.0012899600000000, 0.0009727600000000, 0.0020785600000000 ] - [ 0.0013308400000000, 0.0002939300000000, 0.0006770400000000 ] - [ -0.0002540100000000, 0.0003651100000000, 0.0001698200000000 ] - [ 0.0009714700000000, 0.0022931000000000, 0.0006406500000000 ] - [ -0.0002387700000000, -0.0033622900000000, 0.0019744600000000 ] - [ 0.0002572000000000, 0.0006517700000000, 0.0000926900000000 ] - [ -0.0006678000000000, 0.0000011900000000, 0.0003860500000000 ] - [ 0.0017264900000000, -0.0016243000000000, -0.0012186600000000 ] - [ 0.0010431600000000, 0.0000199000000000, 0.0009418500000000 ] - [ -0.0002015900000000, -0.0007950000000000, 0.0011175200000000 ] - [ -0.0059723000000000, 0.0087426700000000, 0.0009085000000000 ] - [ -0.0004122700000000, -0.0004738300000000, -0.0010776500000000 ] - [ 0.0009785100000000, -0.0043360700000000, -0.0016673600000000 ] - [ -0.0002333200000000, -0.0002890600000000, 0.0001209600000000 ] - [ -0.0004985700000000, -0.0007500000000000, -0.0004025500000000 ] - [ -0.0022334800000000, 0.0028271700000000, -0.0018143200000000 ] - [ 0.0001836300000000, 0.0005746700000000, 0.0003261700000000 ] - [ -0.0000020300000000, -0.0001187600000000, 0.0005680000000000 ] - [ -0.0010925700000000, 0.0005555700000000, 0.0024457000000000 ] - [ 0.0007687300000000, 0.0006509300000000, 0.0002064400000000 ] - [ 0.0003354800000000, 0.0000277000000000, 0.0007761300000000 ] - [ 0.0000813300000000, 0.0003797300000000, 0.0007770700000000 ] - [ -0.0077880000000000, 0.0024376600000000, 0.0085735900000000 ] - [ 0.0020550200000000, 0.0000170000000000, 0.0002562000000000 ] - [ 0.0003178800000000, -0.0005020400000000, -0.0004843200000000 ] - [ -0.0004058900000000, -0.0004188500000000, -0.0001069600000000 ] - [ -0.0020547600000000, 0.0001713400000000, -0.0025081700000000 ] - [ -0.0019611000000000, -0.0004504900000000, -0.0030274400000000 ] - [ 0.0007175500000000, -0.0008065500000000, -0.0015188600000000 ] - [ -0.0002442500000000, -0.0002731900000000, 0.0001926200000000 ] - [ 0.0012589400000000, 0.0007896700000000, -0.0014370500000000 ] - [ -0.0024301800000000, -0.0002887100000000, 0.0001177800000000 ] - [ -0.0001107400000000, 0.0003084300000000, 0.0001399100000000 ] - [ 0.0003645900000000, 0.0000916000000000, -0.0004512200000000 ] - [ -0.0019464500000000, -0.0002856500000000, 0.0044290300000000 ] - [ 0.0012624700000000, 0.0004370800000000, 0.0011435400000000 ] - [ 0.0005734000000000, -0.0005282800000000, -0.0005676300000000 ] - [ -0.0011592400000000, -0.0004292600000000, 0.0002491500000000 ] - [ -0.0003010600000000, -0.0030037800000000, -0.0069911400000000 ] - [ -0.0008216000000000, 0.0001624400000000, -0.0005285100000000 ] - [ 0.0000896900000000, -0.0002493500000000, 0.0008314600000000 ] - [ 0.0008064000000000, -0.0002252200000000, 0.0000689700000000 ] - [ 0.0013259300000000, -0.0016284100000000, -0.0027083100000000 ] - [ -0.0002536300000000, -0.0005882400000000, 0.0002127700000000 ] - [ -0.0008118200000000, -0.0056750400000000, 0.0012390300000000 ] - [ 0.0003642500000000, 0.0000824400000000, -0.0003895800000000 ] - [ 0.0002348500000000, -0.0002480700000000, 0.0004164600000000 ] - [ -0.0006520600000000, 0.0002302700000000, 0.0008761700000000 ] - [ -0.0004482300000000, 0.0017611800000000, 0.0002015300000000 ] - [ 0.0000335200000000, -0.0002487700000000, -0.0000855200000000 ] - [ -0.0005108400000000, 0.0003572100000000, 0.0001137600000000 ] - [ 0.0003317400000000, 0.0003023200000000, -0.0019993100000000 ] - [ 0.0088301500000000, -0.0131228800000000, 0.1439305000000000 ] - [ 0.0002678600000000, -0.0011265700000000, 0.0004238900000000 ] - [ 0.0000542700000000, 0.0010514300000000, 0.0008953400000000 ] - [ -0.0030095100000000, -0.0010272200000000, 0.0063298000000000 ] - [ -0.0024149800000000, -0.0010912200000000, -0.0001430300000000 ] - [ 0.0010463700000000, 0.0009514300000000, -0.0007557200000000 ] - [ 0.0000918300000000, -0.0046449200000000, -0.0054241400000000 ] - [ 0.0004289800000000, -0.0002243100000000, -0.0003683700000000 ] - [ 0.0017512800000000, -0.0029027400000000, -0.0058498700000000 ] - [ -0.0025394400000000, -0.0006199300000000, -0.0009301600000000 ] - [ 0.0007273400000000, -0.0002525100000000, -0.0010732900000000 ] - [ 0.0000798600000000, 0.0001488300000000, -0.0005819300000000 ] - [ 0.0012831000000000, -0.0000860600000000, 0.0032354400000000 ] - [ 0.0050297400000000, -0.0001502400000000, 0.0005824500000000 ] - [ -0.0029951300000000, 0.0022971000000000, 0.0024059200000000 ] - [ 0.0000745800000000, 0.0004307600000000, 0.0003061100000000 ] - [ 0.0006531200000000, 0.0005752700000000, -0.0012459600000000 ] - [ -0.0013960400000000, 0.0007697200000000, 0.0002770200000000 ] - [ 0.0007502700000000, 0.0003921700000000, -0.0031672500000000 ] - [ -0.0014237400000000, 0.0015286000000000, -0.0087868100000000 ] - [ 0.0077905000000000, 0.0157952400000000, -0.0011797000000000 ] - [ 0.0002427300000000, 0.0002409300000000, -0.0010623400000000 ] - [ 0.0003962600000000, -0.0007209700000000, 0.0000994000000000 ] - [ 0.0010918900000000, -0.0007453400000000, 0.0002527400000000 ] - [ 0.0034197000000000, 0.0000317500000000, -0.0004255600000000 ] - [ -0.0070745800000000, -0.0015166400000000, 0.0133552200000000 ] - [ 0.0005476000000000, 0.0007081800000000, -0.0012206000000000 ] - [ -0.0005291900000000, 0.0002893800000000, -0.0002894600000000 ] - [ -0.0185321500000000, -0.0061864400000000, 0.0191248000000000 ] - [ 0.0001578100000000, -0.0003923400000000, 0.0012611700000000 ] - [ -0.0009513800000000, -0.0000200100000000, -0.0001900300000000 ] - [ 0.0011707400000000, 0.0001113600000000, -0.0010690600000000 ] - [ -0.0002366500000000, 0.0014057600000000, -0.0037949200000000 ] - [ -0.0008562000000000, -0.0005320800000000, -0.0019817400000000 ] - [ 0.0030316300000000, 0.0028787500000000, -0.0027595700000000 ] - [ -0.0013052900000000, 0.0021144900000000, 0.0000899800000000 ] - [ -0.0044144000000000, -0.0063759100000000, 0.0056679000000000 ] - [ 0.0009788900000000, -0.0010926900000000, -0.0000912700000000 ] - [ -0.0005986300000000, -0.0013484000000000, 0.0061029200000000 ] - [ 0.0017536200000000, -0.0000370400000000, 0.0014108700000000 ] - [ 0.0009460900000000, -0.0001789700000000, -0.0004306300000000 ] - [ -0.0009704100000000, -0.0002986800000000, 0.0021156900000000 ] - [ 0.0073742300000000, -0.0034962800000000, -0.0077594300000000 ] - [ -0.0012105700000000, 0.0001124000000000, -0.0006820700000000 ] - [ -0.0010547800000000, 0.0020463500000000, 0.0016811700000000 ] - [ -0.0001626900000000, -0.0000384300000000, 0.0002773200000000 ] - [ -0.0042162200000000, 0.0001540100000000, -0.0028124200000000 ] - [ 0.0036067000000000, -0.0002306800000000, -0.0033743900000000 ]- atom: 9 displacement: [ 0.0050436217710434, 0.0000000000000000, -0.0086349220859633 ] forces: - [ -0.0000952100000000, -0.0001328800000000, 0.0004290600000000 ] - [ -0.0002430400000000, 0.0002872300000000, 0.0006621500000000 ] - [ -0.0068689800000000, -0.0135485000000000, -0.0188207800000000 ] - [ 0.0005199800000000, 0.0000076600000000, -0.0003982400000000 ] - [ 0.0007211500000000, 0.0004591400000000, -0.0005461500000000 ] - [ -0.0001794500000000, 0.0001787100000000, 0.0000547200000000 ] - [ -0.0007508900000000, 0.0000944100000000, -0.0019131800000000 ] - [ 0.0001551100000000, -0.0012390200000000, -0.0025706400000000 ] - [ -0.0057313200000000, -0.0232693200000000, 0.2350229900000000 ] - [ 0.0013359700000000, -0.0006573100000000, -0.0000480000000000 ] - [ -0.0009633300000000, -0.0005652900000000, 0.0005943300000000 ] - [ 0.0000582300000000, -0.0005064600000000, 0.0004491800000000 ] - [ -0.0003393700000000, 0.0007471000000000, -0.0008666400000000 ] - [ -0.0050087100000000, 0.0023975600000000, -0.0146739300000000 ] - [ 0.0012488200000000, 0.0006353300000000, -0.0014496500000000 ] - [ 0.0000940500000000, 0.0006491100000000, -0.0005802900000000 ] - [ 0.0013376400000000, 0.0002919500000000, -0.0009577500000000 ] - [ 0.0000541000000000, -0.0002343200000000, -0.0000811100000000 ] - [ 0.0001492400000000, -0.0000953900000000, -0.0024851800000000 ] - [ -0.0027264500000000, 0.0010602400000000, -0.0017685800000000 ] - [ -0.0011629000000000, -0.0000950400000000, 0.0013416100000000 ] - [ -0.0002240200000000, -0.0001238800000000, 0.0004097000000000 ] - [ -0.0108478500000000, 0.0027443900000000, -0.0000886200000000 ] - [ 0.0015160400000000, -0.0003025800000000, -0.0003357700000000 ] - [ 0.0067461000000000, 0.0153986600000000, -0.0236182700000000 ] - [ 0.0000530000000000, -0.0001565700000000, -0.0006547400000000 ] - [ 0.0000034100000000, 0.0002275600000000, 0.0006218100000000 ] - [ -0.0005439300000000, -0.0001939600000000, 0.0014080700000000 ] - [ -0.0008888100000000, -0.0004762200000000, -0.0006192700000000 ] - [ 0.0013461900000000, 0.0012770800000000, -0.0019895800000000 ] - [ 0.0007159500000000, -0.0017118100000000, -0.0014996100000000 ] - [ -0.0002153100000000, 0.0001491200000000, -0.0003783200000000 ] - [ 0.0013414200000000, -0.0013237400000000, -0.0013900200000000 ] - [ -0.0019059500000000, -0.0009277600000000, -0.0014025000000000 ] - [ -0.0010511100000000, -0.0000727300000000, 0.0003494500000000 ] - [ 0.0038700800000000, 0.0009076100000000, -0.0004129400000000 ] - [ 0.0018180100000000, -0.0001275600000000, -0.0014511600000000 ] - [ -0.0008061300000000, 0.0005550900000000, -0.0000613300000000 ] - [ -0.0002808300000000, 0.0004824900000000, -0.0007913900000000 ] - [ -0.0014815900000000, -0.0014414900000000, -0.0012672000000000 ] - [ -0.0000204800000000, 0.0043757300000000, -0.0029512900000000 ] - [ -0.0005134200000000, 0.0003333700000000, -0.0010643000000000 ] - [ 0.0009172700000000, 0.0009799000000000, 0.0005767900000000 ] - [ -0.0014796600000000, 0.0026380700000000, 0.0021659600000000 ] - [ -0.0007854000000000, -0.0010078700000000, 0.0000282200000000 ] - [ 0.0004628900000000, -0.0001952500000000, -0.0001412700000000 ] - [ 0.0056812500000000, -0.0096381900000000, -0.0018913200000000 ] - [ 0.0001475500000000, -0.0005150100000000, 0.0001063900000000 ] - [ -0.0011844600000000, 0.0036303400000000, 0.0018404600000000 ] - [ 0.0000347600000000, -0.0004208100000000, 0.0000302200000000 ] - [ 0.0006998900000000, 0.0000387000000000, 0.0002427300000000 ] - [ 0.0024187200000000, -0.0035399800000000, 0.0016806000000000 ] - [ 0.0000129300000000, 0.0001358200000000, -0.0004798600000000 ] - [ 0.0002096400000000, 0.0008203000000000, -0.0007200400000000 ] - [ 0.0008990000000000, 0.0001662500000000, -0.0022900800000000 ] - [ -0.0009748300000000, 0.0000545400000000, -0.0000512200000000 ] - [ 0.0000292000000000, 0.0006318000000000, -0.0002067700000000 ] - [ 0.0002914600000000, 0.0002780100000000, -0.0002097100000000 ] - [ 0.0073489800000000, -0.0017555300000000, -0.0090540200000000 ] - [ -0.0024339800000000, 0.0006429600000000, -0.0008286100000000 ] - [ -0.0006883700000000, -0.0001611300000000, -0.0000800800000000 ] - [ 0.0000371900000000, -0.0002419200000000, -0.0004610500000000 ] - [ 0.0024049800000000, -0.0008220400000000, 0.0030399500000000 ] - [ 0.0023102700000000, -0.0002085500000000, 0.0036125900000000 ] - [ -0.0007736800000000, 0.0003361000000000, 0.0020320700000000 ] - [ 0.0001801800000000, -0.0001935700000000, 0.0003226700000000 ] - [ -0.0011875100000000, -0.0012455700000000, 0.0009113100000000 ] - [ 0.0024950800000000, -0.0001843500000000, -0.0006180600000000 ] - [ 0.0001686900000000, 0.0001580200000000, -0.0006580900000000 ] - [ -0.0002954300000000, 0.0003723500000000, -0.0000705500000000 ] - [ 0.0018888500000000, 0.0007531900000000, -0.0038991300000000 ] - [ -0.0013155600000000, 0.0000363200000000, -0.0006293800000000 ] - [ -0.0016489800000000, 0.0003322100000000, 0.0008864700000000 ] - [ 0.0000809800000000, 0.0002428400000000, 0.0000739200000000 ] - [ 0.0014069700000000, 0.0028079500000000, 0.0066193300000000 ] - [ 0.0018896400000000, -0.0003427900000000, 0.0002133600000000 ] - [ 0.0009814200000000, 0.0004288000000000, -0.0011481700000000 ] - [ 0.0002753000000000, 0.0004099800000000, -0.0003913300000000 ] - [ -0.0007773100000000, 0.0008150900000000, 0.0033200600000000 ] - [ 0.0007753200000000, -0.0002619400000000, 0.0004046300000000 ] - [ 0.0009940600000000, 0.0058654200000000, -0.0015914600000000 ] - [ -0.0001865600000000, 0.0001858900000000, 0.0000206700000000 ] - [ -0.0004195000000000, 0.0005088800000000, -0.0000439700000000 ] - [ 0.0004744200000000, 0.0000383700000000, -0.0005076600000000 ] - [ 0.0006286100000000, -0.0020276300000000, -0.0005658800000000 ] - [ 0.0001478200000000, -0.0000175300000000, -0.0002841100000000 ] - [ 0.0003293900000000, -0.0006183500000000, 0.0002517200000000 ] - [ -0.0005435900000000, -0.0006024300000000, 0.0023631700000000 ] - [ -0.0131649900000000, 0.0123138700000000, -0.1497264600000000 ] - [ -0.0016866400000000, -0.0005231000000000, 0.0004804300000000 ] - [ -0.0015185000000000, -0.0004273000000000, 0.0005219900000000 ] - [ 0.0015551900000000, 0.0015874700000000, -0.0049242500000000 ] - [ 0.0009491800000000, 0.0004718300000000, 0.0015508600000000 ] - [ -0.0025212400000000, -0.0015572700000000, 0.0021532500000000 ] - [ 0.0013544400000000, 0.0040069500000000, 0.0040103700000000 ] - [ 0.0010540700000000, -0.0003887000000000, -0.0010399800000000 ] - [ -0.0027342100000000, 0.0022710000000000, 0.0064448700000000 ] - [ 0.0015602300000000, 0.0000209400000000, 0.0015574300000000 ] - [ 0.0002716100000000, -0.0003430100000000, 0.0004521000000000 ] - [ 0.0009005500000000, -0.0007396500000000, -0.0000368100000000 ] - [ -0.0002988500000000, 0.0006880000000000, -0.0038252000000000 ] - [ -0.0040213000000000, 0.0007498600000000, -0.0012375200000000 ] - [ 0.0020069500000000, -0.0016892100000000, -0.0017873600000000 ] - [ -0.0010640600000000, 0.0001672500000000, 0.0003160800000000 ] - [ -0.0020726000000000, 0.0010752600000000, 0.0021443800000000 ] - [ -0.0000224300000000, 0.0008803600000000, 0.0006273500000000 ] - [ 0.0006856800000000, 0.0012515400000000, 0.0022617400000000 ] - [ 0.0028173600000000, 0.0001191700000000, 0.0078467500000000 ] - [ -0.0063405700000000, -0.0152453300000000, -0.0002647100000000 ] - [ 0.0012217000000000, 0.0003758000000000, -0.0003424700000000 ] - [ 0.0010233700000000, -0.0009240900000000, -0.0009970400000000 ] - [ 0.0003348200000000, -0.0009046700000000, -0.0011650800000000 ] - [ -0.0031130300000000, 0.0004256500000000, 0.0002856900000000 ] - [ 0.0074473100000000, 0.0019904700000000, -0.0133778600000000 ] - [ -0.0008199300000000, -0.0002480600000000, 0.0013586200000000 ] - [ 0.0002530900000000, 0.0001757000000000, 0.0004382000000000 ] - [ 0.0165875500000000, 0.0051442700000000, -0.0180223900000000 ] - [ -0.0004122500000000, -0.0000719700000000, -0.0011137300000000 ] - [ 0.0012275800000000, -0.0004365000000000, 0.0000398500000000 ] - [ -0.0008992600000000, -0.0005748700000000, 0.0009158200000000 ] - [ -0.0000646200000000, 0.0004860400000000, 0.0030806700000000 ] - [ 0.0005214400000000, 0.0024279300000000, 0.0012743100000000 ] - [ -0.0026881200000000, -0.0009574800000000, 0.0034556000000000 ] - [ 0.0016261500000000, -0.0002237800000000, 0.0006433400000000 ] - [ 0.0047168300000000, 0.0044731700000000, -0.0049725300000000 ] - [ -0.0006568000000000, -0.0008046000000000, 0.0008013300000000 ] - [ 0.0002480700000000, -0.0005337800000000, -0.0067680300000000 ] - [ -0.0020572500000000, -0.0018506200000000, -0.0021494400000000 ] - [ -0.0005162800000000, 0.0004432300000000, 0.0000811700000000 ] - [ 0.0013848800000000, 0.0005853500000000, -0.0024591500000000 ] - [ -0.0077982500000000, 0.0037865300000000, 0.0081055000000000 ] - [ 0.0007788900000000, 0.0001488100000000, 0.0010365600000000 ] - [ 0.0006046500000000, -0.0022923900000000, -0.0013073700000000 ] - [ -0.0002527800000000, -0.0002284400000000, 0.0000754900000000 ] - [ 0.0046205600000000, -0.0004293600000000, 0.0024225300000000 ] - [ -0.0031914600000000, -0.0000376400000000, 0.0030070100000000 ]- atom: 17 displacement: [ 0.0099999999206514, 0.0000000000000000, 0.0000012597509720 ] forces: - [ -0.0047423000000000, -0.0003379100000000, 0.0000095700000000 ] - [ 0.0008917500000000, -0.0002592000000000, 0.0002661400000000 ] - [ -0.0001970500000000, 0.0003164000000000, -0.0004611200000000 ] - [ 0.0004748900000000, 0.0002541300000000, 0.0003046200000000 ] - [ 0.0066044200000000, 0.0182379300000000, -0.0043579600000000 ] - [ 0.0017693100000000, -0.0004586800000000, -0.0004964600000000 ] - [ 0.0014014800000000, 0.0071402600000000, -0.0008464700000000 ] - [ 0.0004174600000000, -0.0004092200000000, 0.0004091000000000 ] - [ 0.0007802300000000, -0.0006581000000000, -0.0010637100000000 ] - [ 0.0008366500000000, -0.0003781900000000, 0.0004579100000000 ] - [ -0.0002315200000000, -0.0010082600000000, -0.0003420700000000 ] - [ -0.0007891700000000, -0.0003695500000000, 0.0026775600000000 ] - [ -0.0007771400000000, 0.0014770500000000, 0.0008577800000000 ] - [ 0.0000768400000000, 0.0004552000000000, 0.0002696600000000 ] - [ 0.0125037000000000, 0.0116279600000000, 0.0200207500000000 ] - [ 0.0021081100000000, 0.0003901000000000, -0.0004923700000000 ] - [ -0.2888991300000000, -0.1229233000000000, -0.0280955100000000 ] - [ 0.0028540900000000, 0.0005185900000000, 0.0000418400000000 ] - [ -0.0027642900000000, 0.0015413100000000, 0.0004886000000000 ] - [ 0.0004505000000000, -0.0000092300000000, 0.0004376700000000 ] - [ -0.0020346200000000, -0.0004313100000000, -0.0016966900000000 ] - [ 0.0010121500000000, -0.0000998100000000, 0.0019876400000000 ] - [ 0.0001176100000000, 0.0000077300000000, -0.0012542700000000 ] - [ 0.0011377600000000, -0.0002066400000000, 0.0004982200000000 ] - [ -0.0002810900000000, 0.0000965800000000, -0.0009859500000000 ] - [ 0.0002477100000000, 0.0002461800000000, -0.0001419600000000 ] - [ -0.0016282600000000, -0.0011066000000000, 0.0008822000000000 ] - [ 0.0006645300000000, 0.0001095000000000, 0.0005441800000000 ] - [ 0.0005295300000000, 0.0009978300000000, 0.0001193200000000 ] - [ 0.0003878000000000, 0.0007449600000000, 0.0006749800000000 ] - [ 0.0291485700000000, -0.0031749400000000, -0.0097688200000000 ] - [ 0.0027754100000000, -0.0009607600000000, -0.0009164900000000 ] - [ -0.0070084900000000, 0.0043304200000000, 0.0006811100000000 ] - [ 0.0011628000000000, -0.0003195400000000, 0.0003463000000000 ] - [ -0.0001294400000000, -0.0005010200000000, -0.0008057700000000 ] - [ -0.0007985400000000, -0.0004590000000000, 0.0001637700000000 ] - [ -0.0005403000000000, 0.0019216800000000, 0.0009832300000000 ] - [ 0.0013172500000000, 0.0002776200000000, 0.0002594800000000 ] - [ 0.0101568300000000, 0.0057000400000000, 0.0024811200000000 ] - [ 0.0048217600000000, -0.0019865500000000, -0.0001234600000000 ] - [ -0.0043468600000000, -0.0008518100000000, -0.0040451900000000 ] - [ 0.0007426400000000, 0.0004099700000000, 0.0008376200000000 ] - [ -0.0012809000000000, 0.0007918500000000, -0.0004102900000000 ] - [ 0.0008023600000000, 0.0006925100000000, 0.0008117600000000 ] - [ 0.0000697000000000, -0.0011016600000000, -0.0009746900000000 ] - [ 0.0012217900000000, 0.0005665500000000, 0.0021414200000000 ] - [ -0.0007634800000000, -0.0037345200000000, -0.0034858100000000 ] - [ 0.0022250200000000, 0.0007275800000000, 0.0015289300000000 ] - [ 0.0001454500000000, -0.0008606600000000, -0.0010970200000000 ] - [ -0.0000164000000000, 0.0001904900000000, 0.0021037700000000 ] - [ -0.0002404000000000, -0.0006209200000000, -0.0000870400000000 ] - [ 0.0005194400000000, -0.0000200400000000, -0.0001125700000000 ] - [ 0.0012632300000000, -0.0016498200000000, -0.0015014600000000 ] - [ 0.0014679200000000, 0.0013775200000000, 0.0007252000000000 ] - [ -0.0014379300000000, -0.0046895100000000, 0.0011788200000000 ] - [ 0.0024460300000000, 0.0017233000000000, -0.0005025600000000 ] - [ 0.0067248400000000, -0.0054636900000000, -0.0083526400000000 ] - [ 0.0022595300000000, 0.0004300200000000, 0.0009932700000000 ] - [ -0.0020974400000000, 0.0010460500000000, -0.0003406000000000 ] - [ 0.0007631900000000, 0.0005890300000000, -0.0001746900000000 ] - [ -0.0013504800000000, -0.0006036600000000, -0.0012655400000000 ] - [ 0.0008630200000000, -0.0006486300000000, 0.0014887900000000 ] - [ -0.0007905900000000, -0.0001128200000000, 0.0001374400000000 ] - [ 0.0007986600000000, -0.0001651100000000, 0.0005436700000000 ] - [ 0.0011753000000000, -0.0009167700000000, -0.0026105700000000 ] - [ 0.0047537100000000, -0.0014308600000000, 0.0039000000000000 ] - [ 0.0001821900000000, 0.0001339500000000, -0.0008343300000000 ] - [ -0.0000101900000000, -0.0002010600000000, 0.0002413400000000 ] - [ 0.0097325700000000, -0.0104515000000000, 0.0036719700000000 ] - [ 0.0024280200000000, 0.0006601600000000, -0.0000078000000000 ] - [ -0.0015820900000000, -0.0001013500000000, 0.0005044000000000 ] - [ 0.0008959400000000, 0.0006208600000000, 0.0002174600000000 ] - [ -0.0014408900000000, -0.0001643900000000, -0.0013033700000000 ] - [ 0.0009249600000000, -0.0006340400000000, 0.0025808600000000 ] - [ -0.0000409000000000, 0.0001062000000000, -0.0009087600000000 ] - [ 0.0010278500000000, -0.0000038200000000, 0.0004246800000000 ] - [ -0.0047808700000000, -0.0027990700000000, -0.0014429500000000 ] - [ 0.0023442200000000, 0.0005221500000000, 0.0002337000000000 ] - [ 0.0011844400000000, 0.0004482800000000, -0.0009162800000000 ] - [ 0.0000276800000000, -0.0012673700000000, 0.0015534800000000 ] - [ 0.0004438300000000, 0.0025381400000000, -0.0007912100000000 ] - [ 0.0006673300000000, -0.0003704200000000, -0.0002035400000000 ] - [ 0.0023091900000000, 0.0000123700000000, -0.0019052500000000 ] - [ 0.0006978100000000, -0.0008748200000000, 0.0008912600000000 ] - [ -0.0003299200000000, 0.0001926500000000, -0.0002207600000000 ] - [ 0.0003264800000000, -0.0000255300000000, -0.0000461200000000 ] - [ -0.0020836300000000, 0.0022241600000000, 0.0015168300000000 ] - [ 0.0005918400000000, -0.0004489800000000, -0.0001237200000000 ] - [ -0.0002617700000000, -0.0011462200000000, 0.0016454300000000 ] - [ -0.0013960600000000, -0.0010250600000000, -0.0005149100000000 ] - [ 0.0005803400000000, 0.0015576500000000, 0.0006733500000000 ] - [ -0.0018821800000000, -0.0002803500000000, 0.0007342700000000 ] - [ -0.0020884800000000, 0.0002318000000000, 0.0020726800000000 ] - [ -0.0013891100000000, -0.0028065900000000, -0.0007642600000000 ] - [ -0.0059137400000000, 0.0168928800000000, 0.0019277300000000 ] - [ -0.0069733800000000, -0.0013868100000000, -0.0014452000000000 ] - [ 0.0064830800000000, 0.0020490900000000, 0.0006480700000000 ] - [ -0.0031227000000000, -0.0011618200000000, 0.0000898100000000 ] - [ -0.0001116200000000, 0.0111200500000000, 0.0048342900000000 ] - [ -0.0028480000000000, -0.0011596900000000, -0.0014674500000000 ] - [ 0.0013195200000000, -0.0000046300000000, 0.0003974700000000 ] - [ -0.0002018900000000, 0.0001003500000000, -0.0009754500000000 ] - [ 0.0001831800000000, 0.0011999800000000, 0.0034567900000000 ] - [ -0.0023190800000000, 0.0000443200000000, -0.0045565100000000 ] - [ 0.1978135500000000, 0.0882682400000000, 0.0189604500000000 ] - [ -0.0041421900000000, 0.0011573100000000, 0.0010246700000000 ] - [ 0.0022150800000000, -0.0023047500000000, -0.0015995000000000 ] - [ -0.0006408600000000, 0.0009983100000000, -0.0006731400000000 ] - [ 0.0018455400000000, 0.0000050600000000, 0.0008729800000000 ] - [ 0.0006534000000000, 0.0000013200000000, -0.0023192100000000 ] - [ 0.0031678100000000, -0.0000999200000000, 0.0002499400000000 ] - [ -0.0011664400000000, -0.0011065500000000, -0.0019825000000000 ] - [ 0.0018426700000000, -0.0024933000000000, -0.0009328000000000 ] - [ -0.0013899900000000, 0.0006165800000000, 0.0001467600000000 ] - [ 0.0105327500000000, 0.0000162300000000, -0.0020639100000000 ] - [ -0.0020289300000000, 0.0004189400000000, -0.0007430200000000 ] - [ 0.0002954100000000, -0.0000040900000000, 0.0013834700000000 ] - [ -0.0011470700000000, -0.0010027900000000, -0.0009314500000000 ] - [ -0.0020937700000000, 0.0008737700000000, 0.0039512900000000 ] - [ -0.0055947800000000, 0.0008568600000000, -0.0073724600000000 ] - [ 0.0149202800000000, 0.0003694800000000, -0.0008130500000000 ] - [ -0.0035389300000000, 0.0016889700000000, -0.0021044800000000 ] - [ 0.0059635000000000, -0.0044834900000000, -0.0012809300000000 ] - [ -0.0018834400000000, 0.0009804500000000, 0.0003521800000000 ] - [ 0.0009348700000000, -0.0011378900000000, 0.0022766800000000 ] - [ -0.0009092700000000, -0.0010762000000000, -0.0017151200000000 ] - [ 0.0025476600000000, -0.0009116500000000, 0.0020504600000000 ] - [ -0.0016378700000000, -0.0005760300000000, -0.0018824300000000 ] - [ 0.0148073600000000, 0.0017565300000000, 0.0037553600000000 ] - [ -0.0034107200000000, 0.0003212000000000, 0.0009752700000000 ] - [ 0.0014767200000000, -0.0006210300000000, 0.0001591900000000 ] - [ -0.0012295200000000, -0.0001315600000000, -0.0000279800000000 ] - [ -0.0053793400000000, -0.0044413700000000, 0.0071358400000000 ] - [ -0.0047063700000000, 0.0021816900000000, -0.0022283900000000 ] - [ -0.0017350500000000, -0.0013027700000000, 0.0021846200000000 ] - [ 0.0002987300000000, 0.0008328500000000, -0.0021405200000000 ]- atom: 17 displacement: [ -0.0099999999206514, 0.0000000000000000, -0.0000012597509720 ] forces: - [ 0.0044238900000000, 0.0004176600000000, 0.0001278400000000 ] - [ -0.0012062700000000, 0.0003440000000000, -0.0001511900000000 ] - [ 0.0005157300000000, -0.0002343800000000, 0.0003415000000000 ] - [ -0.0001581300000000, -0.0001709800000000, -0.0004226000000000 ] - [ -0.0063659200000000, -0.0182346000000000, 0.0042363400000000 ] - [ -0.0014525300000000, 0.0003783200000000, 0.0003780000000000 ] - [ -0.0017315600000000, -0.0072761100000000, 0.0009648700000000 ] - [ -0.0007354200000000, 0.0003229100000000, -0.0002893700000000 ] - [ 0.0004277300000000, -0.0006330200000000, 0.0004658500000000 ] - [ 0.0003764900000000, -0.0009125500000000, -0.0010524700000000 ] - [ -0.0009783100000000, -0.0002813700000000, 0.0009457500000000 ] - [ -0.0004243500000000, -0.0009205600000000, -0.0020841600000000 ] - [ -0.0004235500000000, -0.0001905000000000, -0.0002640600000000 ] - [ -0.0012867800000000, 0.0008326800000000, 0.0003256300000000 ] - [ -0.0112537600000000, -0.0102088900000000, -0.0204503100000000 ] - [ -0.0009003000000000, 0.0009023900000000, -0.0001018700000000 ] - [ 0.2793877600000000, 0.1164422500000000, 0.0261896700000000 ] - [ -0.0016739700000000, -0.0002347500000000, -0.0004898300000000 ] - [ 0.0015931000000000, -0.0012676200000000, -0.0000444300000000 ] - [ -0.0016304700000000, 0.0002911000000000, 0.0000114600000000 ] - [ 0.0008512600000000, 0.0001478500000000, 0.0021462500000000 ] - [ -0.0021893300000000, -0.0001838700000000, -0.0015407700000000 ] - [ 0.0010625000000000, -0.0002908500000000, 0.0008069800000000 ] - [ 0.0000419000000000, -0.0000764200000000, -0.0009482500000000 ] - [ 0.0002875100000000, -0.0001845900000000, 0.0000081100000000 ] - [ -0.0002433400000000, -0.0003387600000000, -0.0008320900000000 ] - [ 0.0016263500000000, 0.0010117700000000, 0.0000987700000000 ] - [ -0.0006680600000000, -0.0002003100000000, 0.0004289100000000 ] - [ -0.0005342300000000, -0.0009137700000000, 0.0008549000000000 ] - [ -0.0003953500000000, -0.0006550300000000, 0.0003003300000000 ] - [ -0.0286247500000000, 0.0032767400000000, 0.0086083300000000 ] - [ -0.0027782400000000, 0.0010616400000000, -0.0000588300000000 ] - [ 0.0059626800000000, -0.0040659100000000, -0.0003654500000000 ] - [ -0.0022408000000000, 0.0005017700000000, -0.0000270500000000 ] - [ -0.0003989300000000, -0.0003469200000000, 0.0001890200000000 ] - [ 0.0002669100000000, -0.0003883200000000, -0.0007879100000000 ] - [ 0.0010611200000000, -0.0010741700000000, -0.0003686600000000 ] - [ -0.0007883500000000, 0.0005700300000000, 0.0003601600000000 ] - [ -0.0108127400000000, -0.0049289300000000, -0.0031549600000000 ] - [ -0.0053205400000000, 0.0028182600000000, -0.0004945900000000 ] - [ 0.0041061600000000, 0.0018632000000000, 0.0030409500000000 ] - [ -0.0010002000000000, 0.0005767500000000, -0.0018050200000000 ] - [ 0.0015430200000000, 0.0001935400000000, 0.0013851100000000 ] - [ -0.0005439200000000, 0.0002935500000000, 0.0001567700000000 ] - [ 0.0001904600000000, 0.0001182300000000, 0.0019457200000000 ] - [ -0.0009630400000000, -0.0015501700000000, -0.0011716300000000 ] - [ 0.0004976400000000, 0.0027296600000000, 0.0025041700000000 ] - [ -0.0024967100000000, -0.0017207400000000, -0.0025125000000000 ] - [ -0.0003433600000000, 0.0001485400000000, 0.0012405000000000 ] - [ -0.0001844500000000, -0.0008998000000000, -0.0019490400000000 ] - [ 0.0004398900000000, -0.0000902300000000, -0.0000645600000000 ] - [ -0.0003198000000000, -0.0006892500000000, -0.0000437300000000 ] - [ -0.0010525100000000, 0.0023582900000000, 0.0013459500000000 ] - [ -0.0012754800000000, -0.0006665100000000, -0.0008806900000000 ] - [ 0.0012258100000000, 0.0053743400000000, -0.0010167000000000 ] - [ -0.0026560700000000, -0.0010197900000000, 0.0006603800000000 ] - [ -0.0064118700000000, 0.0061815600000000, 0.0090164100000000 ] - [ -0.0018905400000000, 0.0002325300000000, -0.0004222200000000 ] - [ 0.0017190800000000, -0.0003880700000000, -0.0002256500000000 ] - [ -0.0011317200000000, 0.0000676800000000, -0.0003951300000000 ] - [ 0.0009859700000000, -0.0000551800000000, 0.0006935400000000 ] - [ -0.0012324100000000, -0.0000111600000000, -0.0020540200000000 ] - [ 0.0011558000000000, -0.0005463900000000, 0.0004332900000000 ] - [ -0.0004304300000000, -0.0004960800000000, 0.0000222300000000 ] - [ -0.0012319100000000, 0.0004536400000000, 0.0031150300000000 ] - [ -0.0047778500000000, 0.0009497500000000, -0.0033601100000000 ] - [ -0.0001209600000000, -0.0006026700000000, 0.0003211100000000 ] - [ 0.0000702700000000, -0.0002664900000000, -0.0007601200000000 ] - [ -0.0097329400000000, 0.0110331900000000, -0.0042580500000000 ] - [ -0.0023618900000000, -0.0001857600000000, -0.0005085100000000 ] - [ 0.0015127000000000, 0.0005683500000000, 0.0000087900000000 ] - [ -0.0009590400000000, -0.0001566700000000, 0.0003009100000000 ] - [ 0.0003629000000000, -0.0000206000000000, 0.0016241200000000 ] - [ -0.0020002700000000, 0.0004510000000000, -0.0022587800000000 ] - [ 0.0011182400000000, -0.0002911600000000, 0.0005898500000000 ] - [ 0.0000503200000000, -0.0001814400000000, -0.0007459100000000 ] - [ 0.0058942100000000, 0.0029310500000000, 0.0011052100000000 ] - [ -0.0012670400000000, -0.0003362000000000, -0.0005523800000000 ] - [ -0.0006578700000000, -0.0012969600000000, 0.0015343800000000 ] - [ 0.0005037200000000, 0.0004194700000000, -0.0009352800000000 ] - [ -0.0002690100000000, -0.0022761000000000, 0.0004272800000000 ] - [ -0.0004856600000000, 0.0006360000000000, -0.0001656000000000 ] - [ -0.0024987900000000, 0.0002573400000000, 0.0022786700000000 ] - [ -0.0008792800000000, 0.0011398200000000, -0.0005204300000000 ] - [ 0.0005117800000000, -0.0004617000000000, -0.0001537300000000 ] - [ -0.0001456000000000, -0.0002404700000000, -0.0003220800000000 ] - [ 0.0019113300000000, -0.0024800500000000, -0.0011368000000000 ] - [ -0.0007714600000000, 0.0001819800000000, 0.0004900900000000 ] - [ -0.0011623900000000, -0.0005012100000000, -0.0007409700000000 ] - [ -0.0000256400000000, -0.0006226000000000, 0.0014152300000000 ] - [ -0.0020591200000000, -0.0009370200000000, 0.0007294800000000 ] - [ 0.0004114100000000, 0.0008969400000000, 0.0006760000000000 ] - [ 0.0006120100000000, -0.0008462600000000, -0.0006616900000000 ] - [ -0.0000759000000000, 0.0021867800000000, 0.0021748600000000 ] - [ 0.0073728800000000, -0.0174047300000000, -0.0033307800000000 ] - [ 0.0084792200000000, 0.0007646600000000, 0.0000397600000000 ] - [ -0.0074295600000000, -0.0026561700000000, -0.0000183000000000 ] - [ 0.0021363600000000, 0.0005711800000000, 0.0005307800000000 ] - [ 0.0010330800000000, -0.0117504700000000, -0.0054591200000000 ] - [ 0.0038414300000000, 0.0005537700000000, 0.0008391500000000 ] - [ -0.0003268100000000, 0.0006022500000000, -0.0010244400000000 ] - [ 0.0011938300000000, 0.0004978200000000, 0.0003563300000000 ] - [ -0.0011770900000000, -0.0006003800000000, -0.0028239900000000 ] - [ 0.0013316500000000, 0.0005471900000000, 0.0051644200000000 ] - [ -0.1882703800000000, -0.0797208200000000, -0.0165469500000000 ] - [ 0.0027234200000000, 0.0004859100000000, -0.0001251500000000 ] - [ -0.0008112400000000, 0.0039672800000000, 0.0007051200000000 ] - [ 0.0020648300000000, 0.0006537400000000, -0.0002308500000000 ] - [ -0.0003654100000000, 0.0006037700000000, -0.0022650500000000 ] - [ 0.0008189700000000, 0.0006169600000000, 0.0009071200000000 ] - [ -0.0017431300000000, -0.0015424700000000, -0.0011645800000000 ] - [ 0.0025860500000000, -0.0005437000000000, 0.0010842400000000 ] - [ -0.0015820700000000, 0.0029488800000000, 0.0007748600000000 ] - [ 0.0016653000000000, -0.0001491000000000, -0.0002915800000000 ] - [ -0.0107956800000000, 0.0004751300000000, 0.0022891700000000 ] - [ 0.0017550600000000, 0.0000424400000000, 0.0008855800000000 ] - [ -0.0005634300000000, -0.0004508900000000, -0.0012386000000000 ] - [ 0.0008702600000000, 0.0005455800000000, 0.0010811200000000 ] - [ 0.0023715900000000, -0.0013440900000000, -0.0041068700000000 ] - [ 0.0058693800000000, -0.0013215100000000, 0.0072217300000000 ] - [ -0.0156787900000000, 0.0010610900000000, 0.0005042600000000 ] - [ 0.0032151500000000, 0.0002089100000000, 0.0013788000000000 ] - [ -0.0056345900000000, 0.0064124600000000, 0.0019876000000000 ] - [ 0.0022016700000000, 0.0009155200000000, 0.0003615800000000 ] - [ -0.0006178200000000, -0.0007584700000000, -0.0015605600000000 ] - [ 0.0012274700000000, -0.0008194000000000, 0.0024288300000000 ] - [ -0.0028517700000000, -0.0009888700000000, -0.0027707100000000 ] - [ 0.0013211500000000, -0.0013223300000000, 0.0011756400000000 ] - [ -0.0145841800000000, -0.0014855200000000, -0.0045387800000000 ] - [ 0.0038244200000000, -0.0000581000000000, -0.0013206000000000 ] - [ -0.0018994900000000, 0.0008919900000000, 0.0002002300000000 ] - [ 0.0008062300000000, 0.0003994100000000, 0.0003784500000000 ] - [ 0.0049711100000000, 0.0041367200000000, -0.0067784400000000 ] - [ 0.0042780900000000, -0.0024453500000000, 0.0025888500000000 ] - [ 0.0021657100000000, 0.0010428800000000, -0.0025476700000000 ] - [ 0.0001305800000000, -0.0010957900000000, 0.0017849000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007883300000000, -0.0018294400000000, -0.0000156900000000 ] - [ -0.0000293600000000, -0.0004845400000000, 0.0002357300000000 ] - [ 0.0001286600000000, 0.0008418800000000, -0.0002206100000000 ] - [ 0.0002541200000000, 0.0005187900000000, 0.0001169800000000 ] - [ 0.0201594500000000, 0.0184836900000000, -0.0059476300000000 ] - [ 0.0000666600000000, -0.0003949400000000, 0.0001011500000000 ] - [ 0.0016642000000000, 0.0056664700000000, -0.0009656600000000 ] - [ -0.0003471100000000, 0.0001432300000000, 0.0000800900000000 ] - [ 0.0005029600000000, -0.0003665700000000, -0.0005309100000000 ] - [ 0.0012763500000000, -0.0002613500000000, 0.0005260100000000 ] - [ -0.0006728600000000, -0.0009964600000000, -0.0000139300000000 ] - [ -0.0005040600000000, -0.0008233300000000, 0.0014195000000000 ] - [ 0.0001854100000000, 0.0019425100000000, 0.0007033700000000 ] - [ -0.0006730300000000, 0.0010473100000000, 0.0002367100000000 ] - [ 0.0092376800000000, -0.0015644800000000, 0.0080978200000000 ] - [ 0.0007790300000000, 0.0002650200000000, -0.0003818900000000 ] - [ -0.1202636700000000, -0.1272619500000000, -0.0012994300000000 ] - [ 0.0009642200000000, -0.0001346200000000, -0.0001945400000000 ] - [ -0.0019937500000000, 0.0037302100000000, 0.0002387500000000 ] - [ -0.0004396500000000, 0.0004184700000000, 0.0002700600000000 ] - [ -0.0008813300000000, -0.0003930200000000, -0.0010472500000000 ] - [ -0.0005467300000000, -0.0002119400000000, 0.0001096800000000 ] - [ 0.0004397800000000, 0.0000993900000000, -0.0005746200000000 ] - [ 0.0006542100000000, -0.0001379500000000, -0.0001258000000000 ] - [ 0.0000295100000000, 0.0004982400000000, -0.0011043400000000 ] - [ 0.0001144900000000, -0.0000007400000000, -0.0003208900000000 ] - [ -0.0003213600000000, -0.0002329100000000, -0.0004923000000000 ] - [ 0.0001479600000000, -0.0000606900000000, 0.0005867800000000 ] - [ 0.0006400800000000, 0.0019664100000000, 0.0002852600000000 ] - [ 0.0003531000000000, 0.0011086100000000, 0.0004676100000000 ] - [ -0.0016755600000000, -0.0079395800000000, 0.0000107100000000 ] - [ 0.0011570900000000, -0.0014842800000000, -0.0006648800000000 ] - [ -0.0015161300000000, 0.0186596700000000, 0.0009713600000000 ] - [ -0.0000887500000000, 0.0000449300000000, 0.0002136200000000 ] - [ 0.0001795200000000, -0.0006892500000000, -0.0003926700000000 ] - [ -0.0009299600000000, -0.0004170400000000, -0.0007509700000000 ] - [ 0.0006444400000000, 0.0018104100000000, 0.0014879800000000 ] - [ 0.0001962500000000, 0.0008506900000000, 0.0004488300000000 ] - [ 0.0063352200000000, 0.0010010200000000, 0.0029549700000000 ] - [ -0.0004787700000000, -0.0003053100000000, -0.0002092300000000 ] - [ -0.0018790600000000, -0.0015889800000000, -0.0056948000000000 ] - [ 0.0000939600000000, 0.0001188700000000, -0.0002638700000000 ] - [ -0.0006449700000000, 0.0025879900000000, -0.0004535200000000 ] - [ 0.0003447900000000, 0.0008814700000000, 0.0006127800000000 ] - [ -0.0001401100000000, -0.0003246300000000, 0.0006087100000000 ] - [ 0.0005979500000000, -0.0000794000000000, 0.0011677800000000 ] - [ -0.0008330600000000, -0.0007000100000000, -0.0000778900000000 ] - [ 0.0010680700000000, -0.0000470700000000, 0.0004801200000000 ] - [ 0.0002986400000000, -0.0010156400000000, -0.0012170800000000 ] - [ 0.0002241200000000, -0.0007535300000000, 0.0003111500000000 ] - [ 0.0003606000000000, 0.0003042100000000, -0.0004597500000000 ] - [ 0.0004260900000000, 0.0000752400000000, -0.0001751300000000 ] - [ -0.0016509200000000, 0.0012068500000000, 0.0006292300000000 ] - [ 0.0013984300000000, 0.0008212200000000, 0.0006557700000000 ] - [ -0.0028651100000000, 0.0002867900000000, 0.0006185200000000 ] - [ 0.0012462400000000, 0.0008216500000000, -0.0000558000000000 ] - [ -0.0026561600000000, -0.0037237600000000, 0.0022823600000000 ] - [ 0.0009718200000000, -0.0001097600000000, 0.0003743700000000 ] - [ -0.0021022500000000, 0.0039967000000000, 0.0006703400000000 ] - [ 0.0001800400000000, 0.0007668900000000, -0.0002181900000000 ] - [ -0.0005941700000000, -0.0010291300000000, 0.0000230300000000 ] - [ 0.0002204700000000, -0.0005724900000000, 0.0001229000000000 ] - [ -0.0004452200000000, 0.0004643200000000, 0.0009067900000000 ] - [ 0.0003535900000000, -0.0000615700000000, 0.0003998100000000 ] - [ 0.0005205200000000, -0.0015767200000000, -0.0005856500000000 ] - [ 0.0013633400000000, -0.0008612300000000, 0.0008186800000000 ] - [ 0.0002621500000000, 0.0003530000000000, -0.0004970300000000 ] - [ -0.0000062500000000, 0.0002581800000000, -0.0004189800000000 ] - [ -0.0082181000000000, 0.0019604700000000, -0.0039945500000000 ] - [ 0.0010685200000000, -0.0003725700000000, -0.0000259800000000 ] - [ -0.0013182200000000, 0.0018049900000000, -0.0016155800000000 ] - [ 0.0004815400000000, 0.0006166500000000, 0.0002295000000000 ] - [ -0.0007566100000000, -0.0008242400000000, -0.0000745100000000 ] - [ -0.0002874900000000, -0.0007258900000000, 0.0009334000000000 ] - [ 0.0002706800000000, 0.0006316700000000, -0.0002902600000000 ] - [ 0.0005645000000000, 0.0003398800000000, 0.0000553900000000 ] - [ -0.0035866500000000, 0.0069207900000000, 0.0034730800000000 ] - [ 0.0011935900000000, 0.0002061200000000, -0.0000255400000000 ] - [ 0.0010337700000000, 0.0003057300000000, -0.0003112300000000 ] - [ 0.0000703200000000, -0.0000797400000000, 0.0000132600000000 ] - [ 0.0011367800000000, 0.0032146800000000, -0.0011685000000000 ] - [ 0.0000632600000000, 0.0006522400000000, -0.0002063300000000 ] - [ 0.0025001500000000, -0.0010540000000000, -0.0017890900000000 ] - [ -0.0000214700000000, -0.0007276200000000, 0.0001056500000000 ] - [ 0.0000426800000000, 0.0005307700000000, 0.0004482100000000 ] - [ 0.0001765400000000, 0.0000479600000000, -0.0002003800000000 ] - [ 0.0000539100000000, 0.0002791900000000, 0.0023804200000000 ] - [ -0.0000050300000000, -0.0003006900000000, 0.0001194800000000 ] - [ -0.0007337000000000, -0.0016864700000000, 0.0009942100000000 ] - [ -0.0008824400000000, -0.0011953200000000, -0.0003497100000000 ] - [ -0.0003521600000000, -0.0009357500000000, 0.0016996700000000 ] - [ -0.0015129800000000, -0.0002020000000000, 0.0006518300000000 ] - [ -0.0002706500000000, -0.0020814100000000, 0.0000622800000000 ] - [ -0.0017631000000000, -0.0020911100000000, -0.0003874900000000 ] - [ 0.0033514500000000, 0.0025804800000000, -0.0020681700000000 ] - [ -0.0036414400000000, 0.0002562700000000, -0.0012520700000000 ] - [ 0.0072538700000000, -0.0061221900000000, 0.0024534800000000 ] - [ -0.0015639900000000, -0.0009414700000000, 0.0001957300000000 ] - [ 0.0097474900000000, -0.0000925500000000, -0.0028686700000000 ] - [ -0.0010620000000000, 0.0001371300000000, -0.0005752400000000 ] - [ 0.0005657400000000, -0.0010064500000000, -0.0003035500000000 ] - [ 0.0002945400000000, -0.0002830800000000, -0.0003239400000000 ] - [ -0.0007474600000000, 0.0017791000000000, 0.0012276800000000 ] - [ -0.0009392300000000, 0.0008229600000000, -0.0005395500000000 ] - [ 0.0887928200000000, 0.0805113500000000, 0.0083775600000000 ] - [ -0.0013764300000000, 0.0017216600000000, 0.0007032000000000 ] - [ 0.0004159600000000, -0.0036253400000000, -0.0005594000000000 ] - [ 0.0004908700000000, 0.0000588500000000, -0.0002666700000000 ] - [ 0.0017857600000000, -0.0005389700000000, 0.0019369800000000 ] - [ 0.0002248300000000, 0.0007270300000000, -0.0011000600000000 ] - [ 0.0010572300000000, 0.0006955400000000, 0.0007335800000000 ] - [ 0.0006039200000000, -0.0004026500000000, -0.0012391800000000 ] - [ -0.0008862300000000, -0.0047580700000000, -0.0039275700000000 ] - [ -0.0000250700000000, -0.0001046100000000, -0.0000571000000000 ] - [ 0.0020000500000000, 0.0027107700000000, -0.0069012400000000 ] - [ -0.0005730800000000, 0.0005415800000000, -0.0000196600000000 ] - [ 0.0004506000000000, -0.0023954400000000, 0.0000023200000000 ] - [ -0.0009374300000000, -0.0014025400000000, -0.0004344100000000 ] - [ 0.0002009300000000, 0.0017046700000000, 0.0002297000000000 ] - [ -0.0021323500000000, 0.0010250000000000, -0.0026078300000000 ] - [ 0.0020367300000000, 0.0100562100000000, -0.0006668800000000 ] - [ -0.0003760700000000, 0.0017674200000000, -0.0002103600000000 ] - [ 0.0018611500000000, -0.0095247600000000, -0.0002489300000000 ] - [ -0.0000810800000000, 0.0003112600000000, 0.0003797500000000 ] - [ 0.0003263700000000, -0.0018002100000000, 0.0007181500000000 ] - [ -0.0000751000000000, -0.0015716600000000, 0.0000972200000000 ] - [ 0.0007838300000000, -0.0001424000000000, -0.0015103300000000 ] - [ -0.0003938200000000, -0.0003564100000000, -0.0007108600000000 ] - [ -0.0003798400000000, 0.0107538600000000, -0.0024703800000000 ] - [ -0.0003078400000000, 0.0010951600000000, -0.0000032000000000 ] - [ 0.0000464900000000, -0.0024687900000000, 0.0003619600000000 ] - [ -0.0005264900000000, -0.0005413100000000, 0.0001634700000000 ] - [ -0.0063062400000000, 0.0011626300000000, 0.0046948500000000 ] - [ 0.0012830600000000, 0.0002840700000000, 0.0013149000000000 ] - [ -0.0016112900000000, -0.0011810100000000, 0.0012336800000000 ] - [ 0.0013476300000000, -0.0002834700000000, 0.0004393600000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004619700000000, 0.0019071300000000, 0.0001578100000000 ] - [ -0.0002869900000000, 0.0005697500000000, -0.0001185400000000 ] - [ 0.0001876300000000, -0.0007586000000000, 0.0001054300000000 ] - [ 0.0000620100000000, -0.0004363700000000, -0.0002364400000000 ] - [ -0.0195333500000000, -0.0183176000000000, 0.0057036600000000 ] - [ 0.0002490100000000, 0.0003112200000000, -0.0002205600000000 ] - [ -0.0019896100000000, -0.0057716100000000, 0.0010871100000000 ] - [ 0.0000311200000000, -0.0002232400000000, 0.0000372700000000 ] - [ 0.0007073400000000, -0.0009217900000000, -0.0000626500000000 ] - [ -0.0000734700000000, -0.0010283300000000, -0.0011288300000000 ] - [ -0.0005373100000000, -0.0002968500000000, 0.0006147900000000 ] - [ -0.0007013900000000, -0.0004676300000000, -0.0008307000000000 ] - [ -0.0014038300000000, -0.0006561100000000, -0.0001149000000000 ] - [ -0.0005331900000000, 0.0002452500000000, 0.0003592800000000 ] - [ -0.0080233100000000, 0.0027658400000000, -0.0087134500000000 ] - [ 0.0004266200000000, 0.0010266400000000, -0.0002134600000000 ] - [ 0.1189758300000000, 0.1275044800000000, 0.0000872100000000 ] - [ 0.0002111400000000, 0.0004165800000000, -0.0002547600000000 ] - [ 0.0008150400000000, -0.0034537500000000, 0.0002170300000000 ] - [ -0.0007400800000000, -0.0001361100000000, 0.0001783900000000 ] - [ -0.0003026400000000, 0.0001046500000000, 0.0014947600000000 ] - [ -0.0006309100000000, -0.0000738200000000, 0.0003379200000000 ] - [ 0.0007383500000000, -0.0003796300000000, 0.0001300600000000 ] - [ 0.0005241200000000, -0.0001420100000000, -0.0003241800000000 ] - [ -0.0000234400000000, -0.0005881800000000, 0.0001316000000000 ] - [ -0.0001098800000000, -0.0000877400000000, -0.0006554700000000 ] - [ 0.0003166500000000, 0.0001284900000000, 0.0014668700000000 ] - [ -0.0001511200000000, -0.0000348400000000, 0.0003876500000000 ] - [ -0.0006516700000000, -0.0018807200000000, 0.0006925700000000 ] - [ -0.0003557800000000, -0.0010167200000000, 0.0005080400000000 ] - [ 0.0015329300000000, 0.0080375900000000, -0.0009544600000000 ] - [ -0.0011570000000000, 0.0015832300000000, -0.0003119300000000 ] - [ 0.0004179000000000, -0.0187800900000000, -0.0006640800000000 ] - [ -0.0009944800000000, 0.0001428700000000, 0.0001053400000000 ] - [ -0.0007118500000000, -0.0001552200000000, -0.0002222100000000 ] - [ 0.0004057100000000, -0.0004293000000000, 0.0001323900000000 ] - [ -0.0001076100000000, -0.0009670300000000, -0.0008615900000000 ] - [ 0.0003281300000000, -0.0000032000000000, 0.0001704200000000 ] - [ -0.0069059100000000, -0.0001480600000000, -0.0036143900000000 ] - [ -0.0000707200000000, 0.0011691500000000, -0.0004118000000000 ] - [ 0.0016337600000000, 0.0026011100000000, 0.0047388100000000 ] - [ -0.0003554700000000, 0.0008690800000000, -0.0007061700000000 ] - [ 0.0009002700000000, -0.0016062700000000, 0.0014155600000000 ] - [ -0.0000859800000000, 0.0001042900000000, 0.0003575000000000 ] - [ 0.0003975900000000, -0.0006645500000000, 0.0003629900000000 ] - [ -0.0003399700000000, -0.0009139900000000, -0.0001977900000000 ] - [ 0.0005765400000000, -0.0002670800000000, -0.0008861400000000 ] - [ -0.0013322400000000, -0.0009388900000000, -0.0014568500000000 ] - [ -0.0004994500000000, 0.0003091100000000, 0.0013756600000000 ] - [ -0.0004255300000000, 0.0000510100000000, -0.0001478100000000 ] - [ -0.0001624200000000, -0.0010163300000000, 0.0003034500000000 ] - [ -0.0002260100000000, -0.0007856600000000, 0.0000214400000000 ] - [ 0.0018456800000000, -0.0005031400000000, -0.0007880300000000 ] - [ -0.0011963100000000, -0.0001174300000000, -0.0008079900000000 ] - [ 0.0026886800000000, 0.0004413200000000, -0.0004718000000000 ] - [ -0.0014523500000000, -0.0001131300000000, 0.0002089100000000 ] - [ 0.0030456100000000, 0.0043732300000000, -0.0017250500000000 ] - [ -0.0006083100000000, 0.0007669300000000, 0.0001942900000000 ] - [ 0.0017545000000000, -0.0033430900000000, -0.0012479000000000 ] - [ -0.0005513900000000, -0.0001079800000000, -0.0003510700000000 ] - [ 0.0002272200000000, 0.0003695700000000, -0.0005918800000000 ] - [ -0.0005913000000000, -0.0000896000000000, -0.0006886800000000 ] - [ 0.0008181400000000, -0.0011210900000000, -0.0003426800000000 ] - [ 0.0000140500000000, -0.0005967200000000, 0.0001687400000000 ] - [ -0.0005844100000000, 0.0011039900000000, 0.0011075100000000 ] - [ -0.0013829000000000, 0.0003774100000000, -0.0002858300000000 ] - [ -0.0002028400000000, -0.0008213700000000, -0.0000184700000000 ] - [ 0.0000707500000000, -0.0007247500000000, -0.0000947100000000 ] - [ 0.0082144200000000, -0.0014965200000000, 0.0034368200000000 ] - [ -0.0010089600000000, 0.0008332600000000, -0.0004876000000000 ] - [ 0.0012694800000000, -0.0013381800000000, 0.0021413300000000 ] - [ -0.0005471600000000, -0.0001501000000000, 0.0002857600000000 ] - [ -0.0003229200000000, 0.0006411100000000, 0.0003991900000000 ] - [ -0.0007871600000000, 0.0005460600000000, -0.0006145700000000 ] - [ 0.0008078700000000, -0.0008174200000000, -0.0000303300000000 ] - [ 0.0005136400000000, -0.0005265600000000, -0.0003765300000000 ] - [ 0.0046256000000000, -0.0066261900000000, -0.0037388900000000 ] - [ -0.0001185400000000, -0.0000240000000000, -0.0002938000000000 ] - [ -0.0005034600000000, -0.0011538600000000, 0.0009302500000000 ] - [ 0.0004551400000000, -0.0007732000000000, 0.0006039800000000 ] - [ -0.0009482300000000, -0.0029412900000000, 0.0007935100000000 ] - [ 0.0001169400000000, -0.0003886900000000, -0.0001633200000000 ] - [ -0.0027104800000000, 0.0013307500000000, 0.0021797100000000 ] - [ -0.0001603100000000, 0.0009993600000000, 0.0002616700000000 ] - [ 0.0001392800000000, -0.0008002300000000, -0.0008133600000000 ] - [ 0.0000034400000000, -0.0003161000000000, -0.0001684000000000 ] - [ -0.0002385300000000, -0.0005335100000000, -0.0020251200000000 ] - [ -0.0001773200000000, 0.0000367200000000, 0.0002501500000000 ] - [ -0.0006877500000000, 0.0000369600000000, -0.0000966000000000 ] - [ -0.0005383700000000, -0.0004550400000000, 0.0012582900000000 ] - [ -0.0011164700000000, 0.0015659400000000, -0.0002834000000000 ] - [ 0.0000375400000000, 0.0008242700000000, 0.0007544400000000 ] - [ -0.0011953000000000, 0.0014701100000000, 0.0013433600000000 ] - [ 0.0002836500000000, 0.0014846900000000, 0.0017908400000000 ] - [ -0.0018606800000000, -0.0032988700000000, 0.0006597200000000 ] - [ 0.0051254400000000, -0.0008790800000000, -0.0001495800000000 ] - [ -0.0083053100000000, 0.0055242500000000, -0.0018432500000000 ] - [ 0.0005806500000000, 0.0003454200000000, 0.0004276400000000 ] - [ -0.0087187100000000, -0.0004708600000000, 0.0022575000000000 ] - [ 0.0020574500000000, -0.0007254400000000, -0.0000476900000000 ] - [ 0.0004264200000000, 0.0016061900000000, -0.0003175700000000 ] - [ 0.0006963400000000, 0.0008815200000000, -0.0003004500000000 ] - [ -0.0002425300000000, -0.0011843300000000, -0.0006120800000000 ] - [ -0.0000524100000000, -0.0002295500000000, 0.0011436300000000 ] - [ -0.0873676400000000, -0.0785152400000000, -0.0071077200000000 ] - [ -0.0000396000000000, -0.0000733700000000, 0.0001989600000000 ] - [ 0.0010227000000000, 0.0052888100000000, -0.0003463700000000 ] - [ 0.0009297500000000, 0.0015881800000000, -0.0006369000000000 ] - [ -0.0003177100000000, 0.0011550900000000, -0.0033537700000000 ] - [ 0.0012538000000000, -0.0001178100000000, -0.0003124100000000 ] - [ 0.0003685400000000, -0.0023226900000000, -0.0016436400000000 ] - [ 0.0008152800000000, -0.0012446000000000, 0.0003406500000000 ] - [ 0.0011663800000000, 0.0052288400000000, 0.0038136600000000 ] - [ 0.0003005500000000, 0.0005641000000000, -0.0000922100000000 ] - [ -0.0023004200000000, -0.0022195700000000, 0.0070555000000000 ] - [ 0.0003043100000000, -0.0000757300000000, 0.0001645500000000 ] - [ -0.0007331900000000, 0.0019231000000000, 0.0001499900000000 ] - [ 0.0006708700000000, 0.0009424600000000, 0.0005872700000000 ] - [ 0.0000748200000000, -0.0021779200000000, -0.0003821800000000 ] - [ 0.0024238900000000, -0.0014926800000000, 0.0024813700000000 ] - [ -0.0027861300000000, -0.0084553400000000, 0.0002982600000000 ] - [ 0.0000657500000000, 0.0001232500000000, -0.0004989500000000 ] - [ -0.0015483500000000, 0.0114061000000000, 0.0009650200000000 ] - [ 0.0004029000000000, 0.0015886400000000, 0.0003350200000000 ] - [ -0.0000067300000000, -0.0000909200000000, -0.0000061600000000 ] - [ 0.0003949200000000, -0.0003172600000000, 0.0006193700000000 ] - [ -0.0011017100000000, -0.0017701100000000, 0.0007848900000000 ] - [ 0.0000740400000000, -0.0015470100000000, -0.0000014300000000 ] - [ 0.0008066600000000, -0.0105003300000000, 0.0022652300000000 ] - [ 0.0007395200000000, -0.0008270400000000, -0.0003552300000000 ] - [ -0.0004760300000000, 0.0027371000000000, -0.0000215100000000 ] - [ 0.0001068400000000, 0.0008092000000000, 0.0001896900000000 ] - [ 0.0058668400000000, -0.0013927400000000, -0.0043399400000000 ] - [ -0.0017127000000000, -0.0005391700000000, -0.0009517700000000 ] - [ 0.0020493600000000, 0.0009216700000000, -0.0015984400000000 ] - [ -0.0009320800000000, 0.0000110700000000, -0.0007932200000000 ]- atom: 17 displacement: [ -0.0050436217710434, 0.0000000000000000, 0.0086349220859633 ] forces: - [ -0.0015827100000000, -0.0007439700000000, 0.0059452200000000 ] - [ -0.0002565300000000, 0.0001371800000000, 0.0005718200000000 ] - [ -0.0001028800000000, -0.0002821900000000, 0.0005845800000000 ] - [ 0.0002006500000000, -0.0000042700000000, -0.0000253700000000 ] - [ -0.0092447400000000, -0.0171980100000000, -0.0030016900000000 ] - [ -0.0001284500000000, 0.0000903400000000, -0.0003123900000000 ] - [ -0.0024013300000000, -0.0081877700000000, 0.0008958200000000 ] - [ -0.0001040300000000, 0.0001363800000000, -0.0002774500000000 ] - [ 0.0002343800000000, -0.0007189300000000, 0.0006602100000000 ] - [ 0.0009166800000000, -0.0005254500000000, -0.0005741600000000 ] - [ -0.0013548100000000, -0.0007164700000000, 0.0030079500000000 ] - [ 0.0006349000000000, -0.0004080100000000, 0.0017531800000000 ] - [ -0.0005806900000000, 0.0002147500000000, -0.0011483000000000 ] - [ -0.0010004100000000, 0.0007729500000000, 0.0000984600000000 ] - [ 0.0128941700000000, 0.0043955800000000, 0.0000675500000000 ] - [ -0.0007906600000000, 0.0008267300000000, -0.0004556700000000 ] - [ 0.1205368400000000, 0.0598828500000000, -0.0622594800000000 ] - [ -0.0003262700000000, -0.0000228800000000, -0.0004800600000000 ] - [ 0.0007481300000000, -0.0005838400000000, -0.0005990000000000 ] - [ -0.0009327100000000, 0.0001772100000000, 0.0001136700000000 ] - [ -0.0015171900000000, -0.0010892900000000, 0.0021833100000000 ] - [ 0.0001253900000000, -0.0002606400000000, 0.0005302200000000 ] - [ -0.0000609900000000, 0.0000857800000000, 0.0010499300000000 ] - [ 0.0009370500000000, -0.0001940400000000, -0.0002336000000000 ] - [ -0.0003366600000000, -0.0015335100000000, 0.0008253200000000 ] - [ 0.0000476500000000, 0.0003400200000000, -0.0003830100000000 ] - [ 0.0006661100000000, -0.0021750300000000, 0.0013602300000000 ] - [ -0.0003274600000000, 0.0000520200000000, 0.0009102000000000 ] - [ -0.0008644200000000, -0.0012002800000000, 0.0006258700000000 ] - [ 0.0001699800000000, -0.0000813300000000, 0.0002242000000000 ] - [ -0.0225295700000000, 0.0025692600000000, 0.0001390000000000 ] - [ -0.0006873600000000, 0.0005669000000000, -0.0008187800000000 ] - [ 0.0031771200000000, -0.0033647700000000, -0.0043618800000000 ] - [ -0.0013488800000000, 0.0003484300000000, 0.0000486900000000 ] - [ -0.0009030000000000, 0.0000750100000000, 0.0010427500000000 ] - [ 0.0014517700000000, -0.0012127900000000, 0.0007442600000000 ] - [ 0.0008764100000000, 0.0003004800000000, -0.0006435900000000 ] - [ -0.0006622300000000, 0.0005080000000000, 0.0003316700000000 ] - [ -0.0028105000000000, 0.0004493400000000, -0.0068879500000000 ] - [ -0.0037920500000000, 0.0021559100000000, -0.0005756900000000 ] - [ 0.0020521800000000, -0.0019423600000000, 0.0090259600000000 ] - [ -0.0004039000000000, 0.0004700000000000, -0.0002220800000000 ] - [ 0.0006910300000000, -0.0002697200000000, 0.0002692600000000 ] - [ -0.0001880200000000, 0.0003949700000000, 0.0004650700000000 ] - [ -0.0003529300000000, 0.0001822100000000, 0.0014797700000000 ] - [ 0.0004948900000000, -0.0002129800000000, 0.0002609500000000 ] - [ -0.0006170000000000, 0.0019833900000000, 0.0005807700000000 ] - [ -0.0006919200000000, -0.0007522800000000, -0.0012133200000000 ] - [ -0.0009236800000000, 0.0003423500000000, 0.0029190700000000 ] - [ 0.0001926700000000, 0.0002226200000000, 0.0014092400000000 ] - [ -0.0000271600000000, -0.0009864200000000, 0.0003808000000000 ] - [ -0.0000598600000000, -0.0005371200000000, 0.0002621600000000 ] - [ -0.0009677600000000, 0.0013922300000000, -0.0009471500000000 ] - [ -0.0002277100000000, -0.0000336500000000, -0.0012592500000000 ] - [ 0.0014367600000000, 0.0031525500000000, -0.0018403500000000 ] - [ -0.0010653300000000, 0.0000610800000000, -0.0001702500000000 ] - [ -0.0110021000000000, 0.0071744000000000, 0.0066282200000000 ] - [ 0.0003025000000000, 0.0003206200000000, -0.0004250800000000 ] - [ 0.0009047400000000, -0.0003646300000000, -0.0009292400000000 ] - [ -0.0005650600000000, 0.0001961000000000, -0.0004111700000000 ] - [ -0.0010534800000000, -0.0000605300000000, 0.0020150600000000 ] - [ 0.0001749300000000, -0.0005897200000000, 0.0004749500000000 ] - [ 0.0003055200000000, 0.0002639600000000, 0.0005133400000000 ] - [ 0.0000718000000000, -0.0004375400000000, 0.0004081000000000 ] - [ -0.0014241000000000, 0.0005197800000000, 0.0026707500000000 ] - [ 0.0059647700000000, -0.0023324900000000, 0.0030518800000000 ] - [ -0.0003977800000000, -0.0006242400000000, 0.0005817300000000 ] - [ 0.0003496700000000, -0.0003660000000000, -0.0001090100000000 ] - [ 0.0002510000000000, 0.0003700700000000, -0.0066349300000000 ] - [ -0.0015867900000000, -0.0000777600000000, -0.0007497600000000 ] - [ 0.0010928600000000, 0.0000659200000000, -0.0002597700000000 ] - [ -0.0007247900000000, 0.0000743400000000, 0.0002399000000000 ] - [ -0.0015914900000000, -0.0005286200000000, 0.0022521300000000 ] - [ 0.0005572600000000, 0.0000857200000000, 0.0010380100000000 ] - [ 0.0002978700000000, -0.0001319200000000, 0.0005331300000000 ] - [ 0.0006990200000000, -0.0002819500000000, -0.0002445900000000 ] - [ 0.0013638600000000, 0.0063590100000000, -0.0019123300000000 ] - [ -0.0000978500000000, -0.0000719900000000, -0.0003938500000000 ] - [ -0.0006021400000000, -0.0010446600000000, 0.0013284700000000 ] - [ 0.0009283400000000, -0.0007461500000000, 0.0001432600000000 ] - [ -0.0002290300000000, -0.0017799900000000, 0.0001461800000000 ] - [ 0.0000209900000000, -0.0000428200000000, -0.0003904800000000 ] - [ -0.0032180100000000, 0.0001463500000000, 0.0024543200000000 ] - [ 0.0002954700000000, 0.0000105900000000, -0.0001845300000000 ] - [ -0.0000387400000000, 0.0007603500000000, 0.0004287400000000 ] - [ 0.0000441900000000, -0.0002832300000000, -0.0000808900000000 ] - [ 0.0005200600000000, 0.0030753100000000, 0.0009917200000000 ] - [ -0.0004080100000000, -0.0000013100000000, 0.0005552700000000 ] - [ 0.0003016000000000, -0.0002564200000000, -0.0012658200000000 ] - [ -0.0011543200000000, -0.0009308000000000, 0.0005551900000000 ] - [ -0.0020230800000000, 0.0023064400000000, 0.0007758000000000 ] - [ 0.0001097200000000, 0.0005364500000000, 0.0003112600000000 ] - [ 0.0007392400000000, -0.0005859200000000, 0.0000622600000000 ] - [ -0.0013610600000000, -0.0000463600000000, 0.0019319900000000 ] - [ 0.0053154300000000, -0.0121559900000000, -0.0003874500000000 ] - [ 0.0030409800000000, -0.0005193300000000, 0.0003186900000000 ] - [ -0.0046798700000000, -0.0002968800000000, 0.0015319300000000 ] - [ 0.0007909700000000, 0.0000152000000000, 0.0005189600000000 ] - [ 0.0044668600000000, -0.0082302000000000, 0.0062132900000000 ] - [ 0.0015043100000000, 0.0000204700000000, 0.0011462500000000 ] - [ 0.0007880200000000, 0.0005089900000000, -0.0013948400000000 ] - [ 0.0003579400000000, 0.0005311900000000, -0.0005701200000000 ] - [ 0.0012101600000000, -0.0002635000000000, -0.0032248400000000 ] - [ -0.0016425200000000, -0.0002330500000000, -0.0025991000000000 ] - [ -0.0824665300000000, -0.0356167000000000, 0.0290123200000000 ] - [ 0.0006472800000000, 0.0007580500000000, 0.0009584100000000 ] - [ 0.0003535400000000, 0.0038960000000000, 0.0020805500000000 ] - [ 0.0010423300000000, 0.0006618700000000, -0.0000246200000000 ] - [ -0.0015686200000000, 0.0033776000000000, -0.0061610400000000 ] - [ 0.0012787200000000, -0.0005774800000000, -0.0017810500000000 ] - [ 0.0012362000000000, 0.0024370000000000, -0.0047310700000000 ] - [ 0.0001665500000000, -0.0011857500000000, -0.0018512900000000 ] - [ -0.0010374500000000, -0.0005303600000000, 0.0023938800000000 ] - [ 0.0008973800000000, -0.0000154100000000, -0.0004559500000000 ] - [ -0.0026638700000000, -0.0072802400000000, -0.0093011800000000 ] - [ 0.0004882000000000, 0.0003556800000000, -0.0006369600000000 ] - [ 0.0001364500000000, -0.0005080900000000, -0.0003902300000000 ] - [ 0.0000306600000000, 0.0001534400000000, 0.0007827500000000 ] - [ 0.0045138800000000, -0.0014327700000000, -0.0047457400000000 ] - [ -0.0023506700000000, 0.0000456800000000, -0.0008486200000000 ] - [ -0.0086041400000000, 0.0020701800000000, 0.0135172900000000 ] - [ 0.0009248700000000, 0.0006597700000000, 0.0009093100000000 ] - [ -0.0042950400000000, 0.0045059400000000, 0.0046183700000000 ] - [ 0.0010039700000000, 0.0011121100000000, 0.0005943500000000 ] - [ 0.0009896900000000, -0.0009771900000000, -0.0020962900000000 ] - [ -0.0003109800000000, -0.0005624400000000, 0.0001342100000000 ] - [ 0.0015578800000000, -0.0035353900000000, -0.0045235700000000 ] - [ -0.0006948800000000, -0.0012617200000000, -0.0007656700000000 ] - [ -0.0066670500000000, 0.0009925400000000, 0.0194742400000000 ] - [ 0.0023269400000000, -0.0000340100000000, -0.0015205000000000 ] - [ -0.0013562500000000, 0.0003913000000000, -0.0000993400000000 ] - [ 0.0004083900000000, 0.0002385500000000, -0.0002595600000000 ] - [ 0.0052681600000000, 0.0028425600000000, -0.0041544700000000 ] - [ -0.0008317200000000, 0.0008794600000000, 0.0021735800000000 ] - [ 0.0032619600000000, 0.0009517800000000, -0.0026364600000000 ] - [ -0.0009686300000000, 0.0000823000000000, 0.0006046800000000 ]- atom: 17 displacement: [ 0.0050436217710434, 0.0000000000000000, -0.0086349220859633 ] forces: - [ 0.0012797900000000, 0.0008375900000000, -0.0058744400000000 ] - [ -0.0000602600000000, -0.0000495700000000, -0.0004568900000000 ] - [ 0.0004231000000000, 0.0003605100000000, -0.0007022400000000 ] - [ 0.0001138800000000, 0.0000851800000000, -0.0000941700000000 ] - [ 0.0095294000000000, 0.0171685700000000, 0.0029794100000000 ] - [ 0.0004434400000000, -0.0001708900000000, 0.0001906600000000 ] - [ 0.0020641300000000, 0.0080082800000000, -0.0007617300000000 ] - [ -0.0002160100000000, -0.0002193500000000, 0.0003943700000000 ] - [ 0.0009743900000000, -0.0005736100000000, -0.0012495600000000 ] - [ 0.0002917800000000, -0.0007670000000000, -0.0000237500000000 ] - [ 0.0001374700000000, -0.0005653400000000, -0.0024148700000000 ] - [ -0.0018354000000000, -0.0008826700000000, -0.0011737500000000 ] - [ -0.0006240700000000, 0.0010698200000000, 0.0017345400000000 ] - [ -0.0002112800000000, 0.0005166500000000, 0.0004985200000000 ] - [ -0.0117717200000000, -0.0031708100000000, -0.0008155900000000 ] - [ 0.0019877000000000, 0.0004665200000000, -0.0001455500000000 ] - [ -0.1191420100000000, -0.0595822300000000, 0.0607444900000000 ] - [ 0.0014984600000000, 0.0003051600000000, 0.0000295900000000 ] - [ -0.0019104400000000, 0.0008519500000000, 0.0010407300000000 ] - [ -0.0002515000000000, 0.0001050900000000, 0.0003336200000000 ] - [ 0.0003458900000000, 0.0008137400000000, -0.0017254800000000 ] - [ -0.0013069500000000, -0.0000212800000000, -0.0000842000000000 ] - [ 0.0012426500000000, -0.0003722000000000, -0.0014931200000000 ] - [ 0.0002407900000000, -0.0000884100000000, -0.0002188600000000 ] - [ 0.0003434600000000, 0.0014295700000000, -0.0017928300000000 ] - [ -0.0000464100000000, -0.0004342800000000, -0.0005931400000000 ] - [ -0.0006718600000000, 0.0020938500000000, -0.0003783600000000 ] - [ 0.0003232600000000, -0.0001449000000000, 0.0000626700000000 ] - [ 0.0008553800000000, 0.0012777000000000, 0.0003476000000000 ] - [ -0.0001784000000000, 0.0001670100000000, 0.0007505900000000 ] - [ 0.0227650800000000, -0.0024765300000000, -0.0010691800000000 ] - [ 0.0006846500000000, -0.0004665700000000, -0.0001586500000000 ] - [ -0.0042146900000000, 0.0035971400000000, 0.0046600300000000 ] - [ 0.0002642600000000, -0.0001627600000000, 0.0002696900000000 ] - [ 0.0003689000000000, -0.0009236500000000, -0.0016612500000000 ] - [ -0.0019634500000000, 0.0003607100000000, -0.0013626800000000 ] - [ -0.0003467500000000, 0.0005353100000000, 0.0012579800000000 ] - [ 0.0011852300000000, 0.0003399100000000, 0.0002851000000000 ] - [ 0.0022511100000000, 0.0003870800000000, 0.0062228600000000 ] - [ 0.0032610600000000, -0.0013076700000000, -0.0000435000000000 ] - [ -0.0022698300000000, 0.0029037100000000, -0.0098755500000000 ] - [ 0.0001393100000000, 0.0005175900000000, -0.0007534000000000 ] - [ -0.0004269600000000, 0.0012514000000000, 0.0007082600000000 ] - [ 0.0004452400000000, 0.0005899000000000, 0.0005034700000000 ] - [ 0.0006120800000000, -0.0011599500000000, -0.0005073200000000 ] - [ -0.0002435500000000, -0.0007820400000000, 0.0007001700000000 ] - [ 0.0003621200000000, -0.0029671900000000, -0.0015379300000000 ] - [ 0.0004243200000000, -0.0002391600000000, 0.0002330800000000 ] - [ 0.0007239900000000, -0.0010467800000000, -0.0027459000000000 ] - [ -0.0003969200000000, -0.0009305600000000, -0.0012580000000000 ] - [ 0.0002252400000000, 0.0002761600000000, -0.0005326300000000 ] - [ 0.0002595300000000, -0.0001740600000000, -0.0004172900000000 ] - [ 0.0011748300000000, -0.0006766700000000, 0.0007801900000000 ] - [ 0.0004166400000000, 0.0007380200000000, 0.0011036800000000 ] - [ -0.0016411800000000, -0.0024279600000000, 0.0019978000000000 ] - [ 0.0008548400000000, 0.0006438200000000, 0.0003215300000000 ] - [ 0.0111934000000000, -0.0064016800000000, -0.0059563200000000 ] - [ 0.0000526400000000, 0.0003400400000000, 0.0009940000000000 ] - [ -0.0012712800000000, 0.0010208500000000, 0.0003642100000000 ] - [ 0.0001936500000000, 0.0004603700000000, -0.0001599300000000 ] - [ 0.0006931400000000, -0.0005914000000000, -0.0025804100000000 ] - [ -0.0005526700000000, -0.0000685600000000, -0.0010511600000000 ] - [ 0.0000636300000000, -0.0009275400000000, 0.0000581000000000 ] - [ 0.0002958400000000, -0.0002237800000000, 0.0001583800000000 ] - [ 0.0013603400000000, -0.0009782300000000, -0.0021407400000000 ] - [ -0.0060517100000000, 0.0018820300000000, -0.0025624200000000 ] - [ 0.0004561100000000, 0.0001525900000000, -0.0010940300000000 ] - [ -0.0002864200000000, -0.0001026400000000, -0.0004107700000000 ] - [ -0.0001269900000000, 0.0000841900000000, 0.0061253200000000 ] - [ 0.0016412600000000, 0.0005476900000000, 0.0002345400000000 ] - [ -0.0011492900000000, 0.0004012700000000, 0.0007686100000000 ] - [ 0.0006565100000000, 0.0003891900000000, 0.0002738200000000 ] - [ 0.0005193300000000, 0.0003444900000000, -0.0019243300000000 ] - [ -0.0016403700000000, -0.0002642000000000, -0.0007328700000000 ] - [ 0.0007818100000000, -0.0000536700000000, -0.0008485400000000 ] - [ 0.0003789200000000, 0.0000949600000000, -0.0000784900000000 ] - [ -0.0002455000000000, -0.0061698400000000, 0.0015640000000000 ] - [ 0.0011664200000000, 0.0002551800000000, 0.0000719500000000 ] - [ 0.0011273400000000, 0.0001920500000000, -0.0007028400000000 ] - [ -0.0004016700000000, -0.0001022600000000, 0.0004759700000000 ] - [ 0.0004046100000000, 0.0020329800000000, -0.0005101000000000 ] - [ 0.0001597300000000, 0.0003072500000000, 0.0000200300000000 ] - [ 0.0030119500000000, 0.0001230300000000, -0.0020663200000000 ] - [ -0.0004821000000000, 0.0002643900000000, 0.0005503900000000 ] - [ 0.0002226900000000, -0.0010261400000000, -0.0008024000000000 ] - [ 0.0001342000000000, 0.0000167000000000, -0.0002883400000000 ] - [ -0.0007025500000000, -0.0033571300000000, -0.0006288800000000 ] - [ 0.0002268200000000, -0.0002643200000000, -0.0001858600000000 ] - [ -0.0017232400000000, -0.0013836700000000, 0.0021571100000000 ] - [ -0.0002626500000000, -0.0007152900000000, 0.0003489600000000 ] - [ 0.0005526200000000, -0.0016919300000000, 0.0006217700000000 ] - [ -0.0015792300000000, 0.0000841500000000, 0.0010957500000000 ] - [ -0.0022071200000000, -0.0000296900000000, 0.0013494600000000 ] - [ -0.0001021000000000, -0.0005525500000000, -0.0005203800000000 ] - [ -0.0038193400000000, 0.0115180400000000, -0.0010420000000000 ] - [ -0.0015401100000000, -0.0000995000000000, -0.0017181200000000 ] - [ 0.0036821000000000, -0.0003191100000000, -0.0009036900000000 ] - [ -0.0017689900000000, -0.0006067000000000, 0.0001061100000000 ] - [ -0.0035391300000000, 0.0075817400000000, -0.0067701400000000 ] - [ -0.0004940100000000, -0.0006175700000000, -0.0017715200000000 ] - [ 0.0002037000000000, 0.0000920300000000, 0.0007660000000000 ] - [ 0.0006337000000000, 0.0000687800000000, -0.0000493200000000 ] - [ -0.0022034000000000, 0.0008492900000000, 0.0038284500000000 ] - [ 0.0006617200000000, 0.0008294400000000, 0.0032351200000000 ] - [ 0.0819618600000000, 0.0379872200000000, -0.0271802700000000 ] - [ -0.0020561300000000, 0.0008859200000000, -0.0000502900000000 ] - [ 0.0010510400000000, -0.0022134500000000, -0.0029610000000000 ] - [ 0.0003873500000000, 0.0009884300000000, -0.0008798900000000 ] - [ 0.0030135900000000, -0.0027415100000000, 0.0047237800000000 ] - [ 0.0002042700000000, 0.0011948400000000, 0.0003773500000000 ] - [ 0.0001808000000000, -0.0041163900000000, 0.0038282200000000 ] - [ 0.0012563700000000, -0.0004652500000000, 0.0009587200000000 ] - [ 0.0013019500000000, 0.0010030700000000, -0.0025500800000000 ] - [ -0.0006188800000000, 0.0004802000000000, 0.0003055200000000 ] - [ 0.0022971900000000, 0.0076850100000000, 0.0094572900000000 ] - [ -0.0007448600000000, 0.0001049200000000, 0.0007881100000000 ] - [ -0.0004081800000000, 0.0000511600000000, 0.0005252500000000 ] - [ -0.0003012800000000, -0.0006100100000000, -0.0006304500000000 ] - [ -0.0042177600000000, 0.0009531800000000, 0.0045729300000000 ] - [ 0.0026717400000000, -0.0005220600000000, 0.0007540900000000 ] - [ 0.0075733700000000, -0.0008111200000000, -0.0137433400000000 ] - [ -0.0012294600000000, 0.0012318100000000, -0.0016247700000000 ] - [ 0.0045998800000000, -0.0025594800000000, -0.0039041400000000 ] - [ -0.0006781800000000, 0.0007862600000000, 0.0001212300000000 ] - [ -0.0006762900000000, -0.0009212400000000, 0.0028016500000000 ] - [ 0.0006365600000000, -0.0013298200000000, 0.0005873800000000 ] - [ -0.0018850600000000, 0.0016559500000000, 0.0038038400000000 ] - [ 0.0003762500000000, -0.0006383700000000, 0.0000551000000000 ] - [ 0.0066830800000000, -0.0007738700000000, -0.0202309900000000 ] - [ -0.0018976000000000, 0.0002950600000000, 0.0011601100000000 ] - [ 0.0009198200000000, -0.0001138000000000, 0.0004596300000000 ] - [ -0.0008237400000000, 0.0000307000000000, 0.0006129300000000 ] - [ -0.0056633300000000, -0.0031122600000000, 0.0044710000000000 ] - [ 0.0004027900000000, -0.0011508100000000, -0.0018247900000000 ] - [ -0.0028146400000000, -0.0012020300000000, 0.0022664900000000 ] - [ 0.0013893700000000, -0.0003514400000000, -0.0009475600000000 ]- atom: 25 displacement: [ 0.0099999999206514, 0.0000000000000000, 0.0000012597509720 ] forces: - [ 0.0006967100000000, -0.0011838900000000, -0.0004391900000000 ] - [ -0.0008332100000000, 0.0014487700000000, 0.0011057600000000 ] - [ 0.0036139100000000, 0.0244279300000000, -0.0016670500000000 ] - [ 0.0013692100000000, -0.0002579200000000, -0.0003345800000000 ] - [ 0.0002263500000000, 0.0002137900000000, -0.0006671500000000 ] - [ 0.0001914300000000, 0.0001015300000000, 0.0002476500000000 ] - [ -0.0002952300000000, 0.0001768100000000, 0.0042554300000000 ] - [ 0.0013862800000000, -0.0004079300000000, -0.0013843500000000 ] - [ -0.0021774000000000, 0.0027446500000000, -0.0097182900000000 ] - [ 0.0017631100000000, -0.0008642600000000, 0.0003226500000000 ] - [ -0.0000087500000000, -0.0007113300000000, 0.0006377500000000 ] - [ -0.0010804700000000, 0.0006688500000000, 0.0006467100000000 ] - [ -0.0002704100000000, 0.0009250400000000, 0.0015165100000000 ] - [ -0.0011325100000000, 0.0006067700000000, -0.0015741500000000 ] - [ 0.0001606800000000, 0.0010575300000000, -0.0013765200000000 ] - [ 0.0010652600000000, 0.0006432600000000, 0.0002205900000000 ] - [ 0.0003057500000000, 0.0001667400000000, -0.0007801600000000 ] - [ 0.0008347900000000, 0.0002537300000000, -0.0000286900000000 ] - [ -0.0022138100000000, 0.0004599000000000, 0.0000511200000000 ] - [ 0.0000757600000000, -0.0000087000000000, 0.0002352300000000 ] - [ -0.0000557400000000, 0.0005037700000000, -0.0004597500000000 ] - [ -0.0002002200000000, 0.0002123200000000, 0.0006544200000000 ] - [ 0.0291726900000000, 0.0014442000000000, -0.0094677100000000 ] - [ 0.0033664800000000, -0.0012985300000000, 0.0006027100000000 ] - [ -0.2093043800000000, -0.1672490800000000, 0.0873730700000000 ] - [ 0.0014895000000000, 0.0002031900000000, -0.0007717600000000 ] - [ 0.0005896000000000, -0.0001778800000000, 0.0002477000000000 ] - [ -0.0008679500000000, 0.0006984400000000, 0.0009700700000000 ] - [ 0.0001288600000000, 0.0008716100000000, 0.0014968000000000 ] - [ 0.0007298800000000, -0.0004672100000000, -0.0004454900000000 ] - [ 0.0000737900000000, -0.0000880200000000, -0.0012233400000000 ] - [ 0.0000456200000000, 0.0001355600000000, -0.0000461100000000 ] - [ -0.0015312600000000, -0.0000369700000000, -0.0009269000000000 ] - [ -0.0001540300000000, -0.0003215700000000, 0.0001942900000000 ] - [ 0.0022761000000000, -0.0014943800000000, 0.0001879800000000 ] - [ 0.0306131600000000, 0.0206844500000000, -0.0000165100000000 ] - [ 0.0001433200000000, -0.0000068000000000, -0.0005117800000000 ] - [ 0.0008646500000000, 0.0006267400000000, 0.0008156700000000 ] - [ -0.0000527400000000, 0.0004554200000000, -0.0001660900000000 ] - [ -0.0006951200000000, 0.0001398800000000, -0.0008887900000000 ] - [ -0.0060282500000000, 0.0060375300000000, -0.0035553300000000 ] - [ 0.0008148700000000, 0.0002473100000000, -0.0000612300000000 ] - [ 0.0003024000000000, 0.0007009400000000, 0.0000173400000000 ] - [ -0.0004989900000000, 0.0006380600000000, 0.0005986500000000 ] - [ 0.0005577500000000, 0.0002031200000000, 0.0013678800000000 ] - [ 0.0004239700000000, -0.0003770700000000, 0.0003027300000000 ] - [ -0.0004016300000000, -0.0014688400000000, -0.0030443700000000 ] - [ 0.0011788100000000, -0.0008544800000000, 0.0018375700000000 ] - [ -0.0084003300000000, -0.0002246200000000, 0.0003501900000000 ] - [ 0.0013078900000000, -0.0008016400000000, -0.0000698300000000 ] - [ 0.0014461300000000, 0.0004428200000000, -0.0005090100000000 ] - [ -0.0019772000000000, -0.0014043700000000, 0.0008650500000000 ] - [ -0.0001865600000000, 0.0009035400000000, 0.0004948800000000 ] - [ 0.0003061000000000, 0.0001592600000000, -0.0005911500000000 ] - [ 0.0004319900000000, 0.0010574400000000, -0.0020253300000000 ] - [ -0.0000202400000000, 0.0000026400000000, 0.0012094000000000 ] - [ -0.0006448900000000, 0.0006223100000000, 0.0002927600000000 ] - [ 0.0008041000000000, 0.0006290600000000, -0.0001980100000000 ] - [ 0.0001304700000000, -0.0001524100000000, -0.0026680600000000 ] - [ -0.0003282800000000, 0.0003189900000000, 0.0004461500000000 ] - [ -0.0016424000000000, 0.0006234900000000, 0.0002058400000000 ] - [ 0.0007865100000000, 0.0001236700000000, -0.0004334500000000 ] - [ 0.0025938100000000, 0.0003425300000000, -0.0017227200000000 ] - [ 0.0002723800000000, -0.0017441600000000, 0.0027453000000000 ] - [ -0.0009852200000000, 0.0001203500000000, 0.0001292000000000 ] - [ 0.0007368700000000, -0.0000050300000000, 0.0009037000000000 ] - [ 0.0026557900000000, 0.0013427400000000, 0.0007077100000000 ] - [ 0.0034692500000000, -0.0048191700000000, 0.0001539600000000 ] - [ 0.0001434400000000, 0.0003005000000000, -0.0001425300000000 ] - [ -0.0002226000000000, 0.0004574100000000, -0.0005697600000000 ] - [ 0.0015822800000000, -0.0016715300000000, -0.0064101000000000 ] - [ 0.0014802800000000, 0.0004807100000000, 0.0015427600000000 ] - [ -0.0016257000000000, -0.0021613600000000, 0.0003156800000000 ] - [ 0.0023328600000000, 0.0015981600000000, 0.0008384100000000 ] - [ 0.0015728400000000, 0.0011656100000000, -0.0010710600000000 ] - [ 0.0013875900000000, -0.0007144700000000, 0.0007417000000000 ] - [ 0.0001437800000000, 0.0003544800000000, -0.0003939700000000 ] - [ 0.0008956500000000, 0.0002826300000000, -0.0001775000000000 ] - [ -0.0009076900000000, 0.0003021800000000, -0.0005897900000000 ] - [ 0.0010943800000000, -0.0003021700000000, 0.0005062400000000 ] - [ 0.0002495000000000, 0.0006525000000000, -0.0008092000000000 ] - [ 0.0001045400000000, 0.0000567200000000, 0.0001227200000000 ] - [ -0.0003989300000000, -0.0009695500000000, 0.0009357900000000 ] - [ 0.0016832100000000, 0.0008550400000000, -0.0012613700000000 ] - [ -0.0015482600000000, 0.0007812400000000, 0.0008393600000000 ] - [ 0.0005715600000000, 0.0000821800000000, -0.0002866700000000 ] - [ 0.0007234200000000, -0.0002890700000000, -0.0003983600000000 ] - [ -0.0010524400000000, -0.0003799400000000, 0.0014129600000000 ] - [ 0.0993324400000000, 0.0471733900000000, -0.0543289000000000 ] - [ -0.0037147400000000, 0.0000016300000000, 0.0002624200000000 ] - [ -0.0020292300000000, -0.0000976000000000, 0.0013078000000000 ] - [ 0.0017293900000000, -0.0003414300000000, 0.0002416800000000 ] - [ -0.0014212900000000, -0.0013147000000000, -0.0005824400000000 ] - [ -0.0009290100000000, 0.0003625900000000, 0.0016598500000000 ] - [ 0.0010564400000000, 0.0003320800000000, 0.0021120000000000 ] - [ 0.0003704800000000, -0.0005334600000000, -0.0025656800000000 ] - [ 0.0004849200000000, -0.0009543500000000, 0.0054930300000000 ] - [ -0.0009338600000000, -0.0000625100000000, -0.0012280000000000 ] - [ 0.0010348500000000, -0.0007016400000000, -0.0004708000000000 ] - [ 0.0000819400000000, -0.0005576100000000, 0.0002457200000000 ] - [ -0.0030631800000000, -0.0021734400000000, 0.0004940500000000 ] - [ 0.0003192600000000, 0.0039176700000000, -0.0043377100000000 ] - [ 0.0029073100000000, 0.0005718300000000, 0.0007200700000000 ] - [ -0.0029820000000000, -0.0002592800000000, -0.0003551300000000 ] - [ -0.0005757000000000, 0.0005965000000000, 0.0019937100000000 ] - [ -0.0009650400000000, 0.0006575100000000, -0.0002856100000000 ] - [ 0.0021885600000000, -0.0010384900000000, -0.0027922800000000 ] - [ -0.0002468400000000, 0.0013874100000000, 0.0015305300000000 ] - [ 0.0578454100000000, 0.0607511600000000, -0.0076547700000000 ] - [ -0.0021943500000000, 0.0006824600000000, -0.0007608800000000 ] - [ -0.0001505300000000, -0.0005570500000000, -0.0006787600000000 ] - [ 0.0009746800000000, -0.0023838700000000, -0.0014387500000000 ] - [ -0.0009522200000000, 0.0002968900000000, 0.0009935700000000 ] - [ 0.0041868800000000, 0.0015963800000000, 0.0003099900000000 ] - [ 0.0015462300000000, -0.0023849300000000, 0.0001939900000000 ] - [ -0.0013439800000000, 0.0001765400000000, -0.0000747800000000 ] - [ -0.0019304900000000, -0.0015756400000000, 0.0053030100000000 ] - [ -0.0012958400000000, 0.0003326300000000, -0.0016035400000000 ] - [ 0.0002351400000000, 0.0003776000000000, -0.0010492800000000 ] - [ -0.0015740200000000, -0.0034980900000000, 0.0013943300000000 ] - [ 0.0030204700000000, 0.0027863300000000, 0.0002400100000000 ] - [ -0.0015261600000000, 0.0008694800000000, 0.0004537800000000 ] - [ 0.0005580500000000, 0.0008207700000000, 0.0015122300000000 ] - [ -0.0000445000000000, 0.0007475000000000, -0.0001241400000000 ] - [ -0.0004310700000000, -0.0062092500000000, 0.0013128800000000 ] - [ -0.0011755800000000, -0.0007861600000000, 0.0000849900000000 ] - [ -0.0045518500000000, 0.0048962800000000, 0.0036727100000000 ] - [ -0.0052420400000000, -0.0013581700000000, -0.0100193700000000 ] - [ -0.0008605400000000, 0.0003141600000000, 0.0003795900000000 ] - [ 0.0015791500000000, -0.0004117000000000, -0.0009258600000000 ] - [ 0.0107853000000000, 0.0068427700000000, -0.0001465500000000 ] - [ -0.0026445500000000, -0.0003238900000000, -0.0003310600000000 ] - [ 0.0001727900000000, -0.0008474600000000, 0.0014315000000000 ] - [ -0.0007111700000000, -0.0004040300000000, -0.0006041700000000 ] - [ -0.0053990900000000, 0.0000751000000000, -0.0078408200000000 ] - [ -0.0071452400000000, 0.0033664000000000, 0.0050730300000000 ]- atom: 25 displacement: [ -0.0099999999206514, 0.0000000000000000, -0.0000012597509720 ] forces: - [ -0.0010157500000000, 0.0012808200000000, 0.0005601600000000 ] - [ 0.0005074900000000, -0.0013631000000000, -0.0009882100000000 ] - [ -0.0032672400000000, -0.0245959600000000, 0.0015647100000000 ] - [ -0.0010532800000000, 0.0003392400000000, 0.0002162100000000 ] - [ 0.0000902500000000, -0.0002984600000000, 0.0005507900000000 ] - [ 0.0001243100000000, -0.0001861400000000, -0.0003668400000000 ] - [ -0.0000045100000000, -0.0002564800000000, -0.0041648300000000 ] - [ -0.0017031400000000, 0.0003239800000000, 0.0015005000000000 ] - [ 0.0034702500000000, -0.0040270300000000, 0.0091176200000000 ] - [ -0.0005555900000000, -0.0004266800000000, -0.0009164700000000 ] - [ -0.0011977400000000, -0.0005781600000000, -0.0000434600000000 ] - [ -0.0001401100000000, -0.0019596000000000, -0.0000532700000000 ] - [ -0.0009375500000000, 0.0003637400000000, -0.0009197000000000 ] - [ -0.0000761400000000, 0.0006836700000000, 0.0021664400000000 ] - [ 0.0010388500000000, 0.0002304700000000, 0.0007849600000000 ] - [ 0.0001446300000000, 0.0006471300000000, -0.0008175500000000 ] - [ 0.0008741000000000, 0.0001141500000000, 0.0003401100000000 ] - [ 0.0003433900000000, 0.0000294700000000, -0.0004239400000000 ] - [ 0.0010402100000000, -0.0001781700000000, 0.0004024300000000 ] - [ -0.0012572200000000, 0.0002905400000000, 0.0002103900000000 ] - [ -0.0011199200000000, -0.0007881000000000, 0.0009105100000000 ] - [ -0.0009838100000000, -0.0004968100000000, -0.0002063200000000 ] - [ -0.0286016300000000, -0.0017642900000000, 0.0092456300000000 ] - [ -0.0021871400000000, 0.0010153600000000, -0.0010513600000000 ] - [ 0.2131121500000000, 0.1693133700000000, -0.0919375800000000 ] - [ -0.0014881400000000, -0.0002959200000000, -0.0002033200000000 ] - [ -0.0005942300000000, 0.0000863800000000, 0.0007280100000000 ] - [ 0.0008621800000000, -0.0007939000000000, 0.0000034900000000 ] - [ -0.0001303200000000, -0.0007816000000000, -0.0005249500000000 ] - [ -0.0007364100000000, 0.0005573700000000, 0.0014187000000000 ] - [ -0.0000700700000000, 0.0001837500000000, 0.0002500100000000 ] - [ -0.0000408800000000, -0.0000420000000000, -0.0009293700000000 ] - [ 0.0004532600000000, 0.0002260100000000, 0.0012532100000000 ] - [ -0.0009255600000000, 0.0005071800000000, 0.0001221300000000 ] - [ -0.0028155200000000, 0.0006543700000000, -0.0008129600000000 ] - [ -0.0306674100000000, -0.0211514000000000, -0.0006096600000000 ] - [ 0.0003745100000000, 0.0008579900000000, 0.0011363300000000 ] - [ -0.0003357500000000, 0.0002192400000000, -0.0001984500000000 ] - [ -0.0004702500000000, 0.0003942700000000, -0.0004465700000000 ] - [ 0.0001693500000000, 0.0007114600000000, 0.0002663200000000 ] - [ 0.0057298300000000, -0.0051403300000000, 0.0026400600000000 ] - [ -0.0010768600000000, 0.0007418900000000, -0.0009132600000000 ] - [ -0.0000429800000000, 0.0002835000000000, 0.0009573300000000 ] - [ 0.0007566300000000, 0.0003472600000000, 0.0003697800000000 ] - [ -0.0002962500000000, -0.0011933900000000, -0.0003979700000000 ] - [ -0.0001677000000000, -0.0006099300000000, 0.0006649200000000 ] - [ 0.0001496300000000, 0.0004849000000000, 0.0020875000000000 ] - [ -0.0014348800000000, -0.0001313300000000, -0.0028045100000000 ] - [ 0.0082487200000000, -0.0006528300000000, -0.0002515200000000 ] - [ -0.0015102500000000, 0.0000952200000000, 0.0002254600000000 ] - [ -0.0012502500000000, -0.0011571900000000, 0.0003575000000000 ] - [ 0.0021744300000000, 0.0006931200000000, -0.0010189400000000 ] - [ 0.0003897700000000, -0.0001977200000000, -0.0006495500000000 ] - [ -0.0001083200000000, 0.0005497200000000, 0.0004357800000000 ] - [ -0.0006334800000000, -0.0003474900000000, 0.0021828200000000 ] - [ -0.0001780700000000, 0.0007087200000000, -0.0010580000000000 ] - [ 0.0010220100000000, 0.0000326600000000, 0.0002800200000000 ] - [ -0.0004359900000000, 0.0000317600000000, 0.0007641700000000 ] - [ -0.0004977000000000, 0.0008104400000000, 0.0020990400000000 ] - [ -0.0000408900000000, 0.0003400300000000, -0.0010161600000000 ] - [ 0.0012932100000000, -0.0013013200000000, -0.0007705200000000 ] - [ -0.0011559400000000, -0.0007817100000000, -0.0001359100000000 ] - [ -0.0022426600000000, -0.0010113200000000, 0.0023089700000000 ] - [ 0.0000963500000000, 0.0010825500000000, -0.0021715800000000 ] - [ 0.0009426700000000, -0.0006013800000000, 0.0003657300000000 ] - [ -0.0007983900000000, -0.0004603700000000, -0.0003847600000000 ] - [ -0.0026077000000000, -0.0018239700000000, -0.0012315200000000 ] - [ -0.0033669000000000, 0.0043096100000000, -0.0006736400000000 ] - [ -0.0000804100000000, 0.0001663400000000, -0.0003698600000000 ] - [ 0.0002838500000000, 0.0000076600000000, 0.0000492700000000 ] - [ -0.0016455400000000, 0.0021265400000000, 0.0068931000000000 ] - [ -0.0015489900000000, -0.0000153300000000, -0.0010340600000000 ] - [ 0.0005729600000000, 0.0019924200000000, 0.0000019400000000 ] - [ -0.0034053700000000, -0.0017773300000000, -0.0005168300000000 ] - [ -0.0004882100000000, -0.0013618100000000, 0.0007538700000000 ] - [ -0.0003095700000000, 0.0005287500000000, -0.0010587500000000 ] - [ 0.0009358200000000, -0.0001733000000000, 0.0000797100000000 ] - [ 0.0001802100000000, -0.0000985000000000, -0.0001441600000000 ] - [ 0.0014366900000000, -0.0011525100000000, 0.0012106200000000 ] - [ -0.0005681300000000, -0.0005475000000000, 0.0001142100000000 ] - [ -0.0000683900000000, -0.0003885000000000, 0.0004414100000000 ] - [ 0.0000761600000000, 0.0002084200000000, -0.0004913700000000 ] - [ 0.0002248600000000, 0.0012431500000000, -0.0005718500000000 ] - [ -0.0018597200000000, -0.0005871000000000, 0.0016248500000000 ] - [ 0.0017340500000000, -0.0010533900000000, -0.0012134900000000 ] - [ -0.0003913400000000, -0.0003497800000000, -0.0000826900000000 ] - [ -0.0009086800000000, 0.0000240900000000, 0.0007718900000000 ] - [ 0.0008661100000000, 0.0001183700000000, -0.0010466300000000 ] - [ -0.1043267100000000, -0.0521943100000000, 0.0589066900000000 ] - [ 0.0022951400000000, -0.0016482800000000, 0.0006381900000000 ] - [ 0.0005593000000000, 0.0007185700000000, 0.0000949200000000 ] - [ -0.0032017100000000, 0.0009637300000000, 0.0011671100000000 ] - [ -0.0000540400000000, 0.0007028900000000, 0.0019918400000000 ] - [ -0.0005355800000000, -0.0009771800000000, -0.0002478000000000 ] - [ 0.0004126000000000, -0.0009576200000000, -0.0035257300000000 ] - [ 0.0010977800000000, -0.0000884400000000, 0.0011575700000000 ] - [ -0.0014708500000000, 0.0003552100000000, -0.0048808700000000 ] - [ -0.0000558600000000, -0.0005367900000000, 0.0018571900000000 ] - [ -0.0000482700000000, 0.0001093100000000, -0.0001579800000000 ] - [ 0.0009118900000000, -0.0000395400000000, -0.0008637300000000 ] - [ 0.0040695700000000, 0.0027985100000000, -0.0011240100000000 ] - [ 0.0006795600000000, -0.0033154500000000, 0.0037058500000000 ] - [ -0.0039971800000000, 0.0000598900000000, -0.0000950900000000 ] - [ 0.0019927400000000, 0.0008527700000000, 0.0009752200000000 ] - [ -0.0008418600000000, 0.0010534300000000, -0.0010994500000000 ] - [ -0.0004547100000000, 0.0009914100000000, 0.0011889400000000 ] - [ -0.0007758100000000, 0.0026883900000000, 0.0018878400000000 ] - [ 0.0016714400000000, 0.0002620200000000, -0.0024306500000000 ] - [ -0.0566514900000000, -0.0586830300000000, 0.0060508900000000 ] - [ 0.0036777400000000, -0.0000684800000000, -0.0006451000000000 ] - [ 0.0015679500000000, -0.0010956100000000, -0.0002218500000000 ] - [ 0.0004559600000000, 0.0007384500000000, 0.0005399900000000 ] - [ 0.0012308600000000, 0.0001668400000000, -0.0011531300000000 ] - [ -0.0039027800000000, -0.0011353900000000, -0.0004505700000000 ] - [ -0.0018167400000000, 0.0028842100000000, -0.0000522300000000 ] - [ 0.0010698200000000, 0.0002857800000000, 0.0002249100000000 ] - [ 0.0016408600000000, 0.0011240400000000, -0.0051723100000000 ] - [ 0.0010222500000000, -0.0007944900000000, 0.0017489600000000 ] - [ 0.0000263400000000, -0.0008443400000000, 0.0009028100000000 ] - [ 0.0018544200000000, 0.0030226400000000, -0.0015357100000000 ] - [ -0.0033703700000000, -0.0009007100000000, -0.0009944900000000 ] - [ 0.0012083200000000, 0.0010248000000000, -0.0011633400000000 ] - [ -0.0002395100000000, 0.0010791600000000, -0.0008048500000000 ] - [ 0.0003646200000000, 0.0011513200000000, 0.0008404700000000 ] - [ 0.0007430200000000, 0.0043248300000000, -0.0005956700000000 ] - [ 0.0014967500000000, -0.0011062600000000, 0.0006294400000000 ] - [ 0.0042569600000000, -0.0068457100000000, -0.0044180900000000 ] - [ 0.0049244000000000, -0.0005427200000000, 0.0092834600000000 ] - [ 0.0012855200000000, -0.0000507300000000, -0.0007425700000000 ] - [ -0.0011454600000000, 0.0006807500000000, 0.0005970300000000 ] - [ -0.0111830500000000, -0.0066299900000000, 0.0004735800000000 ] - [ 0.0022281600000000, 0.0005947600000000, 0.0006892900000000 ] - [ -0.0006021600000000, 0.0005894200000000, -0.0010768400000000 ] - [ 0.0002888200000000, 0.0001392000000000, 0.0009556400000000 ] - [ 0.0058483300000000, -0.0003396700000000, 0.0075522200000000 ] - [ 0.0075690200000000, -0.0036255500000000, -0.0054142800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001887300000000, 0.0000836300000000, 0.0000422900000000 ] - [ 0.0008314700000000, 0.0013568700000000, 0.0011674000000000 ] - [ 0.0263669800000000, 0.0449865100000000, -0.0038513200000000 ] - [ 0.0002867000000000, -0.0002202100000000, -0.0001803900000000 ] - [ 0.0001722100000000, 0.0011511000000000, -0.0004867200000000 ] - [ 0.0001179400000000, 0.0005722200000000, 0.0000822100000000 ] - [ 0.0000519000000000, -0.0034140300000000, 0.0015050700000000 ] - [ 0.0002196600000000, -0.0008066200000000, -0.0006368800000000 ] - [ 0.0055636800000000, -0.0006808900000000, -0.0152265000000000 ] - [ 0.0008857400000000, -0.0009706700000000, -0.0000044400000000 ] - [ -0.0007481100000000, -0.0001753100000000, 0.0005345000000000 ] - [ 0.0006227300000000, 0.0014290900000000, 0.0008375700000000 ] - [ -0.0001865600000000, 0.0001474300000000, 0.0011508100000000 ] - [ -0.0010458000000000, 0.0005490900000000, -0.0014008200000000 ] - [ 0.0016393400000000, 0.0018750700000000, -0.0017419200000000 ] - [ 0.0004066000000000, 0.0009330200000000, -0.0002928500000000 ] - [ 0.0007303400000000, 0.0006848000000000, -0.0018660300000000 ] - [ 0.0008835400000000, 0.0001835900000000, 0.0003976200000000 ] - [ 0.0004613300000000, -0.0000331100000000, 0.0033085300000000 ] - [ -0.0007439200000000, 0.0001295600000000, 0.0000192200000000 ] - [ 0.0003604700000000, 0.0017824700000000, -0.0006498000000000 ] - [ 0.0001139600000000, 0.0009239800000000, 0.0004909900000000 ] - [ 0.0039841000000000, -0.0081164400000000, -0.0012963500000000 ] - [ 0.0016061500000000, -0.0016786600000000, -0.0002307800000000 ] - [ -0.1700579100000000, -0.3277537200000000, 0.0676790500000000 ] - [ 0.0002558200000000, -0.0004491000000000, -0.0005214000000000 ] - [ 0.0001298700000000, 0.0004888900000000, 0.0004664200000000 ] - [ -0.0007493600000000, 0.0025823300000000, 0.0008813500000000 ] - [ 0.0008235700000000, 0.0001931800000000, 0.0016908700000000 ] - [ -0.0005111200000000, -0.0002206200000000, 0.0003871200000000 ] - [ 0.0001400000000000, -0.0003217000000000, -0.0008009500000000 ] - [ -0.0000866700000000, 0.0001420900000000, -0.0002704500000000 ] - [ 0.0000345900000000, -0.0015722200000000, -0.0004579100000000 ] - [ -0.0005561100000000, -0.0007061600000000, -0.0001766100000000 ] - [ 0.0001091100000000, -0.0010949300000000, -0.0002770200000000 ] - [ 0.0218962000000000, 0.0043757900000000, 0.0000315400000000 ] - [ -0.0025051700000000, 0.0025925600000000, 0.0022712700000000 ] - [ 0.0007164300000000, 0.0006966500000000, 0.0005099100000000 ] - [ -0.0009260100000000, 0.0002122500000000, -0.0013762600000000 ] - [ -0.0006730600000000, -0.0003151700000000, 0.0000099600000000 ] - [ 0.0013161800000000, 0.0203758100000000, -0.0145401900000000 ] - [ 0.0001191900000000, 0.0003114900000000, -0.0003985000000000 ] - [ 0.0004285900000000, 0.0007545600000000, 0.0007336600000000 ] - [ -0.0004588200000000, 0.0010887100000000, -0.0005495400000000 ] - [ 0.0010541200000000, 0.0016099400000000, 0.0017526300000000 ] - [ -0.0001596600000000, 0.0008047900000000, 0.0001266000000000 ] - [ 0.0000478700000000, -0.0022108600000000, -0.0009604100000000 ] - [ 0.0005196800000000, -0.0015374500000000, 0.0007101800000000 ] - [ -0.0058523800000000, 0.0314836900000000, 0.0136984700000000 ] - [ 0.0004990800000000, -0.0006515000000000, -0.0000564300000000 ] - [ 0.0010162500000000, 0.0001132600000000, -0.0002107600000000 ] - [ -0.0013466400000000, 0.0012564100000000, -0.0019994400000000 ] - [ -0.0004177500000000, 0.0015093200000000, 0.0004833400000000 ] - [ -0.0005989900000000, 0.0012104300000000, 0.0001475400000000 ] - [ -0.0004652100000000, -0.0006656500000000, 0.0000133700000000 ] - [ -0.0004468700000000, -0.0002705900000000, 0.0005485300000000 ] - [ -0.0010443100000000, 0.0020918600000000, -0.0007992900000000 ] - [ 0.0005885700000000, 0.0007522900000000, -0.0000330800000000 ] - [ 0.0004280000000000, -0.0003750300000000, -0.0008678000000000 ] - [ -0.0004665900000000, 0.0000673200000000, -0.0004537700000000 ] - [ -0.0033063800000000, 0.0054222300000000, -0.0010179900000000 ] - [ 0.0003244400000000, 0.0003246000000000, -0.0004226700000000 ] - [ 0.0010917300000000, -0.0011707600000000, 0.0000261500000000 ] - [ -0.0011785900000000, -0.0021540000000000, -0.0004325700000000 ] - [ -0.0032659400000000, 0.0032521000000000, 0.0044356100000000 ] - [ 0.0002632000000000, 0.0001118100000000, 0.0005104600000000 ] - [ 0.0011015400000000, -0.0005883300000000, 0.0001339100000000 ] - [ -0.0065381100000000, -0.0006048700000000, -0.0008807100000000 ] - [ -0.0000882200000000, 0.0007440700000000, -0.0004636400000000 ] - [ -0.0002051000000000, 0.0011775100000000, 0.0002708600000000 ] - [ -0.0022168200000000, -0.0040732200000000, 0.0020289600000000 ] - [ 0.0002890800000000, -0.0000534000000000, 0.0005780800000000 ] - [ -0.0045833800000000, -0.0000095100000000, 0.0000513800000000 ] - [ 0.0014396800000000, 0.0008169100000000, 0.0005637300000000 ] - [ 0.0030420700000000, -0.0001846300000000, -0.0013725200000000 ] - [ -0.0006586600000000, 0.0001211600000000, -0.0008871000000000 ] - [ 0.0005767600000000, 0.0018219300000000, -0.0008908300000000 ] - [ 0.0006976500000000, 0.0006218000000000, -0.0002193800000000 ] - [ -0.0001462600000000, 0.0015447400000000, -0.0014927800000000 ] - [ 0.0005790700000000, -0.0000114400000000, 0.0002609300000000 ] - [ 0.0001359200000000, 0.0011692400000000, -0.0005302400000000 ] - [ 0.0000171300000000, 0.0004318800000000, -0.0001634300000000 ] - [ -0.0011810800000000, -0.0005937300000000, 0.0001649700000000 ] - [ 0.0010445600000000, -0.0001488200000000, -0.0007152700000000 ] - [ -0.0007772300000000, 0.0053198500000000, 0.0006586700000000 ] - [ 0.0002196900000000, 0.0002223900000000, -0.0001937000000000 ] - [ 0.0001371100000000, -0.0005857500000000, 0.0000434900000000 ] - [ -0.0001340600000000, -0.0019473900000000, 0.0015696500000000 ] - [ 0.0477491600000000, 0.0674967000000000, -0.0354008000000000 ] - [ -0.0014094800000000, 0.0000749100000000, 0.0002911500000000 ] - [ -0.0013448700000000, -0.0006407200000000, 0.0008800500000000 ] - [ 0.0005058500000000, -0.0034773300000000, 0.0028245300000000 ] - [ -0.0017696700000000, -0.0019118300000000, -0.0007578400000000 ] - [ 0.0014888600000000, -0.0015867800000000, 0.0009970000000000 ] - [ 0.0012260400000000, 0.0012529600000000, -0.0000743500000000 ] - [ 0.0012785500000000, 0.0001324700000000, -0.0014427500000000 ] - [ -0.0008224300000000, 0.0020740800000000, -0.0001670000000000 ] - [ -0.0002923600000000, 0.0005438500000000, 0.0000253900000000 ] - [ 0.0008403200000000, -0.0024463000000000, 0.0003219500000000 ] - [ 0.0006325700000000, -0.0013489800000000, -0.0004449000000000 ] - [ -0.0022264800000000, 0.0009185300000000, -0.0004253500000000 ] - [ 0.0041887200000000, 0.0003749300000000, 0.0032312500000000 ] - [ 0.0149549500000000, -0.0098400800000000, -0.0009356100000000 ] - [ -0.0020112600000000, -0.0002313000000000, 0.0001195500000000 ] - [ -0.0013275600000000, -0.0003522700000000, 0.0025270300000000 ] - [ -0.0008425300000000, 0.0002626400000000, 0.0002959200000000 ] - [ -0.0007676100000000, 0.0025547000000000, -0.0025197200000000 ] - [ 0.0011414900000000, 0.0015857500000000, 0.0007673700000000 ] - [ 0.0614845400000000, 0.1813346000000000, -0.0115356100000000 ] - [ 0.0001812500000000, 0.0009564500000000, -0.0005899600000000 ] - [ 0.0004890900000000, -0.0019494300000000, -0.0009177400000000 ] - [ -0.0001258000000000, -0.0040781800000000, -0.0019846000000000 ] - [ -0.0003484200000000, 0.0012230600000000, -0.0001144700000000 ] - [ 0.0037167900000000, 0.0027291900000000, 0.0027724000000000 ] - [ 0.0002552000000000, -0.0105248500000000, 0.0010087000000000 ] - [ -0.0003743200000000, -0.0003281500000000, 0.0000653900000000 ] - [ -0.0033011300000000, -0.0001574300000000, 0.0034951500000000 ] - [ 0.0001226800000000, 0.0005921800000000, 0.0000166500000000 ] - [ 0.0023297200000000, -0.0023396300000000, 0.0003737200000000 ] - [ -0.0023460400000000, -0.0028205800000000, 0.0009314000000000 ] - [ 0.0049467100000000, 0.0047499700000000, 0.0076417100000000 ] - [ -0.0007583700000000, 0.0017113300000000, -0.0001183800000000 ] - [ 0.0000036100000000, -0.0009391500000000, -0.0007086600000000 ] - [ 0.0003642000000000, 0.0000715200000000, 0.0005710200000000 ] - [ -0.0035051300000000, -0.0127263000000000, 0.0030989400000000 ] - [ 0.0003386300000000, -0.0022083000000000, 0.0003617300000000 ] - [ 0.0000684000000000, 0.0021767500000000, -0.0006267500000000 ] - [ -0.0045192200000000, 0.0018510800000000, -0.0068332400000000 ] - [ 0.0000065300000000, 0.0000057400000000, 0.0006355200000000 ] - [ -0.0007654800000000, -0.0010704200000000, -0.0054024200000000 ] - [ 0.0122847300000000, -0.0073731300000000, -0.0136546000000000 ] - [ -0.0010508600000000, 0.0000877000000000, 0.0000399200000000 ] - [ 0.0005046600000000, -0.0032140000000000, 0.0002308500000000 ] - [ -0.0003630000000000, -0.0011412500000000, -0.0001648000000000 ] - [ -0.0013723800000000, 0.0029202200000000, -0.0018682200000000 ] - [ -0.0013308700000000, 0.0067872900000000, 0.0024860300000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001246200000000, -0.0000182000000000, 0.0000738200000000 ] - [ -0.0011376000000000, -0.0012717400000000, -0.0010403300000000 ] - [ -0.0265683300000000, -0.0455838100000000, 0.0037713800000000 ] - [ 0.0000358700000000, 0.0003042500000000, 0.0000602100000000 ] - [ 0.0001448700000000, -0.0012308900000000, 0.0003630000000000 ] - [ 0.0001976400000000, -0.0006534000000000, -0.0001990000000000 ] - [ -0.0003594200000000, 0.0033350100000000, -0.0013362400000000 ] - [ -0.0005301500000000, 0.0007195100000000, 0.0007471200000000 ] - [ -0.0043369400000000, -0.0004687200000000, 0.0145126100000000 ] - [ 0.0003278500000000, -0.0003206500000000, -0.0005891400000000 ] - [ -0.0004640400000000, -0.0011162600000000, 0.0000637700000000 ] - [ -0.0018162300000000, -0.0027131000000000, -0.0002355200000000 ] - [ -0.0010226000000000, 0.0011483400000000, -0.0005488200000000 ] - [ -0.0001667500000000, 0.0007427800000000, 0.0019720500000000 ] - [ -0.0004182200000000, -0.0005812500000000, 0.0011333000000000 ] - [ 0.0008000700000000, 0.0003564700000000, -0.0003032900000000 ] - [ 0.0004491100000000, -0.0004015900000000, 0.0014005200000000 ] - [ 0.0002990300000000, 0.0000965500000000, -0.0008407400000000 ] - [ -0.0016566100000000, 0.0003282600000000, -0.0028717900000000 ] - [ -0.0004344600000000, 0.0001553600000000, 0.0004283600000000 ] - [ -0.0015516500000000, -0.0020646100000000, 0.0011032600000000 ] - [ -0.0012863300000000, -0.0012012500000000, -0.0000390700000000 ] - [ -0.0024673600000000, 0.0078602300000000, 0.0007778300000000 ] - [ -0.0004159900000000, 0.0013888500000000, -0.0002151700000000 ] - [ 0.1665936600000000, 0.3173757000000000, -0.0690574500000000 ] - [ -0.0002436800000000, 0.0003575900000000, -0.0004543900000000 ] - [ -0.0001341400000000, -0.0005789200000000, 0.0005070200000000 ] - [ 0.0007433400000000, -0.0026621500000000, 0.0000995200000000 ] - [ -0.0008290700000000, -0.0000868500000000, -0.0007167800000000 ] - [ 0.0005137000000000, 0.0003178300000000, 0.0005811600000000 ] - [ -0.0001322100000000, 0.0004024900000000, -0.0001793100000000 ] - [ 0.0000905600000000, -0.0000529900000000, -0.0007023300000000 ] - [ -0.0011102200000000, 0.0017450700000000, 0.0007701700000000 ] - [ -0.0005210900000000, 0.0008830500000000, 0.0004916600000000 ] - [ -0.0006149400000000, 0.0002319000000000, -0.0003377800000000 ] - [ -0.0221638700000000, -0.0052177200000000, -0.0006148900000000 ] - [ 0.0030559100000000, -0.0017516300000000, -0.0016692800000000 ] - [ -0.0001924200000000, 0.0001574500000000, 0.0001112100000000 ] - [ 0.0003922600000000, 0.0006323000000000, 0.0007480600000000 ] - [ 0.0001410400000000, 0.0011535000000000, -0.0006303000000000 ] - [ -0.0015435400000000, -0.0190634700000000, 0.0133144300000000 ] - [ -0.0003721300000000, 0.0006690500000000, -0.0005682500000000 ] - [ -0.0001690600000000, 0.0002377000000000, 0.0002310400000000 ] - [ 0.0007133400000000, -0.0000889100000000, 0.0015213200000000 ] - [ -0.0008036500000000, -0.0025910200000000, -0.0007877100000000 ] - [ 0.0004242000000000, -0.0017870300000000, 0.0008455500000000 ] - [ -0.0003063600000000, 0.0012048300000000, -0.0000323100000000 ] - [ -0.0007754300000000, 0.0005435800000000, -0.0016717800000000 ] - [ 0.0056246600000000, -0.0316435500000000, -0.0132134900000000 ] - [ -0.0006899300000000, -0.0000640000000000, 0.0002077100000000 ] - [ -0.0008064900000000, -0.0008129500000000, 0.0000522900000000 ] - [ 0.0015441800000000, -0.0019598100000000, 0.0018533000000000 ] - [ 0.0006118800000000, -0.0007923600000000, -0.0006370700000000 ] - [ 0.0008038200000000, -0.0005001500000000, -0.0003029600000000 ] - [ 0.0002662300000000, 0.0013684600000000, 0.0001322000000000 ] - [ 0.0002443800000000, 0.0009728400000000, -0.0003868700000000 ] - [ 0.0013991900000000, -0.0014252200000000, 0.0013580300000000 ] - [ -0.0002144100000000, -0.0000931500000000, 0.0005995800000000 ] - [ -0.0007845500000000, 0.0010351100000000, 0.0002857800000000 ] - [ 0.0000943600000000, 0.0005941800000000, -0.0001136300000000 ] - [ 0.0029104500000000, -0.0060594400000000, 0.0004438800000000 ] - [ -0.0006884000000000, -0.0009837000000000, -0.0001452200000000 ] - [ -0.0006990400000000, 0.0005207700000000, 0.0005245600000000 ] - [ 0.0015305400000000, 0.0014947200000000, 0.0010032600000000 ] - [ 0.0031717300000000, -0.0036978200000000, -0.0038801000000000 ] - [ -0.0003220600000000, -0.0005791400000000, 0.0000060500000000 ] - [ -0.0010174400000000, 0.0001427900000000, -0.0006396100000000 ] - [ 0.0066158900000000, 0.0001504100000000, 0.0003717800000000 ] - [ 0.0001481100000000, -0.0002770100000000, -0.0000589600000000 ] - [ 0.0002674000000000, -0.0007075300000000, -0.0007827600000000 ] - [ 0.0021277300000000, 0.0045450900000000, -0.0014835100000000 ] - [ -0.0003382000000000, 0.0005234000000000, -0.0000521200000000 ] - [ 0.0034668300000000, -0.0002011200000000, 0.0002724300000000 ] - [ -0.0025056800000000, -0.0009996200000000, -0.0002413400000000 ] - [ -0.0019628500000000, 0.0000296900000000, 0.0010596700000000 ] - [ 0.0017348900000000, -0.0003021500000000, 0.0005702600000000 ] - [ 0.0004967100000000, -0.0016300900000000, 0.0005588700000000 ] - [ 0.0003827800000000, -0.0004341500000000, -0.0000998300000000 ] - [ 0.0006752600000000, -0.0023781400000000, 0.0021214700000000 ] - [ -0.0000476300000000, -0.0008339500000000, 0.0003583300000000 ] - [ 0.0000469300000000, -0.0008892800000000, 0.0001565900000000 ] - [ 0.0001629600000000, -0.0001625900000000, -0.0002047900000000 ] - [ 0.0009908900000000, 0.0008417300000000, 0.0002089700000000 ] - [ -0.0012185000000000, 0.0004126400000000, 0.0010787900000000 ] - [ 0.0009494500000000, -0.0055803700000000, -0.0010191400000000 ] - [ -0.0000365400000000, -0.0004850000000000, -0.0001752500000000 ] - [ -0.0003108000000000, 0.0003145500000000, 0.0003200800000000 ] - [ -0.0000511400000000, 0.0016605500000000, -0.0011952800000000 ] - [ -0.0513287600000000, -0.0699164200000000, 0.0379388800000000 ] - [ -0.0000238600000000, -0.0017213000000000, 0.0006105500000000 ] - [ -0.0001332300000000, 0.0012486300000000, 0.0005335600000000 ] - [ -0.0019718600000000, 0.0040696700000000, -0.0014280900000000 ] - [ 0.0003055300000000, 0.0012770800000000, 0.0021678900000000 ] - [ -0.0029758800000000, 0.0009608000000000, 0.0004104700000000 ] - [ 0.0002506400000000, -0.0018478900000000, -0.0013136600000000 ] - [ 0.0001992400000000, -0.0007421500000000, 0.0000268300000000 ] - [ -0.0001761900000000, -0.0026552600000000, 0.0007955700000000 ] - [ -0.0006969800000000, -0.0011370300000000, 0.0005871600000000 ] - [ 0.0001593200000000, 0.0018407000000000, -0.0009326600000000 ] - [ 0.0003537800000000, 0.0007489800000000, -0.0001795600000000 ] - [ 0.0031910200000000, -0.0003581900000000, -0.0001891100000000 ] - [ -0.0031959200000000, 0.0002088600000000, -0.0038637900000000 ] - [ -0.0158196200000000, 0.0103938700000000, 0.0015476800000000 ] - [ 0.0010079200000000, 0.0008298000000000, 0.0005018700000000 ] - [ -0.0001006400000000, 0.0019990700000000, -0.0016037000000000 ] - [ -0.0005795500000000, 0.0013852800000000, 0.0006052400000000 ] - [ 0.0022029800000000, -0.0009414600000000, 0.0016049700000000 ] - [ 0.0002768700000000, 0.0000612400000000, -0.0016491700000000 ] - [ -0.0545658800000000, -0.1696820800000000, 0.0089522800000000 ] - [ 0.0012693500000000, -0.0003313900000000, -0.0008176100000000 ] - [ 0.0009395200000000, 0.0003063200000000, 0.0000112700000000 ] - [ 0.0015331500000000, 0.0024141600000000, 0.0010685900000000 ] - [ 0.0006118100000000, -0.0007602500000000, -0.0000215200000000 ] - [ -0.0033921700000000, -0.0022565300000000, -0.0028761400000000 ] - [ -0.0005337200000000, 0.0109350100000000, -0.0008487000000000 ] - [ 0.0000976500000000, 0.0007910600000000, 0.0000804700000000 ] - [ 0.0029807200000000, -0.0003332100000000, -0.0032911200000000 ] - [ -0.0003952800000000, -0.0010552700000000, 0.0001275000000000 ] - [ -0.0020329600000000, 0.0018850000000000, -0.0005203400000000 ] - [ 0.0026001100000000, 0.0023522900000000, -0.0010752800000000 ] - [ -0.0052130300000000, -0.0028012700000000, -0.0083038100000000 ] - [ 0.0004326900000000, 0.0001934900000000, -0.0005937400000000 ] - [ 0.0003141500000000, 0.0028203000000000, 0.0014425600000000 ] - [ -0.0000434800000000, 0.0018141400000000, 0.0001441800000000 ] - [ 0.0038459100000000, 0.0108004000000000, -0.0024079900000000 ] - [ -0.0000268500000000, 0.0003037200000000, 0.0003510300000000 ] - [ -0.0004280500000000, -0.0039909600000000, -0.0000521800000000 ] - [ 0.0041860700000000, -0.0037251000000000, 0.0060864300000000 ] - [ 0.0004127400000000, 0.0002653700000000, -0.0009764600000000 ] - [ 0.0011791500000000, 0.0013405400000000, 0.0050039100000000 ] - [ -0.0126604400000000, 0.0072970200000000, 0.0138921700000000 ] - [ 0.0006131200000000, 0.0001686500000000, 0.0003094100000000 ] - [ -0.0009207800000000, 0.0029314800000000, 0.0001176600000000 ] - [ -0.0000617900000000, 0.0008700700000000, 0.0005165200000000 ] - [ 0.0017448500000000, -0.0031848800000000, 0.0014329900000000 ] - [ 0.0017417400000000, -0.0070285000000000, -0.0028216500000000 ]- atom: 25 displacement: [ -0.0050436217710434, 0.0000000000000000, 0.0086349220859633 ] forces: - [ -0.0010338400000000, 0.0009731900000000, 0.0006030000000000 ] - [ 0.0007881500000000, -0.0005445400000000, -0.0008276200000000 ] - [ -0.0020523300000000, -0.0137776200000000, -0.0065506500000000 ] - [ -0.0006374100000000, 0.0002489900000000, 0.0001575100000000 ] - [ -0.0003912000000000, -0.0003250200000000, 0.0008498100000000 ] - [ 0.0003984700000000, -0.0002388400000000, -0.0002017700000000 ] - [ 0.0041395300000000, 0.0014125600000000, 0.0011779700000000 ] - [ -0.0015370300000000, 0.0003147500000000, 0.0015690600000000 ] - [ -0.0069968200000000, -0.0127962000000000, 0.0223776700000000 ] - [ 0.0000395500000000, -0.0004727300000000, -0.0004316600000000 ] - [ -0.0009595900000000, -0.0006233500000000, -0.0000428400000000 ] - [ -0.0005656300000000, -0.0014798600000000, -0.0009120800000000 ] - [ -0.0003046400000000, 0.0008737100000000, 0.0010648700000000 ] - [ -0.0003218000000000, 0.0004341300000000, 0.0037462900000000 ] - [ 0.0000151100000000, 0.0000534800000000, 0.0007926500000000 ] - [ 0.0006047000000000, 0.0006090300000000, -0.0005331700000000 ] - [ 0.0003038100000000, -0.0004061100000000, 0.0011204500000000 ] - [ 0.0007633800000000, 0.0002298300000000, -0.0000464700000000 ] - [ 0.0005678900000000, 0.0008255600000000, 0.0013793300000000 ] - [ -0.0008749800000000, 0.0001299700000000, 0.0006728000000000 ] - [ -0.0011742100000000, -0.0006451100000000, 0.0005232800000000 ] - [ -0.0006279900000000, -0.0003398900000000, -0.0001622900000000 ] - [ -0.0220734500000000, -0.0013786800000000, 0.0004475600000000 ] - [ -0.0011860800000000, 0.0005976900000000, -0.0011879200000000 ] - [ 0.1871219100000000, 0.1463497200000000, -0.1445340000000000 ] - [ -0.0009963300000000, -0.0002001900000000, -0.0002397100000000 ] - [ -0.0005080000000000, 0.0000374300000000, 0.0008070500000000 ] - [ 0.0008534400000000, -0.0007652900000000, -0.0000258000000000 ] - [ 0.0008057700000000, 0.0006672700000000, -0.0005873100000000 ] - [ -0.0011776600000000, 0.0002189800000000, 0.0014863000000000 ] - [ -0.0006708900000000, 0.0003861300000000, 0.0005843600000000 ] - [ 0.0003619200000000, -0.0001851700000000, -0.0007200700000000 ] - [ -0.0002547200000000, 0.0005979600000000, 0.0023710500000000 ] - [ -0.0002692400000000, 0.0007411400000000, 0.0010684500000000 ] - [ -0.0020226700000000, 0.0002872800000000, -0.0009990500000000 ] - [ -0.0195235300000000, -0.0129429200000000, -0.0080150100000000 ] - [ -0.0009374500000000, 0.0013537700000000, 0.0014434100000000 ] - [ 0.0003692000000000, 0.0002981200000000, 0.0000663100000000 ] - [ 0.0003681400000000, 0.0002554300000000, 0.0006374800000000 ] - [ -0.0003878100000000, 0.0007992000000000, 0.0007437500000000 ] - [ 0.0013474700000000, -0.0181129900000000, 0.0042925700000000 ] - [ -0.0007061300000000, 0.0007178700000000, -0.0006340800000000 ] - [ -0.0000193600000000, 0.0004738000000000, 0.0012741800000000 ] - [ 0.0010705400000000, -0.0004185800000000, 0.0008064600000000 ] - [ -0.0001192400000000, -0.0009451300000000, -0.0005217500000000 ] - [ -0.0003446800000000, -0.0005319500000000, 0.0004220900000000 ] - [ -0.0008278300000000, 0.0010617900000000, 0.0020541400000000 ] - [ -0.0004830600000000, -0.0000431400000000, -0.0016174800000000 ] - [ 0.0026995700000000, 0.0130042000000000, -0.0011002600000000 ] - [ -0.0010371100000000, -0.0000188600000000, 0.0002950900000000 ] - [ -0.0011008700000000, -0.0010375500000000, 0.0003685400000000 ] - [ 0.0019268700000000, -0.0001062200000000, -0.0012991800000000 ] - [ 0.0006592700000000, -0.0000773400000000, -0.0004198800000000 ] - [ -0.0004947800000000, 0.0006427900000000, 0.0005656900000000 ] - [ -0.0016863600000000, -0.0009596300000000, 0.0028185600000000 ] - [ 0.0006535100000000, 0.0007129700000000, -0.0004223500000000 ] - [ 0.0015211400000000, -0.0007107800000000, 0.0004307000000000 ] - [ -0.0003896800000000, 0.0001879100000000, 0.0007743500000000 ] - [ -0.0016398600000000, 0.0012278700000000, 0.0035821600000000 ] - [ 0.0006246200000000, 0.0003361000000000, -0.0003124600000000 ] - [ 0.0005274500000000, -0.0000922200000000, -0.0022001700000000 ] - [ -0.0008275300000000, -0.0006151400000000, -0.0001704500000000 ] - [ -0.0021629400000000, -0.0007119600000000, 0.0018312200000000 ] - [ 0.0019768300000000, 0.0000399600000000, -0.0012231500000000 ] - [ -0.0002503300000000, 0.0002613600000000, 0.0010769800000000 ] - [ -0.0003480000000000, -0.0004331200000000, 0.0000635600000000 ] - [ -0.0019699600000000, -0.0012752900000000, -0.0014443600000000 ] - [ -0.0024226400000000, 0.0026281300000000, -0.0025982000000000 ] - [ 0.0001853200000000, 0.0001247500000000, 0.0001028200000000 ] - [ 0.0000518400000000, 0.0002568900000000, 0.0003591300000000 ] - [ -0.0061270700000000, 0.0023370700000000, 0.0093231500000000 ] - [ -0.0006598000000000, 0.0001155800000000, -0.0003701100000000 ] - [ -0.0005145100000000, 0.0016727000000000, -0.0007120200000000 ] - [ -0.0022548800000000, -0.0010266600000000, -0.0004307300000000 ] - [ -0.0008558900000000, -0.0014762200000000, -0.0002490100000000 ] - [ 0.0004630200000000, 0.0000485600000000, -0.0010202700000000 ] - [ 0.0008900300000000, -0.0002053500000000, 0.0004313300000000 ] - [ 0.0002940000000000, -0.0000976700000000, 0.0000203800000000 ] - [ 0.0007945700000000, -0.0016395000000000, 0.0006115200000000 ] - [ -0.0002050000000000, -0.0005175200000000, 0.0003381000000000 ] - [ -0.0004856400000000, -0.0007506300000000, 0.0006981300000000 ] - [ 0.0003045000000000, 0.0001126900000000, -0.0003432900000000 ] - [ 0.0010196300000000, 0.0004724500000000, -0.0006878800000000 ] - [ -0.0013198900000000, -0.0003753500000000, 0.0010423900000000 ] - [ 0.0018296400000000, -0.0005946300000000, -0.0016736300000000 ] - [ -0.0002242600000000, -0.0003062800000000, -0.0001076200000000 ] - [ -0.0008700800000000, -0.0000394800000000, 0.0009188600000000 ] - [ 0.0013050300000000, 0.0008175500000000, 0.0000257800000000 ] - [ -0.1029533700000000, -0.0592608400000000, 0.0924227700000000 ] - [ 0.0012181000000000, -0.0014061200000000, 0.0003712200000000 ] - [ 0.0001711900000000, 0.0005835800000000, -0.0002264700000000 ] - [ -0.0027501900000000, 0.0018957700000000, 0.0012243000000000 ] - [ -0.0010719100000000, -0.0001750700000000, 0.0019707200000000 ] - [ 0.0006790500000000, -0.0008025200000000, 0.0001242300000000 ] - [ 0.0015918500000000, -0.0010734100000000, -0.0043200500000000 ] - [ -0.0001654800000000, -0.0001639400000000, -0.0000333900000000 ] - [ -0.0001138200000000, 0.0005435000000000, -0.0073549500000000 ] - [ -0.0013443200000000, -0.0007070800000000, 0.0007896800000000 ] - [ -0.0002644600000000, 0.0003348400000000, -0.0008339600000000 ] - [ 0.0010271000000000, -0.0002423900000000, -0.0011168000000000 ] - [ 0.0038748300000000, 0.0020225800000000, -0.0006310200000000 ] - [ -0.0010475600000000, -0.0009234300000000, 0.0039902300000000 ] - [ 0.0014137900000000, -0.0021646700000000, 0.0012672100000000 ] - [ 0.0010150700000000, 0.0006003500000000, 0.0005369400000000 ] - [ 0.0001929000000000, 0.0012846400000000, -0.0015455300000000 ] - [ -0.0011237800000000, 0.0009323500000000, 0.0007571600000000 ] - [ -0.0011980500000000, -0.0011073900000000, -0.0008809000000000 ] - [ 0.0015507600000000, 0.0006355100000000, -0.0034652700000000 ] - [ -0.0334538200000000, -0.0396782100000000, 0.0317005400000000 ] - [ 0.0027131800000000, 0.0000270800000000, -0.0008046200000000 ] - [ 0.0016477400000000, -0.0009617000000000, -0.0003440100000000 ] - [ 0.0000351100000000, -0.0000251000000000, 0.0010893100000000 ] - [ 0.0012799700000000, -0.0000252200000000, -0.0022479500000000 ] - [ -0.0065255900000000, -0.0005738400000000, -0.0051220500000000 ] - [ -0.0012914600000000, 0.0049314200000000, 0.0013979100000000 ] - [ 0.0005483200000000, 0.0002618500000000, 0.0000895900000000 ] - [ 0.0063630400000000, 0.0017999300000000, -0.0066811900000000 ] - [ -0.0007632200000000, -0.0006358700000000, 0.0004767300000000 ] - [ -0.0006151200000000, -0.0001320000000000, 0.0016142700000000 ] - [ 0.0018673200000000, 0.0017117000000000, -0.0006066500000000 ] - [ -0.0046725600000000, 0.0017003800000000, -0.0061202200000000 ] - [ 0.0009249300000000, 0.0007665100000000, -0.0015091900000000 ] - [ 0.0006426700000000, 0.0007124100000000, -0.0016723200000000 ] - [ -0.0003165100000000, 0.0014465000000000, 0.0000173200000000 ] - [ 0.0003749000000000, 0.0031006000000000, 0.0009940800000000 ] - [ 0.0009630300000000, -0.0009182700000000, 0.0006843500000000 ] - [ 0.0041234600000000, -0.0056080000000000, -0.0032085700000000 ] - [ 0.0010475700000000, -0.0015699100000000, 0.0064110200000000 ] - [ 0.0009921100000000, 0.0002057500000000, -0.0014725200000000 ] - [ -0.0009631800000000, -0.0006100000000000, -0.0009970100000000 ] - [ -0.0052656900000000, -0.0109671200000000, 0.0035773900000000 ] - [ 0.0013044300000000, 0.0004780500000000, 0.0004720300000000 ] - [ 0.0003960900000000, 0.0004109200000000, -0.0012940900000000 ] - [ -0.0004194000000000, 0.0001603500000000, 0.0003837200000000 ] - [ 0.0011092400000000, -0.0007398100000000, 0.0076316300000000 ] - [ 0.0074385400000000, -0.0017822200000000, -0.0021481600000000 ]- atom: 25 displacement: [ 0.0050436217710434, 0.0000000000000000, -0.0086349220859633 ] forces: - [ 0.0007173600000000, -0.0008839400000000, -0.0004842600000000 ] - [ -0.0011101200000000, 0.0006220400000000, 0.0009394800000000 ] - [ 0.0023804000000000, 0.0138187800000000, 0.0063381800000000 ] - [ 0.0009508800000000, -0.0001652000000000, -0.0002742600000000 ] - [ 0.0007076900000000, 0.0002376900000000, -0.0009655900000000 ] - [ -0.0000816300000000, 0.0001523600000000, 0.0000823200000000 ] - [ -0.0044657700000000, -0.0014890800000000, -0.0010625700000000 ] - [ 0.0012163900000000, -0.0003931700000000, -0.0014414400000000 ] - [ 0.0080952300000000, 0.0112598500000000, -0.0225413800000000 ] - [ 0.0011647500000000, -0.0008164500000000, -0.0001661900000000 ] - [ -0.0002471500000000, -0.0006674800000000, 0.0006379500000000 ] - [ -0.0006488200000000, 0.0001801000000000, 0.0015066600000000 ] - [ -0.0009058600000000, 0.0004173900000000, -0.0004693200000000 ] - [ -0.0008819000000000, 0.0008549200000000, -0.0031253900000000 ] - [ 0.0011899700000000, 0.0012318700000000, -0.0013793200000000 ] - [ 0.0006053700000000, 0.0006807100000000, -0.0000624200000000 ] - [ 0.0008755900000000, 0.0006879500000000, -0.0015617000000000 ] - [ 0.0004154300000000, 0.0000539200000000, -0.0004056800000000 ] - [ -0.0017493800000000, -0.0005445000000000, -0.0009316000000000 ] - [ -0.0003018900000000, 0.0001510000000000, -0.0002203600000000 ] - [ -0.0000021400000000, 0.0003583200000000, -0.0000750500000000 ] - [ -0.0005560600000000, 0.0000528700000000, 0.0006093300000000 ] - [ 0.0229324800000000, 0.0010732800000000, -0.0009301800000000 ] - [ 0.0023556100000000, -0.0008739000000000, 0.0007386100000000 ] - [ -0.1808291400000000, -0.1415059300000000, 0.1392240100000000 ] - [ 0.0009964600000000, 0.0001089600000000, -0.0007336300000000 ] - [ 0.0005039800000000, -0.0001312500000000, 0.0001677900000000 ] - [ -0.0008538600000000, 0.0006622400000000, 0.0009968700000000 ] - [ -0.0008095700000000, -0.0005776400000000, 0.0015606900000000 ] - [ 0.0011719900000000, -0.0001296800000000, -0.0005042300000000 ] - [ 0.0006741600000000, -0.0002871500000000, -0.0015564100000000 ] - [ -0.0003572200000000, 0.0002779300000000, -0.0002560900000000 ] - [ -0.0008291200000000, -0.0004059500000000, -0.0020499300000000 ] - [ -0.0008060400000000, -0.0005496800000000, -0.0007428400000000 ] - [ 0.0014874600000000, -0.0011286000000000, 0.0003768300000000 ] - [ 0.0190189600000000, 0.0121646300000000, 0.0075454800000000 ] - [ 0.0014651500000000, -0.0005085500000000, -0.0008213200000000 ] - [ 0.0001594900000000, 0.0005478600000000, 0.0005535700000000 ] - [ -0.0008936100000000, 0.0005941600000000, -0.0012530000000000 ] - [ -0.0001343300000000, 0.0000570900000000, -0.0013628100000000 ] - [ -0.0016437200000000, 0.0191944300000000, -0.0052188700000000 ] - [ 0.0004446700000000, 0.0002710400000000, -0.0003372500000000 ] - [ 0.0002764000000000, 0.0005097800000000, -0.0003028600000000 ] - [ -0.0008040000000000, 0.0013947200000000, 0.0001659100000000 ] - [ 0.0003802500000000, -0.0000470500000000, 0.0014932400000000 ] - [ 0.0006028000000000, -0.0004588900000000, 0.0005509300000000 ] - [ 0.0005648300000000, -0.0020325100000000, -0.0030167400000000 ] - [ 0.0002214900000000, -0.0009398900000000, 0.0006402200000000 ] - [ -0.0028147700000000, -0.0138167400000000, 0.0011690500000000 ] - [ 0.0008323100000000, -0.0006874600000000, -0.0001394600000000 ] - [ 0.0012950900000000, 0.0003238800000000, -0.0005208200000000 ] - [ -0.0017184200000000, -0.0006050900000000, 0.0011413100000000 ] - [ -0.0004570500000000, 0.0007829700000000, 0.0002656100000000 ] - [ 0.0006954900000000, 0.0000633400000000, -0.0007186100000000 ] - [ 0.0014901600000000, 0.0016789300000000, -0.0026627300000000 ] - [ -0.0008502900000000, 0.0000001400000000, 0.0005721300000000 ] - [ -0.0011482300000000, 0.0013664800000000, 0.0001422400000000 ] - [ 0.0007563000000000, 0.0004707200000000, -0.0002035300000000 ] - [ 0.0012605200000000, -0.0005687100000000, -0.0041473700000000 ] - [ -0.0009873200000000, 0.0003233800000000, -0.0002561200000000 ] - [ -0.0008810900000000, -0.0005887100000000, 0.0016395400000000 ] - [ 0.0004549800000000, -0.0000469200000000, -0.0003968600000000 ] - [ 0.0025205000000000, 0.0000518600000000, -0.0012596000000000 ] - [ -0.0016035200000000, -0.0006910900000000, 0.0017792100000000 ] - [ 0.0002112400000000, -0.0007486100000000, -0.0005882600000000 ] - [ 0.0002839100000000, -0.0000344200000000, 0.0004515000000000 ] - [ 0.0020218100000000, 0.0008006900000000, 0.0009220200000000 ] - [ 0.0024895500000000, -0.0030903200000000, 0.0020923400000000 ] - [ -0.0001235100000000, 0.0003409500000000, -0.0006176700000000 ] - [ 0.0000109300000000, 0.0002059000000000, -0.0008787600000000 ] - [ 0.0061592300000000, -0.0019002700000000, -0.0089068000000000 ] - [ 0.0005939000000000, 0.0003505200000000, 0.0008833000000000 ] - [ -0.0005351300000000, -0.0018508400000000, 0.0010308800000000 ] - [ 0.0011672000000000, 0.0008375000000000, 0.0007481500000000 ] - [ 0.0019295400000000, 0.0012799600000000, -0.0000795800000000 ] - [ 0.0006146400000000, -0.0002324200000000, 0.0006997600000000 ] - [ 0.0001871800000000, 0.0003843400000000, -0.0007464600000000 ] - [ 0.0007820800000000, 0.0002793400000000, -0.0003395100000000 ] - [ -0.0002663400000000, 0.0007774100000000, 0.0000059500000000 ] - [ 0.0007293700000000, -0.0003328600000000, 0.0002814400000000 ] - [ 0.0006652000000000, 0.0010052500000000, -0.0010636200000000 ] - [ -0.0001225100000000, 0.0001523800000000, -0.0000261400000000 ] - [ -0.0011944800000000, -0.0002008700000000, 0.0010559800000000 ] - [ 0.0011300200000000, 0.0006416500000000, -0.0006654900000000 ] - [ -0.0016498000000000, 0.0003185100000000, 0.0013062600000000 ] - [ 0.0004040000000000, 0.0000380700000000, -0.0002604200000000 ] - [ 0.0006862000000000, -0.0002238600000000, -0.0005482300000000 ] - [ -0.0014811700000000, -0.0010704500000000, 0.0003327200000000 ] - [ 0.0956394500000000, 0.0529782400000000, -0.0877910700000000 ] - [ -0.0026294600000000, -0.0002459100000000, 0.0005321300000000 ] - [ -0.0016381600000000, 0.0000400000000000, 0.0016330400000000 ] - [ 0.0012674100000000, -0.0012556900000000, 0.0001895400000000 ] - [ -0.0004013900000000, -0.0004355200000000, -0.0005619100000000 ] - [ -0.0021504200000000, 0.0001920000000000, 0.0012792500000000 ] - [ -0.0001244700000000, 0.0004390500000000, 0.0029035400000000 ] - [ 0.0016358500000000, -0.0004561300000000, -0.0013679100000000 ] - [ -0.0008680400000000, -0.0011573900000000, 0.0079863800000000 ] - [ 0.0003492500000000, 0.0001070300000000, -0.0001642700000000 ] - [ 0.0012545600000000, -0.0009255900000000, 0.0002087900000000 ] - [ -0.0000349900000000, -0.0003502600000000, 0.0004958300000000 ] - [ -0.0028681900000000, -0.0014138800000000, 0.0000087900000000 ] - [ 0.0020376900000000, 0.0015070700000000, -0.0046015900000000 ] - [ -0.0025059400000000, 0.0028157300000000, -0.0006400800000000 ] - [ -0.0019954300000000, -0.0000014500000000, 0.0000870700000000 ] - [ -0.0016106300000000, 0.0003651900000000, 0.0024364500000000 ] - [ -0.0002966900000000, 0.0007177700000000, 0.0001466200000000 ] - [ 0.0026227200000000, 0.0027517000000000, -0.0000188100000000 ] - [ -0.0001319500000000, 0.0010120600000000, 0.0025443500000000 ] - [ 0.0347459700000000, 0.0403815300000000, -0.0327582800000000 ] - [ -0.0012317000000000, 0.0005867300000000, -0.0006033800000000 ] - [ -0.0002296000000000, -0.0006859500000000, -0.0005556900000000 ] - [ 0.0013923000000000, -0.0016088600000000, -0.0019835000000000 ] - [ -0.0009943200000000, 0.0004872200000000, 0.0020996200000000 ] - [ 0.0067391300000000, 0.0010185900000000, 0.0049442900000000 ] - [ 0.0010155400000000, -0.0044327200000000, -0.0012621000000000 ] - [ -0.0008211300000000, 0.0002027100000000, 0.0000575700000000 ] - [ -0.0065872400000000, -0.0022446600000000, 0.0067932000000000 ] - [ 0.0004899300000000, 0.0001699300000000, -0.0003239400000000 ] - [ 0.0008788500000000, -0.0003286000000000, -0.0017646800000000 ] - [ -0.0015782600000000, -0.0021612900000000, 0.0004533300000000 ] - [ 0.0043458700000000, 0.0001732400000000, 0.0053833200000000 ] - [ -0.0012397000000000, 0.0011229100000000, 0.0007893500000000 ] - [ -0.0003202100000000, 0.0011956500000000, 0.0023834200000000 ] - [ 0.0006316800000000, 0.0004564900000000, 0.0006955900000000 ] - [ -0.0000604500000000, -0.0049792500000000, -0.0002681200000000 ] - [ -0.0006400700000000, -0.0009741200000000, 0.0000311300000000 ] - [ -0.0044278900000000, 0.0036786100000000, 0.0024869700000000 ] - [ -0.0013350400000000, -0.0003319100000000, -0.0070833200000000 ] - [ -0.0005642500000000, 0.0000580000000000, 0.0011164700000000 ] - [ 0.0013924100000000, 0.0008777700000000, 0.0006774100000000 ] - [ 0.0048773300000000, 0.0111301600000000, -0.0032963700000000 ] - [ -0.0017218200000000, -0.0002088100000000, -0.0001184500000000 ] - [ -0.0008257200000000, -0.0006600900000000, 0.0016518900000000 ] - [ -0.0000028000000000, -0.0004226100000000, -0.0000275600000000 ] - [ -0.0006801400000000, 0.0004662400000000, -0.0079515900000000 ] - [ -0.0070014900000000, 0.0014851600000000, 0.0017585000000000 ]- atom: 33 displacement: [ 0.0099999999206514, 0.0000000000000000, 0.0000012597509720 ] forces: - [ -0.0012641800000000, 0.0000963100000000, 0.0001922000000000 ] - [ 0.0004343500000000, -0.0000114000000000, 0.0000562000000000 ] - [ -0.0008355500000000, 0.0002373600000000, -0.0004904500000000 ] - [ 0.0006588200000000, 0.0001917300000000, 0.0006663900000000 ] - [ -0.0008464900000000, -0.0003928300000000, -0.0000024300000000 ] - [ 0.0009508100000000, -0.0004959000000000, -0.0000914900000000 ] - [ 0.0101477100000000, 0.0049670300000000, -0.0109245700000000 ] - [ 0.0021511200000000, -0.0005217300000000, 0.0005679900000000 ] - [ 0.0016244900000000, -0.0003856200000000, -0.0018892300000000 ] - [ 0.0024762700000000, -0.0006967200000000, 0.0023790600000000 ] - [ -0.0003325600000000, -0.0007983500000000, -0.0000575800000000 ] - [ -0.0008841000000000, -0.0006472100000000, 0.0004419000000000 ] - [ 0.0048380700000000, 0.0059911700000000, 0.0024798100000000 ] - [ 0.0017770500000000, 0.0000252000000000, 0.0001170100000000 ] - [ -0.0006292800000000, 0.0011386100000000, 0.0002685700000000 ] - [ 0.0015865900000000, 0.0003555600000000, -0.0004412900000000 ] - [ -0.0058991400000000, -0.0008620400000000, 0.0002630500000000 ] - [ 0.0022921400000000, 0.0005952700000000, -0.0001640100000000 ] - [ -0.0059135300000000, 0.0042690100000000, -0.0019754800000000 ] - [ 0.0012171100000000, -0.0005160600000000, 0.0005474700000000 ] - [ -0.0011702600000000, -0.0004098100000000, -0.0003943100000000 ] - [ -0.0000998700000000, -0.0001152100000000, 0.0006948200000000 ] - [ -0.0003126900000000, 0.0000749800000000, -0.0019718500000000 ] - [ 0.0020557200000000, -0.0003930900000000, 0.0019048200000000 ] - [ -0.0009897000000000, 0.0005246000000000, -0.0007349300000000 ] - [ 0.0003872000000000, -0.0000648400000000, 0.0000518300000000 ] - [ -0.0003986600000000, -0.0000843200000000, 0.0006645700000000 ] - [ 0.0003554600000000, -0.0002026200000000, 0.0004135200000000 ] - [ 0.0010326300000000, 0.0025468100000000, -0.0005248500000000 ] - [ 0.0008434700000000, -0.0011521700000000, 0.0008965000000000 ] - [ -0.0011030100000000, 0.0040837900000000, -0.0011206700000000 ] - [ 0.0028650000000000, -0.0019215300000000, -0.0007924000000000 ] - [ -0.2977857900000000, 0.1298556100000000, -0.0550415600000000 ] - [ 0.0014735400000000, -0.0001571400000000, 0.0003408100000000 ] - [ 0.0002957100000000, -0.0009063500000000, -0.0013597500000000 ] - [ -0.0012011000000000, 0.0007173500000000, 0.0010014200000000 ] - [ -0.0000773400000000, -0.0007893300000000, 0.0007621500000000 ] - [ 0.0012826700000000, 0.0005350200000000, 0.0003204700000000 ] - [ 0.0100726200000000, -0.0055361300000000, 0.0048390900000000 ] - [ 0.0038071200000000, 0.0026997400000000, -0.0017686600000000 ] - [ -0.0040511600000000, 0.0003941400000000, -0.0041296500000000 ] - [ 0.0007055200000000, 0.0005948700000000, 0.0003819600000000 ] - [ -0.0021322100000000, 0.0023100200000000, -0.0008527900000000 ] - [ 0.0007654900000000, 0.0002570800000000, 0.0007596100000000 ] - [ 0.0000447100000000, -0.0005389200000000, -0.0004219100000000 ] - [ 0.0005892300000000, -0.0009101900000000, 0.0013360800000000 ] - [ 0.0001381900000000, 0.0003774200000000, -0.0060103000000000 ] - [ 0.0020263200000000, 0.0000063600000000, 0.0015407500000000 ] - [ -0.0002398100000000, -0.0001891300000000, -0.0006985100000000 ] - [ 0.0001065900000000, -0.0004305500000000, 0.0006397600000000 ] - [ -0.0002334700000000, -0.0003977200000000, -0.0001003000000000 ] - [ 0.0001169300000000, -0.0005936000000000, 0.0003440900000000 ] - [ 0.0003329400000000, 0.0002486900000000, -0.0000476300000000 ] - [ 0.0006127600000000, -0.0002290700000000, -0.0000072500000000 ] - [ 0.0255010100000000, 0.0048512400000000, -0.0007154000000000 ] - [ 0.0025529800000000, 0.0011598600000000, -0.0000805600000000 ] - [ 0.0005320800000000, -0.0050888000000000, -0.0003841700000000 ] - [ 0.0007739300000000, 0.0007113200000000, 0.0006157300000000 ] - [ 0.0131004800000000, -0.0283033700000000, -0.0093358100000000 ] - [ 0.0013445700000000, 0.0005663400000000, -0.0001678000000000 ] - [ -0.0005084000000000, -0.0005033200000000, -0.0010665600000000 ] - [ 0.0001816400000000, -0.0004268400000000, 0.0002529100000000 ] - [ -0.0033048100000000, -0.0003164700000000, -0.0001141100000000 ] - [ 0.0010997100000000, -0.0001993100000000, 0.0009774300000000 ] - [ 0.0000881700000000, -0.0001594900000000, -0.0007985300000000 ] - [ 0.0003316600000000, -0.0006518600000000, 0.0014439900000000 ] - [ 0.0003733500000000, 0.0004773800000000, -0.0012746600000000 ] - [ 0.0001918700000000, -0.0013882800000000, 0.0023223900000000 ] - [ -0.0003109200000000, -0.0005166800000000, 0.0000259000000000 ] - [ 0.0005724000000000, 0.0003922500000000, -0.0002483900000000 ] - [ 0.0051433800000000, -0.0086961500000000, 0.0148927400000000 ] - [ 0.0014157800000000, 0.0007179900000000, 0.0003664000000000 ] - [ -0.0009027700000000, 0.0000361000000000, -0.0009473100000000 ] - [ -0.0000144300000000, -0.0000205800000000, 0.0009618700000000 ] - [ -0.0003786800000000, -0.0003684800000000, -0.0016303400000000 ] - [ 0.0014332200000000, 0.0000415800000000, 0.0010212700000000 ] - [ -0.0015909300000000, -0.0009536600000000, 0.0004556900000000 ] - [ 0.0014358000000000, 0.0001798600000000, -0.0000180500000000 ] - [ 0.0004877700000000, -0.0005204900000000, -0.0002426400000000 ] - [ 0.0001997200000000, -0.0004157200000000, 0.0008209900000000 ] - [ 0.0008786300000000, -0.0025994500000000, -0.0011950200000000 ] - [ 0.0007062000000000, 0.0005662300000000, -0.0000534500000000 ] - [ 0.0026811000000000, -0.0004558500000000, -0.0019624700000000 ] - [ 0.0007725900000000, 0.0015400400000000, 0.0013628000000000 ] - [ -0.0003733700000000, -0.0009345900000000, -0.0001943400000000 ] - [ 0.0002908900000000, -0.0000898900000000, -0.0001329300000000 ] - [ -0.0030373800000000, -0.0013956500000000, 0.0029019000000000 ] - [ 0.0004837500000000, -0.0000969900000000, -0.0000265500000000 ] - [ 0.0005059300000000, -0.0012052100000000, 0.0024900300000000 ] - [ -0.0022638000000000, -0.0004739800000000, -0.0021113500000000 ] - [ -0.0003798200000000, 0.0001454300000000, 0.0002644600000000 ] - [ -0.0011713600000000, 0.0005505900000000, 0.0005997000000000 ] - [ -0.0020039100000000, -0.0016156700000000, 0.0015394000000000 ] - [ -0.0013607000000000, 0.0016345900000000, -0.0002049300000000 ] - [ -0.0061121100000000, -0.0105161800000000, 0.0114177400000000 ] - [ -0.0070607400000000, -0.0009652800000000, -0.0021131600000000 ] - [ 0.2094917800000000, -0.0819260800000000, 0.0556492200000000 ] - [ -0.0038327800000000, -0.0009732500000000, 0.0000176800000000 ] - [ 0.0022119100000000, 0.0016534600000000, -0.0014144600000000 ] - [ -0.0007794900000000, -0.0003308100000000, -0.0005849200000000 ] - [ 0.0017087500000000, -0.0002368900000000, 0.0007174400000000 ] - [ -0.0002984400000000, 0.0006717600000000, -0.0023681800000000 ] - [ -0.0000810600000000, 0.0003332200000000, 0.0019358200000000 ] - [ -0.0012181300000000, 0.0002630000000000, -0.0011534300000000 ] - [ 0.0035916500000000, -0.0012288400000000, -0.0004412300000000 ] - [ -0.0031530200000000, 0.0014915200000000, 0.0009279700000000 ] - [ -0.0011586700000000, -0.0112075400000000, 0.0042863900000000 ] - [ -0.0023078100000000, 0.0024387300000000, -0.0011311500000000 ] - [ 0.0028848300000000, -0.0018021100000000, 0.0006071600000000 ] - [ -0.0000577900000000, 0.0005052600000000, -0.0015768100000000 ] - [ 0.0015002000000000, -0.0006133500000000, -0.0001391600000000 ] - [ 0.0000904400000000, -0.0008201200000000, -0.0005850800000000 ] - [ 0.0169434500000000, 0.0011187400000000, 0.0039914800000000 ] - [ -0.0024411600000000, 0.0003134600000000, 0.0002479000000000 ] - [ 0.0019923800000000, 0.0014782900000000, 0.0006385400000000 ] - [ -0.0012598500000000, 0.0002255100000000, -0.0002058600000000 ] - [ -0.0045598300000000, 0.0013739400000000, 0.0080303500000000 ] - [ -0.0037170300000000, -0.0013697700000000, -0.0028800200000000 ] - [ -0.0010877900000000, 0.0012472900000000, 0.0022599100000000 ] - [ 0.0000481100000000, -0.0011935600000000, -0.0015101400000000 ] - [ 0.0224782800000000, -0.0078374700000000, -0.0099986000000000 ] - [ -0.0041271800000000, -0.0003616000000000, -0.0015630300000000 ] - [ 0.0057756000000000, 0.0062840800000000, -0.0010589000000000 ] - [ -0.0016603100000000, 0.0010559100000000, 0.0003036100000000 ] - [ 0.0007212000000000, -0.0004166300000000, 0.0017310800000000 ] - [ -0.0005554300000000, -0.0009444800000000, -0.0007794200000000 ] - [ 0.0024734100000000, -0.0016753400000000, 0.0029571400000000 ] - [ -0.0015218900000000, -0.0009337700000000, -0.0023097200000000 ] - [ 0.0033653000000000, 0.0037205100000000, -0.0029203400000000 ] - [ -0.0016920300000000, -0.0006301000000000, 0.0006898800000000 ] - [ 0.0057447600000000, 0.0039969600000000, -0.0016303400000000 ] - [ -0.0016854000000000, -0.0000809400000000, -0.0001705800000000 ] - [ -0.0005086600000000, 0.0001036900000000, 0.0015783500000000 ] - [ -0.0009684800000000, 0.0003983100000000, -0.0008506900000000 ] - [ -0.0035640200000000, -0.0009913700000000, 0.0036834300000000 ] - [ -0.0047547100000000, -0.0005363300000000, -0.0075541300000000 ]- atom: 33 displacement: [ -0.0099999999206514, 0.0000000000000000, -0.0000012597509720 ] forces: - [ 0.0009449300000000, -0.0000173500000000, -0.0000712300000000 ] - [ -0.0007488500000000, 0.0000956400000000, 0.0000597800000000 ] - [ 0.0011546300000000, -0.0001562500000000, 0.0003692000000000 ] - [ -0.0003419100000000, -0.0001059400000000, -0.0007793700000000 ] - [ 0.0011524600000000, 0.0003113700000000, -0.0001135000000000 ] - [ -0.0006338100000000, 0.0004158800000000, -0.0000274800000000 ] - [ -0.0105582500000000, -0.0051007300000000, 0.0111921000000000 ] - [ -0.0024599300000000, 0.0004302400000000, -0.0004418100000000 ] - [ -0.0004175000000000, -0.0009072300000000, 0.0012912700000000 ] - [ -0.0012258800000000, -0.0005967900000000, -0.0029433100000000 ] - [ -0.0008764000000000, -0.0004912800000000, 0.0006572500000000 ] - [ -0.0003248500000000, -0.0006418500000000, 0.0001535200000000 ] - [ -0.0060913500000000, -0.0047598500000000, -0.0019238600000000 ] - [ -0.0029846000000000, 0.0012582500000000, 0.0004758800000000 ] - [ 0.0018296900000000, 0.0001554100000000, -0.0008680900000000 ] - [ -0.0003783600000000, 0.0009364700000000, -0.0001520300000000 ] - [ 0.0070717700000000, 0.0010718900000000, -0.0007197000000000 ] - [ -0.0011117000000000, -0.0003106800000000, -0.0002839500000000 ] - [ 0.0047610500000000, -0.0039423300000000, 0.0023969000000000 ] - [ -0.0023944700000000, 0.0007959600000000, -0.0000973100000000 ] - [ -0.0000113800000000, 0.0001275600000000, 0.0008433700000000 ] - [ -0.0010777000000000, -0.0001658900000000, -0.0002465800000000 ] - [ 0.0014908500000000, -0.0003586800000000, 0.0015256600000000 ] - [ -0.0008697500000000, 0.0001066100000000, -0.0023489100000000 ] - [ 0.0009951400000000, -0.0006202900000000, -0.0002417100000000 ] - [ -0.0003841000000000, -0.0000300200000000, -0.0010209400000000 ] - [ 0.0003936100000000, -0.0000047100000000, 0.0003130200000000 ] - [ -0.0003599200000000, 0.0001119400000000, 0.0005607400000000 ] - [ -0.0010285300000000, -0.0024576600000000, 0.0014969400000000 ] - [ -0.0008535700000000, 0.0012417800000000, 0.0000807600000000 ] - [ 0.0010955700000000, -0.0039664000000000, 0.0001396900000000 ] - [ -0.0028733700000000, 0.0020242700000000, -0.0001812700000000 ] - [ 0.2857088700000000, -0.1238596800000000, 0.0503954000000000 ] - [ -0.0025494400000000, 0.0003391100000000, -0.0000220200000000 ] - [ -0.0008263300000000, 0.0000590300000000, 0.0007445000000000 ] - [ 0.0006745800000000, -0.0015687200000000, -0.0016202500000000 ] - [ 0.0005982700000000, 0.0016422800000000, -0.0001442200000000 ] - [ -0.0007536100000000, 0.0003140600000000, 0.0003005900000000 ] - [ -0.0107289300000000, 0.0064817300000000, -0.0055235900000000 ] - [ -0.0043078400000000, -0.0018345600000000, 0.0011324500000000 ] - [ 0.0038079900000000, 0.0005883900000000, 0.0031674400000000 ] - [ -0.0009620400000000, 0.0003912900000000, -0.0013467600000000 ] - [ 0.0023878900000000, -0.0013077400000000, 0.0018289600000000 ] - [ -0.0005065200000000, 0.0007284800000000, 0.0002090000000000 ] - [ 0.0002148200000000, -0.0004450500000000, 0.0013930900000000 ] - [ -0.0003314700000000, -0.0000737000000000, -0.0003655800000000 ] - [ -0.0004053800000000, -0.0013671600000000, 0.0050046300000000 ] - [ -0.0022892900000000, -0.0009992500000000, -0.0025188100000000 ] - [ 0.0000398600000000, -0.0005204900000000, 0.0008521500000000 ] - [ -0.0003031300000000, -0.0002816800000000, -0.0004804700000000 ] - [ 0.0004325000000000, -0.0003097400000000, -0.0000498700000000 ] - [ 0.0000838000000000, -0.0001144800000000, -0.0005010500000000 ] - [ -0.0001319000000000, 0.0004637900000000, -0.0001081600000000 ] - [ -0.0004160600000000, 0.0009402300000000, -0.0001463500000000 ] - [ -0.0252250300000000, -0.0040963100000000, 0.0009312300000000 ] - [ -0.0027578600000000, -0.0004545500000000, 0.0002363200000000 ] - [ -0.0001700000000000, 0.0057771500000000, 0.0009501000000000 ] - [ -0.0004043300000000, -0.0000480800000000, -0.0000457100000000 ] - [ -0.0134598600000000, 0.0286561000000000, 0.0087192700000000 ] - [ -0.0017117000000000, 0.0000906000000000, -0.0004031300000000 ] - [ 0.0001393500000000, -0.0001542400000000, 0.0004979800000000 ] - [ -0.0005500600000000, -0.0002324100000000, -0.0008201200000000 ] - [ 0.0036615600000000, -0.0003347900000000, 0.0006971000000000 ] - [ -0.0007300700000000, -0.0004619900000000, -0.0004118500000000 ] - [ -0.0001511000000000, -0.0003047900000000, 0.0013123800000000 ] - [ -0.0003889700000000, 0.0001859000000000, -0.0009290900000000 ] - [ -0.0003130500000000, -0.0009464300000000, 0.0007651700000000 ] - [ -0.0001340200000000, 0.0009204200000000, -0.0028442100000000 ] - [ 0.0003795800000000, 0.0009849100000000, -0.0005439300000000 ] - [ -0.0005117500000000, 0.0000779500000000, -0.0002680700000000 ] - [ -0.0052773900000000, 0.0090986000000000, -0.0143166300000000 ] - [ -0.0014789600000000, -0.0002541000000000, 0.0001514400000000 ] - [ -0.0001770400000000, -0.0002215200000000, 0.0012680900000000 ] - [ -0.0010609300000000, -0.0001641300000000, -0.0006409800000000 ] - [ 0.0014526000000000, 0.0001867000000000, 0.0013121900000000 ] - [ -0.0003535700000000, -0.0002255000000000, -0.0013422600000000 ] - [ 0.0026719200000000, 0.0011448800000000, -0.0007779600000000 ] - [ -0.0003580900000000, 0.0000058100000000, -0.0003010900000000 ] - [ 0.0000389800000000, -0.0003272800000000, 0.0008609200000000 ] - [ 0.0003327500000000, -0.0004294600000000, -0.0002002600000000 ] - [ -0.0007003400000000, 0.0028643800000000, 0.0008275600000000 ] - [ -0.0005252500000000, -0.0003004300000000, -0.0003166600000000 ] - [ -0.0028606300000000, 0.0007202600000000, 0.0023250600000000 ] - [ -0.0009497000000000, -0.0012682600000000, -0.0009835700000000 ] - [ 0.0005545200000000, 0.0006713000000000, -0.0001763500000000 ] - [ -0.0001101900000000, -0.0001751400000000, -0.0002345700000000 ] - [ 0.0028770000000000, 0.0010963600000000, -0.0024716100000000 ] - [ -0.0006627700000000, -0.0001701900000000, 0.0003933800000000 ] - [ -0.0019292000000000, -0.0004394200000000, -0.0015856300000000 ] - [ 0.0008397200000000, -0.0011734800000000, 0.0029899800000000 ] - [ -0.0010974100000000, 0.0004634200000000, 0.0011340300000000 ] - [ -0.0003002600000000, 0.0000657700000000, 0.0008112900000000 ] - [ 0.0005276000000000, 0.0009940100000000, -0.0001321800000000 ] - [ -0.0001035700000000, -0.0022535600000000, 0.0016118900000000 ] - [ 0.0075593000000000, 0.0098297900000000, -0.0127250000000000 ] - [ 0.0085598600000000, 0.0003581600000000, 0.0007089700000000 ] - [ -0.1993414200000000, 0.0752851900000000, -0.0507049500000000 ] - [ 0.0028423200000000, 0.0003812200000000, 0.0006034600000000 ] - [ -0.0012329300000000, -0.0022598700000000, 0.0007989900000000 ] - [ 0.0017725800000000, -0.0002709800000000, -0.0000380600000000 ] - [ -0.0007122100000000, 0.0008267500000000, -0.0013508700000000 ] - [ 0.0012875800000000, -0.0000739700000000, 0.0017513500000000 ] - [ -0.0009088800000000, 0.0002628200000000, -0.0013111700000000 ] - [ 0.0002219500000000, 0.0003365000000000, 0.0017752000000000 ] - [ -0.0049668300000000, 0.0028725600000000, 0.0013455700000000 ] - [ 0.0017329900000000, 0.0001518100000000, -0.0000285400000000 ] - [ 0.0025292700000000, 0.0129020400000000, -0.0052039300000000 ] - [ 0.0037274900000000, -0.0007771000000000, 0.0002256400000000 ] - [ -0.0014114300000000, 0.0024269400000000, -0.0020156900000000 ] - [ 0.0015321500000000, 0.0001165800000000, 0.0001595800000000 ] - [ -0.0000758400000000, -0.0010346100000000, -0.0007688200000000 ] - [ 0.0013296000000000, -0.0008310300000000, -0.0003162200000000 ] - [ -0.0167032000000000, -0.0007058400000000, -0.0042380600000000 ] - [ 0.0027129400000000, 0.0001537800000000, -0.0003903300000000 ] - [ -0.0022690400000000, -0.0010230700000000, -0.0004864600000000 ] - [ 0.0009851000000000, 0.0002355000000000, 0.0003489400000000 ] - [ 0.0042987800000000, -0.0018210000000000, -0.0078782800000000 ] - [ 0.0034343600000000, 0.0009073100000000, 0.0030417400000000 ] - [ 0.0013664500000000, -0.0017143200000000, -0.0024136200000000 ] - [ 0.0002280400000000, 0.0007225500000000, 0.0013581800000000 ] - [ -0.0231220800000000, 0.0103519700000000, 0.0098209800000000 ] - [ 0.0037897900000000, 0.0022520100000000, 0.0008367800000000 ] - [ -0.0054397800000000, -0.0044062900000000, 0.0017665300000000 ] - [ 0.0019779500000000, 0.0008402200000000, 0.0004107900000000 ] - [ -0.0004020700000000, -0.0014826400000000, -0.0010153200000000 ] - [ 0.0008720300000000, -0.0009555200000000, 0.0014924200000000 ] - [ -0.0027648400000000, -0.0002161500000000, -0.0036801000000000 ] - [ 0.0012008400000000, -0.0009594700000000, 0.0015990000000000 ] - [ -0.0029760600000000, -0.0034404100000000, 0.0025697800000000 ] - [ 0.0021109100000000, 0.0008901900000000, -0.0010365900000000 ] - [ -0.0061613500000000, -0.0037374200000000, 0.0020123900000000 ] - [ 0.0012621500000000, 0.0003484200000000, 0.0005165400000000 ] - [ 0.0000907400000000, -0.0003770000000000, -0.0012240700000000 ] - [ 0.0005399800000000, -0.0006686400000000, 0.0012066000000000 ] - [ 0.0039943200000000, 0.0007289800000000, -0.0040433300000000 ] - [ 0.0051858500000000, 0.0002900400000000, 0.0071743300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004392500000000, 0.0003963400000000, -0.0010155900000000 ] - [ -0.0001441900000000, 0.0000540100000000, 0.0000584600000000 ] - [ 0.0004790900000000, -0.0001790500000000, -0.0004118500000000 ] - [ 0.0001171300000000, 0.0003338600000000, 0.0004566600000000 ] - [ 0.0016198700000000, 0.0042760900000000, -0.0009296600000000 ] - [ -0.0001096300000000, 0.0006358600000000, -0.0000984000000000 ] - [ 0.0009278900000000, -0.0071627300000000, -0.0014438500000000 ] - [ -0.0003383100000000, -0.0007354700000000, 0.0002959800000000 ] - [ -0.0006216000000000, -0.0014252900000000, 0.0006333100000000 ] - [ 0.0043537200000000, -0.0011587600000000, 0.0030599100000000 ] - [ -0.0009873600000000, -0.0002325600000000, 0.0004689700000000 ] - [ -0.0002040300000000, -0.0003190900000000, 0.0009001100000000 ] - [ 0.0044071000000000, 0.0012151700000000, -0.0001388400000000 ] - [ -0.0020223100000000, 0.0001301300000000, -0.0002341700000000 ] - [ 0.0025990300000000, 0.0020218600000000, 0.0013642500000000 ] - [ -0.0000374500000000, 0.0009973500000000, -0.0002823100000000 ] - [ 0.0048176200000000, 0.0190283700000000, -0.0018131300000000 ] - [ 0.0001756700000000, 0.0000911500000000, -0.0001682800000000 ] - [ 0.0022712200000000, 0.0068684400000000, -0.0053222400000000 ] - [ -0.0010221700000000, 0.0002586800000000, 0.0001632800000000 ] - [ -0.0003909000000000, 0.0005834700000000, 0.0002956100000000 ] - [ -0.0005016000000000, 0.0002925000000000, 0.0000571600000000 ] - [ 0.0006619600000000, -0.0008735500000000, 0.0003254100000000 ] - [ 0.0011285700000000, -0.0007763500000000, -0.0001157800000000 ] - [ -0.0001275400000000, -0.0017079300000000, 0.0000161800000000 ] - [ -0.0004132700000000, -0.0008400500000000, 0.0000173700000000 ] - [ -0.0002654800000000, 0.0016805900000000, 0.0006735700000000 ] - [ -0.0001929400000000, 0.0004826900000000, 0.0005948300000000 ] - [ 0.0012595000000000, -0.0000597400000000, -0.0003697300000000 ] - [ -0.0006255500000000, 0.0002631600000000, 0.0002873900000000 ] - [ 0.0020873900000000, 0.0001261700000000, -0.0013143100000000 ] - [ -0.0016895300000000, 0.0009567400000000, -0.0003937700000000 ] - [ 0.1256477800000000, -0.1464932300000000, -0.0017370700000000 ] - [ -0.0007904400000000, -0.0003796800000000, 0.0000000700000000 ] - [ -0.0005801900000000, -0.0009171000000000, -0.0000590600000000 ] - [ 0.0008816500000000, -0.0016369100000000, 0.0000241300000000 ] - [ -0.0006397600000000, 0.0017320700000000, -0.0006351700000000 ] - [ 0.0002048500000000, 0.0008343400000000, 0.0003975800000000 ] - [ -0.0084957100000000, 0.0010477700000000, -0.0051474500000000 ] - [ 0.0005128100000000, 0.0003042200000000, -0.0006325200000000 ] - [ 0.0021550900000000, 0.0012964200000000, 0.0053402500000000 ] - [ -0.0002169200000000, 0.0002525400000000, -0.0004818600000000 ] - [ 0.0008927700000000, 0.0040357500000000, 0.0020192900000000 ] - [ 0.0000035900000000, 0.0007518700000000, 0.0003885400000000 ] - [ 0.0000993900000000, 0.0005839300000000, 0.0006907000000000 ] - [ -0.0000425400000000, 0.0003292900000000, 0.0002680000000000 ] - [ -0.0000634000000000, -0.0028764800000000, -0.0012817300000000 ] - [ -0.0010418400000000, -0.0020538300000000, -0.0015713000000000 ] - [ -0.0001607400000000, -0.0005527800000000, 0.0013237600000000 ] - [ -0.0001308600000000, -0.0007096200000000, -0.0004127300000000 ] - [ 0.0002571900000000, 0.0002878400000000, 0.0006430300000000 ] - [ 0.0002654900000000, 0.0000157600000000, -0.0004121000000000 ] - [ -0.0004968700000000, 0.0018887900000000, 0.0000358700000000 ] - [ -0.0003109800000000, 0.0011744900000000, 0.0000513900000000 ] - [ 0.0074412300000000, -0.0047560000000000, -0.0001720800000000 ] - [ -0.0013990300000000, -0.0009150600000000, 0.0002919400000000 ] - [ -0.0010012900000000, 0.0055515200000000, 0.0009925300000000 ] - [ 0.0003165500000000, 0.0005703300000000, 0.0002270200000000 ] - [ -0.0291906900000000, 0.0227918700000000, 0.0099991100000000 ] - [ 0.0000633000000000, -0.0000685300000000, -0.0006341500000000 ] - [ -0.0004062500000000, 0.0003835300000000, 0.0004531500000000 ] - [ -0.0001979400000000, 0.0000307400000000, -0.0004428700000000 ] - [ -0.0016547800000000, -0.0010679500000000, 0.0035152900000000 ] - [ 0.0002666700000000, -0.0007260200000000, 0.0001221300000000 ] - [ -0.0000375600000000, 0.0000845600000000, 0.0005851500000000 ] - [ -0.0008837800000000, 0.0003581000000000, -0.0007780100000000 ] - [ -0.0000695300000000, -0.0005077800000000, 0.0008382200000000 ] - [ -0.0005259500000000, -0.0001682800000000, -0.0013365200000000 ] - [ -0.0010936400000000, 0.0020771900000000, -0.0008706800000000 ] - [ 0.0000230800000000, 0.0006256900000000, -0.0001611100000000 ] - [ -0.0066379200000000, -0.0030726400000000, -0.0073057500000000 ] - [ -0.0003063500000000, -0.0002710400000000, 0.0004666800000000 ] - [ -0.0006682200000000, -0.0002888600000000, 0.0007738700000000 ] - [ -0.0006107600000000, -0.0003482900000000, 0.0000890400000000 ] - [ 0.0002605700000000, 0.0008750900000000, 0.0010288900000000 ] - [ 0.0006703900000000, 0.0002917300000000, -0.0001233200000000 ] - [ 0.0015896800000000, 0.0039326600000000, -0.0008483500000000 ] - [ 0.0004503000000000, 0.0004348400000000, -0.0002084500000000 ] - [ 0.0001343400000000, 0.0000804100000000, 0.0004023700000000 ] - [ 0.0010402200000000, 0.0006091200000000, 0.0005390700000000 ] - [ -0.0011646600000000, 0.0032822400000000, 0.0008290600000000 ] - [ 0.0002739200000000, 0.0007682500000000, -0.0002521300000000 ] - [ -0.0041977900000000, -0.0004982600000000, 0.0031385800000000 ] - [ 0.0000751400000000, -0.0003553000000000, 0.0003941600000000 ] - [ 0.0001950800000000, 0.0011568800000000, -0.0002528000000000 ] - [ 0.0000523400000000, 0.0002359800000000, -0.0000647100000000 ] - [ -0.0004868000000000, -0.0034281500000000, -0.0043702100000000 ] - [ -0.0000848500000000, -0.0005341000000000, 0.0002084800000000 ] - [ -0.0005852400000000, 0.0003304200000000, -0.0005124500000000 ] - [ -0.0007949400000000, -0.0002441000000000, -0.0020233700000000 ] - [ -0.0015375900000000, -0.0027409000000000, -0.0012624000000000 ] - [ -0.0005653600000000, -0.0004714400000000, 0.0008800400000000 ] - [ -0.0009059900000000, -0.0021056400000000, 0.0005971000000000 ] - [ 0.0005025000000000, -0.0018941800000000, 0.0011117400000000 ] - [ -0.0016281300000000, 0.0006836400000000, 0.0020742400000000 ] - [ 0.0059857100000000, 0.0018037300000000, 0.0002736700000000 ] - [ -0.0843248100000000, 0.0754211100000000, -0.0198287400000000 ] - [ 0.0002448400000000, 0.0009176900000000, 0.0003956000000000 ] - [ 0.0009888900000000, -0.0047292300000000, 0.0004093900000000 ] - [ 0.0007490300000000, -0.0010705900000000, -0.0003953500000000 ] - [ 0.0006742500000000, -0.0009134400000000, -0.0025075200000000 ] - [ 0.0002072900000000, 0.0002043300000000, 0.0004836900000000 ] - [ -0.0002322200000000, -0.0000238000000000, -0.0004897700000000 ] - [ -0.0004122100000000, 0.0003880300000000, 0.0013205200000000 ] - [ -0.0095063100000000, -0.0051050600000000, 0.0002394300000000 ] - [ 0.0002942300000000, 0.0001150700000000, 0.0003271800000000 ] - [ -0.0078079300000000, 0.0033208700000000, 0.0048752000000000 ] - [ 0.0017016200000000, 0.0013469300000000, 0.0001881200000000 ] - [ -0.0007618800000000, 0.0038924500000000, -0.0043145200000000 ] - [ 0.0011257800000000, 0.0014024300000000, -0.0004904400000000 ] - [ 0.0007841300000000, -0.0022390600000000, -0.0004050500000000 ] - [ 0.0006745900000000, -0.0012899700000000, -0.0009337400000000 ] - [ -0.0023581200000000, 0.0192014500000000, 0.0071065700000000 ] - [ 0.0008291400000000, 0.0008997500000000, 0.0000545400000000 ] - [ -0.0006351600000000, -0.0036316400000000, -0.0018815400000000 ] - [ 0.0002757200000000, -0.0002714800000000, -0.0000140500000000 ] - [ 0.0061701800000000, 0.0015142200000000, -0.0053466500000000 ] - [ -0.0025733400000000, 0.0001390800000000, -0.0001543500000000 ] - [ 0.0018728200000000, -0.0020893200000000, -0.0019072800000000 ] - [ -0.0009520000000000, -0.0006084700000000, -0.0007212000000000 ] - [ -0.0094937900000000, 0.0212066600000000, 0.0094326000000000 ] - [ -0.0003652800000000, 0.0015608800000000, -0.0007235600000000 ] - [ -0.0001576100000000, -0.0090854200000000, 0.0016722500000000 ] - [ 0.0002883500000000, 0.0002238100000000, 0.0004198500000000 ] - [ 0.0002656600000000, -0.0026058800000000, -0.0001905200000000 ] - [ 0.0000257900000000, -0.0020407300000000, 0.0002151600000000 ] - [ -0.0005274300000000, 0.0015802700000000, -0.0001723400000000 ] - [ -0.0002904900000000, 0.0000410300000000, -0.0000394800000000 ] - [ 0.0022073800000000, -0.0034442500000000, 0.0067467300000000 ] - [ 0.0000289600000000, 0.0000197200000000, -0.0002274100000000 ] - [ -0.0000994700000000, -0.0010440500000000, 0.0045334800000000 ] - [ -0.0000635100000000, 0.0001100200000000, -0.0004023900000000 ] - [ -0.0003911100000000, -0.0024713500000000, 0.0003059600000000 ] - [ 0.0003457500000000, -0.0018056100000000, 0.0008527700000000 ] - [ 0.0011985500000000, 0.0023524800000000, -0.0012972200000000 ] - [ 0.0016922300000000, 0.0019775200000000, 0.0002237900000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007527100000000, -0.0003211200000000, 0.0011323900000000 ] - [ -0.0001737100000000, 0.0000282300000000, 0.0000611400000000 ] - [ -0.0001578600000000, 0.0002645300000000, 0.0002919900000000 ] - [ 0.0001976100000000, -0.0002491200000000, -0.0005775400000000 ] - [ -0.0012811600000000, -0.0043443900000000, 0.0008014200000000 ] - [ 0.0004223200000000, -0.0007177100000000, -0.0000200300000000 ] - [ -0.0012152000000000, 0.0070597100000000, 0.0015487500000000 ] - [ 0.0000084900000000, 0.0006570800000000, -0.0001783300000000 ] - [ 0.0018342500000000, 0.0001388400000000, -0.0012280700000000 ] - [ -0.0031660200000000, -0.0001300000000000, -0.0036696200000000 ] - [ -0.0002248400000000, -0.0010573800000000, 0.0001292400000000 ] - [ -0.0010004500000000, -0.0009708400000000, -0.0003004700000000 ] - [ -0.0056330400000000, 0.0000720500000000, 0.0007273500000000 ] - [ 0.0008110100000000, 0.0011663000000000, 0.0008357900000000 ] - [ -0.0013702500000000, -0.0007325200000000, -0.0019510200000000 ] - [ 0.0012394800000000, 0.0002943800000000, -0.0003150900000000 ] - [ -0.0035798600000000, -0.0184125700000000, 0.0013449700000000 ] - [ 0.0009972000000000, 0.0001884100000000, -0.0002805100000000 ] - [ -0.0034606000000000, -0.0066792300000000, 0.0058403700000000 ] - [ -0.0001639800000000, 0.0000278300000000, 0.0002857300000000 ] - [ -0.0007884100000000, -0.0008663700000000, 0.0001539900000000 ] - [ -0.0006794600000000, -0.0005747000000000, 0.0003897600000000 ] - [ 0.0005182900000000, 0.0005910500000000, -0.0007694200000000 ] - [ 0.0000439000000000, 0.0004948600000000, -0.0003441700000000 ] - [ 0.0001355300000000, 0.0016089900000000, -0.0009925500000000 ] - [ 0.0004156100000000, 0.0007487900000000, -0.0009931800000000 ] - [ 0.0002623600000000, -0.0017718300000000, 0.0002987700000000 ] - [ 0.0001882000000000, -0.0005737100000000, 0.0003806900000000 ] - [ -0.0012681900000000, 0.0001533800000000, 0.0013454700000000 ] - [ 0.0006175600000000, -0.0001611500000000, 0.0006877500000000 ] - [ -0.0020667000000000, -0.0000665300000000, 0.0003402800000000 ] - [ 0.0016859500000000, -0.0008609500000000, -0.0005806700000000 ] - [ -0.1279577900000000, 0.1461219100000000, 0.0015985100000000 ] - [ -0.0002942000000000, 0.0005654900000000, 0.0003200200000000 ] - [ 0.0000508500000000, 0.0000674900000000, -0.0005544500000000 ] - [ -0.0013986200000000, 0.0007782800000000, -0.0006485900000000 ] - [ 0.0011702800000000, -0.0008746100000000, 0.0012597000000000 ] - [ 0.0003179000000000, 0.0000156800000000, 0.0002222500000000 ] - [ 0.0079146900000000, -0.0001977100000000, 0.0044796600000000 ] - [ -0.0010630500000000, 0.0005285100000000, 0.0000231500000000 ] - [ -0.0023896100000000, -0.0003102700000000, -0.0062687500000000 ] - [ -0.0000458300000000, 0.0007316200000000, -0.0004915000000000 ] - [ -0.0006358500000000, -0.0030423200000000, -0.0010533000000000 ] - [ 0.0002543400000000, 0.0002367100000000, 0.0005815000000000 ] - [ 0.0001586500000000, -0.0015666100000000, 0.0002827700000000 ] - [ 0.0003014400000000, -0.0013126100000000, 0.0007011500000000 ] - [ -0.0002036500000000, 0.0018899900000000, 0.0003414800000000 ] - [ 0.0007763000000000, 0.0010632200000000, 0.0005939000000000 ] - [ -0.0000384700000000, -0.0001587500000000, -0.0011616600000000 ] - [ -0.0000668600000000, -0.0000027100000000, 0.0005666900000000 ] - [ -0.0000561500000000, -0.0009950400000000, -0.0007980100000000 ] - [ -0.0000630700000000, -0.0007216200000000, 0.0002552600000000 ] - [ 0.0006905800000000, -0.0011739500000000, -0.0001893200000000 ] - [ 0.0005118600000000, -0.0004624500000000, -0.0002034500000000 ] - [ -0.0077720400000000, 0.0054275400000000, 0.0003326900000000 ] - [ 0.0011911800000000, 0.0016188200000000, -0.0001380100000000 ] - [ 0.0013657500000000, -0.0048705200000000, -0.0004205800000000 ] - [ 0.0000519100000000, 0.0000860700000000, 0.0003400200000000 ] - [ 0.0292862100000000, -0.0223729600000000, -0.0107535600000000 ] - [ -0.0004355900000000, 0.0007283900000000, 0.0000657600000000 ] - [ 0.0000362100000000, -0.0010420700000000, -0.0010145100000000 ] - [ -0.0001718100000000, -0.0006914200000000, -0.0001265000000000 ] - [ 0.0020277200000000, 0.0004156700000000, -0.0029445100000000 ] - [ 0.0001001400000000, 0.0000656900000000, 0.0004426900000000 ] - [ -0.0000233100000000, -0.0005539400000000, -0.0000640100000000 ] - [ 0.0008191800000000, -0.0008246600000000, 0.0012882400000000 ] - [ 0.0001299900000000, 0.0000413900000000, -0.0013528500000000 ] - [ 0.0005880600000000, -0.0002894800000000, 0.0008027500000000 ] - [ 0.0011472500000000, -0.0016059400000000, 0.0003456000000000 ] - [ 0.0000390600000000, -0.0001609700000000, -0.0003543800000000 ] - [ 0.0065457600000000, 0.0036370300000000, 0.0077766300000000 ] - [ 0.0002409500000000, 0.0007370800000000, 0.0000498200000000 ] - [ -0.0004104500000000, 0.0001003100000000, -0.0004453300000000 ] - [ -0.0004671900000000, 0.0001615200000000, 0.0002284700000000 ] - [ 0.0008160500000000, -0.0010577700000000, -0.0013478500000000 ] - [ 0.0004033000000000, -0.0004747300000000, -0.0002008400000000 ] - [ -0.0005090900000000, -0.0037349000000000, 0.0005294600000000 ] - [ 0.0006243000000000, -0.0002502600000000, -0.0001116000000000 ] - [ 0.0003949600000000, -0.0009274300000000, 0.0002182000000000 ] - [ -0.0005139800000000, -0.0014562000000000, 0.0000779500000000 ] - [ 0.0013476600000000, -0.0030159500000000, -0.0012007100000000 ] - [ -0.0000946800000000, -0.0005009200000000, -0.0001171300000000 ] - [ 0.0039668900000000, 0.0007604900000000, -0.0027344400000000 ] - [ -0.0002601800000000, 0.0006105600000000, -0.0000327300000000 ] - [ -0.0000120500000000, -0.0014153400000000, -0.0001140000000000 ] - [ 0.0001276200000000, -0.0005014100000000, -0.0003042300000000 ] - [ 0.0003202100000000, 0.0031271400000000, 0.0047622100000000 ] - [ -0.0000978400000000, 0.0002673400000000, 0.0001617600000000 ] - [ -0.0008381000000000, -0.0019798200000000, 0.0014140300000000 ] - [ -0.0006212700000000, -0.0014079800000000, 0.0029331700000000 ] - [ 0.0000652000000000, 0.0033552900000000, 0.0026715000000000 ] - [ -0.0009087600000000, 0.0010861300000000, 0.0005278900000000 ] - [ -0.0005591700000000, 0.0014845300000000, 0.0008074100000000 ] - [ -0.0019765900000000, 0.0012637000000000, 0.0002945600000000 ] - [ 0.0031389700000000, -0.0012249000000000, -0.0035601100000000 ] - [ -0.0044968600000000, -0.0024158000000000, -0.0016760200000000 ] - [ 0.0852216400000000, -0.0757294800000000, 0.0210893900000000 ] - [ -0.0012255300000000, -0.0015119400000000, 0.0002264300000000 ] - [ 0.0000140800000000, 0.0041148600000000, -0.0010262700000000 ] - [ 0.0002436700000000, 0.0004754400000000, -0.0002269100000000 ] - [ 0.0003160700000000, 0.0015057900000000, 0.0018833000000000 ] - [ 0.0007846300000000, 0.0003887900000000, -0.0010937600000000 ] - [ -0.0007581400000000, 0.0006224000000000, 0.0011015000000000 ] - [ -0.0005792100000000, 0.0002131700000000, -0.0006920900000000 ] - [ 0.0080053900000000, 0.0067604400000000, 0.0006671200000000 ] - [ -0.0017056800000000, 0.0015331000000000, 0.0005769500000000 ] - [ 0.0092342500000000, -0.0016966800000000, -0.0057812100000000 ] - [ -0.0002694900000000, 0.0002900600000000, -0.0010947700000000 ] - [ 0.0022175800000000, -0.0032480400000000, 0.0028890900000000 ] - [ 0.0003487600000000, -0.0007841100000000, -0.0009171800000000 ] - [ 0.0006357900000000, 0.0005936800000000, -0.0004986700000000 ] - [ 0.0007473100000000, -0.0003578700000000, 0.0000282400000000 ] - [ 0.0024120100000000, -0.0190372200000000, -0.0078734700000000 ] - [ -0.0005480700000000, -0.0004394100000000, -0.0002042500000000 ] - [ 0.0003505600000000, 0.0040783800000000, 0.0020107000000000 ] - [ -0.0005451600000000, 0.0007353100000000, 0.0001613900000000 ] - [ -0.0064473900000000, -0.0020019500000000, 0.0054850300000000 ] - [ 0.0023040300000000, -0.0005996300000000, 0.0003056000000000 ] - [ -0.0015843500000000, 0.0016123000000000, 0.0017442400000000 ] - [ 0.0012193900000000, 0.0001539400000000, 0.0005759100000000 ] - [ 0.0084791500000000, -0.0187893900000000, -0.0095229600000000 ] - [ 0.0000665500000000, 0.0003446800000000, 0.0000139600000000 ] - [ 0.0004641100000000, 0.0109660500000000, -0.0009526700000000 ] - [ 0.0000361000000000, 0.0016694300000000, 0.0002956000000000 ] - [ 0.0000511600000000, 0.0007044100000000, 0.0009017200000000 ] - [ 0.0002953100000000, 0.0001417200000000, 0.0005042300000000 ] - [ 0.0002132100000000, -0.0034662200000000, -0.0005722200000000 ] - [ -0.0000259300000000, -0.0019342400000000, -0.0006697800000000 ] - [ -0.0017851500000000, 0.0037264500000000, -0.0070589300000000 ] - [ 0.0004014900000000, 0.0002533200000000, -0.0001324600000000 ] - [ -0.0003629800000000, 0.0012688000000000, -0.0041695300000000 ] - [ -0.0003542300000000, 0.0001542200000000, 0.0007568300000000 ] - [ -0.0000395900000000, 0.0022096800000000, 0.0000470200000000 ] - [ -0.0007629700000000, 0.0015359900000000, -0.0004939000000000 ] - [ -0.0007700900000000, -0.0026034100000000, 0.0009371800000000 ] - [ -0.0012329600000000, -0.0022367100000000, -0.0005295000000000 ]- atom: 33 displacement: [ -0.0050436217710434, 0.0000000000000000, 0.0086349220859633 ] forces: - [ -0.0001600300000000, -0.0011968500000000, 0.0004882200000000 ] - [ -0.0002554300000000, 0.0001392300000000, 0.0002784300000000 ] - [ -0.0004238300000000, -0.0003576600000000, 0.0012445400000000 ] - [ 0.0003171500000000, 0.0003794000000000, 0.0005707300000000 ] - [ 0.0006644500000000, 0.0009131400000000, -0.0005700900000000 ] - [ -0.0000825800000000, 0.0002177500000000, -0.0001942500000000 ] - [ -0.0148850800000000, -0.0068750300000000, 0.0089381100000000 ] - [ -0.0003531800000000, 0.0000773500000000, -0.0007516200000000 ] - [ -0.0007240300000000, -0.0010268700000000, 0.0015861100000000 ] - [ 0.0053076800000000, -0.0007594700000000, 0.0031946600000000 ] - [ -0.0010910700000000, -0.0005086900000000, 0.0012667900000000 ] - [ 0.0000160900000000, -0.0004465100000000, 0.0007353300000000 ] - [ 0.0002588100000000, -0.0003204600000000, -0.0055094000000000 ] - [ -0.0024274700000000, 0.0007722200000000, -0.0003413200000000 ] - [ 0.0015756000000000, 0.0008037600000000, -0.0011108400000000 ] - [ -0.0002463100000000, 0.0008813500000000, -0.0003436000000000 ] - [ 0.0043284700000000, 0.0013211100000000, -0.0047238700000000 ] - [ -0.0001106200000000, -0.0000413700000000, -0.0002712600000000 ] - [ 0.0010214100000000, -0.0050362900000000, -0.0010681700000000 ] - [ -0.0011656700000000, 0.0003578500000000, 0.0000262600000000 ] - [ -0.0009432500000000, -0.0001166200000000, 0.0008512700000000 ] - [ -0.0003316200000000, 0.0000329800000000, 0.0001983100000000 ] - [ -0.0002157400000000, -0.0000486800000000, 0.0020128000000000 ] - [ 0.0019364300000000, -0.0006835700000000, 0.0008024600000000 ] - [ -0.0004346600000000, -0.0008703200000000, 0.0012985900000000 ] - [ -0.0001639700000000, -0.0003268300000000, 0.0001653700000000 ] - [ -0.0000068900000000, 0.0006018900000000, 0.0008685200000000 ] - [ -0.0001972600000000, 0.0000861800000000, 0.0006962100000000 ] - [ -0.0013070600000000, -0.0022752900000000, 0.0004496100000000 ] - [ 0.0003439000000000, 0.0000239100000000, -0.0001241400000000 ] - [ 0.0006940400000000, -0.0018966800000000, -0.0009584600000000 ] - [ -0.0008629600000000, 0.0006955400000000, -0.0005815300000000 ] - [ 0.1021016600000000, -0.0656445400000000, -0.0692862500000000 ] - [ -0.0014009800000000, 0.0000792700000000, -0.0000317300000000 ] - [ -0.0011450000000000, -0.0000697500000000, 0.0015425000000000 ] - [ 0.0011383900000000, -0.0007270400000000, 0.0007149600000000 ] - [ 0.0007203900000000, 0.0002235200000000, -0.0011206000000000 ] - [ -0.0006247600000000, 0.0004318400000000, 0.0004044800000000 ] - [ -0.0029678100000000, 0.0012893300000000, -0.0066873600000000 ] - [ -0.0022093500000000, -0.0006266100000000, -0.0001723300000000 ] - [ 0.0023857500000000, 0.0028920000000000, 0.0048786300000000 ] - [ -0.0003915300000000, 0.0002730100000000, -0.0003324500000000 ] - [ 0.0006562100000000, 0.0045557700000000, 0.0006583000000000 ] - [ -0.0001693300000000, 0.0006599600000000, 0.0005697800000000 ] - [ -0.0001220800000000, -0.0002370700000000, 0.0011403500000000 ] - [ 0.0002890800000000, -0.0003321300000000, 0.0003852000000000 ] - [ -0.0022346500000000, -0.0016837100000000, 0.0012643100000000 ] - [ -0.0005273300000000, -0.0012393500000000, -0.0014162600000000 ] - [ -0.0006682700000000, 0.0001052300000000, 0.0018338400000000 ] - [ 0.0003808400000000, -0.0008617700000000, 0.0005814100000000 ] - [ 0.0001924100000000, 0.0001729500000000, 0.0008540200000000 ] - [ 0.0000094200000000, -0.0005300000000000, 0.0003671600000000 ] - [ -0.0002856600000000, 0.0006871600000000, -0.0005774000000000 ] - [ -0.0000067900000000, 0.0004938300000000, -0.0003729000000000 ] - [ -0.0093793600000000, -0.0012404900000000, -0.0056523800000000 ] - [ -0.0014617600000000, 0.0000210500000000, -0.0004681700000000 ] - [ -0.0008273600000000, 0.0069793600000000, 0.0006418800000000 ] - [ 0.0001269100000000, 0.0002507200000000, 0.0000956700000000 ] - [ -0.0175037300000000, 0.0271735500000000, -0.0015451100000000 ] - [ -0.0004513100000000, 0.0000642900000000, -0.0006807900000000 ] - [ -0.0005616300000000, 0.0000175600000000, 0.0007406100000000 ] - [ -0.0000552800000000, -0.0003569500000000, -0.0002293000000000 ] - [ -0.0017785300000000, 0.0006491000000000, 0.0041842400000000 ] - [ 0.0001073900000000, -0.0004275400000000, 0.0006148300000000 ] - [ -0.0004750500000000, -0.0000644200000000, 0.0012092300000000 ] - [ 0.0003040900000000, -0.0001954000000000, -0.0001632300000000 ] - [ -0.0006277500000000, -0.0009368800000000, 0.0018710300000000 ] - [ 0.0007837200000000, -0.0006508800000000, 0.0009119200000000 ] - [ 0.0003562000000000, 0.0004732600000000, -0.0016697500000000 ] - [ -0.0003134200000000, 0.0002212800000000, -0.0003079100000000 ] - [ 0.0138132300000000, -0.0070799900000000, 0.0049579700000000 ] - [ -0.0011639500000000, -0.0001950400000000, 0.0001824500000000 ] - [ -0.0013111300000000, -0.0006831700000000, 0.0016370400000000 ] - [ -0.0001120700000000, -0.0000688300000000, 0.0001032300000000 ] - [ -0.0002673800000000, 0.0010744100000000, 0.0015151000000000 ] - [ 0.0011062900000000, -0.0001250300000000, 0.0000286900000000 ] - [ 0.0021536000000000, 0.0012247900000000, -0.0015791400000000 ] - [ 0.0002063600000000, 0.0000905700000000, -0.0001895400000000 ] - [ -0.0001795000000000, -0.0003372600000000, 0.0008443900000000 ] - [ 0.0012842400000000, 0.0002231700000000, 0.0005177800000000 ] - [ -0.0008769700000000, 0.0027625200000000, 0.0005720800000000 ] - [ 0.0000710800000000, 0.0002397900000000, -0.0003802900000000 ] - [ -0.0037030800000000, 0.0006320800000000, 0.0028827500000000 ] - [ -0.0000261600000000, -0.0000060800000000, -0.0005395800000000 ] - [ -0.0000200600000000, -0.0001594300000000, 0.0001188800000000 ] - [ 0.0000314700000000, -0.0000125800000000, -0.0000098300000000 ] - [ 0.0021950900000000, -0.0058269300000000, 0.0095142000000000 ] - [ -0.0003303400000000, -0.0002454300000000, 0.0004412600000000 ] - [ 0.0004786400000000, -0.0001840100000000, -0.0026191900000000 ] - [ -0.0018656200000000, -0.0005139400000000, -0.0023063000000000 ] - [ -0.0019190500000000, -0.0016960400000000, -0.0010577300000000 ] - [ -0.0002139000000000, 0.0002460700000000, 0.0002865100000000 ] - [ 0.0005639700000000, 0.0004497900000000, 0.0002657500000000 ] - [ -0.0009298200000000, -0.0005362600000000, 0.0013701000000000 ] - [ 0.0051264200000000, 0.0047240000000000, -0.0029328300000000 ] - [ 0.0037086000000000, -0.0000322800000000, 0.0007254000000000 ] - [ -0.0573875800000000, 0.0227418100000000, 0.0233098800000000 ] - [ 0.0011390300000000, 0.0003558100000000, 0.0007616300000000 ] - [ -0.0003828000000000, -0.0026242700000000, 0.0026215500000000 ] - [ 0.0009400300000000, -0.0003253100000000, -0.0000915400000000 ] - [ 0.0011611200000000, -0.0015646800000000, -0.0039793700000000 ] - [ 0.0000567700000000, 0.0005970800000000, -0.0011962400000000 ] - [ 0.0006110100000000, -0.0000537600000000, -0.0013970000000000 ] - [ -0.0012791400000000, 0.0007027300000000, 0.0005596100000000 ] - [ -0.0035220100000000, 0.0008538100000000, 0.0021367000000000 ] - [ 0.0003747000000000, 0.0005171000000000, 0.0006120500000000 ] - [ 0.0047505700000000, 0.0107358600000000, 0.0044975200000000 ] - [ 0.0015710300000000, 0.0002995800000000, 0.0009573300000000 ] - [ -0.0006797400000000, 0.0014828600000000, -0.0053989500000000 ] - [ 0.0013302400000000, 0.0007121100000000, -0.0016174900000000 ] - [ 0.0010646700000000, -0.0005618700000000, -0.0016954000000000 ] - [ 0.0004954500000000, -0.0010707000000000, -0.0009759800000000 ] - [ -0.0095119200000000, 0.0066031700000000, 0.0138763700000000 ] - [ 0.0015535500000000, 0.0003442500000000, -0.0004894400000000 ] - [ -0.0017163600000000, -0.0022354900000000, -0.0003204300000000 ] - [ 0.0004413500000000, 0.0002096400000000, -0.0003084300000000 ] - [ 0.0061395800000000, -0.0014078400000000, -0.0052596700000000 ] - [ -0.0014957900000000, -0.0001539600000000, 0.0016684400000000 ] - [ 0.0023924500000000, -0.0019069000000000, -0.0026791100000000 ] - [ -0.0007176400000000, -0.0002402400000000, 0.0002442200000000 ] - [ -0.0196669800000000, 0.0144618700000000, 0.0219941700000000 ] - [ 0.0011293300000000, 0.0013382400000000, 0.0002514500000000 ] - [ -0.0030862200000000, -0.0040764300000000, 0.0053712100000000 ] - [ 0.0008364700000000, 0.0007818400000000, 0.0005481200000000 ] - [ 0.0010188600000000, -0.0014267000000000, -0.0015051700000000 ] - [ -0.0004458500000000, -0.0013333900000000, 0.0001439500000000 ] - [ 0.0023166200000000, 0.0012750100000000, -0.0060600200000000 ] - [ -0.0007048100000000, -0.0007919500000000, -0.0006678900000000 ] - [ -0.0031581800000000, 0.0032598700000000, 0.0029314800000000 ] - [ 0.0011467400000000, 0.0003996000000000, -0.0009817000000000 ] - [ -0.0006576500000000, 0.0032664700000000, -0.0019790700000000 ] - [ 0.0005654300000000, 0.0001922900000000, -0.0007787000000000 ] - [ 0.0006302800000000, -0.0008855200000000, -0.0004358400000000 ] - [ -0.0004322000000000, -0.0006595000000000, 0.0011017000000000 ] - [ 0.0053300400000000, 0.0010967300000000, -0.0044011900000000 ] - [ -0.0034094900000000, -0.0012801000000000, 0.0004078700000000 ]- atom: 33 displacement: [ 0.0050436217710434, 0.0000000000000000, -0.0086349220859633 ] forces: - [ -0.0001533600000000, 0.0012845900000000, -0.0003695800000000 ] - [ -0.0000620900000000, -0.0000557500000000, -0.0001598500000000 ] - [ 0.0007513500000000, 0.0004366400000000, -0.0013661200000000 ] - [ -0.0000044100000000, -0.0002963100000000, -0.0006907300000000 ] - [ -0.0003463900000000, -0.0009936500000000, 0.0004534900000000 ] - [ 0.0003960100000000, -0.0002986000000000, 0.0000751400000000 ] - [ 0.0143163600000000, 0.0066831100000000, -0.0086612100000000 ] - [ 0.0000234300000000, -0.0001601900000000, 0.0008708500000000 ] - [ 0.0019301000000000, -0.0002678400000000, -0.0021730700000000 ] - [ -0.0041153500000000, -0.0005266100000000, -0.0038059700000000 ] - [ -0.0001215400000000, -0.0007791000000000, -0.0006685200000000 ] - [ -0.0012206500000000, -0.0008425100000000, -0.0001382100000000 ] - [ -0.0014404200000000, 0.0016139100000000, 0.0061097100000000 ] - [ 0.0012092300000000, 0.0005209000000000, 0.0009399300000000 ] - [ -0.0003606800000000, 0.0004856400000000, 0.0005100700000000 ] - [ 0.0014470900000000, 0.0004115000000000, -0.0002544900000000 ] - [ -0.0031188900000000, -0.0010668100000000, 0.0042656800000000 ] - [ 0.0012833400000000, 0.0003217900000000, -0.0001782900000000 ] - [ -0.0021623800000000, 0.0053324200000000, 0.0014881300000000 ] - [ -0.0000226100000000, -0.0000723900000000, 0.0004209600000000 ] - [ -0.0002332300000000, -0.0001629900000000, -0.0003986800000000 ] - [ -0.0008487800000000, -0.0003143000000000, 0.0002489300000000 ] - [ 0.0014024700000000, -0.0002388700000000, -0.0024513800000000 ] - [ -0.0007674300000000, 0.0004013900000000, -0.0012641600000000 ] - [ 0.0004475500000000, 0.0007671900000000, -0.0022720400000000 ] - [ 0.0001633300000000, 0.0002321500000000, -0.0011417900000000 ] - [ 0.0000020900000000, -0.0006906400000000, 0.0001077500000000 ] - [ 0.0001917700000000, -0.0001761300000000, 0.0002796400000000 ] - [ 0.0013076800000000, 0.0023496300000000, 0.0005204800000000 ] - [ -0.0003555600000000, 0.0000754600000000, 0.0010999100000000 ] - [ -0.0006856500000000, 0.0019732200000000, -0.0000099900000000 ] - [ 0.0008611900000000, -0.0005988800000000, -0.0003948900000000 ] - [ -0.1011420400000000, 0.0651412700000000, 0.0689615800000000 ] - [ 0.0003145300000000, 0.0001053800000000, 0.0003496100000000 ] - [ 0.0006095500000000, -0.0007742900000000, -0.0021570500000000 ] - [ -0.0016527400000000, -0.0001341000000000, -0.0013397300000000 ] - [ -0.0001968900000000, 0.0006361500000000, 0.0017417200000000 ] - [ 0.0011478700000000, 0.0004173300000000, 0.0002136700000000 ] - [ 0.0024247800000000, -0.0004460300000000, 0.0060175700000000 ] - [ 0.0016662800000000, 0.0014652000000000, -0.0004370000000000 ] - [ -0.0026101900000000, -0.0018911300000000, -0.0058009900000000 ] - [ 0.0001271600000000, 0.0007130600000000, -0.0006430600000000 ] - [ -0.0003879800000000, -0.0035733100000000, 0.0003231300000000 ] - [ 0.0004264800000000, 0.0003282700000000, 0.0003988800000000 ] - [ 0.0003810300000000, -0.0007435200000000, -0.0001660600000000 ] - [ -0.0000334300000000, -0.0006498300000000, 0.0005810100000000 ] - [ 0.0019945200000000, 0.0006928000000000, -0.0022138500000000 ] - [ 0.0002618500000000, 0.0002472100000000, 0.0004381300000000 ] - [ 0.0004706200000000, -0.0008161900000000, -0.0016700400000000 ] - [ -0.0005853000000000, 0.0001547800000000, -0.0004302300000000 ] - [ 0.0000068500000000, -0.0008840400000000, -0.0010060200000000 ] - [ 0.0001931100000000, -0.0001754200000000, -0.0005264600000000 ] - [ 0.0004820900000000, 0.0000306100000000, 0.0004192900000000 ] - [ 0.0002027800000000, 0.0002200100000000, 0.0002201500000000 ] - [ 0.0091264300000000, 0.0019319000000000, 0.0058973900000000 ] - [ 0.0012521000000000, 0.0006846400000000, 0.0006169400000000 ] - [ 0.0011867200000000, -0.0062391000000000, -0.0000608600000000 ] - [ 0.0002393200000000, 0.0004075500000000, 0.0004716800000000 ] - [ 0.0171730800000000, -0.0267356900000000, 0.0011151300000000 ] - [ 0.0000805100000000, 0.0005928300000000, 0.0001090600000000 ] - [ 0.0001949400000000, -0.0006719800000000, -0.0013022300000000 ] - [ -0.0003166100000000, -0.0003009900000000, -0.0003409600000000 ] - [ 0.0021483900000000, -0.0013138800000000, -0.0036097000000000 ] - [ 0.0002597700000000, -0.0002338700000000, -0.0000504300000000 ] - [ 0.0004143000000000, -0.0004007500000000, -0.0006854500000000 ] - [ -0.0003682300000000, -0.0002692900000000, 0.0006755600000000 ] - [ 0.0006855000000000, 0.0004622400000000, -0.0023812800000000 ] - [ -0.0007282500000000, 0.0001919300000000, -0.0014513200000000 ] - [ -0.0002924000000000, -0.0000017800000000, 0.0011483100000000 ] - [ 0.0003731800000000, 0.0002458200000000, -0.0002071300000000 ] - [ -0.0138961700000000, 0.0075649700000000, -0.0045317700000000 ] - [ 0.0010924000000000, 0.0006579800000000, 0.0003285900000000 ] - [ 0.0002358000000000, 0.0004993900000000, -0.0013100500000000 ] - [ -0.0009686100000000, -0.0001170000000000, 0.0002135200000000 ] - [ 0.0013505400000000, -0.0012581900000000, -0.0018277900000000 ] - [ -0.0000330500000000, -0.0000574200000000, -0.0003526000000000 ] - [ -0.0010617600000000, -0.0010234000000000, 0.0012535800000000 ] - [ 0.0008670500000000, 0.0000949200000000, -0.0001312800000000 ] - [ 0.0007083000000000, -0.0005096400000000, -0.0002223700000000 ] - [ -0.0007574700000000, -0.0010702000000000, 0.0001005600000000 ] - [ 0.0010543500000000, -0.0024893200000000, -0.0009378700000000 ] - [ 0.0001097400000000, 0.0000286000000000, 0.0000109700000000 ] - [ 0.0034978200000000, -0.0003682200000000, -0.0024935500000000 ] - [ -0.0001586800000000, 0.0002638900000000, 0.0009051600000000 ] - [ 0.0002049500000000, -0.0000946600000000, -0.0004892500000000 ] - [ 0.0001477700000000, -0.0002530000000000, -0.0003587000000000 ] - [ -0.0024211800000000, 0.0056174600000000, -0.0092743100000000 ] - [ 0.0001483800000000, -0.0000220600000000, -0.0000713100000000 ] - [ -0.0019102600000000, -0.0014546400000000, 0.0035123700000000 ] - [ 0.0004554700000000, -0.0011340000000000, 0.0032144300000000 ] - [ 0.0004467900000000, 0.0023117100000000, 0.0024616500000000 ] - [ -0.0012594400000000, 0.0003676100000000, 0.0011234500000000 ] - [ -0.0020329000000000, -0.0010709600000000, 0.0011419100000000 ] - [ -0.0005347200000000, -0.0000943300000000, 0.0000394200000000 ] - [ -0.0036405400000000, -0.0053029300000000, 0.0014522900000000 ] - [ -0.0022147400000000, -0.0005814000000000, -0.0021221100000000 ] - [ 0.0558309100000000, -0.0231454200000000, -0.0223492600000000 ] - [ -0.0021161900000000, -0.0009472800000000, -0.0001315500000000 ] - [ 0.0013602600000000, 0.0019982400000000, -0.0032207200000000 ] - [ 0.0000576500000000, -0.0002731300000000, -0.0005304300000000 ] - [ -0.0001749100000000, 0.0021655100000000, 0.0033499600000000 ] - [ 0.0009356800000000, -0.0000035200000000, 0.0005908800000000 ] - [ -0.0016050100000000, 0.0006473400000000, 0.0020073900000000 ] - [ 0.0002944900000000, -0.0001072300000000, 0.0000682800000000 ] - [ 0.0020941400000000, 0.0008039800000000, -0.0012309300000000 ] - [ -0.0017853900000000, 0.0011291800000000, 0.0002945100000000 ] - [ -0.0034044200000000, -0.0090345500000000, -0.0053378500000000 ] - [ -0.0001336300000000, 0.0013424200000000, -0.0018599800000000 ] - [ 0.0021282100000000, -0.0008383700000000, 0.0039650700000000 ] - [ 0.0001532100000000, -0.0000940100000000, 0.0002162500000000 ] - [ 0.0003549300000000, -0.0010918100000000, 0.0007898900000000 ] - [ 0.0009270100000000, -0.0005795200000000, 0.0000723500000000 ] - [ 0.0094987300000000, -0.0065585500000000, -0.0145461700000000 ] - [ -0.0012717800000000, 0.0001200400000000, 0.0003407200000000 ] - [ 0.0014224800000000, 0.0026739800000000, 0.0004650800000000 ] - [ -0.0007072200000000, 0.0002514800000000, 0.0004580100000000 ] - [ -0.0063981000000000, 0.0009495900000000, 0.0053721300000000 ] - [ 0.0012228300000000, -0.0003046800000000, -0.0015236700000000 ] - [ -0.0021000500000000, 0.0014263000000000, 0.0025119200000000 ] - [ 0.0009906800000000, -0.0002195100000000, -0.0003854500000000 ] - [ 0.0184486500000000, -0.0114640200000000, -0.0220588400000000 ] - [ -0.0014305700000000, 0.0005656200000000, -0.0009613900000000 ] - [ 0.0034007200000000, 0.0059312600000000, -0.0046658400000000 ] - [ -0.0005114000000000, 0.0011116100000000, 0.0001690500000000 ] - [ -0.0007058800000000, -0.0004768900000000, 0.0022147100000000 ] - [ 0.0007703700000000, -0.0005661600000000, 0.0005747900000000 ] - [ -0.0026476700000000, -0.0031703800000000, 0.0053449400000000 ] - [ 0.0003890100000000, -0.0011002100000000, -0.0000398200000000 ] - [ 0.0035717900000000, -0.0030029600000000, -0.0032881200000000 ] - [ -0.0007183200000000, -0.0001310100000000, 0.0006230600000000 ] - [ 0.0002009500000000, -0.0030351500000000, 0.0023763700000000 ] - [ -0.0009782000000000, 0.0000760700000000, 0.0011343700000000 ] - [ -0.0010523300000000, 0.0006162800000000, 0.0007804300000000 ] - [ 0.0000134800000000, 0.0003880700000000, -0.0007435900000000 ] - [ -0.0048782400000000, -0.0013496000000000, 0.0040269500000000 ] - [ 0.0038800400000000, 0.0010300700000000, -0.0007190700000000 ]- atom: 35 displacement: [ 0.0099999999206514, 0.0000000000000000, 0.0000012597509720 ] forces: - [ -0.0041178400000000, 0.0035928600000000, 0.0006998900000000 ] - [ 0.0009463000000000, -0.0002241500000000, -0.0002392300000000 ] - [ 0.0018511900000000, -0.0018531400000000, -0.0004888500000000 ] - [ 0.0015921000000000, 0.0054245700000000, -0.0002396200000000 ] - [ 0.0001890300000000, 0.0000089300000000, 0.0002230600000000 ] - [ 0.0000243600000000, -0.0002212900000000, -0.0001774400000000 ] - [ 0.0042796900000000, -0.0003906300000000, -0.0040904800000000 ] - [ 0.0011512400000000, 0.0014985500000000, 0.0016313600000000 ] - [ 0.0029958800000000, -0.0016711100000000, 0.0020222400000000 ] - [ 0.0008304600000000, 0.0011182900000000, -0.0049320300000000 ] - [ -0.0045688700000000, -0.0007836800000000, -0.0008068100000000 ] - [ 0.0009401700000000, -0.0008172800000000, 0.0006048600000000 ] - [ -0.0012622100000000, 0.0004238400000000, -0.0018873200000000 ] - [ 0.0003341600000000, 0.0006638700000000, 0.0020821500000000 ] - [ 0.0018371000000000, 0.0006242300000000, 0.0004362900000000 ] - [ -0.0023734900000000, 0.0005953700000000, -0.0006128100000000 ] - [ 0.0007251800000000, 0.0005870800000000, -0.0008829900000000 ] - [ 0.0000589100000000, -0.0005254600000000, 0.0014413800000000 ] - [ 0.0003324700000000, -0.0006277400000000, -0.0002401500000000 ] - [ -0.0008253500000000, 0.0003332800000000, 0.0008549200000000 ] - [ -0.0013955300000000, 0.0002327400000000, 0.0004634000000000 ] - [ 0.0004618400000000, -0.0002069000000000, -0.0002294500000000 ] - [ 0.0111311300000000, -0.0067998100000000, 0.0029969600000000 ] - [ 0.0056480000000000, 0.0000634700000000, -0.0013432200000000 ] - [ 0.0025505300000000, 0.0003164100000000, -0.0010341400000000 ] - [ 0.0304296900000000, 0.0218180300000000, -0.0049072400000000 ] - [ -0.0011706200000000, 0.0003615600000000, 0.0004142500000000 ] - [ 0.0008275500000000, -0.0003589100000000, 0.0004329000000000 ] - [ -0.0001170300000000, -0.0027441100000000, -0.0009736300000000 ] - [ 0.0005972500000000, 0.0004994400000000, 0.0009586100000000 ] - [ 0.0002103200000000, 0.0007041400000000, 0.0003631600000000 ] - [ -0.0004305500000000, 0.0004533800000000, -0.0008845700000000 ] - [ 0.0000223600000000, -0.0002236100000000, -0.0005300100000000 ] - [ -0.0014739600000000, 0.0012310400000000, 0.0012289600000000 ] - [ -0.3486161300000000, 0.0358612200000000, -0.0401794600000000 ] - [ 0.0021967400000000, -0.0005916600000000, -0.0000171700000000 ] - [ 0.0014242800000000, 0.0001348100000000, 0.0005710100000000 ] - [ -0.0015178000000000, 0.0003773200000000, 0.0001394400000000 ] - [ -0.0009284800000000, 0.0006619100000000, -0.0019477000000000 ] - [ 0.0023707000000000, 0.0010026900000000, 0.0026551700000000 ] - [ 0.0011094600000000, 0.0008412800000000, -0.0004783600000000 ] - [ 0.0180058800000000, -0.0111907600000000, 0.0155702600000000 ] - [ -0.0004792800000000, 0.0001912500000000, 0.0001032600000000 ] - [ 0.0005873400000000, 0.0004528000000000, 0.0008958800000000 ] - [ -0.0004325900000000, -0.0001473100000000, 0.0000540300000000 ] - [ 0.0009692700000000, -0.0009676000000000, 0.0011945600000000 ] - [ 0.0054429300000000, -0.0025740100000000, 0.0074682500000000 ] - [ -0.0000988500000000, -0.0005504600000000, -0.0018068400000000 ] - [ 0.0022108000000000, -0.0004602300000000, 0.0001968300000000 ] - [ 0.0194593000000000, -0.0133135600000000, -0.0082117300000000 ] - [ -0.0018274400000000, -0.0012957000000000, 0.0001205800000000 ] - [ 0.0010892200000000, -0.0002170800000000, 0.0000246400000000 ] - [ -0.0002014100000000, -0.0001720400000000, -0.0008808300000000 ] - [ 0.0007207100000000, -0.0000588900000000, 0.0005267300000000 ] - [ 0.0003103200000000, 0.0003907600000000, 0.0017354000000000 ] - [ -0.0012399800000000, 0.0003658500000000, -0.0013378300000000 ] - [ 0.0007487100000000, 0.0014277500000000, -0.0008065200000000 ] - [ 0.0015690600000000, -0.0015601200000000, 0.0020231900000000 ] - [ -0.0003794900000000, 0.0000158500000000, 0.0002588300000000 ] - [ -0.0003077000000000, 0.0002933200000000, -0.0005163300000000 ] - [ 0.0015367500000000, 0.0015016500000000, -0.0009811900000000 ] - [ 0.0014251400000000, -0.0034646100000000, 0.0001288300000000 ] - [ -0.0024197000000000, -0.0026551600000000, 0.0014003400000000 ] - [ 0.0012200500000000, -0.0000982500000000, -0.0000306000000000 ] - [ 0.0017336200000000, 0.0008387400000000, 0.0026201100000000 ] - [ 0.0012021600000000, -0.0030377100000000, -0.0039397700000000 ] - [ -0.0045610100000000, -0.0043619900000000, 0.0004357900000000 ] - [ 0.0015243300000000, 0.0002002500000000, 0.0001456100000000 ] - [ -0.0004432100000000, 0.0000833600000000, -0.0016014100000000 ] - [ 0.0006736300000000, 0.0002179000000000, 0.0011523600000000 ] - [ 0.0011563900000000, 0.0003494400000000, 0.0008830400000000 ] - [ -0.0055763700000000, 0.0004783400000000, 0.0000448600000000 ] - [ 0.0099029500000000, 0.0081519900000000, 0.0031386900000000 ] - [ 0.0035100600000000, -0.0008783400000000, 0.0002837600000000 ] - [ 0.0001958700000000, -0.0009964000000000, 0.0001738700000000 ] - [ 0.0015560500000000, -0.0001492300000000, -0.0005902200000000 ] - [ 0.0007629000000000, 0.0002226600000000, -0.0005428900000000 ] - [ 0.0004729500000000, -0.0006842200000000, 0.0009832800000000 ] - [ 0.0010850800000000, -0.0004918400000000, 0.0008517200000000 ] - [ -0.0007295500000000, -0.0006027200000000, -0.0004101300000000 ] - [ 0.0001233700000000, -0.0002372600000000, 0.0002085200000000 ] - [ 0.0000566300000000, 0.0000020900000000, -0.0004895700000000 ] - [ 0.0060365900000000, 0.0035350800000000, -0.0061307700000000 ] - [ 0.0013252100000000, 0.0003068400000000, 0.0004786600000000 ] - [ 0.0006329500000000, -0.0001740200000000, -0.0003737700000000 ] - [ -0.0003430000000000, -0.0007991400000000, -0.0003008400000000 ] - [ -0.0029621000000000, 0.0001870300000000, -0.0003556300000000 ] - [ 0.0005514300000000, -0.0000692200000000, 0.0002749100000000 ] - [ -0.0072602800000000, 0.0026086000000000, -0.0004291200000000 ] - [ -0.0108174900000000, -0.0097192700000000, 0.0108764400000000 ] - [ 0.0011391400000000, 0.0006826600000000, 0.0011384300000000 ] - [ -0.0021463300000000, 0.0005298800000000, 0.0002990000000000 ] - [ 0.0014876200000000, 0.0014582400000000, 0.0017142500000000 ] - [ -0.0022785600000000, -0.0000697700000000, -0.0001866700000000 ] - [ -0.0018332600000000, -0.0029348000000000, -0.0051117100000000 ] - [ 0.0015495600000000, -0.0008413700000000, 0.0016140600000000 ] - [ -0.0010475800000000, -0.0000913300000000, -0.0006867400000000 ] - [ 0.0015331800000000, -0.0003754000000000, 0.0007944700000000 ] - [ 0.0005182900000000, -0.0007881700000000, 0.0014642900000000 ] - [ 0.0000301800000000, 0.0009584000000000, -0.0025258300000000 ] - [ 0.0033452200000000, 0.0028405200000000, -0.0013322700000000 ] - [ -0.0014892800000000, -0.0000788800000000, -0.0004938100000000 ] - [ -0.0060064000000000, -0.0024585400000000, -0.0015552000000000 ] - [ -0.0100543800000000, 0.0092918500000000, 0.0026250000000000 ] - [ -0.0008788200000000, 0.0004739100000000, -0.0006056400000000 ] - [ 0.0006505700000000, 0.0012324100000000, 0.0004151200000000 ] - [ -0.0000430500000000, 0.0033035800000000, 0.0029712500000000 ] - [ 0.0002839600000000, -0.0006213500000000, -0.0028668000000000 ] - [ -0.0028851500000000, -0.0001128100000000, -0.0004500200000000 ] - [ 0.2422258700000000, -0.0274879400000000, 0.0113851100000000 ] - [ 0.0036358700000000, -0.0024707700000000, 0.0011248500000000 ] - [ -0.0011576900000000, -0.0005452000000000, -0.0004673500000000 ] - [ 0.0028988700000000, 0.0001795600000000, 0.0017784900000000 ] - [ -0.0016829700000000, -0.0000958300000000, -0.0015079600000000 ] - [ -0.0022883600000000, -0.0001366400000000, 0.0004752200000000 ] - [ 0.0030351200000000, 0.0078908600000000, -0.0014833500000000 ] - [ -0.0006044500000000, 0.0022584500000000, -0.0023424000000000 ] - [ -0.0006315200000000, -0.0006032700000000, 0.0023566700000000 ] - [ 0.0022761500000000, -0.0091308000000000, 0.0035324600000000 ] - [ -0.0034200300000000, 0.0010635500000000, -0.0011934600000000 ] - [ -0.0027542000000000, -0.0003992400000000, 0.0029363000000000 ] - [ -0.0047200100000000, -0.0010817500000000, -0.0100196300000000 ] - [ -0.0001712000000000, 0.0014007700000000, 0.0003116800000000 ] - [ 0.0006875100000000, 0.0013489000000000, 0.0001594300000000 ] - [ -0.0000845900000000, -0.0003999200000000, -0.0001845800000000 ] - [ -0.0008462800000000, -0.0010029100000000, 0.0014818000000000 ] - [ 0.0176161500000000, -0.0005127000000000, 0.0138312000000000 ] - [ -0.0033180200000000, -0.0010550000000000, 0.0009908700000000 ] - [ 0.0037825900000000, 0.0006720900000000, 0.0037343000000000 ] - [ -0.0018087800000000, 0.0001182900000000, -0.0019565800000000 ] - [ -0.0028603900000000, 0.0006311300000000, 0.0003283600000000 ] - [ 0.0055939600000000, -0.0034314500000000, -0.0021949100000000 ] - [ -0.0007630400000000, -0.0006243300000000, -0.0013309500000000 ] - [ -0.0003789500000000, 0.0009007200000000, 0.0019816000000000 ] - [ 0.0117950800000000, -0.0012155300000000, 0.0032722100000000 ] - [ -0.0039200700000000, -0.0009552700000000, -0.0018351400000000 ]- atom: 35 displacement: [ -0.0099999999206514, 0.0000000000000000, -0.0000012597509720 ] forces: - [ 0.0038054700000000, -0.0035311100000000, -0.0006119000000000 ] - [ -0.0012656900000000, 0.0003094400000000, 0.0003595800000000 ] - [ -0.0015323300000000, 0.0019266500000000, 0.0003690800000000 ] - [ -0.0012821400000000, -0.0053774000000000, 0.0001206700000000 ] - [ 0.0001269600000000, -0.0000934300000000, -0.0003448600000000 ] - [ 0.0002917600000000, 0.0001364400000000, 0.0000633600000000 ] - [ -0.0045916900000000, 0.0003136700000000, 0.0042125400000000 ] - [ -0.0014712100000000, -0.0015860600000000, -0.0015203100000000 ] - [ -0.0017822800000000, 0.0003764800000000, -0.0026050100000000 ] - [ 0.0003802000000000, -0.0024172000000000, 0.0043612200000000 ] - [ 0.0033701800000000, -0.0005501600000000, 0.0013957100000000 ] - [ -0.0021521100000000, -0.0004720900000000, -0.0000098000000000 ] - [ 0.0000561500000000, 0.0008673800000000, 0.0024814600000000 ] - [ -0.0015461000000000, 0.0006258800000000, -0.0014910400000000 ] - [ -0.0006307200000000, 0.0006661600000000, -0.0010363700000000 ] - [ 0.0035911000000000, 0.0006881100000000, 0.0000303300000000 ] - [ 0.0004557900000000, -0.0003042500000000, 0.0004318300000000 ] - [ 0.0011248100000000, 0.0008103800000000, -0.0018915000000000 ] - [ -0.0015098600000000, 0.0009094000000000, 0.0006865700000000 ] - [ -0.0003495800000000, -0.0000515200000000, -0.0004071800000000 ] - [ 0.0002054800000000, -0.0005197200000000, -0.0000174600000000 ] - [ -0.0016438700000000, -0.0000751800000000, 0.0006802500000000 ] - [ -0.0098382400000000, 0.0064428500000000, -0.0033877600000000 ] - [ -0.0044942500000000, -0.0003444400000000, 0.0009006200000000 ] - [ -0.0025413100000000, -0.0004074900000000, 0.0000569600000000 ] - [ -0.0308505400000000, -0.0222447200000000, 0.0039390800000000 ] - [ 0.0011746500000000, -0.0004604400000000, 0.0005542100000000 ] - [ -0.0008344800000000, 0.0002678000000000, 0.0005431600000000 ] - [ 0.0001145300000000, 0.0028163100000000, 0.0019427500000000 ] - [ -0.0006025400000000, -0.0004093800000000, 0.0000139400000000 ] - [ -0.0002068200000000, -0.0006145000000000, -0.0013421700000000 ] - [ 0.0004341400000000, -0.0003607900000000, -0.0000863300000000 ] - [ -0.0010991100000000, 0.0004073900000000, 0.0008459000000000 ] - [ 0.0004020900000000, -0.0010493000000000, -0.0009076100000000 ] - [ 0.3652847100000000, -0.0388615000000000, 0.0405068300000000 ] - [ -0.0027270500000000, -0.0002556300000000, -0.0006035100000000 ] - [ -0.0008989400000000, 0.0007134000000000, 0.0000461900000000 ] - [ 0.0020459800000000, 0.0004710600000000, 0.0004831600000000 ] - [ 0.0004024200000000, 0.0001870900000000, 0.0013286700000000 ] - [ -0.0029057300000000, -0.0001558800000000, -0.0032815000000000 ] - [ -0.0013694700000000, 0.0001472300000000, -0.0004934800000000 ] - [ -0.0183988400000000, 0.0123087300000000, -0.0167146100000000 ] - [ 0.0007409200000000, 0.0007960700000000, 0.0008641600000000 ] - [ -0.0003288700000000, 0.0005331300000000, 0.0000755200000000 ] - [ 0.0006878000000000, -0.0008435300000000, 0.0009205300000000 ] - [ -0.0007122500000000, -0.0000176100000000, -0.0002267600000000 ] - [ -0.0057099000000000, 0.0015950300000000, -0.0084920100000000 ] - [ -0.0001604300000000, -0.0004357900000000, 0.0008431300000000 ] - [ -0.0024132800000000, -0.0002468100000000, -0.0000418600000000 ] - [ -0.0198758600000000, 0.0127397700000000, 0.0084831300000000 ] - [ 0.0020360700000000, 0.0005906400000000, -0.0002774700000000 ] - [ -0.0008916600000000, -0.0004938500000000, -0.0001775200000000 ] - [ 0.0004007800000000, 0.0008785100000000, 0.0007278500000000 ] - [ -0.0005214900000000, 0.0007683800000000, -0.0006831300000000 ] - [ -0.0005091300000000, 0.0003190300000000, -0.0015912500000000 ] - [ 0.0010352900000000, 0.0003419500000000, 0.0014991900000000 ] - [ -0.0003834300000000, -0.0007672100000000, 0.0013783400000000 ] - [ -0.0012018300000000, 0.0022237900000000, -0.0014589000000000 ] - [ 0.0000119000000000, 0.0006447600000000, -0.0008332600000000 ] - [ -0.0000606700000000, 0.0003678500000000, -0.0000416700000000 ] - [ -0.0019083000000000, -0.0021587400000000, 0.0004100500000000 ] - [ -0.0017975500000000, 0.0028189800000000, -0.0007045400000000 ] - [ 0.0027788300000000, 0.0020237100000000, -0.0008593000000000 ] - [ -0.0008546800000000, -0.0005623400000000, 0.0006022700000000 ] - [ -0.0017970100000000, -0.0013039600000000, -0.0020993400000000 ] - [ -0.0012706600000000, 0.0025870700000000, 0.0044792900000000 ] - [ 0.0046045100000000, 0.0039409400000000, -0.0009416800000000 ] - [ -0.0014656100000000, -0.0006694000000000, -0.0006626400000000 ] - [ 0.0005071400000000, 0.0003831000000000, 0.0010859500000000 ] - [ -0.0006139600000000, 0.0002495200000000, -0.0016711300000000 ] - [ -0.0012194600000000, 0.0001180900000000, -0.0003717600000000 ] - [ 0.0055168300000000, 0.0000193600000000, 0.0005101400000000 ] - [ -0.0108986100000000, -0.0082597200000000, -0.0027645200000000 ] - [ -0.0046036600000000, 0.0006974800000000, 0.0000327400000000 ] - [ 0.0008712400000000, 0.0008140000000000, -0.0004941600000000 ] - [ -0.0004802300000000, -0.0000361500000000, 0.0002724800000000 ] - [ 0.0003140400000000, -0.0000381000000000, 0.0002223000000000 ] - [ 0.0006061300000000, 0.0008698200000000, -0.0013040800000000 ] - [ -0.0005615400000000, -0.0003575000000000, -0.0002326200000000 ] - [ 0.0012638600000000, -0.0002457200000000, 0.0010317300000000 ] - [ 0.0000569300000000, 0.0005045700000000, -0.0005788900000000 ] - [ 0.0001234100000000, 0.0002642300000000, 0.0001220700000000 ] - [ -0.0061741500000000, -0.0032377400000000, 0.0064327800000000 ] - [ -0.0015085700000000, -0.0000404900000000, -0.0001117700000000 ] - [ -0.0004535400000000, -0.0000932000000000, 0.0000053100000000 ] - [ 0.0005279800000000, 0.0005335900000000, -0.0000672500000000 ] - [ 0.0027904500000000, -0.0004557200000000, 0.0007134600000000 ] - [ -0.0007340200000000, -0.0001968100000000, 0.0000952700000000 ] - [ 0.0058268300000000, -0.0042495400000000, 0.0013305800000000 ] - [ 0.0094307400000000, 0.0081006200000000, -0.0100157800000000 ] - [ -0.0026240000000000, -0.0000621000000000, 0.0002726200000000 ] - [ 0.0006781500000000, 0.0000888500000000, 0.0011068400000000 ] - [ -0.0029528500000000, -0.0020663900000000, -0.0003155200000000 ] - [ 0.0008088000000000, -0.0005473000000000, 0.0015980900000000 ] - [ 0.0033137900000000, 0.0023306400000000, 0.0037208000000000 ] - [ -0.0000760900000000, 0.0002241600000000, -0.0030305900000000 ] - [ 0.0000537000000000, -0.0005067100000000, 0.0013165800000000 ] - [ -0.0025298900000000, -0.0002140000000000, -0.0001985000000000 ] - [ 0.0004726200000000, 0.0001928300000000, -0.0020879700000000 ] - [ 0.0009598700000000, -0.0015579000000000, 0.0019080300000000 ] - [ -0.0023465200000000, -0.0022723000000000, 0.0007212400000000 ] - [ 0.0024846100000000, 0.0006780300000000, -0.0001295300000000 ] - [ 0.0050297400000000, 0.0030611600000000, 0.0021813700000000 ] - [ 0.0090936800000000, -0.0087226000000000, -0.0020018200000000 ] - [ -0.0005431200000000, 0.0011753000000000, 0.0015153900000000 ] - [ -0.0020777200000000, 0.0004145100000000, 0.0004745500000000 ] - [ 0.0014571400000000, -0.0016561300000000, -0.0038668700000000 ] - [ 0.0011348100000000, 0.0022760000000000, 0.0019729100000000 ] - [ 0.0043589100000000, 0.0007252700000000, -0.0009569200000000 ] - [ -0.2578810200000000, 0.0306571500000000, -0.0139593400000000 ] - [ -0.0022090000000000, 0.0008487500000000, -0.0020075100000000 ] - [ 0.0025829900000000, -0.0011052100000000, -0.0004363800000000 ] - [ -0.0026457500000000, 0.0002790200000000, -0.0019167200000000 ] - [ 0.0019575900000000, 0.0005590400000000, 0.0013560400000000 ] - [ 0.0020175000000000, 0.0005986400000000, -0.0003261800000000 ] - [ -0.0033400300000000, -0.0074393000000000, 0.0016260300000000 ] - [ 0.0003450400000000, -0.0027259600000000, 0.0024902300000000 ] - [ 0.0003610500000000, 0.0001425700000000, -0.0022183800000000 ] - [ -0.0019418000000000, 0.0087033200000000, -0.0037032300000000 ] - [ 0.0037012000000000, -0.0015307500000000, 0.0010518500000000 ] - [ 0.0024327600000000, 0.0022926700000000, -0.0036472300000000 ] - [ 0.0044063100000000, 0.0029804300000000, 0.0093258900000000 ] - [ 0.0004897900000000, 0.0004949400000000, 0.0004096500000000 ] - [ -0.0003706300000000, 0.0005459400000000, 0.0005531200000000 ] - [ 0.0004141000000000, -0.0014923700000000, 0.0008969300000000 ] - [ 0.0011643900000000, -0.0008905200000000, -0.0007703800000000 ] - [ -0.0178451500000000, -0.0014102700000000, -0.0139005900000000 ] - [ 0.0030072900000000, -0.0008422600000000, -0.0017134200000000 ] - [ -0.0033869800000000, -0.0004066200000000, -0.0040921800000000 ] - [ 0.0022365700000000, 0.0001471400000000, 0.0016021600000000 ] - [ 0.0024366000000000, -0.0003628900000000, 0.0000279900000000 ] - [ -0.0060603600000000, 0.0037011200000000, 0.0025584500000000 ] - [ 0.0003467300000000, 0.0003591200000000, 0.0016890300000000 ] - [ -0.0000441000000000, -0.0011704700000000, -0.0016347600000000 ] - [ -0.0109890400000000, 0.0005507500000000, -0.0039896600000000 ] - [ 0.0043553900000000, 0.0006910000000000, 0.0014912200000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006003200000000, 0.0006403400000000, 0.0034148000000000 ] - [ -0.0002389500000000, -0.0001127000000000, 0.0000830100000000 ] - [ -0.0006122100000000, 0.0009785300000000, -0.0000609600000000 ] - [ 0.0014227300000000, 0.0022292100000000, -0.0005143000000000 ] - [ 0.0000699300000000, 0.0004079100000000, 0.0002127100000000 ] - [ 0.0001599400000000, 0.0006513900000000, -0.0004853300000000 ] - [ -0.0047041800000000, -0.0007846800000000, 0.0037094600000000 ] - [ 0.0000104900000000, -0.0010545200000000, 0.0004408100000000 ] - [ -0.0002213500000000, -0.0004101900000000, -0.0011867000000000 ] - [ 0.0012117400000000, -0.0004114600000000, -0.0014904000000000 ] - [ -0.0000377600000000, 0.0057550300000000, 0.0020577000000000 ] - [ -0.0008581600000000, -0.0004946000000000, 0.0003377900000000 ] - [ -0.0005084900000000, 0.0008355600000000, 0.0009852400000000 ] - [ -0.0005943700000000, 0.0005203800000000, 0.0001536800000000 ] - [ 0.0003649700000000, 0.0007030200000000, -0.0003706400000000 ] - [ 0.0006718400000000, 0.0014602400000000, -0.0024234600000000 ] - [ 0.0005139400000000, -0.0001257400000000, 0.0003073000000000 ] - [ 0.0005521600000000, 0.0001456200000000, -0.0011546800000000 ] - [ -0.0014586100000000, 0.0008686700000000, 0.0004296300000000 ] - [ 0.0002508400000000, 0.0004886900000000, 0.0010887700000000 ] - [ 0.0009111200000000, 0.0012467800000000, 0.0009676700000000 ] - [ -0.0007351200000000, 0.0002852600000000, 0.0002354500000000 ] - [ -0.0047085700000000, 0.0004345300000000, -0.0033474300000000 ] - [ 0.0029978500000000, -0.0008781900000000, -0.0008281000000000 ] - [ -0.0010691800000000, -0.0007086000000000, -0.0002951800000000 ] - [ 0.0208855400000000, 0.0047719100000000, -0.0028133600000000 ] - [ -0.0007316900000000, 0.0019144400000000, 0.0014656500000000 ] - [ -0.0001240500000000, 0.0003642300000000, 0.0005226700000000 ] - [ -0.0004339000000000, 0.0022129000000000, 0.0013096600000000 ] - [ 0.0002019000000000, 0.0003167200000000, 0.0004624600000000 ] - [ -0.0000269100000000, -0.0001668200000000, -0.0003102100000000 ] - [ 0.0002879900000000, -0.0006882000000000, -0.0007518200000000 ] - [ -0.0010185900000000, -0.0004002400000000, 0.0002829000000000 ] - [ 0.0006008100000000, -0.0011129800000000, 0.0004842700000000 ] - [ 0.0365015300000000, -0.0678306900000000, -0.0074646500000000 ] - [ -0.0004288100000000, -0.0009128300000000, -0.0003906600000000 ] - [ -0.0000237700000000, 0.0007886000000000, 0.0003042800000000 ] - [ 0.0002134100000000, 0.0018894600000000, 0.0009384700000000 ] - [ -0.0005011100000000, -0.0003028800000000, 0.0002680400000000 ] - [ -0.0008445300000000, 0.0001730200000000, -0.0011309200000000 ] - [ -0.0001855200000000, -0.0000527900000000, -0.0006585200000000 ] - [ -0.0146694100000000, -0.0004162700000000, -0.0103723400000000 ] - [ 0.0001891300000000, 0.0013701400000000, 0.0002254900000000 ] - [ 0.0002057000000000, 0.0008811100000000, 0.0005957500000000 ] - [ 0.0002979800000000, 0.0015973500000000, 0.0000965300000000 ] - [ -0.0000013000000000, 0.0001741400000000, 0.0004573300000000 ] - [ 0.0004026700000000, -0.0010031400000000, 0.0003467500000000 ] - [ -0.0001307600000000, -0.0011480700000000, -0.0001587600000000 ] - [ 0.0008258600000000, -0.0010789200000000, -0.0002064400000000 ] - [ -0.0137659400000000, 0.0020604500000000, 0.0044094400000000 ] - [ 0.0013973800000000, 0.0018543500000000, -0.0015752800000000 ] - [ 0.0001402800000000, -0.0000366900000000, -0.0001902100000000 ] - [ -0.0001746400000000, 0.0013578600000000, 0.0002061500000000 ] - [ -0.0002600000000000, 0.0009508900000000, -0.0000082000000000 ] - [ -0.0005630200000000, -0.0001562000000000, 0.0002672400000000 ] - [ -0.0005356700000000, -0.0010747300000000, 0.0013289900000000 ] - [ 0.0008701600000000, 0.0003453000000000, -0.0003764600000000 ] - [ -0.0005928100000000, 0.0011531900000000, -0.0004417500000000 ] - [ -0.0003354100000000, 0.0003287700000000, -0.0007478700000000 ] - [ 0.0000655600000000, 0.0005263700000000, 0.0009097700000000 ] - [ 0.0006053800000000, 0.0004848300000000, -0.0004820500000000 ] - [ -0.0014879800000000, 0.0013077800000000, -0.0002890200000000 ] - [ -0.0004360900000000, 0.0007745400000000, -0.0030365400000000 ] - [ 0.0002741000000000, -0.0004582200000000, 0.0003458600000000 ] - [ 0.0005372900000000, 0.0000511800000000, 0.0007997700000000 ] - [ -0.0010055900000000, 0.0012103700000000, 0.0019594200000000 ] - [ -0.0000971300000000, 0.0083182200000000, -0.0013817100000000 ] - [ 0.0000047700000000, -0.0001659700000000, -0.0002272600000000 ] - [ -0.0000801700000000, 0.0006882200000000, 0.0002005500000000 ] - [ 0.0000015200000000, 0.0004541300000000, -0.0004493100000000 ] - [ -0.0003159300000000, 0.0000515400000000, 0.0002457800000000 ] - [ 0.0022713700000000, 0.0020355100000000, 0.0063131900000000 ] - [ 0.0054834900000000, 0.0005238100000000, 0.0026786500000000 ] - [ -0.0028020700000000, -0.0002060200000000, 0.0000460500000000 ] - [ -0.0006739700000000, 0.0012110500000000, -0.0011021600000000 ] - [ 0.0006504800000000, 0.0003167800000000, -0.0000876800000000 ] - [ 0.0006365600000000, 0.0005957800000000, -0.0002037300000000 ] - [ 0.0005302300000000, 0.0011232300000000, -0.0009121100000000 ] - [ 0.0003327200000000, 0.0000964200000000, 0.0001825800000000 ] - [ 0.0004400500000000, 0.0004268300000000, 0.0002128700000000 ] - [ 0.0000121400000000, 0.0006787700000000, -0.0003146900000000 ] - [ 0.0000736900000000, 0.0006999900000000, -0.0001173900000000 ] - [ 0.0018544100000000, -0.0033316600000000, -0.0012015000000000 ] - [ -0.0006823500000000, -0.0004002400000000, 0.0001991600000000 ] - [ 0.0000699100000000, 0.0003702600000000, -0.0001882300000000 ] - [ 0.0000633100000000, 0.0017962100000000, -0.0001390000000000 ] - [ 0.0001164900000000, -0.0016759000000000, 0.0003854900000000 ] - [ -0.0000582500000000, -0.0005701500000000, 0.0002005600000000 ] - [ 0.0022180300000000, -0.0019531800000000, 0.0008397200000000 ] - [ -0.0048743300000000, -0.0032023400000000, 0.0045498600000000 ] - [ -0.0009707000000000, -0.0025776500000000, 0.0013007900000000 ] - [ -0.0007456700000000, -0.0005037000000000, 0.0007504000000000 ] - [ -0.0005479500000000, -0.0034004100000000, 0.0007984200000000 ] - [ -0.0004672100000000, -0.0011997300000000, 0.0006719300000000 ] - [ 0.0014047400000000, 0.0004743400000000, -0.0007637900000000 ] - [ 0.0010405200000000, 0.0012935200000000, -0.0014466600000000 ] - [ 0.0001868800000000, 0.0002716300000000, 0.0004185400000000 ] - [ -0.0014132400000000, 0.0019306100000000, -0.0039364600000000 ] - [ 0.0005918300000000, -0.0012104000000000, -0.0004670800000000 ] - [ 0.0007832700000000, -0.0012932800000000, 0.0002419000000000 ] - [ 0.0009731700000000, -0.0041123000000000, 0.0049577100000000 ] - [ 0.0003053400000000, -0.0000143500000000, -0.0002456600000000 ] - [ -0.0026715500000000, -0.0001629100000000, 0.0000652600000000 ] - [ 0.0044777800000000, -0.0040446200000000, -0.0003235600000000 ] - [ -0.0006103400000000, 0.0007134700000000, 0.0002774200000000 ] - [ -0.0009173100000000, 0.0007192100000000, 0.0025780500000000 ] - [ 0.0016543700000000, -0.0010452300000000, -0.0021667900000000 ] - [ -0.0001051100000000, 0.0011967000000000, -0.0003720400000000 ] - [ 0.0010083800000000, 0.0018112800000000, -0.0002625200000000 ] - [ -0.0242448700000000, 0.0380510300000000, -0.0014913800000000 ] - [ -0.0007626300000000, -0.0043918300000000, -0.0052309300000000 ] - [ 0.0010487600000000, -0.0011302500000000, -0.0006414000000000 ] - [ -0.0003132300000000, 0.0008700100000000, 0.0010457100000000 ] - [ 0.0001586000000000, 0.0006310900000000, -0.0000584600000000 ] - [ -0.0002834700000000, -0.0000257300000000, 0.0002896900000000 ] - [ 0.0020667500000000, -0.0052150300000000, 0.0025485600000000 ] - [ 0.0007163700000000, -0.0002467400000000, 0.0015424000000000 ] - [ -0.0006266700000000, -0.0004589800000000, -0.0001448400000000 ] - [ -0.0072526400000000, -0.0056313600000000, 0.0043717500000000 ] - [ 0.0014811100000000, -0.0007578500000000, 0.0002135400000000 ] - [ 0.0001389300000000, 0.0034694200000000, -0.0006625400000000 ] - [ 0.0016227300000000, 0.0036764500000000, 0.0032112900000000 ] - [ 0.0004917800000000, -0.0001850100000000, 0.0003665900000000 ] - [ -0.0001826800000000, -0.0007286000000000, -0.0000735400000000 ] - [ 0.0002498300000000, -0.0034742900000000, 0.0005016200000000 ] - [ 0.0000088900000000, -0.0032604900000000, 0.0002825600000000 ] - [ -0.0019230700000000, 0.0087882700000000, 0.0001372400000000 ] - [ 0.0000638400000000, 0.0007135500000000, -0.0005502600000000 ] - [ 0.0007591900000000, 0.0004191900000000, -0.0031142300000000 ] - [ -0.0000305300000000, 0.0003893300000000, 0.0002003700000000 ] - [ 0.0006095700000000, -0.0004312300000000, 0.0002333400000000 ] - [ -0.0037304700000000, -0.0047488600000000, -0.0017586800000000 ] - [ -0.0004715200000000, -0.0011104200000000, -0.0003398500000000 ] - [ 0.0001179200000000, -0.0012972400000000, -0.0002681700000000 ] - [ 0.0008537400000000, 0.0139303500000000, -0.0005171900000000 ] - [ 0.0000654800000000, 0.0007370700000000, -0.0007473700000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009120100000000, -0.0005696100000000, -0.0032724400000000 ] - [ -0.0000755300000000, 0.0001947500000000, 0.0000345100000000 ] - [ 0.0009341100000000, -0.0008958300000000, -0.0000559500000000 ] - [ -0.0011018200000000, -0.0021229000000000, 0.0003968300000000 ] - [ 0.0002477500000000, -0.0004937100000000, -0.0003300100000000 ] - [ 0.0001553300000000, -0.0007354900000000, 0.0003641600000000 ] - [ 0.0044357000000000, 0.0007023000000000, -0.0036294800000000 ] - [ -0.0003248600000000, 0.0009762200000000, -0.0003180400000000 ] - [ 0.0014329300000000, -0.0008803400000000, 0.0005987300000000 ] - [ 0.0000007200000000, -0.0008712800000000, 0.0008789300000000 ] - [ -0.0011801900000000, -0.0069650700000000, -0.0014398300000000 ] - [ -0.0003467300000000, -0.0007968300000000, 0.0002586800000000 ] - [ -0.0007008200000000, 0.0004542400000000, -0.0004014400000000 ] - [ -0.0006149600000000, 0.0007720600000000, 0.0004440600000000 ] - [ 0.0008473800000000, 0.0005858800000000, -0.0002249200000000 ] - [ 0.0005257600000000, -0.0001692400000000, 0.0018161500000000 ] - [ 0.0006683600000000, 0.0004082000000000, -0.0007591900000000 ] - [ 0.0006228000000000, 0.0001332800000000, 0.0007085900000000 ] - [ 0.0002865900000000, -0.0005909900000000, 0.0000169400000000 ] - [ -0.0014359900000000, -0.0002047800000000, -0.0006419200000000 ] - [ -0.0020847000000000, -0.0015309000000000, -0.0005102700000000 ] - [ -0.0004428300000000, -0.0005688100000000, 0.0002115200000000 ] - [ 0.0059189300000000, -0.0007149300000000, 0.0029321900000000 ] - [ -0.0018070300000000, 0.0005960900000000, 0.0003764500000000 ] - [ 0.0010794300000000, 0.0006182500000000, -0.0006796700000000 ] - [ -0.0209480800000000, -0.0048221400000000, 0.0018292200000000 ] - [ 0.0007234800000000, -0.0020084700000000, -0.0004836800000000 ] - [ 0.0001214200000000, -0.0004582500000000, 0.0004519400000000 ] - [ 0.0004312900000000, -0.0021314600000000, -0.0003420700000000 ] - [ -0.0002054100000000, -0.0002227600000000, 0.0005133700000000 ] - [ 0.0000340900000000, 0.0002528900000000, -0.0006664700000000 ] - [ -0.0002838500000000, 0.0007801300000000, -0.0002260400000000 ] - [ -0.0000530200000000, 0.0005847600000000, 0.0000310300000000 ] - [ -0.0016850300000000, 0.0013026200000000, -0.0001642400000000 ] - [ -0.0381586800000000, 0.0678755200000000, 0.0073480600000000 ] - [ -0.0000926400000000, 0.0000638200000000, -0.0002286500000000 ] - [ 0.0005546700000000, 0.0000589600000000, 0.0003161300000000 ] - [ 0.0003071400000000, -0.0010432400000000, -0.0003251100000000 ] - [ -0.0000259200000000, 0.0011519700000000, -0.0008936900000000 ] - [ 0.0003139700000000, 0.0006721200000000, 0.0005123000000000 ] - [ -0.0000698600000000, 0.0010396500000000, -0.0003104000000000 ] - [ 0.0143774400000000, 0.0013195100000000, 0.0093646600000000 ] - [ 0.0000687300000000, -0.0003821800000000, 0.0007469900000000 ] - [ 0.0000529400000000, 0.0001056700000000, 0.0003737800000000 ] - [ -0.0000357800000000, -0.0025829400000000, 0.0008721900000000 ] - [ 0.0002617000000000, -0.0011620700000000, 0.0005142500000000 ] - [ -0.0006900400000000, 0.0000367600000000, -0.0013616200000000 ] - [ -0.0001279800000000, 0.0001610400000000, -0.0008164300000000 ] - [ -0.0010221500000000, 0.0003693700000000, 0.0003619200000000 ] - [ 0.0135326000000000, -0.0028270300000000, -0.0042197600000000 ] - [ -0.0012085400000000, -0.0025676100000000, 0.0014319500000000 ] - [ 0.0000621900000000, -0.0006722300000000, 0.0000361000000000 ] - [ 0.0003761600000000, -0.0006525500000000, -0.0003651000000000 ] - [ 0.0004609700000000, -0.0002434600000000, -0.0001446100000000 ] - [ 0.0003682300000000, 0.0008668500000000, -0.0001192700000000 ] - [ 0.0003337200000000, 0.0017876000000000, -0.0011813500000000 ] - [ -0.0004955200000000, 0.0003148800000000, 0.0009392600000000 ] - [ 0.0009651100000000, -0.0005020600000000, 0.0010153400000000 ] - [ -0.0000308300000000, 0.0003333400000000, 0.0001793700000000 ] - [ -0.0004348100000000, 0.0001328200000000, -0.0014850200000000 ] - [ -0.0009716100000000, -0.0011475000000000, -0.0000834900000000 ] - [ 0.0011205100000000, -0.0019790200000000, -0.0002779900000000 ] - [ 0.0008062400000000, -0.0014273900000000, 0.0036281800000000 ] - [ 0.0000962700000000, -0.0002004800000000, 0.0002210400000000 ] - [ -0.0005976100000000, -0.0005198400000000, -0.0002796900000000 ] - [ 0.0009480600000000, -0.0016842300000000, -0.0014532200000000 ] - [ 0.0001621100000000, -0.0089217500000000, 0.0008758000000000 ] - [ 0.0000613800000000, -0.0002996600000000, -0.0002881000000000 ] - [ 0.0001418600000000, -0.0002237800000000, -0.0007218100000000 ] - [ 0.0000610500000000, 0.0000107400000000, -0.0000645100000000 ] - [ 0.0002591700000000, 0.0004174800000000, 0.0002701200000000 ] - [ -0.0023624600000000, -0.0015742900000000, -0.0058387800000000 ] - [ -0.0065332200000000, -0.0007210400000000, -0.0023303800000000 ] - [ 0.0017322400000000, 0.0000189500000000, 0.0002721000000000 ] - [ 0.0017573300000000, -0.0013948600000000, 0.0007958000000000 ] - [ 0.0004294100000000, -0.0005011300000000, -0.0002337400000000 ] - [ 0.0004432300000000, -0.0004115300000000, -0.0001170900000000 ] - [ 0.0005436600000000, -0.0009415400000000, 0.0005934800000000 ] - [ 0.0001981200000000, -0.0009456400000000, 0.0004397400000000 ] - [ 0.0000828500000000, -0.0012761200000000, 0.0004051000000000 ] - [ 0.0001695200000000, -0.0004120300000000, -0.0000531400000000 ] - [ 0.0001071300000000, -0.0004341700000000, -0.0002531500000000 ] - [ -0.0020335300000000, 0.0035993400000000, 0.0015650500000000 ] - [ 0.0005047800000000, 0.0006659300000000, 0.0001696100000000 ] - [ 0.0001131200000000, -0.0006371300000000, -0.0001809200000000 ] - [ 0.0001129400000000, -0.0020647400000000, -0.0002301700000000 ] - [ -0.0002931700000000, 0.0014101700000000, -0.0000311600000000 ] - [ -0.0001221100000000, 0.0003042400000000, 0.0001683400000000 ] - [ -0.0036496500000000, 0.0003066400000000, 0.0000560300000000 ] - [ 0.0034023100000000, 0.0015168000000000, -0.0036037800000000 ] - [ -0.0004929000000000, 0.0031949700000000, 0.0001018000000000 ] - [ -0.0007303300000000, 0.0011222800000000, 0.0006569900000000 ] - [ -0.0009217000000000, 0.0027917100000000, 0.0006202500000000 ] - [ -0.0010089400000000, 0.0005818900000000, 0.0007336900000000 ] - [ 0.0000685900000000, -0.0010771800000000, -0.0006284000000000 ] - [ 0.0004314000000000, -0.0019130000000000, 0.0000469900000000 ] - [ -0.0011867900000000, -0.0008733000000000, 0.0002051700000000 ] - [ 0.0004302800000000, -0.0025367300000000, 0.0045685700000000 ] - [ 0.0003956400000000, 0.0006131700000000, -0.0001485200000000 ] - [ 0.0002103300000000, 0.0007024700000000, -0.0008690000000000 ] - [ 0.0000216500000000, 0.0047118600000000, -0.0056337700000000 ] - [ 0.0006809700000000, 0.0006094300000000, -0.0003762300000000 ] - [ 0.0016830500000000, 0.0007607300000000, 0.0005524800000000 ] - [ -0.0054993200000000, 0.0046680100000000, 0.0009553800000000 ] - [ -0.0008155600000000, 0.0009382800000000, 0.0006247000000000 ] - [ -0.0004966300000000, 0.0009335300000000, -0.0016688700000000 ] - [ -0.0002405800000000, 0.0027086900000000, 0.0012830600000000 ] - [ 0.0015304800000000, 0.0004442100000000, -0.0005344700000000 ] - [ 0.0004555500000000, -0.0011959700000000, -0.0011466600000000 ] - [ 0.0266758700000000, -0.0377942700000000, 0.0001220600000000 ] - [ 0.0021784500000000, 0.0027474500000000, 0.0042904100000000 ] - [ 0.0003686400000000, -0.0005168600000000, -0.0002608600000000 ] - [ 0.0005896200000000, -0.0004183600000000, -0.0011820400000000 ] - [ 0.0001166500000000, -0.0001711100000000, -0.0000904400000000 ] - [ 0.0000019100000000, 0.0004894200000000, -0.0001423900000000 ] - [ -0.0023077700000000, 0.0056976800000000, -0.0023898200000000 ] - [ -0.0009928900000000, -0.0002306800000000, -0.0014042400000000 ] - [ 0.0003494300000000, -0.0000069500000000, 0.0003025500000000 ] - [ 0.0074799400000000, 0.0051424900000000, -0.0044999500000000 ] - [ -0.0012157100000000, 0.0002992600000000, -0.0003625300000000 ] - [ -0.0004672400000000, -0.0015838300000000, -0.0000430700000000 ] - [ -0.0019537900000000, -0.0017893900000000, -0.0039565500000000 ] - [ -0.0001768200000000, 0.0020816500000000, 0.0003486900000000 ] - [ 0.0005061100000000, 0.0026261800000000, 0.0007926800000000 ] - [ 0.0000587600000000, 0.0015810400000000, 0.0002076100000000 ] - [ 0.0003104500000000, 0.0013626800000000, 0.0004361000000000 ] - [ 0.0015412100000000, -0.0107232200000000, -0.0010559600000000 ] - [ -0.0003897700000000, -0.0026103000000000, -0.0001598800000000 ] - [ -0.0003326300000000, -0.0001421700000000, 0.0027730400000000 ] - [ 0.0004542400000000, -0.0001215300000000, -0.0005573100000000 ] - [ -0.0010433100000000, 0.0006970400000000, 0.0001188100000000 ] - [ 0.0033517000000000, 0.0050054600000000, 0.0021116700000000 ] - [ 0.0000444700000000, 0.0008478000000000, 0.0006869300000000 ] - [ -0.0005420000000000, 0.0010351100000000, 0.0006280200000000 ] - [ -0.0000640600000000, -0.0144778400000000, -0.0001465500000000 ] - [ 0.0003473600000000, -0.0010066400000000, 0.0003916500000000 ]- atom: 35 displacement: [ -0.0050436217710434, 0.0000000000000000, 0.0086349220859633 ] forces: - [ 0.0004213200000000, 0.0046330200000000, 0.0016793100000000 ] - [ -0.0006519800000000, 0.0001263700000000, 0.0004248700000000 ] - [ -0.0004613400000000, 0.0006609600000000, -0.0004212300000000 ] - [ -0.0001503500000000, -0.0028418500000000, -0.0004509600000000 ] - [ 0.0000948500000000, 0.0003156100000000, 0.0002679000000000 ] - [ -0.0000085600000000, -0.0002704700000000, 0.0007296800000000 ] - [ -0.0060356500000000, 0.0002310500000000, 0.0049867500000000 ] - [ 0.0001457900000000, -0.0001757600000000, -0.0006982500000000 ] - [ 0.0003865900000000, -0.0004295500000000, -0.0015468700000000 ] - [ -0.0005488200000000, -0.0018691600000000, 0.0015360200000000 ] - [ 0.0008920400000000, -0.0004866300000000, -0.0024608900000000 ] - [ -0.0012454900000000, -0.0005420800000000, 0.0001271300000000 ] - [ -0.0011350700000000, 0.0007622100000000, 0.0026529500000000 ] - [ 0.0000605900000000, 0.0004668600000000, 0.0004338100000000 ] - [ 0.0001802500000000, 0.0007618600000000, -0.0000730600000000 ] - [ 0.0019373200000000, -0.0007061700000000, 0.0007277400000000 ] - [ 0.0000959200000000, -0.0001541700000000, 0.0012074000000000 ] - [ 0.0012655600000000, 0.0000944600000000, 0.0002345700000000 ] - [ -0.0021062400000000, 0.0010606800000000, 0.0008545300000000 ] - [ 0.0006020700000000, 0.0002989800000000, 0.0003683200000000 ] - [ 0.0003949200000000, 0.0006824000000000, -0.0005093600000000 ] - [ -0.0011634200000000, 0.0000124300000000, 0.0004503800000000 ] - [ -0.0022554000000000, 0.0003573500000000, -0.0069462200000000 ] - [ -0.0017963400000000, -0.0003314400000000, 0.0001647700000000 ] - [ -0.0008457700000000, -0.0002011100000000, -0.0006470400000000 ] - [ -0.0151696400000000, -0.0108756800000000, -0.0059585200000000 ] - [ -0.0001874200000000, 0.0013071300000000, 0.0003679700000000 ] - [ -0.0002515600000000, 0.0001529600000000, 0.0006428600000000 ] - [ -0.0006550200000000, 0.0031311700000000, 0.0019325800000000 ] - [ 0.0001345100000000, -0.0000094600000000, 0.0002620800000000 ] - [ 0.0000206700000000, 0.0006309000000000, 0.0000985100000000 ] - [ -0.0002820200000000, -0.0004314500000000, 0.0004756900000000 ] - [ -0.0017254900000000, 0.0004629600000000, 0.0018247500000000 ] - [ 0.0010586000000000, -0.0001868900000000, 0.0013112500000000 ] - [ 0.1455079200000000, -0.0255326600000000, -0.0675231800000000 ] - [ -0.0012482900000000, -0.0004097500000000, -0.0005118800000000 ] - [ -0.0000924300000000, 0.0005641500000000, 0.0003750000000000 ] - [ 0.0010087300000000, 0.0009910200000000, 0.0003992400000000 ] - [ -0.0013445300000000, -0.0001952900000000, 0.0018073900000000 ] - [ 0.0009746300000000, 0.0008419100000000, 0.0002484900000000 ] - [ -0.0011465200000000, 0.0001853300000000, -0.0009438900000000 ] - [ 0.0083541300000000, -0.0024372000000000, -0.0037097600000000 ] - [ 0.0001155700000000, 0.0003010000000000, 0.0008916400000000 ] - [ 0.0003091100000000, 0.0006452900000000, 0.0008021500000000 ] - [ 0.0000155200000000, -0.0006072000000000, -0.0000009900000000 ] - [ -0.0001477900000000, -0.0002700100000000, 0.0000682100000000 ] - [ 0.0040982400000000, -0.0026436300000000, 0.0062874300000000 ] - [ -0.0003955100000000, -0.0005422700000000, 0.0012378500000000 ] - [ -0.0003707100000000, -0.0005001100000000, -0.0002477500000000 ] - [ -0.0213096900000000, 0.0118636400000000, 0.0025238100000000 ] - [ 0.0008486200000000, -0.0000267400000000, -0.0011958800000000 ] - [ -0.0002138100000000, -0.0003563500000000, -0.0000412400000000 ] - [ -0.0003182700000000, 0.0011497600000000, 0.0007235100000000 ] - [ 0.0002715300000000, 0.0003252500000000, -0.0001732600000000 ] - [ -0.0005987100000000, 0.0001457500000000, 0.0012415300000000 ] - [ -0.0004293200000000, -0.0003323500000000, 0.0031696400000000 ] - [ -0.0008175300000000, -0.0008534600000000, 0.0011339800000000 ] - [ 0.0006684600000000, 0.0001898200000000, 0.0000449400000000 ] - [ -0.0004245900000000, 0.0000970900000000, 0.0004015000000000 ] - [ -0.0000716000000000, 0.0010629300000000, 0.0017785600000000 ] - [ -0.0005540600000000, -0.0004071900000000, -0.0006980300000000 ] - [ -0.0009211200000000, 0.0018568200000000, -0.0020203900000000 ] - [ 0.0013557300000000, -0.0042643800000000, 0.0008380100000000 ] - [ -0.0002400700000000, -0.0004478100000000, 0.0007689700000000 ] - [ 0.0000427700000000, -0.0003564000000000, -0.0004806500000000 ] - [ -0.0018177900000000, 0.0021643400000000, 0.0030048400000000 ] - [ 0.0027175800000000, 0.0034750700000000, -0.0046511800000000 ] - [ -0.0005847100000000, -0.0004236300000000, -0.0003753600000000 ] - [ -0.0003979700000000, 0.0008525400000000, 0.0012394600000000 ] - [ 0.0003018000000000, 0.0002725600000000, -0.0002140900000000 ] - [ -0.0007205300000000, -0.0000607900000000, 0.0005608400000000 ] - [ 0.0047909700000000, 0.0055697200000000, 0.0058146800000000 ] - [ -0.0013318900000000, -0.0000763800000000, -0.0050712900000000 ] - [ -0.0038399700000000, 0.0005884700000000, -0.0005061200000000 ] - [ 0.0010999800000000, -0.0004559700000000, -0.0015308700000000 ] - [ 0.0000354100000000, 0.0000115400000000, 0.0001563500000000 ] - [ -0.0000493700000000, -0.0000527300000000, 0.0002878500000000 ] - [ 0.0010123100000000, 0.0002811900000000, -0.0002663200000000 ] - [ 0.0003172800000000, -0.0002802100000000, 0.0000693800000000 ] - [ 0.0001431400000000, -0.0002512400000000, 0.0005669100000000 ] - [ 0.0000885700000000, -0.0000097900000000, -0.0001285900000000 ] - [ -0.0001353600000000, 0.0003890600000000, 0.0002316000000000 ] - [ -0.0096731500000000, -0.0041516100000000, 0.0063108600000000 ] - [ 0.0000791600000000, 0.0001296600000000, -0.0000787400000000 ] - [ -0.0000918600000000, -0.0000548000000000, -0.0002035100000000 ] - [ 0.0006123600000000, 0.0001415400000000, -0.0006542000000000 ] - [ -0.0011639600000000, -0.0006313000000000, 0.0038575600000000 ] - [ -0.0002122300000000, -0.0002894100000000, 0.0004037400000000 ] - [ 0.0014047200000000, -0.0017768400000000, 0.0015445000000000 ] - [ 0.0047527300000000, 0.0040230800000000, -0.0040038700000000 ] - [ -0.0007722100000000, -0.0003921800000000, 0.0006557800000000 ] - [ -0.0006245500000000, 0.0000019000000000, 0.0004726200000000 ] - [ -0.0014561900000000, -0.0025894200000000, 0.0005457900000000 ] - [ -0.0004868500000000, -0.0004526900000000, 0.0011284900000000 ] - [ -0.0005758300000000, -0.0022406900000000, -0.0033256500000000 ] - [ 0.0021676300000000, 0.0009002100000000, -0.0041709300000000 ] - [ 0.0007485500000000, 0.0000389600000000, -0.0004989400000000 ] - [ -0.0024575300000000, -0.0000338300000000, -0.0056251900000000 ] - [ 0.0013840800000000, -0.0000998500000000, -0.0021292200000000 ] - [ -0.0000526100000000, -0.0004674800000000, -0.0002826300000000 ] - [ -0.0009764200000000, 0.0018676000000000, 0.0050240000000000 ] - [ 0.0013216400000000, 0.0003376500000000, -0.0004221600000000 ] - [ -0.0002810500000000, 0.0004608200000000, 0.0011959000000000 ] - [ 0.0074213900000000, -0.0074149600000000, 0.0004338300000000 ] - [ -0.0002533200000000, 0.0004205100000000, -0.0002465100000000 ] - [ -0.0014277200000000, 0.0012382100000000, -0.0014568600000000 ] - [ 0.0026231300000000, -0.0019653400000000, -0.0041899600000000 ] - [ -0.0004540800000000, 0.0013958600000000, -0.0001958100000000 ] - [ 0.0021999100000000, 0.0005602800000000, -0.0000939100000000 ] - [ -0.1182892000000000, 0.0142656700000000, 0.0275144400000000 ] - [ -0.0007037200000000, -0.0047041300000000, 0.0022832100000000 ] - [ 0.0016418600000000, -0.0010042200000000, -0.0006194600000000 ] - [ 0.0015494100000000, 0.0025984100000000, -0.0038261600000000 ] - [ -0.0005066800000000, 0.0002262800000000, -0.0007024900000000 ] - [ 0.0010605200000000, 0.0004728000000000, 0.0000995800000000 ] - [ -0.0020579800000000, 0.0007576700000000, 0.0025501300000000 ] - [ -0.0015803800000000, 0.0014210300000000, 0.0005591900000000 ] - [ 0.0010313100000000, -0.0001706100000000, -0.0022309200000000 ] - [ 0.0024145700000000, 0.0087463800000000, 0.0019340300000000 ] - [ 0.0008830900000000, -0.0006197500000000, 0.0011681600000000 ] - [ 0.0042224900000000, 0.0024950400000000, -0.0040868900000000 ] - [ -0.0022264100000000, 0.0009854000000000, -0.0004408300000000 ] - [ 0.0007228400000000, 0.0007873200000000, -0.0006190800000000 ] - [ -0.0004311200000000, 0.0002742300000000, -0.0003900400000000 ] - [ 0.0001346400000000, -0.0014134100000000, 0.0016777800000000 ] - [ 0.0005985200000000, -0.0011148500000000, 0.0003213600000000 ] - [ 0.0030630800000000, 0.0027288300000000, 0.0275329900000000 ] - [ 0.0014747300000000, -0.0004804700000000, -0.0016061200000000 ] - [ 0.0017311600000000, -0.0021125800000000, -0.0055788500000000 ] - [ -0.0001484000000000, 0.0001181900000000, -0.0003586900000000 ] - [ 0.0013400100000000, -0.0001206600000000, 0.0003289800000000 ] - [ -0.0051387200000000, -0.0005992200000000, 0.0036509600000000 ] - [ -0.0010513800000000, -0.0005327700000000, 0.0002296700000000 ] - [ 0.0009817800000000, -0.0010136700000000, -0.0016363900000000 ] - [ -0.0014193100000000, 0.0002108700000000, 0.0072570800000000 ] - [ 0.0013762800000000, 0.0001741500000000, 0.0005609400000000 ]- atom: 35 displacement: [ 0.0050436217710434, 0.0000000000000000, -0.0086349220859633 ] forces: - [ -0.0007328800000000, -0.0045292500000000, -0.0015656200000000 ] - [ 0.0003357500000000, -0.0000433300000000, -0.0003061100000000 ] - [ 0.0007838900000000, -0.0005847100000000, 0.0003060100000000 ] - [ 0.0004728900000000, 0.0029448800000000, 0.0003317700000000 ] - [ 0.0002247900000000, -0.0003989900000000, -0.0003874400000000 ] - [ 0.0003206400000000, 0.0001852900000000, -0.0008459300000000 ] - [ 0.0057676200000000, -0.0003090800000000, -0.0049104600000000 ] - [ -0.0004563100000000, 0.0001050000000000, 0.0008217100000000 ] - [ 0.0008294700000000, -0.0008633400000000, 0.0009608200000000 ] - [ 0.0017566000000000, 0.0005832500000000, -0.0021559500000000 ] - [ -0.0021130800000000, -0.0008383200000000, 0.0030404100000000 ] - [ 0.0000411800000000, -0.0007486700000000, 0.0004694200000000 ] - [ -0.0000753500000000, 0.0005249700000000, -0.0020733100000000 ] - [ -0.0012673000000000, 0.0008248000000000, 0.0001678500000000 ] - [ 0.0010351800000000, 0.0005286000000000, -0.0005203000000000 ] - [ -0.0007465000000000, 0.0019986100000000, -0.0013160300000000 ] - [ 0.0010912600000000, 0.0004426700000000, -0.0016579000000000 ] - [ -0.0000934400000000, 0.0001836100000000, -0.0006712400000000 ] - [ 0.0009389700000000, -0.0007865500000000, -0.0004086200000000 ] - [ -0.0017873400000000, -0.0000168400000000, 0.0000818900000000 ] - [ -0.0015806200000000, -0.0009673700000000, 0.0009523900000000 ] - [ -0.0000149100000000, -0.0002947100000000, -0.0000047200000000 ] - [ 0.0034525100000000, -0.0006486100000000, 0.0065422500000000 ] - [ 0.0029986200000000, 0.0000490800000000, -0.0006218000000000 ] - [ 0.0008572500000000, 0.0001120000000000, -0.0003257200000000 ] - [ 0.0152215600000000, 0.0107893600000000, 0.0048411400000000 ] - [ 0.0001846500000000, -0.0013988600000000, 0.0005992000000000 ] - [ 0.0002482600000000, -0.0002466800000000, 0.0003322900000000 ] - [ 0.0006516300000000, -0.0030768800000000, -0.0009723900000000 ] - [ -0.0001360000000000, 0.0001041200000000, 0.0007137700000000 ] - [ -0.0000114500000000, -0.0005390900000000, -0.0010728500000000 ] - [ 0.0002789400000000, 0.0005316200000000, -0.0014503800000000 ] - [ 0.0006579200000000, -0.0002831700000000, -0.0015077600000000 ] - [ -0.0021512100000000, 0.0003822400000000, -0.0009884100000000 ] - [ -0.1447702500000000, 0.0249243300000000, 0.0681740900000000 ] - [ 0.0007291900000000, -0.0004392200000000, -0.0001072500000000 ] - [ 0.0006258300000000, 0.0002824400000000, 0.0002457400000000 ] - [ -0.0004923200000000, -0.0001475600000000, 0.0002225900000000 ] - [ 0.0008140800000000, 0.0010472800000000, -0.0024351400000000 ] - [ -0.0014900100000000, 0.0000070500000000, -0.0008527100000000 ] - [ 0.0008959600000000, 0.0008050700000000, -0.0000193500000000 ] - [ -0.0084293100000000, 0.0033452800000000, 0.0028518400000000 ] - [ 0.0001430100000000, 0.0006817600000000, 0.0000749400000000 ] - [ -0.0000502600000000, 0.0003401500000000, 0.0001690400000000 ] - [ 0.0002396400000000, -0.0003834700000000, 0.0009765900000000 ] - [ 0.0004101000000000, -0.0007183000000000, 0.0009032700000000 ] - [ -0.0043583200000000, 0.0016580800000000, -0.0072381500000000 ] - [ 0.0001334200000000, -0.0004452400000000, -0.0022191700000000 ] - [ 0.0001673300000000, -0.0002052100000000, 0.0004053600000000 ] - [ 0.0208911100000000, -0.0124580500000000, -0.0023601500000000 ] - [ -0.0006537100000000, -0.0006862900000000, 0.0010405300000000 ] - [ 0.0004161800000000, -0.0003533100000000, -0.0001119000000000 ] - [ 0.0005164300000000, -0.0004469600000000, -0.0008802100000000 ] - [ -0.0000667800000000, 0.0003792700000000, 0.0000205200000000 ] - [ 0.0004059600000000, 0.0005658800000000, -0.0010840200000000 ] - [ 0.0002204500000000, 0.0010430400000000, -0.0030335700000000 ] - [ 0.0011874700000000, 0.0015235500000000, -0.0005655400000000 ] - [ -0.0002863200000000, 0.0004539600000000, 0.0005330400000000 ] - [ 0.0000598500000000, 0.0005608100000000, -0.0009702300000000 ] - [ -0.0003017500000000, -0.0004061700000000, -0.0023541500000000 ] - [ 0.0001824900000000, -0.0002562300000000, 0.0001345100000000 ] - [ 0.0005560300000000, -0.0025143200000000, 0.0014376400000000 ] - [ -0.0009864900000000, 0.0035956000000000, -0.0002723200000000 ] - [ 0.0006103200000000, -0.0002113300000000, -0.0002029000000000 ] - [ -0.0001046100000000, -0.0001110400000000, 0.0009975900000000 ] - [ 0.0017521800000000, -0.0026272700000000, -0.0024909000000000 ] - [ -0.0026927300000000, -0.0039318900000000, 0.0041630100000000 ] - [ 0.0006527500000000, -0.0000410000000000, -0.0001398000000000 ] - [ 0.0004581300000000, -0.0003839200000000, -0.0017596700000000 ] - [ -0.0002381600000000, 0.0001927200000000, -0.0002968300000000 ] - [ 0.0006668800000000, 0.0005283300000000, -0.0000410600000000 ] - [ -0.0049197200000000, -0.0051444700000000, -0.0053267100000000 ] - [ 0.0002100300000000, -0.0001125300000000, 0.0053837300000000 ] - [ 0.0027575100000000, -0.0007724700000000, 0.0008186700000000 ] - [ -0.0000239400000000, 0.0002673800000000, 0.0012113000000000 ] - [ 0.0010449500000000, -0.0001968100000000, -0.0004796000000000 ] - [ 0.0011297100000000, 0.0002376700000000, -0.0006081900000000 ] - [ 0.0000631000000000, -0.0001045600000000, -0.0000449100000000 ] - [ 0.0002110700000000, -0.0005700100000000, 0.0005523400000000 ] - [ 0.0003824900000000, -0.0005972800000000, 0.0000480500000000 ] - [ 0.0000937500000000, 0.0002742000000000, -0.0002401600000000 ] - [ 0.0003146900000000, -0.0001239300000000, -0.0006017100000000 ] - [ 0.0096441900000000, 0.0044841400000000, -0.0060402100000000 ] - [ -0.0002491900000000, 0.0001376000000000, 0.0004460500000000 ] - [ 0.0002736600000000, -0.0002131300000000, -0.0001645900000000 ] - [ -0.0004306800000000, -0.0004157100000000, 0.0002834000000000 ] - [ 0.0009745500000000, 0.0003666700000000, -0.0034594200000000 ] - [ 0.0000314600000000, 0.0000249200000000, -0.0000342700000000 ] - [ -0.0028452500000000, 0.0001346600000000, -0.0006512600000000 ] - [ -0.0062156200000000, -0.0057084400000000, 0.0049590200000000 ] - [ -0.0006976800000000, 0.0010133300000000, 0.0007585700000000 ] - [ -0.0008495700000000, 0.0006186400000000, 0.0009330100000000 ] - [ 0.0000015000000000, 0.0019973000000000, 0.0008566000000000 ] - [ -0.0009937200000000, -0.0001625000000000, 0.0002777800000000 ] - [ 0.0020312900000000, 0.0016198400000000, 0.0019142600000000 ] - [ -0.0006895000000000, -0.0015277100000000, 0.0027819500000000 ] - [ -0.0017536600000000, -0.0006348900000000, 0.0011166400000000 ] - [ 0.0014928200000000, -0.0005641600000000, 0.0062715100000000 ] - [ -0.0003949200000000, -0.0004994700000000, 0.0015122400000000 ] - [ 0.0010414600000000, -0.0001185300000000, -0.0003506600000000 ] - [ 0.0019774700000000, -0.0012719200000000, -0.0056393400000000 ] - [ -0.0003364100000000, 0.0002584800000000, -0.0001993200000000 ] - [ -0.0007009800000000, 0.0001369200000000, -0.0005767200000000 ] - [ -0.0084234000000000, 0.0080202900000000, 0.0002065400000000 ] - [ -0.0011773400000000, 0.0012251500000000, 0.0011463000000000 ] - [ 0.0000222000000000, 0.0004098900000000, 0.0023503800000000 ] - [ -0.0012179300000000, 0.0036380400000000, 0.0033160300000000 ] - [ 0.0018772000000000, 0.0002428300000000, -0.0007158700000000 ] - [ -0.0007392500000000, 0.0000524100000000, -0.0013230700000000 ] - [ 0.1172248700000000, -0.0132654300000000, -0.0301319700000000 ] - [ 0.0021314500000000, 0.0030562100000000, -0.0031453800000000 ] - [ -0.0002228800000000, -0.0006434700000000, -0.0002838300000000 ] - [ -0.0012706900000000, -0.0021189300000000, 0.0036860100000000 ] - [ 0.0007805500000000, 0.0002341300000000, 0.0005507900000000 ] - [ -0.0013420300000000, -0.0000122900000000, 0.0000428400000000 ] - [ 0.0017855700000000, -0.0002295100000000, -0.0024120000000000 ] - [ 0.0013027300000000, -0.0018797100000000, -0.0004197100000000 ] - [ -0.0013046900000000, -0.0002902500000000, 0.0023924700000000 ] - [ -0.0020977800000000, -0.0092254600000000, -0.0021230800000000 ] - [ -0.0006264200000000, 0.0001632000000000, -0.0013101400000000 ] - [ -0.0045698100000000, -0.0006159700000000, 0.0033895800000000 ] - [ 0.0018739900000000, 0.0008872200000000, -0.0003464600000000 ] - [ -0.0004103700000000, 0.0011132600000000, 0.0013364100000000 ] - [ 0.0007574200000000, 0.0016298300000000, 0.0011038400000000 ] - [ 0.0001863300000000, -0.0004737300000000, -0.0009693300000000 ] - [ -0.0002853100000000, -0.0007829800000000, 0.0004015100000000 ] - [ -0.0027600800000000, -0.0046536500000000, -0.0277053200000000 ] - [ -0.0017979200000000, -0.0014144700000000, 0.0008983700000000 ] - [ -0.0013036800000000, 0.0023604500000000, 0.0052274900000000 ] - [ 0.0005723900000000, 0.0001477300000000, -0.0000032300000000 ] - [ -0.0017786500000000, 0.0003907200000000, 0.0000200300000000 ] - [ 0.0047380400000000, 0.0008563800000000, -0.0033231300000000 ] - [ 0.0006229000000000, 0.0002688300000000, 0.0001226700000000 ] - [ -0.0014016400000000, 0.0007466700000000, 0.0019952900000000 ] - [ 0.0024544700000000, -0.0011081400000000, -0.0080774600000000 ] - [ -0.0009721100000000, -0.0004459500000000, -0.0009178400000000 ]- atom: 41 displacement: [ 0.0099999999206514, 0.0000000000000000, 0.0000012597509720 ] forces: - [ -0.0001191600000000, -0.0001207800000000, -0.0001032700000000 ] - [ -0.0006267300000000, 0.0008872600000000, 0.0014584400000000 ] - [ -0.0005782400000000, 0.0001378000000000, -0.0000601500000000 ] - [ 0.0008786600000000, -0.0001750800000000, -0.0001214800000000 ] - [ -0.0005851700000000, 0.0003103400000000, -0.0012550700000000 ] - [ 0.0005875500000000, -0.0003371100000000, 0.0003226600000000 ] - [ 0.0010548700000000, 0.0049111600000000, 0.0002611500000000 ] - [ 0.0010280400000000, -0.0002965300000000, -0.0008296500000000 ] - [ 0.0000617000000000, -0.0006522400000000, -0.0007516000000000 ] - [ 0.0013701900000000, -0.0007488600000000, 0.0005954500000000 ] - [ 0.0003579800000000, -0.0009554500000000, -0.0000561100000000 ] - [ 0.0004009900000000, 0.0020756900000000, 0.0027480100000000 ] - [ -0.0003818900000000, 0.0012496400000000, 0.0014844300000000 ] - [ -0.0006738100000000, 0.0005484000000000, -0.0001294600000000 ] - [ 0.0027798500000000, 0.0055927200000000, -0.0057972400000000 ] - [ 0.0020287900000000, 0.0002881900000000, 0.0002108500000000 ] - [ -0.0036286700000000, -0.0016136700000000, -0.0001833700000000 ] - [ 0.0014584600000000, 0.0003657900000000, -0.0000322700000000 ] - [ -0.0019979700000000, 0.0009112700000000, 0.0000488200000000 ] - [ 0.0000826100000000, -0.0000742300000000, 0.0002502900000000 ] - [ -0.0006468700000000, -0.0004094300000000, -0.0003693600000000 ] - [ 0.0005009100000000, 0.0003273000000000, 0.0012897500000000 ] - [ -0.0000311700000000, 0.0005618100000000, -0.0011570500000000 ] - [ 0.0029515400000000, -0.0013424600000000, 0.0005078300000000 ] - [ -0.0058637500000000, 0.0014179300000000, -0.0022176000000000 ] - [ 0.0009478300000000, 0.0001992200000000, -0.0006014500000000 ] - [ 0.0001711900000000, -0.0003445100000000, 0.0004170500000000 ] - [ -0.0006319300000000, 0.0005395500000000, 0.0012064200000000 ] - [ 0.0004238400000000, 0.0009720700000000, 0.0004488300000000 ] - [ 0.0002924600000000, -0.0002461900000000, 0.0001116400000000 ] - [ -0.0002719000000000, -0.0001312700000000, -0.0014561300000000 ] - [ 0.0013055000000000, -0.0005986400000000, -0.0001322200000000 ] - [ -0.0044567300000000, 0.0023588800000000, 0.0007590200000000 ] - [ 0.0002926900000000, 0.0000065400000000, 0.0003449000000000 ] - [ 0.0009747400000000, -0.0004821100000000, -0.0007660800000000 ] - [ 0.0180423700000000, -0.0150443100000000, 0.0201618400000000 ] - [ -0.0002980100000000, 0.0005917100000000, -0.0001455300000000 ] - [ 0.0011040300000000, 0.0002926700000000, 0.0004780000000000 ] - [ 0.0052936900000000, -0.0001178400000000, 0.0078226400000000 ] - [ -0.0002326800000000, 0.0004263100000000, -0.0006008000000000 ] - [ -0.0920975900000000, 0.0308960100000000, -0.0916978800000000 ] - [ 0.0006586200000000, 0.0005062000000000, -0.0001971200000000 ] - [ 0.0000002600000000, 0.0006353500000000, 0.0004244100000000 ] - [ 0.0001383600000000, 0.0004626400000000, 0.0008205300000000 ] - [ 0.0002556800000000, -0.0012828200000000, 0.0001612800000000 ] - [ 0.0005865400000000, 0.0001662800000000, 0.0005063700000000 ] - [ -0.0005191900000000, -0.0005808300000000, -0.0014758600000000 ] - [ 0.0022686200000000, -0.0002941800000000, 0.0026236800000000 ] - [ -0.0095030800000000, -0.0000995000000000, -0.0035265600000000 ] - [ 0.0008075100000000, -0.0005183800000000, 0.0002692700000000 ] - [ 0.0003914800000000, -0.0002860400000000, -0.0001418700000000 ] - [ -0.0004174200000000, -0.0005781100000000, 0.0002667700000000 ] - [ 0.0006483500000000, -0.0008479200000000, 0.0003443100000000 ] - [ 0.0004612700000000, 0.0004194100000000, -0.0004589400000000 ] - [ -0.0003195800000000, 0.0000848300000000, -0.0013354700000000 ] - [ 0.0012713300000000, 0.0010249400000000, 0.0007580500000000 ] - [ 0.0031736900000000, -0.0081951500000000, 0.0044820600000000 ] - [ 0.0012116900000000, 0.0006291700000000, -0.0001941400000000 ] - [ -0.0010303000000000, 0.0006141900000000, -0.0009074600000000 ] - [ 0.0002233600000000, 0.0005198800000000, 0.0002163000000000 ] - [ -0.0009020700000000, -0.0034911500000000, -0.0027265200000000 ] - [ 0.0008639500000000, -0.0000116900000000, -0.0001273000000000 ] - [ 0.0001480300000000, -0.0001115500000000, 0.0001193700000000 ] - [ 0.0001753200000000, -0.0012570500000000, 0.0013695200000000 ] - [ -0.0006671400000000, 0.0000099700000000, -0.0006017800000000 ] - [ 0.0007685900000000, -0.0003191000000000, 0.0015520700000000 ] - [ 0.0006023800000000, 0.0002390200000000, -0.0006392000000000 ] - [ -0.0005163700000000, -0.0016990000000000, 0.0000647000000000 ] - [ -0.0000393200000000, -0.0004725400000000, 0.0010609700000000 ] - [ 0.0000347000000000, 0.0002722900000000, -0.0005167000000000 ] - [ -0.0010269000000000, -0.0019141900000000, -0.0016788700000000 ] - [ 0.0009213600000000, 0.0005834000000000, 0.0005623200000000 ] - [ -0.0002606500000000, -0.0001617500000000, -0.0021184700000000 ] - [ 0.0016188200000000, 0.0008178900000000, 0.0009628000000000 ] - [ 0.0004563400000000, -0.0001223900000000, -0.0005008700000000 ] - [ 0.0009975800000000, -0.0002644900000000, 0.0002949400000000 ] - [ -0.0017145100000000, -0.0006714600000000, -0.0008692200000000 ] - [ 0.0011735600000000, 0.0002178100000000, -0.0001342200000000 ] - [ -0.0003462900000000, -0.0004846400000000, -0.0000631800000000 ] - [ 0.0007220800000000, -0.0005004400000000, 0.0007849700000000 ] - [ -0.0000229000000000, 0.0002240000000000, -0.0003147200000000 ] - [ 0.0002708300000000, 0.0000320500000000, 0.0000722100000000 ] - [ 0.0053048000000000, 0.0005735800000000, -0.0000843800000000 ] - [ 0.0014716800000000, 0.0002417500000000, -0.0005875700000000 ] - [ -0.0006031200000000, 0.0005750000000000, 0.0003394200000000 ] - [ 0.0004664800000000, -0.0001119200000000, -0.0002757900000000 ] - [ -0.0002662200000000, 0.0000093600000000, 0.0004623800000000 ] - [ -0.0006886600000000, -0.0001088000000000, 0.0007531800000000 ] - [ 0.0005027200000000, -0.0014563400000000, 0.0013485300000000 ] - [ -0.0027885800000000, -0.0001424800000000, -0.0001060600000000 ] - [ -0.0012048600000000, 0.0005316000000000, 0.0005828000000000 ] - [ 0.0002073800000000, -0.0000026100000000, 0.0003275900000000 ] - [ -0.0017903900000000, -0.0000663600000000, 0.0008426500000000 ] - [ -0.0006713000000000, -0.0006102100000000, 0.0012223500000000 ] - [ 0.0006835200000000, -0.0002227700000000, 0.0008179800000000 ] - [ -0.0041127600000000, -0.0015339900000000, -0.0026412800000000 ] - [ 0.0024894800000000, 0.0000087300000000, 0.0041425400000000 ] - [ -0.0020551900000000, -0.0009112500000000, -0.0003799000000000 ] - [ 0.0028364900000000, 0.0038222000000000, -0.0031949800000000 ] - [ -0.0004148500000000, -0.0005934700000000, 0.0001837300000000 ] - [ 0.0003097700000000, 0.0000363000000000, 0.0000501700000000 ] - [ 0.0004811000000000, 0.0014431200000000, -0.0012222300000000 ] - [ 0.0018616600000000, 0.0000467100000000, 0.0052837600000000 ] - [ -0.0026561900000000, -0.0002501700000000, -0.0010642900000000 ] - [ 0.0027552000000000, 0.0014849300000000, 0.0060274300000000 ] - [ -0.0022067200000000, 0.0011419300000000, -0.0003532200000000 ] - [ 0.0017052700000000, -0.0023389700000000, -0.0021341700000000 ] - [ -0.0000832600000000, 0.0013586200000000, 0.0003025900000000 ] - [ 0.0508044000000000, -0.0265473800000000, 0.0445343000000000 ] - [ -0.0009781800000000, 0.0002972000000000, -0.0008323700000000 ] - [ 0.0004419000000000, -0.0003795100000000, 0.0000299100000000 ] - [ 0.0001117100000000, -0.0019077400000000, -0.0034917600000000 ] - [ 0.0003941000000000, -0.0007838600000000, -0.0010548700000000 ] - [ 0.0004906200000000, 0.0005621500000000, -0.0006770600000000 ] - [ 0.0122550100000000, -0.0010724300000000, 0.0016767000000000 ] - [ -0.0018800700000000, 0.0003429000000000, 0.0000876800000000 ] - [ 0.0003730100000000, -0.0001989700000000, 0.0008229100000000 ] - [ -0.0011390400000000, -0.0002137500000000, -0.0014307700000000 ] - [ -0.0045452200000000, 0.0035304700000000, 0.0022147800000000 ] - [ -0.0045124400000000, -0.0029376000000000, -0.0002256100000000 ] - [ 0.0231764100000000, 0.0079221700000000, 0.0186612100000000 ] - [ -0.0018378000000000, 0.0008360500000000, 0.0003239100000000 ] - [ 0.0012906600000000, 0.0006420900000000, 0.0008253900000000 ] - [ -0.0006604100000000, 0.0010807000000000, -0.0000969700000000 ] - [ 0.0009537600000000, 0.0000910700000000, 0.0011388300000000 ] - [ -0.0008925200000000, -0.0011509600000000, -0.0001842200000000 ] - [ -0.0004697700000000, -0.0016185500000000, 0.0008813600000000 ] - [ -0.0039951900000000, -0.0005284200000000, -0.0083825700000000 ] - [ 0.0012388800000000, 0.0012281500000000, -0.0019387700000000 ] - [ 0.0010728700000000, -0.0000380500000000, -0.0004627300000000 ] - [ 0.0024175000000000, 0.0006898800000000, 0.0003995900000000 ] - [ -0.0015684400000000, 0.0000241000000000, 0.0002414700000000 ] - [ 0.0000409500000000, -0.0001704900000000, 0.0012837500000000 ] - [ -0.0013128100000000, 0.0002302700000000, -0.0014116700000000 ] - [ -0.0030513900000000, -0.0029597500000000, 0.0014282100000000 ] - [ -0.0045847500000000, 0.0046333200000000, 0.0033434700000000 ]- atom: 41 displacement: [ -0.0099999999206514, 0.0000000000000000, -0.0000012597509720 ] forces: - [ -0.0001940100000000, 0.0002049400000000, 0.0002210000000000 ] - [ 0.0002994100000000, -0.0008020300000000, -0.0013408700000000 ] - [ 0.0009071900000000, -0.0000385700000000, -0.0000559700000000 ] - [ -0.0005625100000000, 0.0002571200000000, 0.0000026000000000 ] - [ 0.0009032000000000, -0.0003904000000000, 0.0011317700000000 ] - [ -0.0002739100000000, 0.0002554000000000, -0.0004421500000000 ] - [ -0.0013746500000000, -0.0050292700000000, -0.0001372400000000 ] - [ -0.0013445200000000, 0.0002118300000000, 0.0009461400000000 ] - [ 0.0011540700000000, -0.0006301800000000, 0.0001386600000000 ] - [ -0.0001617100000000, -0.0005425700000000, -0.0011919500000000 ] - [ -0.0015671600000000, -0.0003333200000000, 0.0006556400000000 ] - [ -0.0016162700000000, -0.0033522600000000, -0.0021424100000000 ] - [ -0.0008262900000000, 0.0000365900000000, -0.0008923400000000 ] - [ -0.0005355000000000, 0.0007420200000000, 0.0007213100000000 ] - [ -0.0015563200000000, -0.0042518100000000, 0.0051656900000000 ] - [ -0.0008255200000000, 0.0010049900000000, -0.0008077700000000 ] - [ 0.0048252800000000, 0.0019004500000000, -0.0002526500000000 ] - [ -0.0002847100000000, -0.0000837100000000, -0.0004212300000000 ] - [ 0.0008257200000000, -0.0006342500000000, 0.0004037800000000 ] - [ -0.0012640900000000, 0.0003565700000000, 0.0001973800000000 ] - [ -0.0005262900000000, 0.0001281500000000, 0.0008186900000000 ] - [ -0.0016844900000000, -0.0006109200000000, -0.0008414900000000 ] - [ 0.0012303300000000, -0.0008479000000000, 0.0007136600000000 ] - [ -0.0017704800000000, 0.0010579600000000, -0.0009571700000000 ] - [ 0.0058947500000000, -0.0014377900000000, 0.0011854700000000 ] - [ -0.0009440000000000, -0.0002918500000000, -0.0003736800000000 ] - [ -0.0001738100000000, 0.0002535100000000, 0.0005572200000000 ] - [ 0.0006241100000000, -0.0006326100000000, -0.0002313900000000 ] - [ -0.0004301800000000, -0.0008864100000000, 0.0005282300000000 ] - [ -0.0002989500000000, 0.0003373700000000, 0.0008628500000000 ] - [ 0.0002797000000000, 0.0002224200000000, 0.0004782300000000 ] - [ -0.0013086800000000, 0.0006964600000000, -0.0008429300000000 ] - [ 0.0034034800000000, -0.0021871200000000, -0.0004369700000000 ] - [ -0.0013749400000000, 0.0001776600000000, -0.0000286900000000 ] - [ -0.0015042700000000, -0.0003663700000000, 0.0001517700000000 ] - [ -0.0183626200000000, 0.0140065800000000, -0.0205386200000000 ] - [ 0.0008219900000000, 0.0002578500000000, 0.0007685400000000 ] - [ -0.0005781300000000, 0.0005555200000000, 0.0001419500000000 ] - [ -0.0058593200000000, 0.0009748900000000, -0.0084865800000000 ] - [ -0.0002940100000000, 0.0004234400000000, -0.0000242700000000 ] - [ 0.0927465400000000, -0.0294328200000000, 0.0914766500000000 ] - [ -0.0009191500000000, 0.0004803300000000, -0.0007744700000000 ] - [ 0.0002599000000000, 0.0003501900000000, 0.0005465000000000 ] - [ 0.0001177200000000, 0.0005236800000000, 0.0001461600000000 ] - [ 0.0000066400000000, 0.0002994900000000, 0.0008150400000000 ] - [ -0.0003296100000000, -0.0011514000000000, 0.0004630100000000 ] - [ 0.0002640200000000, -0.0004059100000000, 0.0005036900000000 ] - [ -0.0025324300000000, -0.0006982700000000, -0.0035977800000000 ] - [ 0.0093474800000000, -0.0006217800000000, 0.0035364700000000 ] - [ -0.0010076300000000, -0.0001904500000000, -0.0001154700000000 ] - [ -0.0001902000000000, -0.0004235000000000, -0.0000117800000000 ] - [ 0.0006133100000000, -0.0001318800000000, -0.0004224800000000 ] - [ -0.0004506500000000, 0.0015641600000000, -0.0004987200000000 ] - [ -0.0002617600000000, 0.0002904400000000, 0.0003036100000000 ] - [ 0.0001227000000000, 0.0006232400000000, 0.0014876500000000 ] - [ -0.0014792600000000, -0.0003199900000000, -0.0006061100000000 ] - [ -0.0028367800000000, 0.0089358200000000, -0.0039542800000000 ] - [ -0.0008434400000000, 0.0000314500000000, 0.0007606900000000 ] - [ 0.0006669900000000, 0.0000413300000000, 0.0003382600000000 ] - [ -0.0005951200000000, 0.0001378100000000, -0.0007863400000000 ] - [ 0.0005528200000000, 0.0028427600000000, 0.0021765600000000 ] - [ -0.0012337900000000, -0.0006468000000000, -0.0004417200000000 ] - [ 0.0002237200000000, -0.0005492100000000, 0.0004484000000000 ] - [ 0.0001872100000000, 0.0005948700000000, -0.0008012000000000 ] - [ 0.0006230900000000, -0.0004967200000000, 0.0011000400000000 ] - [ -0.0008309000000000, -0.0001457600000000, -0.0010379300000000 ] - [ -0.0005404100000000, -0.0007087000000000, 0.0001274300000000 ] - [ 0.0005702800000000, 0.0012290300000000, -0.0005821300000000 ] - [ 0.0001032200000000, 0.0009438200000000, -0.0015808800000000 ] - [ 0.0000262300000000, 0.0001926500000000, -0.0000050200000000 ] - [ 0.0009567100000000, 0.0023778800000000, 0.0022035000000000 ] - [ -0.0009867300000000, -0.0001186700000000, -0.0000464500000000 ] - [ -0.0008036200000000, -0.0000218700000000, 0.0024615800000000 ] - [ -0.0026970400000000, -0.0010006900000000, -0.0006440600000000 ] - [ 0.0006266000000000, -0.0000633400000000, 0.0001811900000000 ] - [ 0.0000767300000000, 0.0000793800000000, -0.0006162500000000 ] - [ 0.0028058100000000, 0.0008576300000000, 0.0005618200000000 ] - [ -0.0000985000000000, -0.0000329200000000, -0.0001871500000000 ] - [ 0.0008734700000000, -0.0003642200000000, 0.0006811700000000 ] - [ -0.0001945000000000, -0.0003476000000000, -0.0001664300000000 ] - [ 0.0002050800000000, 0.0000414600000000, -0.0000550500000000 ] - [ -0.0000911900000000, 0.0002340000000000, -0.0004412300000000 ] - [ -0.0055676300000000, -0.0003149900000000, 0.0004458400000000 ] - [ -0.0016504500000000, 0.0000243800000000, 0.0009557700000000 ] - [ 0.0007891600000000, -0.0008589400000000, -0.0007164900000000 ] - [ -0.0002862000000000, -0.0001539700000000, -0.0000927700000000 ] - [ 0.0000879200000000, -0.0002761100000000, -0.0000954600000000 ] - [ 0.0004991800000000, -0.0001525200000000, -0.0003896700000000 ] - [ -0.0019894300000000, -0.0002207700000000, -0.0004201100000000 ] - [ 0.0013672700000000, -0.0015037700000000, 0.0010095600000000 ] - [ -0.0002689900000000, 0.0000854900000000, 0.0008254700000000 ] - [ -0.0016768300000000, 0.0006213700000000, 0.0010840000000000 ] - [ 0.0003194000000000, -0.0005501500000000, 0.0005596800000000 ] - [ -0.0007975400000000, -0.0000088400000000, 0.0001859300000000 ] - [ 0.0007836900000000, -0.0003959900000000, -0.0022189800000000 ] - [ 0.0056027400000000, 0.0009177600000000, 0.0012397000000000 ] - [ -0.0034868000000000, -0.0006001000000000, -0.0035330200000000 ] - [ 0.0010734800000000, 0.0003190200000000, 0.0010043400000000 ] - [ -0.0018605100000000, -0.0044354200000000, 0.0025778600000000 ] - [ 0.0014076100000000, -0.0000034000000000, -0.0008006400000000 ] - [ 0.0006750200000000, 0.0005621200000000, -0.0006752800000000 ] - [ 0.0005179000000000, -0.0008438500000000, 0.0006032600000000 ] - [ -0.0029475700000000, 0.0005995600000000, -0.0046802700000000 ] - [ 0.0016657100000000, 0.0008457800000000, 0.0016889000000000 ] - [ -0.0041746500000000, 0.0001671600000000, -0.0051246300000000 ] - [ 0.0007945900000000, 0.0005043600000000, 0.0012580900000000 ] - [ -0.0002903600000000, 0.0040059700000000, 0.0012356600000000 ] - [ 0.0015070700000000, 0.0002914000000000, -0.0012017500000000 ] - [ -0.0499858900000000, 0.0270110000000000, -0.0457271300000000 ] - [ 0.0024526100000000, 0.0003202700000000, -0.0005746000000000 ] - [ 0.0009724500000000, -0.0012719100000000, -0.0009346500000000 ] - [ 0.0013181700000000, 0.0002636800000000, 0.0025891200000000 ] - [ -0.0001251500000000, 0.0012527700000000, 0.0009127700000000 ] - [ -0.0002076100000000, -0.0001020700000000, 0.0005399100000000 ] - [ -0.0125626300000000, 0.0014899300000000, -0.0015474000000000 ] - [ 0.0016085100000000, 0.0001186300000000, 0.0000597300000000 ] - [ -0.0006558900000000, -0.0002650800000000, -0.0006696600000000 ] - [ 0.0008684100000000, -0.0002447600000000, 0.0015815300000000 ] - [ 0.0048378000000000, -0.0040289500000000, -0.0023859200000000 ] - [ 0.0047779100000000, 0.0024614100000000, 0.0000764400000000 ] - [ -0.0238111500000000, -0.0062907300000000, -0.0202786600000000 ] - [ 0.0015201400000000, 0.0010598300000000, -0.0010337500000000 ] - [ -0.0009740700000000, 0.0012554300000000, -0.0001135400000000 ] - [ 0.0009829200000000, 0.0008153000000000, 0.0008145000000000 ] - [ -0.0006465800000000, -0.0019885000000000, -0.0004223800000000 ] - [ 0.0012137100000000, -0.0007450800000000, 0.0009001300000000 ] - [ 0.0001415100000000, -0.0002745400000000, -0.0015991800000000 ] - [ 0.0036871400000000, -0.0013700300000000, 0.0076601000000000 ] - [ -0.0008259400000000, -0.0009689300000000, 0.0015937600000000 ] - [ -0.0006353600000000, 0.0003125700000000, 0.0001400800000000 ] - [ -0.0028318200000000, -0.0004343400000000, -0.0000636000000000 ] - [ 0.0011465100000000, 0.0002437500000000, 0.0001114200000000 ] - [ -0.0004724400000000, -0.0000899600000000, -0.0009234400000000 ] - [ 0.0008927400000000, -0.0004993100000000, 0.0017687300000000 ] - [ 0.0034875900000000, 0.0027187300000000, -0.0018008000000000 ] - [ 0.0050071500000000, -0.0048860200000000, -0.0036892200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002412000000000, -0.0005946500000000, -0.0000769100000000 ] - [ 0.0000696400000000, -0.0018141200000000, 0.0008336400000000 ] - [ 0.0021887100000000, 0.0057745000000000, 0.0001228000000000 ] - [ -0.0000203600000000, 0.0006515000000000, 0.0000394700000000 ] - [ 0.0005438200000000, 0.0007673500000000, -0.0016945800000000 ] - [ -0.0000319900000000, -0.0000805900000000, -0.0000715400000000 ] - [ 0.0023784000000000, 0.0025847900000000, 0.0018654400000000 ] - [ -0.0008454100000000, -0.0000602800000000, 0.0005304000000000 ] - [ 0.0019055700000000, 0.0008589400000000, -0.0040089600000000 ] - [ 0.0004579600000000, -0.0004221000000000, -0.0001987900000000 ] - [ -0.0012068500000000, -0.0006363700000000, 0.0005132500000000 ] - [ 0.0048362200000000, -0.0001281500000000, 0.0059608700000000 ] - [ -0.0004417500000000, 0.0013747100000000, 0.0009863600000000 ] - [ -0.0006391500000000, 0.0009036700000000, -0.0000703600000000 ] - [ 0.0082673200000000, 0.0020687200000000, -0.0065341100000000 ] - [ -0.0001393100000000, 0.0004249000000000, -0.0007567000000000 ] - [ -0.0007744200000000, -0.0019734700000000, -0.0038273900000000 ] - [ 0.0005055000000000, -0.0002350000000000, -0.0003033300000000 ] - [ -0.0008928500000000, 0.0022466300000000, 0.0009275000000000 ] - [ -0.0007886700000000, 0.0005315400000000, 0.0002205600000000 ] - [ -0.0012030900000000, 0.0000252600000000, 0.0006482400000000 ] - [ 0.0004718900000000, 0.0002758700000000, 0.0011770300000000 ] - [ 0.0038182800000000, -0.0003515100000000, -0.0012029700000000 ] - [ -0.0006403300000000, 0.0003089600000000, -0.0006423600000000 ] - [ 0.0055831500000000, 0.0195666100000000, -0.0187039500000000 ] - [ -0.0002457700000000, -0.0002235200000000, -0.0003725200000000 ] - [ -0.0002107700000000, 0.0002114700000000, 0.0003850300000000 ] - [ -0.0001476700000000, 0.0005401300000000, 0.0014567800000000 ] - [ 0.0006959300000000, 0.0021516900000000, 0.0003745900000000 ] - [ 0.0001183500000000, 0.0013475600000000, 0.0005126700000000 ] - [ 0.0009824400000000, -0.0016686700000000, -0.0017146100000000 ] - [ 0.0003667900000000, -0.0009995700000000, -0.0007970800000000 ] - [ -0.0006430300000000, 0.0009078400000000, 0.0028773100000000 ] - [ -0.0004363500000000, -0.0001464900000000, -0.0000363700000000 ] - [ 0.0000855900000000, -0.0009697400000000, -0.0004667000000000 ] - [ -0.0120339700000000, -0.0012295500000000, -0.0105346200000000 ] - [ 0.0006196900000000, 0.0025209600000000, 0.0003800400000000 ] - [ -0.0002146400000000, 0.0010941700000000, 0.0002917000000000 ] - [ 0.0018371700000000, -0.0001048300000000, 0.0034291700000000 ] - [ -0.0002043200000000, -0.0002307000000000, -0.0002224400000000 ] - [ 0.0292999500000000, -0.1450578400000000, 0.1039415300000000 ] - [ -0.0001163200000000, 0.0000119600000000, -0.0004221100000000 ] - [ -0.0000144500000000, 0.0014563200000000, 0.0001462800000000 ] - [ 0.0001609900000000, 0.0013056500000000, 0.0004960900000000 ] - [ -0.0006668000000000, 0.0007559200000000, 0.0004503100000000 ] - [ 0.0007931300000000, 0.0004917100000000, 0.0006123300000000 ] - [ -0.0000410800000000, -0.0013074600000000, -0.0005026100000000 ] - [ -0.0003312300000000, -0.0002583500000000, -0.0011900000000000 ] - [ 0.0002058200000000, -0.0103287900000000, 0.0016464600000000 ] - [ 0.0000004600000000, -0.0007902200000000, -0.0000497200000000 ] - [ 0.0003390900000000, 0.0001496700000000, -0.0003064200000000 ] - [ 0.0006155400000000, 0.0011021800000000, -0.0003232900000000 ] - [ -0.0016590900000000, 0.0024042300000000, -0.0001608300000000 ] - [ 0.0005750400000000, 0.0009250800000000, -0.0001319700000000 ] - [ -0.0012297700000000, -0.0009352600000000, 0.0012457500000000 ] - [ 0.0003529900000000, 0.0001745000000000, 0.0000537500000000 ] - [ -0.0075002800000000, 0.0034125000000000, -0.0057659900000000 ] - [ 0.0009673000000000, 0.0000666700000000, 0.0000500900000000 ] - [ -0.0002676700000000, 0.0015406900000000, 0.0005893300000000 ] - [ -0.0001279600000000, 0.0006903700000000, -0.0004599200000000 ] - [ -0.0057068600000000, 0.0024743900000000, 0.0070438800000000 ] - [ 0.0000120800000000, -0.0005830700000000, -0.0000125200000000 ] - [ 0.0003180900000000, -0.0001122500000000, 0.0003656000000000 ] - [ -0.0001380900000000, 0.0004571700000000, -0.0003383500000000 ] - [ 0.0006391900000000, -0.0012931100000000, 0.0009697500000000 ] - [ -0.0002601600000000, -0.0007171200000000, -0.0000204800000000 ] - [ 0.0004598900000000, 0.0003789800000000, -0.0003411400000000 ] - [ -0.0007233000000000, 0.0013419400000000, -0.0007525200000000 ] - [ -0.0006980000000000, -0.0001727000000000, -0.0025850200000000 ] - [ 0.0003652600000000, 0.0000996500000000, -0.0002571000000000 ] - [ -0.0024001400000000, 0.0037302400000000, 0.0022030000000000 ] - [ 0.0003696900000000, 0.0004799100000000, 0.0003135200000000 ] - [ -0.0013983000000000, -0.0024883100000000, 0.0010269800000000 ] - [ -0.0010441300000000, -0.0016577800000000, 0.0007301000000000 ] - [ 0.0004890900000000, 0.0009865100000000, 0.0001081800000000 ] - [ 0.0001210600000000, 0.0007314000000000, -0.0002187700000000 ] - [ -0.0012890400000000, 0.0036469100000000, -0.0059682100000000 ] - [ 0.0007754800000000, 0.0003493600000000, -0.0002146500000000 ] - [ 0.0005668100000000, 0.0004519000000000, 0.0007114300000000 ] - [ 0.0003034700000000, -0.0000359600000000, 0.0001560700000000 ] - [ 0.0002698200000000, 0.0009402500000000, -0.0003863200000000 ] - [ 0.0000099000000000, 0.0007097900000000, -0.0003239000000000 ] - [ 0.0008914600000000, -0.0020535500000000, -0.0000711000000000 ] - [ -0.0004559300000000, -0.0012996700000000, 0.0005709600000000 ] - [ -0.0020174900000000, 0.0085477800000000, 0.0033152100000000 ] - [ 0.0001061900000000, 0.0001743400000000, -0.0001720900000000 ] - [ -0.0001723700000000, -0.0007265900000000, 0.0004162000000000 ] - [ 0.0001419700000000, -0.0007156100000000, -0.0002665100000000 ] - [ -0.0120135600000000, -0.0075565400000000, 0.0069286000000000 ] - [ 0.0002337400000000, -0.0014309500000000, 0.0002155200000000 ] - [ -0.0007653900000000, -0.0005827900000000, 0.0010749200000000 ] - [ -0.0011336700000000, -0.0015947400000000, 0.0004487600000000 ] - [ 0.0001390800000000, -0.0030474400000000, 0.0003496100000000 ] - [ -0.0017024800000000, -0.0024663400000000, 0.0007226300000000 ] - [ 0.0007032400000000, 0.0023497800000000, -0.0011988800000000 ] - [ -0.0008441000000000, 0.0010017900000000, -0.0001777400000000 ] - [ 0.0014376200000000, -0.0009886900000000, -0.0043755700000000 ] - [ -0.0008198300000000, -0.0004788100000000, 0.0003125300000000 ] - [ 0.0030596100000000, -0.0025002200000000, 0.0037616400000000 ] - [ -0.0002056500000000, -0.0004697900000000, -0.0001895900000000 ] - [ 0.0000957700000000, -0.0006641100000000, -0.0000819200000000 ] - [ 0.0009015300000000, -0.0018255400000000, 0.0007567900000000 ] - [ -0.0005218400000000, 0.0066893700000000, -0.0052370700000000 ] - [ -0.0004153200000000, 0.0010946500000000, 0.0003917300000000 ] - [ -0.0009443400000000, 0.0020910900000000, 0.0070364700000000 ] - [ -0.0005730000000000, 0.0014665800000000, 0.0011220400000000 ] - [ 0.0005065800000000, -0.0028756800000000, -0.0016451100000000 ] - [ 0.0009386300000000, 0.0001180700000000, -0.0003199200000000 ] - [ -0.0277349700000000, 0.0952658000000000, -0.0868063100000000 ] - [ 0.0005597500000000, 0.0010138000000000, -0.0007363900000000 ] - [ 0.0012707100000000, -0.0004517700000000, -0.0006001000000000 ] - [ -0.0004178600000000, -0.0001758300000000, -0.0056174100000000 ] - [ 0.0000902600000000, -0.0006911500000000, -0.0012269900000000 ] - [ 0.0006696100000000, -0.0001338100000000, 0.0014132700000000 ] - [ 0.0029844100000000, 0.0129767400000000, -0.0008179100000000 ] - [ 0.0000682200000000, 0.0003202200000000, 0.0000418200000000 ] - [ -0.0009868400000000, -0.0012851200000000, 0.0006939700000000 ] - [ -0.0001148100000000, -0.0012611200000000, 0.0002059800000000 ] - [ 0.0047931300000000, 0.0014402000000000, -0.0009698000000000 ] - [ -0.0045816500000000, 0.0022321600000000, -0.0015650600000000 ] - [ 0.0057454900000000, 0.0142304300000000, 0.0058108700000000 ] - [ -0.0001004500000000, 0.0021235800000000, -0.0003833700000000 ] - [ -0.0007702600000000, -0.0030659400000000, 0.0017801500000000 ] - [ 0.0003649900000000, 0.0000167900000000, 0.0005663600000000 ] - [ 0.0017183400000000, -0.0059220600000000, -0.0013721200000000 ] - [ -0.0001939000000000, -0.0022019200000000, 0.0001608500000000 ] - [ -0.0006205000000000, 0.0010462500000000, -0.0000166500000000 ] - [ 0.0019900900000000, 0.0005608500000000, 0.0031627600000000 ] - [ 0.0012784300000000, 0.0020490100000000, 0.0008595500000000 ] - [ -0.0002707300000000, 0.0014353900000000, -0.0000097400000000 ] - [ -0.0002001800000000, -0.0092121500000000, -0.0010165200000000 ] - [ -0.0002298300000000, -0.0006291000000000, 0.0001217200000000 ] - [ -0.0008613300000000, -0.0006204900000000, 0.0003377200000000 ] - [ 0.0004542700000000, -0.0002318600000000, 0.0006443000000000 ] - [ -0.0027925000000000, -0.0003568700000000, -0.0001522500000000 ] - [ 0.0051896900000000, -0.0015244600000000, -0.0016220000000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000730400000000, 0.0006721800000000, 0.0001935600000000 ] - [ -0.0003945500000000, 0.0018741600000000, -0.0007092900000000 ] - [ -0.0018830100000000, -0.0056811200000000, -0.0002374600000000 ] - [ 0.0003362600000000, -0.0005627300000000, -0.0001568800000000 ] - [ -0.0002231200000000, -0.0008546100000000, 0.0015597600000000 ] - [ 0.0003465300000000, -0.0000076500000000, -0.0000469600000000 ] - [ -0.0027038700000000, -0.0026485100000000, -0.0017556000000000 ] - [ 0.0005253600000000, -0.0000192600000000, -0.0004082100000000 ] - [ -0.0006991200000000, -0.0021457000000000, 0.0034310600000000 ] - [ 0.0007486000000000, -0.0008649200000000, -0.0003976500000000 ] - [ -0.0000023900000000, -0.0006574400000000, 0.0000834100000000 ] - [ -0.0059859600000000, -0.0011773500000000, -0.0052971300000000 ] - [ -0.0007688500000000, -0.0000780100000000, -0.0003950200000000 ] - [ -0.0005669500000000, 0.0003895500000000, 0.0006663300000000 ] - [ -0.0069549200000000, -0.0007997000000000, 0.0058618800000000 ] - [ 0.0013454000000000, 0.0008605900000000, 0.0001581800000000 ] - [ 0.0019397900000000, 0.0022161800000000, 0.0033698100000000 ] - [ 0.0006722400000000, 0.0005145400000000, -0.0001507400000000 ] - [ -0.0002942600000000, -0.0019483100000000, -0.0004845000000000 ] - [ -0.0003898100000000, -0.0002461800000000, 0.0002278100000000 ] - [ 0.0000169700000000, -0.0003154400000000, -0.0001936800000000 ] - [ -0.0016446500000000, -0.0005595600000000, -0.0007185300000000 ] - [ -0.0026463500000000, 0.0000806600000000, 0.0007544700000000 ] - [ 0.0018077700000000, -0.0005837400000000, 0.0001934300000000 ] - [ -0.0056011200000000, -0.0198744400000000, 0.0179706500000000 ] - [ 0.0002487000000000, 0.0001329400000000, -0.0006012500000000 ] - [ 0.0002066600000000, -0.0003063500000000, 0.0005872700000000 ] - [ 0.0001434100000000, -0.0006385100000000, -0.0004731000000000 ] - [ -0.0007005900000000, -0.0020496800000000, 0.0005988600000000 ] - [ -0.0001145100000000, -0.0012447200000000, 0.0004612600000000 ] - [ -0.0009718000000000, 0.0017466500000000, 0.0007275000000000 ] - [ -0.0003565500000000, 0.0010810700000000, -0.0001809800000000 ] - [ -0.0004479100000000, -0.0006992400000000, -0.0025478500000000 ] - [ -0.0006398900000000, 0.0003323200000000, 0.0003544400000000 ] - [ -0.0006085200000000, 0.0001219900000000, -0.0001546100000000 ] - [ 0.0114626100000000, 0.0005053300000000, 0.0098862500000000 ] - [ -0.0000766500000000, -0.0016598200000000, 0.0002328700000000 ] - [ 0.0007354000000000, -0.0002425200000000, 0.0003276600000000 ] - [ -0.0023311700000000, 0.0009347600000000, -0.0039875500000000 ] - [ -0.0003190700000000, 0.0010779200000000, -0.0004019800000000 ] - [ -0.0310169200000000, 0.1450901400000000, -0.1085705900000000 ] - [ -0.0001422800000000, 0.0009714500000000, -0.0005489500000000 ] - [ 0.0002706200000000, -0.0004635000000000, 0.0008169500000000 ] - [ 0.0000998900000000, -0.0003149000000000, 0.0004785900000000 ] - [ 0.0009156400000000, -0.0017437200000000, 0.0005190100000000 ] - [ -0.0005245500000000, -0.0014757100000000, 0.0003624300000000 ] - [ -0.0002161900000000, 0.0003224500000000, -0.0004697700000000 ] - [ 0.0000724500000000, -0.0007206800000000, 0.0002146300000000 ] - [ -0.0003481800000000, 0.0095818400000000, -0.0017805600000000 ] - [ -0.0001998000000000, 0.0000787300000000, 0.0002039100000000 ] - [ -0.0001387900000000, -0.0008572500000000, 0.0001502500000000 ] - [ -0.0004077800000000, -0.0018049100000000, 0.0001765800000000 ] - [ 0.0018425300000000, -0.0016865900000000, 0.0000057200000000 ] - [ -0.0003651300000000, -0.0002171000000000, -0.0000261600000000 ] - [ 0.0010260200000000, 0.0016469600000000, -0.0010874400000000 ] - [ -0.0005466500000000, 0.0005388700000000, 0.0000976200000000 ] - [ 0.0077666600000000, -0.0027616500000000, 0.0062847400000000 ] - [ -0.0005899900000000, 0.0005886900000000, 0.0005156600000000 ] - [ -0.0001030500000000, -0.0008675300000000, -0.0011580200000000 ] - [ -0.0002397400000000, -0.0000260200000000, -0.0001089400000000 ] - [ 0.0052641900000000, -0.0031333600000000, -0.0075051400000000 ] - [ -0.0003792000000000, -0.0000815300000000, -0.0005525500000000 ] - [ 0.0000490300000000, -0.0005426400000000, 0.0002032300000000 ] - [ 0.0005086100000000, -0.0011041500000000, 0.0009060400000000 ] - [ -0.0006755600000000, 0.0007829300000000, -0.0004732700000000 ] - [ 0.0001980900000000, 0.0002435600000000, 0.0005370800000000 ] - [ -0.0003981100000000, -0.0008411900000000, -0.0001775500000000 ] - [ 0.0007956000000000, -0.0017939600000000, 0.0002400200000000 ] - [ 0.0007524800000000, 0.0006262200000000, 0.0020465500000000 ] - [ -0.0002990600000000, 0.0003594300000000, -0.0002657400000000 ] - [ 0.0023564500000000, -0.0032585300000000, -0.0016949900000000 ] - [ -0.0004298700000000, -0.0000094400000000, 0.0002010300000000 ] - [ 0.0003465500000000, 0.0022784600000000, -0.0007059700000000 ] - [ -0.0000383700000000, 0.0014594900000000, -0.0004039400000000 ] - [ 0.0005829000000000, -0.0011637100000000, -0.0004236300000000 ] - [ 0.0009573800000000, -0.0009101900000000, -0.0000982900000000 ] - [ 0.0023274700000000, -0.0034315200000000, 0.0055587200000000 ] - [ 0.0003038800000000, -0.0001659500000000, -0.0001059800000000 ] - [ -0.0000379800000000, -0.0013011100000000, -0.0000826800000000 ] - [ 0.0002230300000000, -0.0008120700000000, 0.0004626500000000 ] - [ -0.0000853200000000, -0.0006730400000000, 0.0000146300000000 ] - [ 0.0001701400000000, -0.0004407400000000, -0.0000459500000000 ] - [ -0.0010362400000000, 0.0023171900000000, 0.0004393600000000 ] - [ 0.0002697400000000, 0.0015565400000000, -0.0001989300000000 ] - [ 0.0021585800000000, -0.0086942200000000, -0.0036210500000000 ] - [ 0.0000752100000000, -0.0004401900000000, -0.0001967800000000 ] - [ -0.0000098400000000, 0.0004596000000000, -0.0000456900000000 ] - [ -0.0003277000000000, 0.0004579100000000, 0.0006237100000000 ] - [ 0.0106120200000000, 0.0058836400000000, -0.0060369500000000 ] - [ -0.0016476400000000, -0.0002255100000000, 0.0006857000000000 ] - [ -0.0007053100000000, 0.0011999200000000, 0.0003385300000000 ] - [ -0.0003425000000000, 0.0022109200000000, 0.0009468100000000 ] - [ -0.0015980200000000, 0.0024167700000000, 0.0010567300000000 ] - [ 0.0002061600000000, 0.0018385300000000, 0.0006853700000000 ] - [ 0.0007637300000000, -0.0029552600000000, -0.0002095700000000 ] - [ 0.0022882800000000, -0.0016178500000000, -0.0012246500000000 ] - [ -0.0024199500000000, 0.0003646000000000, 0.0050006500000000 ] - [ -0.0001748600000000, -0.0001256900000000, 0.0003110200000000 ] - [ -0.0020211300000000, 0.0019193600000000, -0.0043541300000000 ] - [ 0.0011875900000000, -0.0001232400000000, -0.0004261100000000 ] - [ 0.0008995400000000, 0.0012542200000000, -0.0005379100000000 ] - [ 0.0000806900000000, 0.0024055100000000, -0.0013834100000000 ] - [ -0.0005807100000000, -0.0059225200000000, 0.0058408800000000 ] - [ -0.0005739300000000, -0.0004903300000000, 0.0002277400000000 ] - [ -0.0004593300000000, -0.0004067200000000, -0.0060802600000000 ] - [ -0.0008469900000000, 0.0001913800000000, -0.0002149400000000 ] - [ 0.0009232400000000, 0.0045027500000000, 0.0007472200000000 ] - [ 0.0004787800000000, 0.0015206900000000, -0.0005816600000000 ] - [ 0.0304996600000000, -0.0957076400000000, 0.0891780700000000 ] - [ 0.0009094300000000, -0.0003946800000000, -0.0006718700000000 ] - [ 0.0001516300000000, -0.0011856500000000, -0.0003002600000000 ] - [ 0.0018360700000000, -0.0014529700000000, 0.0046671200000000 ] - [ 0.0001870700000000, 0.0011388400000000, 0.0010761100000000 ] - [ -0.0004007700000000, 0.0005810000000000, -0.0015573500000000 ] - [ -0.0030297600000000, -0.0107489400000000, 0.0009163700000000 ] - [ -0.0003445500000000, 0.0001467900000000, 0.0001050600000000 ] - [ 0.0007111400000000, 0.0008112800000000, -0.0005486900000000 ] - [ -0.0001583900000000, 0.0007859700000000, -0.0000577500000000 ] - [ -0.0045092800000000, -0.0018586000000000, 0.0008149900000000 ] - [ 0.0048268300000000, -0.0026607100000000, 0.0014049700000000 ] - [ -0.0060746600000000, -0.0121361200000000, -0.0066155300000000 ] - [ -0.0002182900000000, -0.0002226700000000, -0.0003293400000000 ] - [ 0.0010750200000000, 0.0049336800000000, -0.0010351600000000 ] - [ -0.0000447700000000, 0.0018763200000000, 0.0001503500000000 ] - [ -0.0013664200000000, 0.0040109700000000, 0.0020586900000000 ] - [ 0.0005071800000000, 0.0003000500000000, 0.0005508200000000 ] - [ 0.0002930300000000, -0.0029503600000000, -0.0006927200000000 ] - [ -0.0022751000000000, -0.0024553200000000, -0.0038399900000000 ] - [ -0.0008478700000000, -0.0017630200000000, -0.0012145100000000 ] - [ 0.0007058100000000, -0.0011448100000000, -0.0003001600000000 ] - [ -0.0002442000000000, 0.0094372300000000, 0.0013776300000000 ] - [ -0.0001922300000000, 0.0008890400000000, 0.0002313500000000 ] - [ 0.0004251000000000, 0.0003683900000000, 0.0000236800000000 ] - [ -0.0008714600000000, -0.0000288500000000, -0.0002870900000000 ] - [ 0.0032111100000000, 0.0000675600000000, -0.0001959700000000 ] - [ -0.0047449600000000, 0.0012234400000000, 0.0012420700000000 ]- atom: 41 displacement: [ -0.0050436217710434, 0.0000000000000000, 0.0086349220859633 ] forces: - [ -0.0015806900000000, 0.0000884600000000, 0.0014901500000000 ] - [ 0.0016703500000000, 0.0007776000000000, 0.0003318300000000 ] - [ -0.0005963600000000, -0.0023101500000000, -0.0008108100000000 ] - [ 0.0002112200000000, 0.0000161000000000, 0.0000325900000000 ] - [ -0.0011191300000000, -0.0016961300000000, 0.0016327000000000 ] - [ 0.0006243500000000, -0.0001081000000000, -0.0000430300000000 ] - [ 0.0015249300000000, 0.0029365300000000, -0.0021687500000000 ] - [ -0.0003087800000000, 0.0000330900000000, 0.0000931700000000 ] - [ -0.0002271800000000, -0.0018187100000000, 0.0017393300000000 ] - [ 0.0010642100000000, -0.0005716800000000, 0.0003239900000000 ] - [ -0.0011969800000000, -0.0005434200000000, 0.0003188100000000 ] - [ 0.0005012100000000, 0.0001672600000000, -0.0016912100000000 ] - [ -0.0000594400000000, 0.0011325200000000, 0.0005404900000000 ] - [ -0.0009282900000000, 0.0005941400000000, 0.0009330700000000 ] - [ -0.0044793400000000, -0.0049389400000000, 0.0015277600000000 ] - [ 0.0006675500000000, 0.0006664800000000, -0.0006896300000000 ] - [ -0.0003413300000000, -0.0034588900000000, 0.0073823700000000 ] - [ 0.0012934400000000, 0.0002191200000000, 0.0006122800000000 ] - [ -0.0006523800000000, 0.0005569200000000, -0.0003566100000000 ] - [ -0.0006469700000000, 0.0001399000000000, 0.0003575000000000 ] - [ -0.0018208000000000, 0.0001019200000000, 0.0007798300000000 ] - [ 0.0002872800000000, 0.0002113500000000, 0.0002999100000000 ] - [ -0.0016768400000000, -0.0008484800000000, -0.0002055500000000 ] - [ 0.0011379800000000, -0.0003692700000000, -0.0002990500000000 ] - [ 0.0003199400000000, -0.0128287300000000, 0.0035553300000000 ] - [ -0.0001089500000000, -0.0000967500000000, -0.0003630300000000 ] - [ -0.0004958400000000, -0.0001106800000000, 0.0010737800000000 ] - [ 0.0004156500000000, 0.0005536800000000, 0.0005002300000000 ] - [ 0.0005450000000000, 0.0006729900000000, -0.0000550600000000 ] - [ -0.0003083800000000, -0.0001170300000000, 0.0005221600000000 ] - [ -0.0020733100000000, 0.0005365900000000, 0.0012426600000000 ] - [ 0.0013471700000000, -0.0006560500000000, -0.0006251400000000 ] - [ -0.0017103200000000, 0.0039468400000000, 0.0033468300000000 ] - [ -0.0002127800000000, 0.0001390700000000, 0.0006574600000000 ] - [ -0.0008837100000000, -0.0005457400000000, -0.0005383300000000 ] - [ 0.0044475800000000, -0.0015866600000000, -0.0057738500000000 ] - [ 0.0001707400000000, 0.0000046700000000, -0.0001646900000000 ] - [ 0.0004532100000000, 0.0004658700000000, 0.0001658800000000 ] - [ 0.0038186000000000, -0.0000358000000000, 0.0063591800000000 ] - [ -0.0014225800000000, 0.0001389900000000, 0.0008982800000000 ] - [ -0.0335426800000000, 0.0785423400000000, -0.2053682000000000 ] - [ -0.0002786800000000, 0.0005413500000000, -0.0003836900000000 ] - [ 0.0001418400000000, 0.0007099800000000, 0.0009613400000000 ] - [ 0.0004159000000000, 0.0005012500000000, 0.0009325300000000 ] - [ -0.0002148500000000, -0.0001235600000000, -0.0006202900000000 ] - [ -0.0000836700000000, -0.0007179700000000, 0.0001318800000000 ] - [ -0.0007872200000000, -0.0004365900000000, 0.0009879600000000 ] - [ 0.0013422500000000, 0.0000126300000000, 0.0006045400000000 ] - [ -0.0028916100000000, 0.0022519900000000, 0.0388902800000000 ] - [ -0.0002219700000000, -0.0001960500000000, 0.0005307300000000 ] - [ -0.0002522200000000, -0.0005139300000000, 0.0002196500000000 ] - [ 0.0004631600000000, -0.0003128600000000, -0.0001832900000000 ] - [ 0.0008965800000000, -0.0003473800000000, -0.0004286800000000 ] - [ -0.0005799700000000, 0.0003027600000000, 0.0002694900000000 ] - [ -0.0018162900000000, 0.0006159700000000, 0.0012470100000000 ] - [ 0.0009759400000000, 0.0008392500000000, -0.0002468800000000 ] - [ 0.0036170900000000, -0.0026669600000000, -0.0015726800000000 ] - [ -0.0003665900000000, 0.0003132900000000, 0.0005404100000000 ] - [ -0.0012322800000000, 0.0013873400000000, 0.0006877500000000 ] - [ 0.0002603100000000, 0.0004181900000000, -0.0001238000000000 ] - [ -0.0023805600000000, 0.0062709300000000, -0.0010342400000000 ] - [ -0.0002773200000000, -0.0003385700000000, -0.0002010500000000 ] - [ -0.0006567900000000, -0.0003740100000000, 0.0010038000000000 ] - [ 0.0008967200000000, -0.0006845300000000, 0.0004913500000000 ] - [ -0.0029572600000000, 0.0036895800000000, 0.0046512600000000 ] - [ 0.0008067200000000, -0.0006371900000000, 0.0011751600000000 ] - [ -0.0003551500000000, -0.0003239500000000, -0.0004426300000000 ] - [ 0.0006000600000000, -0.0004656100000000, -0.0008943700000000 ] - [ 0.0009298900000000, -0.0005902200000000, 0.0001923600000000 ] - [ -0.0003194300000000, 0.0008186200000000, 0.0009372000000000 ] - [ -0.0011142100000000, 0.0027521600000000, -0.0012883800000000 ] - [ 0.0000587500000000, 0.0002812700000000, 0.0000986600000000 ] - [ -0.0054410800000000, 0.0006480400000000, 0.0002744100000000 ] - [ 0.0001207700000000, 0.0003809900000000, -0.0001495700000000 ] - [ -0.0002015200000000, 0.0000982800000000, 0.0002068900000000 ] - [ 0.0010401600000000, -0.0001919800000000, -0.0000592000000000 ] - [ 0.0005232900000000, -0.0008514000000000, -0.0002974400000000 ] - [ 0.0004556900000000, 0.0001127100000000, 0.0000516400000000 ] - [ 0.0002441500000000, -0.0001673600000000, 0.0007128400000000 ] - [ 0.0003853600000000, -0.0004815200000000, 0.0005929300000000 ] - [ -0.0004487900000000, 0.0002314900000000, 0.0003080800000000 ] - [ 0.0003233600000000, 0.0000872000000000, -0.0001521200000000 ] - [ 0.0000245700000000, -0.0002253900000000, -0.0024167200000000 ] - [ -0.0005283500000000, 0.0004214800000000, -0.0001315500000000 ] - [ 0.0010290700000000, -0.0017174000000000, -0.0015614100000000 ] - [ 0.0000397300000000, -0.0001343000000000, -0.0001589100000000 ] - [ -0.0007355500000000, 0.0000527000000000, 0.0011626900000000 ] - [ 0.0010824600000000, -0.0012253800000000, 0.0015007200000000 ] - [ 0.0051166400000000, 0.0040293100000000, -0.0026774500000000 ] - [ -0.0010508100000000, -0.0007188400000000, -0.0001114200000000 ] - [ -0.0006387300000000, 0.0003453700000000, -0.0000911000000000 ] - [ -0.0010921100000000, -0.0002350700000000, 0.0003781800000000 ] - [ -0.0012159000000000, -0.0004948600000000, 0.0019659100000000 ] - [ -0.0000452100000000, 0.0002396200000000, 0.0008898400000000 ] - [ 0.0033000200000000, -0.0006786200000000, -0.0033474800000000 ] - [ -0.0039647100000000, -0.0009232200000000, -0.0010571400000000 ] - [ 0.0026927100000000, -0.0041033000000000, -0.0008697500000000 ] - [ -0.0014332600000000, -0.0006383400000000, 0.0002660800000000 ] - [ -0.0006368800000000, 0.0016293100000000, -0.0008396500000000 ] - [ 0.0011938900000000, -0.0004633500000000, -0.0013833300000000 ] - [ 0.0015441200000000, 0.0002785400000000, -0.0005180300000000 ] - [ -0.0005031000000000, 0.0007197300000000, -0.0002324600000000 ] - [ 0.0139823200000000, -0.0116289500000000, -0.0039960100000000 ] - [ -0.0008907000000000, 0.0000602800000000, -0.0005443100000000 ] - [ 0.0037608000000000, 0.0040527600000000, -0.0042522300000000 ] - [ -0.0019198800000000, 0.0009325000000000, 0.0007801900000000 ] - [ 0.0000329500000000, -0.0008274900000000, -0.0003860000000000 ] - [ 0.0010260100000000, 0.0008772700000000, -0.0009243400000000 ] - [ 0.0177959100000000, -0.0637045400000000, 0.1344538600000000 ] - [ 0.0013525700000000, 0.0001718800000000, -0.0009844500000000 ] - [ 0.0024920700000000, -0.0007536200000000, -0.0013641500000000 ] - [ -0.0010128600000000, -0.0023301500000000, 0.0001761200000000 ] - [ 0.0000401100000000, -0.0013034500000000, -0.0022939200000000 ] - [ -0.0004389100000000, 0.0012115800000000, -0.0018061100000000 ] - [ -0.0056106900000000, 0.0011349200000000, 0.0122175800000000 ] - [ 0.0002486100000000, 0.0001821500000000, 0.0000634800000000 ] - [ 0.0015075500000000, -0.0000098500000000, -0.0017194200000000 ] - [ -0.0011804400000000, -0.0005441200000000, -0.0005209400000000 ] - [ 0.0019445100000000, -0.0014599500000000, 0.0037611900000000 ] - [ 0.0020650500000000, -0.0001033500000000, 0.0028736400000000 ] - [ 0.0061643700000000, 0.0043261300000000, 0.0170467900000000 ] - [ 0.0004176500000000, 0.0009044000000000, -0.0010092100000000 ] - [ 0.0005008700000000, 0.0015946600000000, 0.0000001300000000 ] - [ -0.0002762500000000, 0.0009910000000000, -0.0000185000000000 ] - [ 0.0008378200000000, -0.0022515700000000, 0.0006003800000000 ] - [ -0.0000811100000000, -0.0008351200000000, 0.0004820600000000 ] - [ 0.0028137900000000, -0.0001303100000000, -0.0025526200000000 ] - [ -0.0036402900000000, -0.0003182300000000, -0.0015534200000000 ] - [ -0.0001728400000000, 0.0014863800000000, -0.0044340200000000 ] - [ -0.0017325200000000, -0.0017023200000000, -0.0065844900000000 ] - [ -0.0017547900000000, 0.0016439200000000, 0.0037789000000000 ] - [ -0.0000815700000000, 0.0001657800000000, 0.0002062300000000 ] - [ 0.0022302000000000, -0.0012284000000000, -0.0025466400000000 ] - [ -0.0015231300000000, 0.0003069600000000, -0.0004566700000000 ] - [ 0.0005300800000000, 0.0004474500000000, 0.0022008500000000 ] - [ 0.0006662500000000, -0.0003615100000000, 0.0023525600000000 ]- atom: 41 displacement: [ 0.0050436217710434, 0.0000000000000000, -0.0086349220859633 ] forces: - [ 0.0012623600000000, -0.0000032000000000, -0.0013732900000000 ] - [ -0.0019715300000000, -0.0006945600000000, -0.0002208100000000 ] - [ 0.0009164100000000, 0.0023934300000000, 0.0006900300000000 ] - [ 0.0001027800000000, 0.0000686800000000, -0.0001505000000000 ] - [ 0.0014359700000000, 0.0016203800000000, -0.0017491200000000 ] - [ -0.0003070600000000, 0.0000257000000000, -0.0000755700000000 ] - [ -0.0018415300000000, -0.0030257400000000, 0.0022990100000000 ] - [ -0.0000121900000000, -0.0001172100000000, 0.0000308300000000 ] - [ 0.0014395300000000, 0.0005275500000000, -0.0023405100000000 ] - [ 0.0001390700000000, -0.0007179100000000, -0.0009236500000000 ] - [ -0.0000135800000000, -0.0007458600000000, 0.0002742600000000 ] - [ -0.0017248800000000, -0.0014669300000000, 0.0022650900000000 ] - [ -0.0011524000000000, 0.0001559500000000, 0.0000557200000000 ] - [ -0.0002785400000000, 0.0006953600000000, -0.0003350200000000 ] - [ 0.0057249700000000, 0.0062880800000000, -0.0021191800000000 ] - [ 0.0005422100000000, 0.0006241700000000, 0.0000938300000000 ] - [ 0.0015154600000000, 0.0037787800000000, -0.0079095600000000 ] - [ -0.0001094000000000, 0.0000637700000000, -0.0010554200000000 ] - [ -0.0005260300000000, -0.0002776600000000, 0.0008088000000000 ] - [ -0.0005330800000000, 0.0001430800000000, 0.0000922300000000 ] - [ 0.0006404700000000, -0.0003814400000000, -0.0003335400000000 ] - [ -0.0014709700000000, -0.0004947700000000, 0.0001430600000000 ] - [ 0.0028590300000000, 0.0005604400000000, -0.0002463900000000 ] - [ 0.0000295600000000, 0.0000927200000000, -0.0001518800000000 ] - [ -0.0002597700000000, 0.0126643700000000, -0.0045472700000000 ] - [ 0.0001094600000000, 0.0000039600000000, -0.0006106000000000 ] - [ 0.0004897200000000, 0.0000215600000000, -0.0000994400000000 ] - [ -0.0004155800000000, -0.0006436600000000, 0.0004697700000000 ] - [ -0.0005496000000000, -0.0005830700000000, 0.0010296600000000 ] - [ 0.0003024200000000, 0.0002097100000000, 0.0004551500000000 ] - [ 0.0020804400000000, -0.0004430300000000, -0.0022153600000000 ] - [ -0.0013429000000000, 0.0007480500000000, -0.0003502400000000 ] - [ 0.0006271000000000, -0.0037853700000000, -0.0030491100000000 ] - [ -0.0008644900000000, 0.0000442800000000, -0.0003366500000000 ] - [ 0.0003536500000000, -0.0003034100000000, -0.0000839400000000 ] - [ -0.0050692700000000, 0.0008057000000000, 0.0050323200000000 ] - [ 0.0003539400000000, 0.0008427400000000, 0.0007889000000000 ] - [ 0.0000743300000000, 0.0003823400000000, 0.0004537800000000 ] - [ -0.0043357900000000, 0.0008881300000000, -0.0069896200000000 ] - [ 0.0008972200000000, 0.0007081500000000, -0.0015125300000000 ] - [ 0.0313736000000000, -0.0745407400000000, 0.2008229400000000 ] - [ 0.0000187400000000, 0.0004449900000000, -0.0005860900000000 ] - [ 0.0001164700000000, 0.0002749300000000, 0.0000102500000000 ] - [ -0.0001558600000000, 0.0004857100000000, 0.0000368800000000 ] - [ 0.0004749400000000, -0.0008623700000000, 0.0015897700000000 ] - [ 0.0003409600000000, -0.0002693100000000, 0.0008413500000000 ] - [ 0.0005274400000000, -0.0005534700000000, -0.0019588900000000 ] - [ -0.0016080500000000, -0.0009968800000000, -0.0015861000000000 ] - [ 0.0027441700000000, -0.0029241500000000, -0.0379659400000000 ] - [ 0.0000181600000000, -0.0005130200000000, -0.0003776300000000 ] - [ 0.0004510000000000, -0.0001953400000000, -0.0003739000000000 ] - [ -0.0002609900000000, -0.0003945700000000, 0.0000262600000000 ] - [ -0.0006932900000000, 0.0010535600000000, 0.0002755600000000 ] - [ 0.0007793600000000, 0.0004094300000000, -0.0004197800000000 ] - [ 0.0016225000000000, 0.0000876700000000, -0.0010930800000000 ] - [ -0.0011769800000000, -0.0001306600000000, 0.0003992000000000 ] - [ -0.0032411100000000, 0.0033151100000000, 0.0021721000000000 ] - [ 0.0007339100000000, 0.0003459700000000, 0.0000320700000000 ] - [ 0.0008660800000000, -0.0007332100000000, -0.0012544900000000 ] - [ -0.0006282000000000, 0.0002413200000000, -0.0004456300000000 ] - [ 0.0020108700000000, -0.0068893900000000, 0.0004532600000000 ] - [ -0.0000951800000000, -0.0003227700000000, -0.0003664400000000 ] - [ 0.0010250600000000, -0.0002883100000000, -0.0004369000000000 ] - [ -0.0005266400000000, 0.0000284800000000, 0.0000710100000000 ] - [ 0.0028781900000000, -0.0041323600000000, -0.0041187200000000 ] - [ -0.0008743700000000, 0.0001714800000000, -0.0006628300000000 ] - [ 0.0004160100000000, -0.0001435100000000, -0.0000749900000000 ] - [ -0.0005370800000000, 0.0000057700000000, 0.0003783300000000 ] - [ -0.0008714600000000, 0.0010618100000000, -0.0007022000000000 ] - [ 0.0003813800000000, -0.0003477700000000, -0.0014482600000000 ] - [ 0.0010560700000000, -0.0022943600000000, 0.0018213900000000 ] - [ -0.0001211000000000, 0.0001850100000000, 0.0004175200000000 ] - [ 0.0043443000000000, -0.0008241800000000, 0.0000418500000000 ] - [ -0.0012081400000000, -0.0005715100000000, 0.0004677000000000 ] - [ 0.0012800400000000, -0.0002837100000000, -0.0005277200000000 ] - [ 0.0000354600000000, 0.0000086600000000, -0.0002617100000000 ] - [ 0.0005593500000000, 0.0010307000000000, -0.0000014400000000 ] - [ 0.0006220700000000, 0.0000724800000000, -0.0003699600000000 ] - [ 0.0002862400000000, -0.0006783300000000, -0.0000952900000000 ] - [ 0.0001394900000000, -0.0003668100000000, 0.0000260600000000 ] - [ 0.0006289700000000, 0.0000365800000000, -0.0006759600000000 ] - [ -0.0001424800000000, 0.0001793600000000, -0.0002169700000000 ] - [ -0.0001977300000000, 0.0004942200000000, 0.0027887600000000 ] - [ 0.0003438000000000, -0.0001568600000000, 0.0005063000000000 ] - [ -0.0008411300000000, 0.0014378400000000, 0.0011816000000000 ] - [ 0.0001401100000000, -0.0001315300000000, -0.0002092800000000 ] - [ 0.0005536900000000, -0.0003199600000000, -0.0007956000000000 ] - [ -0.0012517200000000, 0.0009490300000000, -0.0011287300000000 ] - [ -0.0065576300000000, -0.0056740000000000, 0.0035896900000000 ] - [ -0.0003610700000000, -0.0009329600000000, 0.0010159800000000 ] - [ -0.0008298300000000, 0.0002706200000000, 0.0014990800000000 ] - [ -0.0003844400000000, 0.0008499000000000, 0.0010333800000000 ] - [ -0.0002580400000000, -0.0001206100000000, -0.0005560300000000 ] - [ -0.0014239300000000, -0.0008603800000000, 0.0005125600000000 ] - [ -0.0018314900000000, 0.0000622300000000, 0.0019405500000000 ] - [ 0.0054425600000000, 0.0003088000000000, -0.0003411100000000 ] - [ -0.0036988900000000, 0.0035390300000000, 0.0014869500000000 ] - [ 0.0004415600000000, 0.0000428000000000, 0.0003567700000000 ] - [ 0.0016265100000000, -0.0022280000000000, 0.0002074000000000 ] - [ -0.0002035300000000, -0.0001348900000000, 0.0007551300000000 ] - [ -0.0005525800000000, 0.0003204100000000, -0.0001013800000000 ] - [ 0.0014941300000000, -0.0001284500000000, -0.0003843800000000 ] - [ -0.0149121100000000, 0.0121504700000000, 0.0046313200000000 ] - [ -0.0000914900000000, 0.0005394900000000, 0.0011710700000000 ] - [ -0.0052025300000000, -0.0024278400000000, 0.0051428900000000 ] - [ 0.0004945000000000, 0.0007136000000000, 0.0001226900000000 ] - [ 0.0013900200000000, 0.0024810400000000, -0.0005179100000000 ] - [ 0.0003958000000000, 0.0007706500000000, 0.0000175400000000 ] - [ -0.0141027600000000, 0.0614164500000000, -0.1327091700000000 ] - [ 0.0001237500000000, 0.0004470700000000, -0.0004226900000000 ] - [ -0.0010673500000000, -0.0008996300000000, 0.0004643300000000 ] - [ 0.0024304700000000, 0.0006784900000000, -0.0010538800000000 ] - [ 0.0002399000000000, 0.0017745500000000, 0.0021541100000000 ] - [ 0.0007089000000000, -0.0007426600000000, 0.0016605300000000 ] - [ 0.0053087600000000, -0.0007158900000000, -0.0120751400000000 ] - [ -0.0005203600000000, 0.0002804200000000, 0.0000833900000000 ] - [ -0.0017847200000000, -0.0004496300000000, 0.0018682800000000 ] - [ 0.0009095400000000, 0.0000789900000000, 0.0006727400000000 ] - [ -0.0016798300000000, 0.0009959800000000, -0.0038940600000000 ] - [ -0.0017774300000000, -0.0003519800000000, -0.0030356300000000 ] - [ -0.0068381700000000, -0.0025386900000000, -0.0179370100000000 ] - [ -0.0007361500000000, 0.0009935900000000, 0.0002868100000000 ] - [ -0.0001772800000000, 0.0003040500000000, 0.0007063400000000 ] - [ 0.0005938900000000, 0.0009039800000000, 0.0007340000000000 ] - [ -0.0005260600000000, 0.0003522300000000, 0.0001221200000000 ] - [ 0.0004033900000000, -0.0010612200000000, 0.0002338300000000 ] - [ -0.0031252900000000, -0.0017592300000000, 0.0018401400000000 ] - [ 0.0033302600000000, -0.0015734100000000, 0.0008841000000000 ] - [ 0.0006105600000000, -0.0012260900000000, 0.0040937200000000 ] - [ 0.0021357000000000, 0.0019546800000000, 0.0061963200000000 ] - [ 0.0013288400000000, -0.0013746200000000, -0.0034304600000000 ] - [ -0.0003395600000000, 0.0001001500000000, 0.0001469700000000 ] - [ -0.0026519600000000, 0.0009525200000000, 0.0028972800000000 ] - [ 0.0011005500000000, -0.0005745200000000, 0.0008113800000000 ] - [ -0.0001062700000000, -0.0007136900000000, -0.0025504900000000 ] - [ -0.0002233200000000, 0.0000778900000000, -0.0027388900000000 ]- atom: 49 displacement: [ 0.0099999999206514, 0.0000000000000000, 0.0000012597509720 ] forces: - [ 0.0026224900000000, -0.0003896000000000, -0.0019478100000000 ] - [ 0.0042649800000000, 0.0044128600000000, 0.0046649000000000 ] - [ -0.0016831500000000, -0.0018358100000000, 0.0006542300000000 ] - [ 0.0010268200000000, -0.0002529400000000, -0.0002691300000000 ] - [ 0.0010441200000000, 0.0000627400000000, -0.0013908000000000 ] - [ 0.0001513900000000, 0.0000642000000000, 0.0007302700000000 ] - [ -0.0009519500000000, -0.0001457800000000, 0.0003279800000000 ] - [ 0.0011379100000000, -0.0001251100000000, -0.0011222900000000 ] - [ -0.0012051600000000, -0.0007680800000000, -0.0001129600000000 ] - [ 0.0016060900000000, -0.0008244800000000, 0.0001340900000000 ] - [ 0.0018982400000000, -0.0016353200000000, 0.0010672400000000 ] - [ 0.0013541000000000, 0.0033604400000000, -0.0012610200000000 ] - [ -0.0002503900000000, 0.0005525600000000, 0.0006046200000000 ] - [ -0.0012379700000000, 0.0004864300000000, -0.0001970100000000 ] - [ -0.0001650100000000, 0.0011223400000000, -0.0018950500000000 ] - [ 0.0019868400000000, 0.0006764100000000, 0.0015171100000000 ] - [ 0.0008325100000000, 0.0005364800000000, -0.0010276700000000 ] - [ 0.0006707300000000, 0.0004656300000000, 0.0001630800000000 ] - [ -0.0009288500000000, -0.0001197300000000, -0.0001180800000000 ] - [ -0.0001698900000000, -0.0001852100000000, 0.0002839600000000 ] - [ 0.0005730000000000, -0.0018836100000000, -0.0003389500000000 ] - [ 0.0007826000000000, 0.0011582700000000, 0.0006513000000000 ] - [ -0.0007330000000000, 0.0026254700000000, 0.0007754200000000 ] - [ 0.0031419600000000, -0.0014921600000000, 0.0001544000000000 ] - [ -0.0083410800000000, -0.0057044900000000, -0.0021309000000000 ] - [ 0.0014101900000000, 0.0005464000000000, -0.0007471600000000 ] - [ 0.0013438800000000, -0.0009552800000000, -0.0001100900000000 ] - [ -0.0020802200000000, 0.0013996600000000, 0.0013855600000000 ] - [ -0.0002891100000000, -0.0004666200000000, 0.0009657500000000 ] - [ 0.0002034100000000, -0.0006563100000000, -0.0000808400000000 ] - [ 0.0005336500000000, 0.0004126000000000, -0.0020134000000000 ] - [ 0.0000824900000000, 0.0003911800000000, 0.0004290300000000 ] - [ -0.0006806300000000, 0.0000347100000000, -0.0005765700000000 ] - [ -0.0003345200000000, 0.0000600500000000, 0.0008379000000000 ] - [ 0.0020430500000000, 0.0004952700000000, 0.0007250300000000 ] - [ 0.0195439900000000, -0.0141737500000000, -0.0133734900000000 ] - [ -0.0000399800000000, 0.0001500000000000, -0.0003482100000000 ] - [ 0.0008862900000000, 0.0000641600000000, 0.0008680700000000 ] - [ 0.0001494900000000, 0.0008891600000000, -0.0006451200000000 ] - [ -0.0014005600000000, 0.0008590000000000, -0.0013516000000000 ] - [ -0.0095792900000000, 0.0007718800000000, -0.0091312600000000 ] - [ 0.0007766000000000, 0.0005932600000000, -0.0000958500000000 ] - [ 0.0004203900000000, 0.0002550000000000, 0.0002494000000000 ] - [ -0.0003866900000000, -0.0000181400000000, 0.0006023700000000 ] - [ 0.0006819300000000, -0.0022410000000000, 0.0017280700000000 ] - [ 0.0004896500000000, -0.0000223400000000, -0.0000917700000000 ] - [ -0.0003483500000000, 0.0006315000000000, -0.0025992300000000 ] - [ 0.0012471600000000, -0.0009434800000000, 0.0015669800000000 ] - [ -0.2223724900000000, 0.1571228700000000, 0.0834442100000000 ] - [ 0.0014557600000000, -0.0005971900000000, 0.0000057000000000 ] - [ 0.0007111300000000, -0.0004212600000000, -0.0000989800000000 ] - [ -0.0009903100000000, -0.0010294100000000, 0.0003635400000000 ] - [ 0.0001128600000000, 0.0002647000000000, 0.0005480000000000 ] - [ 0.0003089600000000, -0.0001164500000000, -0.0010132200000000 ] - [ 0.0002120700000000, 0.0009560600000000, -0.0015117300000000 ] - [ 0.0000037700000000, 0.0003608200000000, 0.0008984900000000 ] - [ -0.0012409900000000, 0.0007297800000000, 0.0018194000000000 ] - [ 0.0008510100000000, 0.0007614900000000, -0.0005741300000000 ] - [ -0.0000342100000000, 0.0000745700000000, -0.0012014700000000 ] - [ -0.0001146600000000, 0.0001217300000000, 0.0002823700000000 ] - [ 0.0000838600000000, -0.0116781000000000, 0.0054140500000000 ] - [ 0.0010945100000000, 0.0000811100000000, -0.0005909200000000 ] - [ 0.0008304900000000, 0.0005137200000000, -0.0001564700000000 ] - [ 0.0002476500000000, -0.0019398600000000, 0.0011286800000000 ] - [ 0.0054844800000000, -0.0176186400000000, -0.0180171800000000 ] - [ 0.0011765500000000, -0.0000753100000000, 0.0008589700000000 ] - [ 0.0006264100000000, -0.0000438600000000, 0.0001381500000000 ] - [ -0.0003977300000000, -0.0018968500000000, -0.0001341700000000 ] - [ 0.0004831200000000, 0.0001014300000000, 0.0001424100000000 ] - [ -0.0014930500000000, 0.0001902200000000, -0.0020513100000000 ] - [ -0.0007522900000000, -0.0006807900000000, -0.0016387000000000 ] - [ 0.0004933200000000, 0.0002826400000000, 0.0010090400000000 ] - [ 0.0245653900000000, -0.0076224200000000, 0.0042156200000000 ] - [ 0.0021176000000000, 0.0012041900000000, 0.0001392000000000 ] - [ 0.0007740800000000, -0.0006866100000000, -0.0004694400000000 ] - [ 0.0010522400000000, -0.0005036900000000, 0.0000190000000000 ] - [ 0.0002067700000000, -0.0000650500000000, -0.0002444900000000 ] - [ 0.0005549000000000, -0.0000710300000000, -0.0002575800000000 ] - [ -0.0016667400000000, -0.0017254300000000, 0.0000496300000000 ] - [ 0.0012541500000000, -0.0004630300000000, 0.0005238500000000 ] - [ 0.0004297000000000, -0.0009568000000000, -0.0006710100000000 ] - [ 0.0001311500000000, -0.0000374400000000, 0.0000709200000000 ] - [ -0.0005572300000000, 0.0012509400000000, 0.0018528300000000 ] - [ 0.0012669800000000, 0.0007042800000000, -0.0010590000000000 ] - [ -0.0012511600000000, -0.0010774700000000, 0.0004474700000000 ] - [ 0.0006048200000000, -0.0003317000000000, -0.0002959600000000 ] - [ 0.0008615900000000, 0.0001817600000000, -0.0004545400000000 ] - [ 0.0008384900000000, -0.0030220500000000, 0.0064711500000000 ] - [ 0.0056309900000000, -0.0009763600000000, -0.0019655600000000 ] - [ -0.0032481900000000, -0.0001366700000000, 0.0003907000000000 ] - [ -0.0021947500000000, 0.0011417900000000, 0.0009831000000000 ] - [ 0.0022953300000000, 0.0004808200000000, 0.0004176600000000 ] - [ -0.0012585900000000, 0.0007902100000000, -0.0009747700000000 ] - [ -0.0005715500000000, 0.0002628000000000, 0.0019404400000000 ] - [ 0.0010763300000000, -0.0013888900000000, 0.0025615400000000 ] - [ 0.0000317200000000, -0.0009407500000000, -0.0024459300000000 ] - [ -0.0005604400000000, -0.0004693000000000, 0.0027753000000000 ] - [ -0.0009642600000000, -0.0001136100000000, -0.0007748200000000 ] - [ 0.0007820100000000, 0.0002199300000000, -0.0012262000000000 ] - [ 0.0003531800000000, -0.0003051300000000, 0.0012818400000000 ] - [ -0.0003015200000000, 0.0001578500000000, -0.0006459700000000 ] - [ 0.0006635600000000, 0.0021480300000000, -0.0008847800000000 ] - [ 0.1227244500000000, -0.0717707600000000, -0.0070280600000000 ] - [ -0.0034848000000000, -0.0002797500000000, -0.0001910900000000 ] - [ -0.0012848300000000, 0.0005471800000000, 0.0027556700000000 ] - [ -0.0008252000000000, 0.0004547300000000, -0.0016737400000000 ] - [ 0.0012170600000000, 0.0011542800000000, -0.0008818000000000 ] - [ 0.0002812300000000, 0.0015434900000000, 0.0004963900000000 ] - [ 0.0594043200000000, -0.0329028500000000, -0.0468003400000000 ] - [ -0.0022045900000000, 0.0000826900000000, -0.0008461000000000 ] - [ -0.0031748200000000, 0.0014377800000000, 0.0009124300000000 ] - [ -0.0000208500000000, -0.0066669800000000, -0.0018492700000000 ] - [ -0.0009212300000000, 0.0000412400000000, 0.0006017000000000 ] - [ 0.0018026600000000, 0.0024502300000000, -0.0015631600000000 ] - [ 0.0060282400000000, -0.0037451500000000, 0.0002540000000000 ] - [ -0.0022875200000000, 0.0004207400000000, -0.0005238900000000 ] - [ 0.0006790700000000, -0.0004296900000000, 0.0010691500000000 ] - [ -0.0010441000000000, 0.0005555000000000, -0.0009020900000000 ] - [ -0.0029355300000000, 0.0028141600000000, -0.0084805000000000 ] - [ -0.0024245700000000, -0.0023709600000000, 0.0025650700000000 ] - [ 0.0020376100000000, 0.0003532000000000, 0.0008389600000000 ] - [ -0.0008470000000000, 0.0002148900000000, 0.0003816500000000 ] - [ -0.0000229500000000, 0.0016763000000000, 0.0014001400000000 ] - [ 0.0001131500000000, 0.0013603800000000, -0.0003740400000000 ] - [ 0.0008108000000000, 0.0038497600000000, 0.0005106400000000 ] - [ -0.0012426900000000, -0.0010624000000000, 0.0004097500000000 ] - [ -0.0056929200000000, -0.0073320800000000, 0.0037893400000000 ] - [ -0.0091433500000000, 0.0017614200000000, -0.0075378900000000 ] - [ -0.0020424100000000, -0.0001115900000000, 0.0007735700000000 ] - [ 0.0109187500000000, -0.0041866400000000, -0.0035387500000000 ] - [ 0.0013551300000000, 0.0025036800000000, 0.0007890500000000 ] - [ -0.0014692000000000, 0.0003449400000000, -0.0001193700000000 ] - [ -0.0021371100000000, 0.0043010300000000, 0.0046136000000000 ] - [ -0.0015727300000000, -0.0005705000000000, -0.0010958300000000 ] - [ -0.0001307300000000, -0.0017765200000000, -0.0022642800000000 ] - [ -0.0042602700000000, 0.0039871900000000, 0.0045636900000000 ]- atom: 49 displacement: [ -0.0099999999206514, 0.0000000000000000, -0.0000012597509720 ] forces: - [ -0.0029546300000000, 0.0004787800000000, 0.0020839200000000 ] - [ -0.0045300300000000, -0.0042846700000000, -0.0044947200000000 ] - [ 0.0020171900000000, 0.0019407700000000, -0.0007761700000000 ] - [ -0.0007101800000000, 0.0003348200000000, 0.0001510000000000 ] - [ -0.0007317900000000, -0.0001482000000000, 0.0012780200000000 ] - [ 0.0001643400000000, -0.0001465800000000, -0.0008481900000000 ] - [ 0.0006447700000000, 0.0000688800000000, -0.0002076900000000 ] - [ -0.0014514800000000, 0.0000411800000000, 0.0012357200000000 ] - [ 0.0024224300000000, -0.0005123900000000, -0.0004983700000000 ] - [ -0.0003971400000000, -0.0004670300000000, -0.0007255800000000 ] - [ -0.0031215300000000, 0.0003561400000000, -0.0004757900000000 ] - [ -0.0025596100000000, -0.0046251400000000, 0.0018423400000000 ] - [ -0.0009568500000000, 0.0007386100000000, -0.0000047500000000 ] - [ 0.0000287100000000, 0.0008040000000000, 0.0007888700000000 ] - [ 0.0013621500000000, 0.0001629500000000, 0.0013028200000000 ] - [ -0.0007835800000000, 0.0006132200000000, -0.0021202300000000 ] - [ 0.0003440900000000, -0.0002608700000000, 0.0005948000000000 ] - [ 0.0005024000000000, -0.0001837100000000, -0.0006179500000000 ] - [ -0.0002494000000000, 0.0004035600000000, 0.0005715000000000 ] - [ -0.0010097800000000, 0.0004672300000000, 0.0001637400000000 ] - [ -0.0017431300000000, 0.0016124500000000, 0.0007903300000000 ] - [ -0.0019617300000000, -0.0014370500000000, -0.0002044500000000 ] - [ 0.0019308600000000, -0.0029284500000000, -0.0012320300000000 ] - [ -0.0019596200000000, 0.0012060600000000, -0.0006012100000000 ] - [ 0.0083070700000000, 0.0057691600000000, 0.0012079900000000 ] - [ -0.0014082700000000, -0.0006418700000000, -0.0002277700000000 ] - [ -0.0013519800000000, 0.0008680500000000, 0.0010890600000000 ] - [ 0.0020719700000000, -0.0014911300000000, -0.0004112200000000 ] - [ 0.0002877200000000, 0.0005622400000000, 0.0000092000000000 ] - [ -0.0002104600000000, 0.0007457700000000, 0.0010548000000000 ] - [ -0.0005319600000000, -0.0003194100000000, 0.0010426600000000 ] - [ -0.0000757600000000, -0.0003006400000000, -0.0014039800000000 ] - [ -0.0004006400000000, 0.0001566200000000, 0.0009052500000000 ] - [ -0.0007439200000000, 0.0001240800000000, -0.0005204000000000 ] - [ -0.0025804900000000, -0.0013524200000000, -0.0013519400000000 ] - [ -0.0197937400000000, 0.0131250900000000, 0.0125222600000000 ] - [ 0.0005615000000000, 0.0007004500000000, 0.0009702100000000 ] - [ -0.0003567000000000, 0.0007849100000000, -0.0002490700000000 ] - [ -0.0006702300000000, -0.0000422900000000, 0.0000396300000000 ] - [ 0.0008749700000000, -0.0000102800000000, 0.0007296000000000 ] - [ 0.0092693600000000, 0.0002176000000000, 0.0083954000000000 ] - [ -0.0010386300000000, 0.0003932000000000, -0.0008779100000000 ] - [ -0.0001612700000000, 0.0007329800000000, 0.0007243300000000 ] - [ 0.0006440200000000, 0.0010051800000000, 0.0003659400000000 ] - [ -0.0004166700000000, 0.0012604000000000, -0.0007545100000000 ] - [ -0.0002333900000000, -0.0009624400000000, 0.0010601700000000 ] - [ 0.0000936200000000, -0.0016240900000000, 0.0016412300000000 ] - [ -0.0015031400000000, -0.0000440500000000, -0.0025323600000000 ] - [ 0.2283333300000000, -0.1629542200000000, -0.0828911500000000 ] - [ -0.0016581800000000, -0.0001114200000000, 0.0001499400000000 ] - [ -0.0005113000000000, -0.0002873400000000, -0.0000549300000000 ] - [ 0.0011867100000000, 0.0003209800000000, -0.0005199700000000 ] - [ 0.0000890500000000, 0.0004440800000000, -0.0007017300000000 ] - [ -0.0001118500000000, 0.0008260300000000, 0.0008588800000000 ] - [ -0.0004167000000000, -0.0002479400000000, 0.0016705700000000 ] - [ -0.0002022700000000, 0.0003482200000000, -0.0007443800000000 ] - [ 0.0016255500000000, -0.0000782300000000, -0.0012517500000000 ] - [ -0.0004839900000000, -0.0001015600000000, 0.0011413300000000 ] - [ -0.0003358400000000, 0.0005858000000000, 0.0006356100000000 ] - [ -0.0002544400000000, 0.0005374900000000, -0.0008517700000000 ] - [ -0.0003647100000000, 0.0110562300000000, -0.0059994000000000 ] - [ -0.0014652800000000, -0.0007385000000000, 0.0000218600000000 ] - [ -0.0004631600000000, -0.0011806400000000, 0.0007276300000000 ] - [ 0.0001164500000000, 0.0012778000000000, -0.0005582700000000 ] - [ -0.0055237400000000, 0.0173326400000000, 0.0187134300000000 ] - [ -0.0012375200000000, -0.0003908000000000, -0.0003393600000000 ] - [ -0.0005638700000000, -0.0004244400000000, -0.0006546200000000 ] - [ 0.0004479100000000, 0.0014255900000000, -0.0003831200000000 ] - [ -0.0004203700000000, 0.0003657300000000, -0.0006542100000000 ] - [ 0.0015583700000000, 0.0002740300000000, 0.0015351000000000 ] - [ 0.0006767700000000, 0.0011481100000000, 0.0021581000000000 ] - [ -0.0005544600000000, 0.0001837800000000, -0.0004947400000000 ] - [ -0.0261596500000000, 0.0075924300000000, -0.0039778300000000 ] - [ -0.0031928300000000, -0.0013857400000000, 0.0001801900000000 ] - [ 0.0003089400000000, 0.0005011300000000, 0.0001486200000000 ] - [ 0.0000231000000000, 0.0003192700000000, -0.0003386900000000 ] - [ 0.0008724500000000, 0.0002482400000000, -0.0000702000000000 ] - [ 0.0005213200000000, 0.0002572300000000, -0.0000639500000000 ] - [ 0.0021958100000000, 0.0008802300000000, 0.0005668200000000 ] - [ -0.0007273500000000, -0.0003846900000000, 0.0000966800000000 ] - [ -0.0002502900000000, 0.0012260800000000, 0.0003032000000000 ] - [ 0.0000493800000000, 0.0003041800000000, -0.0004392600000000 ] - [ 0.0003852500000000, -0.0009920300000000, -0.0014965600000000 ] - [ -0.0014452100000000, -0.0004361800000000, 0.0014232900000000 ] - [ 0.0014330800000000, 0.0008114700000000, -0.0008187700000000 ] - [ -0.0004250100000000, 0.0000673100000000, -0.0000730800000000 ] - [ -0.0010478700000000, -0.0004496900000000, 0.0008290800000000 ] - [ -0.0010393100000000, 0.0027390400000000, -0.0060560700000000 ] - [ -0.0071323500000000, -0.0007051100000000, 0.0029066300000000 ] - [ 0.0018252100000000, -0.0015081800000000, 0.0005086200000000 ] - [ 0.0007230400000000, -0.0005281400000000, 0.0004212900000000 ] - [ -0.0037688300000000, 0.0001351900000000, 0.0009932100000000 ] - [ -0.0002183100000000, -0.0014113900000000, 0.0023837100000000 ] - [ -0.0008945300000000, -0.0008802700000000, -0.0005313300000000 ] - [ 0.0003937800000000, 0.0007694200000000, -0.0039798000000000 ] - [ 0.0014315700000000, 0.0003232800000000, 0.0010362700000000 ] - [ -0.0004227400000000, -0.0001313300000000, -0.0021609900000000 ] - [ -0.0000278100000000, -0.0004835500000000, 0.0013991700000000 ] - [ 0.0002039000000000, -0.0008151300000000, 0.0005988700000000 ] - [ 0.0006398900000000, -0.0002924600000000, -0.0019016000000000 ] - [ 0.0012877900000000, 0.0004418200000000, 0.0000244000000000 ] - [ 0.0003340900000000, -0.0015492700000000, 0.0002654500000000 ] - [ -0.1295891300000000, 0.0780864100000000, 0.0082752000000000 ] - [ 0.0024933500000000, 0.0008738600000000, 0.0008110900000000 ] - [ -0.0001275600000000, 0.0011075200000000, -0.0018644600000000 ] - [ -0.0005936100000000, 0.0011964900000000, 0.0025804600000000 ] - [ 0.0001992100000000, 0.0004883400000000, -0.0000267000000000 ] - [ 0.0011407300000000, 0.0001077700000000, -0.0013946300000000 ] - [ -0.0579350900000000, 0.0325160300000000, 0.0441042100000000 ] - [ 0.0036863500000000, 0.0005361200000000, -0.0005595300000000 ] - [ 0.0046101000000000, -0.0031133600000000, -0.0018320100000000 ] - [ 0.0014526700000000, 0.0050058300000000, 0.0009544000000000 ] - [ 0.0011954900000000, 0.0004223200000000, -0.0007592300000000 ] - [ -0.0015216500000000, -0.0019900600000000, 0.0014245400000000 ] - [ -0.0062923400000000, 0.0042559500000000, -0.0001120800000000 ] - [ 0.0020198900000000, 0.0000399000000000, 0.0006782000000000 ] - [ -0.0009603900000000, -0.0000311700000000, -0.0009192600000000 ] - [ 0.0007694000000000, -0.0010180400000000, 0.0010469300000000 ] - [ 0.0031990500000000, -0.0033118100000000, 0.0083877700000000 ] - [ 0.0027019500000000, 0.0018988900000000, -0.0027039800000000 ] - [ -0.0024023500000000, 0.0015330900000000, -0.0016047900000000 ] - [ 0.0005273600000000, 0.0016814300000000, -0.0010897700000000 ] - [ 0.0003436800000000, 0.0002191300000000, -0.0006913200000000 ] - [ 0.0002056500000000, 0.0005343600000000, 0.0010901800000000 ] - [ -0.0005032700000000, -0.0057478300000000, 0.0002135400000000 ] - [ 0.0015629100000000, -0.0008351600000000, 0.0003048700000000 ] - [ 0.0054067800000000, 0.0054860200000000, -0.0045390300000000 ] - [ 0.0087783300000000, -0.0036413700000000, 0.0067850800000000 ] - [ 0.0024705000000000, 0.0003786300000000, -0.0011424100000000 ] - [ -0.0104792500000000, 0.0044799000000000, 0.0032438600000000 ] - [ -0.0017615500000000, -0.0022632400000000, -0.0004509600000000 ] - [ 0.0010439400000000, -0.0000791200000000, 0.0004743500000000 ] - [ 0.0017135400000000, -0.0045696900000000, -0.0042647800000000 ] - [ 0.0011454700000000, 0.0003024700000000, 0.0014456000000000 ] - [ 0.0005428300000000, 0.0015225000000000, 0.0019210200000000 ] - [ 0.0046846200000000, -0.0042383500000000, -0.0049012900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011641600000000, -0.0006784400000000, 0.0004444000000000 ] - [ 0.0033238900000000, -0.0020330900000000, 0.0003734600000000 ] - [ 0.0032183100000000, 0.0066720600000000, -0.0006797300000000 ] - [ -0.0001757700000000, 0.0005098700000000, 0.0000162200000000 ] - [ -0.0008449600000000, 0.0000652100000000, 0.0008665500000000 ] - [ 0.0003569100000000, 0.0001930200000000, -0.0000757400000000 ] - [ 0.0007099400000000, 0.0001548900000000, 0.0011580200000000 ] - [ -0.0009856500000000, -0.0001829900000000, 0.0006793700000000 ] - [ 0.0021589800000000, 0.0022375900000000, -0.0039902900000000 ] - [ 0.0002478100000000, -0.0005084700000000, -0.0004298500000000 ] - [ -0.0016905200000000, -0.0006454300000000, 0.0001202500000000 ] - [ 0.0034310500000000, 0.0002053400000000, -0.0010469000000000 ] - [ -0.0005474200000000, 0.0008366200000000, 0.0005845300000000 ] - [ -0.0004443700000000, 0.0009130900000000, -0.0001507300000000 ] - [ 0.0010254900000000, -0.0001276900000000, -0.0002756300000000 ] - [ 0.0000656200000000, 0.0006499500000000, -0.0009581500000000 ] - [ 0.0000832900000000, -0.0005243900000000, 0.0002900300000000 ] - [ 0.0011350400000000, -0.0002609000000000, 0.0007612700000000 ] - [ -0.0003262300000000, 0.0008020400000000, 0.0011070300000000 ] - [ -0.0009239800000000, 0.0005717400000000, 0.0002396500000000 ] - [ -0.0025980400000000, 0.0007077400000000, 0.0002518600000000 ] - [ 0.0004326700000000, 0.0003262400000000, 0.0003755500000000 ] - [ 0.0056071500000000, -0.0002140000000000, -0.0005158200000000 ] - [ -0.0007813500000000, 0.0003269200000000, -0.0006877400000000 ] - [ 0.0002223100000000, 0.0312504500000000, 0.0149996400000000 ] - [ -0.0004451300000000, -0.0003382000000000, -0.0003620300000000 ] - [ -0.0008019400000000, 0.0004150800000000, 0.0008080200000000 ] - [ 0.0010501700000000, 0.0015625300000000, 0.0008131700000000 ] - [ 0.0005481800000000, 0.0011976800000000, 0.0003097100000000 ] - [ -0.0001967800000000, 0.0009013500000000, 0.0007087600000000 ] - [ -0.0007026800000000, -0.0009718600000000, 0.0006320600000000 ] - [ 0.0003559800000000, -0.0005762500000000, -0.0006940800000000 ] - [ -0.0003752400000000, -0.0001008300000000, 0.0007920300000000 ] - [ -0.0006129200000000, -0.0002606100000000, -0.0004714600000000 ] - [ -0.0003672700000000, -0.0011456000000000, -0.0005412000000000 ] - [ -0.0132529400000000, 0.0020399000000000, 0.0061285300000000 ] - [ -0.0002590900000000, 0.0014272100000000, 0.0009251400000000 ] - [ -0.0001510900000000, 0.0010213800000000, 0.0000365300000000 ] - [ -0.0002961800000000, -0.0000872300000000, -0.0000823000000000 ] - [ -0.0002756800000000, -0.0010075400000000, 0.0004787900000000 ] - [ 0.0001252400000000, -0.0094446400000000, 0.0027739100000000 ] - [ -0.0002927100000000, 0.0000582100000000, -0.0003965300000000 ] - [ 0.0000604400000000, 0.0009964200000000, 0.0006287800000000 ] - [ 0.0003536300000000, 0.0019471600000000, 0.0005704200000000 ] - [ -0.0010819800000000, 0.0015526800000000, -0.0010354500000000 ] - [ 0.0001945600000000, 0.0000766100000000, 0.0004613200000000 ] - [ 0.0001387600000000, -0.0017824200000000, -0.0006356800000000 ] - [ -0.0008009300000000, -0.0006745200000000, -0.0014384300000000 ] - [ 0.1614234700000000, -0.2087619800000000, -0.0999930700000000 ] - [ -0.0003418700000000, -0.0006242500000000, 0.0000097900000000 ] - [ 0.0001659400000000, 0.0001149500000000, -0.0001958700000000 ] - [ 0.0007768400000000, 0.0015069000000000, -0.0009766400000000 ] - [ 0.0000111300000000, 0.0007441300000000, -0.0004316200000000 ] - [ -0.0003708900000000, 0.0011274200000000, 0.0007318500000000 ] - [ -0.0007023300000000, -0.0005798200000000, 0.0009676600000000 ] - [ -0.0001052100000000, 0.0000245800000000, 0.0000112200000000 ] - [ 0.0005714800000000, -0.0004618800000000, -0.0012869400000000 ] - [ 0.0001205100000000, -0.0000002500000000, 0.0007634100000000 ] - [ -0.0000779900000000, 0.0007196900000000, 0.0001592400000000 ] - [ -0.0002924600000000, 0.0006354300000000, -0.0006100500000000 ] - [ -0.0151692400000000, 0.0187233400000000, -0.0110187000000000 ] - [ -0.0004496100000000, -0.0005525400000000, -0.0001170800000000 ] - [ 0.0004109200000000, -0.0002692000000000, 0.0002231700000000 ] - [ -0.0005668200000000, 0.0006995600000000, -0.0004548300000000 ] - [ -0.0169919700000000, 0.0127141600000000, 0.0218884900000000 ] - [ -0.0001384900000000, -0.0005177900000000, 0.0000299000000000 ] - [ 0.0004998800000000, 0.0003520200000000, -0.0002760600000000 ] - [ -0.0009967500000000, 0.0012417800000000, -0.0007271600000000 ] - [ -0.0000147000000000, 0.0002078500000000, -0.0005805400000000 ] - [ 0.0007638600000000, 0.0010188200000000, 0.0019167500000000 ] - [ -0.0006656200000000, 0.0005320400000000, 0.0023804800000000 ] - [ 0.0001742000000000, 0.0003647400000000, 0.0002367800000000 ] - [ -0.0049468400000000, -0.0052259800000000, -0.0006085600000000 ] - [ -0.0013455700000000, -0.0013594900000000, 0.0000732800000000 ] - [ 0.0004272100000000, 0.0014401000000000, 0.0001591100000000 ] - [ -0.0000438500000000, 0.0007253000000000, -0.0003419700000000 ] - [ 0.0005819500000000, 0.0007311300000000, -0.0007467500000000 ] - [ 0.0007783800000000, 0.0004597900000000, 0.0001860900000000 ] - [ 0.0012071000000000, 0.0017867200000000, 0.0004817300000000 ] - [ 0.0001256200000000, -0.0001071500000000, 0.0002311300000000 ] - [ -0.0003578100000000, 0.0018399000000000, 0.0000902600000000 ] - [ 0.0001187600000000, 0.0005775400000000, -0.0003008300000000 ] - [ 0.0003336100000000, -0.0011542800000000, -0.0002291000000000 ] - [ -0.0010032000000000, -0.0008253100000000, 0.0008445100000000 ] - [ 0.0011255700000000, 0.0024479400000000, -0.0009629600000000 ] - [ -0.0000344600000000, 0.0001855300000000, -0.0001132300000000 ] - [ -0.0002326100000000, -0.0005062200000000, 0.0003467600000000 ] - [ -0.0024735000000000, -0.0001547100000000, -0.0049927100000000 ] - [ -0.0130444000000000, -0.0120063500000000, 0.0072076200000000 ] - [ 0.0004985100000000, -0.0013249100000000, 0.0004050300000000 ] - [ -0.0003717500000000, -0.0006662900000000, 0.0006277500000000 ] - [ -0.0020608900000000, -0.0033656200000000, 0.0008757500000000 ] - [ -0.0005537700000000, -0.0022255800000000, 0.0020205800000000 ] - [ -0.0002101200000000, -0.0017341800000000, 0.0003031600000000 ] - [ 0.0013759800000000, 0.0024599600000000, -0.0017335900000000 ] - [ 0.0007460400000000, 0.0009273400000000, -0.0002102900000000 ] - [ -0.0003244800000000, 0.0002511700000000, -0.0019124000000000 ] - [ -0.0002740700000000, -0.0002493700000000, 0.0005073100000000 ] - [ 0.0005478000000000, -0.0007699700000000, 0.0005052100000000 ] - [ 0.0005671800000000, -0.0008268900000000, -0.0022073300000000 ] - [ 0.0001183200000000, -0.0007394900000000, 0.0000874900000000 ] - [ 0.0010574200000000, -0.0020826000000000, 0.0009455900000000 ] - [ -0.0791971400000000, 0.0911169400000000, 0.0082941400000000 ] - [ 0.0000826200000000, 0.0009403300000000, 0.0005626200000000 ] - [ 0.0002443800000000, 0.0013382900000000, -0.0004314600000000 ] - [ -0.0013012400000000, 0.0009555500000000, 0.0009997000000000 ] - [ 0.0000188200000000, -0.0002783300000000, -0.0010639400000000 ] - [ 0.0011104500000000, 0.0002590900000000, -0.0004832800000000 ] - [ -0.0310580100000000, 0.0728950200000000, 0.0588894100000000 ] - [ 0.0011206300000000, 0.0009765000000000, -0.0007399800000000 ] - [ 0.0032097700000000, -0.0004396300000000, -0.0007954100000000 ] - [ -0.0026253300000000, -0.0015422000000000, -0.0015588900000000 ] - [ 0.0002494800000000, 0.0001726900000000, -0.0004933600000000 ] - [ 0.0008424500000000, -0.0016069100000000, 0.0028729800000000 ] - [ -0.0048926800000000, 0.0009718400000000, 0.0080257500000000 ] - [ 0.0006257400000000, 0.0001966400000000, -0.0000176000000000 ] - [ -0.0018325800000000, -0.0017065200000000, 0.0012255100000000 ] - [ 0.0003210000000000, -0.0008705400000000, 0.0005435800000000 ] - [ 0.0042089600000000, 0.0014811400000000, 0.0037929700000000 ] - [ -0.0004787100000000, 0.0020176700000000, 0.0001303300000000 ] - [ -0.0017125700000000, 0.0026542000000000, -0.0025869500000000 ] - [ 0.0002308100000000, 0.0023029700000000, -0.0010453300000000 ] - [ 0.0004255000000000, -0.0006474700000000, -0.0003075500000000 ] - [ 0.0000986300000000, -0.0001674900000000, 0.0004701100000000 ] - [ 0.0006342300000000, -0.0099503400000000, -0.0003708900000000 ] - [ 0.0002500400000000, -0.0019864000000000, 0.0004239900000000 ] - [ -0.0003835800000000, 0.0029581700000000, -0.0003119100000000 ] - [ 0.0049024600000000, 0.0012714100000000, 0.0043708000000000 ] - [ 0.0008529000000000, 0.0008126500000000, -0.0005006200000000 ] - [ -0.0067008200000000, 0.0053883300000000, -0.0074874200000000 ] - [ 0.0013442200000000, -0.0069869600000000, -0.0029591000000000 ] - [ -0.0000278700000000, -0.0005265300000000, 0.0001256400000000 ] - [ 0.0029552900000000, -0.0055465600000000, -0.0037680500000000 ] - [ -0.0004949300000000, -0.0003870500000000, 0.0002172600000000 ] - [ -0.0018921600000000, 0.0003693700000000, -0.0012792100000000 ] - [ 0.0040524200000000, -0.0019575200000000, -0.0027999100000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008556200000000, 0.0007571200000000, -0.0003345500000000 ] - [ -0.0036447800000000, 0.0020947100000000, -0.0002604700000000 ] - [ -0.0029161500000000, -0.0066081600000000, 0.0005643000000000 ] - [ 0.0004931800000000, -0.0004256300000000, -0.0001341500000000 ] - [ 0.0011576700000000, -0.0001532300000000, -0.0009822600000000 ] - [ -0.0000397700000000, -0.0002793900000000, -0.0000421200000000 ] - [ -0.0010282800000000, -0.0002277700000000, -0.0010459200000000 ] - [ 0.0006691700000000, 0.0001013400000000, -0.0005603200000000 ] - [ -0.0009584700000000, -0.0035403000000000, 0.0034150200000000 ] - [ 0.0009616400000000, -0.0007810800000000, -0.0001649600000000 ] - [ 0.0004871600000000, -0.0006521800000000, 0.0004785800000000 ] - [ -0.0046122100000000, -0.0014919400000000, 0.0016285100000000 ] - [ -0.0006611500000000, 0.0004554300000000, 0.0000094700000000 ] - [ -0.0007638900000000, 0.0003779900000000, 0.0007497500000000 ] - [ 0.0001783400000000, 0.0014096700000000, -0.0003192800000000 ] - [ 0.0011445400000000, 0.0006395800000000, 0.0003630100000000 ] - [ 0.0010924500000000, 0.0008003900000000, -0.0007290900000000 ] - [ 0.0000449200000000, 0.0005436800000000, -0.0012107400000000 ] - [ -0.0008565200000000, -0.0005182900000000, -0.0006649300000000 ] - [ -0.0002546500000000, -0.0002889300000000, 0.0002101000000000 ] - [ 0.0014102700000000, -0.0010021600000000, 0.0001969400000000 ] - [ -0.0016110900000000, -0.0006124300000000, 0.0000751700000000 ] - [ -0.0044570900000000, -0.0000594300000000, 0.0000686000000000 ] - [ 0.0019613200000000, -0.0006078900000000, 0.0002396100000000 ] - [ -0.0002014100000000, -0.0318777000000000, -0.0163142600000000 ] - [ 0.0004517800000000, 0.0002490100000000, -0.0006128600000000 ] - [ 0.0007980500000000, -0.0005112200000000, 0.0001663400000000 ] - [ -0.0010472000000000, -0.0016538000000000, 0.0001660100000000 ] - [ -0.0005531700000000, -0.0011035800000000, 0.0006630000000000 ] - [ 0.0001937000000000, -0.0008087900000000, 0.0002660600000000 ] - [ 0.0007026400000000, 0.0010624300000000, -0.0016030500000000 ] - [ -0.0003500300000000, 0.0006674100000000, -0.0002812900000000 ] - [ -0.0007063900000000, 0.0002939300000000, -0.0004685000000000 ] - [ -0.0004641200000000, 0.0004470100000000, 0.0007926000000000 ] - [ -0.0001539300000000, 0.0003028200000000, -0.0000751100000000 ] - [ 0.0128014500000000, -0.0028468200000000, -0.0068185200000000 ] - [ 0.0007915800000000, -0.0005829300000000, -0.0003102200000000 ] - [ 0.0006761400000000, -0.0001727400000000, 0.0005823200000000 ] - [ -0.0002242600000000, 0.0009359900000000, -0.0005268700000000 ] - [ -0.0002515300000000, 0.0018549100000000, -0.0010998400000000 ] - [ -0.0003960700000000, 0.0104666300000000, -0.0035245600000000 ] - [ 0.0000353300000000, 0.0009278800000000, -0.0005725500000000 ] - [ 0.0001978000000000, -0.0000097300000000, 0.0003408900000000 ] - [ -0.0000926500000000, -0.0009591400000000, 0.0004049800000000 ] - [ 0.0013297200000000, -0.0025372200000000, 0.0019962300000000 ] - [ 0.0000656200000000, -0.0010647700000000, 0.0005100900000000 ] - [ -0.0003996700000000, 0.0008005900000000, -0.0003390900000000 ] - [ 0.0005436600000000, -0.0003092900000000, 0.0004695000000000 ] - [ -0.1586450700000000, 0.2068734000000000, 0.1025699300000000 ] - [ 0.0001438400000000, -0.0000850500000000, 0.0001452300000000 ] - [ 0.0000320300000000, -0.0008251600000000, 0.0000425000000000 ] - [ -0.0005737500000000, -0.0022166900000000, 0.0008249700000000 ] - [ 0.0001904200000000, -0.0000384300000000, 0.0002752600000000 ] - [ 0.0005718400000000, -0.0004201800000000, -0.0008855300000000 ] - [ 0.0005019400000000, 0.0012917000000000, -0.0008148000000000 ] - [ -0.0000926400000000, 0.0006869500000000, 0.0001423700000000 ] - [ -0.0002001800000000, 0.0011090400000000, 0.0018530700000000 ] - [ 0.0002492300000000, 0.0006588800000000, -0.0001942700000000 ] - [ -0.0002934200000000, -0.0000566400000000, -0.0007271300000000 ] - [ -0.0000749300000000, 0.0000256400000000, 0.0000432400000000 ] - [ 0.0145253700000000, -0.0191039900000000, 0.0102609100000000 ] - [ 0.0000814300000000, -0.0001087700000000, -0.0004503900000000 ] - [ -0.0000451100000000, -0.0003847300000000, 0.0003462100000000 ] - [ 0.0009399400000000, -0.0013572100000000, 0.0010273500000000 ] - [ 0.0166935600000000, -0.0131370200000000, -0.0211069200000000 ] - [ 0.0000785300000000, 0.0000493700000000, 0.0004878800000000 ] - [ -0.0004409800000000, -0.0008176700000000, -0.0002410300000000 ] - [ 0.0010683300000000, -0.0017076000000000, 0.0002122100000000 ] - [ 0.0000777000000000, 0.0002556800000000, 0.0000638000000000 ] - [ -0.0006994900000000, -0.0005548600000000, -0.0024323400000000 ] - [ 0.0006078800000000, -0.0000558200000000, -0.0018724200000000 ] - [ -0.0002359100000000, 0.0001036200000000, 0.0002796700000000 ] - [ 0.0039994000000000, 0.0049584900000000, 0.0009430400000000 ] - [ 0.0002687600000000, 0.0011750300000000, 0.0002476700000000 ] - [ 0.0006421200000000, -0.0016216700000000, -0.0004755400000000 ] - [ 0.0011253700000000, -0.0009107300000000, 0.0000239100000000 ] - [ 0.0004937800000000, -0.0005508700000000, 0.0004259400000000 ] - [ 0.0002993200000000, -0.0002767100000000, -0.0005043200000000 ] - [ -0.0006792200000000, -0.0026349500000000, 0.0001437600000000 ] - [ 0.0004022600000000, -0.0007424800000000, 0.0003891700000000 ] - [ 0.0005361500000000, -0.0015714500000000, -0.0004574900000000 ] - [ 0.0000625100000000, -0.0003120600000000, -0.0000677600000000 ] - [ -0.0005090200000000, 0.0014233600000000, 0.0006006900000000 ] - [ 0.0008226700000000, 0.0010921300000000, -0.0004767600000000 ] - [ -0.0009408600000000, -0.0027175100000000, 0.0005903200000000 ] - [ 0.0002155500000000, -0.0004528700000000, -0.0002552300000000 ] - [ 0.0000530100000000, 0.0002418600000000, 0.0000216600000000 ] - [ 0.0022952600000000, -0.0000872000000000, 0.0053862500000000 ] - [ 0.0116915800000000, 0.0103969700000000, -0.0063391200000000 ] - [ -0.0019222500000000, -0.0003253900000000, 0.0004974600000000 ] - [ -0.0011006000000000, 0.0012873700000000, 0.0007798500000000 ] - [ 0.0005857200000000, 0.0039806300000000, 0.0005259500000000 ] - [ -0.0009165100000000, 0.0016078200000000, -0.0006058200000000 ] - [ -0.0012660000000000, 0.0011189600000000, 0.0011043000000000 ] - [ 0.0000969700000000, -0.0030747300000000, 0.0003270900000000 ] - [ 0.0007183400000000, -0.0015478500000000, -0.0011977900000000 ] - [ -0.0006617400000000, -0.0008592000000000, 0.0025389300000000 ] - [ -0.0007190400000000, -0.0003509000000000, 0.0001139700000000 ] - [ 0.0004433000000000, 0.0001813600000000, -0.0011264200000000 ] - [ 0.0004227200000000, 0.0002317000000000, 0.0015834900000000 ] - [ 0.0008800100000000, 0.0013338500000000, -0.0007100100000000 ] - [ -0.0000763600000000, 0.0026810800000000, -0.0015728900000000 ] - [ 0.0739622800000000, -0.0882955600000000, -0.0072553700000000 ] - [ -0.0010756800000000, -0.0003419500000000, 0.0000577800000000 ] - [ -0.0016562600000000, 0.0003178500000000, 0.0013276800000000 ] - [ -0.0001215000000000, 0.0006958200000000, -0.0000979100000000 ] - [ 0.0014056600000000, 0.0019213000000000, 0.0001655800000000 ] - [ 0.0003089900000000, 0.0013874100000000, -0.0004208900000000 ] - [ 0.0341405800000000, -0.0731923400000000, -0.0630631100000000 ] - [ 0.0003444400000000, -0.0003602900000000, -0.0006691600000000 ] - [ -0.0017923000000000, -0.0011893500000000, -0.0001002700000000 ] - [ 0.0040254100000000, -0.0000913500000000, 0.0006525300000000 ] - [ 0.0000243800000000, 0.0002845200000000, 0.0003456600000000 ] - [ -0.0005753400000000, 0.0020625000000000, -0.0030312900000000 ] - [ 0.0045931300000000, -0.0004636700000000, -0.0078318400000000 ] - [ -0.0009035000000000, 0.0002692900000000, 0.0001623100000000 ] - [ 0.0015672700000000, 0.0012389000000000, -0.0010854500000000 ] - [ -0.0005986600000000, 0.0004050500000000, -0.0003977200000000 ] - [ -0.0039225800000000, -0.0019057400000000, -0.0039567300000000 ] - [ 0.0007554200000000, -0.0024778100000000, -0.0002750000000000 ] - [ 0.0013629200000000, -0.0007773400000000, 0.0018320700000000 ] - [ -0.0005508400000000, -0.0004082300000000, 0.0003305900000000 ] - [ -0.0001047700000000, 0.0025466500000000, 0.0010258000000000 ] - [ 0.0002184100000000, 0.0020655000000000, 0.0002421900000000 ] - [ -0.0003008300000000, 0.0080404000000000, 0.0010736300000000 ] - [ 0.0000659800000000, 0.0000924400000000, 0.0002903600000000 ] - [ 0.0000493000000000, -0.0048905100000000, -0.0003836300000000 ] - [ -0.0052337600000000, -0.0031785200000000, -0.0050900700000000 ] - [ -0.0004332700000000, -0.0005437700000000, 0.0001450100000000 ] - [ 0.0071142600000000, -0.0050793500000000, 0.0071482600000000 ] - [ -0.0017865200000000, 0.0072755400000000, 0.0033362700000000 ] - [ -0.0003948600000000, 0.0007909400000000, 0.0002266300000000 ] - [ -0.0033726000000000, 0.0052797700000000, 0.0041188200000000 ] - [ 0.0000691300000000, 0.0001252000000000, 0.0001361600000000 ] - [ 0.0023212800000000, -0.0006473500000000, 0.0009296000000000 ] - [ -0.0036286700000000, 0.0016836500000000, 0.0024459300000000 ]- atom: 49 displacement: [ -0.0050436217710434, 0.0000000000000000, 0.0086349220859633 ] forces: - [ -0.0022214400000000, 0.0000673100000000, 0.0011192200000000 ] - [ 0.0031104400000000, -0.0006647700000000, -0.0029639400000000 ] - [ 0.0023224000000000, 0.0027075500000000, -0.0012368800000000 ] - [ -0.0003742900000000, 0.0003613500000000, 0.0001230300000000 ] - [ -0.0018847200000000, -0.0004346600000000, 0.0020569200000000 ] - [ 0.0007955200000000, 0.0002349800000000, -0.0003001200000000 ] - [ 0.0013090000000000, 0.0014209800000000, 0.0001882100000000 ] - [ -0.0015305100000000, -0.0002203500000000, 0.0013780400000000 ] - [ 0.0013039800000000, -0.0013361800000000, -0.0022725100000000 ] - [ 0.0001764400000000, -0.0004846900000000, -0.0004232600000000 ] - [ -0.0018683700000000, -0.0002612200000000, -0.0004167200000000 ] - [ -0.0031671800000000, -0.0036869300000000, -0.0015759100000000 ] - [ -0.0004473100000000, 0.0008814600000000, 0.0007432200000000 ] - [ -0.0005653000000000, 0.0005622900000000, 0.0010248200000000 ] - [ -0.0006776600000000, -0.0004536600000000, 0.0019039900000000 ] - [ 0.0007003800000000, 0.0007382300000000, -0.0006177800000000 ] - [ -0.0005430000000000, -0.0011750500000000, 0.0024197600000000 ] - [ 0.0023015500000000, 0.0001762200000000, 0.0019388100000000 ] - [ -0.0004290900000000, 0.0006006500000000, 0.0008499100000000 ] - [ -0.0008290800000000, 0.0003892000000000, 0.0005167700000000 ] - [ -0.0023991000000000, 0.0013485200000000, -0.0010834100000000 ] - [ -0.0005901400000000, -0.0001649700000000, -0.0007658500000000 ] - [ 0.0022057200000000, -0.0020055900000000, -0.0020948000000000 ] - [ -0.0011920900000000, 0.0006501200000000, -0.0009513700000000 ] - [ 0.0044203900000000, 0.0144297000000000, -0.0006098100000000 ] - [ -0.0008319600000000, -0.0004586300000000, -0.0002146800000000 ] - [ -0.0010530200000000, 0.0005247100000000, 0.0010140300000000 ] - [ 0.0018557500000000, 0.0008851800000000, -0.0007124700000000 ] - [ 0.0006348800000000, 0.0007855300000000, 0.0001951500000000 ] - [ -0.0005498200000000, 0.0005922400000000, 0.0011563800000000 ] - [ -0.0020833600000000, -0.0000865500000000, 0.0019608200000000 ] - [ 0.0009402400000000, -0.0005292900000000, -0.0008748200000000 ] - [ -0.0011378300000000, 0.0011914900000000, 0.0018890400000000 ] - [ -0.0001579500000000, -0.0003150800000000, 0.0006053900000000 ] - [ -0.0013207700000000, -0.0011329600000000, -0.0010973100000000 ] - [ -0.0172453200000000, 0.0100977500000000, 0.0043958000000000 ] - [ -0.0002807400000000, 0.0008092700000000, 0.0010390500000000 ] - [ 0.0004756600000000, 0.0006632000000000, 0.0002390900000000 ] - [ 0.0009609700000000, 0.0000247000000000, 0.0018556300000000 ] - [ -0.0009164600000000, -0.0008792200000000, 0.0026014400000000 ] - [ 0.0015332600000000, 0.0018231000000000, 0.0401857500000000 ] - [ -0.0004183300000000, 0.0003338000000000, -0.0001289800000000 ] - [ -0.0000735100000000, 0.0008099900000000, 0.0008675100000000 ] - [ 0.0006860200000000, 0.0009653200000000, 0.0004938500000000 ] - [ 0.0002229700000000, 0.0003085600000000, -0.0002711400000000 ] - [ -0.0003821800000000, -0.0007758500000000, 0.0009292600000000 ] - [ -0.0012407500000000, -0.0020700200000000, 0.0010371400000000 ] - [ -0.0002325000000000, -0.0002487200000000, -0.0014933600000000 ] - [ 0.1843327300000000, -0.1663559500000000, -0.2136596100000000 ] - [ -0.0009442800000000, -0.0002907400000000, 0.0002796500000000 ] - [ -0.0002255600000000, -0.0002180700000000, -0.0000352300000000 ] - [ 0.0010272600000000, 0.0007603600000000, -0.0012394000000000 ] - [ 0.0006324400000000, 0.0000951700000000, -0.0002580500000000 ] - [ -0.0008143500000000, 0.0012907700000000, 0.0014531600000000 ] - [ -0.0016314700000000, -0.0007188400000000, 0.0021565300000000 ] - [ 0.0005562500000000, 0.0004077800000000, -0.0001871900000000 ] - [ 0.0022829300000000, -0.0014058500000000, 0.0000956800000000 ] - [ -0.0006048200000000, 0.0000273800000000, 0.0017249400000000 ] - [ -0.0009012200000000, 0.0008033200000000, 0.0009155400000000 ] - [ 0.0002636100000000, 0.0003872800000000, -0.0004872400000000 ] - [ 0.0036105400000000, -0.0000968500000000, -0.0077484900000000 ] - [ -0.0009748900000000, -0.0005932200000000, -0.0000136700000000 ] - [ -0.0003792300000000, -0.0008333600000000, 0.0005120900000000 ] - [ 0.0006260500000000, 0.0000609600000000, -0.0010356700000000 ] - [ -0.0219858400000000, 0.0316919400000000, 0.0276806900000000 ] - [ -0.0002900400000000, -0.0004986700000000, 0.0001395500000000 ] - [ -0.0000572300000000, -0.0001585500000000, -0.0006100500000000 ] - [ -0.0002832700000000, 0.0013159300000000, -0.0010421600000000 ] - [ 0.0001654500000000, 0.0001394000000000, 0.0002415800000000 ] - [ 0.0006182700000000, 0.0020389800000000, 0.0034072500000000 ] - [ -0.0004928800000000, 0.0013825500000000, 0.0021043700000000 ] - [ 0.0001459300000000, 0.0001703000000000, 0.0002370900000000 ] - [ -0.0139873200000000, 0.0039624800000000, -0.0081352300000000 ] - [ -0.0020098400000000, -0.0009265700000000, -0.0004500200000000 ] - [ 0.0004509500000000, 0.0003005400000000, -0.0004912200000000 ] - [ 0.0003401200000000, 0.0002234000000000, -0.0005109300000000 ] - [ 0.0006828300000000, -0.0004512000000000, 0.0008034100000000 ] - [ 0.0008971400000000, 0.0004636300000000, 0.0005500500000000 ] - [ 0.0014084000000000, 0.0015307400000000, -0.0005842800000000 ] - [ -0.0001472000000000, -0.0003074300000000, 0.0002887400000000 ] - [ -0.0007834700000000, 0.0019084300000000, 0.0004326100000000 ] - [ 0.0002994500000000, 0.0003131300000000, -0.0003308300000000 ] - [ 0.0014395500000000, -0.0005437900000000, -0.0011157500000000 ] - [ -0.0015767100000000, -0.0003880200000000, 0.0013006200000000 ] - [ 0.0009480900000000, -0.0002616400000000, -0.0010015400000000 ] - [ -0.0001760800000000, 0.0000889900000000, -0.0000308200000000 ] - [ -0.0008261000000000, -0.0003602000000000, 0.0008172000000000 ] - [ 0.0046418800000000, -0.0039914900000000, 0.0013835300000000 ] - [ -0.0083445100000000, -0.0020612900000000, 0.0077981500000000 ] - [ 0.0009388800000000, -0.0013656900000000, 0.0002997500000000 ] - [ 0.0000746400000000, -0.0004078600000000, 0.0002584800000000 ] - [ -0.0027400100000000, -0.0016886000000000, 0.0015906800000000 ] - [ -0.0012996200000000, -0.0010438200000000, 0.0016196500000000 ] - [ 0.0002201700000000, -0.0010536100000000, -0.0006094600000000 ] - [ 0.0034038500000000, 0.0016661800000000, -0.0047270100000000 ] - [ -0.0009050000000000, 0.0003178700000000, -0.0001828600000000 ] - [ 0.0012170900000000, -0.0007007800000000, -0.0027395800000000 ] - [ -0.0013655800000000, -0.0001713300000000, 0.0002918600000000 ] - [ -0.0001555100000000, 0.0003802000000000, -0.0010125100000000 ] - [ 0.0008347800000000, -0.0010243600000000, -0.0037307000000000 ] - [ 0.0009167800000000, 0.0001573400000000, 0.0000479300000000 ] - [ 0.0003584700000000, -0.0011146000000000, 0.0015208100000000 ] - [ -0.0689789100000000, 0.0429123300000000, 0.0335922700000000 ] - [ 0.0010133100000000, 0.0007561300000000, 0.0004510900000000 ] - [ 0.0020886500000000, 0.0017488800000000, -0.0036022300000000 ] - [ -0.0026954100000000, 0.0003384800000000, 0.0010067200000000 ] - [ -0.0000091800000000, -0.0004188700000000, -0.0010317700000000 ] - [ 0.0012535600000000, 0.0004809200000000, -0.0017458500000000 ] - [ -0.0674592700000000, 0.0694142200000000, 0.1306768600000000 ] - [ 0.0021532400000000, 0.0007422300000000, -0.0010214700000000 ] - [ 0.0039409200000000, -0.0016305200000000, -0.0009708100000000 ] - [ -0.0006095700000000, -0.0004028200000000, 0.0046502700000000 ] - [ 0.0008057000000000, -0.0000418600000000, -0.0013463200000000 ] - [ -0.0007798200000000, 0.0019438400000000, -0.0000572200000000 ] - [ -0.0022869400000000, 0.0104311500000000, -0.0006022500000000 ] - [ 0.0008288100000000, 0.0000017900000000, -0.0002503200000000 ] - [ 0.0002634700000000, 0.0001640400000000, -0.0003994700000000 ] - [ -0.0003687600000000, -0.0007398500000000, 0.0005155200000000 ] - [ -0.0004575500000000, -0.0013257300000000, 0.0053355100000000 ] - [ 0.0034171600000000, 0.0016131700000000, -0.0013886000000000 ] - [ -0.0066508500000000, -0.0006983700000000, -0.0090195100000000 ] - [ 0.0005334400000000, 0.0019565700000000, -0.0028696900000000 ] - [ 0.0012282400000000, 0.0003082100000000, -0.0012398400000000 ] - [ -0.0004779400000000, 0.0002930600000000, 0.0002118300000000 ] - [ -0.0007277000000000, -0.0037256500000000, 0.0027822900000000 ] - [ 0.0008578700000000, -0.0011874500000000, 0.0004866500000000 ] - [ 0.0043764600000000, 0.0031046100000000, -0.0015030800000000 ] - [ 0.0024789600000000, -0.0004167400000000, 0.0082443900000000 ] - [ 0.0015714100000000, 0.0006892000000000, -0.0020900300000000 ] - [ -0.0126291800000000, -0.0018269100000000, -0.0134516200000000 ] - [ -0.0001469700000000, -0.0032774100000000, -0.0008235400000000 ] - [ 0.0002227200000000, -0.0001001800000000, 0.0000820700000000 ] - [ 0.0052229600000000, -0.0076927100000000, -0.0051406200000000 ] - [ -0.0007262300000000, -0.0001057600000000, 0.0004239500000000 ] - [ -0.0013212700000000, 0.0002962800000000, 0.0014088300000000 ] - [ 0.0053243600000000, -0.0034559400000000, -0.0039190000000000 ]- atom: 49 displacement: [ 0.0050436217710434, 0.0000000000000000, -0.0086349220859633 ] forces: - [ 0.0019222300000000, 0.0000146200000000, -0.0010179200000000 ] - [ -0.0034674300000000, 0.0007465300000000, 0.0030655200000000 ] - [ -0.0020170700000000, -0.0026391700000000, 0.0011228400000000 ] - [ 0.0006952800000000, -0.0002811300000000, -0.0002418100000000 ] - [ 0.0021983300000000, 0.0003545300000000, -0.0021773700000000 ] - [ -0.0004785500000000, -0.0003180800000000, 0.0001832400000000 ] - [ -0.0016358300000000, -0.0015166500000000, -0.0000647900000000 ] - [ 0.0012229400000000, 0.0001355800000000, -0.0012658500000000 ] - [ -0.0001005600000000, 0.0000440800000000, 0.0016767100000000 ] - [ 0.0010355200000000, -0.0008073800000000, -0.0001698800000000 ] - [ 0.0006751200000000, -0.0010345400000000, 0.0010142500000000 ] - [ 0.0019497400000000, 0.0024177700000000, 0.0021905800000000 ] - [ -0.0007618300000000, 0.0004064200000000, -0.0001468600000000 ] - [ -0.0006435600000000, 0.0007266400000000, -0.0004325500000000 ] - [ 0.0018857800000000, 0.0017558500000000, -0.0024988300000000 ] - [ 0.0005191300000000, 0.0005531100000000, 0.0000359500000000 ] - [ 0.0017231200000000, 0.0014665700000000, -0.0028839800000000 ] - [ -0.0011122100000000, 0.0001077600000000, -0.0023780600000000 ] - [ -0.0007524500000000, -0.0003218800000000, -0.0003998100000000 ] - [ -0.0003462600000000, -0.0001091000000000, -0.0000672300000000 ] - [ 0.0012271900000000, -0.0016390800000000, 0.0015105600000000 ] - [ -0.0005934600000000, -0.0001205700000000, 0.0012187800000000 ] - [ -0.0010332000000000, 0.0017367500000000, 0.0016488600000000 ] - [ 0.0023856000000000, -0.0009397000000000, 0.0005085000000000 ] - [ -0.0044970300000000, -0.0145927800000000, -0.0003268400000000 ] - [ 0.0008440100000000, 0.0003697300000000, -0.0007611200000000 ] - [ 0.0010556500000000, -0.0006210700000000, -0.0000433400000000 ] - [ -0.0018648500000000, -0.0009828000000000, 0.0016836400000000 ] - [ -0.0006437300000000, -0.0007018300000000, 0.0007857600000000 ] - [ 0.0005464100000000, -0.0005049200000000, -0.0001829400000000 ] - [ 0.0020879500000000, 0.0001791800000000, -0.0029381200000000 ] - [ -0.0009385400000000, 0.0006265600000000, -0.0000983300000000 ] - [ 0.0000608400000000, -0.0010161600000000, -0.0015800400000000 ] - [ -0.0009181500000000, 0.0004985400000000, -0.0002862000000000 ] - [ 0.0008058800000000, 0.0002900700000000, 0.0004837000000000 ] - [ 0.0170125700000000, -0.0111227600000000, -0.0051277000000000 ] - [ 0.0008047100000000, 0.0000380000000000, -0.0004181000000000 ] - [ 0.0000575800000000, 0.0001815800000000, 0.0003862800000000 ] - [ -0.0014968000000000, 0.0008279900000000, -0.0024922400000000 ] - [ 0.0003872700000000, 0.0017266600000000, -0.0032196700000000 ] - [ -0.0018660700000000, -0.0008581500000000, -0.0419476200000000 ] - [ 0.0001652900000000, 0.0006537400000000, -0.0008369500000000 ] - [ 0.0003322500000000, 0.0001743500000000, 0.0001004400000000 ] - [ -0.0004289800000000, 0.0000173700000000, 0.0004753000000000 ] - [ 0.0000491700000000, -0.0013135000000000, 0.0012604300000000 ] - [ 0.0006411300000000, -0.0002103500000000, 0.0000439100000000 ] - [ 0.0009745700000000, 0.0010826300000000, -0.0020176800000000 ] - [ -0.0000231800000000, -0.0007401200000000, 0.0005323300000000 ] - [ -0.1866819400000000, 0.1700528200000000, 0.2218896800000000 ] - [ 0.0007510500000000, -0.0004188500000000, -0.0001251400000000 ] - [ 0.0004287900000000, -0.0004917300000000, -0.0001194500000000 ] - [ -0.0008341800000000, -0.0014767900000000, 0.0010882900000000 ] - [ -0.0004349200000000, 0.0006152400000000, 0.0001106200000000 ] - [ 0.0010146600000000, -0.0005812400000000, -0.0016060700000000 ] - [ 0.0014342600000000, 0.0014279700000000, -0.0020081300000000 ] - [ -0.0007583500000000, 0.0003010800000000, 0.0003454200000000 ] - [ -0.0019290700000000, 0.0020800700000000, 0.0004906900000000 ] - [ 0.0009769100000000, 0.0006341200000000, -0.0011544700000000 ] - [ 0.0005341500000000, -0.0001483700000000, -0.0014897100000000 ] - [ -0.0006326200000000, 0.0002705300000000, -0.0000786800000000 ] - [ -0.0038519500000000, -0.0007771900000000, 0.0072675700000000 ] - [ 0.0006107100000000, -0.0000638800000000, -0.0005545700000000 ] - [ 0.0007519300000000, 0.0001768900000000, 0.0000517600000000 ] - [ -0.0002594900000000, -0.0007275100000000, 0.0016110600000000 ] - [ 0.0216127700000000, -0.0316626400000000, -0.0268245700000000 ] - [ 0.0002294800000000, 0.0000346500000000, 0.0003787000000000 ] - [ 0.0001222100000000, -0.0003088700000000, 0.0000967100000000 ] - [ 0.0003397400000000, -0.0017947200000000, 0.0005299900000000 ] - [ -0.0001054500000000, 0.0003292300000000, -0.0007557200000000 ] - [ -0.0005598400000000, -0.0015662800000000, -0.0039217800000000 ] - [ 0.0004255700000000, -0.0009265900000000, -0.0015911000000000 ] - [ -0.0002056900000000, 0.0002962500000000, 0.0002833800000000 ] - [ 0.0130147800000000, -0.0041465700000000, 0.0083773700000000 ] - [ 0.0009425200000000, 0.0007509700000000, 0.0007741400000000 ] - [ 0.0006331400000000, -0.0004930400000000, 0.0001638800000000 ] - [ 0.0007387500000000, -0.0004118100000000, 0.0001930600000000 ] - [ 0.0003907200000000, 0.0006351600000000, -0.0011182500000000 ] - [ 0.0001841600000000, -0.0002782500000000, -0.0008668400000000 ] - [ -0.0008840700000000, -0.0023800900000000, 0.0011907000000000 ] - [ 0.0006772500000000, -0.0005421500000000, 0.0003317100000000 ] - [ 0.0009630400000000, -0.0016364800000000, -0.0008033100000000 ] - [ -0.0001190200000000, -0.0000486900000000, -0.0000364000000000 ] - [ -0.0016307300000000, 0.0008191400000000, 0.0014986600000000 ] - [ 0.0014047700000000, 0.0006593400000000, -0.0009369900000000 ] - [ -0.0007821900000000, -0.0000166500000000, 0.0006446700000000 ] - [ 0.0003591700000000, -0.0003561900000000, -0.0003373200000000 ] - [ 0.0006505800000000, 0.0000955600000000, -0.0004534500000000 ] - [ -0.0048099700000000, 0.0037212900000000, -0.0010260800000000 ] - [ 0.0069460900000000, 0.0004054800000000, -0.0069009500000000 ] - [ -0.0023738800000000, -0.0002779200000000, 0.0006038800000000 ] - [ -0.0015525200000000, 0.0010305500000000, 0.0011540600000000 ] - [ 0.0012737200000000, 0.0023172800000000, -0.0001789600000000 ] - [ -0.0001768000000000, 0.0004383400000000, -0.0002309700000000 ] - [ -0.0016907900000000, 0.0004391000000000, 0.0020170900000000 ] - [ -0.0019289900000000, -0.0022819100000000, 0.0033290200000000 ] - [ 0.0023856400000000, -0.0009406800000000, -0.0012294200000000 ] - [ -0.0022136300000000, 0.0001139600000000, 0.0033751800000000 ] - [ 0.0003736200000000, -0.0004235100000000, 0.0003265100000000 ] - [ 0.0011516700000000, -0.0009785400000000, 0.0003841600000000 ] - [ 0.0001518700000000, 0.0004245300000000, 0.0031064000000000 ] - [ 0.0000664500000000, 0.0004416200000000, -0.0006701400000000 ] - [ 0.0006358100000000, 0.0017248600000000, -0.0021491100000000 ] - [ 0.0662584800000000, -0.0406044600000000, -0.0334213000000000 ] - [ -0.0020149700000000, -0.0001628000000000, 0.0001695300000000 ] - [ -0.0035160100000000, -0.0001095000000000, 0.0045136700000000 ] - [ 0.0012677600000000, 0.0013040300000000, -0.0001123600000000 ] - [ 0.0014356800000000, 0.0020778600000000, 0.0001283300000000 ] - [ 0.0001625600000000, 0.0011730400000000, 0.0008496200000000 ] - [ 0.0728231200000000, -0.0749014900000000, -0.1392284900000000 ] - [ -0.0006975900000000, -0.0001258800000000, -0.0003873300000000 ] - [ -0.0025432400000000, -0.0000062000000000, 0.0000817300000000 ] - [ 0.0020532500000000, -0.0012313700000000, -0.0055604500000000 ] - [ -0.0005342600000000, 0.0005082500000000, 0.0012089800000000 ] - [ 0.0010578700000000, -0.0014786600000000, -0.0000893100000000 ] - [ 0.0020769600000000, -0.0100386100000000, 0.0006820900000000 ] - [ -0.0011174100000000, 0.0004616400000000, 0.0003923900000000 ] - [ -0.0005368500000000, -0.0006241500000000, 0.0005594200000000 ] - [ 0.0000927800000000, 0.0002823900000000, -0.0003712000000000 ] - [ 0.0006877300000000, 0.0008636300000000, -0.0055521700000000 ] - [ -0.0031513700000000, -0.0020971600000000, 0.0012390800000000 ] - [ 0.0063764200000000, 0.0026022200000000, 0.0083518300000000 ] - [ -0.0008620900000000, -0.0000626300000000, 0.0021543300000000 ] - [ -0.0009054200000000, 0.0015896900000000, 0.0019569400000000 ] - [ 0.0007938700000000, 0.0016054000000000, 0.0005020300000000 ] - [ 0.0010376300000000, 0.0018928000000000, -0.0020415100000000 ] - [ -0.0005423300000000, -0.0007053500000000, 0.0002265000000000 ] - [ -0.0047159800000000, -0.0050394800000000, 0.0008258500000000 ] - [ -0.0028285600000000, -0.0014925000000000, -0.0090228400000000 ] - [ -0.0011552100000000, -0.0004291600000000, 0.0017525200000000 ] - [ 0.0130224800000000, 0.0020933200000000, 0.0131422400000000 ] - [ -0.0002605800000000, 0.0035587300000000, 0.0011697400000000 ] - [ -0.0006538700000000, 0.0003685300000000, 0.0002694400000000 ] - [ -0.0056385000000000, 0.0074197700000000, 0.0055154200000000 ] - [ 0.0003042700000000, -0.0001603300000000, -0.0000709000000000 ] - [ 0.0017464800000000, -0.0005685400000000, -0.0017771800000000 ] - [ -0.0049285200000000, 0.0032172500000000, 0.0035907900000000 ]- atom: 57 displacement: [ 0.0099999999206514, 0.0000000000000000, 0.0000012597509720 ] forces: - [ 0.0001849300000000, 0.0005989700000000, -0.0020002900000000 ] - [ 0.0000104100000000, -0.0003271000000000, 0.0013210200000000 ] - [ -0.0008915200000000, -0.0000697900000000, 0.0003256500000000 ] - [ 0.0007075900000000, 0.0000299100000000, -0.0002938200000000 ] - [ 0.0022437300000000, 0.0006054700000000, -0.0021719500000000 ] - [ 0.0008081100000000, -0.0008601200000000, 0.0016684700000000 ] - [ -0.0028519000000000, -0.0016562400000000, 0.0012925100000000 ] - [ 0.0005566800000000, 0.0001038100000000, -0.0000899500000000 ] - [ 0.0005018000000000, -0.0006541900000000, -0.0001795400000000 ] - [ 0.0004529800000000, -0.0006493900000000, -0.0005056600000000 ] - [ 0.0052569400000000, -0.0032808700000000, -0.0050096200000000 ] - [ 0.0032175100000000, -0.0010914500000000, 0.0051397400000000 ] - [ -0.0016314800000000, 0.0003491600000000, 0.0002806800000000 ] - [ -0.0000990800000000, 0.0006639400000000, 0.0003362100000000 ] - [ 0.0041970600000000, 0.0001897400000000, -0.0007955300000000 ] - [ 0.0088125900000000, 0.0002551500000000, 0.0020344800000000 ] - [ 0.0071774900000000, -0.0027303500000000, -0.0092922400000000 ] - [ 0.0026630200000000, 0.0009299300000000, 0.0011265500000000 ] - [ -0.0024996800000000, 0.0020687600000000, 0.0003674200000000 ] - [ 0.0003588600000000, -0.0002245500000000, 0.0003381900000000 ] - [ -0.0017574000000000, -0.0005491300000000, -0.0014639500000000 ] - [ 0.0004651100000000, 0.0002672000000000, 0.0012656600000000 ] - [ -0.0003831700000000, 0.0004873900000000, -0.0006531200000000 ] - [ 0.0012049300000000, -0.0003117300000000, 0.0000056300000000 ] - [ -0.0008315000000000, -0.0012710200000000, 0.0005718300000000 ] - [ 0.0006207500000000, 0.0003533500000000, -0.0007875400000000 ] - [ 0.0003043100000000, -0.0006495000000000, -0.0009982800000000 ] - [ -0.0001457300000000, 0.0002360300000000, 0.0013389200000000 ] - [ -0.0014691300000000, -0.0030680200000000, 0.0004404200000000 ] - [ 0.0009682500000000, 0.0005525600000000, 0.0003122800000000 ] - [ 0.0024202500000000, -0.0008490700000000, -0.0017868800000000 ] - [ 0.0000971000000000, 0.0013993200000000, 0.0016294000000000 ] - [ -0.0001951100000000, -0.0010860500000000, -0.0007970500000000 ] - [ 0.0000517200000000, 0.0002232000000000, 0.0004382800000000 ] - [ 0.0003008000000000, 0.0002549800000000, -0.0011396200000000 ] - [ 0.0011243400000000, -0.0012048600000000, 0.0010526500000000 ] - [ 0.0019820300000000, 0.0012124700000000, 0.0008857700000000 ] - [ 0.0018829000000000, -0.0008811100000000, 0.0003910000000000 ] - [ -0.0028562000000000, 0.0010560100000000, -0.0004636900000000 ] - [ 0.0007728400000000, 0.0003346800000000, -0.0001963900000000 ] - [ 0.0028817000000000, -0.0071712600000000, 0.0052508300000000 ] - [ 0.0008957400000000, 0.0012686800000000, -0.0005211700000000 ] - [ -0.0007212200000000, 0.0005728000000000, -0.0012227300000000 ] - [ 0.0005398500000000, 0.0004380000000000, 0.0012396900000000 ] - [ -0.0005897500000000, -0.0059614400000000, -0.0024943100000000 ] - [ 0.0011791400000000, -0.0002953100000000, 0.0009928900000000 ] - [ -0.0001674100000000, -0.0006292500000000, -0.0014793000000000 ] - [ -0.0001312500000000, -0.0001693300000000, 0.0003380000000000 ] - [ -0.0015296000000000, 0.0000304800000000, 0.0016793100000000 ] - [ 0.0005651300000000, -0.0004177200000000, -0.0004445000000000 ] - [ 0.0002486300000000, -0.0004633300000000, -0.0008175400000000 ] - [ 0.0001708200000000, -0.0002446000000000, 0.0004828400000000 ] - [ 0.0003537300000000, -0.0144849500000000, 0.0043522000000000 ] - [ 0.0013784300000000, 0.0000902300000000, -0.0002476100000000 ] - [ 0.0005447900000000, 0.0001251900000000, -0.0001995200000000 ] - [ -0.0000309800000000, 0.0011085900000000, 0.0006254900000000 ] - [ -0.0912882800000000, -0.0269220800000000, 0.0447685100000000 ] - [ 0.0017232300000000, 0.0004017700000000, 0.0001968200000000 ] - [ 0.0002125300000000, 0.0009319500000000, -0.0009330600000000 ] - [ 0.0000157000000000, 0.0002482500000000, 0.0001805000000000 ] - [ -0.0058348400000000, -0.0008503500000000, 0.0026220900000000 ] - [ 0.0013181400000000, -0.0001612900000000, -0.0007503400000000 ] - [ 0.0002301800000000, -0.0002668200000000, -0.0004571100000000 ] - [ 0.0003341700000000, -0.0003391000000000, 0.0007444600000000 ] - [ -0.0004905800000000, -0.0006586700000000, -0.0001443400000000 ] - [ -0.0005335900000000, 0.0000047200000000, 0.0000789600000000 ] - [ 0.0002153400000000, -0.0002048000000000, -0.0010633900000000 ] - [ 0.0004271700000000, -0.0002085100000000, 0.0003321800000000 ] - [ -0.0073066900000000, 0.0005296200000000, 0.0000286800000000 ] - [ 0.0008070600000000, 0.0001741800000000, -0.0000198800000000 ] - [ 0.0003801800000000, 0.0001086200000000, 0.0004046500000000 ] - [ 0.0003401300000000, 0.0003060100000000, 0.0004282700000000 ] - [ -0.0040061700000000, 0.0017334900000000, -0.0041260100000000 ] - [ 0.0003785700000000, -0.0001761200000000, 0.0006093000000000 ] - [ 0.0002139300000000, -0.0003125600000000, -0.0007865300000000 ] - [ 0.0009061600000000, -0.0001053000000000, 0.0002067400000000 ] - [ 0.0138191500000000, 0.0294691000000000, -0.0125141800000000 ] - [ 0.0020660500000000, -0.0001539900000000, 0.0004219500000000 ] - [ 0.0000686800000000, -0.0002711400000000, -0.0000846500000000 ] - [ 0.0001404500000000, -0.0006781000000000, 0.0003792100000000 ] - [ 0.0009802500000000, 0.0003392000000000, -0.0009835400000000 ] - [ 0.0002694400000000, -0.0003533700000000, 0.0006001100000000 ] - [ 0.0005868500000000, 0.0125219200000000, -0.0029142800000000 ] - [ 0.0005845500000000, -0.0001016800000000, 0.0000890100000000 ] - [ -0.0011397200000000, 0.0022126700000000, 0.0016181700000000 ] - [ 0.0007519400000000, -0.0006829700000000, -0.0004555400000000 ] - [ -0.0000570700000000, -0.0001735100000000, -0.0004042000000000 ] - [ -0.0000426000000000, -0.0001794100000000, 0.0004345800000000 ] - [ 0.0010104400000000, -0.0007871500000000, -0.0000564200000000 ] - [ -0.0015267100000000, -0.0008152400000000, 0.0008274500000000 ] - [ -0.0005844400000000, 0.0013604900000000, 0.0022342500000000 ] - [ -0.0006398500000000, -0.0000435200000000, -0.0002636900000000 ] - [ -0.0032083500000000, 0.0058063500000000, 0.0037330100000000 ] - [ -0.0031004200000000, -0.0005290600000000, 0.0006193300000000 ] - [ -0.0008766000000000, 0.0011044100000000, 0.0003568300000000 ] - [ 0.0023613700000000, -0.0028501100000000, -0.0026289400000000 ] - [ -0.0011627300000000, 0.0001954600000000, 0.0003293900000000 ] - [ -0.0013349200000000, -0.0006634600000000, -0.0001877300000000 ] - [ 0.0430103700000000, 0.0142135600000000, -0.0119319300000000 ] - [ -0.0017925500000000, -0.0002770700000000, -0.0006169700000000 ] - [ 0.0006571400000000, 0.0004838000000000, 0.0009735800000000 ] - [ 0.0000026300000000, 0.0002839900000000, -0.0011714400000000 ] - [ 0.0039701500000000, 0.0020575300000000, 0.0002520600000000 ] - [ -0.0018297900000000, 0.0000358300000000, 0.0005881000000000 ] - [ -0.0069761300000000, -0.0005125300000000, 0.0025226400000000 ] - [ -0.0045477700000000, 0.0002362000000000, -0.0052899600000000 ] - [ 0.0044382300000000, 0.0019976100000000, -0.0006638100000000 ] - [ -0.0006336400000000, 0.0008127600000000, -0.0003423100000000 ] - [ 0.0005208500000000, 0.0025361300000000, -0.0055950900000000 ] - [ -0.0005230200000000, -0.0003229500000000, 0.0000253900000000 ] - [ 0.0017161900000000, -0.0005769700000000, 0.0052377100000000 ] - [ -0.0000572900000000, -0.0013180000000000, -0.0040056200000000 ] - [ 0.0010330800000000, 0.0002779000000000, 0.0012005300000000 ] - [ -0.0004017900000000, 0.0002972800000000, -0.0006619300000000 ] - [ -0.0029558500000000, -0.0000560000000000, -0.0126082300000000 ] - [ -0.0052274900000000, 0.0009909700000000, 0.0005418600000000 ] - [ -0.0005623300000000, -0.0004908300000000, 0.0011561900000000 ] - [ 0.0001075300000000, 0.0001453500000000, -0.0006947300000000 ] - [ 0.0200559800000000, 0.0015009700000000, -0.0091566300000000 ] - [ -0.0035992000000000, 0.0002141500000000, -0.0008548700000000 ] - [ 0.0127858200000000, 0.0029551800000000, -0.0006252600000000 ] - [ -0.0021113700000000, 0.0003883000000000, -0.0006149800000000 ] - [ -0.0025766900000000, -0.0035552100000000, 0.0045766400000000 ] - [ -0.0015476000000000, 0.0021062600000000, -0.0008567300000000 ] - [ 0.0038127400000000, -0.0003673400000000, 0.0018654800000000 ] - [ -0.0011344900000000, -0.0010190300000000, 0.0001600900000000 ] - [ -0.0004988500000000, -0.0021774100000000, 0.0020894800000000 ] - [ -0.0009237400000000, -0.0006466000000000, -0.0017346000000000 ] - [ 0.0030726400000000, -0.0003428500000000, 0.0039097400000000 ] - [ -0.0005599900000000, 0.0000673100000000, -0.0013725100000000 ] - [ -0.0000163000000000, -0.0014030800000000, -0.0010196000000000 ] - [ -0.0014468400000000, 0.0007744500000000, 0.0006590000000000 ] - [ -0.0014759400000000, -0.0002209200000000, 0.0022018100000000 ] - [ 0.0004300400000000, -0.0001874100000000, -0.0030826100000000 ] - [ 0.0006248800000000, -0.0025864900000000, 0.0004403400000000 ] - [ -0.0011686000000000, 0.0001710000000000, -0.0004436600000000 ]- atom: 57 displacement: [ -0.0099999999206514, 0.0000000000000000, -0.0000012597509720 ] forces: - [ -0.0005137800000000, -0.0005164000000000, 0.0021341000000000 ] - [ -0.0003228600000000, 0.0004081400000000, -0.0011968700000000 ] - [ 0.0012084500000000, 0.0001535300000000, -0.0004463900000000 ] - [ -0.0003907800000000, 0.0000531600000000, 0.0001772400000000 ] - [ -0.0019394000000000, -0.0006829900000000, 0.0020553900000000 ] - [ -0.0004779700000000, 0.0007861100000000, -0.0018015300000000 ] - [ 0.0025412300000000, 0.0015733600000000, -0.0011801300000000 ] - [ -0.0008736500000000, -0.0001894400000000, 0.0002080900000000 ] - [ 0.0007071100000000, -0.0006373700000000, -0.0004143100000000 ] - [ 0.0007565900000000, -0.0006419400000000, -0.0000849500000000 ] - [ -0.0065209400000000, 0.0020159000000000, 0.0056386800000000 ] - [ -0.0043841500000000, -0.0002088500000000, -0.0044990800000000 ] - [ 0.0004231400000000, 0.0009395700000000, 0.0003160300000000 ] - [ -0.0011095200000000, 0.0006259200000000, 0.0002595300000000 ] - [ -0.0029813100000000, 0.0010977500000000, 0.0001772400000000 ] - [ -0.0076995200000000, 0.0010434500000000, -0.0026616900000000 ] - [ -0.0059592800000000, 0.0029712400000000, 0.0087366100000000 ] - [ -0.0014870700000000, -0.0006502700000000, -0.0015865500000000 ] - [ 0.0013165300000000, -0.0017877000000000, 0.0000769900000000 ] - [ -0.0015363800000000, 0.0005069600000000, 0.0001102100000000 ] - [ 0.0005786500000000, 0.0002722100000000, 0.0019228600000000 ] - [ -0.0016309800000000, -0.0005447600000000, -0.0008011300000000 ] - [ 0.0015630700000000, -0.0007759000000000, 0.0002036400000000 ] - [ -0.0000242200000000, 0.0000277900000000, -0.0004527400000000 ] - [ 0.0008356000000000, 0.0011730900000000, -0.0015457500000000 ] - [ -0.0006194300000000, -0.0004492300000000, -0.0001847800000000 ] - [ -0.0003233000000000, 0.0005633300000000, 0.0019921600000000 ] - [ 0.0001421100000000, -0.0003246400000000, -0.0003604500000000 ] - [ 0.0014667300000000, 0.0031487600000000, 0.0005240300000000 ] - [ -0.0009737600000000, -0.0004605600000000, 0.0006624000000000 ] - [ -0.0024161600000000, 0.0009412600000000, 0.0008117600000000 ] - [ -0.0000790700000000, -0.0013104400000000, -0.0026194700000000 ] - [ -0.0008970500000000, 0.0012809100000000, 0.0011252200000000 ] - [ -0.0011264100000000, -0.0000412900000000, -0.0001196600000000 ] - [ -0.0008311800000000, -0.0011106000000000, 0.0005209400000000 ] - [ -0.0016466700000000, 0.0003532600000000, -0.0016715900000000 ] - [ -0.0014631200000000, -0.0003644000000000, -0.0002728800000000 ] - [ -0.0013405800000000, 0.0017274700000000, 0.0002199200000000 ] - [ 0.0023421500000000, -0.0001870800000000, -0.0001400000000000 ] - [ -0.0013016900000000, 0.0005124900000000, -0.0004233700000000 ] - [ -0.0031284600000000, 0.0080965400000000, -0.0062021400000000 ] - [ -0.0011594500000000, -0.0002886000000000, -0.0004474600000000 ] - [ 0.0009759000000000, 0.0004082800000000, 0.0021985300000000 ] - [ -0.0002784500000000, 0.0005496300000000, -0.0002672300000000 ] - [ 0.0008652100000000, 0.0050074400000000, 0.0034414600000000 ] - [ -0.0009184500000000, -0.0006864700000000, -0.0000213100000000 ] - [ -0.0000920300000000, -0.0003601800000000, 0.0005121200000000 ] - [ -0.0001195200000000, -0.0008161800000000, -0.0013038400000000 ] - [ 0.0013368400000000, -0.0007410700000000, -0.0015248800000000 ] - [ -0.0007699100000000, -0.0002893700000000, 0.0006066500000000 ] - [ -0.0000527800000000, -0.0002480000000000, 0.0006684000000000 ] - [ 0.0000312200000000, -0.0004624300000000, -0.0006364500000000 ] - [ -0.0000954500000000, 0.0152101100000000, -0.0045498500000000 ] - [ -0.0011811400000000, 0.0006215200000000, 0.0000936500000000 ] - [ -0.0007489300000000, 0.0005814000000000, 0.0003542300000000 ] - [ -0.0001624200000000, -0.0003982000000000, -0.0004769400000000 ] - [ 0.0921478200000000, 0.0281305400000000, -0.0460258900000000 ] - [ -0.0013550600000000, 0.0002588400000000, 0.0003693200000000 ] - [ -0.0005870700000000, -0.0002730200000000, 0.0003658700000000 ] - [ -0.0003802600000000, 0.0004096400000000, -0.0007500600000000 ] - [ 0.0054632900000000, 0.0002053600000000, -0.0032206100000000 ] - [ -0.0016924400000000, -0.0004987900000000, 0.0001919400000000 ] - [ 0.0001343100000000, -0.0003955400000000, 0.0010287100000000 ] - [ 0.0000368700000000, -0.0003211800000000, -0.0001751200000000 ] - [ 0.0004330800000000, 0.0001982100000000, 0.0006655200000000 ] - [ 0.0004763400000000, -0.0004620500000000, 0.0004589900000000 ] - [ -0.0001548200000000, -0.0002644500000000, 0.0005469600000000 ] - [ -0.0003649500000000, -0.0002589600000000, -0.0008484800000000 ] - [ 0.0073643400000000, -0.0001185500000000, -0.0003887800000000 ] - [ -0.0007459800000000, 0.0002938500000000, -0.0004968000000000 ] - [ -0.0004444200000000, 0.0003576900000000, 0.0001072600000000 ] - [ -0.0004006800000000, 0.0001590400000000, 0.0000854100000000 ] - [ 0.0029596400000000, -0.0019485300000000, 0.0044893000000000 ] - [ -0.0014511600000000, -0.0000097900000000, -0.0002830400000000 ] - [ 0.0008616600000000, 0.0001295900000000, 0.0004676900000000 ] - [ 0.0001742800000000, -0.0000792500000000, -0.0005234200000000 ] - [ -0.0127432100000000, -0.0290030600000000, 0.0121311400000000 ] - [ -0.0009901600000000, 0.0003450000000000, -0.0007472300000000 ] - [ 0.0004593700000000, -0.0005758500000000, 0.0007048700000000 ] - [ 0.0003870400000000, -0.0001774100000000, 0.0002566900000000 ] - [ -0.0008017100000000, -0.0000720900000000, 0.0006161300000000 ] - [ -0.0000809300000000, 0.0006129000000000, -0.0009652400000000 ] - [ -0.0007535300000000, -0.0123622600000000, 0.0032910900000000 ] - [ -0.0007652200000000, 0.0003652600000000, 0.0002795300000000 ] - [ 0.0013117500000000, -0.0024602900000000, -0.0019891900000000 ] - [ -0.0005726000000000, 0.0004232100000000, 0.0000880200000000 ] - [ -0.0001304300000000, -0.0000890300000000, 0.0007784900000000 ] - [ -0.0001368600000000, -0.0000888100000000, -0.0000655900000000 ] - [ -0.0024329200000000, -0.0008563400000000, 0.0009578800000000 ] - [ 0.0001058000000000, -0.0008302200000000, 0.0000682400000000 ] - [ -0.0008740400000000, -0.0007362900000000, -0.0008448100000000 ] - [ -0.0008332300000000, 0.0006565800000000, 0.0016688800000000 ] - [ 0.0017001700000000, -0.0063961600000000, -0.0022529500000000 ] - [ 0.0016340400000000, -0.0000933300000000, 0.0007890800000000 ] - [ 0.0023516900000000, -0.0017194500000000, -0.0017681800000000 ] - [ -0.0009221700000000, 0.0022287700000000, 0.0012231900000000 ] - [ 0.0001844200000000, -0.0007922800000000, 0.0002991800000000 ] - [ 0.0003386600000000, 0.0000687000000000, 0.0008122800000000 ] - [ -0.0423304100000000, -0.0153973200000000, 0.0118423700000000 ] - [ 0.0027870900000000, -0.0003229700000000, -0.0000034600000000 ] - [ 0.0003390800000000, 0.0001145900000000, -0.0015972500000000 ] - [ 0.0009841600000000, 0.0003127100000000, 0.0005478700000000 ] - [ -0.0049910800000000, -0.0014824200000000, 0.0003595100000000 ] - [ 0.0008390700000000, 0.0005585300000000, 0.0000127200000000 ] - [ 0.0055702100000000, 0.0021508900000000, -0.0016072600000000 ] - [ 0.0031282600000000, 0.0014114200000000, 0.0062519900000000 ] - [ -0.0030123500000000, -0.0003427000000000, -0.0002380700000000 ] - [ 0.0020547200000000, 0.0008370600000000, -0.0005600800000000 ] - [ 0.0009457800000000, -0.0019126800000000, 0.0041910100000000 ] - [ 0.0020040000000000, 0.0009470000000000, -0.0014406900000000 ] - [ -0.0002838600000000, -0.0010824600000000, -0.0061824200000000 ] - [ 0.0014676600000000, -0.0003385400000000, 0.0030813900000000 ] - [ -0.0007537700000000, 0.0001851900000000, -0.0013559400000000 ] - [ 0.0006736500000000, 0.0001677200000000, 0.0005132300000000 ] - [ 0.0031919800000000, 0.0006629000000000, 0.0130311100000000 ] - [ 0.0049852100000000, -0.0005389600000000, -0.0003991400000000 ] - [ 0.0002923000000000, 0.0000298900000000, -0.0010129200000000 ] - [ -0.0003872900000000, -0.0006034200000000, 0.0008358200000000 ] - [ -0.0205485800000000, -0.0020270000000000, 0.0100223600000000 ] - [ 0.0038607500000000, -0.0006747900000000, 0.0007080700000000 ] - [ -0.0130820200000000, -0.0012051800000000, -0.0000835400000000 ] - [ 0.0017954900000000, 0.0015141100000000, -0.0000977100000000 ] - [ 0.0029190300000000, 0.0054721100000000, -0.0038694900000000 ] - [ 0.0018518000000000, -0.0002125100000000, 0.0015726400000000 ] - [ -0.0034928900000000, -0.0015343200000000, -0.0011467600000000 ] - [ 0.0014504700000000, -0.0008803800000000, 0.0005421600000000 ] - [ 0.0001935600000000, 0.0002962900000000, -0.0028210100000000 ] - [ 0.0005983100000000, -0.0012451200000000, 0.0010138200000000 ] - [ -0.0025979900000000, 0.0005661000000000, -0.0043048800000000 ] - [ 0.0009825100000000, 0.0001989800000000, 0.0010175100000000 ] - [ -0.0004066900000000, 0.0016670300000000, 0.0013831400000000 ] - [ 0.0010200900000000, -0.0005082200000000, -0.0003042100000000 ] - [ 0.0010571300000000, -0.0000489000000000, -0.0018558300000000 ] - [ -0.0009192100000000, -0.0000744100000000, 0.0033968200000000 ] - [ -0.0002033600000000, 0.0023365400000000, -0.0007845400000000 ] - [ 0.0015931300000000, -0.0004331700000000, 0.0000907200000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000877200000000, -0.0006407100000000, 0.0000297600000000 ] - [ -0.0002178100000000, -0.0005878600000000, 0.0001435700000000 ] - [ 0.0002699800000000, 0.0016142700000000, 0.0002294000000000 ] - [ 0.0000758500000000, 0.0004652500000000, 0.0000793000000000 ] - [ 0.0016443700000000, -0.0024307900000000, -0.0012613600000000 ] - [ -0.0008174500000000, -0.0013847700000000, -0.0000770800000000 ] - [ 0.0022775300000000, 0.0075227900000000, -0.0007276800000000 ] - [ -0.0002677000000000, 0.0003083100000000, 0.0001320700000000 ] - [ 0.0005602900000000, -0.0001653000000000, -0.0006727700000000 ] - [ 0.0008224500000000, -0.0002393300000000, -0.0001141000000000 ] - [ 0.0012361600000000, -0.0017922600000000, -0.0010791800000000 ] - [ -0.0000585700000000, -0.0012054200000000, 0.0009753200000000 ] - [ -0.0002600900000000, 0.0025541300000000, 0.0002972900000000 ] - [ -0.0006215900000000, 0.0009205000000000, 0.0001847600000000 ] - [ 0.0009330600000000, -0.0012101900000000, -0.0006733200000000 ] - [ 0.0013525300000000, -0.0012520900000000, 0.0002777400000000 ] - [ -0.0052368400000000, -0.0038839400000000, 0.0042377700000000 ] - [ 0.0006912400000000, -0.0002947000000000, -0.0001752200000000 ] - [ -0.0013033000000000, 0.0038050000000000, 0.0006083700000000 ] - [ -0.0008504800000000, 0.0005779500000000, 0.0002246400000000 ] - [ -0.0008651300000000, -0.0008431300000000, 0.0003668700000000 ] - [ -0.0009093900000000, -0.0003840400000000, -0.0002632100000000 ] - [ 0.0003729900000000, 0.0006526100000000, -0.0010365400000000 ] - [ 0.0004244800000000, 0.0001264400000000, -0.0001971900000000 ] - [ 0.0002965900000000, 0.0017112200000000, -0.0015138800000000 ] - [ 0.0003010600000000, 0.0003785300000000, -0.0004773200000000 ] - [ 0.0004794100000000, -0.0007544000000000, -0.0002736000000000 ] - [ 0.0000082000000000, -0.0003110600000000, 0.0004848800000000 ] - [ 0.0009562600000000, 0.0057812600000000, 0.0013418900000000 ] - [ 0.0004513100000000, 0.0006990500000000, 0.0004231100000000 ] - [ -0.0006755600000000, -0.0007982900000000, -0.0004406600000000 ] - [ 0.0014122100000000, -0.0017691700000000, -0.0000817600000000 ] - [ -0.0059340300000000, 0.0052730500000000, 0.0046050800000000 ] - [ -0.0001613500000000, 0.0003352300000000, 0.0002902000000000 ] - [ 0.0008315500000000, -0.0004039700000000, -0.0010424700000000 ] - [ -0.0021501100000000, 0.0004027200000000, -0.0015626100000000 ] - [ 0.0020962300000000, 0.0012384200000000, 0.0012941700000000 ] - [ -0.0028844000000000, 0.0020658600000000, 0.0010099300000000 ] - [ 0.0020612000000000, 0.0015256300000000, 0.0055758700000000 ] - [ -0.0004940800000000, 0.0002972200000000, -0.0003092000000000 ] - [ -0.0086445900000000, 0.0035799200000000, -0.0089067700000000 ] - [ 0.0001703200000000, 0.0002355300000000, -0.0003303400000000 ] - [ -0.0001589600000000, 0.0016915800000000, -0.0009137200000000 ] - [ -0.0000623300000000, 0.0008494300000000, 0.0002705100000000 ] - [ -0.0030499300000000, 0.0023047100000000, 0.0062761700000000 ] - [ 0.0004476200000000, -0.0007463800000000, 0.0006632600000000 ] - [ -0.0003472900000000, -0.0002761800000000, -0.0005657600000000 ] - [ 0.0007919100000000, 0.0002870700000000, 0.0004648100000000 ] - [ 0.0002977100000000, -0.0011322200000000, -0.0016988400000000 ] - [ 0.0003314400000000, -0.0006816400000000, -0.0000217300000000 ] - [ 0.0003540000000000, 0.0000302800000000, -0.0004789700000000 ] - [ 0.0003064000000000, -0.0000519100000000, -0.0000230100000000 ] - [ -0.0113575400000000, 0.0193840500000000, -0.0064086900000000 ] - [ 0.0005111500000000, 0.0001309900000000, -0.0001448900000000 ] - [ -0.0009400300000000, 0.0004158500000000, 0.0001664300000000 ] - [ 0.0015036500000000, 0.0013834400000000, 0.0005586700000000 ] - [ -0.0281543300000000, -0.2312463100000000, 0.1308134500000000 ] - [ 0.0002570000000000, -0.0000407400000000, 0.0003501900000000 ] - [ -0.0007800800000000, 0.0032708300000000, -0.0000530300000000 ] - [ -0.0001056000000000, 0.0013599300000000, -0.0001624300000000 ] - [ -0.0007210800000000, -0.0039606600000000, 0.0010851700000000 ] - [ -0.0000139800000000, -0.0006781400000000, -0.0003055700000000 ] - [ 0.0001216300000000, 0.0003723300000000, 0.0003865700000000 ] - [ 0.0001927100000000, 0.0001556100000000, 0.0003139700000000 ] - [ 0.0000010800000000, -0.0010292200000000, -0.0001128900000000 ] - [ 0.0002703400000000, -0.0014949900000000, -0.0002418800000000 ] - [ 0.0004407700000000, 0.0011864400000000, -0.0006166600000000 ] - [ 0.0001696200000000, 0.0003661700000000, -0.0002383800000000 ] - [ 0.0003503900000000, -0.0046166600000000, -0.0075328400000000 ] - [ 0.0001326700000000, -0.0001322500000000, -0.0003501800000000 ] - [ -0.0004746000000000, 0.0015558400000000, -0.0002527100000000 ] - [ 0.0007261100000000, 0.0012612400000000, 0.0003590700000000 ] - [ -0.0005510800000000, -0.0008198700000000, -0.0009938300000000 ] - [ -0.0006691800000000, -0.0004860700000000, 0.0001948900000000 ] - [ 0.0003656800000000, 0.0006169600000000, 0.0001365700000000 ] - [ 0.0004418200000000, 0.0002665100000000, -0.0002497700000000 ] - [ 0.0292385800000000, 0.0227920600000000, -0.0148425600000000 ] - [ 0.0003016300000000, -0.0003090500000000, 0.0000089800000000 ] - [ 0.0005772700000000, -0.0004288000000000, 0.0007598300000000 ] - [ 0.0003009900000000, -0.0002317500000000, -0.0005167400000000 ] - [ 0.0008625900000000, 0.0003870700000000, -0.0007249800000000 ] - [ -0.0006616100000000, 0.0011591700000000, -0.0013072700000000 ] - [ 0.0114334200000000, 0.0154473200000000, -0.0085476700000000 ] - [ -0.0002201100000000, -0.0000757100000000, 0.0001991300000000 ] - [ 0.0005563500000000, 0.0003498100000000, 0.0010602200000000 ] - [ -0.0000456900000000, -0.0002647700000000, -0.0000940100000000 ] - [ -0.0002368900000000, -0.0002724100000000, 0.0006870600000000 ] - [ -0.0000701600000000, -0.0000835300000000, 0.0000566200000000 ] - [ -0.0008154100000000, -0.0028487700000000, 0.0010733100000000 ] - [ -0.0007178800000000, -0.0014593500000000, 0.0002728600000000 ] - [ -0.0011788400000000, 0.0004174900000000, 0.0020316200000000 ] - [ -0.0009814300000000, 0.0002777600000000, 0.0006861900000000 ] - [ 0.0059810500000000, -0.0097281500000000, -0.0077755700000000 ] - [ -0.0024187300000000, -0.0003718000000000, 0.0005202800000000 ] - [ 0.0013210100000000, 0.0000088000000000, -0.0009560200000000 ] - [ -0.0039202300000000, -0.0007595900000000, -0.0027528600000000 ] - [ 0.0027780700000000, -0.0030606100000000, 0.0010639300000000 ] - [ -0.0017786100000000, -0.0019178800000000, 0.0000432600000000 ] - [ 0.0150103300000000, 0.1479437300000000, -0.0928950600000000 ] - [ 0.0004073500000000, 0.0002439500000000, -0.0002858200000000 ] - [ 0.0004902200000000, -0.0008487800000000, -0.0003360400000000 ] - [ 0.0005126200000000, -0.0004046400000000, -0.0003202700000000 ] - [ -0.0002309400000000, 0.0028764000000000, 0.0014697300000000 ] - [ -0.0007344400000000, 0.0009057300000000, 0.0005010200000000 ] - [ 0.0012546400000000, 0.0063590000000000, 0.0015873400000000 ] - [ -0.0014117200000000, 0.0033765800000000, 0.0000920700000000 ] - [ 0.0002141400000000, -0.0067658800000000, -0.0012151500000000 ] - [ 0.0007286900000000, 0.0001419200000000, -0.0002905900000000 ] - [ 0.0021707900000000, -0.0023887100000000, 0.0048179500000000 ] - [ -0.0004390700000000, 0.0003233400000000, -0.0008045900000000 ] - [ 0.0009306000000000, 0.0006474100000000, 0.0004992600000000 ] - [ 0.0010403200000000, -0.0000466600000000, -0.0007802200000000 ] - [ -0.0002027400000000, -0.0027989100000000, -0.0014854300000000 ] - [ 0.0001416400000000, -0.0004295700000000, 0.0000651300000000 ] - [ -0.0028181600000000, 0.0157574900000000, -0.0059630400000000 ] - [ -0.0003761200000000, 0.0012637000000000, -0.0003103700000000 ] - [ -0.0002344900000000, -0.0013897500000000, 0.0002329300000000 ] - [ -0.0003055300000000, -0.0022826300000000, 0.0004014300000000 ] - [ -0.0014675600000000, 0.0134249500000000, 0.0003157800000000 ] - [ 0.0000328000000000, 0.0007030900000000, -0.0001168300000000 ] - [ 0.0019059100000000, 0.0049544200000000, -0.0049467100000000 ] - [ -0.0002627600000000, 0.0011521700000000, -0.0003397900000000 ] - [ -0.0047174200000000, -0.0050794200000000, 0.0048135900000000 ] - [ 0.0023171800000000, 0.0001968200000000, 0.0012605600000000 ] - [ -0.0008598400000000, -0.0018662700000000, -0.0032443200000000 ] - [ 0.0001811100000000, -0.0010651700000000, 0.0007108300000000 ] - [ -0.0003322200000000, -0.0012074700000000, 0.0003911200000000 ] - [ 0.0000369000000000, -0.0007814300000000, -0.0001847500000000 ] - [ -0.0007772900000000, 0.0048387200000000, -0.0019993900000000 ] - [ 0.0003441200000000, 0.0008338300000000, 0.0001831900000000 ] - [ -0.0007942300000000, -0.0031876400000000, -0.0008255400000000 ] - [ 0.0003839400000000, -0.0012833800000000, -0.0003562600000000 ] - [ -0.0008334800000000, 0.0007286000000000, 0.0005791300000000 ] - [ 0.0022589000000000, 0.0017807100000000, 0.0040497200000000 ] - [ -0.0028221700000000, -0.0059174600000000, 0.0017755200000000 ] - [ 0.0010398700000000, -0.0009515900000000, -0.0002613500000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002267000000000, 0.0007308900000000, 0.0000809100000000 ] - [ -0.0000993200000000, 0.0006762400000000, -0.0000276600000000 ] - [ 0.0000449500000000, -0.0015403500000000, -0.0003432300000000 ] - [ 0.0002402700000000, -0.0003856600000000, -0.0001981000000000 ] - [ -0.0013196500000000, 0.0023410100000000, 0.0011353500000000 ] - [ 0.0011333400000000, 0.0012939200000000, -0.0000396400000000 ] - [ -0.0026308100000000, -0.0076611200000000, 0.0008680500000000 ] - [ -0.0000470600000000, -0.0003907600000000, -0.0000140300000000 ] - [ 0.0006494800000000, -0.0011263700000000, 0.0000790500000000 ] - [ 0.0003828000000000, -0.0010525300000000, -0.0004886400000000 ] - [ -0.0024082700000000, 0.0004761100000000, 0.0016474000000000 ] - [ -0.0011700400000000, -0.0000791400000000, -0.0003989000000000 ] - [ -0.0009535800000000, -0.0012706500000000, 0.0002870000000000 ] - [ -0.0005850300000000, 0.0003689000000000, 0.0004110100000000 ] - [ 0.0002690600000000, 0.0025036800000000, 0.0000892700000000 ] - [ -0.0001034800000000, 0.0025406800000000, -0.0008528800000000 ] - [ 0.0064094000000000, 0.0042127100000000, -0.0046813700000000 ] - [ 0.0004938900000000, 0.0005813200000000, -0.0002683300000000 ] - [ 0.0001311600000000, -0.0035356600000000, -0.0001580000000000 ] - [ -0.0003290900000000, -0.0002976400000000, 0.0002235100000000 ] - [ -0.0003164900000000, 0.0005552000000000, 0.0000725900000000 ] - [ -0.0002719500000000, 0.0000985100000000, 0.0007128600000000 ] - [ 0.0008063400000000, -0.0009331100000000, 0.0005962500000000 ] - [ 0.0007554000000000, -0.0004090200000000, -0.0002516100000000 ] - [ -0.0002934100000000, -0.0018066500000000, 0.0005472300000000 ] - [ -0.0002963100000000, -0.0004676800000000, -0.0004986400000000 ] - [ -0.0004834600000000, 0.0006550400000000, 0.0012443200000000 ] - [ -0.0000126900000000, 0.0002150600000000, 0.0004873000000000 ] - [ -0.0009682100000000, -0.0057010600000000, -0.0003576500000000 ] - [ -0.0004539100000000, -0.0006096300000000, 0.0005521200000000 ] - [ 0.0006781400000000, 0.0008929300000000, -0.0005342300000000 ] - [ -0.0014145300000000, 0.0018794500000000, -0.0008858700000000 ] - [ 0.0049337700000000, -0.0051492900000000, -0.0043551200000000 ] - [ -0.0009205800000000, -0.0001488600000000, 0.0000288000000000 ] - [ -0.0013636900000000, -0.0004348500000000, 0.0004279000000000 ] - [ 0.0016334800000000, -0.0012531100000000, 0.0009530600000000 ] - [ -0.0015637500000000, -0.0003941100000000, -0.0006685200000000 ] - [ 0.0033998400000000, -0.0012212100000000, -0.0003814100000000 ] - [ -0.0026164300000000, -0.0006764600000000, -0.0062591800000000 ] - [ -0.0000300800000000, 0.0005548100000000, -0.0003123000000000 ] - [ 0.0084845600000000, -0.0025939600000000, 0.0080270400000000 ] - [ -0.0004273600000000, 0.0007577600000000, -0.0006411200000000 ] - [ 0.0004136100000000, -0.0007165400000000, 0.0018762600000000 ] - [ 0.0003197700000000, 0.0001331100000000, 0.0006982100000000 ] - [ 0.0032854600000000, -0.0033028200000000, -0.0052643600000000 ] - [ -0.0001872900000000, -0.0002445600000000, 0.0003103900000000 ] - [ 0.0000901600000000, -0.0007062600000000, -0.0004092300000000 ] - [ -0.0010599900000000, -0.0012739500000000, -0.0014423800000000 ] - [ -0.0005114000000000, 0.0004384100000000, 0.0018651500000000 ] - [ -0.0005321700000000, -0.0000228900000000, 0.0001760600000000 ] - [ -0.0001567000000000, -0.0007466100000000, 0.0003254000000000 ] - [ -0.0001087300000000, -0.0006622300000000, -0.0001297700000000 ] - [ 0.0113786300000000, -0.0184441300000000, 0.0060838400000000 ] - [ -0.0003079200000000, 0.0005740800000000, -0.0000097800000000 ] - [ 0.0007539200000000, 0.0002997100000000, -0.0000144900000000 ] - [ -0.0017144200000000, -0.0006740500000000, -0.0004082400000000 ] - [ 0.0269329400000000, 0.2274323200000000, -0.1233171100000000 ] - [ 0.0001139500000000, 0.0007005900000000, 0.0002196900000000 ] - [ 0.0004252000000000, -0.0026230600000000, -0.0005216800000000 ] - [ -0.0002667700000000, -0.0007028500000000, -0.0004072700000000 ] - [ 0.0003350300000000, 0.0033024800000000, -0.0017396000000000 ] - [ -0.0003512600000000, 0.0000186600000000, -0.0002641700000000 ] - [ 0.0002502400000000, -0.0010332600000000, 0.0001771300000000 ] - [ 0.0001746800000000, -0.0008170200000000, 0.0002539000000000 ] - [ -0.0000657300000000, 0.0005668800000000, 0.0006123200000000 ] - [ -0.0003302900000000, 0.0010356100000000, 0.0007617800000000 ] - [ -0.0003838300000000, -0.0016601500000000, 0.0001069000000000 ] - [ -0.0001062900000000, -0.0008357400000000, -0.0002743400000000 ] - [ -0.0002860400000000, 0.0050063900000000, 0.0070959100000000 ] - [ -0.0000704200000000, 0.0005973600000000, -0.0001679100000000 ] - [ 0.0004221500000000, -0.0010949900000000, 0.0007780900000000 ] - [ -0.0007953300000000, -0.0007969600000000, 0.0001558900000000 ] - [ -0.0005329000000000, 0.0006642400000000, 0.0012903100000000 ] - [ -0.0004064000000000, 0.0003059200000000, 0.0001245200000000 ] - [ 0.0007147600000000, -0.0008083900000000, -0.0004585000000000 ] - [ 0.0006361100000000, -0.0004553600000000, -0.0000718900000000 ] - [ -0.0277275100000000, -0.0223725300000000, 0.0143179800000000 ] - [ 0.0007773300000000, 0.0004880400000000, -0.0003256700000000 ] - [ -0.0000513000000000, -0.0004248100000000, -0.0001441300000000 ] - [ 0.0002265400000000, -0.0006258500000000, 0.0011413200000000 ] - [ -0.0006766600000000, -0.0001260100000000, 0.0003522100000000 ] - [ 0.0008396000000000, -0.0008963800000000, 0.0009318200000000 ] - [ -0.0118484400000000, -0.0154259900000000, 0.0090698600000000 ] - [ 0.0000409900000000, 0.0003452300000000, 0.0001698700000000 ] - [ -0.0003768200000000, -0.0006340600000000, -0.0014267000000000 ] - [ 0.0002272800000000, -0.0000079800000000, -0.0002740500000000 ] - [ 0.0000593200000000, 0.0000137600000000, -0.0003253200000000 ] - [ -0.0001114900000000, -0.0001803100000000, 0.0003123700000000 ] - [ -0.0006042900000000, 0.0012047400000000, -0.0001775700000000 ] - [ -0.0007039000000000, -0.0001887600000000, 0.0006353900000000 ] - [ -0.0002880500000000, 0.0002211700000000, -0.0006220000000000 ] - [ -0.0004875200000000, 0.0003482900000000, 0.0007231800000000 ] - [ -0.0074360300000000, 0.0091164800000000, 0.0091273500000000 ] - [ 0.0009406400000000, -0.0002390400000000, 0.0008848300000000 ] - [ 0.0001441700000000, -0.0006390100000000, -0.0004437600000000 ] - [ 0.0054340200000000, 0.0001255100000000, 0.0013542200000000 ] - [ -0.0038113800000000, 0.0024765400000000, -0.0004558000000000 ] - [ 0.0007975300000000, 0.0013220500000000, 0.0005814200000000 ] - [ -0.0131112500000000, -0.1429157600000000, 0.0859130100000000 ] - [ 0.0005798400000000, -0.0008385900000000, -0.0003358300000000 ] - [ 0.0005010100000000, 0.0014534100000000, -0.0002886700000000 ] - [ 0.0004800400000000, 0.0010062300000000, -0.0003040500000000 ] - [ -0.0007473100000000, -0.0023237800000000, -0.0008241000000000 ] - [ -0.0002579900000000, -0.0003147300000000, 0.0001198400000000 ] - [ -0.0026743100000000, -0.0046990200000000, -0.0006903400000000 ] - [ -0.0000178400000000, -0.0017326500000000, 0.0007803900000000 ] - [ 0.0012088200000000, 0.0084467700000000, 0.0003254900000000 ] - [ 0.0006911800000000, 0.0015069300000000, -0.0006124000000000 ] - [ -0.0006997200000000, 0.0030077100000000, -0.0062636300000000 ] - [ 0.0019127400000000, 0.0002836700000000, -0.0006012700000000 ] - [ 0.0004952200000000, -0.0022975300000000, -0.0013727100000000 ] - [ 0.0003824100000000, -0.0016017800000000, -0.0001105600000000 ] - [ 0.0004791700000000, 0.0032757800000000, 0.0013667200000000 ] - [ 0.0001334200000000, 0.0008921500000000, -0.0002119300000000 ] - [ 0.0026695400000000, -0.0152939000000000, 0.0061384400000000 ] - [ 0.0000803600000000, -0.0007953700000000, 0.0004538400000000 ] - [ -0.0000467000000000, 0.0009281900000000, -0.0000787300000000 ] - [ 0.0000384100000000, 0.0018242500000000, -0.0002450900000000 ] - [ 0.0017994300000000, -0.0138761800000000, -0.0005330100000000 ] - [ 0.0002449900000000, -0.0011721600000000, -0.0000349800000000 ] - [ -0.0018607300000000, -0.0042342600000000, 0.0039917100000000 ] - [ -0.0000595400000000, 0.0007343800000000, -0.0003765000000000 ] - [ 0.0050332900000000, 0.0069788400000000, -0.0040914200000000 ] - [ -0.0019894000000000, 0.0017077700000000, -0.0005432400000000 ] - [ 0.0011743300000000, 0.0000029700000000, 0.0039631500000000 ] - [ 0.0001354600000000, -0.0008237000000000, 0.0000014300000000 ] - [ 0.0000073000000000, -0.0007089700000000, -0.0010987100000000 ] - [ -0.0003546200000000, -0.0011240200000000, -0.0005302600000000 ] - [ 0.0012026700000000, -0.0046195100000000, 0.0016469000000000 ] - [ 0.0000822300000000, -0.0005739700000000, -0.0005336800000000 ] - [ 0.0003680700000000, 0.0034670900000000, 0.0011642300000000 ] - [ -0.0008012800000000, 0.0015545700000000, 0.0007060300000000 ] - [ 0.0004052600000000, -0.0009879200000000, -0.0002138900000000 ] - [ -0.0027106900000000, -0.0020320700000000, -0.0036991800000000 ] - [ 0.0032751300000000, 0.0056606700000000, -0.0021544500000000 ] - [ -0.0006257200000000, 0.0006841300000000, -0.0000950000000000 ]- atom: 57 displacement: [ -0.0050436217710434, 0.0000000000000000, 0.0086349220859633 ] forces: - [ -0.0022517500000000, -0.0005954000000000, 0.0034773600000000 ] - [ 0.0005098400000000, 0.0001590800000000, -0.0000870600000000 ] - [ 0.0010138800000000, 0.0005718700000000, -0.0005422200000000 ] - [ -0.0002187500000000, -0.0000864800000000, 0.0003269300000000 ] - [ -0.0027245400000000, -0.0007432900000000, 0.0016171400000000 ] - [ 0.0014530600000000, 0.0004625800000000, -0.0019933900000000 ] - [ 0.0022674600000000, 0.0010988200000000, -0.0017561400000000 ] - [ -0.0004930300000000, -0.0001973500000000, 0.0001118400000000 ] - [ 0.0007465200000000, -0.0007552900000000, 0.0001868900000000 ] - [ 0.0007511600000000, -0.0007167100000000, 0.0003465100000000 ] - [ -0.0099413800000000, 0.0035383500000000, 0.0081736800000000 ] - [ -0.0001199700000000, -0.0005419800000000, -0.0001991400000000 ] - [ -0.0000369500000000, 0.0006914900000000, 0.0001358700000000 ] - [ -0.0008519700000000, 0.0006142700000000, 0.0004607500000000 ] - [ -0.0010483300000000, 0.0003964300000000, -0.0027194800000000 ] - [ -0.0049782700000000, 0.0010867600000000, -0.0056568400000000 ] - [ -0.0101645100000000, 0.0032801900000000, 0.0062072800000000 ] - [ 0.0001523700000000, -0.0001810000000000, -0.0012657000000000 ] - [ 0.0003237200000000, -0.0016639000000000, -0.0005258800000000 ] - [ -0.0009730200000000, 0.0002685300000000, 0.0000964400000000 ] - [ -0.0008392700000000, 0.0003373600000000, 0.0028938300000000 ] - [ 0.0004081000000000, 0.0000033800000000, 0.0013569100000000 ] - [ 0.0009569900000000, -0.0010047000000000, 0.0001436700000000 ] - [ 0.0005023300000000, -0.0001550500000000, -0.0000836300000000 ] - [ 0.0004321500000000, -0.0003577100000000, -0.0008797100000000 ] - [ -0.0007296500000000, -0.0005256300000000, -0.0000880700000000 ] - [ -0.0022251900000000, 0.0007656600000000, 0.0039170100000000 ] - [ 0.0007045700000000, -0.0000415900000000, 0.0003975300000000 ] - [ 0.0011640100000000, 0.0009776500000000, -0.0011760600000000 ] - [ -0.0006232500000000, -0.0003302300000000, 0.0006147500000000 ] - [ -0.0029572100000000, 0.0007155500000000, 0.0007004500000000 ] - [ 0.0020878500000000, -0.0000183000000000, -0.0018216400000000 ] - [ -0.0013050500000000, 0.0013090500000000, 0.0006712700000000 ] - [ -0.0005498200000000, -0.0000243500000000, -0.0000027700000000 ] - [ -0.0014961500000000, -0.0013445400000000, 0.0004077900000000 ] - [ 0.0005365700000000, -0.0006579900000000, -0.0003685300000000 ] - [ -0.0012119500000000, -0.0001478300000000, -0.0007512000000000 ] - [ -0.0001824600000000, 0.0010770800000000, -0.0012617800000000 ] - [ 0.0020251700000000, 0.0029868400000000, 0.0009070000000000 ] - [ -0.0010612100000000, 0.0004144500000000, -0.0000399000000000 ] - [ 0.0019859800000000, -0.0008341600000000, -0.0031493000000000 ] - [ -0.0010647800000000, -0.0001037600000000, -0.0004555300000000 ] - [ 0.0000206500000000, -0.0003008600000000, 0.0020133700000000 ] - [ 0.0003573100000000, 0.0006735100000000, 0.0005189600000000 ] - [ -0.0016223600000000, 0.0086080300000000, -0.0000113300000000 ] - [ -0.0002674000000000, -0.0003587300000000, 0.0003901700000000 ] - [ -0.0002515100000000, -0.0004978100000000, 0.0006600000000000 ] - [ 0.0008121400000000, -0.0001184600000000, -0.0001409000000000 ] - [ 0.0019618400000000, -0.0019118900000000, -0.0001619600000000 ] - [ -0.0011824900000000, 0.0000906600000000, 0.0013513700000000 ] - [ -0.0007703600000000, -0.0006806400000000, 0.0010399100000000 ] - [ 0.0005558500000000, -0.0001267600000000, -0.0002790600000000 ] - [ 0.0049572700000000, -0.0014192800000000, -0.0069392100000000 ] - [ -0.0008136900000000, 0.0006339900000000, 0.0001269200000000 ] - [ -0.0008117100000000, 0.0005205700000000, 0.0002267500000000 ] - [ 0.0005978100000000, 0.0006149600000000, -0.0011018400000000 ] - [ 0.0866299900000000, 0.1217341000000000, -0.1808251500000000 ] - [ -0.0006710600000000, 0.0003500500000000, 0.0002584600000000 ] - [ -0.0009509100000000, -0.0001777400000000, 0.0001845600000000 ] - [ 0.0001193300000000, 0.0002639400000000, -0.0006551600000000 ] - [ 0.0052374500000000, 0.0011778000000000, 0.0105805500000000 ] - [ -0.0013578400000000, -0.0004327200000000, 0.0007899900000000 ] - [ -0.0004833000000000, -0.0004543100000000, 0.0012215800000000 ] - [ 0.0005068800000000, -0.0003510300000000, 0.0002357400000000 ] - [ 0.0004974600000000, -0.0001749500000000, 0.0035433700000000 ] - [ 0.0009878000000000, 0.0006491300000000, 0.0031500500000000 ] - [ -0.0005648900000000, -0.0003806900000000, 0.0002692600000000 ] - [ 0.0000606600000000, -0.0003422800000000, -0.0005318300000000 ] - [ 0.0036074500000000, -0.0092177800000000, 0.0213154800000000 ] - [ -0.0002651700000000, 0.0003668700000000, 0.0000983400000000 ] - [ -0.0003251800000000, 0.0002133900000000, -0.0004346600000000 ] - [ -0.0003089900000000, 0.0001288800000000, -0.0003074000000000 ] - [ 0.0008884700000000, -0.0038325400000000, 0.0060591400000000 ] - [ -0.0004048200000000, 0.0000876400000000, 0.0006170900000000 ] - [ 0.0000271700000000, 0.0006556900000000, 0.0007856700000000 ] - [ 0.0008167900000000, -0.0002216900000000, -0.0000169300000000 ] - [ -0.0139681900000000, -0.0235446000000000, 0.0002548200000000 ] - [ -0.0001325900000000, 0.0005233800000000, -0.0007940200000000 ] - [ 0.0008373300000000, -0.0000986900000000, 0.0014728900000000 ] - [ 0.0001181400000000, -0.0013293900000000, 0.0022265800000000 ] - [ -0.0009318000000000, 0.0000587500000000, 0.0006910400000000 ] - [ 0.0006847900000000, -0.0004332500000000, -0.0004758700000000 ] - [ -0.0035053800000000, -0.0148105200000000, 0.0002568400000000 ] - [ -0.0003736600000000, 0.0002123300000000, 0.0002016000000000 ] - [ 0.0012589900000000, 0.0003268500000000, -0.0017985800000000 ] - [ -0.0005618700000000, 0.0004669800000000, 0.0000427400000000 ] - [ -0.0009919600000000, 0.0007394400000000, 0.0012787800000000 ] - [ 0.0001551100000000, -0.0003038000000000, 0.0002308400000000 ] - [ -0.0015762200000000, -0.0004133000000000, 0.0001927600000000 ] - [ -0.0002954300000000, -0.0005652700000000, -0.0004394200000000 ] - [ 0.0011119700000000, 0.0007464200000000, -0.0023360800000000 ] - [ -0.0018042200000000, -0.0000814900000000, 0.0006695100000000 ] - [ -0.0009947900000000, -0.0031811300000000, 0.0090253900000000 ] - [ 0.0009206400000000, -0.0002856700000000, 0.0007662900000000 ] - [ 0.0023680000000000, -0.0015646600000000, -0.0019955200000000 ] - [ -0.0031616300000000, -0.0014370800000000, 0.0001187000000000 ] - [ 0.0007690000000000, -0.0007972400000000, 0.0010698100000000 ] - [ -0.0006923300000000, -0.0002647900000000, 0.0010910600000000 ] - [ -0.0306856700000000, -0.0817058100000000, 0.1025351000000000 ] - [ 0.0017618800000000, -0.0005218300000000, -0.0004055300000000 ] - [ 0.0015160000000000, 0.0001158500000000, -0.0014478100000000 ] - [ -0.0000673400000000, 0.0002752200000000, -0.0001203100000000 ] - [ -0.0035487100000000, 0.0036813300000000, -0.0049920300000000 ] - [ 0.0002783700000000, -0.0001121300000000, -0.0024253400000000 ] - [ 0.0078961400000000, 0.0031392600000000, 0.0012562600000000 ] - [ -0.0012265100000000, 0.0011705200000000, 0.0064589900000000 ] - [ -0.0013372300000000, 0.0008609200000000, 0.0003925300000000 ] - [ 0.0013866900000000, 0.0009271500000000, -0.0006460000000000 ] - [ -0.0007120000000000, 0.0013724700000000, 0.0004505700000000 ] - [ 0.0028344200000000, 0.0008075700000000, -0.0016280100000000 ] - [ 0.0017267600000000, -0.0012477900000000, -0.0088063900000000 ] - [ -0.0008493400000000, -0.0011801900000000, -0.0001209500000000 ] - [ 0.0003641900000000, -0.0000083000000000, -0.0014155500000000 ] - [ -0.0000732500000000, 0.0002663900000000, -0.0001969300000000 ] - [ -0.0069807300000000, -0.0023340700000000, 0.0140417100000000 ] - [ 0.0046148200000000, -0.0005711900000000, 0.0010023400000000 ] - [ 0.0006096100000000, -0.0000577600000000, -0.0013559000000000 ] - [ -0.0008800400000000, -0.0000453200000000, -0.0000688500000000 ] - [ -0.0188290700000000, -0.0047168500000000, 0.0243489900000000 ] - [ 0.0011697100000000, -0.0005244700000000, 0.0005062900000000 ] - [ -0.0076306500000000, -0.0013300300000000, 0.0108049500000000 ] - [ 0.0008422900000000, 0.0013736600000000, -0.0000483300000000 ] - [ 0.0042600800000000, 0.0053273300000000, -0.0026327400000000 ] - [ -0.0003034200000000, 0.0007520100000000, 0.0013365200000000 ] - [ -0.0016193200000000, -0.0053539500000000, -0.0026639200000000 ] - [ 0.0005606100000000, -0.0008564400000000, -0.0008826800000000 ] - [ 0.0019665600000000, 0.0010318800000000, -0.0038772600000000 ] - [ -0.0010382800000000, -0.0009474200000000, -0.0007194500000000 ] - [ 0.0032393600000000, -0.0045331800000000, -0.0090592300000000 ] - [ -0.0007036000000000, 0.0003307200000000, -0.0009243400000000 ] - [ -0.0008217200000000, 0.0008156500000000, 0.0024034200000000 ] - [ 0.0007311900000000, -0.0002029000000000, 0.0000714200000000 ] - [ 0.0017209000000000, -0.0005638400000000, -0.0031222100000000 ] - [ -0.0079385700000000, 0.0016014900000000, -0.0027664400000000 ] - [ 0.0004688500000000, 0.0034369500000000, 0.0003826900000000 ] - [ 0.0004992600000000, 0.0000666800000000, 0.0002260800000000 ]- atom: 57 displacement: [ 0.0050436217710434, 0.0000000000000000, -0.0086349220859633 ] forces: - [ 0.0019278200000000, 0.0006704500000000, -0.0033350000000000 ] - [ -0.0008232500000000, -0.0000735000000000, 0.0001982300000000 ] - [ -0.0006876700000000, -0.0004855400000000, 0.0004170000000000 ] - [ 0.0005325100000000, 0.0001703500000000, -0.0004440200000000 ] - [ 0.0030267300000000, 0.0006668400000000, -0.0017174300000000 ] - [ -0.0011295900000000, -0.0005390900000000, 0.0018691300000000 ] - [ -0.0025679500000000, -0.0011763900000000, 0.0018620400000000 ] - [ 0.0001726500000000, 0.0001117300000000, 0.0000076400000000 ] - [ 0.0004652800000000, -0.0005356000000000, -0.0007824200000000 ] - [ 0.0004563800000000, -0.0005741200000000, -0.0009362000000000 ] - [ 0.0085887100000000, -0.0047586600000000, -0.0074733900000000 ] - [ -0.0011172500000000, -0.0007446100000000, 0.0007552100000000 ] - [ -0.0011691300000000, 0.0005959700000000, 0.0004659600000000 ] - [ -0.0003570800000000, 0.0006754400000000, 0.0001364200000000 ] - [ 0.0022345800000000, 0.0009017000000000, 0.0021400100000000 ] - [ 0.0061531400000000, 0.0002084500000000, 0.0049895800000000 ] - [ 0.0114612300000000, -0.0030560600000000, -0.0067097000000000 ] - [ 0.0010233200000000, 0.0004606400000000, 0.0008079900000000 ] - [ -0.0015021500000000, 0.0019378800000000, 0.0009716800000000 ] - [ -0.0002077000000000, 0.0000145600000000, 0.0003511300000000 ] - [ -0.0003255700000000, -0.0006081000000000, -0.0024222200000000 ] - [ -0.0015939600000000, -0.0002881900000000, -0.0009139900000000 ] - [ 0.0002310000000000, 0.0007114300000000, -0.0005944100000000 ] - [ 0.0006722400000000, -0.0001268200000000, -0.0003651200000000 ] - [ -0.0004198200000000, 0.0002730200000000, -0.0001063100000000 ] - [ 0.0007267400000000, 0.0004260700000000, -0.0008845300000000 ] - [ 0.0022087300000000, -0.0008419500000000, -0.0029165700000000 ] - [ -0.0007034500000000, -0.0000520200000000, 0.0005733500000000 ] - [ -0.0011605400000000, -0.0008959400000000, 0.0021291600000000 ] - [ 0.0006130300000000, 0.0004198900000000, 0.0003617900000000 ] - [ 0.0029637200000000, -0.0006182100000000, -0.0016675700000000 ] - [ -0.0020695800000000, 0.0001081100000000, 0.0008438600000000 ] - [ 0.0002014600000000, -0.0011050800000000, -0.0003285000000000 ] - [ -0.0005267100000000, 0.0002067900000000, 0.0003206300000000 ] - [ 0.0009619600000000, 0.0004806500000000, -0.0010270300000000 ] - [ -0.0010722900000000, -0.0001854200000000, -0.0002622300000000 ] - [ 0.0017268600000000, 0.0009915900000000, 0.0013671600000000 ] - [ 0.0007231900000000, -0.0002291600000000, 0.0018620600000000 ] - [ -0.0025475400000000, -0.0021416800000000, -0.0015059900000000 ] - [ 0.0005320000000000, 0.0004324700000000, -0.0005778000000000 ] - [ -0.0022672400000000, 0.0018711600000000, 0.0021168600000000 ] - [ 0.0007965700000000, 0.0010835500000000, -0.0005197100000000 ] - [ 0.0002405600000000, 0.0012910100000000, -0.0010263100000000 ] - [ -0.0000958100000000, 0.0003140600000000, 0.0004513500000000 ] - [ 0.0018771900000000, -0.0094881800000000, 0.0009553800000000 ] - [ 0.0005189900000000, -0.0006276900000000, 0.0005775400000000 ] - [ -0.0000051300000000, -0.0004931400000000, -0.0016195400000000 ] - [ -0.0010680600000000, -0.0008667400000000, -0.0008283200000000 ] - [ -0.0021358800000000, 0.0011886500000000, 0.0003003500000000 ] - [ 0.0009728100000000, -0.0008013900000000, -0.0011929800000000 ] - [ 0.0009677700000000, -0.0000240800000000, -0.0011891800000000 ] - [ -0.0003537400000000, -0.0005813500000000, 0.0001211100000000 ] - [ -0.0046751300000000, 0.0019796900000000, 0.0068098200000000 ] - [ 0.0010059500000000, 0.0000784700000000, -0.0002779300000000 ] - [ 0.0006044800000000, 0.0001845400000000, -0.0000670300000000 ] - [ -0.0007927900000000, 0.0000952600000000, 0.0012502500000000 ] - [ -0.0843383000000000, -0.1254506200000000, 0.1822956200000000 ] - [ 0.0010306600000000, 0.0003095900000000, 0.0003100600000000 ] - [ 0.0005741500000000, 0.0008348800000000, -0.0007459000000000 ] - [ -0.0004845800000000, 0.0003942200000000, 0.0000847700000000 ] - [ -0.0055039900000000, -0.0017943000000000, -0.0110374200000000 ] - [ 0.0009745800000000, -0.0002269600000000, -0.0013560100000000 ] - [ 0.0008483400000000, -0.0002085800000000, -0.0006457600000000 ] - [ -0.0001372300000000, -0.0003083000000000, 0.0003316300000000 ] - [ -0.0005474600000000, -0.0002907100000000, -0.0030042100000000 ] - [ -0.0010549900000000, -0.0011170100000000, -0.0026301100000000 ] - [ 0.0006250200000000, -0.0000865700000000, -0.0007863900000000 ] - [ -0.0000013300000000, -0.0001249100000000, 0.0000123000000000 ] - [ -0.0036121400000000, 0.0098402800000000, -0.0220819800000000 ] - [ 0.0003274800000000, 0.0001012000000000, -0.0006116200000000 ] - [ 0.0002578400000000, 0.0002540900000000, 0.0009488400000000 ] - [ 0.0002477900000000, 0.0003359500000000, 0.0008184900000000 ] - [ -0.0019235500000000, 0.0036031000000000, -0.0056716700000000 ] - [ -0.0006814200000000, -0.0002731300000000, -0.0002992800000000 ] - [ 0.0010515600000000, -0.0008348000000000, -0.0011003700000000 ] - [ 0.0002593200000000, 0.0000383300000000, -0.0003012400000000 ] - [ 0.0150192700000000, 0.0238658300000000, -0.0004084900000000 ] - [ 0.0012055000000000, -0.0003326600000000, 0.0004671500000000 ] - [ -0.0003025400000000, -0.0007456700000000, -0.0008480800000000 ] - [ 0.0004040300000000, 0.0004862300000000, -0.0016053100000000 ] - [ 0.0011065200000000, 0.0002093900000000, -0.0010528900000000 ] - [ -0.0004980800000000, 0.0006978800000000, 0.0001150700000000 ] - [ 0.0033050400000000, 0.0149097200000000, 0.0000561000000000 ] - [ 0.0001886900000000, 0.0000543400000000, 0.0001681500000000 ] - [ -0.0010671000000000, -0.0006077100000000, 0.0014130000000000 ] - [ 0.0007373900000000, -0.0007249700000000, -0.0004122000000000 ] - [ 0.0008058000000000, -0.0010108700000000, -0.0009021900000000 ] - [ -0.0003338000000000, 0.0000362500000000, 0.0001371400000000 ] - [ 0.0001390200000000, -0.0012325500000000, 0.0007153100000000 ] - [ -0.0011180300000000, -0.0010811000000000, 0.0013356000000000 ] - [ -0.0025769000000000, -0.0001505200000000, 0.0037285400000000 ] - [ 0.0003222500000000, 0.0006965800000000, 0.0007410100000000 ] - [ -0.0005227100000000, 0.0025891400000000, -0.0074775700000000 ] - [ -0.0023754200000000, -0.0003332000000000, 0.0006407200000000 ] - [ -0.0008908400000000, 0.0009490000000000, 0.0005750100000000 ] - [ 0.0046163600000000, 0.0008112600000000, -0.0015288600000000 ] - [ -0.0017420100000000, 0.0001990600000000, -0.0004452800000000 ] - [ -0.0003027100000000, -0.0003306000000000, -0.0004629300000000 ] - [ 0.0314533500000000, 0.0856442900000000, -0.1058929200000000 ] - [ -0.0007602200000000, -0.0000781300000000, -0.0002179600000000 ] - [ -0.0005233000000000, 0.0004769000000000, 0.0008222900000000 ] - [ 0.0010593500000000, 0.0003210800000000, -0.0004975500000000 ] - [ 0.0025000200000000, -0.0030764100000000, 0.0055894100000000 ] - [ -0.0012529400000000, 0.0007111200000000, 0.0030429200000000 ] - [ -0.0093081600000000, -0.0015151300000000, -0.0003871700000000 ] - [ -0.0002088200000000, 0.0004801900000000, -0.0055159000000000 ] - [ 0.0027525400000000, 0.0007955600000000, -0.0012978000000000 ] - [ 0.0000397800000000, 0.0007230100000000, -0.0002582400000000 ] - [ 0.0021792700000000, -0.0007667300000000, -0.0018064400000000 ] - [ -0.0013422200000000, -0.0001775700000000, 0.0002189300000000 ] - [ -0.0003123100000000, -0.0004120200000000, 0.0078191900000000 ] - [ 0.0022714400000000, -0.0004638900000000, -0.0007568500000000 ] - [ -0.0000867600000000, 0.0004719100000000, 0.0012480900000000 ] - [ 0.0003456100000000, 0.0001977800000000, 0.0000504700000000 ] - [ 0.0067977800000000, 0.0028079700000000, -0.0137492600000000 ] - [ -0.0048403300000000, 0.0010233700000000, -0.0008276900000000 ] - [ -0.0008812300000000, -0.0004030800000000, 0.0014922500000000 ] - [ 0.0006027800000000, -0.0004155900000000, 0.0002100500000000 ] - [ 0.0173196300000000, 0.0040937400000000, -0.0228118500000000 ] - [ -0.0008687400000000, 0.0000580400000000, -0.0006513500000000 ] - [ 0.0073284000000000, 0.0030403600000000, -0.0115317500000000 ] - [ -0.0011520700000000, 0.0005274200000000, -0.0006631100000000 ] - [ -0.0039162800000000, -0.0034033200000000, 0.0033167600000000 ] - [ 0.0006090500000000, 0.0011413100000000, -0.0006194400000000 ] - [ 0.0019111900000000, 0.0034273200000000, 0.0033774600000000 ] - [ -0.0002299900000000, -0.0010433600000000, 0.0015971000000000 ] - [ -0.0022735700000000, -0.0028956000000000, 0.0031358200000000 ] - [ 0.0007215900000000, -0.0009488400000000, 0.0000078500000000 ] - [ -0.0028012700000000, 0.0048107000000000, 0.0086857000000000 ] - [ 0.0011165200000000, -0.0000625700000000, 0.0005711800000000 ] - [ 0.0003991100000000, -0.0005415500000000, -0.0020376000000000 ] - [ -0.0011528700000000, 0.0004668000000000, 0.0002886800000000 ] - [ -0.0021409500000000, 0.0002901500000000, 0.0034502500000000 ] - [ 0.0075217500000000, -0.0018768300000000, 0.0030975600000000 ] - [ -0.0000557800000000, -0.0036777600000000, -0.0007206700000000 ] - [ -0.0000654300000000, -0.0003329500000000, -0.0005784400000000 ]- atom: 65 displacement: [ 0.0099999999206514, 0.0000000000000000, 0.0000012597509720 ] forces: - [ 0.0038887800000000, 0.0008486800000000, -0.0001442000000000 ] - [ 0.0050767700000000, 0.0002699400000000, -0.0036567700000000 ] - [ -0.0009223300000000, -0.0009056600000000, 0.0001149100000000 ] - [ 0.0006382400000000, 0.0000947700000000, -0.0000621000000000 ] - [ 0.0026424900000000, -0.0002231600000000, -0.0027354800000000 ] - [ 0.0013828600000000, 0.0009608900000000, 0.0004269800000000 ] - [ -0.0003153500000000, 0.0000287300000000, 0.0001681500000000 ] - [ -0.0003568000000000, -0.0006242800000000, 0.0001057300000000 ] - [ -0.0010296900000000, -0.0011298300000000, -0.0003918700000000 ] - [ 0.0014229200000000, -0.0006754900000000, -0.0000661200000000 ] - [ 0.0018088900000000, -0.0004239700000000, 0.0031178900000000 ] - [ -0.0003422500000000, -0.0001864600000000, -0.0024083300000000 ] - [ -0.0000003500000000, 0.0006150100000000, 0.0004893500000000 ] - [ -0.0017088000000000, 0.0003280000000000, 0.0000343600000000 ] - [ 0.0002764200000000, 0.0005391600000000, -0.0027022100000000 ] - [ 0.0028743700000000, 0.0013275500000000, 0.0025273600000000 ] - [ 0.0017922800000000, 0.0006933600000000, -0.0011308700000000 ] - [ 0.0053909800000000, 0.0015236600000000, 0.0095892800000000 ] - [ -0.0004376600000000, -0.0000916200000000, -0.0001802800000000 ] - [ -0.0006297700000000, 0.0001801300000000, 0.0005703200000000 ] - [ 0.0091070100000000, -0.0083011100000000, 0.0060836900000000 ] - [ 0.0018116200000000, 0.0009016400000000, -0.0002498500000000 ] - [ -0.0009566200000000, 0.0011578700000000, 0.0001705200000000 ] - [ 0.0015182800000000, -0.0006567500000000, -0.0004845600000000 ] - [ -0.0009624900000000, -0.0032606400000000, -0.0013167300000000 ] - [ 0.0007722700000000, 0.0002469700000000, -0.0004046800000000 ] - [ 0.0026305500000000, -0.0011056000000000, -0.0002862400000000 ] - [ 0.0034354900000000, 0.0065712100000000, -0.0003678900000000 ] - [ 0.0001107500000000, -0.0000728300000000, 0.0007332800000000 ] - [ -0.0002570200000000, -0.0001897900000000, 0.0003637900000000 ] - [ 0.0016098600000000, 0.0022130500000000, -0.0066383900000000 ] - [ 0.0015257800000000, -0.0002695800000000, -0.0003290400000000 ] - [ -0.0004199400000000, 0.0000860500000000, -0.0002841900000000 ] - [ -0.0001772500000000, -0.0007645700000000, 0.0007611900000000 ] - [ 0.0015100100000000, 0.0001442900000000, 0.0008091400000000 ] - [ 0.0009601000000000, -0.0013965200000000, -0.0016555200000000 ] - [ -0.0002151400000000, 0.0003139700000000, -0.0004628300000000 ] - [ 0.0009123300000000, 0.0003941800000000, 0.0010013500000000 ] - [ 0.0009290700000000, 0.0007115100000000, -0.0004163700000000 ] - [ -0.0058366800000000, -0.0019000500000000, 0.0020685400000000 ] - [ -0.0007759500000000, 0.0011560500000000, -0.0042325900000000 ] - [ 0.0006728000000000, 0.0002616700000000, 0.0009609200000000 ] - [ 0.0007017800000000, 0.0000648200000000, 0.0003730600000000 ] - [ -0.0004182400000000, 0.0012548900000000, 0.0008241100000000 ] - [ 0.0000649600000000, -0.0012249700000000, 0.0014921100000000 ] - [ 0.0001323300000000, -0.0001602400000000, 0.0000822100000000 ] - [ -0.0011206300000000, 0.0018849300000000, -0.0023286500000000 ] - [ 0.0008276700000000, -0.0008950500000000, 0.0001769800000000 ] - [ 0.0053534300000000, -0.0172344300000000, -0.0219861000000000 ] - [ 0.0011097800000000, -0.0004647100000000, 0.0004815800000000 ] - [ 0.0006969800000000, -0.0008235200000000, 0.0001667800000000 ] - [ -0.0003265500000000, 0.0006812900000000, -0.0006881700000000 ] - [ 0.0005545600000000, 0.0003077500000000, 0.0003470300000000 ] - [ -0.0014306900000000, 0.0010911800000000, -0.0002805500000000 ] - [ -0.0008183200000000, 0.0009888200000000, -0.0008727500000000 ] - [ 0.0004266700000000, 0.0001480200000000, 0.0005885200000000 ] - [ -0.0002763100000000, 0.0003627400000000, 0.0006318600000000 ] - [ -0.0003241400000000, 0.0006307200000000, 0.0011768800000000 ] - [ 0.0000009200000000, -0.0000824200000000, -0.0008659600000000 ] - [ 0.0002137000000000, 0.0001907800000000, -0.0000169700000000 ] - [ -0.0075178900000000, -0.0000298900000000, -0.0002979000000000 ] - [ 0.0005931100000000, -0.0002279700000000, -0.0001735500000000 ] - [ 0.0005987000000000, 0.0001205700000000, 0.0001866700000000 ] - [ 0.0005550600000000, -0.0010935600000000, 0.0001760100000000 ] - [ -0.1081694200000000, 0.0339467400000000, -0.0237762300000000 ] - [ 0.0013980400000000, -0.0004029700000000, 0.0006364500000000 ] - [ 0.0004145200000000, -0.0003063900000000, 0.0004261400000000 ] - [ -0.0000018900000000, -0.0003955700000000, -0.0008077600000000 ] - [ 0.0010636100000000, -0.0000625400000000, -0.0001946400000000 ] - [ -0.0059877400000000, 0.0066915100000000, 0.0063959100000000 ] - [ -0.0002058900000000, 0.0001128400000000, -0.0006326600000000 ] - [ 0.0004741500000000, 0.0001206700000000, 0.0011451600000000 ] - [ 0.0046903000000000, 0.0064689100000000, 0.0192099900000000 ] - [ 0.0009112600000000, 0.0001810800000000, -0.0003042200000000 ] - [ 0.0001979100000000, -0.0012138400000000, 0.0000122200000000 ] - [ 0.0010811300000000, -0.0000999500000000, -0.0002418200000000 ] - [ 0.0008819300000000, 0.0001893200000000, -0.0007150200000000 ] - [ 0.0007030000000000, 0.0006531400000000, 0.0008140800000000 ] - [ -0.0043316200000000, -0.0003132000000000, 0.0007580600000000 ] - [ 0.0017617600000000, -0.0003948700000000, 0.0004666700000000 ] - [ 0.0013664600000000, -0.0042410400000000, -0.0010145800000000 ] - [ 0.0004509600000000, 0.0002734800000000, -0.0001531000000000 ] - [ -0.0001788400000000, 0.0008190000000000, 0.0017114400000000 ] - [ -0.0002844400000000, 0.0000870000000000, 0.0000704100000000 ] - [ -0.0005568700000000, -0.0001633200000000, -0.0001472700000000 ] - [ 0.0004596500000000, -0.0001104000000000, 0.0000216800000000 ] - [ 0.0007001100000000, 0.0003727900000000, -0.0002313600000000 ] - [ 0.0010450100000000, -0.0043213000000000, -0.0003504900000000 ] - [ 0.0025013200000000, 0.0002616500000000, 0.0002344100000000 ] - [ -0.0018927900000000, -0.0006918400000000, 0.0002570900000000 ] - [ -0.0030206500000000, 0.0018232200000000, 0.0007999200000000 ] - [ 0.0036691300000000, -0.0051303100000000, 0.0008330400000000 ] - [ -0.0016065600000000, 0.0001354200000000, -0.0004599600000000 ] - [ -0.0000141000000000, -0.0002572100000000, 0.0014893200000000 ] - [ 0.0067272300000000, -0.0042961000000000, 0.0033388900000000 ] - [ -0.0011205500000000, 0.0002800300000000, -0.0014704300000000 ] - [ -0.0005967300000000, -0.0002680200000000, 0.0017052300000000 ] - [ -0.0014622600000000, 0.0003409900000000, -0.0008216100000000 ] - [ -0.0001640700000000, -0.0000646400000000, -0.0005182700000000 ] - [ 0.0021249000000000, -0.0019417900000000, -0.0024354300000000 ] - [ -0.0000769600000000, 0.0009289900000000, -0.0011553500000000 ] - [ -0.0000839100000000, 0.0004054400000000, 0.0003362700000000 ] - [ 0.0378596600000000, 0.0012768300000000, 0.0088740900000000 ] - [ -0.0026245000000000, 0.0003449800000000, -0.0001311800000000 ] - [ -0.0027905500000000, 0.0009067300000000, 0.0042765400000000 ] - [ -0.0059251700000000, -0.0015465000000000, -0.0013201400000000 ] - [ 0.0004999600000000, 0.0009365000000000, -0.0006977600000000 ] - [ 0.0011406400000000, 0.0012734200000000, -0.0001671100000000 ] - [ -0.0017102200000000, 0.0037260800000000, 0.0056257400000000 ] - [ -0.0014207600000000, 0.0004592100000000, -0.0018130200000000 ] - [ -0.0075521300000000, -0.0019392300000000, -0.0023127700000000 ] - [ -0.0036579300000000, -0.0031251100000000, 0.0037505300000000 ] - [ -0.0010385400000000, 0.0001054200000000, 0.0003146100000000 ] - [ 0.0013101700000000, 0.0025198400000000, -0.0008447700000000 ] - [ 0.0012097100000000, -0.0010787100000000, 0.0022722500000000 ] - [ -0.0017618700000000, -0.0000976400000000, -0.0026133900000000 ] - [ 0.0017189300000000, 0.0005504800000000, 0.0001549700000000 ] - [ -0.0013594100000000, 0.0000180300000000, -0.0002126600000000 ] - [ -0.0007208000000000, 0.0022542600000000, -0.0060172800000000 ] - [ 0.0000384900000000, -0.0005601800000000, 0.0013610500000000 ] - [ 0.0003287600000000, 0.0006082000000000, 0.0004173700000000 ] - [ 0.0010792400000000, 0.0025503400000000, -0.0029908000000000 ] - [ -0.0010209300000000, 0.0021698400000000, 0.0022411200000000 ] - [ -0.0003671600000000, 0.0000556700000000, -0.0008214100000000 ] - [ 0.0041000800000000, 0.0018394000000000, -0.0018197400000000 ] - [ -0.0011991200000000, -0.0014285400000000, 0.0005181300000000 ] - [ -0.0040687300000000, -0.0074945800000000, -0.0001972300000000 ] - [ -0.0034282700000000, 0.0015649400000000, 0.0008535100000000 ] - [ -0.0033144600000000, -0.0002697600000000, 0.0009051200000000 ] - [ 0.0401886100000000, -0.0107777000000000, 0.0103673600000000 ] - [ 0.0004256500000000, 0.0008164300000000, 0.0011966300000000 ] - [ -0.0010453000000000, 0.0001672300000000, -0.0007224900000000 ] - [ 0.0163440300000000, -0.0087927800000000, -0.0032804400000000 ] - [ -0.0029749200000000, -0.0005620000000000, -0.0003576200000000 ] - [ -0.0001498300000000, -0.0012275300000000, -0.0015806300000000 ] - [ 0.0000658700000000, 0.0004593200000000, 0.0008564100000000 ]- atom: 65 displacement: [ -0.0099999999206514, 0.0000000000000000, -0.0000012597509720 ] forces: - [ -0.0042180300000000, -0.0007713400000000, 0.0002485200000000 ] - [ -0.0053454900000000, -0.0001850600000000, 0.0037188400000000 ] - [ 0.0012356800000000, 0.0009867600000000, -0.0002322500000000 ] - [ -0.0003196000000000, -0.0000097200000000, -0.0000563700000000 ] - [ -0.0023226400000000, 0.0001452100000000, 0.0026131000000000 ] - [ -0.0010535400000000, -0.0010309200000000, -0.0005427800000000 ] - [ -0.0000001600000000, -0.0001096300000000, -0.0000465900000000 ] - [ 0.0000353000000000, 0.0005352100000000, 0.0000146000000000 ] - [ 0.0022305900000000, -0.0001596700000000, -0.0002132400000000 ] - [ -0.0002107700000000, -0.0006149400000000, -0.0005281800000000 ] - [ -0.0030046800000000, -0.0008725200000000, -0.0025259700000000 ] - [ -0.0008850200000000, -0.0011035000000000, 0.0029791000000000 ] - [ -0.0012043100000000, 0.0006752800000000, 0.0001101600000000 ] - [ 0.0004941500000000, 0.0009612000000000, 0.0005574100000000 ] - [ 0.0009180300000000, 0.0007548800000000, 0.0021136600000000 ] - [ -0.0016352400000000, -0.0000293900000000, -0.0030920100000000 ] - [ -0.0006149500000000, -0.0004112400000000, 0.0006876000000000 ] - [ -0.0041406000000000, -0.0012229100000000, -0.0098947400000000 ] - [ -0.0007412700000000, 0.0003733800000000, 0.0006314700000000 ] - [ -0.0005498900000000, 0.0001031400000000, -0.0001192200000000 ] - [ -0.0103588900000000, 0.0081323300000000, -0.0057214300000000 ] - [ -0.0029791200000000, -0.0011760900000000, 0.0006910400000000 ] - [ 0.0021375500000000, -0.0014303800000000, -0.0006179000000000 ] - [ -0.0003373400000000, 0.0003719000000000, 0.0000318300000000 ] - [ 0.0009651000000000, 0.0031757700000000, 0.0003435200000000 ] - [ -0.0007631300000000, -0.0003385100000000, -0.0005699200000000 ] - [ -0.0026337600000000, 0.0010132200000000, 0.0012622900000000 ] - [ -0.0034012900000000, -0.0065837600000000, 0.0013282600000000 ] - [ -0.0001134500000000, 0.0001637700000000, 0.0002448000000000 ] - [ 0.0002491400000000, 0.0002828500000000, 0.0006121000000000 ] - [ -0.0016179700000000, -0.0021308000000000, 0.0057010500000000 ] - [ -0.0015040400000000, 0.0003580200000000, -0.0006467000000000 ] - [ -0.0006592700000000, 0.0001000000000000, 0.0006057600000000 ] - [ -0.0008983600000000, 0.0009385400000000, -0.0004383500000000 ] - [ -0.0020213900000000, -0.0009906400000000, -0.0014233300000000 ] - [ -0.0015125700000000, 0.0005566900000000, 0.0010344500000000 ] - [ 0.0007347400000000, 0.0005358200000000, 0.0010833800000000 ] - [ -0.0003760400000000, 0.0004537300000000, -0.0003761300000000 ] - [ -0.0014475300000000, 0.0001364400000000, -0.0001971600000000 ] - [ 0.0052569800000000, 0.0027353200000000, -0.0026981600000000 ] - [ 0.0005131400000000, -0.0001586700000000, 0.0032771800000000 ] - [ -0.0009270900000000, 0.0007202300000000, -0.0019206100000000 ] - [ -0.0004411700000000, 0.0009228500000000, 0.0005989300000000 ] - [ 0.0006681500000000, -0.0002641400000000, 0.0001422100000000 ] - [ 0.0002071300000000, 0.0002259200000000, -0.0005108100000000 ] - [ 0.0001235800000000, -0.0008246100000000, 0.0008886000000000 ] - [ 0.0008626000000000, -0.0028711700000000, 0.0013438300000000 ] - [ -0.0010807600000000, -0.0000956000000000, -0.0011457400000000 ] - [ -0.0056558500000000, 0.0164447800000000, 0.0220637600000000 ] - [ -0.0013045100000000, -0.0002474200000000, -0.0003266700000000 ] - [ -0.0004938300000000, 0.0001175400000000, -0.0003209800000000 ] - [ 0.0005183900000000, -0.0013837900000000, 0.0005271100000000 ] - [ -0.0003494300000000, 0.0004000200000000, -0.0004950300000000 ] - [ 0.0016208200000000, -0.0003730000000000, 0.0001361500000000 ] - [ 0.0006109000000000, -0.0002842500000000, 0.0010254700000000 ] - [ -0.0006213700000000, 0.0005579800000000, -0.0004305100000000 ] - [ 0.0006471900000000, 0.0002961000000000, -0.0000394700000000 ] - [ 0.0006858500000000, 0.0000302000000000, -0.0005996900000000 ] - [ -0.0003695200000000, 0.0007421400000000, 0.0002958200000000 ] - [ -0.0005789600000000, 0.0004667500000000, -0.0005513000000000 ] - [ 0.0071525700000000, -0.0006644500000000, -0.0000949200000000 ] - [ -0.0009603300000000, -0.0004310800000000, -0.0003944000000000 ] - [ -0.0002262300000000, -0.0007762800000000, 0.0003803900000000 ] - [ -0.0001861100000000, 0.0004279400000000, 0.0003882900000000 ] - [ 0.1061825300000000, -0.0343994200000000, 0.0216203100000000 ] - [ -0.0014535500000000, -0.0000650900000000, -0.0001192800000000 ] - [ -0.0003474300000000, -0.0001587200000000, -0.0009401300000000 ] - [ 0.0000593200000000, -0.0000708700000000, 0.0002871800000000 ] - [ -0.0009970000000000, 0.0005294000000000, -0.0003119000000000 ] - [ 0.0060114800000000, -0.0061780700000000, -0.0068739800000000 ] - [ 0.0001398800000000, 0.0003536900000000, 0.0011499300000000 ] - [ -0.0005301800000000, 0.0003451400000000, -0.0006222400000000 ] - [ -0.0057306100000000, -0.0067165100000000, -0.0189692200000000 ] - [ -0.0019838300000000, -0.0003659100000000, 0.0006179000000000 ] - [ 0.0008880100000000, 0.0010274400000000, -0.0003349300000000 ] - [ -0.0000033900000000, -0.0000837600000000, -0.0000796700000000 ] - [ 0.0001953300000000, -0.0000102100000000, 0.0004045700000000 ] - [ 0.0003762300000000, -0.0004614800000000, -0.0011277100000000 ] - [ 0.0048333400000000, -0.0005726700000000, -0.0001525300000000 ] - [ -0.0012288000000000, -0.0004515700000000, 0.0001533700000000 ] - [ -0.0011914900000000, 0.0045078100000000, 0.0006412900000000 ] - [ -0.0002676800000000, -0.0000050500000000, -0.0002157000000000 ] - [ 0.0000005800000000, -0.0005465800000000, -0.0013351000000000 ] - [ 0.0000985700000000, 0.0001773900000000, 0.0003000700000000 ] - [ 0.0007287000000000, -0.0001167000000000, -0.0002178700000000 ] - [ -0.0002771300000000, -0.0001538500000000, -0.0003894400000000 ] - [ -0.0008767400000000, -0.0006408900000000, 0.0005983000000000 ] - [ -0.0012213900000000, 0.0040074900000000, 0.0006971100000000 ] - [ -0.0039198100000000, -0.0019206000000000, 0.0006756800000000 ] - [ 0.0004679200000000, -0.0009570500000000, 0.0006439700000000 ] - [ 0.0015431500000000, -0.0012076700000000, 0.0006055600000000 ] - [ -0.0050833600000000, 0.0057197500000000, 0.0005840900000000 ] - [ 0.0001227700000000, -0.0007478100000000, 0.0018532200000000 ] - [ -0.0014468800000000, -0.0003659200000000, -0.0000856300000000 ] - [ -0.0052431700000000, 0.0036780000000000, -0.0047146100000000 ] - [ 0.0025754700000000, -0.0008883400000000, 0.0000578700000000 ] - [ -0.0003901000000000, -0.0003276000000000, -0.0010830200000000 ] - [ 0.0004616500000000, -0.0009299200000000, 0.0014348800000000 ] - [ 0.0011499700000000, -0.0005233100000000, -0.0001227300000000 ] - [ -0.0011272100000000, 0.0013355700000000, 0.0017996300000000 ] - [ 0.0010597400000000, -0.0003363600000000, 0.0005306400000000 ] - [ 0.0010778200000000, 0.0001921900000000, -0.0009505200000000 ] - [ -0.0386502000000000, -0.0003924200000000, -0.0071272800000000 ] - [ 0.0016257300000000, 0.0002532900000000, 0.0007527500000000 ] - [ 0.0013780400000000, 0.0007384000000000, -0.0033820100000000 ] - [ 0.0044422600000000, 0.0031656600000000, 0.0022053800000000 ] - [ 0.0009191600000000, 0.0007113800000000, -0.0002115000000000 ] - [ 0.0002843200000000, 0.0003770700000000, -0.0007338200000000 ] - [ 0.0032169200000000, -0.0031621300000000, -0.0070903200000000 ] - [ 0.0028758500000000, 0.0001650200000000, 0.0003986200000000 ] - [ 0.0089701600000000, 0.0002988600000000, 0.0014227800000000 ] - [ 0.0050627200000000, 0.0014511300000000, -0.0046024100000000 ] - [ 0.0013059500000000, 0.0003564700000000, -0.0004634500000000 ] - [ -0.0010235400000000, -0.0020356100000000, 0.0007002300000000 ] - [ -0.0014237500000000, 0.0015466900000000, -0.0021663700000000 ] - [ 0.0014809600000000, 0.0005550800000000, 0.0027413900000000 ] - [ -0.0019903400000000, -0.0010167200000000, 0.0000014500000000 ] - [ 0.0010792700000000, -0.0004799100000000, 0.0003591000000000 ] - [ 0.0009324900000000, -0.0027048200000000, 0.0058195500000000 ] - [ 0.0002473300000000, 0.0000969700000000, -0.0015067200000000 ] - [ -0.0006506400000000, 0.0012791900000000, -0.0011521600000000 ] - [ -0.0013772700000000, -0.0006310900000000, 0.0022506000000000 ] - [ 0.0013443200000000, -0.0002725600000000, -0.0015296500000000 ] - [ 0.0006825900000000, 0.0018289100000000, 0.0015296800000000 ] - [ -0.0038104200000000, -0.0036827800000000, 0.0025399200000000 ] - [ 0.0015139300000000, -0.0004724900000000, 0.0001982600000000 ] - [ 0.0037170300000000, 0.0055875200000000, -0.0004892400000000 ] - [ 0.0030992100000000, -0.0034390200000000, -0.0015399000000000 ] - [ 0.0037339100000000, 0.0005367300000000, -0.0012650300000000 ] - [ -0.0378923000000000, 0.0104145900000000, -0.0094782000000000 ] - [ -0.0008371000000000, -0.0005479300000000, -0.0008470900000000 ] - [ 0.0006150800000000, 0.0000971000000000, 0.0010712900000000 ] - [ -0.0167885400000000, 0.0088906400000000, 0.0039634700000000 ] - [ 0.0025322100000000, 0.0002905600000000, 0.0007070700000000 ] - [ 0.0005609100000000, 0.0009538300000000, 0.0012156700000000 ] - [ 0.0003689800000000, -0.0007259600000000, -0.0012114800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003094100000000, -0.0025284800000000, -0.0002707500000000 ] - [ -0.0017655800000000, -0.0019439400000000, 0.0010828700000000 ] - [ 0.0005456500000000, 0.0023128300000000, -0.0003105600000000 ] - [ 0.0001208900000000, 0.0004446000000000, -0.0000565200000000 ] - [ -0.0051317100000000, -0.0026177500000000, 0.0043174100000000 ] - [ 0.0002695000000000, -0.0007958800000000, 0.0001166200000000 ] - [ -0.0001795700000000, 0.0005235400000000, 0.0003824500000000 ] - [ -0.0001879400000000, 0.0007149800000000, 0.0000230400000000 ] - [ 0.0008265800000000, 0.0013087400000000, -0.0008347800000000 ] - [ 0.0005076800000000, -0.0004101200000000, -0.0004003700000000 ] - [ -0.0011232400000000, -0.0021481800000000, -0.0011893900000000 ] - [ -0.0006252400000000, -0.0018438200000000, 0.0003516700000000 ] - [ -0.0006874300000000, 0.0008975200000000, 0.0003374800000000 ] - [ -0.0003242200000000, 0.0016497600000000, 0.0002992300000000 ] - [ 0.0008576800000000, -0.0003480700000000, 0.0004628500000000 ] - [ 0.0006444100000000, 0.0001595100000000, -0.0005070600000000 ] - [ -0.0001015400000000, -0.0012050200000000, 0.0002455400000000 ] - [ -0.0006053600000000, -0.0004847100000000, -0.0033739800000000 ] - [ -0.0009605000000000, 0.0007298400000000, 0.0004608400000000 ] - [ -0.0006206800000000, 0.0006329000000000, 0.0003587200000000 ] - [ -0.0113772300000000, 0.0015861900000000, -0.0059186500000000 ] - [ -0.0001697700000000, -0.0007465600000000, 0.0001095700000000 ] - [ 0.0009229300000000, 0.0014353900000000, 0.0001623600000000 ] - [ 0.0002003700000000, 0.0002431300000000, -0.0002686400000000 ] - [ 0.0003631300000000, 0.0034363700000000, 0.0003094700000000 ] - [ 0.0002309400000000, 0.0003009100000000, -0.0005854200000000 ] - [ -0.0015886600000000, -0.0004131400000000, 0.0007641200000000 ] - [ 0.0045701500000000, -0.0004387500000000, -0.0001606200000000 ] - [ 0.0000643300000000, 0.0005559900000000, 0.0004020200000000 ] - [ 0.0002230300000000, 0.0009904200000000, 0.0006497500000000 ] - [ 0.0019036800000000, -0.0042713600000000, -0.0018312600000000 ] - [ -0.0002473900000000, -0.0002419000000000, -0.0004959200000000 ] - [ -0.0004686100000000, 0.0004124100000000, 0.0003982400000000 ] - [ -0.0009565700000000, 0.0006847200000000, -0.0000419300000000 ] - [ 0.0008117300000000, -0.0001370200000000, 0.0001737800000000 ] - [ -0.0030769400000000, 0.0010237500000000, 0.0008232600000000 ] - [ 0.0001123000000000, 0.0008811200000000, 0.0009421600000000 ] - [ 0.0002495900000000, 0.0006451200000000, 0.0003478200000000 ] - [ -0.0003806400000000, 0.0002414100000000, -0.0000354300000000 ] - [ -0.0004807400000000, 0.0022279400000000, -0.0066300700000000 ] - [ 0.0001198100000000, -0.0005425000000000, 0.0041918300000000 ] - [ -0.0002146500000000, 0.0000126900000000, -0.0010035300000000 ] - [ -0.0003470700000000, 0.0011043000000000, 0.0003112400000000 ] - [ 0.0016010400000000, 0.0020616500000000, 0.0016166700000000 ] - [ -0.0005765100000000, -0.0008992100000000, -0.0008850700000000 ] - [ 0.0001691900000000, -0.0006247200000000, 0.0011874900000000 ] - [ 0.0020079100000000, 0.0029892800000000, -0.0021498500000000 ] - [ -0.0004811900000000, -0.0002477600000000, -0.0007461300000000 ] - [ -0.0174994800000000, 0.0125826700000000, 0.0264588900000000 ] - [ 0.0000582100000000, -0.0006383800000000, -0.0001398400000000 ] - [ -0.0000913900000000, 0.0002310500000000, -0.0002761400000000 ] - [ 0.0017675000000000, 0.0011207100000000, -0.0009101900000000 ] - [ -0.0000325500000000, 0.0003297800000000, -0.0002632200000000 ] - [ 0.0000614100000000, 0.0011423200000000, 0.0019938500000000 ] - [ 0.0008144100000000, 0.0006478300000000, -0.0007233400000000 ] - [ -0.0001489000000000, 0.0004863800000000, 0.0001210600000000 ] - [ -0.0002452600000000, -0.0004694900000000, 0.0001088700000000 ] - [ 0.0004193100000000, -0.0009384300000000, 0.0014468300000000 ] - [ -0.0002165800000000, 0.0017557000000000, -0.0001294100000000 ] - [ -0.0002085900000000, 0.0009315400000000, -0.0001725600000000 ] - [ 0.0001472600000000, -0.0051636900000000, -0.0110947800000000 ] - [ -0.0002444700000000, -0.0006957400000000, -0.0001646800000000 ] - [ 0.0003074900000000, 0.0009978100000000, 0.0003789000000000 ] - [ 0.0001115300000000, 0.0007010900000000, 0.0003609000000000 ] - [ 0.0344935800000000, -0.1075374600000000, -0.0965729600000000 ] - [ -0.0002008800000000, -0.0005698300000000, 0.0001396700000000 ] - [ 0.0001047700000000, 0.0004865100000000, -0.0006189500000000 ] - [ 0.0001932400000000, 0.0005699300000000, -0.0005044000000000 ] - [ -0.0002672100000000, -0.0000223100000000, -0.0003274300000000 ] - [ 0.0064973100000000, -0.0009225800000000, 0.0099372800000000 ] - [ 0.0000887400000000, 0.0008918800000000, 0.0004243500000000 ] - [ 0.0000822900000000, 0.0006369100000000, 0.0002057900000000 ] - [ 0.0083560700000000, -0.0034104600000000, 0.0138277900000000 ] - [ -0.0010263100000000, -0.0005970400000000, 0.0003710000000000 ] - [ -0.0002138000000000, 0.0017496700000000, -0.0003280400000000 ] - [ 0.0006966700000000, 0.0003008400000000, -0.0000819100000000 ] - [ -0.0001781500000000, -0.0001860700000000, 0.0002406000000000 ] - [ 0.0016974600000000, 0.0001521000000000, 0.0010052000000000 ] - [ 0.0044448700000000, 0.0082646400000000, -0.0015674900000000 ] - [ -0.0001729400000000, -0.0003579300000000, 0.0002773200000000 ] - [ -0.0018142000000000, 0.0064624000000000, 0.0007659600000000 ] - [ 0.0001793900000000, 0.0002464300000000, -0.0001988500000000 ] - [ -0.0000301000000000, 0.0002514900000000, 0.0010336100000000 ] - [ -0.0001424000000000, -0.0002096400000000, 0.0001093500000000 ] - [ 0.0005102200000000, 0.0000870000000000, -0.0007008400000000 ] - [ 0.0000700700000000, -0.0000810700000000, -0.0001419400000000 ] - [ 0.0003294600000000, -0.0002101400000000, -0.0000291100000000 ] - [ -0.0013465000000000, 0.0011592800000000, -0.0003353500000000 ] - [ -0.0013891900000000, -0.0046685200000000, 0.0007451300000000 ] - [ -0.0005302700000000, -0.0014175200000000, 0.0006078800000000 ] - [ 0.0002413000000000, -0.0005229600000000, 0.0008502500000000 ] - [ -0.0076325800000000, -0.0026862300000000, 0.0003831400000000 ] - [ -0.0006081200000000, -0.0008982500000000, 0.0012578000000000 ] - [ -0.0005224200000000, -0.0014839900000000, -0.0008922100000000 ] - [ -0.0040442900000000, -0.0001346200000000, 0.0049017500000000 ] - [ 0.0010148800000000, -0.0001912000000000, -0.0006572700000000 ] - [ -0.0010778400000000, -0.0014620000000000, 0.0000366100000000 ] - [ -0.0001382100000000, -0.0009809200000000, 0.0003321200000000 ] - [ 0.0011513700000000, 0.0002242300000000, -0.0003186000000000 ] - [ -0.0005011300000000, 0.0000911700000000, -0.0043024700000000 ] - [ 0.0011908400000000, -0.0015229500000000, 0.0000888800000000 ] - [ -0.0003631100000000, -0.0013201900000000, -0.0001932400000000 ] - [ 0.0010934600000000, 0.0500206400000000, 0.0526975900000000 ] - [ -0.0002383700000000, 0.0009874300000000, 0.0004300000000000 ] - [ -0.0011003500000000, 0.0054917900000000, -0.0012656300000000 ] - [ 0.0004498800000000, 0.0023744100000000, 0.0003736900000000 ] - [ 0.0009051100000000, -0.0000226600000000, -0.0005547400000000 ] - [ 0.0005348900000000, -0.0004329100000000, -0.0005638500000000 ] - [ 0.0045204600000000, -0.0057992600000000, -0.0085523300000000 ] - [ -0.0001026800000000, 0.0003982000000000, -0.0004834200000000 ] - [ 0.0056957600000000, 0.0052540700000000, 0.0007966000000000 ] - [ -0.0010706900000000, 0.0032392900000000, 0.0005033000000000 ] - [ 0.0000485600000000, -0.0006895500000000, 0.0000038200000000 ] - [ 0.0003567500000000, -0.0029898700000000, 0.0004394200000000 ] - [ -0.0014508800000000, 0.0028397900000000, 0.0002084800000000 ] - [ -0.0004360600000000, 0.0011755100000000, 0.0002075400000000 ] - [ -0.0004237500000000, -0.0057720900000000, 0.0004713500000000 ] - [ -0.0000529800000000, -0.0009055700000000, 0.0000795500000000 ] - [ 0.0001295600000000, 0.0040310400000000, -0.0013905500000000 ] - [ 0.0003790300000000, 0.0009323600000000, -0.0008244200000000 ] - [ -0.0003498600000000, 0.0012463400000000, -0.0020087800000000 ] - [ 0.0003587300000000, 0.0013895000000000, 0.0019851300000000 ] - [ 0.0022710600000000, -0.0011312500000000, -0.0011845800000000 ] - [ -0.0008170000000000, 0.0004897900000000, -0.0001960300000000 ] - [ 0.0010678800000000, -0.0051674300000000, 0.0062049500000000 ] - [ 0.0001437600000000, -0.0011110700000000, 0.0003277100000000 ] - [ -0.0059186100000000, -0.0037297900000000, -0.0001527900000000 ] - [ 0.0021472900000000, -0.0016356500000000, 0.0000718300000000 ] - [ 0.0006101600000000, 0.0012631800000000, 0.0000535100000000 ] - [ -0.0085966800000000, 0.0134607900000000, 0.0000663500000000 ] - [ -0.0002135300000000, -0.0016791800000000, 0.0000762400000000 ] - [ -0.0002119800000000, -0.0005592300000000, 0.0002507400000000 ] - [ -0.0093687800000000, 0.0288891700000000, 0.0133554800000000 ] - [ 0.0000555000000000, 0.0003665400000000, 0.0001286000000000 ] - [ -0.0003566500000000, -0.0014872800000000, -0.0008944300000000 ] - [ 0.0008452900000000, -0.0012568600000000, -0.0005584700000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006190200000000, 0.0026044400000000, 0.0003822700000000 ] - [ 0.0014322600000000, 0.0020260800000000, -0.0009546300000000 ] - [ -0.0002289900000000, -0.0022260600000000, 0.0001877300000000 ] - [ 0.0001960300000000, -0.0003600600000000, -0.0000616000000000 ] - [ 0.0053697400000000, 0.0025075300000000, -0.0043834800000000 ] - [ 0.0000465100000000, 0.0007064700000000, -0.0002344700000000 ] - [ -0.0001390400000000, -0.0006039100000000, -0.0002619700000000 ] - [ -0.0001277900000000, -0.0007956000000000, 0.0000975800000000 ] - [ 0.0003852300000000, -0.0025925200000000, 0.0002307300000000 ] - [ 0.0006993800000000, -0.0008791500000000, -0.0001960600000000 ] - [ -0.0000834600000000, 0.0008491800000000, 0.0017747100000000 ] - [ -0.0005928300000000, 0.0005518500000000, 0.0002496600000000 ] - [ -0.0005231300000000, 0.0003935700000000, 0.0002591800000000 ] - [ -0.0008787400000000, -0.0003559500000000, 0.0003003400000000 ] - [ 0.0003454800000000, 0.0016359800000000, -0.0010393100000000 ] - [ 0.0005666000000000, 0.0011271700000000, -0.0000883300000000 ] - [ 0.0012690600000000, 0.0014757000000000, -0.0006889000000000 ] - [ 0.0017745600000000, 0.0007539000000000, 0.0028966600000000 ] - [ -0.0002237600000000, -0.0004445600000000, -0.0000083200000000 ] - [ -0.0005551600000000, -0.0003500700000000, 0.0000920800000000 ] - [ 0.0101062500000000, -0.0018704700000000, 0.0062981700000000 ] - [ -0.0010156200000000, 0.0004592500000000, 0.0003398200000000 ] - [ 0.0002533500000000, -0.0017078200000000, -0.0006171600000000 ] - [ 0.0009777600000000, -0.0005235800000000, -0.0001791200000000 ] - [ -0.0003581900000000, -0.0035137300000000, -0.0012820500000000 ] - [ -0.0002242500000000, -0.0003901400000000, -0.0003899500000000 ] - [ 0.0015780300000000, 0.0003179100000000, 0.0002098900000000 ] - [ -0.0045588500000000, 0.0003165800000000, 0.0011301100000000 ] - [ -0.0000699600000000, -0.0004651400000000, 0.0005741300000000 ] - [ -0.0002267600000000, -0.0008946700000000, 0.0003280700000000 ] - [ -0.0018949400000000, 0.0043473600000000, 0.0008570500000000 ] - [ 0.0002487700000000, 0.0003349500000000, -0.0004783600000000 ] - [ -0.0006138700000000, -0.0002252000000000, -0.0000760200000000 ] - [ -0.0001188500000000, -0.0004971600000000, 0.0003618500000000 ] - [ -0.0013310900000000, -0.0007079200000000, -0.0007934700000000 ] - [ 0.0025479900000000, -0.0018707700000000, -0.0014401400000000 ] - [ 0.0004125200000000, -0.0000307400000000, -0.0003145400000000 ] - [ 0.0002814600000000, 0.0002018800000000, 0.0002738700000000 ] - [ -0.0001493900000000, 0.0006075600000000, -0.0005824700000000 ] - [ -0.0000232600000000, -0.0013817900000000, 0.0060453200000000 ] - [ -0.0003855600000000, 0.0015339800000000, -0.0051618400000000 ] - [ -0.0000412300000000, 0.0009739000000000, 0.0000342400000000 ] - [ 0.0006003700000000, -0.0001154500000000, 0.0006556600000000 ] - [ -0.0013270500000000, -0.0010737700000000, -0.0006395200000000 ] - [ 0.0008394000000000, -0.0000994500000000, 0.0018552600000000 ] - [ 0.0000896000000000, -0.0003640500000000, -0.0002097600000000 ] - [ -0.0022848200000000, -0.0039986800000000, 0.0011873100000000 ] - [ 0.0002208600000000, -0.0007361300000000, -0.0002246500000000 ] - [ 0.0174591600000000, -0.0132692600000000, -0.0264886000000000 ] - [ -0.0002572900000000, -0.0000714100000000, 0.0002935500000000 ] - [ 0.0002890600000000, -0.0009389400000000, 0.0001201200000000 ] - [ -0.0015552800000000, -0.0018290300000000, 0.0007515200000000 ] - [ 0.0002316300000000, 0.0003776900000000, 0.0001109500000000 ] - [ 0.0001456800000000, -0.0004313500000000, -0.0021323900000000 ] - [ -0.0010145600000000, 0.0000600400000000, 0.0008826400000000 ] - [ -0.0000499100000000, 0.0002253800000000, 0.0000331100000000 ] - [ 0.0006114300000000, 0.0011269600000000, 0.0004754000000000 ] - [ -0.0000472600000000, 0.0015925900000000, -0.0008708400000000 ] - [ -0.0001568100000000, -0.0010904600000000, -0.0004352100000000 ] - [ -0.0001580500000000, -0.0002699600000000, -0.0003949000000000 ] - [ -0.0005036700000000, 0.0044599400000000, 0.0105936600000000 ] - [ -0.0001246700000000, 0.0000344200000000, -0.0004025600000000 ] - [ 0.0000584000000000, -0.0016524200000000, 0.0001864100000000 ] - [ 0.0002583900000000, -0.0013564900000000, 0.0002071900000000 ] - [ -0.0338748300000000, 0.1050770600000000, 0.0962457300000000 ] - [ 0.0001369400000000, 0.0001022900000000, 0.0003762200000000 ] - [ -0.0000429900000000, -0.0009504800000000, 0.0000985200000000 ] - [ -0.0001315600000000, -0.0010346100000000, -0.0000117600000000 ] - [ 0.0003246600000000, 0.0004879700000000, -0.0001858300000000 ] - [ -0.0063695700000000, 0.0013620700000000, -0.0103856100000000 ] - [ -0.0001520400000000, -0.0004239000000000, 0.0000963200000000 ] - [ -0.0001421600000000, -0.0001681000000000, 0.0003108200000000 ] - [ -0.0094356900000000, 0.0033000100000000, -0.0135250400000000 ] - [ -0.0000542700000000, 0.0004116300000000, -0.0000490300000000 ] - [ 0.0012878300000000, -0.0019329500000000, -0.0000011600000000 ] - [ 0.0003823700000000, -0.0004852900000000, -0.0002371200000000 ] - [ 0.0012457400000000, 0.0003640000000000, -0.0005480500000000 ] - [ -0.0006110100000000, 0.0000317900000000, -0.0013193400000000 ] - [ -0.0038585000000000, -0.0089751900000000, 0.0021605800000000 ] - [ 0.0006969900000000, -0.0004915700000000, 0.0003421300000000 ] - [ 0.0019804200000000, -0.0061451000000000, -0.0011299200000000 ] - [ 0.0000019300000000, 0.0000186800000000, -0.0001698400000000 ] - [ -0.0001508700000000, 0.0000204200000000, -0.0006562500000000 ] - [ -0.0000385300000000, 0.0004759800000000, 0.0002609400000000 ] - [ -0.0003332000000000, -0.0003651700000000, 0.0003336600000000 ] - [ 0.0001111200000000, -0.0001857500000000, -0.0002267100000000 ] - [ -0.0005096500000000, -0.0000548700000000, 0.0003958800000000 ] - [ 0.0011656500000000, -0.0014105900000000, 0.0007034000000000 ] - [ -0.0000327900000000, 0.0030091500000000, 0.0001731000000000 ] - [ -0.0008908700000000, -0.0002336700000000, 0.0002956700000000 ] - [ -0.0017064100000000, 0.0011403500000000, 0.0005610400000000 ] - [ 0.0060877300000000, 0.0033260100000000, 0.0010255200000000 ] - [ -0.0008666200000000, 0.0002853200000000, 0.0001448000000000 ] - [ -0.0009469800000000, 0.0008606900000000, 0.0022838600000000 ] - [ 0.0055122900000000, -0.0004799600000000, -0.0063309200000000 ] - [ 0.0004600300000000, -0.0004301300000000, -0.0007507500000000 ] - [ 0.0000918900000000, 0.0008618300000000, 0.0005775200000000 ] - [ -0.0008552900000000, 0.0003803600000000, 0.0002890300000000 ] - [ -0.0001521800000000, -0.0008121600000000, -0.0003127400000000 ] - [ 0.0014773000000000, -0.0006818700000000, 0.0036723300000000 ] - [ -0.0001956600000000, 0.0021144000000000, -0.0007051100000000 ] - [ 0.0013504600000000, 0.0019129400000000, -0.0004291800000000 ] - [ -0.0021465100000000, -0.0487419200000000, -0.0521469300000000 ] - [ -0.0007504000000000, -0.0003882200000000, 0.0001920100000000 ] - [ -0.0003161900000000, -0.0038036800000000, 0.0021393800000000 ] - [ -0.0018600800000000, -0.0007166200000000, 0.0005249800000000 ] - [ 0.0005207300000000, 0.0016684900000000, -0.0003500100000000 ] - [ 0.0008813400000000, 0.0020780100000000, -0.0003444600000000 ] - [ -0.0030124000000000, 0.0063941400000000, 0.0070991100000000 ] - [ 0.0015683500000000, 0.0002194600000000, -0.0009245200000000 ] - [ -0.0042722500000000, -0.0068735100000000, -0.0016900700000000 ] - [ 0.0025082700000000, -0.0048721600000000, -0.0014097500000000 ] - [ 0.0002309600000000, 0.0011483300000000, -0.0001500800000000 ] - [ -0.0000930600000000, 0.0034425100000000, -0.0005868200000000 ] - [ 0.0012148800000000, -0.0023722800000000, -0.0001010700000000 ] - [ 0.0001553800000000, -0.0007074000000000, -0.0000585700000000 ] - [ 0.0001523800000000, 0.0052898600000000, -0.0003171900000000 ] - [ -0.0002205800000000, 0.0004402800000000, 0.0000675900000000 ] - [ 0.0001072800000000, -0.0044770400000000, 0.0012146100000000 ] - [ -0.0001005500000000, -0.0013931200000000, 0.0006660400000000 ] - [ 0.0000378700000000, 0.0006447700000000, 0.0012804200000000 ] - [ -0.0006882200000000, 0.0005019200000000, -0.0027000700000000 ] - [ -0.0019271700000000, 0.0030098900000000, 0.0018814500000000 ] - [ 0.0011277700000000, 0.0014094700000000, 0.0009079300000000 ] - [ -0.0007470200000000, 0.0032964600000000, -0.0054301600000000 ] - [ 0.0001760000000000, -0.0007826400000000, 0.0003850400000000 ] - [ 0.0056020900000000, 0.0018124900000000, -0.0005255700000000 ] - [ -0.0024585900000000, -0.0002718100000000, -0.0007892700000000 ] - [ -0.0001803700000000, -0.0009934500000000, -0.0004016800000000 ] - [ 0.0090380200000000, -0.0130609000000000, -0.0003260200000000 ] - [ -0.0002052100000000, 0.0019442500000000, 0.0002725400000000 ] - [ -0.0002134000000000, 0.0008235700000000, 0.0001024400000000 ] - [ 0.0081944600000000, -0.0281380300000000, -0.0120627600000000 ] - [ -0.0004739600000000, -0.0006287000000000, 0.0002243000000000 ] - [ 0.0007765300000000, 0.0012105900000000, 0.0005393100000000 ] - [ -0.0004198800000000, 0.0009869800000000, 0.0001995300000000 ]- atom: 65 displacement: [ -0.0050436217710434, 0.0000000000000000, 0.0086349220859633 ] forces: - [ -0.0013380800000000, -0.0006353800000000, -0.0017562100000000 ] - [ -0.0004588600000000, 0.0002391300000000, -0.0023561400000000 ] - [ 0.0004114800000000, 0.0006963500000000, -0.0002885000000000 ] - [ 0.0000778200000000, 0.0002009300000000, 0.0000816500000000 ] - [ -0.0051931200000000, 0.0001627900000000, 0.0039551900000000 ] - [ 0.0007801600000000, -0.0001169100000000, -0.0002156300000000 ] - [ -0.0001275200000000, 0.0004761200000000, 0.0006069800000000 ] - [ -0.0003700000000000, -0.0003002900000000, 0.0007471800000000 ] - [ 0.0011784000000000, 0.0001022200000000, -0.0021709000000000 ] - [ 0.0003619400000000, -0.0005682400000000, -0.0003804300000000 ] - [ 0.0002522300000000, -0.0014120400000000, -0.0010898900000000 ] - [ -0.0031703100000000, -0.0011163700000000, 0.0006117900000000 ] - [ -0.0007865400000000, 0.0007048200000000, 0.0006723300000000 ] - [ 0.0000125200000000, 0.0006528000000000, 0.0002733000000000 ] - [ -0.0013179900000000, 0.0012842500000000, 0.0038696700000000 ] - [ 0.0020913200000000, 0.0004460000000000, 0.0007017900000000 ] - [ -0.0024989600000000, -0.0008709400000000, 0.0011949600000000 ] - [ 0.0013055100000000, -0.0000804800000000, -0.0005398000000000 ] - [ -0.0011676500000000, 0.0004669200000000, 0.0009758000000000 ] - [ -0.0001359000000000, 0.0002623400000000, 0.0004532700000000 ] - [ -0.0020541500000000, 0.0007786200000000, -0.0071411700000000 ] - [ -0.0015863600000000, -0.0004678500000000, 0.0000987700000000 ] - [ 0.0015801500000000, 0.0008320000000000, -0.0008111500000000 ] - [ 0.0000865000000000, 0.0001426500000000, -0.0001306300000000 ] - [ 0.0003835600000000, 0.0051480400000000, 0.0006998300000000 ] - [ 0.0001722900000000, 0.0000259100000000, -0.0003986500000000 ] - [ -0.0004897900000000, 0.0001540200000000, 0.0001803400000000 ] - [ -0.0013769000000000, -0.0028331600000000, -0.0012119000000000 ] - [ 0.0000384600000000, -0.0000690700000000, 0.0007814800000000 ] - [ -0.0001393600000000, 0.0006221900000000, 0.0010126800000000 ] - [ -0.0065992300000000, -0.0025929000000000, 0.0084515000000000 ] - [ 0.0003454600000000, -0.0000668500000000, -0.0005434800000000 ] - [ -0.0015113100000000, 0.0003755100000000, 0.0007981500000000 ] - [ 0.0003032800000000, -0.0003669900000000, 0.0000351900000000 ] - [ 0.0008864900000000, -0.0002425000000000, -0.0004214200000000 ] - [ -0.0045081900000000, 0.0015371300000000, 0.0009917100000000 ] - [ -0.0006563700000000, 0.0008795600000000, 0.0015239900000000 ] - [ 0.0011558700000000, 0.0002731000000000, 0.0007148500000000 ] - [ -0.0003249300000000, 0.0002894700000000, 0.0003609500000000 ] - [ 0.0023569500000000, -0.0036582400000000, 0.0039348600000000 ] - [ -0.0005413000000000, 0.0007852900000000, 0.0053526000000000 ] - [ 0.0005854900000000, 0.0003681300000000, 0.0003571200000000 ] - [ -0.0004922800000000, 0.0007811100000000, 0.0001622600000000 ] - [ 0.0006828100000000, 0.0005375600000000, -0.0001614600000000 ] - [ 0.0013018200000000, -0.0021260600000000, 0.0010921500000000 ] - [ -0.0000921000000000, -0.0006571600000000, 0.0017554600000000 ] - [ -0.0012997500000000, -0.0033732500000000, -0.0020997400000000 ] - [ -0.0003494400000000, -0.0003393500000000, -0.0008244700000000 ] - [ -0.0186147600000000, 0.0264652700000000, 0.0289943400000000 ] - [ -0.0001907300000000, -0.0004980700000000, 0.0000546000000000 ] - [ 0.0001419500000000, -0.0001021400000000, -0.0003541700000000 ] - [ 0.0004206300000000, -0.0004732000000000, -0.0004904100000000 ] - [ 0.0002134600000000, 0.0001003300000000, 0.0004098400000000 ] - [ -0.0006748200000000, 0.0018619600000000, 0.0027917300000000 ] - [ -0.0013744200000000, -0.0018062000000000, 0.0014445500000000 ] - [ 0.0002834300000000, 0.0004775200000000, 0.0001758100000000 ] - [ 0.0000626100000000, -0.0000014400000000, 0.0031809200000000 ] - [ 0.0002791800000000, -0.0002580600000000, 0.0026298700000000 ] - [ -0.0009738800000000, 0.0008543000000000, 0.0001299500000000 ] - [ 0.0001245900000000, 0.0003850300000000, -0.0003931000000000 ] - [ 0.0036523800000000, -0.0067636200000000, 0.0214207000000000 ] - [ -0.0003698300000000, -0.0004604400000000, 0.0001357500000000 ] - [ 0.0001049000000000, -0.0001088300000000, -0.0002847700000000 ] - [ 0.0001448300000000, -0.0000326500000000, -0.0001369300000000 ] - [ 0.0355866600000000, -0.0995097700000000, -0.2929500100000000 ] - [ -0.0004255400000000, -0.0002501200000000, 0.0002047700000000 ] - [ 0.0004282900000000, 0.0001144700000000, -0.0005953300000000 ] - [ -0.0004251000000000, 0.0000603100000000, -0.0001182900000000 ] - [ -0.0004411400000000, 0.0003216200000000, 0.0005565500000000 ] - [ 0.0088571400000000, 0.0057902000000000, 0.0127769800000000 ] - [ -0.0007125500000000, 0.0001526700000000, 0.0015882200000000 ] - [ 0.0004782900000000, 0.0003365900000000, 0.0005316700000000 ] - [ 0.0094426800000000, 0.0030936400000000, 0.0027051800000000 ] - [ -0.0011761200000000, -0.0004105400000000, 0.0003760500000000 ] - [ 0.0009579700000000, -0.0000518000000000, -0.0015138600000000 ] - [ 0.0002733500000000, -0.0000048800000000, -0.0001634000000000 ] - [ -0.0005193600000000, -0.0009036000000000, 0.0017333600000000 ] - [ 0.0026934700000000, 0.0007342000000000, 0.0018403000000000 ] - [ 0.0031777800000000, 0.0004680400000000, -0.0039850900000000 ] - [ -0.0001432000000000, -0.0004654900000000, 0.0003163700000000 ] - [ -0.0024148100000000, 0.0078765000000000, 0.0009401000000000 ] - [ 0.0002173400000000, 0.0001338900000000, -0.0002469600000000 ] - [ 0.0001751800000000, 0.0009084100000000, 0.0010024600000000 ] - [ -0.0005587200000000, -0.0000679500000000, 0.0009449200000000 ] - [ -0.0005765200000000, -0.0018678600000000, 0.0002944500000000 ] - [ 0.0001440100000000, -0.0000161000000000, 0.0000331900000000 ] - [ -0.0001262200000000, -0.0003172700000000, -0.0000007200000000 ] - [ -0.0000421800000000, -0.0001791900000000, -0.0014830800000000 ] - [ -0.0026412700000000, -0.0036485600000000, 0.0028054400000000 ] - [ -0.0003411100000000, -0.0011064800000000, 0.0004298800000000 ] - [ -0.0000005800000000, 0.0000078200000000, 0.0011147000000000 ] - [ -0.0034771500000000, 0.0020693600000000, 0.0023884000000000 ] - [ -0.0016386200000000, 0.0004284000000000, -0.0004273500000000 ] - [ 0.0004125100000000, -0.0015544500000000, -0.0017992200000000 ] - [ 0.0025047200000000, 0.0088948100000000, -0.0038075000000000 ] - [ 0.0005596100000000, -0.0002093200000000, -0.0006538300000000 ] - [ 0.0013483800000000, 0.0002695200000000, -0.0013151500000000 ] - [ -0.0013624000000000, -0.0002509300000000, 0.0000510400000000 ] - [ 0.0012879200000000, 0.0009102000000000, -0.0022831300000000 ] - [ -0.0004930300000000, -0.0011346900000000, -0.0070373600000000 ] - [ 0.0002996800000000, -0.0001910000000000, 0.0004146300000000 ] - [ 0.0009415700000000, 0.0000459200000000, -0.0000975000000000 ] - [ -0.0124160300000000, 0.0468551000000000, 0.2033052900000000 ] - [ 0.0001089700000000, 0.0005810400000000, 0.0002014600000000 ] - [ 0.0048634500000000, 0.0002015700000000, -0.0057352000000000 ] - [ -0.0021956600000000, 0.0007713400000000, -0.0003445500000000 ] - [ 0.0011436100000000, 0.0004037200000000, -0.0011624100000000 ] - [ 0.0002203200000000, 0.0007165600000000, -0.0009878600000000 ] - [ 0.0078396300000000, -0.0074014900000000, -0.0114824700000000 ] - [ -0.0002335200000000, 0.0007662600000000, -0.0011136400000000 ] - [ 0.0022399700000000, 0.0001147500000000, 0.0022198900000000 ] - [ 0.0037014300000000, -0.0003592200000000, 0.0005126400000000 ] - [ 0.0008815400000000, 0.0000028700000000, -0.0000352300000000 ] - [ -0.0006891600000000, 0.0001106600000000, 0.0015061100000000 ] - [ 0.0062868900000000, 0.0022448300000000, -0.0074200800000000 ] - [ -0.0015737800000000, 0.0005976600000000, -0.0008965000000000 ] - [ -0.0009194900000000, -0.0016563100000000, 0.0022949900000000 ] - [ -0.0000205800000000, -0.0004425600000000, 0.0002032400000000 ] - [ -0.0062426900000000, 0.0010588300000000, -0.0037493700000000 ] - [ 0.0019642300000000, 0.0001586600000000, -0.0026378800000000 ] - [ 0.0001109300000000, 0.0001493100000000, -0.0041006900000000 ] - [ -0.0020048300000000, 0.0017467600000000, -0.0030213100000000 ] - [ 0.0034293800000000, -0.0006664800000000, -0.0020658500000000 ] - [ -0.0012682600000000, 0.0002362300000000, 0.0006500100000000 ] - [ -0.0027492500000000, 0.0040684900000000, 0.0046194600000000 ] - [ 0.0005509200000000, -0.0009465200000000, -0.0002309400000000 ] - [ -0.0015322600000000, -0.0016203300000000, 0.0052713000000000 ] - [ 0.0020276700000000, -0.0015597200000000, 0.0012141100000000 ] - [ 0.0021581900000000, 0.0004278400000000, -0.0001679100000000 ] - [ -0.0094980100000000, 0.0044351500000000, 0.0120075800000000 ] - [ 0.0011543500000000, -0.0003363000000000, -0.0014358900000000 ] - [ -0.0008107700000000, -0.0001230300000000, -0.0000562000000000 ] - [ -0.0105903200000000, 0.0141071900000000, 0.0211030700000000 ] - [ 0.0000368700000000, -0.0000343000000000, 0.0002869300000000 ] - [ -0.0011087800000000, -0.0012995400000000, -0.0007275200000000 ] - [ 0.0018705100000000, -0.0007562900000000, -0.0022103200000000 ]- atom: 65 displacement: [ 0.0050436217710434, 0.0000000000000000, -0.0086349220859633 ] forces: - [ 0.0010234200000000, 0.0007153000000000, 0.0018642600000000 ] - [ 0.0001142400000000, -0.0001541400000000, 0.0025063900000000 ] - [ -0.0000985400000000, -0.0006143800000000, 0.0001736700000000 ] - [ 0.0002394900000000, -0.0001170900000000, -0.0002000600000000 ] - [ 0.0054827900000000, -0.0002424600000000, -0.0040554900000000 ] - [ -0.0004702100000000, 0.0000245100000000, 0.0000968500000000 ] - [ -0.0001942100000000, -0.0005601300000000, -0.0004876600000000 ] - [ 0.0000585100000000, 0.0002224400000000, -0.0006308700000000 ] - [ 0.0000328200000000, -0.0013916100000000, 0.0015814700000000 ] - [ 0.0008449900000000, -0.0007215200000000, -0.0002165300000000 ] - [ -0.0014594000000000, 0.0001201800000000, 0.0016868000000000 ] - [ 0.0019729000000000, -0.0001710500000000, 0.0000025100000000 ] - [ -0.0004254300000000, 0.0005860300000000, -0.0000787100000000 ] - [ -0.0012145300000000, 0.0006419200000000, 0.0003219400000000 ] - [ 0.0025313900000000, 0.0000086100000000, -0.0044506600000000 ] - [ -0.0008930400000000, 0.0008386800000000, -0.0013089000000000 ] - [ 0.0036596700000000, 0.0011483100000000, -0.0016458500000000 ] - [ -0.0001561700000000, 0.0003508400000000, 0.0000108300000000 ] - [ -0.0000164700000000, -0.0001808200000000, -0.0005262900000000 ] - [ -0.0010407400000000, 0.0000212000000000, -0.0000055800000000 ] - [ 0.0009148800000000, -0.0010922100000000, 0.0075737900000000 ] - [ 0.0003974700000000, 0.0001813600000000, 0.0003563300000000 ] - [ -0.0004087300000000, -0.0011067900000000, 0.0003650000000000 ] - [ 0.0010941000000000, -0.0004246400000000, -0.0003150400000000 ] - [ -0.0003841100000000, -0.0052799900000000, -0.0016836100000000 ] - [ -0.0001658900000000, -0.0001146800000000, -0.0005770100000000 ] - [ 0.0004902300000000, -0.0002469400000000, 0.0007879600000000 ] - [ 0.0013556500000000, 0.0027194000000000, 0.0022061800000000 ] - [ -0.0000450600000000, 0.0001612400000000, 0.0001931300000000 ] - [ 0.0001397200000000, -0.0005258000000000, -0.0000378900000000 ] - [ 0.0065194500000000, 0.0026317300000000, -0.0092922700000000 ] - [ -0.0003516900000000, 0.0001611300000000, -0.0004292200000000 ] - [ 0.0004323600000000, -0.0001921800000000, -0.0004802600000000 ] - [ -0.0013822700000000, 0.0005582800000000, 0.0002824900000000 ] - [ -0.0014076800000000, -0.0006021800000000, -0.0001971600000000 ] - [ 0.0040095300000000, -0.0023949600000000, -0.0016141200000000 ] - [ 0.0011858000000000, -0.0000288400000000, -0.0008991700000000 ] - [ -0.0006321500000000, 0.0005753900000000, -0.0000968000000000 ] - [ -0.0002096800000000, 0.0005585300000000, -0.0009840200000000 ] - [ -0.0028354000000000, 0.0044976500000000, -0.0045673500000000 ] - [ 0.0002789200000000, 0.0002024600000000, -0.0063467700000000 ] - [ -0.0008439200000000, 0.0006184600000000, -0.0013338900000000 ] - [ 0.0007461500000000, 0.0002070400000000, 0.0008026600000000 ] - [ -0.0004237900000000, 0.0004465400000000, 0.0011290000000000 ] - [ -0.0010509400000000, 0.0011415700000000, -0.0001246000000000 ] - [ 0.0003545000000000, -0.0003297000000000, -0.0007785900000000 ] - [ 0.0010519700000000, 0.0023915900000000, 0.0011161300000000 ] - [ 0.0000872000000000, -0.0006454700000000, -0.0001455200000000 ] - [ 0.0186639200000000, -0.0276538200000000, -0.0292029300000000 ] - [ -0.0000081200000000, -0.0002119200000000, 0.0000969000000000 ] - [ 0.0000576400000000, -0.0006068700000000, 0.0001985800000000 ] - [ -0.0002209800000000, -0.0002427700000000, 0.0003432800000000 ] - [ -0.0000186300000000, 0.0006100200000000, -0.0005646400000000 ] - [ 0.0008837400000000, -0.0011555300000000, -0.0029388100000000 ] - [ 0.0011835700000000, 0.0025084900000000, -0.0012937200000000 ] - [ -0.0004867400000000, 0.0002335200000000, -0.0000224400000000 ] - [ 0.0002967300000000, 0.0006583200000000, -0.0026191400000000 ] - [ 0.0000984900000000, 0.0009113400000000, -0.0020621300000000 ] - [ 0.0006037900000000, -0.0001864400000000, -0.0006991300000000 ] - [ -0.0004951300000000, 0.0002768100000000, -0.0001746800000000 ] - [ -0.0041023500000000, 0.0061900500000000, -0.0222885000000000 ] - [ 0.0000021000000000, -0.0002005200000000, -0.0007030700000000 ] - [ 0.0002638900000000, -0.0005464600000000, 0.0008512700000000 ] - [ 0.0002222600000000, -0.0006243800000000, 0.0007093200000000 ] - [ -0.0333384800000000, 0.1015391000000000, 0.3039962100000000 ] - [ 0.0003602400000000, -0.0002161400000000, 0.0003104900000000 ] - [ -0.0003675100000000, -0.0005794800000000, 0.0000774100000000 ] - [ 0.0004892900000000, -0.0005287200000000, -0.0003924300000000 ] - [ 0.0004968300000000, 0.0001452200000000, -0.0010786500000000 ] - [ -0.0086504800000000, -0.0052691500000000, -0.0131885000000000 ] - [ 0.0006527700000000, 0.0003144300000000, -0.0010717300000000 ] - [ -0.0005411700000000, 0.0001326100000000, -0.0000174100000000 ] - [ -0.0105223100000000, -0.0032804300000000, -0.0022604900000000 ] - [ 0.0000984000000000, 0.0002254700000000, -0.0000509300000000 ] - [ 0.0001175200000000, -0.0001318100000000, 0.0011918500000000 ] - [ 0.0008032600000000, -0.0001798100000000, -0.0001543100000000 ] - [ 0.0015887100000000, 0.0010889400000000, -0.0020547800000000 ] - [ -0.0016029200000000, -0.0005511900000000, -0.0021495800000000 ] - [ -0.0026349500000000, -0.0013504200000000, 0.0045938300000000 ] - [ 0.0006674500000000, -0.0003844900000000, 0.0003026900000000 ] - [ 0.0025698300000000, -0.0075224700000000, -0.0012904800000000 ] - [ -0.0000381300000000, 0.0001313300000000, -0.0001216700000000 ] - [ -0.0003598500000000, -0.0006407300000000, -0.0006242600000000 ] - [ 0.0003831800000000, 0.0003332800000000, -0.0005779100000000 ] - [ 0.0007596000000000, 0.0016095000000000, -0.0006614300000000 ] - [ 0.0000373300000000, -0.0002510200000000, -0.0004017000000000 ] - [ -0.0000527200000000, 0.0000511000000000, 0.0003670400000000 ] - [ -0.0001478700000000, -0.0000612700000000, 0.0018665100000000 ] - [ 0.0012387200000000, 0.0020076500000000, -0.0019177100000000 ] - [ -0.0010815100000000, -0.0005431300000000, 0.0004743400000000 ] - [ -0.0014675300000000, 0.0006131900000000, 0.0003000100000000 ] - [ 0.0020035400000000, -0.0014223700000000, -0.0009823500000000 ] - [ 0.0001728900000000, -0.0010467500000000, 0.0018370500000000 ] - [ -0.0018899000000000, 0.0009319500000000, 0.0031960600000000 ] - [ -0.0010839000000000, -0.0094673600000000, 0.0024200500000000 ] - [ 0.0009238600000000, -0.0004133400000000, -0.0007532500000000 ] - [ -0.0023406000000000, -0.0008691100000000, 0.0019381100000000 ] - [ 0.0003765600000000, -0.0003515400000000, 0.0005737700000000 ] - [ -0.0002847300000000, -0.0015082900000000, 0.0016683600000000 ] - [ 0.0014746700000000, 0.0005547300000000, 0.0064109100000000 ] - [ 0.0006945400000000, 0.0007855700000000, -0.0010331700000000 ] - [ 0.0000509900000000, 0.0005533900000000, -0.0005322400000000 ] - [ 0.0096286400000000, -0.0494949800000000, -0.2134556400000000 ] - [ -0.0010995100000000, 0.0000168800000000, 0.0004208900000000 ] - [ -0.0062604800000000, 0.0014419200000000, 0.0066200700000000 ] - [ 0.0008117600000000, 0.0008975500000000, 0.0012494800000000 ] - [ 0.0002838200000000, 0.0012430500000000, 0.0002626500000000 ] - [ 0.0011941800000000, 0.0009260700000000, 0.0000867400000000 ] - [ -0.0063855500000000, 0.0080217900000000, 0.0101003700000000 ] - [ 0.0017010600000000, -0.0001508400000000, -0.0002891700000000 ] - [ -0.0008336600000000, -0.0017665900000000, -0.0031133900000000 ] - [ -0.0022714500000000, -0.0012866600000000, -0.0014551100000000 ] - [ -0.0006039100000000, 0.0004569700000000, -0.0001063700000000 ] - [ 0.0009595200000000, 0.0003374600000000, -0.0016522600000000 ] - [ -0.0065792200000000, -0.0017896300000000, 0.0075841900000000 ] - [ 0.0012939800000000, -0.0001257600000000, 0.0010497900000000 ] - [ 0.0006356600000000, 0.0011665700000000, -0.0021361100000000 ] - [ -0.0002489900000000, -0.0000215300000000, -0.0000558300000000 ] - [ 0.0065412600000000, -0.0014944400000000, 0.0035901400000000 ] - [ -0.0017031300000000, -0.0006198900000000, 0.0024820200000000 ] - [ -0.0004145200000000, 0.0017542300000000, 0.0033919700000000 ] - [ 0.0016715500000000, 0.0001394500000000, 0.0023271700000000 ] - [ -0.0030916500000000, 0.0025488700000000, 0.0027714500000000 ] - [ 0.0015849200000000, 0.0016620900000000, 0.0000708400000000 ] - [ 0.0030741400000000, -0.0059757800000000, -0.0039287900000000 ] - [ -0.0002317200000000, -0.0009479000000000, 0.0009416100000000 ] - [ 0.0011838900000000, -0.0002997200000000, -0.0059731900000000 ] - [ -0.0023442900000000, -0.0003463600000000, -0.0019513600000000 ] - [ -0.0017268100000000, -0.0001593500000000, -0.0001725200000000 ] - [ 0.0097271300000000, -0.0040905500000000, -0.0123276800000000 ] - [ -0.0015804000000000, 0.0006028300000000, 0.0017866000000000 ] - [ 0.0003876000000000, 0.0003869700000000, 0.0004106600000000 ] - [ 0.0096556500000000, -0.0133226400000000, -0.0202144400000000 ] - [ -0.0004477200000000, -0.0002288200000000, 0.0000682000000000 ] - [ 0.0015376700000000, 0.0010257100000000, 0.0003717900000000 ] - [ -0.0014573600000000, 0.0004919400000000, 0.0018578300000000 ]- atom: 81 displacement: [ 0.0099999999206514, 0.0000000000000000, 0.0000012597509720 ] forces: - [ -0.0007102300000000, 0.0003271300000000, 0.0004682200000000 ] - [ 0.0003464300000000, -0.0002325500000000, -0.0002440700000000 ] - [ 0.0002505500000000, 0.0002286200000000, -0.0008983700000000 ] - [ 0.0002876900000000, 0.0000612500000000, 0.0002940600000000 ] - [ -0.0010440200000000, 0.0126960000000000, -0.0026042900000000 ] - [ 0.0008045000000000, -0.0001957100000000, -0.0001296000000000 ] - [ 0.0005413000000000, -0.0005894400000000, -0.0004461700000000 ] - [ -0.0003487600000000, 0.0004466600000000, 0.0010343100000000 ] - [ 0.0005100500000000, 0.0000008000000000, -0.0013836000000000 ] - [ 0.0012563600000000, -0.0008121100000000, 0.0003996500000000 ] - [ -0.0007194700000000, -0.0006235100000000, 0.0006094000000000 ] - [ -0.0007517700000000, -0.0007524700000000, -0.0004403500000000 ] - [ 0.0004477700000000, 0.0002616000000000, 0.0004262600000000 ] - [ 0.0023778000000000, 0.0044057300000000, 0.0025474500000000 ] - [ -0.0002624100000000, 0.0011362100000000, -0.0014299300000000 ] - [ 0.0009897200000000, 0.0006273200000000, -0.0001386600000000 ] - [ 0.0009488700000000, 0.0011833700000000, -0.0003853100000000 ] - [ 0.0011650900000000, 0.0001140000000000, 0.0000310000000000 ] - [ 0.0017999500000000, -0.0024438000000000, -0.0019673900000000 ] - [ 0.0001980000000000, 0.0000722900000000, 0.0011348200000000 ] - [ -0.0025817100000000, 0.0000108000000000, -0.0002275300000000 ] - [ 0.0000911600000000, -0.0000559000000000, 0.0002542200000000 ] - [ 0.0001694500000000, -0.0000948500000000, -0.0006180000000000 ] - [ 0.0008258200000000, -0.0002276400000000, -0.0001395100000000 ] - [ 0.0001593300000000, -0.0000021300000000, -0.0010580100000000 ] - [ 0.0000173700000000, -0.0001183400000000, -0.0002324300000000 ] - [ -0.0003100000000000, 0.0010351900000000, 0.0015824000000000 ] - [ 0.0017709000000000, -0.0011798900000000, 0.0001045000000000 ] - [ 0.0008104600000000, 0.0002695800000000, 0.0000650500000000 ] - [ -0.0009600700000000, 0.0000052600000000, 0.0015370800000000 ] - [ -0.0016360800000000, 0.0009048900000000, 0.0005651800000000 ] - [ 0.0004827600000000, -0.0000825600000000, -0.0005697400000000 ] - [ 0.0002545700000000, -0.0011653000000000, -0.0004987200000000 ] - [ 0.0000761700000000, 0.0002766900000000, 0.0004965200000000 ] - [ -0.0002286700000000, -0.0005033300000000, -0.0002923600000000 ] - [ -0.0002976000000000, -0.0004410500000000, -0.0005899600000000 ] - [ -0.0025953000000000, 0.0006295400000000, -0.0025982700000000 ] - [ 0.0009050600000000, 0.0004564100000000, 0.0005450100000000 ] - [ 0.0002796200000000, 0.0004456000000000, -0.0002046600000000 ] - [ -0.0007008800000000, 0.0004484200000000, 0.0000371100000000 ] - [ -0.0002432000000000, 0.0006689100000000, -0.0011742400000000 ] - [ 0.0000517200000000, 0.0004126000000000, -0.0001103800000000 ] - [ 0.0055218900000000, -0.0004601100000000, 0.0037635400000000 ] - [ 0.0016918400000000, 0.0008576100000000, 0.0008921000000000 ] - [ -0.0000479200000000, -0.0005746800000000, -0.0003615800000000 ] - [ -0.0004623300000000, -0.0002591100000000, 0.0014896200000000 ] - [ -0.0008211500000000, 0.0015771000000000, 0.0001857200000000 ] - [ 0.0002462100000000, -0.0005084200000000, -0.0003240500000000 ] - [ 0.0002374200000000, -0.0008002300000000, -0.0007326000000000 ] - [ -0.0000580400000000, -0.0003272700000000, 0.0003422600000000 ] - [ -0.0003630400000000, -0.0007726400000000, 0.0014178300000000 ] - [ 0.0014573400000000, 0.0005602000000000, -0.0010112500000000 ] - [ 0.0010507300000000, 0.0002123100000000, -0.0003726900000000 ] - [ 0.0010323800000000, -0.0020367500000000, 0.0059611000000000 ] - [ -0.0014397600000000, -0.0006767800000000, 0.0002919300000000 ] - [ 0.0004139200000000, 0.0004794100000000, 0.0000677800000000 ] - [ 0.0010709300000000, 0.0010936400000000, -0.0003728400000000 ] - [ 0.0003598000000000, -0.0004202900000000, 0.0010696900000000 ] - [ 0.0005100400000000, -0.0112696600000000, -0.0038277900000000 ] - [ 0.0004895900000000, 0.0004610300000000, -0.0002152900000000 ] - [ -0.0001498500000000, -0.0004790800000000, -0.0013001800000000 ] - [ -0.0001367800000000, -0.0003100300000000, 0.0000255800000000 ] - [ -0.0010317800000000, -0.0007992000000000, 0.0009139400000000 ] - [ 0.0008451000000000, -0.0001924500000000, -0.0000810600000000 ] - [ 0.0012419200000000, -0.0021199400000000, -0.0018681200000000 ] - [ 0.0003285200000000, -0.0001458700000000, 0.0006146800000000 ] - [ -0.0000531700000000, -0.0002959100000000, 0.0000052200000000 ] - [ -0.0001597100000000, -0.0001803200000000, -0.0009151300000000 ] - [ 0.0008169500000000, 0.0006495600000000, 0.0001566000000000 ] - [ 0.0011578900000000, -0.0010241900000000, 0.0004616900000000 ] - [ -0.0006712200000000, -0.0001866600000000, -0.0008920400000000 ] - [ 0.0003374800000000, 0.0002539000000000, 0.0005359600000000 ] - [ -0.0010020000000000, -0.0001968000000000, -0.0002389400000000 ] - [ -0.0003381000000000, -0.0000551900000000, 0.0002092800000000 ] - [ -0.0024042400000000, -0.0005063200000000, 0.0008286100000000 ] - [ 0.0011115200000000, -0.0000853400000000, -0.0001027900000000 ] - [ 0.0032910900000000, 0.0041427700000000, -0.0026961200000000 ] - [ 0.0013978200000000, -0.0000758300000000, 0.0004192100000000 ] - [ 0.0063965300000000, -0.0023868600000000, -0.0073582000000000 ] - [ 0.0016762400000000, 0.0001662500000000, 0.0013217500000000 ] - [ -0.0428536000000000, 0.0042979100000000, 0.0193134700000000 ] - [ 0.0005865100000000, 0.0001096400000000, -0.0002590000000000 ] - [ 0.0001645600000000, 0.0001023900000000, -0.0000424600000000 ] - [ -0.0003350200000000, 0.0001216400000000, 0.0002564900000000 ] - [ 0.0003673800000000, -0.0001514900000000, -0.0010474600000000 ] - [ 0.0001602300000000, -0.0000471700000000, 0.0000847600000000 ] - [ -0.0002992500000000, -0.0004568600000000, 0.0005326200000000 ] - [ 0.0001498900000000, -0.0000539500000000, 0.0000135200000000 ] - [ -0.0003232000000000, -0.0009795400000000, 0.0019698200000000 ] - [ -0.0010182500000000, -0.0007293800000000, -0.0003275400000000 ] - [ -0.0028742500000000, -0.0019005600000000, -0.0037173200000000 ] - [ -0.0060683900000000, -0.0003798400000000, 0.0009713200000000 ] - [ -0.0017313700000000, -0.0005926000000000, 0.0014473100000000 ] - [ 0.0038956100000000, -0.0015439000000000, -0.0016585500000000 ] - [ 0.0018703200000000, -0.0004029000000000, -0.0021736100000000 ] - [ -0.0001120700000000, -0.0003010700000000, -0.0007521700000000 ] - [ 0.0008268700000000, 0.0021644800000000, 0.0028039000000000 ] - [ -0.0014188400000000, -0.0003727300000000, -0.0000294300000000 ] - [ -0.0021732500000000, -0.0012909300000000, -0.0007029200000000 ] - [ -0.0014736400000000, 0.0013653400000000, -0.0017692000000000 ] - [ 0.0016747100000000, 0.0010242900000000, -0.0016158000000000 ] - [ -0.0005420300000000, -0.0001904400000000, 0.0003660300000000 ] - [ 0.0000120600000000, 0.0008151800000000, 0.0022423600000000 ] - [ -0.0007697500000000, 0.0002512700000000, -0.0001800100000000 ] - [ 0.0011513900000000, -0.0022954000000000, 0.0016228100000000 ] - [ -0.0016140400000000, 0.0008822200000000, 0.0003678700000000 ] - [ -0.0015784700000000, 0.0017175700000000, -0.0001700500000000 ] - [ -0.0000219600000000, 0.0004732200000000, -0.0041759700000000 ] - [ 0.0006556500000000, 0.0003152100000000, 0.0003017800000000 ] - [ 0.0006421700000000, 0.0004222900000000, -0.0011658600000000 ] - [ 0.0023268700000000, -0.0012868900000000, -0.0016273500000000 ] - [ -0.0004707700000000, -0.0003258100000000, 0.0006302800000000 ] - [ -0.0010483200000000, 0.0028791900000000, -0.0014604000000000 ] - [ -0.0018391500000000, -0.0010240000000000, 0.0006931200000000 ] - [ 0.0001050300000000, -0.0004784600000000, 0.0023877000000000 ] - [ -0.0005998400000000, 0.0003115500000000, -0.0007122600000000 ] - [ 0.0088529400000000, 0.0029677300000000, -0.0036333400000000 ] - [ -0.0016012800000000, -0.0002092400000000, -0.0002221900000000 ] - [ -0.0001632800000000, -0.0001529600000000, 0.0005476700000000 ] - [ 0.0008700700000000, -0.0000418200000000, -0.0002027300000000 ] - [ -0.0006439200000000, 0.0011092700000000, 0.0002732700000000 ] - [ -0.0002316000000000, 0.0008670600000000, -0.0008600400000000 ] - [ 0.0129219600000000, -0.0005344200000000, -0.0015534100000000 ] - [ -0.0015006900000000, 0.0010981200000000, -0.0003625200000000 ] - [ 0.0021107300000000, -0.0011425700000000, 0.0039119800000000 ] - [ -0.0005204200000000, -0.0010538000000000, -0.0004592500000000 ] - [ 0.0008710200000000, -0.0008530100000000, -0.0002907900000000 ] - [ -0.0007125500000000, -0.0008928700000000, -0.0001121400000000 ] - [ -0.0002125100000000, -0.0004419100000000, -0.0009492900000000 ] - [ -0.0008370100000000, 0.0011486100000000, -0.0001752100000000 ] - [ -0.0000489300000000, 0.0005057200000000, 0.0028422300000000 ] - [ -0.0007551000000000, 0.0001466700000000, -0.0008070900000000 ] - [ 0.0089825900000000, -0.0053766000000000, -0.0024856300000000 ] - [ -0.0016970000000000, -0.0003158600000000, -0.0000066200000000 ] - [ -0.0002597500000000, -0.0000065100000000, 0.0002352900000000 ] - [ 0.0011785700000000, -0.0001832300000000, -0.0001621600000000 ]- atom: 81 displacement: [ -0.0099999999206514, 0.0000000000000000, -0.0000012597509720 ] forces: - [ 0.0004010100000000, -0.0002456900000000, -0.0003519400000000 ] - [ -0.0006643000000000, 0.0003135600000000, 0.0003638500000000 ] - [ 0.0000586400000000, -0.0001422600000000, 0.0007899100000000 ] - [ 0.0000313300000000, 0.0000230600000000, -0.0004151000000000 ] - [ 0.0014086000000000, -0.0128457400000000, 0.0024961500000000 ] - [ -0.0004901600000000, 0.0001108900000000, 0.0000124700000000 ] - [ -0.0008632600000000, 0.0005143500000000, 0.0005692200000000 ] - [ 0.0000324000000000, -0.0005301800000000, -0.0009159100000000 ] - [ 0.0006724600000000, -0.0012908200000000, 0.0008026700000000 ] - [ -0.0000475800000000, -0.0004756200000000, -0.0009994700000000 ] - [ -0.0004847900000000, -0.0006664700000000, -0.0000110800000000 ] - [ -0.0004545200000000, -0.0005393000000000, 0.0010378600000000 ] - [ -0.0016619800000000, 0.0010349100000000, 0.0001672700000000 ] - [ -0.0035842300000000, -0.0030810700000000, -0.0019479900000000 ] - [ 0.0014759300000000, 0.0001506300000000, 0.0008327400000000 ] - [ 0.0002182000000000, 0.0006622800000000, -0.0004566400000000 ] - [ 0.0002362900000000, -0.0009014600000000, -0.0000675200000000 ] - [ 0.0000124500000000, 0.0001677100000000, -0.0004812500000000 ] - [ -0.0030080900000000, 0.0027663900000000, 0.0024387200000000 ] - [ -0.0013789200000000, 0.0002111800000000, -0.0006863700000000 ] - [ 0.0014129200000000, -0.0002820400000000, 0.0006899500000000 ] - [ -0.0012717800000000, -0.0002280500000000, 0.0001934300000000 ] - [ 0.0010113200000000, -0.0001912300000000, 0.0001765500000000 ] - [ 0.0003539400000000, -0.0000544200000000, -0.0003106700000000 ] - [ -0.0001579400000000, -0.0000910000000000, 0.0000887400000000 ] - [ -0.0000104700000000, 0.0000275200000000, -0.0007434900000000 ] - [ 0.0003144100000000, -0.0011368100000000, -0.0006169600000000 ] - [ -0.0017711800000000, 0.0010830100000000, 0.0008723000000000 ] - [ -0.0008210500000000, -0.0001781800000000, 0.0009139500000000 ] - [ 0.0009589900000000, 0.0000879500000000, -0.0005688500000000 ] - [ 0.0016467800000000, -0.0008214600000000, -0.0015466100000000 ] - [ -0.0004795000000000, 0.0001736900000000, -0.0004046500000000 ] - [ -0.0013239800000000, 0.0013473000000000, 0.0008155900000000 ] - [ -0.0011548300000000, -0.0000917900000000, -0.0001777300000000 ] - [ -0.0002949900000000, -0.0003458200000000, -0.0003248400000000 ] - [ -0.0002305500000000, -0.0004075400000000, -0.0000294400000000 ] - [ 0.0031568500000000, 0.0002198500000000, 0.0032370200000000 ] - [ -0.0003801200000000, 0.0003926200000000, 0.0000767300000000 ] - [ -0.0008064300000000, 0.0004024600000000, -0.0004154500000000 ] - [ 0.0001703500000000, 0.0003988600000000, -0.0006614400000000 ] - [ -0.0000149400000000, 0.0003140200000000, 0.0002070600000000 ] - [ -0.0003098300000000, 0.0005730100000000, -0.0008609900000000 ] - [ -0.0053492900000000, 0.0014674700000000, -0.0028428400000000 ] - [ -0.0014296200000000, 0.0001321000000000, 0.0000788500000000 ] - [ 0.0003063600000000, -0.0004121400000000, 0.0013380100000000 ] - [ 0.0007260200000000, -0.0007286000000000, -0.0005199500000000 ] - [ 0.0005715400000000, -0.0025976200000000, -0.0011662000000000 ] - [ -0.0005059300000000, -0.0004774500000000, -0.0006471700000000 ] - [ -0.0004420800000000, 0.0000936900000000, 0.0008926700000000 ] - [ -0.0001393000000000, -0.0003834200000000, -0.0001898700000000 ] - [ 0.0005797400000000, 0.0000699600000000, -0.0015870900000000 ] - [ -0.0012543700000000, -0.0012654500000000, 0.0008570300000000 ] - [ -0.0008582700000000, 0.0004980000000000, 0.0002218700000000 ] - [ -0.0008452000000000, 0.0027335500000000, -0.0060825600000000 ] - [ 0.0012449100000000, 0.0013895400000000, -0.0001436500000000 ] - [ -0.0006152700000000, 0.0002295400000000, 0.0000863000000000 ] - [ -0.0007105500000000, -0.0004454500000000, 0.0009468200000000 ] - [ 0.0000098500000000, 0.0010812200000000, -0.0005044400000000 ] - [ -0.0008297100000000, 0.0120086100000000, 0.0032765800000000 ] - [ -0.0008596900000000, 0.0001999900000000, -0.0003522500000000 ] - [ -0.0002228900000000, -0.0001829200000000, 0.0007386900000000 ] - [ -0.0002306400000000, -0.0003512600000000, -0.0005953900000000 ] - [ 0.0014197700000000, 0.0001344400000000, -0.0003474500000000 ] - [ -0.0004789600000000, -0.0004652500000000, 0.0006499700000000 ] - [ -0.0013155600000000, 0.0016744100000000, 0.0024100100000000 ] - [ -0.0003892900000000, -0.0003232500000000, -0.0001004600000000 ] - [ 0.0001267500000000, -0.0001749000000000, -0.0005098000000000 ] - [ 0.0002239400000000, -0.0002841400000000, 0.0003992600000000 ] - [ -0.0007589200000000, -0.0001894400000000, -0.0006790000000000 ] - [ -0.0011073800000000, 0.0014881700000000, -0.0009833700000000 ] - [ 0.0006147500000000, 0.0006565900000000, 0.0014063600000000 ] - [ -0.0003985400000000, 0.0002129500000000, -0.0000176500000000 ] - [ -0.0000738300000000, 0.0000103700000000, 0.0005636300000000 ] - [ -0.0007388100000000, -0.0001304100000000, 0.0001097900000000 ] - [ 0.0035102100000000, 0.0003019500000000, -0.0010648300000000 ] - [ -0.0000343500000000, -0.0000982800000000, -0.0002177900000000 ] - [ -0.0022505000000000, -0.0040211500000000, 0.0024056400000000 ] - [ -0.0003241400000000, 0.0002596100000000, -0.0007397700000000 ] - [ -0.0058143300000000, 0.0015010200000000, 0.0078786200000000 ] - [ -0.0011573300000000, -0.0010208400000000, -0.0007133000000000 ] - [ 0.0439438200000000, -0.0037748800000000, -0.0204669900000000 ] - [ -0.0004070900000000, 0.0001568300000000, -0.0001097500000000 ] - [ -0.0003461500000000, 0.0001625300000000, 0.0004129800000000 ] - [ 0.0001554100000000, 0.0001438000000000, 0.0001109300000000 ] - [ -0.0001886100000000, -0.0001137100000000, 0.0006829200000000 ] - [ 0.0000220100000000, -0.0002189100000000, -0.0004547100000000 ] - [ 0.0001231500000000, 0.0001911500000000, -0.0001669000000000 ] - [ -0.0003323700000000, -0.0002122800000000, 0.0003551700000000 ] - [ -0.0010915500000000, -0.0006669100000000, -0.0010874900000000 ] - [ -0.0004033900000000, -0.0009205800000000, 0.0012338700000000 ] - [ 0.0014092800000000, 0.0025440000000000, 0.0051778900000000 ] - [ 0.0045808700000000, 0.0009935600000000, 0.0004312800000000 ] - [ 0.0002669500000000, -0.0000251300000000, -0.0000497100000000 ] - [ -0.0053837800000000, 0.0009223400000000, 0.0030918800000000 ] - [ -0.0003919800000000, -0.0002075700000000, 0.0007861400000000 ] - [ 0.0015866000000000, -0.0003165800000000, -0.0006556200000000 ] - [ -0.0018240200000000, -0.0027502600000000, -0.0021651900000000 ] - [ 0.0004320100000000, -0.0002249300000000, 0.0006492300000000 ] - [ 0.0031920200000000, 0.0007077800000000, 0.0000869300000000 ] - [ 0.0024713200000000, -0.0019640400000000, 0.0011476400000000 ] - [ -0.0007374300000000, -0.0004193200000000, 0.0009868800000000 ] - [ 0.0015348900000000, 0.0007840200000000, -0.0009894300000000 ] - [ -0.0010013700000000, -0.0002155600000000, -0.0016375800000000 ] - [ -0.0002216100000000, 0.0003477300000000, 0.0008041900000000 ] - [ -0.0025768900000000, 0.0039406000000000, -0.0007058000000000 ] - [ 0.0001978300000000, 0.0007681200000000, 0.0005328200000000 ] - [ 0.0030218800000000, -0.0000821200000000, -0.0007346200000000 ] - [ 0.0014495900000000, 0.0011786500000000, 0.0032751600000000 ] - [ 0.0008203300000000, 0.0003040800000000, -0.0017155700000000 ] - [ 0.0008265600000000, 0.0001956800000000, -0.0002409900000000 ] - [ -0.0009271700000000, -0.0003639000000000, 0.0007275900000000 ] - [ 0.0018932100000000, -0.0013190700000000, -0.0015341700000000 ] - [ 0.0013086000000000, -0.0024465300000000, 0.0013198800000000 ] - [ 0.0021241000000000, 0.0014815800000000, -0.0008341100000000 ] - [ -0.0003838000000000, 0.0009534300000000, -0.0022568200000000 ] - [ 0.0003255300000000, 0.0001522800000000, 0.0008599200000000 ] - [ -0.0091905600000000, -0.0034528000000000, 0.0038145100000000 ] - [ 0.0013337300000000, -0.0002569300000000, 0.0003715800000000 ] - [ 0.0004427400000000, -0.0003087200000000, -0.0007052400000000 ] - [ -0.0005977200000000, -0.0004190100000000, 0.0000571900000000 ] - [ 0.0003230200000000, 0.0007881300000000, -0.0009889000000000 ] - [ -0.0000852400000000, 0.0010283800000000, 0.0001470900000000 ] - [ -0.0135390400000000, 0.0023787200000000, 0.0029623900000000 ] - [ 0.0018225600000000, 0.0007980000000000, 0.0010735500000000 ] - [ -0.0017611000000000, -0.0007684200000000, -0.0032107900000000 ] - [ 0.0008403900000000, -0.0008427200000000, 0.0011800800000000 ] - [ -0.0011990100000000, -0.0010359800000000, -0.0004328000000000 ] - [ 0.0003975100000000, -0.0010034100000000, -0.0006033900000000 ] - [ 0.0006304300000000, 0.0007137600000000, 0.0006000900000000 ] - [ 0.0012726900000000, -0.0008818000000000, -0.0001760600000000 ] - [ -0.0003772300000000, -0.0002497800000000, -0.0025080700000000 ] - [ 0.0003284600000000, 0.0001167000000000, 0.0011585800000000 ] - [ -0.0094298100000000, 0.0049788800000000, 0.0027770800000000 ] - [ 0.0012808800000000, 0.0000533600000000, 0.0003606400000000 ] - [ 0.0006876500000000, -0.0002580100000000, -0.0006000100000000 ] - [ -0.0007556300000000, -0.0000837900000000, -0.0001884000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003307400000000, 0.0017334400000000, 0.0004195500000000 ] - [ -0.0006286000000000, 0.0004181000000000, 0.0002554700000000 ] - [ 0.0005269500000000, -0.0009894900000000, -0.0009716000000000 ] - [ -0.0000084200000000, -0.0002886000000000, -0.0000329800000000 ] - [ 0.0112662400000000, 0.0182165500000000, -0.0098233200000000 ] - [ -0.0000844700000000, -0.0002233100000000, -0.0000330800000000 ] - [ -0.0002428800000000, 0.0001121700000000, 0.0000767300000000 ] - [ 0.0000258000000000, 0.0006593400000000, 0.0010942000000000 ] - [ 0.0053046900000000, -0.0000070200000000, -0.0042820800000000 ] - [ -0.0000554800000000, -0.0007278700000000, -0.0007421300000000 ] - [ 0.0000750300000000, -0.0002698600000000, 0.0011332700000000 ] - [ -0.0007248600000000, -0.0006238000000000, 0.0001136300000000 ] - [ -0.0011215600000000, 0.0004098400000000, 0.0005595600000000 ] - [ 0.0057076600000000, 0.0030344200000000, 0.0045213400000000 ] - [ 0.0004109100000000, 0.0015633300000000, -0.0025979000000000 ] - [ 0.0004780500000000, 0.0007159400000000, -0.0002380500000000 ] - [ 0.0029871900000000, 0.0032123800000000, -0.0010213300000000 ] - [ 0.0000907600000000, 0.0006623600000000, -0.0007169300000000 ] - [ -0.0004517000000000, -0.0010711300000000, 0.0002714300000000 ] - [ 0.0004173300000000, -0.0007253100000000, 0.0009630200000000 ] - [ 0.0017474900000000, 0.0002720900000000, 0.0053049700000000 ] - [ -0.0009031900000000, -0.0003085800000000, 0.0001916500000000 ] - [ 0.0002594600000000, 0.0005215400000000, -0.0014586000000000 ] - [ 0.0004832200000000, 0.0000389700000000, -0.0001137300000000 ] - [ 0.0005256500000000, 0.0009821300000000, -0.0012066400000000 ] - [ -0.0000750600000000, 0.0002490500000000, -0.0005539100000000 ] - [ 0.0011005900000000, -0.0007537800000000, 0.0007494800000000 ] - [ -0.0007237800000000, -0.0003225300000000, 0.0006534200000000 ] - [ -0.0001552400000000, -0.0004050700000000, 0.0005007400000000 ] - [ -0.0002613600000000, -0.0017691500000000, 0.0014333700000000 ] - [ -0.0009224800000000, 0.0054986800000000, -0.0004836300000000 ] - [ -0.0002126000000000, 0.0004001000000000, -0.0004144700000000 ] - [ -0.0032797500000000, 0.0032452000000000, 0.0016081300000000 ] - [ -0.0001028600000000, 0.0007258500000000, 0.0005376300000000 ] - [ -0.0006373800000000, 0.0001202700000000, -0.0006942800000000 ] - [ -0.0003913500000000, 0.0001414400000000, -0.0000907700000000 ] - [ 0.0005821500000000, -0.0011203000000000, -0.0001128400000000 ] - [ 0.0003286300000000, -0.0000134700000000, 0.0001650500000000 ] - [ -0.0002240900000000, 0.0009273000000000, -0.0003779700000000 ] - [ 0.0004086800000000, 0.0023543600000000, -0.0002361700000000 ] - [ -0.0000379700000000, 0.0013015400000000, -0.0003224400000000 ] - [ -0.0002306700000000, 0.0010687400000000, -0.0005967600000000 ] - [ -0.0002804400000000, -0.0017033900000000, 0.0006653800000000 ] - [ 0.0000198800000000, -0.0009383500000000, 0.0000876500000000 ] - [ 0.0002730200000000, -0.0010850400000000, 0.0007824100000000 ] - [ 0.0001467900000000, -0.0010763200000000, -0.0007686300000000 ] - [ -0.0008570700000000, 0.0081653800000000, 0.0009328900000000 ] - [ -0.0001493700000000, -0.0001877100000000, -0.0004955700000000 ] - [ -0.0011839800000000, 0.0013447100000000, 0.0014814300000000 ] - [ -0.0002721500000000, 0.0000906800000000, 0.0001871000000000 ] - [ -0.0010243900000000, -0.0016478400000000, 0.0000658800000000 ] - [ -0.0004689400000000, -0.0013149600000000, 0.0001946900000000 ] - [ 0.0004198900000000, -0.0000196400000000, -0.0001572800000000 ] - [ -0.0027958400000000, 0.0003510600000000, -0.0062177100000000 ] - [ 0.0008415800000000, 0.0029324700000000, 0.0007791400000000 ] - [ 0.0001005900000000, 0.0006730800000000, -0.0000644800000000 ] - [ 0.0003949400000000, 0.0005932100000000, 0.0003137800000000 ] - [ -0.0003019500000000, 0.0013636800000000, -0.0006505300000000 ] - [ -0.0127471400000000, 0.0158691000000000, 0.0097419800000000 ] - [ 0.0000515200000000, 0.0001172300000000, -0.0002390200000000 ] - [ -0.0002251800000000, -0.0004682800000000, 0.0006962200000000 ] - [ -0.0002304500000000, -0.0002799900000000, -0.0005073800000000 ] - [ -0.0021672900000000, 0.0001517300000000, -0.0016277300000000 ] - [ 0.0007412800000000, -0.0004609800000000, -0.0000847800000000 ] - [ -0.0043700200000000, 0.0060247100000000, 0.0065707600000000 ] - [ 0.0001081400000000, -0.0001180900000000, 0.0003413200000000 ] - [ -0.0006514600000000, -0.0001223300000000, -0.0015525700000000 ] - [ 0.0000755100000000, -0.0005798800000000, -0.0000030100000000 ] - [ 0.0005392700000000, 0.0001602900000000, -0.0001727200000000 ] - [ -0.0041147500000000, 0.0015245200000000, -0.0027358900000000 ] - [ -0.0000091000000000, 0.0004533400000000, 0.0022895800000000 ] - [ -0.0000526000000000, 0.0002838200000000, 0.0001100600000000 ] - [ 0.0002604800000000, 0.0011941600000000, 0.0006586900000000 ] - [ -0.0005804500000000, 0.0002766900000000, -0.0000048600000000 ] - [ -0.0007152000000000, -0.0034079100000000, -0.0075048600000000 ] - [ 0.0005771100000000, -0.0004950600000000, -0.0002686600000000 ] - [ 0.0011452200000000, -0.0005071400000000, -0.0004112700000000 ] - [ -0.0008680400000000, -0.0003880800000000, -0.0008204800000000 ] - [ -0.0031310000000000, -0.0038721000000000, 0.0033412800000000 ] - [ 0.0000965400000000, -0.0009534600000000, 0.0002174900000000 ] - [ 0.0037550900000000, -0.1165892800000000, 0.0134780000000000 ] - [ 0.0000681900000000, -0.0001846000000000, -0.0001709500000000 ] - [ -0.0000600900000000, 0.0006174200000000, 0.0002331800000000 ] - [ -0.0000793700000000, 0.0008536200000000, 0.0002749100000000 ] - [ 0.0001123000000000, -0.0007315300000000, -0.0002035000000000 ] - [ 0.0000039600000000, -0.0005913500000000, -0.0002945700000000 ] - [ -0.0004175700000000, 0.0009613600000000, 0.0001415200000000 ] - [ -0.0000080000000000, 0.0009347000000000, 0.0001452600000000 ] - [ -0.0008126900000000, -0.0011820400000000, 0.0044252600000000 ] - [ -0.0004747100000000, -0.0008312700000000, 0.0008052400000000 ] - [ -0.0010431500000000, 0.0027935400000000, 0.0004407100000000 ] - [ 0.0015049400000000, 0.0023373500000000, 0.0010728200000000 ] - [ -0.0008763100000000, 0.0006480500000000, 0.0007716600000000 ] - [ -0.0017985100000000, 0.0040308300000000, 0.0028629000000000 ] - [ -0.0003361400000000, -0.0067849300000000, -0.0031711000000000 ] - [ 0.0007624500000000, -0.0009721100000000, -0.0006177700000000 ] - [ -0.0002756300000000, -0.0055336300000000, -0.0056505700000000 ] - [ -0.0009677500000000, -0.0004543900000000, 0.0003918700000000 ] - [ -0.0004399700000000, -0.0001234200000000, -0.0001467600000000 ] - [ 0.0031662900000000, -0.0012243400000000, 0.0024351500000000 ] - [ 0.0035879600000000, 0.0012354500000000, 0.0020364700000000 ] - [ 0.0005016600000000, 0.0010797400000000, -0.0002791900000000 ] - [ -0.0009232600000000, -0.0015125200000000, -0.0038277400000000 ] - [ -0.0003650900000000, -0.0001439700000000, 0.0003021900000000 ] - [ -0.0005400700000000, -0.0059939300000000, 0.0046313300000000 ] - [ -0.0001102900000000, 0.0007103400000000, 0.0003199300000000 ] - [ 0.0010022700000000, 0.0011500100000000, -0.0008763000000000 ] - [ -0.0006330500000000, 0.0017881200000000, -0.0053785400000000 ] - [ 0.0008955600000000, -0.0015522500000000, -0.0011676700000000 ] - [ 0.0011354000000000, -0.0005961200000000, -0.0006249800000000 ] - [ -0.0024023100000000, -0.0025887300000000, -0.0014296500000000 ] - [ 0.0013342000000000, -0.0009368400000000, -0.0005105300000000 ] - [ 0.0041493600000000, 0.0001035100000000, 0.0008718300000000 ] - [ -0.0034763200000000, -0.0003720300000000, 0.0001420600000000 ] - [ -0.0006683600000000, 0.0003352000000000, 0.0006254000000000 ] - [ 0.0000509300000000, 0.0001336600000000, 0.0004067300000000 ] - [ 0.0035633600000000, 0.0357120500000000, -0.0115441500000000 ] - [ 0.0001117100000000, 0.0000423700000000, 0.0001268100000000 ] - [ 0.0000621400000000, -0.0007574000000000, -0.0009126000000000 ] - [ 0.0005803200000000, -0.0010230200000000, 0.0009970900000000 ] - [ -0.0001532800000000, -0.0011644300000000, -0.0005678300000000 ] - [ -0.0003046200000000, -0.0010109100000000, -0.0004461300000000 ] - [ -0.0012578800000000, 0.0145660600000000, 0.0008535000000000 ] - [ 0.0003815400000000, 0.0023983900000000, 0.0003693600000000 ] - [ -0.0006297700000000, 0.0030836100000000, -0.0009251800000000 ] - [ 0.0005022900000000, -0.0000833800000000, 0.0007238700000000 ] - [ 0.0007061400000000, -0.0046922000000000, 0.0015726800000000 ] - [ -0.0001251600000000, -0.0018981100000000, -0.0003363400000000 ] - [ -0.0010020700000000, -0.0014717700000000, -0.0009368000000000 ] - [ 0.0027660200000000, -0.0025349100000000, 0.0002334300000000 ] - [ -0.0003404900000000, 0.0014937100000000, -0.0000525700000000 ] - [ 0.0001341800000000, 0.0007839600000000, 0.0003330100000000 ] - [ -0.0003921100000000, 0.0260451500000000, -0.0001924700000000 ] - [ -0.0002510800000000, 0.0001931200000000, 0.0001194000000000 ] - [ 0.0002779000000000, -0.0007681600000000, 0.0007051300000000 ] - [ -0.0001274600000000, -0.0006369200000000, -0.0011861600000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006584600000000, -0.0016428600000000, -0.0003024600000000 ] - [ 0.0003201200000000, -0.0003310700000000, -0.0001420400000000 ] - [ -0.0002089900000000, 0.0010602100000000, 0.0008388100000000 ] - [ 0.0003242200000000, 0.0003675500000000, -0.0000853600000000 ] - [ -0.0112062000000000, -0.0185755100000000, 0.0098813800000000 ] - [ 0.0004044400000000, 0.0001425400000000, -0.0000857500000000 ] - [ -0.0000684800000000, -0.0002083400000000, 0.0000370700000000 ] - [ -0.0003450800000000, -0.0007506600000000, -0.0009686900000000 ] - [ -0.0040238100000000, -0.0012881100000000, 0.0036340100000000 ] - [ 0.0012647100000000, -0.0005673400000000, 0.0001485900000000 ] - [ -0.0012897600000000, -0.0010190300000000, -0.0005404000000000 ] - [ -0.0004830200000000, -0.0006630700000000, 0.0004772200000000 ] - [ -0.0000797800000000, 0.0008715600000000, 0.0000385600000000 ] - [ -0.0068670900000000, -0.0017515900000000, -0.0038715000000000 ] - [ 0.0007999900000000, -0.0002647900000000, 0.0020169200000000 ] - [ 0.0007317300000000, 0.0005760600000000, -0.0003578700000000 ] - [ -0.0018272200000000, -0.0029433400000000, 0.0005826000000000 ] - [ 0.0010972400000000, -0.0003781700000000, 0.0002761900000000 ] - [ -0.0006966200000000, 0.0013136800000000, 0.0001552600000000 ] - [ -0.0015971800000000, 0.0010019300000000, -0.0005075700000000 ] - [ -0.0029556100000000, -0.0005403400000000, -0.0048913200000000 ] - [ -0.0002721700000000, 0.0000290000000000, 0.0002556200000000 ] - [ 0.0009136200000000, -0.0008092500000000, 0.0009925600000000 ] - [ 0.0006982400000000, -0.0003247900000000, -0.0003354000000000 ] - [ -0.0005156700000000, -0.0010760200000000, 0.0002187800000000 ] - [ 0.0000765300000000, -0.0003449300000000, -0.0004192300000000 ] - [ -0.0011118700000000, 0.0006819600000000, 0.0002368400000000 ] - [ 0.0007187500000000, 0.0002391900000000, 0.0003179700000000 ] - [ 0.0001581400000000, 0.0004953100000000, 0.0004699300000000 ] - [ 0.0002374500000000, 0.0018389000000000, -0.0004620400000000 ] - [ 0.0009120400000000, -0.0054014900000000, -0.0004694100000000 ] - [ 0.0002192500000000, -0.0003070300000000, -0.0005606800000000 ] - [ 0.0021842700000000, -0.0030520300000000, -0.0012822600000000 ] - [ -0.0009692600000000, -0.0005423000000000, -0.0002129700000000 ] - [ 0.0001045700000000, -0.0009700900000000, 0.0000677700000000 ] - [ -0.0001290100000000, -0.0009922900000000, -0.0005318000000000 ] - [ -0.0000608000000000, 0.0019661100000000, 0.0006675300000000 ] - [ 0.0002009900000000, 0.0008613000000000, 0.0004547000000000 ] - [ -0.0003047700000000, -0.0000795900000000, -0.0002420000000000 ] - [ -0.0009240100000000, -0.0015062000000000, -0.0003694700000000 ] - [ -0.0002203600000000, -0.0003107000000000, -0.0006548900000000 ] - [ -0.0000286500000000, -0.0000807400000000, -0.0003721500000000 ] - [ 0.0006081600000000, 0.0026682300000000, 0.0003510700000000 ] - [ 0.0002371600000000, 0.0019188200000000, 0.0008843500000000 ] - [ -0.0000122100000000, 0.0001021200000000, 0.0001843800000000 ] - [ 0.0001029400000000, 0.0000981900000000, 0.0017239800000000 ] - [ 0.0005772500000000, -0.0090751800000000, -0.0018834500000000 ] - [ -0.0001073400000000, -0.0008012200000000, -0.0004742800000000 ] - [ 0.0009992800000000, -0.0020666100000000, -0.0013488500000000 ] - [ 0.0000693600000000, -0.0007987400000000, -0.0000324300000000 ] - [ 0.0012188800000000, 0.0009300000000000, -0.0002021200000000 ] - [ 0.0006717800000000, 0.0006026800000000, -0.0003518600000000 ] - [ -0.0002113500000000, 0.0007287100000000, 0.0000017100000000 ] - [ 0.0029636300000000, 0.0004189500000000, 0.0060785500000000 ] - [ -0.0010472900000000, -0.0022326700000000, -0.0006080000000000 ] - [ -0.0002984700000000, 0.0000349700000000, 0.0002178100000000 ] - [ -0.0000163300000000, 0.0000811500000000, 0.0002478700000000 ] - [ 0.0006641100000000, -0.0006908200000000, 0.0012235300000000 ] - [ 0.0121401800000000, -0.0150026900000000, -0.0101402100000000 ] - [ -0.0004153900000000, 0.0005390800000000, -0.0003285900000000 ] - [ -0.0001403500000000, -0.0001815000000000, -0.0012812900000000 ] - [ -0.0001398300000000, -0.0003761800000000, -0.0000605800000000 ] - [ 0.0025053200000000, -0.0008313900000000, 0.0021837600000000 ] - [ -0.0003648900000000, -0.0002035600000000, 0.0006492500000000 ] - [ 0.0043807700000000, -0.0065831000000000, -0.0061513600000000 ] - [ -0.0001704100000000, -0.0003453900000000, 0.0001758100000000 ] - [ 0.0007140400000000, -0.0003530300000000, 0.0010389600000000 ] - [ -0.0000145800000000, 0.0001060900000000, -0.0005204700000000 ] - [ -0.0004742000000000, 0.0003157300000000, -0.0003382700000000 ] - [ 0.0042136200000000, -0.0010451300000000, 0.0022654300000000 ] - [ -0.0000551900000000, 0.0000013400000000, -0.0017643100000000 ] - [ -0.0000093000000000, 0.0001793600000000, 0.0004074800000000 ] - [ -0.0013451700000000, -0.0013769000000000, -0.0003541900000000 ] - [ -0.0004950100000000, -0.0004594700000000, 0.0003235200000000 ] - [ 0.0017752200000000, 0.0031485600000000, 0.0072024500000000 ] - [ 0.0005038600000000, 0.0003073700000000, -0.0000528700000000 ] - [ -0.0000310800000000, 0.0007523800000000, 0.0000600800000000 ] - [ 0.0019400200000000, 0.0005786500000000, 0.0005070200000000 ] - [ 0.0036424800000000, 0.0030594200000000, -0.0027027000000000 ] - [ 0.0004437800000000, 0.0001130500000000, 0.0004112800000000 ] - [ -0.0043155700000000, 0.1166810300000000, -0.0126274200000000 ] - [ 0.0001153600000000, 0.0004499900000000, -0.0001982100000000 ] - [ -0.0001200600000000, -0.0003517100000000, 0.0001328900000000 ] - [ -0.0001013500000000, -0.0005866800000000, 0.0000963000000000 ] - [ 0.0000746600000000, 0.0004669500000000, -0.0001725600000000 ] - [ 0.0001757900000000, 0.0003262000000000, -0.0000724200000000 ] - [ 0.0002304400000000, -0.0012307100000000, 0.0002301600000000 ] - [ -0.0001663300000000, -0.0012026600000000, 0.0002230000000000 ] - [ -0.0006009100000000, -0.0004550900000000, -0.0034697900000000 ] - [ -0.0009461200000000, -0.0008111900000000, 0.0000948900000000 ] - [ -0.0004534800000000, -0.0022112100000000, 0.0009125100000000 ] - [ -0.0029621300000000, -0.0017182400000000, 0.0003368000000000 ] - [ -0.0006013000000000, -0.0012670800000000, 0.0006425900000000 ] - [ 0.0003736100000000, -0.0046563800000000, -0.0013853600000000 ] - [ 0.0017971700000000, 0.0061647000000000, 0.0017232400000000 ] - [ 0.0007086400000000, 0.0003545000000000, -0.0007890000000000 ] - [ -0.0007144100000000, 0.0049521900000000, 0.0062502600000000 ] - [ -0.0000287600000000, -0.0001393100000000, 0.0002280600000000 ] - [ 0.0014024300000000, -0.0004939700000000, -0.0004833200000000 ] - [ -0.0021372000000000, 0.0005830900000000, -0.0030963600000000 ] - [ -0.0025994600000000, -0.0006025100000000, -0.0026620300000000 ] - [ 0.0004838800000000, -0.0004782000000000, -0.0003329700000000 ] - [ -0.0000629000000000, 0.0021073700000000, 0.0045064200000000 ] - [ -0.0006251100000000, 0.0007357600000000, 0.0003195100000000 ] - [ -0.0008793600000000, 0.0076198000000000, -0.0037537000000000 ] - [ -0.0013182600000000, 0.0009317100000000, 0.0005824400000000 ] - [ 0.0003944000000000, 0.0005170000000000, -0.0000246700000000 ] - [ 0.0020748300000000, -0.0001102800000000, 0.0044482300000000 ] - [ 0.0005666300000000, 0.0021706300000000, -0.0002258300000000 ] - [ 0.0003436800000000, 0.0012148500000000, -0.0007828400000000 ] - [ 0.0038522500000000, 0.0009276500000000, 0.0005237400000000 ] - [ 0.0000808300000000, -0.0007192100000000, -0.0003852900000000 ] - [ -0.0038578800000000, 0.0004030700000000, -0.0010213200000000 ] - [ 0.0037228000000000, 0.0008429300000000, -0.0003037900000000 ] - [ 0.0003941700000000, 0.0001032500000000, -0.0004583700000000 ] - [ -0.0003206500000000, 0.0003232500000000, -0.0002599900000000 ] - [ -0.0033255700000000, -0.0337968900000000, 0.0105950600000000 ] - [ -0.0003954700000000, -0.0005004500000000, 0.0000187000000000 ] - [ 0.0002128700000000, 0.0002873400000000, 0.0007790900000000 ] - [ -0.0003069400000000, 0.0005452400000000, -0.0011426100000000 ] - [ -0.0001582400000000, 0.0030608000000000, -0.0001495600000000 ] - [ -0.0000178300000000, 0.0029053800000000, -0.0002838700000000 ] - [ 0.0013843500000000, -0.0127186900000000, 0.0000077100000000 ] - [ -0.0000634500000000, -0.0005026500000000, 0.0003438100000000 ] - [ 0.0009461100000000, -0.0049945500000000, 0.0016338700000000 ] - [ -0.0001830500000000, -0.0018138000000000, -0.0000056700000000 ] - [ -0.0009977700000000, 0.0027885300000000, -0.0022637000000000 ] - [ -0.0002026600000000, 0.0000029600000000, -0.0003763600000000 ] - [ 0.0014402900000000, 0.0017271000000000, 0.0005852200000000 ] - [ -0.0023798100000000, 0.0028041200000000, -0.0005966000000000 ] - [ -0.0000953800000000, -0.0012025000000000, 0.0004375900000000 ] - [ -0.0005554700000000, -0.0005138700000000, 0.0000160400000000 ] - [ 0.0006552400000000, -0.0283317700000000, -0.0000094500000000 ] - [ -0.0001820600000000, -0.0004663100000000, 0.0002343500000000 ] - [ 0.0001482800000000, 0.0005095200000000, -0.0010472400000000 ] - [ 0.0005503800000000, 0.0003841500000000, 0.0008323000000000 ]- atom: 81 displacement: [ -0.0050436217710434, 0.0000000000000000, 0.0086349220859633 ] forces: - [ 0.0007057500000000, 0.0001171100000000, -0.0005904100000000 ] - [ -0.0006488600000000, 0.0003315900000000, 0.0003699900000000 ] - [ -0.0011270900000000, -0.0004483600000000, 0.0016121900000000 ] - [ 0.0004220400000000, 0.0001285800000000, -0.0001452000000000 ] - [ -0.0005016300000000, -0.0141315200000000, -0.0003806000000000 ] - [ -0.0002061500000000, 0.0000324900000000, -0.0000938900000000 ] - [ -0.0010988200000000, 0.0005234900000000, 0.0007379600000000 ] - [ 0.0002463900000000, 0.0001215700000000, -0.0005205100000000 ] - [ -0.0007179900000000, -0.0015269800000000, 0.0008901100000000 ] - [ 0.0003362900000000, -0.0005629200000000, -0.0008217000000000 ] - [ 0.0000495800000000, -0.0004260500000000, 0.0007208700000000 ] - [ -0.0006798800000000, -0.0005926800000000, 0.0012757700000000 ] - [ -0.0014785800000000, 0.0009696400000000, -0.0000384200000000 ] - [ -0.0014717600000000, 0.0000622400000000, -0.0026438500000000 ] - [ 0.0009929100000000, -0.0001302700000000, 0.0006227000000000 ] - [ 0.0005414200000000, 0.0006282400000000, -0.0002011900000000 ] - [ -0.0001140500000000, -0.0012328200000000, -0.0001245100000000 ] - [ 0.0002810100000000, 0.0001360500000000, -0.0005691500000000 ] - [ -0.0036269600000000, 0.0031943500000000, 0.0025553300000000 ] - [ -0.0003810000000000, 0.0002448000000000, -0.0002500500000000 ] - [ 0.0015643500000000, 0.0016876300000000, 0.0019431800000000 ] - [ -0.0011981900000000, -0.0002415100000000, 0.0004246500000000 ] - [ 0.0007739900000000, -0.0007106000000000, 0.0005784700000000 ] - [ 0.0005906000000000, -0.0000837000000000, -0.0000942800000000 ] - [ -0.0006188900000000, -0.0003641500000000, 0.0003708200000000 ] - [ 0.0002608200000000, 0.0000092500000000, -0.0006203100000000 ] - [ 0.0008103800000000, -0.0005751300000000, -0.0005605600000000 ] - [ -0.0021368600000000, 0.0012955100000000, 0.0008093100000000 ] - [ -0.0009230100000000, -0.0001868100000000, 0.0011412800000000 ] - [ 0.0015521500000000, 0.0012639200000000, 0.0004179100000000 ] - [ 0.0017200700000000, -0.0011174300000000, -0.0019933700000000 ] - [ -0.0003296500000000, 0.0001183500000000, -0.0004204400000000 ] - [ -0.0018086600000000, 0.0016029500000000, 0.0007357600000000 ] - [ -0.0007378900000000, -0.0000597500000000, -0.0001406900000000 ] - [ 0.0000601900000000, -0.0004972300000000, -0.0000630400000000 ] - [ -0.0005103800000000, -0.0003570800000000, 0.0000945500000000 ] - [ 0.0012641700000000, 0.0004985800000000, 0.0052040100000000 ] - [ 0.0000140200000000, 0.0004222700000000, 0.0004560800000000 ] - [ -0.0007016000000000, 0.0004163000000000, -0.0004789900000000 ] - [ -0.0001438400000000, 0.0003714900000000, -0.0010150500000000 ] - [ -0.0001835100000000, 0.0002286200000000, 0.0002917800000000 ] - [ 0.0000008600000000, 0.0004136100000000, -0.0005136100000000 ] - [ -0.0028424300000000, 0.0012046800000000, -0.0039463100000000 ] - [ -0.0013250700000000, -0.0000194000000000, -0.0004244600000000 ] - [ 0.0004583300000000, -0.0002538900000000, 0.0020359200000000 ] - [ 0.0009286200000000, -0.0009985300000000, 0.0015788800000000 ] - [ 0.0006810100000000, -0.0045403900000000, -0.0019350700000000 ] - [ -0.0003987900000000, -0.0004961400000000, -0.0005880600000000 ] - [ -0.0006945500000000, 0.0001095400000000, 0.0008637800000000 ] - [ 0.0001007600000000, -0.0004697800000000, -0.0000763900000000 ] - [ 0.0017876300000000, 0.0002164300000000, -0.0012998000000000 ] - [ -0.0016527600000000, -0.0013829100000000, 0.0008892400000000 ] - [ -0.0009404600000000, 0.0005675100000000, 0.0003855600000000 ] - [ 0.0050484800000000, -0.0029275000000000, 0.0012304600000000 ] - [ 0.0011276500000000, 0.0015473200000000, -0.0005383300000000 ] - [ -0.0004572600000000, 0.0002299200000000, 0.0001784900000000 ] - [ -0.0009611400000000, -0.0005299200000000, 0.0010881300000000 ] - [ 0.0007722500000000, -0.0002562500000000, -0.0000164800000000 ] - [ -0.0032043800000000, 0.0138623600000000, 0.0000187500000000 ] - [ -0.0006086100000000, 0.0002519500000000, -0.0003498000000000 ] - [ -0.0007158400000000, 0.0001793400000000, 0.0010268100000000 ] - [ 0.0000087400000000, -0.0004513600000000, -0.0002682300000000 ] - [ 0.0023660500000000, -0.0011700200000000, -0.0007278700000000 ] - [ -0.0003862900000000, -0.0004754600000000, 0.0005612400000000 ] - [ -0.0014006900000000, 0.0015572400000000, 0.0020509000000000 ] - [ -0.0001844000000000, -0.0002911300000000, 0.0000300300000000 ] - [ 0.0013894200000000, -0.0009313100000000, 0.0011931200000000 ] - [ 0.0000314000000000, -0.0001916800000000, 0.0007794100000000 ] - [ -0.0007271500000000, -0.0001647200000000, -0.0008669600000000 ] - [ -0.0009981500000000, 0.0004219400000000, -0.0025643800000000 ] - [ 0.0003276100000000, 0.0008961700000000, 0.0013321600000000 ] - [ -0.0000400600000000, 0.0001865700000000, 0.0004391300000000 ] - [ -0.0003112200000000, 0.0000195400000000, 0.0006648600000000 ] - [ -0.0005952600000000, -0.0002150000000000, 0.0003348000000000 ] - [ 0.0043259500000000, -0.0038028900000000, 0.0100607500000000 ] - [ 0.0000689600000000, -0.0000749500000000, -0.0000380400000000 ] - [ -0.0027294000000000, -0.0045407200000000, 0.0027552200000000 ] - [ 0.0011149200000000, -0.0000073700000000, -0.0005844700000000 ] - [ -0.0081779200000000, 0.0017260300000000, 0.0071125200000000 ] - [ -0.0001963200000000, -0.0007372100000000, -0.0003187700000000 ] - [ 0.0396792300000000, 0.0093204900000000, -0.0485345900000000 ] - [ -0.0002253800000000, 0.0001570500000000, -0.0001584000000000 ] - [ -0.0004164500000000, 0.0001046500000000, 0.0005608800000000 ] - [ 0.0000974800000000, 0.0000613100000000, 0.0001579700000000 ] - [ -0.0007988200000000, -0.0001105500000000, 0.0011138700000000 ] - [ 0.0002891200000000, -0.0000806700000000, -0.0002326500000000 ] - [ 0.0003198100000000, -0.0000082100000000, -0.0003140700000000 ] - [ -0.0003603700000000, -0.0002071700000000, 0.0002521500000000 ] - [ 0.0000374500000000, 0.0001709100000000, -0.0016860000000000 ] - [ -0.0008858900000000, -0.0009423000000000, 0.0008485000000000 ] - [ -0.0007126600000000, 0.0016216300000000, 0.0044547300000000 ] - [ 0.0055684000000000, 0.0013221600000000, 0.0013092000000000 ] - [ -0.0000267100000000, 0.0000344200000000, -0.0007429500000000 ] - [ -0.0047138100000000, 0.0000863300000000, -0.0025950200000000 ] - [ 0.0002708300000000, 0.0001520700000000, 0.0021992000000000 ] - [ 0.0013883900000000, -0.0002767700000000, -0.0007001600000000 ] - [ -0.0015463000000000, -0.0035373000000000, -0.0023273900000000 ] - [ -0.0000579300000000, -0.0002005800000000, 0.0002979200000000 ] - [ 0.0037350400000000, 0.0008316900000000, 0.0002979700000000 ] - [ -0.0017742600000000, 0.0015420200000000, 0.0023357100000000 ] - [ -0.0055491300000000, 0.0020305500000000, -0.0008434300000000 ] - [ 0.0016794300000000, 0.0009212200000000, -0.0013244900000000 ] - [ -0.0003447200000000, -0.0004228300000000, -0.0012961200000000 ] - [ -0.0005720900000000, 0.0004621100000000, 0.0004627800000000 ] - [ -0.0024653400000000, 0.0048384600000000, -0.0007646500000000 ] - [ -0.0002538000000000, 0.0008495500000000, 0.0004342500000000 ] - [ 0.0035919800000000, -0.0002198300000000, -0.0006526200000000 ] - [ -0.0006494800000000, -0.0002005000000000, 0.0019766600000000 ] - [ 0.0012980400000000, 0.0004829900000000, -0.0018838300000000 ] - [ 0.0002749300000000, 0.0003870400000000, -0.0006032600000000 ] - [ -0.0022704600000000, -0.0017864700000000, 0.0000802000000000 ] - [ 0.0019742500000000, -0.0013647400000000, -0.0018068600000000 ] - [ 0.0008498400000000, -0.0013889100000000, 0.0024815200000000 ] - [ 0.0016174300000000, 0.0011204500000000, 0.0005035400000000 ] - [ 0.0004143400000000, 0.0012273200000000, -0.0027720500000000 ] - [ -0.0006287900000000, 0.0003257400000000, -0.0000326000000000 ] - [ -0.0077134400000000, -0.0123974600000000, 0.0140812200000000 ] - [ 0.0008358400000000, -0.0002311700000000, 0.0003190600000000 ] - [ 0.0004355900000000, -0.0005748300000000, -0.0014285900000000 ] - [ -0.0003136400000000, 0.0004246100000000, -0.0008168700000000 ] - [ 0.0005921200000000, 0.0008619400000000, -0.0011081800000000 ] - [ -0.0004349100000000, 0.0010923800000000, 0.0002306800000000 ] - [ -0.0097867400000000, 0.0021356200000000, 0.0085657700000000 ] - [ 0.0008660900000000, 0.0006887800000000, 0.0012005500000000 ] - [ 0.0008059600000000, -0.0025217900000000, -0.0055524100000000 ] - [ -0.0000347100000000, -0.0010614500000000, -0.0000405700000000 ] - [ -0.0013813700000000, -0.0003788600000000, -0.0006878400000000 ] - [ 0.0003695900000000, -0.0009895000000000, -0.0006888300000000 ] - [ 0.0003251900000000, 0.0006087800000000, 0.0011303800000000 ] - [ 0.0012836900000000, -0.0006270500000000, 0.0003582300000000 ] - [ 0.0011878200000000, -0.0008766100000000, -0.0036151600000000 ] - [ -0.0009637600000000, -0.0000704200000000, -0.0000169900000000 ] - [ -0.0078277200000000, 0.0075330300000000, 0.0084479700000000 ] - [ 0.0007848600000000, -0.0000761200000000, 0.0004184000000000 ] - [ 0.0007031300000000, 0.0002278900000000, -0.0015306600000000 ] - [ -0.0003985600000000, -0.0006927400000000, -0.0008017200000000 ]- atom: 81 displacement: [ 0.0050436217710434, 0.0000000000000000, -0.0086349220859633 ] forces: - [ -0.0010174900000000, -0.0000324600000000, 0.0007070900000000 ] - [ 0.0003308800000000, -0.0002515100000000, -0.0002483400000000 ] - [ 0.0014389800000000, 0.0005367700000000, -0.0017196000000000 ] - [ -0.0001030700000000, -0.0000448500000000, 0.0000252900000000 ] - [ 0.0008317500000000, 0.0139629300000000, 0.0002011400000000 ] - [ 0.0005194300000000, -0.0001163100000000, -0.0000230400000000 ] - [ 0.0007748500000000, -0.0005968600000000, -0.0006155100000000 ] - [ -0.0005604100000000, -0.0002074800000000, 0.0006305600000000 ] - [ 0.0019059900000000, 0.0002374900000000, -0.0014629300000000 ] - [ 0.0008729000000000, -0.0007265600000000, 0.0002232300000000 ] - [ -0.0012563900000000, -0.0008628400000000, -0.0001206800000000 ] - [ -0.0005237500000000, -0.0006999000000000, -0.0006752300000000 ] - [ 0.0002640100000000, 0.0003248700000000, 0.0006262200000000 ] - [ 0.0002268900000000, 0.0011998200000000, 0.0032215800000000 ] - [ 0.0002228000000000, 0.0014172700000000, -0.0012239600000000 ] - [ 0.0006646900000000, 0.0006614200000000, -0.0003950000000000 ] - [ 0.0012976600000000, 0.0015126700000000, -0.0003264000000000 ] - [ 0.0008951100000000, 0.0001460100000000, 0.0001189200000000 ] - [ 0.0024115300000000, -0.0028608500000000, -0.0020771000000000 ] - [ -0.0008045800000000, 0.0000400200000000, 0.0006916700000000 ] - [ -0.0027416100000000, -0.0019691000000000, -0.0014783100000000 ] - [ 0.0000193300000000, -0.0000418200000000, 0.0000240300000000 ] - [ 0.0004074200000000, 0.0004276200000000, -0.0010194900000000 ] - [ 0.0005903600000000, -0.0001985300000000, -0.0003544300000000 ] - [ 0.0006212600000000, 0.0002737600000000, -0.0013382200000000 ] - [ -0.0002553600000000, -0.0001000100000000, -0.0003548300000000 ] - [ -0.0008067700000000, 0.0004823700000000, 0.0015325300000000 ] - [ 0.0021419000000000, -0.0013951400000000, 0.0001703000000000 ] - [ 0.0009103600000000, 0.0002778600000000, -0.0001633000000000 ] - [ -0.0015398100000000, -0.0011656200000000, 0.0005467500000000 ] - [ -0.0017086600000000, 0.0012022700000000, 0.0010164100000000 ] - [ 0.0003318300000000, -0.0000267700000000, -0.0005533000000000 ] - [ 0.0007341700000000, -0.0014169600000000, -0.0004167500000000 ] - [ -0.0003444400000000, 0.0002428300000000, 0.0004580300000000 ] - [ -0.0005860700000000, -0.0003507800000000, -0.0005548400000000 ] - [ -0.0000159200000000, -0.0004911600000000, -0.0007124600000000 ] - [ -0.0007123100000000, 0.0003455700000000, -0.0045166000000000 ] - [ 0.0005074300000000, 0.0004267000000000, 0.0001639100000000 ] - [ 0.0001735200000000, 0.0004317900000000, -0.0001420800000000 ] - [ -0.0003815900000000, 0.0004752900000000, 0.0003931500000000 ] - [ -0.0000741900000000, 0.0007537900000000, -0.0012575700000000 ] - [ -0.0002600100000000, 0.0005726800000000, -0.0004584800000000 ] - [ 0.0030973900000000, -0.0002084300000000, 0.0048586100000000 ] - [ 0.0015818200000000, 0.0010112900000000, 0.0014018000000000 ] - [ -0.0002017900000000, -0.0007346200000000, -0.0010611100000000 ] - [ -0.0006573400000000, 0.0000071100000000, -0.0006136300000000 ] - [ -0.0009333900000000, 0.0035546700000000, 0.0009577000000000 ] - [ 0.0001387000000000, -0.0004903600000000, -0.0003828200000000 ] - [ 0.0004894500000000, -0.0008143500000000, -0.0007005400000000 ] - [ -0.0002988500000000, -0.0002402000000000, 0.0002290900000000 ] - [ -0.0015805900000000, -0.0009252300000000, 0.0011407000000000 ] - [ 0.0018584100000000, 0.0006788600000000, -0.0010388400000000 ] - [ 0.0011307200000000, 0.0001427300000000, -0.0005376600000000 ] - [ -0.0048214100000000, 0.0036294500000000, -0.0014227900000000 ] - [ -0.0013200900000000, -0.0008361200000000, 0.0006888100000000 ] - [ 0.0002542200000000, 0.0004786600000000, -0.0000249900000000 ] - [ 0.0013188700000000, 0.0011764700000000, -0.0005141800000000 ] - [ -0.0004030100000000, 0.0009198300000000, 0.0005792400000000 ] - [ 0.0028297400000000, -0.0130915600000000, -0.0006353000000000 ] - [ 0.0002366000000000, 0.0004088200000000, -0.0002177800000000 ] - [ 0.0003426500000000, -0.0008441800000000, -0.0015855900000000 ] - [ -0.0003756100000000, -0.0002096400000000, -0.0003007000000000 ] - [ -0.0019857000000000, 0.0005068400000000, 0.0013006900000000 ] - [ 0.0007508600000000, -0.0001822000000000, 0.0000121200000000 ] - [ 0.0013192900000000, -0.0019940200000000, -0.0015020100000000 ] - [ 0.0001235700000000, -0.0001766800000000, 0.0004844600000000 ] - [ -0.0013318400000000, 0.0004669300000000, -0.0017104700000000 ] - [ 0.0000363500000000, -0.0002702400000000, -0.0012905100000000 ] - [ 0.0007839700000000, 0.0006255600000000, 0.0003407200000000 ] - [ 0.0010481500000000, 0.0000518700000000, 0.0020423300000000 ] - [ -0.0003819400000000, -0.0004224200000000, -0.0008185100000000 ] - [ -0.0000237400000000, 0.0002805600000000, 0.0000761900000000 ] - [ -0.0007638200000000, -0.0002049000000000, -0.0003388000000000 ] - [ -0.0004809400000000, 0.0000297000000000, -0.0000149200000000 ] - [ -0.0032954100000000, 0.0036764500000000, -0.0104827300000000 ] - [ 0.0010096900000000, -0.0001088100000000, -0.0002805100000000 ] - [ 0.0037687400000000, 0.0046487200000000, -0.0030315200000000 ] - [ -0.0000425900000000, 0.0001921700000000, 0.0002617000000000 ] - [ 0.0088318800000000, -0.0026243200000000, -0.0065867400000000 ] - [ 0.0007232900000000, -0.0001130200000000, 0.0009348900000000 ] - [ -0.0384434800000000, -0.0091493300000000, 0.0477056900000000 ] - [ 0.0004046500000000, 0.0001096700000000, -0.0002100300000000 ] - [ 0.0002343300000000, 0.0001609200000000, -0.0001899100000000 ] - [ -0.0002757400000000, 0.0002043600000000, 0.0002095400000000 ] - [ 0.0009757000000000, -0.0001562600000000, -0.0014755700000000 ] - [ -0.0001071200000000, -0.0001858100000000, -0.0001366100000000 ] - [ -0.0004975600000000, -0.0002584100000000, 0.0006808100000000 ] - [ 0.0001777000000000, -0.0000601100000000, 0.0001183100000000 ] - [ -0.0014580400000000, -0.0018229700000000, 0.0025655100000000 ] - [ -0.0005359200000000, -0.0007065300000000, 0.0000568300000000 ] - [ -0.0007690200000000, -0.0009928600000000, -0.0030312700000000 ] - [ -0.0070548500000000, -0.0007174500000000, 0.0000741700000000 ] - [ -0.0014333000000000, -0.0006512500000000, 0.0021440800000000 ] - [ 0.0031697000000000, -0.0006852400000000, 0.0040115800000000 ] - [ 0.0011964700000000, -0.0007653500000000, -0.0035990100000000 ] - [ 0.0000881300000000, -0.0003405000000000, -0.0007064400000000 ] - [ 0.0005453700000000, 0.0029411600000000, 0.0029559600000000 ] - [ -0.0009246000000000, -0.0003973600000000, 0.0003254300000000 ] - [ -0.0027072400000000, -0.0014107200000000, -0.0009062000000000 ] - [ 0.0027821700000000, -0.0021507100000000, -0.0029454500000000 ] - [ 0.0065329500000000, -0.0014293300000000, 0.0001965500000000 ] - [ -0.0006888100000000, -0.0003281600000000, 0.0006953500000000 ] - [ -0.0006458900000000, 0.0010220900000000, 0.0018935300000000 ] - [ -0.0004194300000000, 0.0001356300000000, 0.0001615600000000 ] - [ 0.0010352400000000, -0.0031901000000000, 0.0016715300000000 ] - [ -0.0011598400000000, 0.0008004300000000, 0.0004681500000000 ] - [ -0.0021390300000000, 0.0018510900000000, -0.0002437900000000 ] - [ 0.0020772000000000, 0.0018483100000000, -0.0028392000000000 ] - [ 0.0001760700000000, 0.0001344100000000, 0.0004684600000000 ] - [ 0.0011967100000000, 0.0002299800000000, -0.0008020300000000 ] - [ 0.0036795900000000, 0.0001286100000000, -0.0009858600000000 ] - [ -0.0005534800000000, -0.0002795400000000, 0.0009012900000000 ] - [ -0.0005831200000000, 0.0018449700000000, -0.0026151800000000 ] - [ -0.0013201100000000, -0.0006545500000000, -0.0006575000000000 ] - [ -0.0006944900000000, -0.0007440100000000, 0.0028992800000000 ] - [ 0.0003561600000000, 0.0001376000000000, 0.0001819200000000 ] - [ 0.0074315100000000, 0.0124068000000000, -0.0139722800000000 ] - [ -0.0011044100000000, -0.0002332000000000, -0.0001697800000000 ] - [ -0.0001522600000000, 0.0001135700000000, 0.0012716600000000 ] - [ 0.0005826400000000, -0.0008856000000000, 0.0006737800000000 ] - [ -0.0009113000000000, 0.0010346600000000, 0.0003937700000000 ] - [ 0.0001178600000000, 0.0008052900000000, -0.0009420300000000 ] - [ 0.0089153800000000, -0.0003042900000000, -0.0071149000000000 ] - [ -0.0005365600000000, 0.0012055700000000, -0.0004847900000000 ] - [ -0.0004648100000000, 0.0006254100000000, 0.0062593900000000 ] - [ 0.0003516600000000, -0.0008348200000000, 0.0007585700000000 ] - [ 0.0010590500000000, -0.0015135900000000, -0.0000306800000000 ] - [ -0.0006848200000000, -0.0009063500000000, -0.0000285300000000 ] - [ 0.0000954300000000, -0.0003398500000000, -0.0014755700000000 ] - [ -0.0008452700000000, 0.0008912400000000, -0.0007123900000000 ] - [ -0.0016094700000000, 0.0011212900000000, 0.0039389900000000 ] - [ 0.0005441900000000, 0.0003361700000000, 0.0003735100000000 ] - [ 0.0074757100000000, -0.0081240400000000, -0.0080995400000000 ] - [ -0.0012025400000000, -0.0001892200000000, -0.0000614200000000 ] - [ -0.0002730700000000, -0.0004963300000000, 0.0011705000000000 ] - [ 0.0008150800000000, 0.0004229200000000, 0.0004514700000000 ]- atom: 89 displacement: [ 0.0099999999206514, 0.0000000000000000, 0.0000012597509720 ] forces: - [ -0.0017468300000000, 0.0041989900000000, 0.0013890100000000 ] - [ -0.0006839100000000, -0.0009893000000000, -0.0006613800000000 ] - [ 0.0385882100000000, -0.0002755100000000, -0.0018715700000000 ] - [ -0.0021485800000000, -0.0000916900000000, 0.0004838700000000 ] - [ 0.0003616000000000, -0.0000910600000000, 0.0007678700000000 ] - [ -0.0002159500000000, 0.0001292500000000, -0.0006556900000000 ] - [ 0.0059840400000000, 0.0001471900000000, -0.0027789500000000 ] - [ -0.0017639900000000, -0.0002079700000000, 0.0005000300000000 ] - [ 0.0552787800000000, -0.0037691300000000, 0.0445220400000000 ] - [ -0.0015935800000000, -0.0007070100000000, -0.0004511300000000 ] - [ -0.0012787600000000, -0.0000822400000000, -0.0004569500000000 ] - [ -0.0012072100000000, -0.0012975300000000, 0.0003849100000000 ] - [ -0.0012916300000000, 0.0002105200000000, -0.0000725100000000 ] - [ 0.0003929300000000, 0.0011340100000000, -0.0015635800000000 ] - [ 0.0004072300000000, 0.0002979300000000, 0.0011642900000000 ] - [ -0.0001566800000000, 0.0008452600000000, -0.0015381700000000 ] - [ 0.0010402700000000, 0.0001195700000000, 0.0012094000000000 ] - [ -0.0000953600000000, -0.0000307500000000, -0.0011415000000000 ] - [ 0.0018677800000000, -0.0002049400000000, 0.0022635300000000 ] - [ -0.0024630200000000, 0.0002458500000000, -0.0014992200000000 ] - [ 0.0009199500000000, -0.0004357700000000, 0.0007077700000000 ] - [ -0.0019424800000000, -0.0003590100000000, -0.0001868600000000 ] - [ 0.1880538000000000, -0.0847782300000000, 0.0164827100000000 ] - [ -0.0028454500000000, 0.0005254600000000, -0.0006631400000000 ] - [ 0.1036864500000000, 0.0511897300000000, -0.0577954100000000 ] - [ -0.0030052000000000, -0.0007437600000000, -0.0000134800000000 ] - [ -0.0008628700000000, 0.0001845300000000, 0.0010723100000000 ] - [ 0.0002588500000000, 0.0007887500000000, -0.0001487800000000 ] - [ 0.0014739500000000, -0.0014421200000000, -0.0008607100000000 ] - [ -0.0009622000000000, 0.0004779700000000, 0.0009053700000000 ] - [ 0.0001348600000000, 0.0006605800000000, 0.0006345700000000 ] - [ -0.0002533700000000, 0.0001782100000000, -0.0011165300000000 ] - [ 0.0006792000000000, 0.0002172800000000, 0.0022510600000000 ] - [ -0.0020900600000000, 0.0000050300000000, -0.0020903700000000 ] - [ -0.0068242800000000, 0.0025126000000000, -0.0016746500000000 ] - [ -0.0103735000000000, -0.0045663600000000, 0.0001427100000000 ] - [ -0.0004828400000000, 0.0013697700000000, 0.0020942900000000 ] - [ -0.0001639200000000, -0.0003923900000000, -0.0012868400000000 ] - [ -0.0004340700000000, 0.0003215900000000, 0.0001242600000000 ] - [ 0.0011016500000000, 0.0006365100000000, -0.0003508600000000 ] - [ 0.0011157700000000, -0.0107993200000000, 0.0069958800000000 ] - [ -0.0022102200000000, 0.0014349400000000, -0.0020997800000000 ] - [ -0.0001352700000000, -0.0000657000000000, 0.0023852500000000 ] - [ -0.0004693400000000, 0.0016182700000000, -0.0018657600000000 ] - [ 0.0011231100000000, -0.0007008700000000, 0.0002818900000000 ] - [ -0.0006647500000000, -0.0002619000000000, 0.0003876600000000 ] - [ 0.0033291700000000, -0.0002533800000000, 0.0067272000000000 ] - [ -0.0016316600000000, -0.0006326000000000, -0.0027627700000000 ] - [ 0.0062946000000000, -0.0127342000000000, -0.0050510000000000 ] - [ -0.0026398200000000, 0.0008565100000000, 0.0005149200000000 ] - [ -0.0037784000000000, -0.0028499600000000, 0.0014005800000000 ] - [ -0.0006354600000000, 0.0029875700000000, -0.0020595800000000 ] - [ 0.0006074600000000, -0.0003387400000000, -0.0006173900000000 ] - [ -0.0003289500000000, 0.0007553400000000, 0.0003040300000000 ] - [ -0.0006789100000000, -0.0005961300000000, 0.0029856700000000 ] - [ -0.0002170700000000, 0.0009441000000000, -0.0022873900000000 ] - [ 0.0019054400000000, 0.0002261400000000, 0.0002953400000000 ] - [ -0.0006316500000000, 0.0003234500000000, 0.0002841200000000 ] - [ 0.0008129900000000, 0.0001111600000000, 0.0014793500000000 ] - [ -0.0009444200000000, -0.0000000900000000, -0.0025386600000000 ] - [ 0.0035422000000000, -0.0008264100000000, -0.0004759500000000 ] - [ -0.0015295600000000, -0.0003095800000000, -0.0002890300000000 ] - [ -0.0060751500000000, -0.0023064600000000, 0.0065687600000000 ] - [ -0.0036657000000000, 0.0003676600000000, -0.0025601000000000 ] - [ 0.0031808600000000, -0.0009098600000000, -0.0001115000000000 ] - [ -0.0012121400000000, -0.0000522100000000, -0.0000034100000000 ] - [ -0.0082096700000000, -0.0052206900000000, -0.0032857400000000 ] - [ -0.0043405900000000, 0.0015611900000000, 0.0006669400000000 ] - [ -0.0001802400000000, 0.0004264200000000, 0.0001153400000000 ] - [ 0.0004591400000000, 0.0000606200000000, -0.0005716700000000 ] - [ -0.0021106500000000, 0.0006253000000000, 0.0054839700000000 ] - [ -0.0052164900000000, -0.0009239700000000, -0.0045071600000000 ] - [ 0.0037425400000000, 0.0086645100000000, -0.0005916200000000 ] - [ -0.0029832600000000, -0.0010934000000000, -0.0000155100000000 ] - [ -0.0012764100000000, -0.0085562200000000, 0.0034623100000000 ] - [ -0.0024853500000000, 0.0008959500000000, -0.0009366100000000 ] - [ 0.0013265400000000, 0.0000185300000000, 0.0007091500000000 ] - [ -0.0000807200000000, 0.0001294600000000, -0.0007713300000000 ] - [ 0.0031886400000000, 0.0010420000000000, 0.0003773100000000 ] - [ -0.0016046400000000, -0.0007623700000000, 0.0002952300000000 ] - [ 0.0004734600000000, 0.0000257600000000, 0.0009015800000000 ] - [ -0.0002166500000000, 0.0003698200000000, -0.0005680400000000 ] - [ 0.0015358900000000, 0.0032622100000000, -0.0023122300000000 ] - [ -0.0012730600000000, -0.0004944900000000, 0.0009582600000000 ] - [ 0.0019597800000000, -0.0003091000000000, -0.0011218100000000 ] - [ -0.0008152400000000, -0.0007352900000000, -0.0001876800000000 ] - [ -0.0023946700000000, 0.0001666100000000, 0.0021610000000000 ] - [ -0.0008222400000000, -0.0014881300000000, -0.0018283500000000 ] - [ -0.4203511000000000, 0.0446766200000000, 0.0065337200000000 ] - [ 0.0040190500000000, -0.0010828300000000, 0.0001115000000000 ] - [ 0.0021877900000000, 0.0017431500000000, -0.0016886700000000 ] - [ -0.0030084300000000, -0.0038892400000000, 0.0043176100000000 ] - [ -0.0011732000000000, 0.0015574300000000, 0.0019675400000000 ] - [ 0.0003364900000000, -0.0012946800000000, -0.0000289400000000 ] - [ -0.0015080300000000, -0.0018304800000000, -0.0050525600000000 ] - [ 0.0011050600000000, -0.0003419900000000, 0.0018443300000000 ] - [ -0.0009577500000000, 0.0008651500000000, -0.0056223300000000 ] - [ 0.0012216800000000, -0.0007394900000000, 0.0057680300000000 ] - [ -0.0006468300000000, -0.0002203700000000, -0.0007290800000000 ] - [ 0.0012882700000000, -0.0003679300000000, 0.0000349900000000 ] - [ 0.0144193000000000, 0.0081491600000000, -0.0034753700000000 ] - [ 0.0079737700000000, -0.0031430400000000, 0.0022675200000000 ] - [ -0.0144907600000000, 0.0012066500000000, -0.0004906500000000 ] - [ 0.0027863600000000, -0.0000777500000000, 0.0007914200000000 ] - [ -0.0008157300000000, 0.0007775500000000, -0.0018114600000000 ] - [ 0.0001549400000000, 0.0007951100000000, 0.0020172700000000 ] - [ -0.0027360100000000, 0.0022841500000000, 0.0007916900000000 ] - [ 0.0029881800000000, 0.0003953900000000, 0.0001118700000000 ] - [ 0.0178077500000000, 0.0403940600000000, -0.0066166700000000 ] - [ 0.0074896400000000, -0.0010184600000000, 0.0000219200000000 ] - [ 0.0011247900000000, -0.0025702800000000, -0.0000079700000000 ] - [ 0.0021751400000000, -0.0001878800000000, -0.0000620100000000 ] - [ 0.0030570700000000, 0.0007586100000000, -0.0044363900000000 ] - [ 0.0055908100000000, -0.0002851900000000, 0.0119628200000000 ] - [ -0.0017539900000000, 0.0034948000000000, -0.0011186000000000 ] - [ 0.0016493200000000, -0.0001720700000000, 0.0011895400000000 ] - [ -0.0098350200000000, 0.0034126700000000, -0.0173775700000000 ] - [ 0.0030821400000000, -0.0003818000000000, 0.0023181800000000 ] - [ -0.0009756700000000, -0.0035792300000000, 0.0022673400000000 ] - [ 0.0022480900000000, 0.0010131200000000, -0.0008291900000000 ] - [ -0.0059934200000000, 0.0001403600000000, -0.0044349400000000 ] - [ 0.0015557500000000, 0.0013219800000000, 0.0005345800000000 ] - [ -0.0006045800000000, 0.0009033700000000, -0.0025064400000000 ] - [ 0.0014820000000000, 0.0007745100000000, 0.0030513800000000 ] - [ -0.0078122800000000, 0.0037660200000000, 0.0028828700000000 ] - [ 0.0033091600000000, -0.0012250900000000, 0.0003888000000000 ] - [ 0.0157054200000000, -0.0195127300000000, -0.0145894900000000 ] - [ 0.0060836000000000, 0.0012704900000000, 0.0035427300000000 ] - [ 0.0023195400000000, -0.0007296600000000, -0.0024036100000000 ] - [ -0.0010284200000000, 0.0019841400000000, 0.0029914400000000 ] - [ 0.0044117300000000, -0.0193133800000000, -0.0178740400000000 ] - [ 0.0055038200000000, 0.0022713900000000, 0.0029567100000000 ] - [ -0.0027189800000000, 0.0001626300000000, -0.0010467100000000 ] - [ 0.0012738700000000, -0.0002344700000000, 0.0008928800000000 ] - [ 0.0167745500000000, -0.0014364700000000, 0.0296811800000000 ] - [ 0.0068021000000000, -0.0000682600000000, -0.0035805500000000 ]- atom: 89 displacement: [ -0.0099999999206514, 0.0000000000000000, -0.0000012597509720 ] forces: - [ 0.0014268100000000, -0.0041000500000000, -0.0012704300000000 ] - [ 0.0003695400000000, 0.0010719800000000, 0.0007787100000000 ] - [ -0.0383695100000000, 0.0016434400000000, 0.0024019300000000 ] - [ 0.0024653900000000, 0.0001735300000000, -0.0006005800000000 ] - [ -0.0000449100000000, 0.0000099300000000, -0.0008875900000000 ] - [ 0.0005324300000000, -0.0002112500000000, 0.0005356400000000 ] - [ -0.0063080700000000, -0.0002267600000000, 0.0028830900000000 ] - [ 0.0014457100000000, 0.0001250800000000, -0.0003751100000000 ] - [ -0.0545828100000000, 0.0025292300000000, -0.0450927300000000 ] - [ 0.0028014900000000, -0.0005858100000000, -0.0001466000000000 ] - [ 0.0000675200000000, -0.0012030000000000, 0.0010549800000000 ] - [ 0.0000026500000000, 0.0000082300000000, 0.0002151300000000 ] - [ 0.0000810600000000, 0.0010787300000000, 0.0006551000000000 ] - [ -0.0015989400000000, 0.0001505800000000, 0.0021869900000000 ] - [ 0.0008048000000000, 0.0009929200000000, -0.0017592800000000 ] - [ 0.0013620400000000, 0.0004466700000000, 0.0009401600000000 ] - [ 0.0001402600000000, 0.0001647100000000, -0.0016607300000000 ] - [ 0.0012751000000000, 0.0003137600000000, 0.0006918000000000 ] - [ -0.0030419200000000, 0.0004838800000000, -0.0018254700000000 ] - [ 0.0012898200000000, 0.0000343200000000, 0.0019555000000000 ] - [ -0.0021052800000000, 0.0001712700000000, -0.0002524100000000 ] - [ 0.0007631400000000, 0.0000801900000000, 0.0006351500000000 ] - [ -0.1980332500000000, 0.0915096000000000, -0.0185368900000000 ] - [ 0.0040192700000000, -0.0008112500000000, 0.0002164000000000 ] - [ -0.0999723500000000, -0.0479188700000000, 0.0531764300000000 ] - [ 0.0030046200000000, 0.0006411300000000, -0.0009594900000000 ] - [ 0.0008556800000000, -0.0002659700000000, -0.0000978100000000 ] - [ -0.0002599300000000, -0.0008714900000000, 0.0011198900000000 ] - [ -0.0014901600000000, 0.0015292600000000, 0.0018327200000000 ] - [ 0.0009555700000000, -0.0003864700000000, 0.0000779800000000 ] - [ -0.0001301900000000, -0.0005655300000000, -0.0016092000000000 ] - [ 0.0002577000000000, -0.0000847900000000, 0.0001387600000000 ] - [ -0.0017558500000000, -0.0000357200000000, -0.0019367300000000 ] - [ 0.0010141500000000, 0.0001794100000000, 0.0024114900000000 ] - [ 0.0062625100000000, -0.0033551400000000, 0.0010471900000000 ] - [ 0.0098733200000000, 0.0037094000000000, -0.0007327000000000 ] - [ 0.0010177900000000, -0.0005252600000000, -0.0014765300000000 ] - [ 0.0006868600000000, 0.0012435300000000, 0.0019103100000000 ] - [ -0.0000977200000000, 0.0005266900000000, -0.0007489200000000 ] - [ -0.0016274000000000, 0.0002165200000000, -0.0002646900000000 ] - [ -0.0013748400000000, 0.0118242800000000, -0.0079783500000000 ] - [ 0.0019458500000000, -0.0004466800000000, 0.0011266000000000 ] - [ 0.0003955200000000, 0.0010532000000000, -0.0014262800000000 ] - [ 0.0007376100000000, -0.0006370300000000, 0.0028268100000000 ] - [ -0.0008725600000000, -0.0002838400000000, 0.0006883100000000 ] - [ 0.0009247600000000, -0.0007218900000000, 0.0005871600000000 ] - [ -0.0036002200000000, -0.0007371200000000, -0.0076992700000000 ] - [ 0.0013694300000000, -0.0003588500000000, 0.0017857400000000 ] - [ -0.0064696000000000, 0.0120002900000000, 0.0052001900000000 ] - [ 0.0024336400000000, -0.0015639300000000, -0.0003580200000000 ] - [ 0.0040067800000000, 0.0021523200000000, -0.0015618500000000 ] - [ 0.0008381500000000, -0.0036636900000000, 0.0018832400000000 ] - [ -0.0004099400000000, 0.0010480400000000, 0.0004608700000000 ] - [ 0.0005292100000000, -0.0000458900000000, -0.0004577700000000 ] - [ 0.0004787700000000, 0.0013046800000000, -0.0028276800000000 ] - [ 0.0000144900000000, -0.0002353600000000, 0.0024375900000000 ] - [ -0.0015373200000000, 0.0004367600000000, 0.0002708000000000 ] - [ 0.0010005100000000, 0.0003368600000000, 0.0002857200000000 ] - [ -0.0011872000000000, 0.0005467000000000, -0.0020487500000000 ] - [ 0.0005808500000000, 0.0006569200000000, 0.0019658900000000 ] - [ -0.0039084900000000, 0.0001687300000000, -0.0000924300000000 ] - [ 0.0011588500000000, -0.0003470600000000, -0.0002787600000000 ] - [ 0.0064732300000000, 0.0016229300000000, -0.0060261000000000 ] - [ 0.0040113000000000, -0.0010262100000000, 0.0031011900000000 ] - [ -0.0032400700000000, 0.0004463500000000, 0.0006309200000000 ] - [ 0.0011482200000000, -0.0004126900000000, 0.0005185100000000 ] - [ 0.0083129000000000, 0.0047478100000000, 0.0028048700000000 ] - [ 0.0043794100000000, -0.0020175100000000, -0.0011575600000000 ] - [ 0.0002402700000000, 0.0000419600000000, -0.0006352200000000 ] - [ -0.0003966200000000, 0.0004069500000000, 0.0000559600000000 ] - [ 0.0020587200000000, -0.0001592700000000, -0.0049616300000000 ] - [ 0.0051502800000000, 0.0013857200000000, 0.0050312300000000 ] - [ -0.0048161800000000, -0.0088467800000000, 0.0009129400000000 ] - [ 0.0019028100000000, 0.0009064400000000, 0.0003365000000000 ] - [ 0.0024120300000000, 0.0084855800000000, -0.0038305600000000 ] - [ 0.0035500200000000, -0.0010754800000000, 0.0006139800000000 ] - [ -0.0002486100000000, 0.0001667100000000, -0.0010322600000000 ] - [ 0.0011588100000000, 0.0000563200000000, 0.0004520500000000 ] - [ -0.0026564800000000, -0.0019004000000000, 0.0002457600000000 ] - [ 0.0021356800000000, -0.0000818000000000, 0.0003207300000000 ] - [ -0.0002962600000000, 0.0002365700000000, -0.0012792500000000 ] - [ 0.0003976900000000, -0.0001018500000000, 0.0001965700000000 ] - [ -0.0017190100000000, -0.0029926500000000, 0.0026768800000000 ] - [ 0.0010906900000000, 0.0007583200000000, -0.0005876100000000 ] - [ -0.0017687600000000, 0.0000312500000000, 0.0007551500000000 ] - [ 0.0009963400000000, 0.0004732900000000, -0.0001785700000000 ] - [ 0.0022060300000000, -0.0004411600000000, -0.0017888700000000 ] - [ 0.0006493800000000, 0.0012210000000000, 0.0021882800000000 ] - [ 0.4269253500000000, -0.0583451800000000, -0.0007207600000000 ] - [ -0.0054350300000000, -0.0005605200000000, 0.0007887700000000 ] - [ -0.0036710100000000, -0.0011415200000000, 0.0031142800000000 ] - [ 0.0014953100000000, 0.0044930600000000, -0.0028748600000000 ] - [ -0.0002864700000000, -0.0021734200000000, -0.0005602700000000 ] - [ -0.0018124900000000, 0.0006758100000000, 0.0014299100000000 ] - [ 0.0029853600000000, 0.0012086000000000, 0.0036381600000000 ] - [ 0.0003719200000000, -0.0002739900000000, -0.0032434700000000 ] - [ -0.0000359800000000, -0.0014597500000000, 0.0062448300000000 ] - [ -0.0022106200000000, 0.0001475200000000, -0.0051464700000000 ] - [ 0.0016401900000000, -0.0003787200000000, 0.0001127400000000 ] - [ -0.0002977100000000, -0.0002304400000000, -0.0006587300000000 ] - [ -0.0135870700000000, -0.0075498600000000, 0.0028512100000000 ] - [ -0.0069257000000000, 0.0037185600000000, -0.0028806000000000 ] - [ 0.0134875900000000, -0.0006209600000000, 0.0011095100000000 ] - [ -0.0037727900000000, 0.0006727900000000, -0.0001679700000000 ] - [ -0.0006069700000000, 0.0008678200000000, 0.0027140900000000 ] - [ -0.0015757500000000, 0.0008517800000000, -0.0011108300000000 ] - [ 0.0041642300000000, -0.0006293900000000, -0.0016682100000000 ] - [ -0.0015725100000000, 0.0012564000000000, -0.0010298000000000 ] - [ -0.0162864200000000, -0.0396341900000000, 0.0050492900000000 ] - [ -0.0059980800000000, 0.0016437200000000, -0.0014306800000000 ] - [ 0.0002948600000000, 0.0009049100000000, -0.0008972800000000 ] - [ -0.0007541700000000, -0.0014668400000000, -0.0008451600000000 ] - [ -0.0027913900000000, -0.0002859600000000, 0.0043102800000000 ] - [ -0.0053849700000000, 0.0007479200000000, -0.0120749900000000 ] - [ 0.0014735100000000, -0.0030335800000000, 0.0012651000000000 ] - [ -0.0019197500000000, 0.0006292900000000, -0.0010438600000000 ] - [ 0.0096746000000000, -0.0038524600000000, 0.0176209800000000 ] - [ -0.0033442700000000, -0.0000805700000000, -0.0021534500000000 ] - [ 0.0012554200000000, 0.0031041400000000, -0.0024141800000000 ] - [ -0.0019759300000000, -0.0014764800000000, 0.0006773700000000 ] - [ 0.0056747200000000, 0.0017479100000000, 0.0037411200000000 ] - [ -0.0018748900000000, 0.0005742300000000, -0.0012526600000000 ] - [ 0.0009212900000000, 0.0009937400000000, 0.0032338700000000 ] - [ -0.0011644400000000, 0.0011209400000000, -0.0023352200000000 ] - [ 0.0082102200000000, -0.0056577000000000, -0.0022066300000000 ] - [ -0.0029884600000000, -0.0006807000000000, 0.0003211700000000 ] - [ -0.0160456300000000, 0.0176650000000000, 0.0138384700000000 ] - [ -0.0063898800000000, -0.0031444000000000, -0.0042551000000000 ] - [ -0.0018912100000000, 0.0009909600000000, 0.0020522100000000 ] - [ 0.0014424900000000, -0.0017214000000000, -0.0033425000000000 ] - [ -0.0048782600000000, 0.0194804000000000, 0.0180697000000000 ] - [ -0.0059430400000000, -0.0020064800000000, -0.0026243200000000 ] - [ 0.0023022000000000, -0.0004364200000000, 0.0014027000000000 ] - [ -0.0016962000000000, -0.0000359500000000, -0.0005340600000000 ] - [ -0.0163747600000000, 0.0012601600000000, -0.0301045300000000 ] - [ -0.0063703900000000, -0.0001842500000000, 0.0032057700000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006243000000000, -0.0034299800000000, -0.0004899700000000 ] - [ -0.0006941100000000, -0.0016190800000000, -0.0003571900000000 ] - [ 0.0001903900000000, 0.1773516400000000, 0.0825520800000000 ] - [ 0.0002944800000000, 0.0006744300000000, -0.0001784200000000 ] - [ -0.0000201000000000, -0.0013848000000000, 0.0002780400000000 ] - [ 0.0002185300000000, -0.0007926800000000, 0.0000273800000000 ] - [ -0.0006375500000000, 0.0052279600000000, 0.0026463300000000 ] - [ -0.0003100500000000, 0.0006632700000000, 0.0005148600000000 ] - [ -0.0044200500000000, 0.0375061500000000, -0.0184196300000000 ] - [ 0.0007527000000000, -0.0001434100000000, -0.0005616300000000 ] - [ -0.0007432000000000, -0.0019937800000000, 0.0000991600000000 ] - [ -0.0006539400000000, -0.0024847100000000, 0.0001832000000000 ] - [ -0.0007706600000000, 0.0019935700000000, -0.0003002400000000 ] - [ -0.0002008500000000, 0.0008420700000000, 0.0013603300000000 ] - [ 0.0005577200000000, -0.0003894600000000, -0.0000351000000000 ] - [ 0.0008101800000000, -0.0000285300000000, -0.0001129400000000 ] - [ 0.0002691000000000, -0.0007189800000000, 0.0002398000000000 ] - [ 0.0003872800000000, -0.0002272900000000, -0.0004691500000000 ] - [ -0.0013093600000000, 0.0016474700000000, -0.0039992000000000 ] - [ -0.0003069500000000, 0.0005603100000000, 0.0008063700000000 ] - [ -0.0037206800000000, -0.0045935600000000, 0.0019287300000000 ] - [ -0.0004214500000000, -0.0009068100000000, 0.0001361100000000 ] - [ -0.0847162000000000, 0.0795559600000000, -0.0068192600000000 ] - [ 0.0002556200000000, 0.0007561300000000, -0.0003449400000000 ] - [ 0.0506018200000000, 0.0689403700000000, -0.0371863600000000 ] - [ 0.0008265900000000, 0.0008518300000000, -0.0006767900000000 ] - [ -0.0002689900000000, -0.0011725200000000, 0.0004882800000000 ] - [ 0.0015530700000000, -0.0032894900000000, 0.0004815700000000 ] - [ -0.0018694600000000, 0.0017891100000000, -0.0028352700000000 ] - [ 0.0005607300000000, 0.0008058200000000, 0.0005989700000000 ] - [ 0.0002318700000000, -0.0011279000000000, -0.0008879800000000 ] - [ 0.0001682200000000, -0.0005128300000000, -0.0005142200000000 ] - [ -0.0009216600000000, 0.0012489500000000, 0.0006692200000000 ] - [ -0.0001889600000000, 0.0006788600000000, 0.0007264600000000 ] - [ 0.0031563300000000, -0.0015439700000000, 0.0005862400000000 ] - [ -0.0091527400000000, -0.0027594700000000, 0.0001325400000000 ] - [ 0.0027462300000000, -0.0014571400000000, -0.0014884000000000 ] - [ -0.0011850600000000, 0.0007981300000000, 0.0001321300000000 ] - [ 0.0000878000000000, 0.0003137100000000, 0.0003603500000000 ] - [ -0.0006724900000000, 0.0003207100000000, -0.0010321600000000 ] - [ -0.0007543700000000, -0.0062060600000000, 0.0047827400000000 ] - [ 0.0005496500000000, -0.0001070900000000, 0.0000348200000000 ] - [ -0.0003157200000000, 0.0008577000000000, 0.0001366200000000 ] - [ 0.0012113700000000, 0.0011225700000000, 0.0028536200000000 ] - [ -0.0030406600000000, -0.0041865800000000, -0.0032736100000000 ] - [ 0.0006634500000000, -0.0011965600000000, 0.0008595200000000 ] - [ -0.0007851500000000, 0.0007633500000000, -0.0046259400000000 ] - [ -0.0004474600000000, 0.0001454500000000, -0.0007983900000000 ] - [ -0.0002627900000000, -0.0115916500000000, -0.0014063000000000 ] - [ 0.0005843900000000, -0.0008521200000000, -0.0001510700000000 ] - [ -0.0021640200000000, 0.0000188400000000, -0.0004646400000000 ] - [ 0.0059123300000000, -0.0010839200000000, 0.0028455400000000 ] - [ 0.0004330600000000, -0.0007472500000000, -0.0013273000000000 ] - [ 0.0008192600000000, -0.0002119400000000, -0.0000613200000000 ] - [ 0.0001827500000000, 0.0008686800000000, -0.0008390200000000 ] - [ 0.0002710500000000, 0.0004876700000000, 0.0008492800000000 ] - [ 0.0002179400000000, -0.0016962500000000, 0.0007819600000000 ] - [ 0.0001921700000000, -0.0003044500000000, 0.0005859500000000 ] - [ -0.0004392000000000, 0.0018025200000000, 0.0000517900000000 ] - [ 0.0003087700000000, 0.0011050500000000, 0.0004177800000000 ] - [ 0.0009872400000000, -0.0079433600000000, 0.0004464500000000 ] - [ -0.0001965500000000, -0.0010113500000000, -0.0001730600000000 ] - [ 0.0015150300000000, 0.0051843100000000, -0.0016305300000000 ] - [ 0.0007791100000000, 0.0022200200000000, 0.0002278300000000 ] - [ 0.0010638300000000, -0.0040794100000000, -0.0023918200000000 ] - [ 0.0001016800000000, -0.0008237100000000, 0.0000101800000000 ] - [ 0.0011480700000000, 0.0058128900000000, -0.0006873200000000 ] - [ 0.0023246500000000, 0.0038173100000000, 0.0005469900000000 ] - [ 0.0001434500000000, -0.0006120700000000, -0.0006786500000000 ] - [ 0.0004775800000000, -0.0010222200000000, -0.0001238600000000 ] - [ -0.0001088800000000, 0.0048813200000000, 0.0009192200000000 ] - [ 0.0023184500000000, 0.0017760500000000, 0.0017059400000000 ] - [ 0.0015323800000000, -0.0060375200000000, 0.0013310000000000 ] - [ -0.0012078700000000, -0.0007986200000000, 0.0001233500000000 ] - [ -0.0114451000000000, 0.0024099400000000, 0.0042233200000000 ] - [ 0.0021447100000000, 0.0004318000000000, 0.0001752900000000 ] - [ 0.0003280300000000, -0.0013270200000000, -0.0005891000000000 ] - [ 0.0005324800000000, -0.0003754800000000, 0.0001205200000000 ] - [ 0.0019172200000000, -0.0039831400000000, 0.0057599500000000 ] - [ -0.0000147300000000, -0.0007309600000000, 0.0003545600000000 ] - [ -0.0000647900000000, -0.0002345300000000, 0.0008735600000000 ] - [ 0.0001859200000000, 0.0001219700000000, -0.0002654100000000 ] - [ 0.0003734100000000, -0.0016186300000000, 0.0015655700000000 ] - [ -0.0005861600000000, 0.0000262400000000, 0.0005218900000000 ] - [ 0.0032173500000000, -0.0069609600000000, -0.0030040200000000 ] - [ 0.0000334000000000, -0.0002440200000000, -0.0002456400000000 ] - [ 0.0008099200000000, 0.0001844000000000, -0.0004893500000000 ] - [ -0.0004453000000000, 0.0008252200000000, -0.0012105200000000 ] - [ 0.0509717700000000, -0.3939990600000000, -0.0171936600000000 ] - [ -0.0009728900000000, -0.0020266600000000, 0.0008675200000000 ] - [ 0.0001952400000000, 0.0012515200000000, 0.0002406900000000 ] - [ -0.0054320700000000, 0.0046695800000000, -0.0049776900000000 ] - [ 0.0024257900000000, 0.0006225500000000, 0.0043341200000000 ] - [ -0.0032366300000000, -0.0001169900000000, 0.0003067500000000 ] - [ 0.0013443800000000, 0.0009135300000000, 0.0016054800000000 ] - [ 0.0004850900000000, 0.0000234800000000, -0.0010770900000000 ] - [ -0.0007981800000000, -0.0022352500000000, -0.0000924400000000 ] - [ -0.0010011500000000, -0.0012408700000000, -0.0014433300000000 ] - [ 0.0005015900000000, 0.0021497400000000, 0.0000948800000000 ] - [ 0.0001370000000000, 0.0006557800000000, -0.0007775100000000 ] - [ 0.0086133400000000, -0.0108732300000000, 0.0032060700000000 ] - [ -0.0046678900000000, -0.0046882300000000, -0.0005687800000000 ] - [ -0.0049567500000000, 0.0139609700000000, 0.0012377000000000 ] - [ -0.0004778200000000, 0.0013007000000000, 0.0004571500000000 ] - [ -0.0006672700000000, 0.0027020500000000, 0.0001181600000000 ] - [ -0.0006806200000000, 0.0018587500000000, 0.0002769800000000 ] - [ 0.0021720700000000, -0.0060364300000000, 0.0028625100000000 ] - [ 0.0002786500000000, -0.0002143400000000, -0.0013880500000000 ] - [ 0.0237864000000000, 0.0313918700000000, -0.0127665500000000 ] - [ -0.0022872100000000, 0.0004453000000000, -0.0009434100000000 ] - [ 0.0024370800000000, 0.0032142100000000, -0.0001590600000000 ] - [ 0.0000792700000000, 0.0024238900000000, 0.0002935900000000 ] - [ -0.0004030600000000, -0.0017415700000000, 0.0008441100000000 ] - [ -0.0022543100000000, -0.0029435600000000, -0.0012118400000000 ] - [ -0.0009947000000000, 0.0085414300000000, 0.0004634400000000 ] - [ -0.0000953300000000, 0.0013979100000000, -0.0001004400000000 ] - [ 0.0041750400000000, -0.0087240600000000, -0.0073183400000000 ] - [ -0.0004512100000000, -0.0014255500000000, 0.0000507200000000 ] - [ -0.0008166700000000, 0.0061554700000000, -0.0014517900000000 ] - [ 0.0007225500000000, 0.0017178900000000, -0.0005415200000000 ] - [ -0.0010402600000000, 0.0017530100000000, -0.0058200700000000 ] - [ -0.0000859100000000, 0.0009056500000000, -0.0004997300000000 ] - [ 0.0001110600000000, 0.0017382400000000, 0.0017772200000000 ] - [ -0.0000945600000000, 0.0012061100000000, -0.0003689600000000 ] - [ 0.0109796200000000, 0.0334527600000000, -0.0036795300000000 ] - [ -0.0003486500000000, -0.0004333600000000, 0.0006180700000000 ] - [ -0.0128135500000000, 0.0077097100000000, 0.0077480100000000 ] - [ 0.0032532900000000, -0.0016320800000000, 0.0027457100000000 ] - [ -0.0003812100000000, 0.0013705300000000, 0.0001693800000000 ] - [ 0.0011773100000000, 0.0028967800000000, 0.0028770400000000 ] - [ -0.0255326400000000, -0.0106051900000000, 0.0177784800000000 ] - [ -0.0002088600000000, -0.0014515400000000, 0.0002254900000000 ] - [ 0.0001802800000000, 0.0043550300000000, -0.0017018500000000 ] - [ -0.0002539000000000, 0.0009114800000000, 0.0004776600000000 ] - [ -0.0076001600000000, -0.0086683200000000, -0.0129945000000000 ] - [ 0.0024168200000000, -0.0034661400000000, -0.0015084900000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009339400000000, 0.0035273800000000, 0.0006041200000000 ] - [ 0.0003654100000000, 0.0017073600000000, 0.0004741900000000 ] - [ 0.0005457700000000, -0.1873119100000000, -0.0896384500000000 ] - [ 0.0000231600000000, -0.0005947400000000, 0.0000617400000000 ] - [ 0.0003423500000000, 0.0013002100000000, -0.0004029200000000 ] - [ 0.0000963200000000, 0.0007081200000000, -0.0001469400000000 ] - [ 0.0003227700000000, -0.0053011300000000, -0.0025497600000000 ] - [ -0.0000050500000000, -0.0007442400000000, -0.0003956900000000 ] - [ 0.0053946200000000, -0.0385237700000000, 0.0167538300000000 ] - [ 0.0004570600000000, -0.0011485500000000, -0.0000353100000000 ] - [ -0.0004569900000000, 0.0007048600000000, 0.0005013400000000 ] - [ -0.0005644500000000, 0.0011923000000000, 0.0004197100000000 ] - [ -0.0004391500000000, -0.0007051700000000, 0.0008880600000000 ] - [ -0.0010102300000000, 0.0004415900000000, -0.0007444700000000 ] - [ 0.0006493100000000, 0.0016802200000000, -0.0005607400000000 ] - [ 0.0004014300000000, 0.0013195600000000, -0.0004798600000000 ] - [ 0.0009135200000000, 0.0010046700000000, -0.0006891800000000 ] - [ 0.0007899300000000, 0.0005130800000000, 0.0000150800000000 ] - [ 0.0001321200000000, -0.0013709200000000, 0.0044319900000000 ] - [ -0.0008695700000000, -0.0002822100000000, -0.0003564400000000 ] - [ 0.0025521600000000, 0.0043198000000000, -0.0014828200000000 ] - [ -0.0007656200000000, 0.0006221700000000, 0.0003128500000000 ] - [ 0.0831507100000000, -0.0794706600000000, 0.0059822600000000 ] - [ 0.0009269300000000, -0.0010388800000000, -0.0001014400000000 ] - [ -0.0487378600000000, -0.0684741600000000, 0.0346935600000000 ] - [ -0.0008240000000000, -0.0009448200000000, -0.0002969000000000 ] - [ 0.0002698800000000, 0.0010824600000000, 0.0004834100000000 ] - [ -0.0015695800000000, 0.0032031500000000, 0.0004919700000000 ] - [ 0.0018566300000000, -0.0017077000000000, 0.0038100900000000 ] - [ -0.0005643500000000, -0.0007190500000000, 0.0003776800000000 ] - [ -0.0002253000000000, 0.0012246300000000, -0.0000906500000000 ] - [ -0.0001659500000000, 0.0006098200000000, -0.0004606200000000 ] - [ -0.0001560100000000, -0.0010604700000000, -0.0003545300000000 ] - [ -0.0008883600000000, -0.0004851200000000, -0.0004001300000000 ] - [ -0.0037013900000000, 0.0007151500000000, -0.0012059100000000 ] - [ 0.0086678900000000, 0.0019597200000000, -0.0007290500000000 ] - [ -0.0022144500000000, 0.0022977100000000, 0.0021036700000000 ] - [ 0.0017125300000000, 0.0000451500000000, 0.0004893300000000 ] - [ -0.0006134500000000, 0.0005386400000000, -0.0009813000000000 ] - [ 0.0001455000000000, 0.0005348100000000, 0.0004045600000000 ] - [ 0.0004826200000000, 0.0072346600000000, -0.0057326600000000 ] - [ -0.0008119500000000, 0.0010985200000000, -0.0010082300000000 ] - [ 0.0005764400000000, 0.0001243900000000, 0.0008266100000000 ] - [ -0.0009597400000000, -0.0001535000000000, -0.0018984200000000 ] - [ 0.0033033200000000, 0.0031910900000000, 0.0042634900000000 ] - [ -0.0004035300000000, 0.0002063000000000, 0.0001130300000000 ] - [ 0.0005313200000000, -0.0017343600000000, 0.0036487300000000 ] - [ 0.0001896500000000, -0.0011293600000000, -0.0001726400000000 ] - [ 0.0000085600000000, 0.0108120100000000, 0.0016085200000000 ] - [ -0.0007873600000000, 0.0001467400000000, 0.0003075500000000 ] - [ 0.0023872400000000, -0.0007302400000000, 0.0003126500000000 ] - [ -0.0057596300000000, 0.0003662000000000, -0.0030124300000000 ] - [ -0.0002330800000000, 0.0014520700000000, 0.0011751500000000 ] - [ -0.0006159400000000, 0.0009159200000000, -0.0000979100000000 ] - [ -0.0003774900000000, -0.0001521600000000, 0.0009852800000000 ] - [ -0.0004704700000000, 0.0002272200000000, -0.0007017300000000 ] - [ 0.0001486900000000, 0.0023570400000000, -0.0002071300000000 ] - [ 0.0001768400000000, 0.0009663200000000, -0.0000203800000000 ] - [ 0.0000665500000000, -0.0011424200000000, -0.0006204600000000 ] - [ -0.0006710100000000, -0.0004503300000000, -0.0009840600000000 ] - [ -0.0013529700000000, 0.0072695400000000, -0.0009960900000000 ] - [ -0.0001722600000000, 0.0003529100000000, -0.0003951700000000 ] - [ -0.0011487000000000, -0.0058721200000000, 0.0022036700000000 ] - [ -0.0003962200000000, -0.0028884300000000, 0.0003408800000000 ] - [ -0.0011198000000000, 0.0035970200000000, 0.0028838300000000 ] - [ -0.0001636400000000, 0.0003592600000000, 0.0005070700000000 ] - [ -0.0010896900000000, -0.0063142700000000, 0.0001842900000000 ] - [ -0.0022507400000000, -0.0042956300000000, -0.0010520600000000 ] - [ -0.0000816200000000, 0.0010786100000000, 0.0001617700000000 ] - [ -0.0004185200000000, 0.0014884700000000, -0.0004048200000000 ] - [ 0.0000594800000000, -0.0044136300000000, -0.0004186200000000 ] - [ -0.0023933600000000, -0.0013153900000000, -0.0011923000000000 ] - [ -0.0025693600000000, 0.0058283500000000, -0.0010061200000000 ] - [ 0.0001318400000000, 0.0006186300000000, 0.0001973300000000 ] - [ 0.0126668800000000, -0.0026081700000000, -0.0045901100000000 ] - [ -0.0010712600000000, -0.0006251700000000, -0.0004956100000000 ] - [ 0.0007489300000000, 0.0015064300000000, 0.0002701800000000 ] - [ 0.0005431700000000, 0.0005576000000000, -0.0004421500000000 ] - [ -0.0014010700000000, 0.0031567700000000, -0.0051655600000000 ] - [ 0.0005457400000000, -0.0001176300000000, 0.0002637200000000 ] - [ 0.0002481300000000, 0.0004901700000000, -0.0012530100000000 ] - [ -0.0000054400000000, 0.0001408200000000, -0.0001040800000000 ] - [ -0.0005496200000000, 0.0018977300000000, -0.0011906900000000 ] - [ 0.0004067900000000, 0.0002439400000000, -0.0001545900000000 ] - [ -0.0030196800000000, 0.0066549100000000, 0.0026512100000000 ] - [ 0.0001481400000000, -0.0000239200000000, -0.0001217500000000 ] - [ -0.0009899400000000, -0.0004496300000000, 0.0008576600000000 ] - [ 0.0002597700000000, -0.0010730400000000, 0.0015735200000000 ] - [ -0.0519784600000000, 0.4013048900000000, 0.0283928700000000 ] - [ -0.0004505200000000, 0.0003830200000000, 0.0000337300000000 ] - [ -0.0016777600000000, -0.0006356100000000, 0.0011791600000000 ] - [ 0.0040015900000000, -0.0040567000000000, 0.0064234700000000 ] - [ -0.0038926200000000, -0.0012216000000000, -0.0029353700000000 ] - [ 0.0017594300000000, -0.0004894300000000, 0.0011024100000000 ] - [ 0.0001259400000000, -0.0015395900000000, -0.0029994700000000 ] - [ 0.0009854400000000, -0.0006507000000000, -0.0003264100000000 ] - [ -0.0001978600000000, 0.0016291000000000, 0.0007297200000000 ] - [ 0.0000098600000000, 0.0006417400000000, 0.0020694200000000 ] - [ 0.0004907900000000, -0.0027416400000000, -0.0007178800000000 ] - [ 0.0008540900000000, -0.0012494900000000, 0.0001670100000000 ] - [ -0.0076925200000000, 0.0115653400000000, -0.0038729900000000 ] - [ 0.0056760700000000, 0.0053366800000000, -0.0000639900000000 ] - [ 0.0039058900000000, -0.0132615800000000, -0.0006031500000000 ] - [ -0.0005122000000000, -0.0007082700000000, 0.0001635800000000 ] - [ -0.0007577100000000, -0.0010563600000000, 0.0007873700000000 ] - [ -0.0007374100000000, -0.0002125100000000, 0.0006237000000000 ] - [ -0.0007406000000000, 0.0076960000000000, -0.0037448600000000 ] - [ 0.0011395400000000, 0.0018652500000000, 0.0004780300000000 ] - [ -0.0220728300000000, -0.0308521300000000, 0.0111424700000000 ] - [ 0.0037703800000000, 0.0001679900000000, -0.0004652400000000 ] - [ -0.0010382100000000, -0.0048712400000000, -0.0007411600000000 ] - [ 0.0013583800000000, -0.0040730100000000, -0.0011996200000000 ] - [ 0.0006752300000000, 0.0022073400000000, -0.0009817100000000 ] - [ 0.0025066800000000, 0.0034040800000000, 0.0010383800000000 ] - [ 0.0007293800000000, -0.0080655000000000, -0.0003389700000000 ] - [ -0.0001833400000000, -0.0009366100000000, 0.0002458600000000 ] - [ -0.0044006000000000, 0.0083506600000000, 0.0074389400000000 ] - [ 0.0001728200000000, 0.0009677100000000, 0.0001003300000000 ] - [ 0.0010766400000000, -0.0066145400000000, 0.0012781600000000 ] - [ -0.0004435500000000, -0.0021875800000000, 0.0003928100000000 ] - [ 0.0007203100000000, 0.0001198000000000, 0.0051024500000000 ] - [ -0.0002303400000000, 0.0009803900000000, -0.0002117800000000 ] - [ 0.0002024400000000, 0.0001710300000000, -0.0010471300000000 ] - [ 0.0004162800000000, 0.0006998700000000, 0.0010887500000000 ] - [ -0.0106886300000000, -0.0355534900000000, 0.0042860300000000 ] - [ 0.0006664800000000, -0.0014586000000000, 0.0000931300000000 ] - [ 0.0124355500000000, -0.0096630200000000, -0.0084660200000000 ] - [ -0.0035689200000000, -0.0002826600000000, -0.0034711900000000 ] - [ 0.0008014800000000, -0.0011105100000000, -0.0005205300000000 ] - [ -0.0007338900000000, -0.0026340600000000, -0.0031958100000000 ] - [ 0.0251104000000000, 0.0109169200000000, -0.0174753600000000 ] - [ -0.0002152300000000, 0.0017266600000000, 0.0001191500000000 ] - [ -0.0006203500000000, -0.0046235800000000, 0.0020831600000000 ] - [ -0.0001684700000000, -0.0011767500000000, -0.0001212000000000 ] - [ 0.0080654000000000, 0.0083763300000000, 0.0126879100000000 ] - [ -0.0020107800000000, 0.0031967100000000, 0.0011581800000000 ]- atom: 89 displacement: [ -0.0050436217710434, 0.0000000000000000, 0.0086349220859633 ] forces: - [ 0.0006285300000000, -0.0017265300000000, -0.0003303300000000 ] - [ -0.0003757100000000, 0.0002910100000000, 0.0015389100000000 ] - [ -0.0211003300000000, 0.0704370200000000, 0.0751377400000000 ] - [ 0.0014169200000000, 0.0000095000000000, -0.0004613500000000 ] - [ 0.0010706200000000, 0.0000674600000000, -0.0012542800000000 ] - [ -0.0003683300000000, 0.0002868900000000, 0.0001294500000000 ] - [ -0.0054316300000000, 0.0005481400000000, -0.0044089700000000 ] - [ 0.0015663800000000, -0.0006747300000000, -0.0026239200000000 ] - [ 0.0160807400000000, -0.0115682100000000, 0.1516717600000000 ] - [ 0.0016382200000000, -0.0007413000000000, -0.0002929900000000 ] - [ -0.0008752700000000, -0.0008597300000000, 0.0008739500000000 ] - [ 0.0006025800000000, 0.0000405100000000, 0.0014895200000000 ] - [ -0.0011160800000000, 0.0006409800000000, -0.0027323500000000 ] - [ -0.0017014800000000, 0.0015236700000000, -0.0074062500000000 ] - [ 0.0017885400000000, 0.0008374200000000, -0.0020996900000000 ] - [ 0.0000438600000000, 0.0005103900000000, -0.0003993000000000 ] - [ 0.0013938200000000, 0.0006222300000000, -0.0020574100000000 ] - [ 0.0001018200000000, -0.0004653700000000, -0.0001457200000000 ] - [ -0.0012142100000000, -0.0007066200000000, -0.0047265900000000 ] - [ -0.0009692500000000, 0.0007696100000000, -0.0010807300000000 ] - [ -0.0023537700000000, -0.0000747700000000, 0.0019277700000000 ] - [ -0.0000972700000000, 0.0001297800000000, 0.0007476000000000 ] - [ -0.0817234600000000, 0.0379031300000000, 0.0275886900000000 ] - [ 0.0028175500000000, -0.0006970200000000, 0.0007897800000000 ] - [ -0.0972546000000000, -0.0544125900000000, 0.0870582800000000 ] - [ 0.0013534400000000, 0.0001639700000000, -0.0008993700000000 ] - [ 0.0002340800000000, 0.0002450200000000, 0.0001836600000000 ] - [ -0.0009872200000000, 0.0008515000000000, 0.0018438600000000 ] - [ -0.0027645400000000, -0.0009806500000000, -0.0004511700000000 ] - [ 0.0021891200000000, 0.0008704100000000, -0.0017256400000000 ] - [ 0.0012705000000000, -0.0020518300000000, -0.0022664000000000 ] - [ -0.0005042800000000, 0.0001127800000000, -0.0002375200000000 ] - [ 0.0006084900000000, -0.0008058400000000, -0.0029332200000000 ] - [ -0.0019580800000000, -0.0019967500000000, -0.0027427500000000 ] - [ 0.0022660300000000, -0.0015610200000000, 0.0010329100000000 ] - [ 0.0138838400000000, 0.0051908900000000, 0.0002624700000000 ] - [ 0.0035905900000000, -0.0015408300000000, -0.0026196400000000 ] - [ -0.0016108800000000, 0.0009069900000000, 0.0001566000000000 ] - [ -0.0010910300000000, 0.0006250900000000, -0.0017596600000000 ] - [ -0.0009853900000000, -0.0015172900000000, -0.0022094600000000 ] - [ 0.0000011300000000, 0.0118000000000000, -0.0069567800000000 ] - [ 0.0004347700000000, -0.0001832800000000, -0.0005172700000000 ] - [ 0.0006822900000000, 0.0009073200000000, -0.0011473800000000 ] - [ -0.0021878600000000, 0.0043559100000000, 0.0007535100000000 ] - [ -0.0018323400000000, -0.0014232100000000, -0.0001995600000000 ] - [ 0.0011788400000000, -0.0004952000000000, 0.0004431200000000 ] - [ 0.0029460000000000, -0.0062981900000000, -0.0060208900000000 ] - [ -0.0000655000000000, -0.0010010600000000, 0.0005851600000000 ] - [ -0.0054155500000000, 0.0117118600000000, 0.0087736200000000 ] - [ 0.0011272800000000, -0.0010043000000000, -0.0003232300000000 ] - [ 0.0032615200000000, 0.0012087000000000, -0.0006548200000000 ] - [ -0.0007312300000000, -0.0010787300000000, 0.0053112800000000 ] - [ -0.0005235700000000, 0.0001733800000000, -0.0006019500000000 ] - [ 0.0011309000000000, 0.0001267600000000, -0.0010891200000000 ] - [ 0.0021841900000000, 0.0015913700000000, -0.0042855800000000 ] - [ -0.0018742900000000, -0.0004149600000000, 0.0007533700000000 ] - [ -0.0011197000000000, 0.0009224000000000, -0.0002417000000000 ] - [ 0.0009227900000000, 0.0001773300000000, -0.0004115600000000 ] - [ 0.0042476100000000, -0.0003691300000000, -0.0066124400000000 ] - [ -0.0028499600000000, 0.0007831200000000, -0.0006140800000000 ] - [ -0.0022446800000000, -0.0007460500000000, 0.0005492300000000 ] - [ 0.0005874800000000, -0.0001998700000000, -0.0004205100000000 ] - [ 0.0051417200000000, -0.0003310300000000, -0.0010250600000000 ] - [ -0.0028553000000000, -0.0003844000000000, 0.0047832600000000 ] - [ -0.0018416500000000, 0.0003552400000000, 0.0026979600000000 ] - [ 0.0003984600000000, -0.0001889500000000, 0.0002715500000000 ] - [ 0.0025783200000000, 0.0011946000000000, 0.0030159200000000 ] - [ 0.0058273800000000, -0.0019577400000000, 0.0023633300000000 ] - [ -0.0000714400000000, 0.0000477800000000, -0.0012829500000000 ] - [ 0.0000578100000000, 0.0002260000000000, -0.0004933100000000 ] - [ 0.0043186600000000, 0.0015041500000000, -0.0066168700000000 ] - [ 0.0010565900000000, 0.0008791900000000, 0.0009773000000000 ] - [ -0.0034703000000000, -0.0043143200000000, 0.0017759700000000 ] - [ 0.0011081200000000, 0.0005210500000000, 0.0006482100000000 ] - [ 0.0056188000000000, 0.0088504300000000, 0.0053349000000000 ] - [ 0.0014777400000000, -0.0000361800000000, 0.0012953600000000 ] - [ 0.0004149500000000, 0.0000913400000000, -0.0016852800000000 ] - [ 0.0007339000000000, 0.0004884100000000, -0.0004427000000000 ] - [ 0.0001340000000000, 0.0029412700000000, 0.0037874400000000 ] - [ 0.0011972600000000, -0.0000863800000000, 0.0001402600000000 ] - [ 0.0012156000000000, 0.0036012900000000, -0.0020926600000000 ] - [ -0.0004270900000000, 0.0003203600000000, 0.0000101400000000 ] - [ -0.0019243100000000, -0.0005990800000000, 0.0013767300000000 ] - [ 0.0014393700000000, 0.0005020600000000, -0.0010144100000000 ] - [ 0.0001638400000000, -0.0036752900000000, -0.0003485000000000 ] - [ 0.0004762300000000, 0.0002853000000000, -0.0002393800000000 ] - [ 0.0013137500000000, -0.0006573200000000, -0.0008719600000000 ] - [ -0.0029350700000000, -0.0036855200000000, 0.0017257700000000 ] - [ 0.2119641500000000, -0.0474587600000000, -0.3885409400000000 ] - [ -0.0033875800000000, -0.0003308100000000, 0.0006743800000000 ] - [ -0.0025262400000000, -0.0010915100000000, 0.0026508500000000 ] - [ 0.0027970800000000, -0.0038025700000000, -0.0045781500000000 ] - [ 0.0027473900000000, 0.0007104100000000, 0.0014264700000000 ] - [ -0.0043817400000000, -0.0004160500000000, 0.0019798800000000 ] - [ 0.0003908800000000, 0.0039834700000000, 0.0067541900000000 ] - [ 0.0023295700000000, -0.0001037000000000, -0.0013855100000000 ] - [ -0.0033755000000000, -0.0003261900000000, 0.0093152700000000 ] - [ 0.0023469300000000, 0.0001272100000000, 0.0000903600000000 ] - [ 0.0012051400000000, -0.0001939500000000, 0.0012483300000000 ] - [ -0.0001247700000000, -0.0003663000000000, 0.0003931100000000 ] - [ -0.0096775400000000, -0.0013488600000000, -0.0030013200000000 ] - [ -0.0012381700000000, 0.0013609600000000, -0.0082474300000000 ] - [ 0.0083596000000000, -0.0007174000000000, -0.0030760700000000 ] - [ -0.0023013100000000, 0.0003356200000000, 0.0002358700000000 ] - [ -0.0026133200000000, 0.0011374300000000, 0.0034444900000000 ] - [ 0.0002029500000000, 0.0009883100000000, 0.0004231100000000 ] - [ 0.0035015800000000, 0.0029224900000000, 0.0051274000000000 ] - [ 0.0000574100000000, 0.0002359200000000, 0.0063827900000000 ] - [ -0.0183843300000000, -0.0425507700000000, 0.0017176200000000 ] - [ -0.0018657900000000, 0.0010014400000000, -0.0004016500000000 ] - [ 0.0008854700000000, -0.0002028600000000, -0.0008953800000000 ] - [ 0.0003083300000000, -0.0017911700000000, -0.0027450300000000 ] - [ -0.0035290700000000, 0.0001131900000000, 0.0040217400000000 ] - [ 0.0190004900000000, 0.0026411300000000, 0.0135695600000000 ] - [ -0.0005706900000000, -0.0017932000000000, 0.0013016300000000 ] - [ -0.0003203400000000, 0.0004197800000000, 0.0001611700000000 ] - [ -0.0245512200000000, -0.0122431300000000, 0.0335610900000000 ] - [ 0.0011967000000000, -0.0001438700000000, -0.0004624900000000 ] - [ 0.0024346600000000, 0.0013075400000000, -0.0014366500000000 ] - [ -0.0024643600000000, -0.0014406400000000, 0.0008397900000000 ] - [ 0.0029490800000000, -0.0016542900000000, 0.0070817400000000 ] - [ -0.0011629000000000, 0.0023960300000000, 0.0019285200000000 ] - [ -0.0022062600000000, 0.0006179700000000, 0.0053851600000000 ] - [ 0.0019341000000000, -0.0007206100000000, 0.0015523000000000 ] - [ 0.0098499300000000, 0.0038122400000000, -0.0122221700000000 ] - [ -0.0015375700000000, -0.0010794100000000, 0.0001116600000000 ] - [ -0.0109640000000000, 0.0098260600000000, 0.0018459000000000 ] - [ -0.0027099000000000, -0.0005263800000000, -0.0073938300000000 ] - [ -0.0010835800000000, 0.0006221700000000, 0.0016777100000000 ] - [ 0.0011222600000000, 0.0022267900000000, -0.0028713000000000 ] - [ -0.0224938300000000, 0.0223883200000000, 0.0227707600000000 ] - [ -0.0016847500000000, -0.0010304400000000, -0.0001977400000000 ] - [ -0.0001524000000000, -0.0022013000000000, 0.0002885900000000 ] - [ 0.0000315100000000, -0.0004101200000000, 0.0002068800000000 ] - [ 0.0068495500000000, -0.0030920800000000, -0.0102010200000000 ] - [ -0.0082279200000000, 0.0002221700000000, 0.0037567000000000 ]- atom: 89 displacement: [ 0.0050436217710434, 0.0000000000000000, -0.0086349220859633 ] forces: - [ -0.0009450700000000, 0.0018100000000000, 0.0004524800000000 ] - [ 0.0000600400000000, -0.0002054200000000, -0.0014207500000000 ] - [ 0.0210685100000000, -0.0724953500000000, -0.0757143900000000 ] - [ -0.0010999800000000, 0.0000726000000000, 0.0003450000000000 ] - [ -0.0007553400000000, -0.0001481000000000, 0.0011355100000000 ] - [ 0.0006865700000000, -0.0003719200000000, -0.0002485700000000 ] - [ 0.0051553500000000, -0.0006345400000000, 0.0045677800000000 ] - [ -0.0018888600000000, 0.0005924300000000, 0.0027463300000000 ] - [ -0.0120759800000000, 0.0094664100000000, -0.1455852700000000 ] - [ -0.0004221700000000, -0.0005498200000000, -0.0002989100000000 ] - [ -0.0003347500000000, -0.0004277600000000, -0.0002727400000000 ] - [ -0.0018105400000000, -0.0013314300000000, -0.0008968000000000 ] - [ -0.0000815500000000, 0.0006549000000000, 0.0033383600000000 ] - [ 0.0004617200000000, -0.0002362700000000, 0.0080128800000000 ] - [ -0.0005800300000000, 0.0004514000000000, 0.0014984700000000 ] - [ 0.0011639700000000, 0.0007802800000000, -0.0001974600000000 ] - [ -0.0002133200000000, -0.0003425500000000, 0.0016093000000000 ] - [ 0.0010771600000000, 0.0007493500000000, -0.0003027100000000 ] - [ 0.0000396500000000, 0.0009991400000000, 0.0051815800000000 ] - [ -0.0002137400000000, -0.0004877100000000, 0.0015334000000000 ] - [ 0.0011630800000000, -0.0001972600000000, -0.0014677800000000 ] - [ -0.0010795900000000, -0.0004118200000000, -0.0002993500000000 ] - [ 0.0822820200000000, -0.0375682000000000, -0.0288518900000000 ] - [ -0.0016374700000000, 0.0004120800000000, -0.0012420800000000 ] - [ 0.1032971400000000, 0.0589566800000000, -0.0920161100000000 ] - [ -0.0013534200000000, -0.0002590800000000, -0.0000719100000000 ] - [ -0.0002384500000000, -0.0003303600000000, 0.0007920700000000 ] - [ 0.0009832300000000, -0.0009479900000000, -0.0008704600000000 ] - [ 0.0027713700000000, 0.0010831000000000, 0.0014127100000000 ] - [ -0.0021995600000000, -0.0007802000000000, 0.0027032100000000 ] - [ -0.0012669700000000, 0.0021337300000000, 0.0012873600000000 ] - [ 0.0005111600000000, -0.0000212100000000, -0.0007377300000000 ] - [ -0.0016832000000000, 0.0009852100000000, 0.0032551300000000 ] - [ 0.0008807400000000, 0.0021949600000000, 0.0030802800000000 ] - [ -0.0028144200000000, 0.0007217800000000, -0.0016480700000000 ] - [ -0.0143684500000000, -0.0060238200000000, -0.0008701000000000 ] - [ -0.0030718900000000, 0.0023940500000000, 0.0032385000000000 ] - [ 0.0021390100000000, -0.0000584900000000, 0.0004648000000000 ] - [ 0.0005712200000000, 0.0002216300000000, 0.0011435700000000 ] - [ 0.0004426200000000, 0.0023619400000000, 0.0015845700000000 ] - [ -0.0002708600000000, -0.0108069300000000, 0.0059715100000000 ] - [ -0.0006980700000000, 0.0011718400000000, -0.0004550100000000 ] - [ -0.0004183600000000, 0.0000838400000000, 0.0021173400000000 ] - [ 0.0024544900000000, -0.0033870700000000, 0.0002242900000000 ] - [ 0.0020843500000000, 0.0004323600000000, 0.0011635400000000 ] - [ -0.0009215500000000, -0.0004890500000000, 0.0005255500000000 ] - [ -0.0031902400000000, 0.0052733600000000, 0.0050252900000000 ] - [ -0.0001876400000000, 0.0000150200000000, -0.0015541300000000 ] - [ 0.0052311100000000, -0.0124613800000000, -0.0086391600000000 ] - [ -0.0013297500000000, 0.0002968800000000, 0.0004803300000000 ] - [ -0.0030353200000000, -0.0019143600000000, 0.0005071400000000 ] - [ 0.0009474300000000, 0.0003663900000000, -0.0054746900000000 ] - [ 0.0007270900000000, 0.0005352800000000, 0.0004454700000000 ] - [ -0.0009356700000000, 0.0005846300000000, 0.0009354200000000 ] - [ -0.0023903500000000, -0.0008867900000000, 0.0044326900000000 ] - [ 0.0016826600000000, 0.0011278400000000, -0.0006029600000000 ] - [ 0.0014928200000000, -0.0002640200000000, 0.0008057200000000 ] - [ -0.0005557800000000, 0.0004833300000000, 0.0009794300000000 ] - [ -0.0046069700000000, 0.0010281200000000, 0.0060322400000000 ] - [ 0.0024998500000000, -0.0001268500000000, 0.0000523700000000 ] - [ 0.0018805300000000, 0.0000825200000000, -0.0011199300000000 ] - [ -0.0009566300000000, -0.0004586600000000, -0.0001471600000000 ] - [ -0.0047526000000000, -0.0003457800000000, 0.0016004900000000 ] - [ 0.0032406700000000, -0.0002759500000000, -0.0042245900000000 ] - [ 0.0017789200000000, -0.0008227500000000, -0.0021775600000000 ] - [ -0.0004578300000000, -0.0002772000000000, 0.0002470500000000 ] - [ -0.0025286800000000, -0.0016854600000000, -0.0035050800000000 ] - [ -0.0057830000000000, 0.0014995200000000, -0.0028974800000000 ] - [ 0.0001362800000000, 0.0004185100000000, 0.0007654700000000 ] - [ -0.0000002200000000, 0.0002406600000000, -0.0000221900000000 ] - [ -0.0043992000000000, -0.0010406700000000, 0.0071443700000000 ] - [ -0.0011280000000000, -0.0004166300000000, -0.0004610200000000 ] - [ 0.0023897900000000, 0.0041488400000000, -0.0014492700000000 ] - [ -0.0021822800000000, -0.0007032100000000, -0.0003294400000000 ] - [ -0.0044358900000000, -0.0089470000000000, -0.0056091500000000 ] - [ -0.0003944900000000, -0.0001494600000000, -0.0016196000000000 ] - [ 0.0006657800000000, 0.0000972400000000, 0.0013609000000000 ] - [ 0.0003405000000000, -0.0003054200000000, 0.0001243300000000 ] - [ 0.0003774900000000, -0.0037970100000000, -0.0031547800000000 ] - [ -0.0006626900000000, -0.0007585300000000, 0.0004794900000000 ] - [ -0.0010375000000000, -0.0033226300000000, 0.0017156500000000 ] - [ 0.0006113100000000, -0.0000551500000000, -0.0003801400000000 ] - [ 0.0017502400000000, 0.0008691600000000, -0.0010183500000000 ] - [ -0.0016219200000000, -0.0002378100000000, 0.0013814100000000 ] - [ 0.0000334400000000, 0.0033942600000000, -0.0000338000000000 ] - [ -0.0002952500000000, -0.0005507900000000, -0.0001271100000000 ] - [ -0.0014946200000000, 0.0003846400000000, 0.0012446400000000 ] - [ 0.0027568400000000, 0.0034334300000000, -0.0013576800000000 ] - [ -0.2216294600000000, 0.0436232900000000, 0.3878274300000000 ] - [ 0.0019655300000000, -0.0013140900000000, 0.0002219200000000 ] - [ 0.0010406000000000, 0.0016945100000000, -0.0012377900000000 ] - [ -0.0042721100000000, 0.0044499600000000, 0.0059842400000000 ] - [ -0.0042188200000000, -0.0013307400000000, -0.0000087000000000 ] - [ 0.0029208200000000, -0.0002036400000000, -0.0005700500000000 ] - [ 0.0011061500000000, -0.0045764500000000, -0.0081319000000000 ] - [ -0.0008697200000000, -0.0005156100000000, -0.0000218900000000 ] - [ 0.0023847900000000, -0.0002609800000000, -0.0086957700000000 ] - [ -0.0033473100000000, -0.0007294500000000, 0.0005287900000000 ] - [ -0.0002195700000000, -0.0004031500000000, -0.0018672100000000 ] - [ 0.0011218100000000, -0.0002314200000000, -0.0010154400000000 ] - [ 0.0105783500000000, 0.0020000000000000, 0.0023062700000000 ] - [ 0.0022076700000000, -0.0007655700000000, 0.0076570000000000 ] - [ -0.0093689500000000, 0.0013064800000000, 0.0036869300000000 ] - [ 0.0013091200000000, 0.0002591700000000, 0.0003838800000000 ] - [ 0.0011898800000000, 0.0005138700000000, -0.0025359200000000 ] - [ -0.0016252900000000, 0.0006602200000000, 0.0004802300000000 ] - [ -0.0021014800000000, -0.0013143600000000, -0.0060456500000000 ] - [ 0.0013736300000000, 0.0014128600000000, -0.0072902700000000 ] - [ 0.0200092400000000, 0.0432995900000000, -0.0031902600000000 ] - [ 0.0033492100000000, -0.0003834300000000, -0.0010087900000000 ] - [ 0.0005362500000000, -0.0014529300000000, -0.0000155300000000 ] - [ 0.0011090300000000, 0.0001434900000000, 0.0018456300000000 ] - [ 0.0037869100000000, 0.0003532300000000, -0.0041708400000000 ] - [ -0.0187291000000000, -0.0021960800000000, -0.0137267100000000 ] - [ 0.0002915800000000, 0.0022646500000000, -0.0011457000000000 ] - [ 0.0000480000000000, 0.0000410400000000, -0.0000162200000000 ] - [ 0.0241688000000000, 0.0116517800000000, -0.0329884100000000 ] - [ -0.0014897900000000, -0.0003186600000000, 0.0006102700000000 ] - [ -0.0021584800000000, -0.0017756500000000, 0.0012940200000000 ] - [ 0.0027396800000000, 0.0009752600000000, -0.0009820300000000 ] - [ -0.0032737800000000, 0.0035815900000000, -0.0078003100000000 ] - [ 0.0008550200000000, -0.0005035800000000, -0.0026436100000000 ] - [ 0.0025229900000000, 0.0012649200000000, -0.0046633700000000 ] - [ -0.0016193400000000, 0.0026251500000000, -0.0008458700000000 ] - [ -0.0094584300000000, -0.0056752000000000, 0.0128867900000000 ] - [ 0.0018524600000000, -0.0008183600000000, 0.0006029300000000 ] - [ 0.0106287400000000, -0.0116844800000000, -0.0026402400000000 ] - [ 0.0023795300000000, -0.0013740500000000, 0.0066820900000000 ] - [ 0.0015022800000000, -0.0003541100000000, -0.0020344800000000 ] - [ -0.0006890000000000, -0.0019653100000000, 0.0025140500000000 ] - [ 0.0222570000000000, -0.0223898400000000, -0.0225782500000000 ] - [ 0.0012637500000000, 0.0013018500000000, 0.0005403100000000 ] - [ -0.0002568800000000, 0.0019294200000000, 0.0000599500000000 ] - [ -0.0004623300000000, 0.0001436500000000, 0.0001476600000000 ] - [ -0.0064070000000000, 0.0028261800000000, 0.0099396100000000 ] - [ 0.0086680000000000, -0.0004784600000000, -0.0041008600000000 ]- atom: 91 displacement: [ 0.0099999999206514, 0.0000000000000000, 0.0000012597509720 ] forces: - [ -0.0018563700000000, 0.0060024300000000, -0.0008346400000000 ] - [ -0.0022058100000000, -0.0013954400000000, 0.0005326300000000 ] - [ -0.0017629200000000, -0.0006095400000000, 0.0008428200000000 ] - [ 0.0049658500000000, 0.0054878000000000, -0.0039198900000000 ] - [ -0.0014734800000000, 0.0029191400000000, -0.0035869400000000 ] - [ -0.0041586800000000, -0.0008636500000000, 0.0041630000000000 ] - [ -0.0000489800000000, -0.0000855100000000, 0.0008597900000000 ] - [ -0.0002516600000000, 0.0000172200000000, -0.0006814900000000 ] - [ -0.0017178000000000, -0.0010954100000000, -0.0007421500000000 ] - [ 0.0044988200000000, 0.0045654700000000, -0.0006571300000000 ] - [ -0.0006613300000000, 0.0027573200000000, 0.0084237200000000 ] - [ -0.0031438300000000, -0.0014749900000000, -0.0017529000000000 ] - [ 0.0040750200000000, 0.0010551300000000, 0.0023000400000000 ] - [ -0.0024323900000000, 0.0004815500000000, -0.0011333300000000 ] - [ -0.0004957500000000, 0.0009250900000000, -0.0028907400000000 ] - [ 0.0015389000000000, 0.0003644300000000, 0.0023116100000000 ] - [ 0.0019128700000000, 0.0005253000000000, -0.0009418000000000 ] - [ -0.0005589100000000, -0.0006342600000000, 0.0000825400000000 ] - [ 0.0005164800000000, -0.0009086000000000, -0.0017759000000000 ] - [ -0.0006756100000000, 0.0006561400000000, 0.0007944000000000 ] - [ -0.0072341700000000, 0.0024875800000000, 0.0016433800000000 ] - [ -0.0083253800000000, -0.0045294900000000, -0.0016409800000000 ] - [ -0.0007572700000000, -0.0006070200000000, 0.0006949600000000 ] - [ -0.0000664200000000, 0.0008807200000000, -0.0013358200000000 ] - [ -0.0012927000000000, -0.0006531300000000, -0.0001948800000000 ] - [ 0.0024641100000000, 0.0011921100000000, -0.0013719800000000 ] - [ 0.0570815900000000, -0.0586259600000000, -0.0056005500000000 ] - [ -0.0029423300000000, 0.0004999100000000, 0.0010579500000000 ] - [ 0.0003201100000000, 0.0005330000000000, 0.0016687200000000 ] - [ -0.0003658500000000, 0.0005853700000000, -0.0007680300000000 ] - [ -0.0006810600000000, 0.0010860400000000, -0.0012746500000000 ] - [ -0.0001959500000000, -0.0021887900000000, 0.0010365200000000 ] - [ -0.0001776500000000, -0.0007086300000000, -0.0009979100000000 ] - [ -0.0009755800000000, 0.0002635400000000, 0.0005089800000000 ] - [ 0.0016185500000000, -0.0006631500000000, 0.0007459900000000 ] - [ -0.0016759200000000, -0.0004321000000000, -0.0010039900000000 ] - [ -0.0023091100000000, 0.0010923700000000, -0.0027006500000000 ] - [ 0.0010781500000000, 0.0007276400000000, 0.0024355800000000 ] - [ 0.0019538600000000, 0.0002357700000000, 0.0001451100000000 ] - [ -0.0018078800000000, 0.0001538100000000, -0.0009182700000000 ] - [ -0.0005971900000000, 0.0004631800000000, -0.0006463800000000 ] - [ 0.0008114300000000, 0.0000968000000000, -0.0003458800000000 ] - [ 0.0501555600000000, 0.0296128600000000, 0.0483910900000000 ] - [ -0.0015877100000000, 0.0006678200000000, 0.0001929600000000 ] - [ 0.0000817000000000, -0.0005232800000000, 0.0034317200000000 ] - [ -0.0047264700000000, -0.0020596800000000, -0.0077939400000000 ] - [ -0.0011820800000000, -0.0013637800000000, -0.0016543000000000 ] - [ -0.0000662300000000, 0.0004590000000000, 0.0003481700000000 ] - [ -0.0015597200000000, 0.0000102900000000, 0.0001684300000000 ] - [ 0.0029300500000000, -0.0016791000000000, -0.0004763900000000 ] - [ 0.0587246200000000, 0.0326476200000000, -0.0476341000000000 ] - [ -0.0028467400000000, -0.0007427100000000, -0.0001465200000000 ] - [ 0.0004400800000000, 0.0009944300000000, 0.0032093700000000 ] - [ -0.0006011000000000, 0.0003690100000000, -0.0023932500000000 ] - [ -0.0006189100000000, 0.0001735200000000, -0.0008765800000000 ] - [ 0.0000608400000000, -0.0001738100000000, 0.0012774300000000 ] - [ 0.0003292100000000, -0.0001151300000000, 0.0025040000000000 ] - [ 0.0002802000000000, 0.0000834200000000, -0.0008919100000000 ] - [ -0.0003905300000000, -0.0011085800000000, -0.0020856300000000 ] - [ -0.0014474100000000, 0.0015044900000000, 0.0013937200000000 ] - [ -0.0018009600000000, 0.0002616000000000, 0.0006627700000000 ] - [ 0.0014553300000000, -0.0050044000000000, -0.0038275200000000 ] - [ -0.0022516600000000, -0.0070330300000000, -0.0014155500000000 ] - [ -0.0021831600000000, 0.0013488300000000, 0.0008101800000000 ] - [ -0.0023159200000000, 0.0007440700000000, -0.0002250400000000 ] - [ 0.0043417200000000, -0.0070871400000000, -0.0003581300000000 ] - [ -0.0024042800000000, -0.0039817100000000, 0.0065187200000000 ] - [ -0.0021169100000000, 0.0006014900000000, -0.0026322300000000 ] - [ 0.0060066300000000, -0.0045366600000000, 0.0053059500000000 ] - [ -0.0018209900000000, 0.0005120300000000, -0.0015513400000000 ] - [ -0.0008945400000000, 0.0001039100000000, -0.0012949300000000 ] - [ 0.0006855700000000, 0.0000233900000000, 0.0020066400000000 ] - [ -0.0018020400000000, 0.0000839900000000, 0.0009248000000000 ] - [ -0.0011684800000000, -0.0013328300000000, -0.0004362200000000 ] - [ -0.0063026300000000, -0.0024950800000000, 0.0009390700000000 ] - [ -0.0072638400000000, 0.0051499500000000, -0.0012893000000000 ] - [ 0.0026885800000000, 0.0015807100000000, -0.0005283800000000 ] - [ -0.0002580500000000, -0.0002960100000000, 0.0000552700000000 ] - [ -0.0033639600000000, -0.0007005500000000, -0.0001045400000000 ] - [ 0.2415985100000000, 0.0237427900000000, 0.0093043100000000 ] - [ -0.0020564200000000, -0.0001649000000000, -0.0014103600000000 ] - [ -0.0052283500000000, 0.0023697200000000, 0.0040136800000000 ] - [ -0.0001727200000000, -0.0000302200000000, 0.0007855400000000 ] - [ -0.0001826400000000, -0.0002630500000000, -0.0004035600000000 ] - [ -0.0009097600000000, 0.0000045500000000, 0.0000484700000000 ] - [ 0.0047253900000000, 0.0009521300000000, -0.0020414300000000 ] - [ 0.0010424100000000, -0.0011989800000000, 0.0003065500000000 ] - [ -0.0009394300000000, -0.0001064800000000, 0.0004409300000000 ] - [ 0.0022199700000000, 0.0001182000000000, 0.0000942700000000 ] - [ -0.0029578400000000, -0.0055355900000000, 0.0032202000000000 ] - [ -0.4602918300000000, -0.0371589800000000, -0.0089206500000000 ] - [ 0.0041833600000000, 0.0001582500000000, 0.0005811900000000 ] - [ -0.0011972800000000, -0.0011554000000000, -0.0039226300000000 ] - [ 0.0022736300000000, -0.0026728800000000, 0.0058684000000000 ] - [ 0.0026508600000000, -0.0002676500000000, 0.0009639800000000 ] - [ -0.0011401800000000, 0.0011842000000000, -0.0027596700000000 ] - [ -0.0001854100000000, 0.0010575800000000, 0.0028163400000000 ] - [ -0.0002362600000000, -0.0009564200000000, -0.0020210100000000 ] - [ -0.0027590500000000, -0.0013738600000000, -0.0063463400000000 ] - [ 0.0015696200000000, -0.0002301600000000, 0.0016208900000000 ] - [ 0.0220608300000000, 0.0225183400000000, -0.0142407600000000 ] - [ 0.0068784000000000, -0.0023036600000000, 0.0020404500000000 ] - [ 0.0024005700000000, -0.0006408300000000, 0.0001602200000000 ] - [ -0.0030875000000000, 0.0057562200000000, 0.0022550100000000 ] - [ -0.0011596100000000, -0.0023426200000000, 0.0042276200000000 ] - [ 0.0003673900000000, 0.0033217200000000, -0.0031492900000000 ] - [ -0.0015315400000000, 0.0014307000000000, -0.0021754800000000 ] - [ 0.0010800100000000, 0.0005735000000000, 0.0016175800000000 ] - [ 0.0028827100000000, 0.0006021200000000, -0.0005998900000000 ] - [ -0.0027554700000000, 0.0002532400000000, -0.0008102800000000 ] - [ 0.0177026100000000, -0.0238348600000000, -0.0127584100000000 ] - [ 0.0074600100000000, 0.0022049600000000, 0.0004676100000000 ] - [ -0.0086176000000000, 0.0069434700000000, 0.0009744800000000 ] - [ 0.0033269800000000, 0.0000291100000000, -0.0002413000000000 ] - [ 0.0016393800000000, -0.0001711800000000, 0.0008635900000000 ] - [ -0.0053586400000000, 0.0013567800000000, -0.0008419400000000 ] - [ 0.0050969300000000, 0.0030998900000000, 0.0032866200000000 ] - [ 0.0045203200000000, -0.0121119300000000, -0.0057438400000000 ] - [ 0.0013824900000000, -0.0011229300000000, -0.0043697900000000 ] - [ 0.0020647700000000, 0.0020555500000000, 0.0032521000000000 ] - [ -0.0011055000000000, 0.0016912500000000, -0.0007385400000000 ] - [ 0.0003257600000000, 0.0013941100000000, 0.0002841400000000 ] - [ 0.0046543500000000, 0.0004178500000000, 0.0171054100000000 ] - [ 0.0033210100000000, -0.0002956500000000, -0.0029849100000000 ] - [ 0.0059761200000000, -0.0014984500000000, -0.0032111900000000 ] - [ 0.0210037600000000, 0.0001927200000000, 0.0374212600000000 ] - [ 0.0005224900000000, -0.0003872800000000, -0.0018582600000000 ] - [ 0.0014537900000000, -0.0007369900000000, 0.0001562100000000 ] - [ -0.0113098000000000, -0.0029091300000000, 0.0047603500000000 ] - [ 0.0037025800000000, 0.0003468300000000, -0.0000734400000000 ] - [ 0.0024767500000000, 0.0002422900000000, 0.0016744200000000 ] - [ -0.0080165400000000, 0.0005068700000000, -0.0063402100000000 ] - [ 0.0071567100000000, -0.0025391700000000, 0.0035511700000000 ] - [ 0.0201235300000000, 0.0192463500000000, -0.0180454000000000 ] - [ 0.0005053000000000, 0.0015774400000000, -0.0033853500000000 ] - [ 0.0016565000000000, -0.0006176000000000, 0.0021756100000000 ]- atom: 91 displacement: [ -0.0099999999206514, 0.0000000000000000, -0.0000012597509720 ] forces: - [ 0.0015936600000000, -0.0059675400000000, 0.0009561300000000 ] - [ 0.0018852000000000, 0.0014756000000000, -0.0004131100000000 ] - [ 0.0020716900000000, 0.0006869700000000, -0.0009526800000000 ] - [ -0.0046604000000000, -0.0054158700000000, 0.0038198500000000 ] - [ 0.0017981500000000, -0.0029879900000000, 0.0034507500000000 ] - [ 0.0044696200000000, 0.0007860500000000, -0.0042816700000000 ] - [ -0.0002674500000000, 0.0000015100000000, -0.0007425400000000 ] - [ -0.0000663700000000, -0.0001017700000000, 0.0007995400000000 ] - [ 0.0029220200000000, -0.0001991900000000, 0.0001468100000000 ] - [ -0.0033082000000000, -0.0058864000000000, 0.0000681600000000 ] - [ -0.0005206100000000, -0.0040550500000000, -0.0078583000000000 ] - [ 0.0019307000000000, 0.0001837000000000, 0.0023454500000000 ] - [ -0.0052992800000000, 0.0002332000000000, -0.0017115900000000 ] - [ 0.0012188500000000, 0.0008072900000000, 0.0017238800000000 ] - [ 0.0017056000000000, 0.0003673300000000, 0.0022913400000000 ] - [ -0.0003295700000000, 0.0009255300000000, -0.0029100500000000 ] - [ -0.0007261100000000, -0.0002393700000000, 0.0004992800000000 ] - [ 0.0017355100000000, 0.0009165000000000, -0.0005330900000000 ] - [ -0.0016959500000000, 0.0011951400000000, 0.0022402500000000 ] - [ -0.0005096700000000, -0.0003730100000000, -0.0003523900000000 ] - [ 0.0060519100000000, -0.0027239100000000, -0.0011750600000000 ] - [ 0.0071263500000000, 0.0042375500000000, 0.0020792200000000 ] - [ 0.0019432400000000, 0.0003175600000000, -0.0011395200000000 ] - [ 0.0012479200000000, -0.0011663400000000, 0.0008890300000000 ] - [ 0.0012958600000000, 0.0005585600000000, -0.0007779000000000 ] - [ -0.0024665000000000, -0.0012858800000000, 0.0004001700000000 ] - [ -0.0574150400000000, 0.0573107700000000, 0.0064958400000000 ] - [ 0.0029302600000000, -0.0005881500000000, -0.0000809200000000 ] - [ -0.0003238100000000, -0.0004422700000000, -0.0006946800000000 ] - [ 0.0003613200000000, -0.0004935600000000, 0.0017421800000000 ] - [ 0.0006868700000000, -0.0009894400000000, 0.0002999100000000 ] - [ 0.0001976500000000, 0.0022758700000000, -0.0020096900000000 ] - [ -0.0008946600000000, 0.0008943100000000, 0.0013239100000000 ] - [ -0.0001039800000000, -0.0000796300000000, -0.0001919300000000 ] - [ -0.0021459500000000, -0.0001855700000000, -0.0013666700000000 ] - [ 0.0011480400000000, -0.0004171200000000, 0.0003845600000000 ] - [ 0.0028391500000000, -0.0002436700000000, 0.0033261500000000 ] - [ -0.0005475300000000, 0.0001187700000000, -0.0018206100000000 ] - [ -0.0024880400000000, 0.0006092900000000, -0.0007610900000000 ] - [ 0.0012798300000000, 0.0006952100000000, 0.0002972500000000 ] - [ 0.0003391100000000, 0.0005229400000000, -0.0003207100000000 ] - [ -0.0010723200000000, 0.0008878800000000, -0.0006267900000000 ] - [ -0.0506337100000000, -0.0286314400000000, -0.0474203600000000 ] - [ 0.0018432800000000, 0.0003181700000000, 0.0007736300000000 ] - [ 0.0001826800000000, -0.0004622700000000, -0.0024517700000000 ] - [ 0.0049874200000000, 0.0010726800000000, 0.0087746100000000 ] - [ 0.0009276900000000, 0.0003733700000000, 0.0006865400000000 ] - [ -0.0001928900000000, -0.0014495600000000, -0.0013217100000000 ] - [ 0.0013580700000000, -0.0007181800000000, -0.0000129600000000 ] - [ -0.0031338700000000, 0.0009673300000000, 0.0006285400000000 ] - [ -0.0586139900000000, -0.0325267700000000, 0.0461826400000000 ] - [ 0.0030446800000000, 0.0000329100000000, -0.0000067000000000 ] - [ -0.0002419300000000, -0.0002838100000000, -0.0033630700000000 ] - [ 0.0007989400000000, 0.0003408900000000, 0.0022353400000000 ] - [ 0.0004209800000000, 0.0005362400000000, 0.0010303800000000 ] - [ -0.0002622500000000, 0.0008815100000000, -0.0011251700000000 ] - [ 0.0000400700000000, 0.0007753600000000, -0.0019357500000000 ] - [ 0.0000865500000000, 0.0005772300000000, 0.0014576800000000 ] - [ 0.0000349200000000, 0.0017632200000000, 0.0015110700000000 ] - [ 0.0010801800000000, -0.0008471700000000, -0.0019664700000000 ] - [ 0.0014278100000000, -0.0009151300000000, -0.0012247100000000 ] - [ -0.0018283800000000, 0.0043502600000000, 0.0032614400000000 ] - [ 0.0026548400000000, 0.0063819800000000, 0.0019943300000000 ] - [ 0.0025512300000000, -0.0020105400000000, -0.0002418100000000 ] - [ 0.0022479500000000, -0.0012035600000000, 0.0007415700000000 ] - [ -0.0044107600000000, 0.0066329200000000, 0.0008763100000000 ] - [ 0.0025231600000000, 0.0035488500000000, -0.0070742800000000 ] - [ 0.0021792300000000, -0.0010691700000000, 0.0021179700000000 ] - [ -0.0059623700000000, 0.0050181500000000, -0.0058409500000000 ] - [ 0.0018759600000000, -0.0000425500000000, 0.0010294900000000 ] - [ 0.0008351700000000, 0.0003623900000000, 0.0018131700000000 ] - [ -0.0007464800000000, 0.0004469400000000, -0.0014955000000000 ] - [ 0.0007297300000000, -0.0002626800000000, -0.0006034900000000 ] - [ 0.0000898200000000, 0.0011462900000000, 0.0007559500000000 ] - [ 0.0073658600000000, 0.0022714000000000, -0.0012299500000000 ] - [ 0.0083565700000000, -0.0053327800000000, 0.0009744700000000 ] - [ -0.0016086400000000, -0.0013993600000000, 0.0002147300000000 ] - [ 0.0013320000000000, 0.0004812800000000, -0.0003795300000000 ] - [ 0.0038792000000000, -0.0001475900000000, 0.0007234400000000 ] - [ -0.2585148600000000, -0.0272462400000000, -0.0099118600000000 ] - [ 0.0022272700000000, 0.0004249200000000, 0.0010261500000000 ] - [ 0.0054218500000000, -0.0020974900000000, -0.0043841900000000 ] - [ -0.0000069900000000, 0.0002980900000000, -0.0004165500000000 ] - [ 0.0000014200000000, 0.0005284600000000, 0.0007720200000000 ] - [ 0.0010871100000000, -0.0002698600000000, -0.0004132300000000 ] - [ -0.0045541400000000, -0.0012194100000000, 0.0016689000000000 ] - [ -0.0012193600000000, 0.0009349200000000, 0.0000563100000000 ] - [ 0.0007577600000000, -0.0001605800000000, -0.0000723400000000 ] - [ -0.0036383800000000, -0.0017548400000000, 0.0008025300000000 ] - [ 0.0015452300000000, 0.0038993100000000, -0.0023348600000000 ] - [ 0.4777043200000000, 0.0408711100000000, 0.0131825500000000 ] - [ -0.0056427800000000, 0.0004574800000000, 0.0008281500000000 ] - [ -0.0002809500000000, 0.0005432200000000, 0.0053274900000000 ] - [ -0.0037495600000000, 0.0020588300000000, -0.0044590800000000 ] - [ -0.0011802300000000, -0.0003518500000000, -0.0023712200000000 ] - [ 0.0026159900000000, -0.0017969800000000, 0.0013564800000000 ] - [ -0.0008143100000000, -0.0016512600000000, -0.0021951300000000 ] - [ -0.0007522700000000, 0.0003607400000000, 0.0026499000000000 ] - [ 0.0037577700000000, 0.0007855000000000, 0.0057215500000000 ] - [ -0.0005724400000000, -0.0003679000000000, -0.0022363300000000 ] - [ -0.0211392200000000, -0.0217346400000000, 0.0134788700000000 ] - [ -0.0058930900000000, 0.0029060400000000, -0.0026665900000000 ] - [ -0.0033888700000000, 0.0012279100000000, 0.0004571100000000 ] - [ 0.0021059300000000, -0.0051587200000000, -0.0016346300000000 ] - [ -0.0002722500000000, 0.0039767800000000, -0.0033218200000000 ] - [ -0.0017824000000000, -0.0016744300000000, 0.0040516700000000 ] - [ 0.0029623800000000, 0.0002117900000000, 0.0012760100000000 ] - [ 0.0003467000000000, 0.0010739700000000, -0.0025155800000000 ] - [ -0.0014093500000000, 0.0000173800000000, -0.0008106500000000 ] - [ 0.0042301400000000, 0.0003679900000000, -0.0005943600000000 ] - [ -0.0163930500000000, 0.0220200800000000, 0.0117871200000000 ] - [ -0.0060278300000000, -0.0038525900000000, -0.0013710400000000 ] - [ 0.0088883000000000, -0.0065265400000000, -0.0011396300000000 ] - [ -0.0030482700000000, 0.0004361900000000, 0.0000978700000000 ] - [ -0.0019125600000000, 0.0006336500000000, -0.0007216500000000 ] - [ 0.0050922100000000, -0.0008866100000000, 0.0010038300000000 ] - [ -0.0053612000000000, -0.0035241200000000, -0.0031225500000000 ] - [ -0.0048294200000000, 0.0116876000000000, 0.0059095300000000 ] - [ -0.0011185600000000, 0.0006554700000000, 0.0042173100000000 ] - [ -0.0017891500000000, -0.0025179100000000, -0.0033953900000000 ] - [ 0.0007861000000000, 0.0002036600000000, 0.0000173500000000 ] - [ -0.0006417800000000, 0.0005028100000000, -0.0009970300000000 ] - [ -0.0043848500000000, 0.0014910800000000, -0.0163363900000000 ] - [ -0.0030036200000000, 0.0021893400000000, 0.0037091100000000 ] - [ -0.0056300900000000, -0.0004034300000000, 0.0038938100000000 ] - [ -0.0207883900000000, -0.0021316100000000, -0.0368035800000000 ] - [ -0.0008537100000000, -0.0015018100000000, 0.0011467000000000 ] - [ -0.0017716500000000, -0.0011547400000000, -0.0008709700000000 ] - [ 0.0117580600000000, 0.0032060500000000, -0.0051418200000000 ] - [ -0.0032720800000000, -0.0000829900000000, -0.0002782800000000 ] - [ -0.0029001500000000, 0.0000233500000000, -0.0013311400000000 ] - [ 0.0076164000000000, -0.0002539500000000, 0.0067309300000000 ] - [ -0.0075485400000000, 0.0022458900000000, -0.0031741700000000 ] - [ -0.0206502300000000, -0.0195654400000000, 0.0184034700000000 ] - [ -0.0000901100000000, -0.0018492700000000, 0.0030325700000000 ] - [ -0.0012340700000000, 0.0003530100000000, -0.0025310200000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0065395800000000, -0.0163108800000000, -0.0005221200000000 ] - [ -0.0005195800000000, -0.0004956800000000, 0.0000299300000000 ] - [ -0.0003583500000000, 0.0008261800000000, 0.0000961500000000 ] - [ 0.0035284400000000, 0.0007445000000000, 0.0023881200000000 ] - [ 0.0020131300000000, 0.0029169500000000, 0.0045315900000000 ] - [ -0.0007203000000000, 0.0005890200000000, 0.0003864900000000 ] - [ -0.0001093800000000, -0.0018082900000000, -0.0006879100000000 ] - [ -0.0002644400000000, -0.0008866100000000, 0.0002809700000000 ] - [ -0.0005759800000000, -0.0011628600000000, -0.0001309000000000 ] - [ 0.0075781300000000, -0.0059562200000000, 0.0022562000000000 ] - [ 0.0039857400000000, -0.0059663800000000, -0.0149775500000000 ] - [ -0.0009735400000000, -0.0005687100000000, 0.0001598300000000 ] - [ 0.0024848200000000, -0.0009231600000000, -0.0029195900000000 ] - [ -0.0015306500000000, 0.0004116000000000, -0.0001490000000000 ] - [ 0.0008715600000000, 0.0007403800000000, 0.0007634700000000 ] - [ 0.0003455300000000, 0.0004868500000000, -0.0019007000000000 ] - [ 0.0018317500000000, -0.0011101900000000, 0.0028153600000000 ] - [ 0.0000015200000000, -0.0003723200000000, -0.0003059700000000 ] - [ -0.0002946700000000, -0.0006987000000000, -0.0031358300000000 ] - [ -0.0002829600000000, 0.0005648800000000, 0.0014281300000000 ] - [ 0.0165368500000000, 0.0028001900000000, -0.0034627900000000 ] - [ -0.0016720200000000, 0.0004184600000000, -0.0006468600000000 ] - [ 0.0000502300000000, -0.0019149700000000, -0.0002159400000000 ] - [ 0.0030988200000000, -0.0019308900000000, 0.0009538700000000 ] - [ -0.0004050500000000, -0.0009889100000000, -0.0004118200000000 ] - [ -0.0006550300000000, -0.0038207400000000, 0.0009662700000000 ] - [ -0.0570135000000000, 0.1697621200000000, 0.0113534300000000 ] - [ -0.0003783000000000, 0.0005961400000000, 0.0005927000000000 ] - [ 0.0006427900000000, 0.0015978100000000, -0.0000130300000000 ] - [ -0.0002231500000000, 0.0004870800000000, 0.0005267900000000 ] - [ 0.0010105800000000, -0.0015485200000000, -0.0000492400000000 ] - [ -0.0006643500000000, -0.0012300600000000, -0.0003044500000000 ] - [ -0.0007021500000000, -0.0029557400000000, -0.0022588500000000 ] - [ -0.0002963200000000, -0.0006857800000000, 0.0002308500000000 ] - [ 0.0001045200000000, -0.0033080800000000, -0.0009052600000000 ] - [ -0.0000409000000000, -0.0012372600000000, -0.0005372900000000 ] - [ -0.0023645900000000, 0.0012024400000000, -0.0034526300000000 ] - [ -0.0002679400000000, 0.0020269400000000, 0.0014021500000000 ] - [ -0.0020245700000000, -0.0026701500000000, 0.0013124200000000 ] - [ -0.0005023600000000, -0.0004663200000000, -0.0002811800000000 ] - [ 0.0000931900000000, -0.0003989500000000, -0.0003129000000000 ] - [ -0.0004412100000000, -0.0014112800000000, -0.0012924900000000 ] - [ 0.0275135100000000, 0.0964913900000000, 0.0903136600000000 ] - [ 0.0001407000000000, 0.0011979300000000, 0.0006509700000000 ] - [ 0.0002166300000000, 0.0021553700000000, 0.0001067700000000 ] - [ -0.0011019200000000, 0.0008109500000000, -0.0009524600000000 ] - [ -0.0003724600000000, -0.0032253500000000, -0.0004109300000000 ] - [ 0.0001768500000000, -0.0026483300000000, -0.0009502500000000 ] - [ 0.0007348300000000, -0.0013310400000000, -0.0002679400000000 ] - [ 0.0000720200000000, -0.0040271200000000, -0.0021360000000000 ] - [ 0.0335684300000000, 0.0731438400000000, -0.0658004500000000 ] - [ 0.0003272000000000, 0.0003149900000000, -0.0004472900000000 ] - [ -0.0009774100000000, 0.0031156500000000, 0.0015757100000000 ] - [ -0.0005297400000000, 0.0015905400000000, 0.0002806000000000 ] - [ -0.0012009100000000, -0.0015609000000000, 0.0002929400000000 ] - [ -0.0006693700000000, -0.0010703800000000, 0.0006043900000000 ] - [ 0.0012310000000000, 0.0004258600000000, 0.0014114500000000 ] - [ -0.0001645200000000, 0.0002925200000000, -0.0003696200000000 ] - [ -0.0024073100000000, -0.0023592000000000, -0.0028237800000000 ] - [ 0.0004534900000000, 0.0003504000000000, -0.0004868200000000 ] - [ 0.0012257300000000, -0.0000072200000000, -0.0009146800000000 ] - [ -0.0027180900000000, -0.0007794900000000, -0.0030630400000000 ] - [ -0.0059332600000000, -0.0097483700000000, 0.0000686400000000 ] - [ 0.0004038900000000, -0.0003929500000000, 0.0003848300000000 ] - [ 0.0014836200000000, -0.0010647700000000, 0.0007912200000000 ] - [ -0.0054412500000000, -0.0032355800000000, -0.0008862700000000 ] - [ -0.0033972200000000, -0.0062940400000000, 0.0066384200000000 ] - [ -0.0001144800000000, -0.0001407600000000, -0.0008739400000000 ] - [ -0.0039372700000000, 0.0004017700000000, 0.0080122300000000 ] - [ 0.0006148900000000, 0.0003513900000000, 0.0002003700000000 ] - [ -0.0004714000000000, -0.0003550900000000, -0.0008542200000000 ] - [ -0.0000852800000000, -0.0009356200000000, 0.0016628700000000 ] - [ 0.0007645400000000, -0.0018862800000000, 0.0000406100000000 ] - [ -0.0024786700000000, -0.0016734700000000, -0.0007156500000000 ] - [ -0.0096198600000000, 0.0008701800000000, -0.0002899600000000 ] - [ -0.0001271600000000, 0.0020281500000000, -0.0002263400000000 ] - [ 0.0026475200000000, 0.0036529800000000, -0.0002663700000000 ] - [ 0.0003445300000000, 0.0011830600000000, -0.0007400000000000 ] - [ 0.0006833200000000, 0.0010786300000000, 0.0002603900000000 ] - [ 0.0299146000000000, 0.0376978500000000, 0.0013610500000000 ] - [ -0.0021249000000000, 0.0026358900000000, 0.0000306300000000 ] - [ -0.0006033600000000, 0.0021653700000000, 0.0005998300000000 ] - [ -0.0000953700000000, -0.0017260300000000, -0.0000212000000000 ] - [ -0.0002033600000000, -0.0007727800000000, 0.0000280900000000 ] - [ 0.0003736200000000, 0.0008240700000000, -0.0004150800000000 ] - [ 0.0013243200000000, 0.0042064700000000, 0.0000821200000000 ] - [ -0.0001928500000000, -0.0066105100000000, 0.0006588500000000 ] - [ -0.0000814300000000, -0.0007955500000000, 0.0002252600000000 ] - [ 0.0007303100000000, 0.0001160000000000, -0.0003188900000000 ] - [ -0.0049167600000000, 0.0035344000000000, -0.0068391100000000 ] - [ -0.0446482700000000, -0.4241195600000000, -0.0475043400000000 ] - [ -0.0008861300000000, -0.0010835900000000, 0.0008120900000000 ] - [ 0.0001105100000000, -0.0040542600000000, 0.0001760500000000 ] - [ 0.0016248700000000, -0.0027675600000000, 0.0010725800000000 ] - [ 0.0007785200000000, 0.0029766000000000, -0.0010449500000000 ] - [ 0.0022222600000000, 0.0031429000000000, -0.0006290600000000 ] - [ 0.0005903500000000, 0.0029583100000000, 0.0024709900000000 ] - [ -0.0005370900000000, 0.0009408900000000, -0.0006639300000000 ] - [ -0.0011345300000000, -0.0054775100000000, -0.0076811700000000 ] - [ 0.0010108500000000, -0.0013755100000000, -0.0005000800000000 ] - [ 0.0291059400000000, 0.0229274300000000, -0.0128960900000000 ] - [ 0.0001758200000000, -0.0004357900000000, 0.0002660200000000 ] - [ -0.0030662400000000, 0.0017832500000000, 0.0007705800000000 ] - [ 0.0034259000000000, 0.0051300000000000, 0.0050710600000000 ] - [ -0.0025714700000000, 0.0017497300000000, -0.0018191300000000 ] - [ 0.0002716700000000, 0.0010146400000000, 0.0011490600000000 ] - [ -0.0008012100000000, 0.0020425800000000, 0.0036237500000000 ] - [ 0.0006765100000000, 0.0011576400000000, -0.0002333600000000 ] - [ 0.0004421400000000, 0.0021769800000000, -0.0004111900000000 ] - [ 0.0007999100000000, 0.0067350200000000, 0.0008307900000000 ] - [ -0.0392188900000000, 0.0301576100000000, 0.0258687600000000 ] - [ 0.0020447500000000, -0.0006810900000000, -0.0004759600000000 ] - [ 0.0009816400000000, 0.0268966800000000, 0.0115053300000000 ] - [ 0.0007266600000000, 0.0006793900000000, -0.0001601400000000 ] - [ -0.0006417600000000, -0.0009392700000000, 0.0000627700000000 ] - [ 0.0028975600000000, -0.0012546800000000, 0.0058872200000000 ] - [ 0.0055733000000000, 0.0017183100000000, 0.0019155600000000 ] - [ -0.0068961300000000, -0.0020566900000000, 0.0010007300000000 ] - [ -0.0037019700000000, 0.0010955200000000, 0.0036352700000000 ] - [ 0.0013228500000000, -0.0000825900000000, 0.0009135200000000 ] - [ -0.0006262600000000, 0.0051770700000000, -0.0011310900000000 ] - [ 0.0002466200000000, 0.0029420700000000, -0.0000321100000000 ] - [ 0.0080819100000000, -0.0105105600000000, 0.0121000400000000 ] - [ 0.0003657800000000, -0.0011939100000000, -0.0003389600000000 ] - [ -0.0002212900000000, -0.0086286800000000, 0.0009723600000000 ] - [ 0.0019434000000000, -0.0091035200000000, 0.0048510100000000 ] - [ -0.0013492200000000, 0.0104362300000000, -0.0002433600000000 ] - [ -0.0002129000000000, 0.0018019000000000, -0.0002506200000000 ] - [ 0.0051695900000000, 0.0225616000000000, -0.0110731900000000 ] - [ -0.0001846400000000, 0.0010063500000000, -0.0003940000000000 ] - [ 0.0000603000000000, -0.0001814300000000, 0.0022922000000000 ] - [ -0.0031806300000000, 0.0006437700000000, -0.0098282200000000 ] - [ -0.0051645800000000, -0.0030396400000000, -0.0041819000000000 ] - [ 0.0105252200000000, -0.0013907800000000, -0.0026091700000000 ] - [ 0.0014283300000000, 0.0039581800000000, -0.0016092700000000 ] - [ 0.0000242600000000, 0.0012272500000000, -0.0003485200000000 ]- atom: 91 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0068156400000000, 0.0162984100000000, 0.0006401200000000 ] - [ 0.0002045800000000, 0.0005721700000000, 0.0000888600000000 ] - [ 0.0006765900000000, -0.0007412600000000, -0.0002144300000000 ] - [ -0.0032106600000000, -0.0006261300000000, -0.0024838500000000 ] - [ -0.0017021200000000, -0.0030194400000000, -0.0046603800000000 ] - [ 0.0010334100000000, -0.0006765200000000, -0.0005002400000000 ] - [ -0.0002067700000000, 0.0017298700000000, 0.0008010600000000 ] - [ -0.0000522200000000, 0.0008071500000000, -0.0001594800000000 ] - [ 0.0017871200000000, -0.0001250400000000, -0.0004638500000000 ] - [ -0.0062766300000000, 0.0045875700000000, -0.0028086500000000 ] - [ -0.0052177800000000, 0.0046919500000000, 0.0155946100000000 ] - [ -0.0002363400000000, -0.0007251300000000, 0.0004347200000000 ] - [ -0.0036956700000000, 0.0022260100000000, 0.0034904600000000 ] - [ 0.0003240200000000, 0.0008812500000000, 0.0007443700000000 ] - [ 0.0003357700000000, 0.0005463700000000, -0.0013606400000000 ] - [ 0.0008647900000000, 0.0008011100000000, 0.0013076800000000 ] - [ -0.0006618700000000, 0.0013904500000000, -0.0032715900000000 ] - [ 0.0011793600000000, 0.0006530900000000, -0.0001421100000000 ] - [ -0.0008947400000000, 0.0009953200000000, 0.0036005400000000 ] - [ -0.0008988400000000, -0.0002804500000000, -0.0009836800000000 ] - [ -0.0177610300000000, -0.0030802100000000, 0.0039198900000000 ] - [ 0.0004789600000000, -0.0007169600000000, 0.0010955900000000 ] - [ 0.0011284800000000, 0.0016355000000000, -0.0002306400000000 ] - [ -0.0018942500000000, 0.0016449100000000, -0.0013767200000000 ] - [ 0.0004114700000000, 0.0008997900000000, -0.0005640500000000 ] - [ 0.0006510000000000, 0.0037259400000000, -0.0019204200000000 ] - [ 0.0625373200000000, -0.1812604300000000, -0.0116379700000000 ] - [ 0.0003725800000000, -0.0006908200000000, 0.0003830700000000 ] - [ -0.0006469600000000, -0.0015034800000000, 0.0009843600000000 ] - [ 0.0002220600000000, -0.0003882900000000, 0.0004481500000000 ] - [ -0.0010068800000000, 0.0016391000000000, -0.0009257400000000 ] - [ 0.0006753600000000, 0.0013157600000000, -0.0006733300000000 ] - [ -0.0003848000000000, 0.0031408500000000, 0.0025675900000000 ] - [ -0.0007806500000000, 0.0008718200000000, 0.0000881700000000 ] - [ -0.0006403300000000, 0.0024633200000000, 0.0002872900000000 ] - [ -0.0004822800000000, 0.0003887500000000, -0.0000804200000000 ] - [ 0.0029000400000000, -0.0003485000000000, 0.0040927600000000 ] - [ 0.0007978200000000, -0.0011801200000000, -0.0007872100000000 ] - [ 0.0015006100000000, 0.0035212500000000, -0.0019406900000000 ] - [ -0.0000249800000000, 0.0013148200000000, -0.0003378900000000 ] - [ -0.0003529800000000, 0.0013843200000000, -0.0006599800000000 ] - [ 0.0001826000000000, 0.0023943800000000, 0.0003287400000000 ] - [ -0.0260361900000000, -0.0944825700000000, -0.0858555000000000 ] - [ 0.0001177600000000, -0.0002100800000000, 0.0003187800000000 ] - [ 0.0000437800000000, -0.0031491500000000, 0.0008630300000000 ] - [ 0.0013497800000000, -0.0018084200000000, 0.0019056300000000 ] - [ 0.0001114400000000, 0.0022392800000000, -0.0005606200000000 ] - [ -0.0004249100000000, 0.0016567300000000, -0.0000272700000000 ] - [ -0.0009346000000000, 0.0006221700000000, 0.0004220900000000 ] - [ -0.0002742200000000, 0.0033184600000000, 0.0023003600000000 ] - [ -0.0318789000000000, -0.0729418000000000, 0.0630018800000000 ] - [ -0.0001270400000000, -0.0010227100000000, 0.0002931400000000 ] - [ 0.0011818300000000, -0.0024190700000000, -0.0017352500000000 ] - [ 0.0007337600000000, -0.0008849200000000, -0.0004387000000000 ] - [ 0.0010005600000000, 0.0022725700000000, -0.0001372500000000 ] - [ 0.0004735900000000, 0.0017830000000000, -0.0004561700000000 ] - [ -0.0008656400000000, 0.0002293900000000, -0.0008526000000000 ] - [ 0.0005351000000000, 0.0003630900000000, 0.0009402800000000 ] - [ 0.0020410900000000, 0.0030381500000000, 0.0022517900000000 ] - [ -0.0008163400000000, 0.0003120500000000, -0.0000878600000000 ] - [ -0.0015979900000000, -0.0006546400000000, 0.0003470500000000 ] - [ 0.0023605100000000, 0.0001065300000000, 0.0025066400000000 ] - [ 0.0062692600000000, 0.0090962300000000, 0.0005135700000000 ] - [ -0.0000319300000000, -0.0002601800000000, 0.0001855900000000 ] - [ -0.0015470000000000, 0.0005978000000000, -0.0002775800000000 ] - [ 0.0054087600000000, 0.0027762500000000, 0.0014072600000000 ] - [ 0.0034922500000000, 0.0058977200000000, -0.0071999800000000 ] - [ 0.0001794500000000, -0.0003200300000000, 0.0003594700000000 ] - [ 0.0040386300000000, 0.0000562400000000, -0.0085943900000000 ] - [ -0.0005529600000000, 0.0001129400000000, -0.0007180900000000 ] - [ 0.0004116100000000, 0.0008278600000000, 0.0013704100000000 ] - [ 0.0000236100000000, 0.0014087700000000, -0.0011526700000000 ] - [ -0.0018449300000000, 0.0017039400000000, 0.0002773700000000 ] - [ 0.0014091100000000, 0.0014852500000000, 0.0010431000000000 ] - [ 0.0107254100000000, -0.0010393500000000, -0.0000174700000000 ] - [ 0.0011961300000000, -0.0021905700000000, -0.0000889500000000 ] - [ -0.0015812200000000, -0.0034866600000000, -0.0000482100000000 ] - [ 0.0007334400000000, -0.0010022100000000, 0.0004202400000000 ] - [ -0.0001548600000000, -0.0019294600000000, 0.0003588700000000 ] - [ -0.0281650700000000, -0.0381473300000000, -0.0006857100000000 ] - [ 0.0023196900000000, -0.0023693900000000, -0.0004010100000000 ] - [ 0.0007701400000000, -0.0018903900000000, -0.0009602800000000 ] - [ -0.0000845900000000, 0.0019964400000000, 0.0003888600000000 ] - [ 0.0000230100000000, 0.0010375900000000, 0.0003419500000000 ] - [ -0.0001933800000000, -0.0010919300000000, 0.0000471600000000 ] - [ -0.0011419000000000, -0.0044814100000000, -0.0004647300000000 ] - [ 0.0000026300000000, 0.0063381400000000, -0.0002891000000000 ] - [ -0.0000973600000000, 0.0005297500000000, 0.0001428100000000 ] - [ -0.0021543500000000, -0.0017709200000000, 0.0012226200000000 ] - [ 0.0034638500000000, -0.0051915500000000, 0.0076144700000000 ] - [ 0.0332114900000000, 0.4341029400000000, 0.0493271800000000 ] - [ -0.0005866200000000, 0.0017017900000000, 0.0005956900000000 ] - [ -0.0015881300000000, 0.0034400600000000, 0.0012349500000000 ] - [ -0.0031065300000000, 0.0021443600000000, 0.0003407300000000 ] - [ 0.0006938600000000, -0.0035944100000000, -0.0003633600000000 ] - [ -0.0007591800000000, -0.0037585400000000, -0.0007665000000000 ] - [ -0.0015727000000000, -0.0035693000000000, -0.0018499300000000 ] - [ -0.0004579900000000, -0.0015423300000000, 0.0012922500000000 ] - [ 0.0021405100000000, 0.0049203200000000, 0.0070965100000000 ] - [ -0.0000223200000000, 0.0007851700000000, -0.0001210900000000 ] - [ -0.0279897800000000, -0.0223999900000000, 0.0121173000000000 ] - [ 0.0008157700000000, 0.0010244000000000, -0.0008898400000000 ] - [ 0.0020788000000000, -0.0011869700000000, -0.0001480300000000 ] - [ -0.0044317900000000, -0.0045358300000000, -0.0044790300000000 ] - [ 0.0011590200000000, -0.0000943800000000, 0.0027235800000000 ] - [ -0.0016982300000000, 0.0006422600000000, -0.0002477400000000 ] - [ 0.0022387300000000, -0.0004105300000000, -0.0045137400000000 ] - [ 0.0007445300000000, 0.0004834500000000, -0.0006708400000000 ] - [ 0.0010268400000000, -0.0015618100000000, -0.0009959200000000 ] - [ 0.0006852300000000, -0.0061119600000000, -0.0022515900000000 ] - [ 0.0408163400000000, -0.0320870600000000, -0.0268047900000000 ] - [ -0.0006177100000000, -0.0009582300000000, -0.0004271500000000 ] - [ -0.0006456400000000, -0.0262728700000000, -0.0114764200000000 ] - [ -0.0004572600000000, -0.0002202200000000, 0.0000132500000000 ] - [ 0.0003715400000000, 0.0014109600000000, 0.0000840400000000 ] - [ -0.0031798900000000, 0.0017379600000000, -0.0057519900000000 ] - [ -0.0058443800000000, -0.0021993900000000, -0.0017639400000000 ] - [ 0.0065717300000000, 0.0015472700000000, -0.0008217600000000 ] - [ 0.0039855500000000, -0.0015573400000000, -0.0037896500000000 ] - [ -0.0010546700000000, -0.0003681100000000, -0.0010657900000000 ] - [ 0.0003081000000000, -0.0032841800000000, 0.0004262700000000 ] - [ -0.0005672500000000, -0.0010460100000000, -0.0006870800000000 ] - [ -0.0077966400000000, 0.0124073600000000, -0.0114582400000000 ] - [ -0.0000440700000000, 0.0030891500000000, 0.0010545400000000 ] - [ 0.0005344300000000, 0.0067495900000000, -0.0002580000000000 ] - [ -0.0015454600000000, 0.0072207400000000, -0.0040664900000000 ] - [ 0.0010408200000000, -0.0123225700000000, -0.0004715400000000 ] - [ -0.0001223100000000, -0.0036927200000000, -0.0004646300000000 ] - [ -0.0047165400000000, -0.0224017800000000, 0.0107504000000000 ] - [ 0.0006076800000000, -0.0007381300000000, 0.0000413700000000 ] - [ -0.0004855100000000, 0.0004395000000000, -0.0019481500000000 ] - [ 0.0027815700000000, -0.0004047900000000, 0.0102060500000000 ] - [ 0.0047379500000000, 0.0027881900000000, 0.0045460500000000 ] - [ -0.0109726000000000, 0.0012011300000000, 0.0029473400000000 ] - [ -0.0010091100000000, -0.0042381700000000, 0.0012619200000000 ] - [ 0.0003915100000000, -0.0014990800000000, -0.0000152600000000 ]- atom: 91 displacement: [ -0.0050436217710434, 0.0000000000000000, 0.0086349220859633 ] forces: - [ 0.0005224900000000, -0.0050393600000000, 0.0011624800000000 ] - [ 0.0006829700000000, 0.0007283100000000, -0.0002261900000000 ] - [ 0.0026883700000000, 0.0005196900000000, -0.0018491200000000 ] - [ -0.0064569400000000, 0.0001196300000000, 0.0010514600000000 ] - [ -0.0021765600000000, 0.0029573600000000, 0.0019382500000000 ] - [ 0.0026368200000000, 0.0003098100000000, -0.0023451400000000 ] - [ 0.0014840100000000, -0.0011013500000000, -0.0024145100000000 ] - [ -0.0009069500000000, 0.0000937100000000, 0.0001137000000000 ] - [ 0.0021350500000000, -0.0002605000000000, 0.0003228700000000 ] - [ -0.0010387200000000, -0.0023237800000000, 0.0057101600000000 ] - [ 0.0007939700000000, -0.0046341500000000, -0.0034882500000000 ] - [ -0.0000350900000000, -0.0002061500000000, 0.0005563200000000 ] - [ 0.0011874300000000, -0.0023024000000000, -0.0030039700000000 ] - [ -0.0005355500000000, 0.0006778600000000, 0.0008548100000000 ] - [ 0.0002072300000000, 0.0010878200000000, -0.0003909500000000 ] - [ 0.0009262200000000, 0.0005338400000000, -0.0026067900000000 ] - [ -0.0001068800000000, 0.0008066700000000, 0.0002043300000000 ] - [ 0.0011959500000000, 0.0004892300000000, -0.0007567600000000 ] - [ 0.0002007100000000, -0.0016155400000000, -0.0034150100000000 ] - [ -0.0019379900000000, 0.0002195400000000, -0.0019582000000000 ] - [ 0.0050460800000000, -0.0026214700000000, 0.0011517300000000 ] - [ 0.0026564800000000, 0.0015875200000000, 0.0018104700000000 ] - [ 0.0024525900000000, 0.0006432500000000, -0.0006408200000000 ] - [ -0.0003505800000000, 0.0002842000000000, 0.0008198700000000 ] - [ 0.0011783000000000, 0.0004079800000000, -0.0012588900000000 ] - [ -0.0016397000000000, 0.0011666200000000, 0.0002397600000000 ] - [ -0.0349313800000000, 0.0380610500000000, 0.0325010400000000 ] - [ 0.0014264300000000, -0.0004188700000000, 0.0000719700000000 ] - [ 0.0022692300000000, 0.0003305200000000, -0.0023007500000000 ] - [ -0.0014253200000000, -0.0008592600000000, 0.0008485700000000 ] - [ -0.0007636900000000, 0.0007855900000000, 0.0005269500000000 ] - [ 0.0009276700000000, 0.0009234100000000, -0.0013515600000000 ] - [ -0.0010977100000000, -0.0011974800000000, -0.0012276400000000 ] - [ -0.0004098100000000, 0.0001576800000000, -0.0004890400000000 ] - [ -0.0008383400000000, 0.0002145600000000, -0.0006773700000000 ] - [ 0.0000978300000000, -0.0003797400000000, -0.0003938700000000 ] - [ -0.0022511400000000, 0.0000302800000000, -0.0030133100000000 ] - [ 0.0018630400000000, -0.0003778400000000, -0.0030675700000000 ] - [ -0.0005105200000000, 0.0004456900000000, -0.0001787800000000 ] - [ -0.0002545600000000, 0.0005879300000000, -0.0000282200000000 ] - [ 0.0000004700000000, 0.0008280500000000, -0.0012604700000000 ] - [ -0.0009298600000000, 0.0004799700000000, -0.0010760000000000 ] - [ 0.0147526800000000, 0.0632308100000000, 0.1342410100000000 ] - [ 0.0008843100000000, 0.0004321700000000, 0.0002872000000000 ] - [ 0.0014642400000000, -0.0009047900000000, -0.0028800100000000 ] - [ 0.0008986400000000, 0.0007453200000000, 0.0033196800000000 ] - [ 0.0005260500000000, 0.0002490400000000, 0.0014371100000000 ] - [ 0.0002860200000000, -0.0009898700000000, -0.0004533000000000 ] - [ 0.0008782900000000, -0.0006033500000000, -0.0002747700000000 ] - [ -0.0018778000000000, 0.0004630900000000, 0.0010941800000000 ] - [ -0.0667630000000000, -0.0664333800000000, 0.1319076800000000 ] - [ 0.0014593700000000, -0.0001290700000000, -0.0004307600000000 ] - [ 0.0027605800000000, -0.0008626700000000, -0.0041268800000000 ] - [ -0.0010480000000000, 0.0007730100000000, 0.0007340100000000 ] - [ -0.0012860700000000, -0.0006852600000000, 0.0006375800000000 ] - [ 0.0008871800000000, 0.0009671800000000, -0.0012183600000000 ] - [ 0.0014382200000000, 0.0017054400000000, -0.0031044100000000 ] - [ -0.0006967900000000, 0.0004381600000000, 0.0003527500000000 ] - [ -0.0042900300000000, -0.0037202700000000, -0.0007094000000000 ] - [ 0.0010874900000000, -0.0001777800000000, -0.0016853100000000 ] - [ 0.0015467900000000, -0.0008454800000000, -0.0015128600000000 ] - [ -0.0026735600000000, 0.0002536500000000, 0.0013478700000000 ] - [ 0.0040033700000000, 0.0103430100000000, 0.0109005000000000 ] - [ 0.0013034800000000, -0.0010179400000000, 0.0000411000000000 ] - [ 0.0012042800000000, -0.0005996500000000, 0.0009564700000000 ] - [ -0.0021378100000000, 0.0029468000000000, 0.0023279500000000 ] - [ 0.0067982400000000, 0.0084433400000000, -0.0113047500000000 ] - [ 0.0001571900000000, -0.0008448800000000, -0.0000309600000000 ] - [ 0.0005056200000000, 0.0075471700000000, -0.0041833700000000 ] - [ 0.0003048200000000, 0.0001338300000000, 0.0000576500000000 ] - [ -0.0005945600000000, -0.0001824200000000, -0.0006709600000000 ] - [ 0.0002884600000000, 0.0017111300000000, -0.0027269100000000 ] - [ 0.0008220500000000, -0.0000867100000000, -0.0002452700000000 ] - [ -0.0010072700000000, 0.0001796200000000, 0.0006673700000000 ] - [ 0.0143939700000000, 0.0035282000000000, 0.0031852300000000 ] - [ 0.0032518000000000, -0.0018882800000000, 0.0011253900000000 ] - [ 0.0005734600000000, 0.0024490300000000, -0.0040023500000000 ] - [ 0.0001938800000000, 0.0001056200000000, -0.0016221500000000 ] - [ 0.0023077900000000, -0.0006658300000000, 0.0012584800000000 ] - [ -0.1160033200000000, -0.0127350700000000, 0.0301369400000000 ] - [ -0.0026650300000000, 0.0000780700000000, 0.0019293400000000 ] - [ 0.0030175000000000, -0.0006782900000000, -0.0015462400000000 ] - [ 0.0008232100000000, 0.0006259200000000, -0.0007872800000000 ] - [ -0.0004431500000000, 0.0002646200000000, 0.0003467900000000 ] - [ 0.0012389700000000, -0.0002587400000000, -0.0013672200000000 ] - [ -0.0042847100000000, -0.0025127900000000, -0.0037351600000000 ] - [ -0.0019367600000000, -0.0017045300000000, 0.0022719200000000 ] - [ 0.0002954500000000, -0.0000728600000000, 0.0000342700000000 ] - [ -0.0042606800000000, -0.0016983900000000, 0.0013637200000000 ] - [ 0.0035363900000000, -0.0033727100000000, -0.0044082300000000 ] - [ 0.2242960400000000, -0.0262749300000000, -0.3458877200000000 ] - [ -0.0033191100000000, 0.0004774900000000, 0.0010840400000000 ] - [ -0.0045055400000000, 0.0005870400000000, 0.0068643400000000 ] - [ 0.0022026700000000, 0.0005671700000000, -0.0005832000000000 ] - [ 0.0012081700000000, -0.0006252400000000, -0.0029279200000000 ] - [ -0.0000939200000000, -0.0010057200000000, 0.0002433800000000 ] - [ 0.0008476600000000, 0.0016236100000000, 0.0015955200000000 ] - [ -0.0014278800000000, -0.0005585900000000, 0.0033753700000000 ] - [ -0.0015030600000000, -0.0020079500000000, 0.0085703800000000 ] - [ 0.0018765100000000, -0.0005259400000000, -0.0004426900000000 ] - [ -0.0397232000000000, -0.0364801700000000, 0.0060683900000000 ] - [ -0.0017754100000000, 0.0012635000000000, -0.0006650600000000 ] - [ -0.0029194200000000, 0.0007008000000000, 0.0003724400000000 ] - [ 0.0019546600000000, -0.0010003800000000, -0.0024001400000000 ] - [ 0.0006101400000000, -0.0007162400000000, -0.0001021300000000 ] - [ -0.0018874500000000, -0.0000944900000000, 0.0031739900000000 ] - [ -0.0019036700000000, 0.0025116200000000, 0.0056787700000000 ] - [ 0.0027188600000000, 0.0006272000000000, -0.0008918900000000 ] - [ -0.0002529500000000, -0.0000919300000000, 0.0003752000000000 ] - [ 0.0024028700000000, -0.0009946600000000, -0.0007953000000000 ] - [ -0.0129411900000000, 0.0210133000000000, 0.0053173400000000 ] - [ -0.0020588300000000, -0.0021438600000000, -0.0002454300000000 ] - [ 0.0054321100000000, 0.0178591300000000, -0.0078209100000000 ] - [ -0.0014098500000000, 0.0001916100000000, 0.0001677500000000 ] - [ -0.0007476900000000, -0.0007851000000000, 0.0026953700000000 ] - [ 0.0025589300000000, 0.0037268700000000, 0.0044125800000000 ] - [ -0.0002957500000000, -0.0005552000000000, -0.0076403700000000 ] - [ -0.0056504200000000, 0.0058085700000000, -0.0001472600000000 ] - [ -0.0032109800000000, 0.0009184100000000, 0.0042266400000000 ] - [ 0.0012467000000000, -0.0014323300000000, -0.0005675200000000 ] - [ -0.0008778700000000, 0.0008552000000000, 0.0012989700000000 ] - [ 0.0004787400000000, 0.0007013700000000, 0.0002643000000000 ] - [ 0.0156801600000000, -0.0021662300000000, 0.0180426200000000 ] - [ -0.0020557100000000, 0.0016671900000000, 0.0036591700000000 ] - [ -0.0068498900000000, 0.0009493400000000, 0.0039502600000000 ] - [ 0.0058923500000000, 0.0004541500000000, -0.0142127600000000 ] - [ -0.0007524900000000, -0.0024627400000000, -0.0011738200000000 ] - [ -0.0005486900000000, -0.0011091100000000, -0.0009078100000000 ] - [ 0.0076651400000000, 0.0003931600000000, -0.0076104200000000 ] - [ -0.0012063000000000, 0.0000244400000000, -0.0001670500000000 ] - [ -0.0015215500000000, 0.0009370400000000, 0.0033417600000000 ] - [ 0.0055780100000000, -0.0050522600000000, 0.0160708300000000 ] - [ -0.0012536800000000, -0.0001207200000000, -0.0050034200000000 ] - [ -0.0157663700000000, -0.0102450800000000, 0.0053549700000000 ] - [ -0.0037604400000000, -0.0036478100000000, 0.0046474700000000 ] - [ 0.0016663000000000, 0.0001553700000000, -0.0000598400000000 ]- atom: 91 displacement: [ 0.0050436217710434, 0.0000000000000000, -0.0086349220859633 ] forces: - [ -0.0008022200000000, 0.0050501000000000, -0.0010522000000000 ] - [ -0.0010020500000000, -0.0006467600000000, 0.0003468900000000 ] - [ -0.0023765300000000, -0.0004401800000000, 0.0017324200000000 ] - [ 0.0067860800000000, -0.0000379500000000, -0.0011828000000000 ] - [ 0.0024952000000000, -0.0030500000000000, -0.0020423400000000 ] - [ -0.0023162100000000, -0.0003900200000000, 0.0022280000000000 ] - [ -0.0018015800000000, 0.0010134900000000, 0.0025280300000000 ] - [ 0.0005921600000000, -0.0001769200000000, 0.0000031400000000 ] - [ -0.0009267800000000, -0.0010312700000000, -0.0009214300000000 ] - [ 0.0022300900000000, 0.0010452700000000, -0.0063024400000000 ] - [ -0.0019993800000000, 0.0033619000000000, 0.0040495900000000 ] - [ -0.0011801100000000, -0.0010852400000000, 0.0000355000000000 ] - [ -0.0024018700000000, 0.0035658800000000, 0.0035970700000000 ] - [ -0.0006695900000000, 0.0006126800000000, -0.0002603400000000 ] - [ 0.0009959900000000, 0.0002014700000000, -0.0002018400000000 ] - [ 0.0002871500000000, 0.0007591900000000, 0.0020110900000000 ] - [ 0.0012729800000000, -0.0005198200000000, -0.0006478400000000 ] - [ -0.0000109800000000, -0.0002040300000000, 0.0003087000000000 ] - [ -0.0013947700000000, 0.0018927900000000, 0.0038612400000000 ] - [ 0.0007633100000000, 0.0000587600000000, 0.0024056300000000 ] - [ -0.0061960700000000, 0.0023619500000000, -0.0007336500000000 ] - [ -0.0038549400000000, -0.0018827900000000, -0.0013533400000000 ] - [ -0.0012702400000000, -0.0009298200000000, 0.0001923200000000 ] - [ 0.0015251800000000, -0.0005647300000000, -0.0012718400000000 ] - [ -0.0011753100000000, -0.0005012300000000, 0.0002833700000000 ] - [ 0.0016456300000000, -0.0012547800000000, -0.0012203900000000 ] - [ 0.0346619200000000, -0.0380734100000000, -0.0311468700000000 ] - [ -0.0014351100000000, 0.0003275600000000, 0.0009056700000000 ] - [ -0.0022748200000000, -0.0002490100000000, 0.0032709100000000 ] - [ 0.0014232200000000, 0.0009532600000000, 0.0001250000000000 ] - [ 0.0007688300000000, -0.0006951800000000, -0.0015003300000000 ] - [ -0.0009186200000000, -0.0008231100000000, 0.0003788700000000 ] - [ 0.0000151200000000, 0.0013909000000000, 0.0015595700000000 ] - [ -0.0006658500000000, 0.0000265700000000, 0.0008080200000000 ] - [ 0.0003126400000000, -0.0010617500000000, 0.0000534900000000 ] - [ -0.0006283900000000, -0.0004676900000000, -0.0002260000000000 ] - [ 0.0027778200000000, 0.0008208300000000, 0.0036418800000000 ] - [ -0.0013285400000000, 0.0012188300000000, 0.0036893100000000 ] - [ -0.0000224900000000, 0.0004101000000000, -0.0004336300000000 ] - [ -0.0002704100000000, 0.0002614200000000, -0.0005916700000000 ] - [ -0.0002625800000000, 0.0001617200000000, 0.0002878200000000 ] - [ 0.0006730000000000, 0.0005109100000000, 0.0001012300000000 ] - [ -0.0123533400000000, -0.0593691800000000, -0.1301215000000000 ] - [ -0.0006234800000000, 0.0005530100000000, 0.0006863900000000 ] - [ -0.0012095900000000, -0.0000812500000000, 0.0038441900000000 ] - [ -0.0006493000000000, -0.0017386900000000, -0.0023629300000000 ] - [ -0.0007824700000000, -0.0012367700000000, -0.0024089000000000 ] - [ -0.0005448200000000, 0.0000049600000000, -0.0005119100000000 ] - [ -0.0010792900000000, -0.0001048400000000, 0.0004279600000000 ] - [ 0.0016774900000000, -0.0011742500000000, -0.0009435400000000 ] - [ 0.0710058200000000, 0.0718469500000000, -0.1394685300000000 ] - [ -0.0012648200000000, -0.0005814100000000, 0.0002775300000000 ] - [ -0.0025446000000000, 0.0015618400000000, 0.0039457900000000 ] - [ 0.0012525300000000, -0.0000657200000000, -0.0008904400000000 ] - [ 0.0010895000000000, 0.0014000800000000, -0.0004818300000000 ] - [ -0.0010853000000000, -0.0002567800000000, 0.0013720200000000 ] - [ -0.0010746600000000, -0.0010348800000000, 0.0036463200000000 ] - [ 0.0010700200000000, 0.0002220000000000, 0.0002139800000000 ] - [ 0.0039455800000000, 0.0044011600000000, 0.0001561300000000 ] - [ -0.0014538400000000, 0.0008331900000000, 0.0011178400000000 ] - [ -0.0019167800000000, 0.0001896500000000, 0.0009383700000000 ] - [ 0.0023087200000000, -0.0009189400000000, -0.0019314400000000 ] - [ -0.0036378100000000, -0.0110197800000000, -0.0103409800000000 ] - [ -0.0009378100000000, 0.0003614100000000, 0.0005310600000000 ] - [ -0.0012654800000000, 0.0001331600000000, -0.0004437900000000 ] - [ 0.0020620100000000, -0.0034185900000000, -0.0017908500000000 ] - [ -0.0066702900000000, -0.0088718000000000, 0.0107198000000000 ] - [ -0.0000998900000000, 0.0003787300000000, -0.0004864400000000 ] - [ -0.0004128000000000, -0.0069727000000000, 0.0036050700000000 ] - [ -0.0002398700000000, 0.0003331000000000, -0.0005731100000000 ] - [ 0.0005300800000000, 0.0006486000000000, 0.0011929500000000 ] - [ -0.0003498200000000, -0.0012452000000000, 0.0032405300000000 ] - [ -0.0018979200000000, -0.0000933700000000, 0.0005586900000000 ] - [ -0.0000725700000000, -0.0003652400000000, -0.0003478500000000 ] - [ -0.0133478800000000, -0.0037409500000000, -0.0035124100000000 ] - [ -0.0021898400000000, 0.0017153300000000, -0.0014397100000000 ] - [ 0.0004748200000000, -0.0022682800000000, 0.0036637800000000 ] - [ 0.0008901100000000, 0.0000816700000000, 0.0013067400000000 ] - [ -0.0017830900000000, -0.0001808600000000, -0.0006439000000000 ] - [ 0.1142179100000000, 0.0115599300000000, -0.0306007600000000 ] - [ 0.0028559400000000, 0.0001884000000000, -0.0022995500000000 ] - [ -0.0028202800000000, 0.0009391200000000, 0.0011810800000000 ] - [ -0.0010021100000000, -0.0003530500000000, 0.0011542500000000 ] - [ 0.0002629700000000, 0.0000015000000000, 0.0000211200000000 ] - [ -0.0010617200000000, -0.0000092800000000, 0.0009972400000000 ] - [ 0.0044965400000000, 0.0022510000000000, 0.0033963300000000 ] - [ 0.0017602900000000, 0.0014457100000000, -0.0019075200000000 ] - [ -0.0004769000000000, -0.0001932600000000, 0.0003350900000000 ] - [ 0.0028419000000000, 0.0000569400000000, -0.0004601200000000 ] - [ -0.0049464000000000, 0.0017142600000000, 0.0053279900000000 ] - [ -0.2296812900000000, 0.0178922400000000, 0.3524924400000000 ] - [ 0.0018508200000000, 0.0001396700000000, 0.0003204300000000 ] - [ 0.0030219000000000, -0.0011842500000000, -0.0054392900000000 ] - [ -0.0036769300000000, -0.0011872100000000, 0.0019968500000000 ] - [ 0.0002594000000000, 0.0000058600000000, 0.0015217100000000 ] - [ 0.0015656600000000, 0.0003796100000000, -0.0016571200000000 ] - [ -0.0018353700000000, -0.0022306000000000, -0.0009861700000000 ] - [ 0.0004325800000000, -0.0000376800000000, -0.0027507100000000 ] - [ 0.0025130700000000, 0.0014184000000000, -0.0090813600000000 ] - [ -0.0008958800000000, -0.0000719200000000, -0.0001802400000000 ] - [ 0.0408263200000000, 0.0373498500000000, -0.0068540500000000 ] - [ 0.0027770500000000, -0.0006698000000000, 0.0000423800000000 ] - [ 0.0019279100000000, -0.0001080200000000, 0.0002553300000000 ] - [ -0.0029351200000000, 0.0016101100000000, 0.0030275900000000 ] - [ -0.0020199700000000, 0.0023738900000000, 0.0009950000000000 ] - [ 0.0004570700000000, 0.0017380000000000, -0.0022726100000000 ] - [ 0.0033359600000000, -0.0008507200000000, -0.0065644200000000 ] - [ -0.0013048100000000, 0.0010227900000000, -0.0000094300000000 ] - [ 0.0017295900000000, 0.0007079800000000, -0.0017810100000000 ] - [ -0.0009346700000000, 0.0016092800000000, -0.0006037000000000 ] - [ 0.0143294000000000, -0.0227601400000000, -0.0060870400000000 ] - [ 0.0034896100000000, 0.0004988200000000, -0.0006576300000000 ] - [ -0.0051280800000000, -0.0174297100000000, 0.0076394600000000 ] - [ 0.0016825900000000, 0.0002730200000000, -0.0003165100000000 ] - [ 0.0004904600000000, 0.0012435800000000, -0.0025375000000000 ] - [ -0.0028473600000000, -0.0032901000000000, -0.0042710100000000 ] - [ 0.0000097700000000, 0.0000920200000000, 0.0078155900000000 ] - [ 0.0053669700000000, -0.0062520600000000, 0.0002613000000000 ] - [ 0.0034830000000000, -0.0013943300000000, -0.0043647500000000 ] - [ -0.0009700900000000, 0.0009735400000000, 0.0004237000000000 ] - [ 0.0005687000000000, 0.0010262900000000, -0.0020165100000000 ] - [ -0.0008018000000000, 0.0011929800000000, -0.0009771700000000 ] - [ -0.0152866600000000, 0.0040936900000000, -0.0173533800000000 ] - [ 0.0023604900000000, 0.0002336800000000, -0.0029470600000000 ] - [ 0.0071879500000000, -0.0028532100000000, -0.0032334500000000 ] - [ -0.0055334500000000, -0.0023447800000000, 0.0150224100000000 ] - [ 0.0004241800000000, 0.0005815000000000, 0.0004671900000000 ] - [ 0.0002331000000000, -0.0007877400000000, 0.0001892500000000 ] - [ -0.0071846800000000, -0.0001335600000000, 0.0071794900000000 ] - [ 0.0016285200000000, 0.0002403100000000, -0.0001879600000000 ] - [ 0.0011104700000000, -0.0006677800000000, -0.0029896900000000 ] - [ -0.0059994000000000, 0.0053647800000000, -0.0157249900000000 ] - [ 0.0008114000000000, -0.0001412700000000, 0.0053652200000000 ] - [ 0.0152391100000000, 0.0099314000000000, -0.0050904300000000 ] - [ 0.0041759900000000, 0.0033777900000000, -0.0049932400000000 ] - [ -0.0012418100000000, -0.0004227100000000, -0.0002929600000000 ]- atom: 97 displacement: [ 0.0099999999206514, 0.0000000000000000, 0.0000012597509720 ] forces: - [ 0.0017322300000000, 0.0001495200000000, -0.0004203500000000 ] - [ -0.0011379000000000, -0.0000183700000000, 0.0005220500000000 ] - [ 0.0005017200000000, 0.0001051800000000, 0.0015682300000000 ] - [ -0.0004111900000000, -0.0001343400000000, -0.0014922200000000 ] - [ 0.0035050700000000, -0.0017545700000000, -0.0006414800000000 ] - [ -0.0010896500000000, 0.0001184200000000, 0.0001124600000000 ] - [ -0.0084971300000000, -0.0017520400000000, 0.0059980700000000 ] - [ -0.0048340900000000, 0.0010937300000000, -0.0026249100000000 ] - [ 0.0005773500000000, -0.0001147300000000, 0.0022817200000000 ] - [ -0.0028505700000000, -0.0005336000000000, -0.0046888700000000 ] - [ -0.0010769800000000, -0.0005882500000000, 0.0002839400000000 ] - [ 0.0002163400000000, -0.0007673500000000, 0.0003026000000000 ] - [ -0.0068350700000000, -0.0020236200000000, -0.0024115200000000 ] - [ -0.0058059000000000, 0.0034164300000000, 0.0025251400000000 ] - [ 0.0040241600000000, -0.0009340600000000, -0.0011945200000000 ] - [ -0.0008252100000000, 0.0007332600000000, -0.0004731000000000 ] - [ 0.0075410900000000, 0.0079163500000000, -0.0010000200000000 ] - [ -0.0020399200000000, -0.0009315600000000, -0.0002766100000000 ] - [ -0.0011408400000000, -0.0090300600000000, 0.0045038200000000 ] - [ -0.0039409600000000, 0.0017048500000000, -0.0005747500000000 ] - [ 0.0002339300000000, -0.0000711400000000, 0.0010418000000000 ] - [ -0.0012868900000000, -0.0003415800000000, -0.0003428300000000 ] - [ 0.0012693200000000, 0.0001106900000000, 0.0021457000000000 ] - [ -0.0012337200000000, 0.0003017900000000, -0.0026219400000000 ] - [ 0.0009744300000000, -0.0003714000000000, 0.0005234800000000 ] - [ -0.0004368600000000, 0.0001554700000000, -0.0017266900000000 ] - [ 0.0005391200000000, -0.0003863600000000, -0.0000763900000000 ] - [ -0.0004175800000000, -0.0001842000000000, 0.0008606000000000 ] - [ -0.0035553100000000, -0.0026568300000000, 0.0023042600000000 ] - [ -0.0001804600000000, 0.0037529900000000, -0.0014127300000000 ] - [ 0.0034471400000000, -0.0153336400000000, 0.0037892800000000 ] - [ -0.0024893100000000, 0.0015581200000000, -0.0001961700000000 ] - [ 0.1982242700000000, -0.0816677700000000, 0.0518082900000000 ] - [ -0.0038783500000000, 0.0008252300000000, 0.0000957700000000 ] - [ -0.0008134100000000, 0.0002614700000000, 0.0008142100000000 ] - [ 0.0017703100000000, -0.0013425100000000, -0.0014021400000000 ] - [ 0.0031141700000000, 0.0008946700000000, 0.0002653400000000 ] - [ -0.0017212000000000, 0.0002379900000000, 0.0001088100000000 ] - [ -0.0058010700000000, 0.0026072100000000, -0.0032914200000000 ] - [ -0.0098157200000000, -0.0045640900000000, 0.0032589700000000 ] - [ 0.0028532800000000, 0.0024238200000000, 0.0049614200000000 ] - [ -0.0016940200000000, 0.0001697200000000, -0.0024862300000000 ] - [ 0.0024708300000000, -0.0020514500000000, 0.0005478300000000 ] - [ -0.0007828100000000, 0.0011924800000000, 0.0007655800000000 ] - [ -0.0000533200000000, -0.0008918900000000, 0.0015899500000000 ] - [ 0.0001134100000000, -0.0000787800000000, -0.0006828500000000 ] - [ 0.0022816800000000, -0.0005255100000000, 0.0176707300000000 ] - [ -0.0022914400000000, -0.0005751100000000, -0.0022092400000000 ] - [ -0.0001702600000000, -0.0001849900000000, 0.0020243100000000 ] - [ -0.0005678200000000, -0.0001324400000000, -0.0012045800000000 ] - [ 0.0003881700000000, -0.0004074800000000, -0.0006672700000000 ] - [ -0.0000438400000000, -0.0004270200000000, 0.0002366300000000 ] - [ -0.0006952200000000, -0.0000212100000000, -0.0000479100000000 ] - [ 0.0002661000000000, 0.0009251200000000, -0.0001398300000000 ] - [ 0.1290959100000000, 0.0798366700000000, -0.0048874300000000 ] - [ -0.0030905100000000, -0.0002283400000000, 0.0000877300000000 ] - [ -0.0004898000000000, 0.0036256700000000, 0.0013445000000000 ] - [ -0.0006507400000000, -0.0009578900000000, -0.0004300300000000 ] - [ 0.0423201200000000, -0.0132227400000000, -0.0109530800000000 ] - [ -0.0024748700000000, 0.0004156300000000, -0.0001601300000000 ] - [ -0.0000262000000000, -0.0003341600000000, 0.0009891800000000 ] - [ -0.0006749700000000, -0.0003127200000000, -0.0012239900000000 ] - [ 0.0046638900000000, -0.0005874500000000, -0.0006125200000000 ] - [ -0.0011512500000000, -0.0000918600000000, 0.0003953700000000 ] - [ -0.0001343400000000, -0.0008182200000000, 0.0023330800000000 ] - [ -0.0009935600000000, 0.0001263000000000, -0.0013114800000000 ] - [ -0.0006258400000000, -0.0008844600000000, 0.0002625500000000 ] - [ 0.0016592600000000, 0.0007506000000000, -0.0004417100000000 ] - [ -0.0005390800000000, 0.0009292600000000, -0.0008166400000000 ] - [ -0.0005495400000000, -0.0006223500000000, -0.0000803000000000 ] - [ 0.0381232300000000, -0.0011520800000000, 0.0090675300000000 ] - [ -0.0021559800000000, -0.0000234100000000, -0.0002836700000000 ] - [ -0.0001250000000000, -0.0003549900000000, 0.0016830000000000 ] - [ -0.0012579400000000, -0.0001753300000000, -0.0011719100000000 ] - [ 0.0017503200000000, 0.0000850500000000, 0.0013171800000000 ] - [ -0.0002533100000000, -0.0003807600000000, -0.0011300100000000 ] - [ 0.0022554800000000, -0.0003876800000000, -0.0001603100000000 ] - [ -0.0007368300000000, -0.0001583000000000, -0.0003942200000000 ] - [ 0.0002881400000000, -0.0005215400000000, 0.0013529600000000 ] - [ -0.0002028900000000, -0.0007107600000000, -0.0005960800000000 ] - [ 0.0014224200000000, 0.0003452300000000, -0.0006225200000000 ] - [ -0.0008350000000000, -0.0003356000000000, -0.0002218400000000 ] - [ -0.0027747200000000, 0.0010499800000000, 0.0023475200000000 ] - [ -0.0020608100000000, -0.0025211100000000, -0.0036066800000000 ] - [ 0.0005950700000000, 0.0002955100000000, 0.0002854300000000 ] - [ -0.0001837300000000, -0.0002624000000000, -0.0004336700000000 ] - [ 0.0011189200000000, 0.0029614800000000, -0.0061104300000000 ] - [ -0.0011283100000000, -0.0001263500000000, 0.0009499900000000 ] - [ -0.0011690300000000, -0.0011222000000000, -0.0031522200000000 ] - [ 0.0010035100000000, -0.0013282700000000, 0.0047535300000000 ] - [ -0.0004198200000000, 0.0013920400000000, 0.0024431900000000 ] - [ -0.0004794900000000, 0.0002670300000000, -0.0002261000000000 ] - [ 0.0021533200000000, 0.0022524600000000, -0.0004089600000000 ] - [ -0.0033498100000000, -0.0042533500000000, 0.0020189800000000 ] - [ 0.0224014700000000, 0.0283511100000000, -0.0347377100000000 ] - [ 0.0071309300000000, -0.0006234000000000, 0.0003869400000000 ] - [ -0.4457195100000000, 0.0124528800000000, -0.0565648400000000 ] - [ 0.0042682500000000, -0.0001937000000000, 0.0009389300000000 ] - [ 0.0004031600000000, -0.0011390300000000, 0.0004171300000000 ] - [ 0.0019478600000000, 0.0006160200000000, 0.0000418500000000 ] - [ -0.0009214100000000, 0.0012567300000000, -0.0004001100000000 ] - [ 0.0014150100000000, -0.0001090300000000, 0.0004112000000000 ] - [ -0.0005755800000000, 0.0003015400000000, -0.0028586300000000 ] - [ 0.0007534900000000, 0.0003161100000000, 0.0024326300000000 ] - [ -0.0146972500000000, 0.0052459100000000, 0.0025471200000000 ] - [ 0.0025699600000000, 0.0008055600000000, 0.0002751200000000 ] - [ 0.0146383700000000, 0.0089742700000000, -0.0040102100000000 ] - [ 0.0081849100000000, -0.0043596700000000, 0.0019171900000000 ] - [ -0.0025127400000000, 0.0019429700000000, -0.0049408300000000 ] - [ 0.0018069700000000, -0.0002063900000000, 0.0015298300000000 ] - [ -0.0004326900000000, -0.0008306100000000, -0.0002915100000000 ] - [ 0.0015035900000000, -0.0004670300000000, -0.0007107800000000 ] - [ 0.0078964400000000, 0.0171477300000000, 0.0316411300000000 ] - [ 0.0047053600000000, -0.0004223500000000, -0.0026374600000000 ] - [ -0.0031121900000000, -0.0010526500000000, -0.0012945400000000 ] - [ 0.0016121800000000, 0.0006608900000000, 0.0010396400000000 ] - [ -0.0003956800000000, -0.0105699800000000, -0.0135273000000000 ] - [ 0.0046956200000000, 0.0007596700000000, 0.0028710700000000 ] - [ 0.0017249600000000, -0.0013117500000000, -0.0023104700000000 ] - [ -0.0004845000000000, 0.0025358500000000, 0.0029222300000000 ] - [ 0.0174881500000000, -0.0223439000000000, -0.0140202600000000 ] - [ 0.0083555700000000, 0.0040878400000000, 0.0027184900000000 ] - [ -0.0078938200000000, 0.0032216800000000, 0.0032063800000000 ] - [ 0.0030941300000000, 0.0005613300000000, 0.0003753600000000 ] - [ -0.0002553700000000, -0.0008218600000000, -0.0018056000000000 ] - [ 0.0009907700000000, -0.0006736000000000, 0.0022971900000000 ] - [ -0.0066885900000000, -0.0005032600000000, -0.0043240500000000 ] - [ 0.0013679300000000, -0.0013434000000000, 0.0010803600000000 ] - [ 0.0001642000000000, -0.0056598700000000, 0.0041063000000000 ] - [ 0.0037156700000000, 0.0022261000000000, -0.0028774700000000 ] - [ -0.0069028700000000, 0.0007963400000000, -0.0070725200000000 ] - [ 0.0024274000000000, 0.0000339500000000, 0.0016396500000000 ] - [ -0.0008351000000000, 0.0023600300000000, -0.0020990800000000 ] - [ 0.0015002400000000, -0.0002877200000000, 0.0013295800000000 ] - [ 0.0050427200000000, -0.0000206500000000, -0.0043265000000000 ] - [ 0.0040756800000000, -0.0040298200000000, 0.0238843200000000 ]- atom: 97 displacement: [ -0.0099999999206514, 0.0000000000000000, -0.0000012597509720 ] forces: - [ -0.0020475800000000, -0.0000642700000000, 0.0005353100000000 ] - [ 0.0008221900000000, 0.0001029400000000, -0.0004026100000000 ] - [ -0.0001928000000000, -0.0000212300000000, -0.0016901800000000 ] - [ 0.0007288300000000, 0.0002167000000000, 0.0013677500000000 ] - [ -0.0031880600000000, 0.0016741400000000, 0.0005223600000000 ] - [ 0.0014047800000000, -0.0001978700000000, -0.0002292000000000 ] - [ 0.0082302700000000, 0.0016478100000000, -0.0058987400000000 ] - [ 0.0044962800000000, -0.0011863400000000, 0.0027192900000000 ] - [ 0.0006396600000000, -0.0011733100000000, -0.0028744700000000 ] - [ 0.0040527200000000, -0.0007596100000000, 0.0040920600000000 ] - [ -0.0001320500000000, -0.0007014800000000, 0.0003084000000000 ] - [ -0.0014242500000000, -0.0005210200000000, 0.0002948000000000 ] - [ 0.0056413800000000, 0.0033071500000000, 0.0030437800000000 ] - [ 0.0045575500000000, -0.0021103800000000, -0.0019038600000000 ] - [ -0.0028140500000000, 0.0022304100000000, 0.0006032400000000 ] - [ 0.0020337000000000, 0.0005580000000000, -0.0001224500000000 ] - [ -0.0063719600000000, -0.0076430400000000, 0.0005572500000000 ] - [ 0.0032187500000000, 0.0012129800000000, -0.0001688600000000 ] - [ 0.0000041400000000, 0.0094367400000000, -0.0041021300000000 ] - [ 0.0027482700000000, -0.0014150100000000, 0.0010179900000000 ] - [ -0.0014127200000000, -0.0002107800000000, -0.0005958400000000 ] - [ 0.0001082900000000, 0.0000603000000000, 0.0007918100000000 ] - [ -0.0000919000000000, -0.0003937900000000, -0.0026003800000000 ] - [ 0.0024181300000000, -0.0005854100000000, 0.0021800700000000 ] - [ -0.0009834400000000, 0.0002750200000000, -0.0014912900000000 ] - [ 0.0004414600000000, -0.0002491500000000, 0.0007472400000000 ] - [ -0.0005438900000000, 0.0002947900000000, 0.0010498800000000 ] - [ 0.0004131100000000, 0.0000944400000000, 0.0001161300000000 ] - [ 0.0035784600000000, 0.0027607800000000, -0.0013384600000000 ] - [ 0.0001810000000000, -0.0036326000000000, 0.0023699200000000 ] - [ -0.0034555900000000, 0.0154405500000000, -0.0047830500000000 ] - [ 0.0024857700000000, -0.0014613200000000, -0.0007767600000000 ] - [ -0.2106111400000000, 0.0880007700000000, -0.0558532300000000 ] - [ 0.0027968600000000, -0.0006452700000000, 0.0002252000000000 ] - [ 0.0002885900000000, -0.0011123200000000, -0.0014400200000000 ] - [ -0.0022934600000000, 0.0005018200000000, 0.0008006400000000 ] - [ -0.0025771500000000, -0.0000583400000000, 0.0003606300000000 ] - [ 0.0022526900000000, 0.0006140800000000, 0.0005099500000000 ] - [ 0.0052343700000000, -0.0017472700000000, 0.0026679200000000 ] - [ 0.0093336500000000, 0.0054128000000000, -0.0039063100000000 ] - [ -0.0031228800000000, -0.0014318600000000, -0.0059308300000000 ] - [ 0.0014345000000000, 0.0008149000000000, 0.0015125800000000 ] - [ -0.0022255600000000, 0.0030299600000000, 0.0004261600000000 ] - [ 0.0010399600000000, -0.0001999200000000, 0.0002118100000000 ] - [ 0.0003118500000000, -0.0000883800000000, -0.0006246800000000 ] - [ 0.0001500700000000, -0.0009004300000000, 0.0016512800000000 ] - [ -0.0025240100000000, -0.0004678400000000, -0.0185975400000000 ] - [ 0.0020301200000000, -0.0004167600000000, 0.0012409500000000 ] - [ -0.0000325700000000, -0.0005219100000000, -0.0018671200000000 ] - [ 0.0003686600000000, -0.0005772700000000, 0.0013561100000000 ] - [ -0.0001891500000000, -0.0003031200000000, 0.0005091200000000 ] - [ 0.0002423600000000, -0.0002830600000000, -0.0003866000000000 ] - [ 0.0008941200000000, 0.0007399600000000, -0.0001040600000000 ] - [ -0.0000629300000000, -0.0002091600000000, -0.0000116400000000 ] - [ -0.1232187100000000, -0.0733695400000000, 0.0043879600000000 ] - [ 0.0028877300000000, 0.0009300900000000, 0.0000724200000000 ] - [ 0.0008571900000000, -0.0029632600000000, -0.0007767500000000 ] - [ 0.0010229800000000, 0.0016183000000000, 0.0009983400000000 ] - [ -0.0430210200000000, 0.0148596500000000, 0.0111483800000000 ] - [ 0.0021050100000000, 0.0002433000000000, -0.0004056200000000 ] - [ -0.0003448200000000, -0.0003234300000000, -0.0015580400000000 ] - [ 0.0003066300000000, -0.0003454500000000, 0.0006539900000000 ] - [ -0.0042976000000000, -0.0000708900000000, 0.0011593100000000 ] - [ 0.0015173900000000, -0.0005683100000000, 0.0001814400000000 ] - [ 0.0000730700000000, 0.0003513900000000, -0.0018172600000000 ] - [ 0.0009299700000000, -0.0005908900000000, 0.0018264400000000 ] - [ 0.0006883800000000, 0.0004189600000000, -0.0007906700000000 ] - [ -0.0015917600000000, -0.0012286700000000, -0.0000605700000000 ] - [ 0.0005982400000000, -0.0004573300000000, 0.0003043500000000 ] - [ 0.0006132600000000, 0.0010911200000000, -0.0004332900000000 ] - [ -0.0383867500000000, 0.0021001200000000, -0.0100845700000000 ] - [ 0.0020949200000000, 0.0004887900000000, 0.0007993300000000 ] - [ -0.0009529700000000, 0.0001711500000000, -0.0013659300000000 ] - [ 0.0001823800000000, -0.0000080000000000, 0.0014915200000000 ] - [ -0.0006698700000000, -0.0002726100000000, -0.0016424400000000 ] - [ 0.0013330600000000, 0.0001965600000000, 0.0008147900000000 ] - [ -0.0011890900000000, 0.0005871500000000, -0.0001546200000000 ] - [ 0.0018159000000000, 0.0003469000000000, 0.0000742500000000 ] - [ 0.0002422800000000, -0.0003248800000000, -0.0007331800000000 ] - [ 0.0007267200000000, -0.0001378600000000, 0.0012150100000000 ] - [ -0.0012290000000000, -0.0000925300000000, 0.0002519700000000 ] - [ 0.0010155600000000, 0.0006038400000000, -0.0001446000000000 ] - [ 0.0025908200000000, -0.0007922900000000, -0.0019791400000000 ] - [ 0.0018829900000000, 0.0027827700000000, 0.0039732100000000 ] - [ -0.0004186200000000, -0.0005658500000000, -0.0006553300000000 ] - [ 0.0003650500000000, -0.0000020300000000, 0.0000631600000000 ] - [ -0.0012948900000000, -0.0032264400000000, 0.0064717100000000 ] - [ 0.0009480400000000, -0.0001443900000000, -0.0005792200000000 ] - [ -0.0002465700000000, -0.0005216800000000, 0.0040550000000000 ] - [ -0.0024290000000000, -0.0003168700000000, -0.0038457100000000 ] - [ -0.0010488600000000, -0.0007716800000000, -0.0010320500000000 ] - [ -0.0009950900000000, 0.0003460400000000, 0.0016261500000000 ] - [ -0.0036363800000000, -0.0028922000000000, 0.0018226000000000 ] - [ 0.0018439200000000, 0.0036061100000000, -0.0006098500000000 ] - [ -0.0208037800000000, -0.0287420300000000, 0.0333081700000000 ] - [ -0.0056406000000000, 0.0000167800000000, -0.0018005400000000 ] - [ 0.4504585800000000, -0.0268507400000000, 0.0631806500000000 ] - [ -0.0052561800000000, -0.0004001600000000, -0.0003192900000000 ] - [ 0.0005908600000000, 0.0005280400000000, -0.0010442100000000 ] - [ -0.0009582800000000, -0.0012191500000000, -0.0006664500000000 ] - [ 0.0019109100000000, -0.0006515400000000, -0.0002030300000000 ] - [ -0.0004242000000000, 0.0007075000000000, -0.0010427600000000 ] - [ -0.0004135500000000, 0.0002940600000000, 0.0034809000000000 ] - [ -0.0017464300000000, 0.0002802800000000, -0.0018082700000000 ] - [ 0.0132817700000000, -0.0036157700000000, -0.0016401400000000 ] - [ -0.0039893000000000, 0.0008399800000000, 0.0006252800000000 ] - [ -0.0133682300000000, -0.0073320800000000, 0.0030898700000000 ] - [ -0.0067145700000000, 0.0059843500000000, -0.0027928500000000 ] - [ 0.0040047200000000, -0.0013343500000000, 0.0035147400000000 ] - [ -0.0003349800000000, 0.0008263900000000, -0.0029315700000000 ] - [ 0.0018543000000000, -0.0008196600000000, -0.0006062300000000 ] - [ -0.0000828800000000, -0.0011841600000000, -0.0001939400000000 ] - [ -0.0076385700000000, -0.0166828400000000, -0.0319844100000000 ] - [ -0.0044125100000000, 0.0008956000000000, 0.0024675800000000 ] - [ 0.0028441600000000, 0.0015059100000000, 0.0014420900000000 ] - [ -0.0018872900000000, -0.0001995800000000, -0.0008896700000000 ] - [ 0.0000492900000000, 0.0100744000000000, 0.0136188900000000 ] - [ -0.0049734100000000, -0.0012200800000000, -0.0027397400000000 ] - [ -0.0014485100000000, 0.0008464700000000, 0.0021664600000000 ] - [ 0.0007519700000000, -0.0030036500000000, -0.0030714500000000 ] - [ -0.0178402400000000, 0.0243453100000000, 0.0132685900000000 ] - [ -0.0086789600000000, -0.0021682800000000, -0.0034429000000000 ] - [ 0.0082768100000000, -0.0012978200000000, -0.0025226900000000 ] - [ -0.0027730000000000, 0.0013266400000000, 0.0003353600000000 ] - [ 0.0005742500000000, -0.0010759800000000, 0.0025285900000000 ] - [ -0.0006728500000000, -0.0012250100000000, -0.0015776600000000 ] - [ 0.0063584000000000, -0.0013972700000000, 0.0036196100000000 ] - [ -0.0016896200000000, -0.0005514100000000, -0.0018059700000000 ] - [ 0.0002643300000000, 0.0059067200000000, -0.0044492000000000 ] - [ -0.0032952100000000, -0.0019622700000000, 0.0025229100000000 ] - [ 0.0065695900000000, -0.0004978600000000, 0.0074460200000000 ] - [ -0.0028479800000000, 0.0002298400000000, -0.0012743000000000 ] - [ 0.0004041800000000, -0.0026260300000000, 0.0024533200000000 ] - [ -0.0019216200000000, 0.0000166500000000, -0.0009811900000000 ] - [ -0.0046382000000000, -0.0002373100000000, 0.0039962100000000 ] - [ -0.0036990900000000, 0.0037774700000000, -0.0240886100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001288700000000, -0.0013859400000000, 0.0012899800000000 ] - [ -0.0006190200000000, -0.0001416800000000, 0.0004919300000000 ] - [ -0.0009364700000000, 0.0004081200000000, 0.0008687300000000 ] - [ 0.0003647500000000, 0.0003842800000000, -0.0000634100000000 ] - [ 0.0013911300000000, -0.0076909500000000, 0.0000131200000000 ] - [ 0.0000569000000000, -0.0007614800000000, -0.0000020400000000 ] - [ 0.0017467400000000, 0.0047783000000000, -0.0024875200000000 ] - [ -0.0014898900000000, 0.0037603400000000, -0.0018286900000000 ] - [ 0.0033386500000000, 0.0017274100000000, -0.0017060300000000 ] - [ 0.0004331000000000, -0.0004753500000000, -0.0007698300000000 ] - [ -0.0005668200000000, -0.0012302300000000, 0.0002672600000000 ] - [ -0.0005152000000000, -0.0012858400000000, -0.0001688300000000 ] - [ -0.0008502600000000, 0.0037666600000000, -0.0002787400000000 ] - [ 0.0025034200000000, 0.0038975800000000, 0.0015937200000000 ] - [ 0.0006548900000000, -0.0032113000000000, -0.0025819300000000 ] - [ 0.0005508300000000, 0.0002543200000000, -0.0004815800000000 ] - [ 0.0029607700000000, -0.0057007100000000, 0.0011730400000000 ] - [ -0.0002748100000000, -0.0004992600000000, -0.0003701200000000 ] - [ -0.0119462900000000, 0.0003300900000000, 0.0026806600000000 ] - [ 0.0002674200000000, 0.0005697100000000, 0.0003561000000000 ] - [ -0.0008925900000000, -0.0014478900000000, 0.0002897500000000 ] - [ -0.0007886100000000, -0.0007232900000000, 0.0003755500000000 ] - [ -0.0003113400000000, 0.0013411900000000, -0.0001081000000000 ] - [ 0.0008442400000000, 0.0003848100000000, 0.0005454100000000 ] - [ -0.0006569100000000, 0.0023215100000000, 0.0001181700000000 ] - [ 0.0002412100000000, 0.0007951800000000, -0.0008216900000000 ] - [ 0.0004038400000000, -0.0021918800000000, -0.0000039900000000 ] - [ 0.0002568500000000, -0.0010951700000000, 0.0005755700000000 ] - [ -0.0024728600000000, 0.0006805200000000, 0.0010224300000000 ] - [ 0.0036018200000000, 0.0001189100000000, 0.0011904600000000 ] - [ -0.0002725600000000, -0.0100681000000000, 0.0022540000000000 ] - [ 0.0005578800000000, -0.0004813200000000, -0.0005110000000000 ] - [ -0.0799361100000000, 0.0755326900000000, -0.0194403000000000 ] - [ -0.0012141400000000, 0.0013063700000000, 0.0005191500000000 ] - [ -0.0000553700000000, 0.0001494100000000, 0.0002007600000000 ] - [ -0.0003489500000000, 0.0018189300000000, -0.0000461900000000 ] - [ 0.0028079400000000, -0.0039758700000000, 0.0036062300000000 ] - [ -0.0001107200000000, 0.0001122200000000, 0.0001345200000000 ] - [ 0.0024921000000000, -0.0000272000000000, 0.0011129900000000 ] - [ -0.0092432100000000, -0.0039104900000000, 0.0033448400000000 ] - [ 0.0001821500000000, -0.0001780700000000, -0.0047474700000000 ] - [ -0.0007433600000000, 0.0003185800000000, -0.0012376000000000 ] - [ -0.0039997400000000, -0.0017293700000000, -0.0041471800000000 ] - [ 0.0004242400000000, 0.0003174400000000, 0.0008479800000000 ] - [ -0.0001322200000000, -0.0014520600000000, 0.0003053700000000 ] - [ 0.0012657400000000, -0.0026070000000000, 0.0016380300000000 ] - [ 0.0001376500000000, 0.0058220600000000, 0.0134473500000000 ] - [ 0.0004183900000000, 0.0003003000000000, 0.0001135100000000 ] - [ -0.0002699100000000, 0.0002034900000000, -0.0004978300000000 ] - [ 0.0000844300000000, -0.0003012600000000, 0.0003326300000000 ] - [ -0.0004191600000000, -0.0008336100000000, -0.0011656400000000 ] - [ 0.0001040100000000, -0.0008860900000000, 0.0007655400000000 ] - [ -0.0000375400000000, -0.0006814400000000, -0.0003251200000000 ] - [ 0.0019410800000000, -0.0020239300000000, -0.0006397200000000 ] - [ 0.0768894100000000, 0.0912217100000000, -0.0047332000000000 ] - [ 0.0004771900000000, 0.0009959400000000, -0.0001175000000000 ] - [ 0.0006840000000000, -0.0024340300000000, -0.0000063400000000 ] - [ -0.0001842300000000, -0.0012873200000000, 0.0001090300000000 ] - [ -0.0145522500000000, 0.1428659900000000, 0.0847897000000000 ] - [ -0.0002069600000000, 0.0008694800000000, -0.0000400700000000 ] - [ 0.0000025500000000, -0.0014803000000000, -0.0003891500000000 ] - [ -0.0001998400000000, -0.0010340900000000, -0.0003199700000000 ] - [ -0.0015814500000000, 0.0022734600000000, -0.0046719200000000 ] - [ 0.0004452000000000, 0.0002798800000000, 0.0009145200000000 ] - [ -0.0000032900000000, -0.0013931000000000, 0.0009343900000000 ] - [ 0.0006070700000000, -0.0009128800000000, 0.0006897500000000 ] - [ -0.0001979200000000, 0.0002836300000000, -0.0017963100000000 ] - [ 0.0016673400000000, 0.0001394000000000, 0.0016839800000000 ] - [ 0.0006698100000000, -0.0015857500000000, -0.0004488700000000 ] - [ 0.0001340900000000, -0.0013807100000000, -0.0004885400000000 ] - [ -0.0008376800000000, 0.0499703600000000, -0.0560582800000000 ] - [ -0.0000755200000000, 0.0009202900000000, -0.0000951400000000 ] - [ -0.0005729500000000, -0.0004129700000000, 0.0005438400000000 ] - [ -0.0005018600000000, -0.0000021200000000, -0.0002889200000000 ] - [ 0.0000090600000000, -0.0013078900000000, -0.0026357900000000 ] - [ 0.0009125400000000, -0.0001875600000000, 0.0004064900000000 ] - [ -0.0014112700000000, -0.0043233200000000, 0.0013717900000000 ] - [ 0.0005670600000000, -0.0006806500000000, -0.0001120000000000 ] - [ 0.0007528900000000, -0.0013379000000000, 0.0003647300000000 ] - [ -0.0009949000000000, -0.0014238500000000, -0.0002232000000000 ] - [ 0.0025516000000000, -0.0051232100000000, -0.0024911000000000 ] - [ 0.0000164100000000, -0.0000257000000000, -0.0001128800000000 ] - [ 0.0009099200000000, 0.0003195700000000, -0.0005302400000000 ] - [ -0.0017574200000000, -0.0007625800000000, -0.0029246700000000 ] - [ -0.0004239900000000, -0.0019473200000000, 0.0003472400000000 ] - [ 0.0001382200000000, -0.0005736600000000, -0.0003457100000000 ] - [ 0.0006322000000000, 0.0007974000000000, 0.0026055100000000 ] - [ -0.0005767100000000, 0.0006469300000000, 0.0006222900000000 ] - [ 0.0004539000000000, -0.0027516100000000, 0.0010975700000000 ] - [ -0.0011578000000000, -0.0017622800000000, 0.0006923000000000 ] - [ 0.0006177500000000, 0.0035779500000000, 0.0037240900000000 ] - [ -0.0013935300000000, 0.0015530100000000, 0.0000181900000000 ] - [ 0.0001903400000000, 0.0011719300000000, 0.0007842400000000 ] - [ -0.0061644900000000, 0.0045199500000000, -0.0009665200000000 ] - [ 0.0229919600000000, 0.0223457200000000, -0.0305475700000000 ] - [ -0.0018663300000000, -0.0010414000000000, -0.0011066200000000 ] - [ 0.0172986800000000, -0.3753932100000000, -0.0048770200000000 ] - [ -0.0003943200000000, -0.0014984100000000, 0.0005324600000000 ] - [ 0.0013162900000000, 0.0034356000000000, 0.0002457600000000 ] - [ -0.0004158500000000, 0.0025502200000000, 0.0000347800000000 ] - [ 0.0014506500000000, 0.0007120500000000, 0.0024375400000000 ] - [ 0.0000894000000000, 0.0004044300000000, -0.0024825600000000 ] - [ -0.0005006500000000, 0.0009914000000000, -0.0004131900000000 ] - [ -0.0005131700000000, 0.0007810300000000, -0.0000391600000000 ] - [ -0.0016067200000000, 0.0144661100000000, 0.0010869000000000 ] - [ -0.0003370300000000, 0.0018263800000000, 0.0006246100000000 ] - [ 0.0085209700000000, -0.0103342000000000, 0.0021705300000000 ] - [ -0.0027171900000000, -0.0041701300000000, -0.0012279100000000 ] - [ 0.0018256100000000, -0.0049111500000000, 0.0019192400000000 ] - [ 0.0006664400000000, -0.0007747900000000, -0.0004815900000000 ] - [ 0.0006310500000000, 0.0016222500000000, -0.0006205500000000 ] - [ 0.0007797600000000, 0.0001266700000000, -0.0003275400000000 ] - [ 0.0138664800000000, -0.0168169300000000, 0.0014927000000000 ] - [ -0.0006966300000000, -0.0019478000000000, -0.0010747200000000 ] - [ -0.0011000000000000, 0.0053453900000000, 0.0010346900000000 ] - [ 0.0000197700000000, 0.0013783100000000, 0.0003799000000000 ] - [ -0.0179129300000000, -0.0079738100000000, 0.0161566900000000 ] - [ 0.0000322600000000, -0.0009824500000000, -0.0004373400000000 ] - [ -0.0003774800000000, 0.0010978000000000, 0.0003278500000000 ] - [ 0.0008977900000000, 0.0030592400000000, 0.0023107500000000 ] - [ -0.0161596200000000, 0.0093724500000000, 0.0072917000000000 ] - [ 0.0055225700000000, 0.0014090500000000, 0.0025561300000000 ] - [ 0.0056218800000000, 0.0289907800000000, 0.0011661500000000 ] - [ 0.0000167000000000, 0.0015703800000000, 0.0004586400000000 ] - [ 0.0001632700000000, 0.0014824700000000, 0.0006792900000000 ] - [ -0.0000676600000000, 0.0000154600000000, 0.0000888800000000 ] - [ -0.0013556700000000, -0.0031821700000000, -0.0048785700000000 ] - [ -0.0002092400000000, -0.0021234200000000, -0.0008620300000000 ] - [ -0.0025412000000000, 0.0036004800000000, -0.0038896400000000 ] - [ 0.0025815100000000, 0.0020326600000000, -0.0020325900000000 ] - [ 0.0036502200000000, 0.0059453300000000, -0.0134777500000000 ] - [ 0.0000960600000000, -0.0003795700000000, 0.0008023600000000 ] - [ -0.0010550200000000, 0.0063243000000000, -0.0001572300000000 ] - [ -0.0000835100000000, 0.0012445700000000, -0.0000984800000000 ] - [ -0.0001912400000000, -0.0021282200000000, 0.0007479800000000 ] - [ -0.0052715100000000, -0.0111525800000000, 0.0055389800000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001882100000000, 0.0014732800000000, -0.0011639700000000 ] - [ 0.0003040200000000, 0.0002295300000000, -0.0003772000000000 ] - [ 0.0012561900000000, -0.0003333500000000, -0.0009973200000000 ] - [ -0.0000473100000000, -0.0003083700000000, -0.0000588300000000 ] - [ -0.0010891700000000, 0.0076077200000000, -0.0001186200000000 ] - [ 0.0002613400000000, 0.0006795100000000, -0.0001160200000000 ] - [ -0.0020723000000000, -0.0048817400000000, 0.0026181700000000 ] - [ 0.0011892900000000, -0.0038539900000000, 0.0019432600000000 ] - [ -0.0021172900000000, -0.0030134800000000, 0.0010978500000000 ] - [ 0.0007637600000000, -0.0008183700000000, 0.0001651400000000 ] - [ -0.0006398200000000, -0.0000598700000000, 0.0003295900000000 ] - [ -0.0006981200000000, -0.0000028000000000, 0.0007536000000000 ] - [ -0.0003688500000000, -0.0025068300000000, 0.0008994000000000 ] - [ -0.0037081600000000, -0.0026207100000000, -0.0009920800000000 ] - [ 0.0005430900000000, 0.0044887300000000, 0.0019690800000000 ] - [ 0.0006607700000000, 0.0010379500000000, -0.0001120400000000 ] - [ -0.0017442000000000, 0.0059458500000000, -0.0016007600000000 ] - [ 0.0014583400000000, 0.0007864300000000, -0.0000777800000000 ] - [ 0.0109261700000000, -0.0000492100000000, -0.0022725200000000 ] - [ -0.0014465300000000, -0.0002935600000000, 0.0000940200000000 ] - [ -0.0002863300000000, 0.0011636000000000, 0.0001612600000000 ] - [ -0.0003913700000000, 0.0004403100000000, 0.0000720100000000 ] - [ 0.0014895100000000, -0.0016228100000000, -0.0003450100000000 ] - [ 0.0003416800000000, -0.0006675400000000, -0.0009781300000000 ] - [ 0.0006524900000000, -0.0024082800000000, -0.0010863000000000 ] - [ -0.0002334700000000, -0.0008851000000000, -0.0001555900000000 ] - [ -0.0004068800000000, 0.0020953000000000, 0.0009817200000000 ] - [ -0.0002610000000000, 0.0010025000000000, 0.0003973700000000 ] - [ 0.0024994900000000, -0.0005956700000000, -0.0000537000000000 ] - [ -0.0036307900000000, -0.0000482200000000, -0.0002201300000000 ] - [ 0.0002403500000000, 0.0101673700000000, -0.0032145100000000 ] - [ -0.0005547700000000, 0.0005788600000000, -0.0004632400000000 ] - [ 0.0771580400000000, -0.0756182400000000, 0.0191672900000000 ] - [ 0.0001405900000000, -0.0011228700000000, -0.0001994200000000 ] - [ -0.0004705900000000, -0.0009952600000000, -0.0008222600000000 ] - [ -0.0001873400000000, -0.0026482300000000, -0.0005661600000000 ] - [ -0.0023043100000000, 0.0048487800000000, -0.0030160000000000 ] - [ 0.0006461300000000, 0.0007355300000000, 0.0004847400000000 ] - [ -0.0030270900000000, 0.0008959200000000, -0.0017356600000000 ] - [ 0.0087726300000000, 0.0048025500000000, -0.0040078000000000 ] - [ -0.0004276100000000, 0.0011752000000000, 0.0037470500000000 ] - [ 0.0004865100000000, 0.0006723700000000, 0.0002695700000000 ] - [ 0.0042570000000000, 0.0026908700000000, 0.0051427100000000 ] - [ -0.0001648800000000, 0.0006651400000000, 0.0001227500000000 ] - [ 0.0003937000000000, 0.0004664500000000, 0.0006608700000000 ] - [ -0.0010210400000000, 0.0016239400000000, -0.0006798100000000 ] - [ -0.0004118300000000, -0.0067890200000000, -0.0144122900000000 ] - [ -0.0006779300000000, -0.0012847400000000, -0.0010818900000000 ] - [ 0.0000674500000000, -0.0009072600000000, 0.0006431000000000 ] - [ -0.0002854700000000, -0.0004031900000000, -0.0001761200000000 ] - [ 0.0006155100000000, 0.0001172500000000, 0.0010130400000000 ] - [ 0.0000918200000000, 0.0001718400000000, -0.0009190900000000 ] - [ 0.0002462800000000, 0.0013915500000000, 0.0001705300000000 ] - [ -0.0017563400000000, 0.0027385200000000, 0.0004893000000000 ] - [ -0.0729248300000000, -0.0881907500000000, 0.0045053800000000 ] - [ -0.0006766900000000, -0.0002859800000000, 0.0002724700000000 ] - [ -0.0003035800000000, 0.0031032700000000, 0.0005702700000000 ] - [ 0.0005478100000000, 0.0019534700000000, 0.0004602800000000 ] - [ 0.0150991100000000, -0.1479967200000000, -0.0917560700000000 ] - [ -0.0001609700000000, -0.0002127300000000, -0.0005267400000000 ] - [ -0.0003665700000000, 0.0008215200000000, -0.0001863800000000 ] - [ -0.0001710600000000, 0.0003766400000000, -0.0002498400000000 ] - [ 0.0019567600000000, -0.0029267800000000, 0.0052203300000000 ] - [ -0.0000774000000000, -0.0009408300000000, -0.0003444800000000 ] - [ -0.0000628500000000, 0.0009299900000000, -0.0004186300000000 ] - [ -0.0006637600000000, 0.0004474600000000, -0.0001690400000000 ] - [ 0.0002602700000000, -0.0007528100000000, 0.0012720900000000 ] - [ -0.0016093200000000, -0.0006335400000000, -0.0021866300000000 ] - [ -0.0005957200000000, 0.0020507000000000, -0.0000578000000000 ] - [ -0.0000792800000000, 0.0018522900000000, -0.0000255500000000 ] - [ 0.0008178400000000, -0.0487917800000000, 0.0564141100000000 ] - [ 0.0000161400000000, -0.0004554500000000, 0.0006117900000000 ] - [ -0.0005019200000000, 0.0002331200000000, -0.0002270600000000 ] - [ -0.0005753100000000, -0.0001763900000000, 0.0006063200000000 ] - [ 0.0010715900000000, 0.0011115200000000, 0.0023051600000000 ] - [ 0.0001667700000000, -0.0000025200000000, -0.0007247900000000 ] - [ 0.0025021800000000, 0.0045208900000000, -0.0016953400000000 ] - [ 0.0005069700000000, 0.0008656200000000, -0.0002077600000000 ] - [ -0.0002276200000000, 0.0004847900000000, 0.0002546400000000 ] - [ 0.0015208800000000, 0.0005712600000000, 0.0008428700000000 ] - [ -0.0023643600000000, 0.0053641800000000, 0.0021404100000000 ] - [ 0.0001648300000000, 0.0002883100000000, -0.0002543000000000 ] - [ -0.0010888100000000, -0.0000507200000000, 0.0008990000000000 ] - [ 0.0015706600000000, 0.0010447400000000, 0.0032959400000000 ] - [ 0.0006069700000000, 0.0016736100000000, -0.0007236200000000 ] - [ 0.0000422100000000, 0.0003056400000000, -0.0000237000000000 ] - [ -0.0008111800000000, -0.0010413200000000, -0.0022446100000000 ] - [ 0.0003975900000000, -0.0009116600000000, -0.0002552100000000 ] - [ -0.0018708100000000, 0.0011129800000000, -0.0001846100000000 ] - [ -0.0002707700000000, 0.0001207300000000, 0.0002186800000000 ] - [ -0.0020901300000000, -0.0029499100000000, -0.0023213500000000 ] - [ -0.0000765600000000, -0.0009301900000000, 0.0013905000000000 ] - [ -0.0016781300000000, -0.0017979800000000, 0.0006293000000000 ] - [ 0.0047506400000000, -0.0051456200000000, 0.0023853100000000 ] - [ -0.0212693500000000, -0.0229813900000000, 0.0291010600000000 ] - [ 0.0033433100000000, 0.0004190100000000, -0.0003024000000000 ] - [ -0.0219574600000000, 0.3778057500000000, 0.0131818400000000 ] - [ -0.0006005300000000, 0.0009040300000000, 0.0000874200000000 ] - [ -0.0003507700000000, -0.0040377400000000, -0.0008714500000000 ] - [ 0.0014194600000000, -0.0031551000000000, -0.0006579900000000 ] - [ -0.0004569700000000, -0.0001026400000000, -0.0030429200000000 ] - [ 0.0009052000000000, 0.0001993900000000, 0.0018553200000000 ] - [ -0.0004931800000000, -0.0003994800000000, 0.0010410800000000 ] - [ -0.0004773500000000, -0.0001901700000000, 0.0006582900000000 ] - [ 0.0002204700000000, -0.0127564300000000, -0.0001890500000000 ] - [ -0.0010874700000000, -0.0001828300000000, 0.0002750500000000 ] - [ -0.0071780400000000, 0.0121046300000000, -0.0031205900000000 ] - [ 0.0041441100000000, 0.0058545700000000, 0.0003167900000000 ] - [ -0.0003334700000000, 0.0054865200000000, -0.0033098500000000 ] - [ 0.0008040300000000, 0.0013856800000000, -0.0009266500000000 ] - [ 0.0007893300000000, -0.0032689600000000, -0.0002861100000000 ] - [ 0.0006422900000000, -0.0017782000000000, -0.0005643100000000 ] - [ -0.0135329800000000, 0.0173657000000000, -0.0015824000000000 ] - [ 0.0009643100000000, 0.0024162300000000, 0.0009261900000000 ] - [ 0.0008149700000000, -0.0048789200000000, -0.0008603000000000 ] - [ -0.0002935200000000, -0.0009184100000000, -0.0002322900000000 ] - [ 0.0175967700000000, 0.0075344400000000, -0.0159924100000000 ] - [ -0.0002994200000000, 0.0005252900000000, 0.0005791300000000 ] - [ 0.0006438600000000, -0.0015659300000000, -0.0004723700000000 ] - [ -0.0006050400000000, -0.0035360100000000, -0.0024441500000000 ] - [ 0.0157379800000000, -0.0075437100000000, -0.0080013600000000 ] - [ -0.0058634900000000, 0.0004699200000000, -0.0032867400000000 ] - [ -0.0053265000000000, -0.0272745300000000, -0.0005674500000000 ] - [ 0.0002999500000000, 0.0003306500000000, 0.0002522000000000 ] - [ 0.0001498600000000, -0.0033697100000000, 0.0000474200000000 ] - [ 0.0003907300000000, -0.0019027500000000, 0.0006336800000000 ] - [ 0.0010304200000000, 0.0012662300000000, 0.0041654600000000 ] - [ -0.0001080900000000, 0.0002177400000000, 0.0001430800000000 ] - [ 0.0029390400000000, -0.0033483100000000, 0.0034995100000000 ] - [ -0.0021599200000000, -0.0017802400000000, 0.0016876300000000 ] - [ -0.0040608800000000, -0.0056090200000000, 0.0139362300000000 ] - [ -0.0005227200000000, 0.0006520200000000, -0.0004450900000000 ] - [ 0.0006473000000000, -0.0065803500000000, 0.0004946200000000 ] - [ -0.0003474200000000, -0.0015087600000000, 0.0004465100000000 ] - [ 0.0006121800000000, 0.0018658300000000, -0.0010957100000000 ] - [ 0.0056342800000000, 0.0108727400000000, -0.0059614700000000 ]- atom: 97 displacement: [ -0.0050436217710434, 0.0000000000000000, 0.0086349220859633 ] forces: - [ -0.0012056400000000, 0.0010245900000000, -0.0003535600000000 ] - [ 0.0005880100000000, -0.0005237300000000, -0.0009479100000000 ] - [ 0.0045991300000000, 0.0001224600000000, -0.0043948200000000 ] - [ -0.0010049800000000, 0.0004681200000000, 0.0000984100000000 ] - [ -0.0006746800000000, -0.0004381300000000, 0.0007420500000000 ] - [ 0.0005382400000000, 0.0000144600000000, -0.0002075300000000 ] - [ 0.0045273000000000, -0.0004413800000000, 0.0000073000000000 ] - [ -0.0012994900000000, -0.0008860900000000, 0.0053434300000000 ] - [ 0.0043269200000000, 0.0000162700000000, -0.0055755500000000 ] - [ -0.0015300100000000, -0.0006332500000000, -0.0015912700000000 ] - [ -0.0005912900000000, -0.0006490300000000, -0.0005916700000000 ] - [ -0.0010916300000000, -0.0008820200000000, -0.0000174600000000 ] - [ 0.0002027300000000, 0.0004561500000000, 0.0038510300000000 ] - [ 0.0061403800000000, -0.0008013400000000, 0.0024996700000000 ] - [ -0.0006985400000000, 0.0013556900000000, 0.0025052000000000 ] - [ 0.0010657100000000, 0.0006578300000000, -0.0003655900000000 ] - [ -0.0026370200000000, -0.0019181400000000, 0.0015546500000000 ] - [ 0.0017263300000000, 0.0005823700000000, -0.0001025700000000 ] - [ 0.0041724600000000, 0.0070459200000000, 0.0071575100000000 ] - [ 0.0001035400000000, -0.0004188400000000, 0.0015001800000000 ] - [ -0.0003898300000000, -0.0001704000000000, -0.0009128100000000 ] - [ -0.0008136500000000, -0.0000505600000000, -0.0000849700000000 ] - [ 0.0029597200000000, -0.0010602900000000, -0.0033606000000000 ] - [ -0.0026852800000000, 0.0003628300000000, -0.0043766700000000 ] - [ 0.0039897300000000, -0.0002984700000000, -0.0060610900000000 ] - [ -0.0011039400000000, -0.0003896500000000, -0.0001659800000000 ] - [ -0.0004085000000000, -0.0004190000000000, 0.0001691900000000 ] - [ 0.0006847400000000, 0.0001385000000000, -0.0002260800000000 ] - [ 0.0025028200000000, 0.0013154000000000, -0.0003432400000000 ] - [ -0.0033815100000000, 0.0012429500000000, 0.0037079500000000 ] - [ -0.0013864300000000, 0.0088929300000000, -0.0015134900000000 ] - [ 0.0006814600000000, -0.0005491800000000, -0.0007443800000000 ] - [ -0.0572866100000000, 0.0250428100000000, 0.0225652200000000 ] - [ 0.0008929600000000, -0.0002069200000000, 0.0004894700000000 ] - [ -0.0008433000000000, -0.0006800000000000, -0.0021870000000000 ] - [ -0.0008725500000000, -0.0036291400000000, -0.0054548400000000 ] - [ -0.0020641800000000, 0.0047585900000000, 0.0051533100000000 ] - [ 0.0011118800000000, 0.0005765400000000, 0.0002080000000000 ] - [ 0.0008978500000000, -0.0004603900000000, 0.0011382000000000 ] - [ 0.0065769400000000, 0.0034943100000000, -0.0008671000000000 ] - [ 0.0016816800000000, -0.0045466400000000, -0.0024811800000000 ] - [ 0.0000651900000000, 0.0006562600000000, 0.0001306800000000 ] - [ -0.0035550200000000, -0.0017377300000000, -0.0015304400000000 ] - [ 0.0010128800000000, 0.0000414200000000, -0.0004750400000000 ] - [ 0.0005352400000000, -0.0000922600000000, -0.0000985300000000 ] - [ -0.0006492800000000, 0.0002227200000000, 0.0006903500000000 ] - [ 0.0029268900000000, 0.0042597300000000, -0.0114139700000000 ] - [ -0.0002292300000000, -0.0005235700000000, -0.0011661900000000 ] - [ 0.0020653500000000, -0.0023650100000000, -0.0027206000000000 ] - [ -0.0007998400000000, -0.0002974000000000, 0.0001572600000000 ] - [ -0.0008291100000000, -0.0010295900000000, -0.0009418800000000 ] - [ 0.0015427100000000, 0.0013165900000000, -0.0028470100000000 ] - [ 0.0002106000000000, 0.0008935300000000, 0.0001006100000000 ] - [ -0.0004785200000000, 0.0011547600000000, 0.0014988400000000 ] - [ -0.0695502000000000, -0.0442667000000000, 0.0323358100000000 ] - [ 0.0009755700000000, 0.0004271900000000, -0.0000357400000000 ] - [ 0.0005364100000000, -0.0006773100000000, 0.0005180100000000 ] - [ 0.0001769000000000, 0.0007485500000000, 0.0011692400000000 ] - [ -0.0320300000000000, 0.0823902300000000, 0.1021505800000000 ] - [ 0.0007055000000000, 0.0002643800000000, -0.0005939500000000 ] - [ 0.0008449200000000, -0.0003499200000000, -0.0014133700000000 ] - [ -0.0006780300000000, -0.0003449100000000, -0.0000557500000000 ] - [ -0.0021098100000000, -0.0011791600000000, -0.0045829100000000 ] - [ 0.0011027000000000, -0.0006123500000000, -0.0023540400000000 ] - [ 0.0012242300000000, -0.0001768600000000, -0.0017157300000000 ] - [ -0.0005200700000000, -0.0003953800000000, 0.0002193500000000 ] - [ 0.0001956900000000, 0.0001002400000000, -0.0025980900000000 ] - [ -0.0026159600000000, 0.0026968700000000, -0.0079301200000000 ] - [ -0.0004119100000000, 0.0002277500000000, 0.0003252400000000 ] - [ 0.0008807100000000, 0.0007672000000000, 0.0001927500000000 ] - [ -0.0115487100000000, -0.0458798900000000, 0.2133186400000000 ] - [ 0.0006632700000000, 0.0002602100000000, 0.0002006700000000 ] - [ 0.0006539000000000, 0.0007226300000000, -0.0014896200000000 ] - [ -0.0014404500000000, -0.0009192000000000, 0.0003405100000000 ] - [ 0.0008250700000000, -0.0020746200000000, -0.0040468000000000 ] - [ -0.0008380000000000, 0.0007330800000000, -0.0015977100000000 ] - [ -0.0012919800000000, -0.0002802400000000, 0.0022096900000000 ] - [ 0.0009485000000000, 0.0002935300000000, 0.0000396000000000 ] - [ 0.0017854900000000, -0.0002359200000000, -0.0011431400000000 ] - [ -0.0014170800000000, -0.0007608400000000, -0.0003186900000000 ] - [ 0.0015808100000000, -0.0051236400000000, -0.0013593300000000 ] - [ 0.0002639200000000, 0.0004406300000000, -0.0003482900000000 ] - [ 0.0009213100000000, -0.0004800600000000, -0.0005020000000000 ] - [ -0.0003514800000000, -0.0009098300000000, 0.0040075700000000 ] - [ 0.0015087000000000, 0.0032465600000000, -0.0010372900000000 ] - [ -0.0001947600000000, -0.0000597200000000, -0.0001569900000000 ] - [ -0.0018151700000000, 0.0003380700000000, 0.0021735000000000 ] - [ 0.0010174200000000, -0.0001153700000000, -0.0008701200000000 ] - [ -0.0056063300000000, -0.0010363500000000, 0.0082823500000000 ] - [ 0.0031308000000000, -0.0020855900000000, 0.0008171400000000 ] - [ 0.0012674300000000, 0.0016315300000000, 0.0023904500000000 ] - [ -0.0028807200000000, -0.0005164200000000, 0.0030546400000000 ] - [ -0.0023289900000000, -0.0020093800000000, 0.0012489700000000 ] - [ 0.0022538700000000, -0.0024440200000000, -0.0016926000000000 ] - [ -0.0220663300000000, -0.0253953800000000, 0.0160419800000000 ] - [ -0.0004485600000000, 0.0003535300000000, -0.0004247800000000 ] - [ 0.1717055400000000, -0.0146912000000000, -0.4082597300000000 ] - [ -0.0023566200000000, -0.0001580600000000, 0.0002869100000000 ] - [ 0.0011776500000000, -0.0003629000000000, -0.0011382100000000 ] - [ 0.0000658200000000, -0.0010613800000000, -0.0014213900000000 ] - [ 0.0011184400000000, 0.0021767200000000, 0.0038874400000000 ] - [ 0.0006638000000000, -0.0013682600000000, 0.0059470000000000 ] - [ -0.0031921600000000, 0.0009315800000000, 0.0033513600000000 ] - [ 0.0007028900000000, 0.0005909700000000, 0.0003594900000000 ] - [ 0.0056547000000000, -0.0022178500000000, -0.0043903600000000 ] - [ -0.0019516300000000, 0.0007058200000000, 0.0007056300000000 ] - [ -0.0091140000000000, -0.0002273000000000, -0.0029359300000000 ] - [ -0.0008315900000000, 0.0032214500000000, -0.0082715500000000 ] - [ -0.0028197900000000, 0.0058718000000000, 0.0072313100000000 ] - [ 0.0018525800000000, 0.0007331000000000, -0.0009883900000000 ] - [ 0.0009209100000000, -0.0011692700000000, 0.0008161100000000 ] - [ 0.0006122000000000, -0.0005967000000000, 0.0005583500000000 ] - [ 0.0208664200000000, -0.0036884300000000, 0.0006179800000000 ] - [ -0.0047271400000000, 0.0003920700000000, 0.0024495400000000 ] - [ 0.0003047300000000, 0.0014052000000000, -0.0011309500000000 ] - [ -0.0001505800000000, -0.0000632600000000, -0.0000443200000000 ] - [ -0.0173405600000000, 0.0106055100000000, 0.0235369800000000 ] - [ -0.0001026200000000, -0.0007177700000000, 0.0004475500000000 ] - [ -0.0010194800000000, 0.0000026000000000, 0.0012147200000000 ] - [ 0.0012290700000000, -0.0001728500000000, -0.0020045400000000 ] - [ -0.0115855200000000, 0.0120163700000000, -0.0023922500000000 ] - [ -0.0038240600000000, 0.0004182400000000, -0.0040389300000000 ] - [ 0.0080875700000000, 0.0105533200000000, -0.0126542000000000 ] - [ -0.0009456000000000, 0.0009271200000000, 0.0004612400000000 ] - [ -0.0027379200000000, -0.0014992100000000, 0.0038442100000000 ] - [ 0.0017937700000000, -0.0018557700000000, 0.0006853600000000 ] - [ 0.0030150800000000, -0.0040355500000000, 0.0083229100000000 ] - [ 0.0004021500000000, 0.0005036900000000, 0.0032957200000000 ] - [ 0.0025832100000000, 0.0007279400000000, -0.0017643300000000 ] - [ -0.0030943900000000, -0.0010087500000000, 0.0022857800000000 ] - [ -0.0124309000000000, -0.0227046200000000, 0.0184094300000000 ] - [ 0.0002019200000000, 0.0001041000000000, 0.0004287900000000 ] - [ -0.0023198900000000, 0.0001047300000000, 0.0020231100000000 ] - [ 0.0002517300000000, -0.0001067100000000, 0.0000788300000000 ] - [ -0.0032987600000000, -0.0000043200000000, 0.0028019300000000 ] - [ 0.0274950900000000, 0.0083891600000000, 0.0054702300000000 ]- atom: 97 displacement: [ 0.0050436217710434, 0.0000000000000000, -0.0086349220859633 ] forces: - [ 0.0008976900000000, -0.0009519900000000, 0.0004671900000000 ] - [ -0.0009065000000000, 0.0006064500000000, 0.0010657300000000 ] - [ -0.0042855300000000, -0.0000270500000000, 0.0042767400000000 ] - [ 0.0013272700000000, -0.0003868300000000, -0.0002181100000000 ] - [ 0.0009948400000000, 0.0003556600000000, -0.0008638400000000 ] - [ -0.0002217200000000, -0.0000971200000000, 0.0000906200000000 ] - [ -0.0048126400000000, 0.0003516000000000, 0.0001268900000000 ] - [ 0.0010043600000000, 0.0007931500000000, -0.0052333000000000 ] - [ -0.0031305000000000, -0.0012991400000000, 0.0049823200000000 ] - [ 0.0027313000000000, -0.0006581700000000, 0.0009897700000000 ] - [ -0.0006132000000000, -0.0006430100000000, 0.0011872600000000 ] - [ -0.0001229300000000, -0.0004096700000000, 0.0006138900000000 ] - [ -0.0014149900000000, 0.0008247400000000, -0.0032303300000000 ] - [ -0.0073768200000000, 0.0020978900000000, -0.0019293100000000 ] - [ 0.0019019800000000, -0.0000589200000000, -0.0030910600000000 ] - [ 0.0001465200000000, 0.0006326000000000, -0.0002269600000000 ] - [ 0.0038054500000000, 0.0022193600000000, -0.0020018800000000 ] - [ -0.0005444500000000, -0.0002987700000000, -0.0003476600000000 ] - [ -0.0052925800000000, -0.0066944800000000, -0.0066775500000000 ] - [ -0.0012786200000000, 0.0006993400000000, -0.0010582200000000 ] - [ -0.0007871200000000, -0.0001120200000000, 0.0013568800000000 ] - [ -0.0003679100000000, -0.0002331700000000, 0.0005348300000000 ] - [ -0.0017773800000000, 0.0007826700000000, 0.0029192800000000 ] - [ 0.0038662500000000, -0.0006431000000000, 0.0039390100000000 ] - [ -0.0039833200000000, 0.0002068300000000, 0.0050648200000000 ] - [ 0.0011168700000000, 0.0002999100000000, -0.0008110600000000 ] - [ 0.0004077400000000, 0.0003213300000000, 0.0008014200000000 ] - [ -0.0006918000000000, -0.0002309600000000, 0.0012023400000000 ] - [ -0.0024922700000000, -0.0012134500000000, 0.0013177600000000 ] - [ 0.0033829100000000, -0.0011592900000000, -0.0027347500000000 ] - [ 0.0013915200000000, -0.0087737200000000, 0.0004918900000000 ] - [ -0.0006792200000000, 0.0006433200000000, -0.0002297800000000 ] - [ 0.0570594700000000, -0.0251330900000000, -0.0224368600000000 ] - [ -0.0019674500000000, 0.0003878800000000, -0.0001737400000000 ] - [ 0.0003306200000000, -0.0001712200000000, 0.0015766400000000 ] - [ 0.0003188100000000, 0.0027852900000000, 0.0048296600000000 ] - [ 0.0025808300000000, -0.0039074200000000, -0.0045223800000000 ] - [ -0.0005781900000000, 0.0002737500000000, 0.0004130900000000 ] - [ -0.0014412100000000, 0.0013152600000000, -0.0017555300000000 ] - [ -0.0070763400000000, -0.0026422700000000, 0.0001859400000000 ] - [ -0.0019326600000000, 0.0054955100000000, 0.0014984400000000 ] - [ -0.0003172400000000, 0.0003295900000000, -0.0010972600000000 ] - [ 0.0037984600000000, 0.0027076300000000, 0.0024898000000000 ] - [ -0.0007567700000000, 0.0009478600000000, 0.0014462700000000 ] - [ -0.0002750600000000, -0.0008913300000000, 0.0010696100000000 ] - [ 0.0009085100000000, -0.0012111000000000, 0.0002816300000000 ] - [ -0.0032547100000000, -0.0053370900000000, 0.0104810200000000 ] - [ -0.0000320600000000, -0.0004623900000000, 0.0001975800000000 ] - [ -0.0022668700000000, 0.0016493100000000, 0.0028672800000000 ] - [ 0.0006049500000000, -0.0004129500000000, -0.0000025800000000 ] - [ 0.0010375900000000, 0.0003270000000000, 0.0007813300000000 ] - [ -0.0013521700000000, -0.0020296400000000, 0.0026978000000000 ] - [ -0.0000121600000000, -0.0001789300000000, -0.0002513700000000 ] - [ 0.0006807800000000, -0.0004481600000000, -0.0016557400000000 ] - [ 0.0708903800000000, 0.0463884300000000, -0.0316379900000000 ] - [ -0.0011741600000000, 0.0002789800000000, 0.0001958900000000 ] - [ -0.0001689400000000, 0.0013338600000000, 0.0000569500000000 ] - [ 0.0001964500000000, -0.0000857700000000, -0.0006007200000000 ] - [ 0.0315559300000000, -0.0861500600000000, -0.1054363700000000 ] - [ -0.0010747100000000, 0.0003947200000000, 0.0000270200000000 ] - [ -0.0012148500000000, -0.0003146600000000, 0.0008454000000000 ] - [ 0.0003113800000000, -0.0003146600000000, -0.0005125700000000 ] - [ 0.0025019600000000, 0.0005410700000000, 0.0051587700000000 ] - [ -0.0007407900000000, -0.0000433300000000, 0.0029311400000000 ] - [ -0.0012881700000000, -0.0002998300000000, 0.0022241200000000 ] - [ 0.0004583900000000, -0.0000710800000000, 0.0002970600000000 ] - [ -0.0001264300000000, -0.0005623400000000, 0.0020840500000000 ] - [ 0.0026786000000000, -0.0031915200000000, 0.0074611800000000 ] - [ 0.0004701000000000, 0.0002410600000000, -0.0008388600000000 ] - [ -0.0008170800000000, -0.0003006300000000, -0.0007127400000000 ] - [ 0.0132134500000000, 0.0430878500000000, -0.2018571400000000 ] - [ -0.0007175400000000, 0.0002075600000000, 0.0003195300000000 ] - [ -0.0017322100000000, -0.0009170900000000, 0.0018145500000000 ] - [ 0.0003619900000000, 0.0007346900000000, -0.0000170900000000 ] - [ 0.0002592500000000, 0.0018979000000000, 0.0037325500000000 ] - [ 0.0019188000000000, -0.0009201900000000, 0.0012864800000000 ] - [ 0.0023570700000000, 0.0004676500000000, -0.0025182100000000 ] - [ 0.0001330000000000, -0.0001070400000000, -0.0003597200000000 ] - [ -0.0012591700000000, -0.0006102300000000, 0.0017589100000000 ] - [ 0.0019429300000000, -0.0000900700000000, 0.0009357800000000 ] - [ -0.0013732900000000, 0.0053741500000000, 0.0009772300000000 ] - [ -0.0000836700000000, -0.0001745400000000, -0.0000183100000000 ] - [ -0.0011030900000000, 0.0007398600000000, 0.0008745300000000 ] - [ 0.0001785700000000, 0.0011916700000000, -0.0036253200000000 ] - [ -0.0013311700000000, -0.0035154900000000, 0.0006694800000000 ] - [ 0.0003780300000000, -0.0002059400000000, -0.0002124400000000 ] - [ 0.0016493400000000, -0.0005983900000000, -0.0018204000000000 ] - [ -0.0012006300000000, -0.0001527600000000, 0.0012369200000000 ] - [ 0.0041781300000000, -0.0006289400000000, -0.0073780900000000 ] - [ -0.0045625000000000, 0.0004379200000000, 0.0000881700000000 ] - [ -0.0027423500000000, -0.0010083600000000, -0.0009656000000000 ] - [ 0.0014133500000000, 0.0011330500000000, -0.0016494400000000 ] - [ 0.0008474800000000, 0.0013786500000000, 0.0001564300000000 ] - [ -0.0037248800000000, 0.0018387900000000, 0.0030994500000000 ] - [ 0.0236623800000000, 0.0250009400000000, -0.0172186900000000 ] - [ 0.0019284200000000, -0.0009675300000000, -0.0009882900000000 ] - [ -0.1768619700000000, 0.0206035200000000, 0.4002076300000000 ] - [ 0.0013607700000000, -0.0004380400000000, 0.0003304800000000 ] - [ -0.0001788500000000, -0.0002388300000000, 0.0005081900000000 ] - [ 0.0009195800000000, 0.0004625000000000, 0.0008028200000000 ] - [ -0.0001390200000000, -0.0015938100000000, -0.0045110300000000 ] - [ 0.0003374800000000, 0.0019655800000000, -0.0065871500000000 ] - [ 0.0022012500000000, -0.0003206700000000, -0.0027255800000000 ] - [ -0.0016981700000000, 0.0000066400000000, 0.0002618800000000 ] - [ -0.0070763300000000, 0.0038411000000000, 0.0052919000000000 ] - [ 0.0005282600000000, 0.0009417800000000, 0.0001935300000000 ] - [ 0.0104736100000000, 0.0018838700000000, 0.0019808500000000 ] - [ 0.0022355300000000, -0.0015597500000000, 0.0074115700000000 ] - [ 0.0043156600000000, -0.0052365000000000, -0.0085982600000000 ] - [ -0.0003979700000000, -0.0001149200000000, -0.0004214700000000 ] - [ 0.0004945400000000, -0.0004725700000000, -0.0017165300000000 ] - [ 0.0008135000000000, -0.0010505300000000, -0.0014612600000000 ] - [ -0.0206219800000000, 0.0041401400000000, -0.0006856100000000 ] - [ 0.0050206500000000, 0.0000735500000000, -0.0025927900000000 ] - [ -0.0005658800000000, -0.0009268100000000, 0.0012673900000000 ] - [ -0.0001305400000000, 0.0005262100000000, 0.0001909000000000 ] - [ 0.0171373500000000, -0.0112526100000000, -0.0235198800000000 ] - [ -0.0001670400000000, 0.0002548400000000, -0.0003095100000000 ] - [ 0.0012875700000000, -0.0004608900000000, -0.0013681500000000 ] - [ -0.0009520200000000, -0.0003002200000000, 0.0018454900000000 ] - [ 0.0112271400000000, -0.0100390500000000, 0.0015915100000000 ] - [ 0.0034708800000000, 0.0014700900000000, 0.0033267100000000 ] - [ -0.0077257800000000, -0.0086189300000000, 0.0133311700000000 ] - [ 0.0012627000000000, 0.0009672800000000, 0.0002521400000000 ] - [ 0.0030586400000000, -0.0004045000000000, -0.0031260800000000 ] - [ -0.0014782500000000, -0.0000368800000000, 0.0000272800000000 ] - [ -0.0033832300000000, 0.0021651400000000, -0.0090963500000000 ] - [ -0.0007095600000000, -0.0024046200000000, -0.0040121800000000 ] - [ -0.0021592400000000, -0.0004672500000000, 0.0014278100000000 ] - [ 0.0035218600000000, 0.0012759500000000, -0.0026276400000000 ] - [ 0.0120797800000000, 0.0228938000000000, -0.0179468400000000 ] - [ -0.0006396800000000, 0.0001606100000000, -0.0000747400000000 ] - [ 0.0018869300000000, -0.0003673100000000, -0.0016539200000000 ] - [ -0.0006735800000000, -0.0001589900000000, 0.0002707400000000 ] - [ 0.0036994800000000, -0.0002594300000000, -0.0031545000000000 ] - [ -0.0270761800000000, -0.0086853100000000, -0.0058896000000000 ]- atom: 113 displacement: [ 0.0099999999206514, 0.0000000000000000, 0.0000012597509720 ] forces: - [ 0.0015680700000000, -0.0024964700000000, 0.0000721900000000 ] - [ -0.0015034400000000, 0.0008633000000000, 0.0000773000000000 ] - [ -0.0008690600000000, 0.0003998000000000, 0.0015107300000000 ] - [ 0.0005638000000000, -0.0037306400000000, -0.0068622700000000 ] - [ 0.0003297200000000, 0.0006940200000000, -0.0003283700000000 ] - [ -0.0007398800000000, -0.0003096700000000, 0.0004544700000000 ] - [ 0.0025587000000000, 0.0042505000000000, 0.0067918000000000 ] - [ -0.0012986400000000, -0.0002695500000000, -0.0013610400000000 ] - [ -0.0034846600000000, -0.0011829300000000, 0.0011037700000000 ] - [ 0.0117361100000000, -0.0005886400000000, -0.0023423300000000 ] - [ 0.0002374600000000, -0.0007655500000000, 0.0015755800000000 ] - [ -0.0014018400000000, -0.0006633300000000, -0.0006182400000000 ] - [ 0.0260600800000000, 0.0050706800000000, -0.0035967800000000 ] - [ -0.0054439200000000, 0.0004776900000000, -0.0022032600000000 ] - [ 0.0003300700000000, 0.0004051200000000, -0.0017185600000000 ] - [ 0.0006497300000000, 0.0007647000000000, 0.0009242000000000 ] - [ 0.0023073300000000, -0.0008710500000000, -0.0005737000000000 ] - [ -0.0009370200000000, -0.0000222800000000, -0.0002394700000000 ] - [ 0.0100574600000000, -0.0020114100000000, 0.0035879100000000 ] - [ -0.0024800400000000, 0.0005807400000000, -0.0001693100000000 ] - [ -0.0001548000000000, 0.0004545900000000, 0.0007890000000000 ] - [ -0.0015994900000000, -0.0009436800000000, -0.0001725900000000 ] - [ -0.0016385500000000, -0.0002061600000000, 0.0035261400000000 ] - [ -0.0051415000000000, 0.0021389200000000, -0.0064736900000000 ] - [ -0.0010899900000000, -0.0005276200000000, 0.0001954000000000 ] - [ 0.0040402000000000, 0.0034987700000000, -0.0057957600000000 ] - [ 0.0016800700000000, -0.0004453700000000, 0.0001246700000000 ] - [ -0.0012085900000000, 0.0001912200000000, 0.0005761500000000 ] - [ -0.0017914700000000, -0.0030948000000000, 0.0069416300000000 ] - [ -0.0011579100000000, 0.0003059200000000, -0.0009155400000000 ] - [ 0.0001130400000000, -0.0021403100000000, -0.0012941600000000 ] - [ -0.0017144600000000, 0.0025136200000000, 0.0005040900000000 ] - [ 0.0163613200000000, -0.0022471700000000, -0.0009174400000000 ] - [ -0.0031118300000000, 0.0007780700000000, 0.0002880500000000 ] - [ 0.0025094300000000, -0.0008785200000000, 0.0029373400000000 ] - [ -0.0020789400000000, -0.0004044400000000, -0.0021126000000000 ] - [ -0.0002069500000000, 0.0012796600000000, -0.0016325000000000 ] - [ -0.0002344700000000, -0.0000621600000000, 0.0013702700000000 ] - [ 0.0018148500000000, 0.0077668600000000, 0.0035273100000000 ] - [ -0.0038234600000000, -0.0009265200000000, -0.0015200000000000 ] - [ 0.0001317700000000, 0.0004461200000000, -0.0004407500000000 ] - [ 0.0002185800000000, 0.0010265500000000, -0.0009497200000000 ] - [ 0.0125144000000000, -0.0024924600000000, 0.0014271700000000 ] - [ -0.0016127900000000, 0.0002894300000000, -0.0000873100000000 ] - [ 0.0006430900000000, -0.0013401700000000, 0.0026916800000000 ] - [ -0.0008727700000000, -0.0004706400000000, -0.0013092900000000 ] - [ -0.0048351600000000, -0.0051671400000000, -0.0011272200000000 ] - [ -0.0047576000000000, 0.0041884900000000, -0.0009736600000000 ] - [ -0.0011572300000000, -0.0002428700000000, 0.0002378900000000 ] - [ 0.0015548600000000, 0.0003555200000000, -0.0000246600000000 ] - [ 0.0062703100000000, 0.0043954900000000, 0.0009764600000000 ] - [ -0.0020506800000000, -0.0011174000000000, -0.0002064900000000 ] - [ 0.0009144800000000, -0.0013397200000000, 0.0008654600000000 ] - [ -0.0008050900000000, 0.0008149900000000, -0.0008738600000000 ] - [ -0.0031465500000000, -0.0037142600000000, -0.0023866700000000 ] - [ -0.0026616000000000, 0.0009677500000000, 0.0023768000000000 ] - [ 0.0010746200000000, -0.0000071100000000, 0.0010691600000000 ] - [ -0.0003517700000000, 0.0003339000000000, -0.0002731600000000 ] - [ -0.0029777500000000, 0.0030094200000000, -0.0099645400000000 ] - [ -0.0052781300000000, 0.0005577600000000, 0.0021994500000000 ] - [ -0.0006121400000000, -0.0004229300000000, 0.0003310200000000 ] - [ 0.0000605800000000, -0.0004998300000000, -0.0009993900000000 ] - [ 0.0209612800000000, 0.0012890000000000, -0.0092560900000000 ] - [ -0.0035386500000000, -0.0002233700000000, -0.0007089200000000 ] - [ -0.0012012500000000, -0.0003257600000000, 0.0004353600000000 ] - [ 0.0011264300000000, -0.0000069000000000, -0.0000174600000000 ] - [ 0.0013452300000000, 0.0011011100000000, 0.0079573700000000 ] - [ -0.0015865300000000, 0.0000614900000000, -0.0028582800000000 ] - [ 0.0018749800000000, -0.0000507900000000, -0.0000711400000000 ] - [ -0.0011866100000000, 0.0003169600000000, -0.0008382500000000 ] - [ -0.0008406300000000, 0.0002065000000000, -0.0076156300000000 ] - [ -0.0001358800000000, -0.0000059000000000, 0.0023155100000000 ] - [ -0.0017634700000000, -0.0018204700000000, 0.0020436800000000 ] - [ -0.0006322600000000, 0.0009902800000000, -0.0008803100000000 ] - [ -0.0038923600000000, 0.0062213500000000, 0.0045223200000000 ] - [ -0.0030302300000000, -0.0025233200000000, -0.0038099700000000 ] - [ 0.0026688900000000, 0.0005851000000000, -0.0007300100000000 ] - [ -0.0005825900000000, -0.0003163000000000, -0.0001519700000000 ] - [ -0.0018871900000000, -0.0002793200000000, 0.0004442000000000 ] - [ 0.0034328400000000, -0.0026071200000000, -0.0000587300000000 ] - [ -0.0010868800000000, 0.0041450800000000, -0.0000453600000000 ] - [ -0.0018869300000000, -0.0034538100000000, 0.0003577800000000 ] - [ 0.0001501500000000, 0.0006621600000000, 0.0009706000000000 ] - [ -0.0005515600000000, -0.0000533500000000, -0.0006559200000000 ] - [ -0.0002130700000000, -0.0000571100000000, -0.0000191200000000 ] - [ 0.0008231900000000, -0.0005753400000000, -0.0002753900000000 ] - [ 0.0088982200000000, 0.0033158200000000, -0.0033087900000000 ] - [ -0.0015557400000000, 0.0001185500000000, 0.0004510900000000 ] - [ 0.0022122600000000, -0.0013616500000000, -0.0020845700000000 ] - [ 0.0047444900000000, -0.0032021400000000, 0.0254311600000000 ] - [ -0.0094647400000000, 0.0011556900000000, 0.0017476800000000 ] - [ 0.0024486600000000, 0.0008971500000000, 0.0007739900000000 ] - [ 0.0005182200000000, 0.0035290400000000, -0.0024387700000000 ] - [ 0.0011856300000000, -0.0014986300000000, 0.0031117100000000 ] - [ 0.0059602200000000, 0.0054128500000000, 0.0021965900000000 ] - [ 0.0054150200000000, -0.0070103600000000, -0.0043330000000000 ] - [ 0.0072094200000000, 0.0134913200000000, 0.0289760000000000 ] - [ 0.0040571700000000, -0.0011256100000000, -0.0026600400000000 ] - [ -0.0024746300000000, 0.0006557100000000, -0.0015516600000000 ] - [ 0.0022428000000000, -0.0004553700000000, 0.0006990000000000 ] - [ 0.0002665600000000, -0.0174816500000000, -0.0204368800000000 ] - [ 0.0053212600000000, 0.0004632500000000, 0.0025407000000000 ] - [ 0.0010884000000000, 0.0008096900000000, -0.0001010500000000 ] - [ -0.0011049700000000, -0.0004545600000000, 0.0012161000000000 ] - [ -0.0018422300000000, 0.0017651100000000, 0.0024573800000000 ] - [ 0.0014004700000000, 0.0002421900000000, -0.0013238600000000 ] - [ -0.0089873700000000, 0.0051019900000000, -0.0342713600000000 ] - [ 0.0039194300000000, 0.0005115700000000, 0.0029848000000000 ] - [ 0.0025077200000000, 0.0008194700000000, -0.0003922200000000 ] - [ -0.0044852200000000, -0.0027206600000000, -0.0006125000000000 ] - [ -0.0009104200000000, 0.0000326500000000, -0.0018844400000000 ] - [ 0.0024950400000000, -0.0008676400000000, 0.0003729200000000 ] - [ -0.1324406300000000, -0.0203913000000000, 0.0236775600000000 ] - [ 0.0066344300000000, 0.0004687100000000, 0.0001765800000000 ] - [ -0.0000913700000000, 0.0001928300000000, 0.0004742800000000 ] - [ -0.0005295000000000, 0.0004593300000000, -0.0001563600000000 ] - [ 0.0222989700000000, -0.0043861200000000, -0.0037099200000000 ] - [ 0.0333305900000000, 0.0081309800000000, 0.0045902200000000 ] - [ -0.0006094500000000, 0.0002381000000000, -0.0024357300000000 ] - [ 0.0012139500000000, -0.0002566100000000, 0.0019177900000000 ] - [ -0.0089369500000000, 0.0008695400000000, -0.0021600800000000 ] - [ 0.0023818800000000, 0.0008980100000000, 0.0010292000000000 ] - [ -0.0057011500000000, -0.0109578600000000, 0.0071869400000000 ] - [ 0.0035042000000000, 0.0024111500000000, -0.0010321000000000 ] - [ 0.0019762200000000, -0.0031120000000000, -0.0026718000000000 ] - [ 0.0003866900000000, 0.0029454500000000, 0.0029974500000000 ] - [ 0.0035632700000000, 0.0128551700000000, -0.0112744500000000 ] - [ 0.0046660400000000, -0.0041343400000000, 0.0028298100000000 ] - [ -0.0079640200000000, 0.0011987600000000, 0.0017443200000000 ] - [ 0.0035745700000000, 0.0002256500000000, -0.0003075500000000 ] - [ -0.0015685200000000, -0.0012697000000000, 0.0012629600000000 ] - [ -0.0041540500000000, 0.0008087700000000, -0.0003288900000000 ] - [ 0.0018350400000000, -0.0016755400000000, -0.0001509500000000 ] - [ -0.0007932700000000, 0.0020013200000000, 0.0004515400000000 ] - [ 0.0014888300000000, -0.0001166800000000, -0.0075328800000000 ] - [ 0.0044317200000000, -0.0000443600000000, 0.0062190800000000 ]- atom: 113 displacement: [ -0.0099999999206514, 0.0000000000000000, -0.0000012597509720 ] forces: - [ -0.0018654000000000, 0.0026002000000000, 0.0000308900000000 ] - [ 0.0011893600000000, -0.0007855800000000, 0.0000436400000000 ] - [ 0.0011828200000000, -0.0003149100000000, -0.0016224300000000 ] - [ -0.0002443600000000, 0.0038209400000000, 0.0067548900000000 ] - [ -0.0000013200000000, -0.0007747000000000, 0.0002086200000000 ] - [ 0.0010551800000000, 0.0002294100000000, -0.0005734700000000 ] - [ -0.0029056400000000, -0.0043573500000000, -0.0066968500000000 ] - [ 0.0009869600000000, 0.0001846600000000, 0.0014779800000000 ] - [ 0.0046901900000000, -0.0001090400000000, -0.0016855600000000 ] - [ -0.0112622900000000, -0.0007754500000000, 0.0010303100000000 ] - [ -0.0014469100000000, -0.0005235800000000, -0.0009915600000000 ] - [ 0.0001964900000000, -0.0006264600000000, 0.0012211800000000 ] - [ -0.0285883300000000, -0.0042350200000000, 0.0051454400000000 ] - [ 0.0042336900000000, 0.0008134900000000, 0.0027890700000000 ] - [ 0.0008879700000000, 0.0008878800000000, 0.0011311000000000 ] - [ 0.0005561800000000, 0.0005249000000000, -0.0015265300000000 ] - [ -0.0011170700000000, 0.0011820600000000, 0.0001344500000000 ] - [ 0.0021173500000000, 0.0003029000000000, -0.0002107500000000 ] - [ -0.0112694500000000, 0.0022872200000000, -0.0031212300000000 ] - [ 0.0013038900000000, -0.0002971500000000, 0.0006136200000000 ] - [ -0.0010137500000000, -0.0007288200000000, -0.0003429400000000 ] - [ 0.0004179400000000, 0.0006650300000000, 0.0006214200000000 ] - [ 0.0028262700000000, -0.0000794700000000, -0.0039760900000000 ] - [ 0.0063226800000000, -0.0024176800000000, 0.0060391300000000 ] - [ 0.0010935000000000, 0.0004320100000000, -0.0011632900000000 ] - [ -0.0040503400000000, -0.0036115700000000, 0.0048400400000000 ] - [ -0.0016828500000000, 0.0003428900000000, 0.0008317700000000 ] - [ 0.0012047700000000, -0.0002813100000000, 0.0004004300000000 ] - [ 0.0017802400000000, 0.0031869500000000, -0.0059667600000000 ] - [ 0.0011600000000000, -0.0002114100000000, 0.0018897000000000 ] - [ -0.0000950200000000, 0.0022231300000000, 0.0003126300000000 ] - [ 0.0017142600000000, -0.0024316900000000, -0.0014841800000000 ] - [ -0.0172867300000000, 0.0025216800000000, 0.0014415500000000 ] - [ 0.0020416300000000, -0.0005992900000000, 0.0000266700000000 ] - [ -0.0030353200000000, 0.0000241200000000, -0.0035654700000000 ] - [ 0.0015605200000000, -0.0004464100000000, 0.0015044300000000 ] - [ 0.0007431200000000, -0.0004299800000000, 0.0022609600000000 ] - [ 0.0007582400000000, 0.0009140100000000, -0.0007543900000000 ] - [ -0.0024040500000000, -0.0069645700000000, -0.0041627200000000 ] - [ 0.0032967700000000, 0.0017704300000000, 0.0008911600000000 ] - [ -0.0003869700000000, 0.0005430100000000, -0.0005116400000000 ] - [ -0.0004794200000000, -0.0000444100000000, -0.0000277200000000 ] - [ -0.0123026500000000, 0.0035163800000000, -0.0004272300000000 ] - [ 0.0018752800000000, 0.0007018600000000, 0.0010596100000000 ] - [ -0.0003855500000000, 0.0003579000000000, -0.0017213300000000 ] - [ 0.0011344300000000, -0.0005139200000000, 0.0022832500000000 ] - [ 0.0045475200000000, 0.0041356400000000, 0.0001546000000000 ] - [ 0.0045331100000000, -0.0052200400000000, 0.0000023300000000 ] - [ 0.0009590900000000, -0.0004674900000000, -0.0000775200000000 ] - [ -0.0017689700000000, -0.0010626100000000, 0.0001616800000000 ] - [ -0.0060496900000000, -0.0050880200000000, -0.0011657900000000 ] - [ 0.0022569300000000, 0.0004122200000000, 0.0000557100000000 ] - [ -0.0007246800000000, 0.0020592900000000, -0.0010186300000000 ] - [ 0.0010087200000000, -0.0001052000000000, 0.0007194700000000 ] - [ 0.0029897100000000, 0.0044180500000000, 0.0025216600000000 ] - [ 0.0024645800000000, -0.0002667900000000, -0.0022358200000000 ] - [ -0.0007127000000000, 0.0006748200000000, -0.0004963200000000 ] - [ 0.0007231100000000, 0.0003254100000000, 0.0008399700000000 ] - [ 0.0031707700000000, -0.0024773800000000, 0.0095790800000000 ] - [ 0.0049353900000000, 0.0001007800000000, -0.0027847300000000 ] - [ 0.0002429200000000, -0.0002350900000000, -0.0008957000000000 ] - [ -0.0004335600000000, -0.0001558600000000, 0.0004286700000000 ] - [ -0.0196453600000000, -0.0019774400000000, 0.0088672200000000 ] - [ 0.0039205300000000, -0.0004353000000000, 0.0012877100000000 ] - [ 0.0011432400000000, -0.0001432100000000, 0.0000842900000000 ] - [ -0.0012066500000000, -0.0004566900000000, 0.0005279000000000 ] - [ -0.0012859600000000, -0.0015644800000000, -0.0084770400000000 ] - [ 0.0016568100000000, -0.0005296400000000, 0.0023574600000000 ] - [ -0.0018333600000000, 0.0005249900000000, -0.0004367500000000 ] - [ 0.0012522100000000, 0.0001491200000000, 0.0003218600000000 ] - [ 0.0008123200000000, 0.0002285200000000, 0.0081550000000000 ] - [ 0.0000733000000000, 0.0004732800000000, -0.0018089100000000 ] - [ 0.0006904100000000, 0.0016363800000000, -0.0017245100000000 ] - [ -0.0004522400000000, -0.0011810600000000, 0.0012028700000000 ] - [ 0.0049660500000000, -0.0063948000000000, -0.0048218700000000 ] - [ 0.0041213800000000, 0.0023543000000000, 0.0035148600000000 ] - [ -0.0015921700000000, -0.0004013100000000, 0.0004158700000000 ] - [ 0.0016624500000000, 0.0005042300000000, -0.0001705300000000 ] - [ 0.0024185200000000, -0.0005647600000000, 0.0001770900000000 ] - [ -0.0029410100000000, 0.0017677400000000, 0.0006684300000000 ] - [ 0.0012704200000000, -0.0038623700000000, -0.0003284500000000 ] - [ 0.0020759900000000, 0.0037451800000000, -0.0007290900000000 ] - [ -0.0003396000000000, -0.0004000200000000, -0.0005987400000000 ] - [ 0.0003731300000000, 0.0003184900000000, 0.0010248000000000 ] - [ 0.0003926600000000, -0.0002078900000000, -0.0003451800000000 ] - [ -0.0006447000000000, 0.0003120700000000, -0.0000943600000000 ] - [ -0.0091452400000000, -0.0035588300000000, 0.0036867400000000 ] - [ 0.0013786500000000, -0.0003888600000000, -0.0000819400000000 ] - [ -0.0036358100000000, -0.0002839900000000, 0.0029698900000000 ] - [ -0.0062279900000000, 0.0015585300000000, -0.0246772300000000 ] - [ 0.0080404400000000, -0.0004737300000000, -0.0002541100000000 ] - [ -0.0039266000000000, -0.0002864400000000, 0.0006312800000000 ] - [ -0.0019842200000000, -0.0041580800000000, 0.0038507500000000 ] - [ -0.0026685400000000, 0.0008792000000000, -0.0017068300000000 ] - [ -0.0044977100000000, -0.0060055400000000, -0.0035557200000000 ] - [ -0.0039338200000000, 0.0064570800000000, 0.0029658300000000 ] - [ -0.0083272900000000, -0.0139104900000000, -0.0281482700000000 ] - [ -0.0050611100000000, 0.0005350600000000, 0.0033022600000000 ] - [ 0.0034826800000000, -0.0012595200000000, 0.0009205300000000 ] - [ -0.0012564000000000, -0.0001425500000000, -0.0013206700000000 ] - [ 0.0007096800000000, 0.0180252600000000, 0.0197435500000000 ] - [ -0.0043472100000000, 0.0001324800000000, -0.0031813400000000 ] - [ -0.0020842300000000, -0.0002110600000000, 0.0007164500000000 ] - [ 0.0001309800000000, 0.0010494500000000, -0.0005875700000000 ] - [ 0.0003888600000000, -0.0001283600000000, -0.0015590000000000 ] - [ -0.0028225800000000, 0.0014092100000000, 0.0022337000000000 ] - [ 0.0105171600000000, -0.0034719100000000, 0.0335334100000000 ] - [ -0.0025059200000000, 0.0011361700000000, -0.0038785300000000 ] - [ -0.0010441500000000, -0.0001937500000000, -0.0010335600000000 ] - [ 0.0059668100000000, 0.0033583300000000, -0.0007695900000000 ] - [ 0.0023174900000000, -0.0016915500000000, 0.0010002100000000 ] - [ -0.0010745900000000, -0.0007800500000000, -0.0012837200000000 ] - [ 0.1335587000000000, 0.0215157700000000, -0.0235794700000000 ] - [ -0.0063719800000000, -0.0000063900000000, -0.0003236300000000 ] - [ -0.0001858800000000, 0.0002645800000000, -0.0003401500000000 ] - [ 0.0002586300000000, 0.0000014900000000, 0.0003119100000000 ] - [ -0.0223915400000000, 0.0038707200000000, 0.0038333000000000 ] - [ -0.0340161700000000, -0.0087153700000000, -0.0045221300000000 ] - [ 0.0008879700000000, -0.0007034800000000, 0.0022904000000000 ] - [ -0.0009454400000000, -0.0002060500000000, -0.0020705000000000 ] - [ 0.0087037400000000, 0.0009784200000000, 0.0013894900000000 ] - [ -0.0027060500000000, 0.0010039800000000, -0.0017382900000000 ] - [ 0.0059464900000000, 0.0128335200000000, -0.0064947500000000 ] - [ -0.0031939900000000, -0.0005284700000000, 0.0017572900000000 ] - [ -0.0016570800000000, 0.0012054100000000, 0.0033805600000000 ] - [ -0.0000613000000000, -0.0048602000000000, -0.0022868800000000 ] - [ -0.0039522500000000, -0.0146870000000000, 0.0105453200000000 ] - [ -0.0050017800000000, 0.0022571900000000, -0.0035740700000000 ] - [ 0.0084510800000000, -0.0010292300000000, -0.0021174600000000 ] - [ -0.0031568600000000, 0.0000461800000000, -0.0000472800000000 ] - [ 0.0011384600000000, 0.0015392600000000, -0.0009331500000000 ] - [ 0.0037364100000000, -0.0005500900000000, 0.0006881700000000 ] - [ -0.0022733800000000, 0.0014022200000000, 0.0005046400000000 ] - [ 0.0003914600000000, -0.0022827700000000, -0.0000996600000000 ] - [ -0.0010598400000000, -0.0001415600000000, 0.0071895600000000 ] - [ -0.0040256800000000, -0.0002206000000000, -0.0065900800000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020993100000000, -0.0076951000000000, 0.0029377300000000 ] - [ -0.0000988000000000, -0.0005463900000000, 0.0002426700000000 ] - [ 0.0000593700000000, 0.0009403900000000, 0.0003930000000000 ] - [ -0.0002554900000000, 0.0013674100000000, -0.0007040100000000 ] - [ 0.0012240800000000, -0.0054255300000000, 0.0003913700000000 ] - [ -0.0000149900000000, -0.0013769700000000, 0.0002610800000000 ] - [ 0.0018830900000000, 0.0053468000000000, 0.0006007300000000 ] - [ -0.0002873000000000, 0.0008099800000000, 0.0000304500000000 ] - [ 0.0006778700000000, 0.0002277400000000, -0.0004859700000000 ] - [ -0.0006437700000000, 0.0099106900000000, -0.0030685300000000 ] - [ -0.0000444200000000, -0.0024959400000000, 0.0000801600000000 ] - [ -0.0006883900000000, -0.0011367200000000, 0.0001818000000000 ] - [ 0.0060377500000000, 0.0123507400000000, -0.0022802900000000 ] - [ -0.0002380300000000, 0.0013168500000000, 0.0003262100000000 ] - [ -0.0000962300000000, -0.0007849100000000, -0.0009520900000000 ] - [ 0.0009114600000000, -0.0000303300000000, -0.0005165700000000 ] - [ -0.0021390800000000, -0.0048579300000000, -0.0027174200000000 ] - [ 0.0009755400000000, -0.0001909500000000, -0.0002881400000000 ] - [ -0.0003430100000000, 0.0025804700000000, 0.0090134600000000 ] - [ -0.0007774700000000, 0.0004480500000000, -0.0000305300000000 ] - [ -0.0003752100000000, -0.0023031900000000, 0.0000342500000000 ] - [ -0.0013587500000000, -0.0013143700000000, 0.0002169900000000 ] - [ -0.0005165000000000, 0.0018050100000000, 0.0005070900000000 ] - [ -0.0005182100000000, 0.0011288000000000, -0.0012067900000000 ] - [ 0.0000679000000000, 0.0009475700000000, -0.0007457600000000 ] - [ 0.0013763500000000, 0.0024627900000000, -0.0006270500000000 ] - [ 0.0026277700000000, -0.0107672100000000, -0.0033896600000000 ] - [ 0.0000532100000000, -0.0006073300000000, 0.0004846500000000 ] - [ -0.0013563400000000, 0.0001195600000000, 0.0020550500000000 ] - [ 0.0005595500000000, 0.0008644300000000, 0.0003511800000000 ] - [ -0.0006152800000000, -0.0020599900000000, -0.0009590100000000 ] - [ 0.0032757400000000, -0.0025416100000000, -0.0008268000000000 ] - [ 0.0004834600000000, 0.0194002000000000, 0.0086516300000000 ] - [ -0.0004606400000000, 0.0007653200000000, 0.0003373700000000 ] - [ -0.0003142700000000, 0.0002276000000000, 0.0023976700000000 ] - [ -0.0005935000000000, -0.0000193500000000, -0.0005054300000000 ] - [ 0.0027479800000000, 0.0004101800000000, 0.0036643700000000 ] - [ -0.0001092600000000, 0.0001936900000000, 0.0001614600000000 ] - [ 0.0087078700000000, -0.0049734500000000, -0.0055411800000000 ] - [ -0.0015621600000000, -0.0001015900000000, -0.0006156800000000 ] - [ -0.0011502000000000, -0.0004166200000000, -0.0028651900000000 ] - [ 0.0002031700000000, 0.0001411100000000, 0.0008434800000000 ] - [ 0.0014931400000000, 0.0114138800000000, 0.0001618100000000 ] - [ 0.0000163100000000, 0.0005764500000000, 0.0004761500000000 ] - [ 0.0001622900000000, -0.0015474400000000, 0.0007600200000000 ] - [ 0.0001452700000000, -0.0015183000000000, 0.0001348900000000 ] - [ -0.0039177400000000, 0.0011686000000000, -0.0012723400000000 ] - [ 0.0025732400000000, 0.0019725100000000, 0.0009540600000000 ] - [ -0.0002929500000000, -0.0004072200000000, -0.0003520300000000 ] - [ 0.0021242800000000, -0.0021868700000000, 0.0033707300000000 ] - [ 0.0040752400000000, 0.0003434200000000, -0.0095362700000000 ] - [ -0.0000939100000000, -0.0003941300000000, 0.0000785700000000 ] - [ -0.0000925100000000, -0.0011254500000000, 0.0002567100000000 ] - [ 0.0008851500000000, -0.0002848300000000, -0.0002103500000000 ] - [ -0.0031538600000000, 0.0020598700000000, -0.0004487700000000 ] - [ 0.0020403000000000, 0.0026155100000000, -0.0008260100000000 ] - [ 0.0002325600000000, -0.0027053200000000, 0.0000275900000000 ] - [ 0.0002489600000000, -0.0003299400000000, 0.0003623100000000 ] - [ 0.0002196900000000, 0.0158205900000000, 0.0029213400000000 ] - [ -0.0009604400000000, 0.0013603700000000, 0.0001981200000000 ] - [ -0.0004460100000000, -0.0014892200000000, -0.0002368400000000 ] - [ 0.0001924300000000, -0.0023838200000000, 0.0001535000000000 ] - [ -0.0016108800000000, 0.0133737900000000, 0.0044024000000000 ] - [ -0.0002656200000000, 0.0006085800000000, 0.0003601400000000 ] - [ -0.0001593300000000, -0.0011505000000000, -0.0000778100000000 ] - [ 0.0022564700000000, -0.0034507000000000, 0.0014655300000000 ] - [ 0.0013393400000000, 0.0023590500000000, -0.0018336000000000 ] - [ 0.0003546900000000, 0.0007053800000000, -0.0004876100000000 ] - [ 0.0008222200000000, -0.0053000100000000, -0.0014441500000000 ] - [ 0.0002778200000000, -0.0004390000000000, -0.0003571500000000 ] - [ -0.0025067800000000, 0.0044829400000000, -0.0026560400000000 ] - [ 0.0002970500000000, 0.0013977200000000, -0.0000003300000000 ] - [ -0.0020232600000000, -0.0019428600000000, 0.0012265600000000 ] - [ 0.0004249300000000, -0.0004683200000000, 0.0007333400000000 ] - [ 0.0021384100000000, 0.0016459500000000, -0.0005963900000000 ] - [ -0.0006039000000000, 0.0002646400000000, -0.0007451900000000 ] - [ -0.0007105700000000, -0.0037604800000000, 0.0019430800000000 ] - [ 0.0005429800000000, -0.0004134300000000, -0.0001316700000000 ] - [ 0.0006286400000000, -0.0006846100000000, 0.0002444200000000 ] - [ -0.0073647200000000, -0.0058633100000000, -0.0047109200000000 ] - [ 0.0027441100000000, -0.0000252400000000, -0.0005018500000000 ] - [ -0.0011605800000000, -0.0004866200000000, 0.0001111600000000 ] - [ 0.0006254700000000, 0.0002537800000000, -0.0005393600000000 ] - [ -0.0001697600000000, 0.0000424600000000, 0.0000287400000000 ] - [ 0.0000125400000000, -0.0006583700000000, 0.0001674100000000 ] - [ -0.0000964500000000, -0.0009198800000000, -0.0010500000000000 ] - [ 0.0033803000000000, 0.0358822900000000, -0.0128571100000000 ] - [ -0.0000673900000000, 0.0001412200000000, 0.0001998100000000 ] - [ -0.0001901500000000, -0.0027966900000000, 0.0006185100000000 ] - [ -0.0012146300000000, -0.0040044100000000, 0.0030253000000000 ] - [ 0.0059704700000000, 0.0267401700000000, 0.0249521200000000 ] - [ -0.0009368000000000, 0.0007642500000000, 0.0005377000000000 ] - [ 0.0001534000000000, 0.0010363100000000, -0.0001139000000000 ] - [ -0.0030162900000000, -0.0001582200000000, 0.0007610700000000 ] - [ 0.0040533500000000, 0.0016394300000000, 0.0008654100000000 ] - [ -0.0112096800000000, -0.0021402200000000, -0.0006773600000000 ] - [ 0.0163855200000000, -0.0174279700000000, 0.0056258000000000 ] - [ -0.0011517000000000, -0.0024896400000000, 0.0001064400000000 ] - [ 0.0017676700000000, 0.0048153100000000, -0.0008990900000000 ] - [ 0.0000669200000000, 0.0008504300000000, -0.0002199200000000 ] - [ -0.0098047300000000, -0.0073630900000000, 0.0063330500000000 ] - [ 0.0014930400000000, -0.0004517600000000, -0.0002934600000000 ] - [ 0.0005884400000000, 0.0016274400000000, 0.0006726900000000 ] - [ -0.0032763000000000, 0.0035936800000000, -0.0013927400000000 ] - [ 0.0026451400000000, 0.0072081700000000, 0.0006251800000000 ] - [ -0.0019618700000000, 0.0027781300000000, 0.0011260700000000 ] - [ 0.0043292900000000, -0.0076690200000000, -0.0122504800000000 ] - [ 0.0005591800000000, -0.0003700500000000, -0.0004400400000000 ] - [ 0.0011410900000000, -0.0008735700000000, 0.0007053200000000 ] - [ -0.0003878900000000, -0.0012110000000000, -0.0054350400000000 ] - [ -0.0025388500000000, 0.0074781700000000, -0.0000243000000000 ] - [ 0.0011074300000000, 0.0003416700000000, -0.0004350100000000 ] - [ -0.0213124300000000, -0.1302825200000000, 0.0018513600000000 ] - [ 0.0003774400000000, -0.0008189700000000, -0.0001053700000000 ] - [ -0.0001000700000000, 0.0032101800000000, -0.0000945400000000 ] - [ -0.0003676300000000, 0.0022752300000000, 0.0002057300000000 ] - [ -0.0042950900000000, -0.0059329000000000, 0.0014895500000000 ] - [ 0.0083490300000000, -0.0056015100000000, 0.0022827900000000 ] - [ -0.0003328100000000, 0.0020086200000000, -0.0000616900000000 ] - [ 0.0001627300000000, 0.0011603400000000, -0.0000596200000000 ] - [ -0.0037280300000000, 0.0069149900000000, 0.0124606400000000 ] - [ -0.0000251000000000, 0.0007424500000000, -0.0002685500000000 ] - [ -0.0151005800000000, 0.0141843400000000, -0.0189056800000000 ] - [ 0.0009978600000000, 0.0014058900000000, 0.0002503600000000 ] - [ -0.0006114500000000, 0.0002797600000000, 0.0006326400000000 ] - [ 0.0026997100000000, 0.0005564600000000, 0.0038427900000000 ] - [ 0.0150981700000000, -0.0001727500000000, -0.0132122800000000 ] - [ -0.0009913300000000, -0.0017243800000000, -0.0012914200000000 ] - [ -0.0050886000000000, 0.0266341900000000, 0.0011912700000000 ] - [ 0.0005091700000000, 0.0009085100000000, -0.0002996800000000 ] - [ -0.0020303500000000, -0.0024096000000000, -0.0024422500000000 ] - [ 0.0002354700000000, -0.0016918000000000, 0.0027465000000000 ] - [ -0.0017537900000000, 0.0030137800000000, 0.0008192900000000 ] - [ 0.0017970900000000, 0.0053894600000000, -0.0010890500000000 ] - [ 0.0000096200000000, -0.0032509900000000, -0.0004888600000000 ] - [ 0.0011562100000000, -0.0013893200000000, 0.0010684100000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017628800000000, 0.0077736300000000, -0.0027975100000000 ] - [ -0.0002161000000000, 0.0006362200000000, -0.0001238700000000 ] - [ 0.0002570100000000, -0.0008625800000000, -0.0005101600000000 ] - [ 0.0005753400000000, -0.0013196400000000, 0.0005522800000000 ] - [ -0.0009227300000000, 0.0053534200000000, -0.0005125400000000 ] - [ 0.0003400300000000, 0.0012852000000000, -0.0003829900000000 ] - [ -0.0021925900000000, -0.0054038000000000, -0.0004524800000000 ] - [ -0.0000274700000000, -0.0008909200000000, 0.0000848900000000 ] - [ 0.0005347000000000, -0.0015157100000000, -0.0001134600000000 ] - [ 0.0018096000000000, -0.0112295900000000, 0.0024266900000000 ] - [ -0.0011662700000000, 0.0012074900000000, 0.0005319500000000 ] - [ -0.0005200900000000, -0.0001526600000000, 0.0004116900000000 ] - [ -0.0073862800000000, -0.0109994400000000, 0.0029878300000000 ] - [ -0.0009624300000000, -0.0000269300000000, 0.0002740500000000 ] - [ 0.0012970600000000, 0.0020763000000000, 0.0003441500000000 ] - [ 0.0002996300000000, 0.0013204600000000, -0.0000792200000000 ] - [ 0.0033026900000000, 0.0051286300000000, 0.0022369900000000 ] - [ 0.0002096700000000, 0.0004771600000000, -0.0001615400000000 ] - [ -0.0007995500000000, -0.0023503600000000, -0.0085842400000000 ] - [ -0.0004007200000000, -0.0001696700000000, 0.0004799000000000 ] - [ -0.0008216700000000, 0.0020148700000000, 0.0004208700000000 ] - [ 0.0001897200000000, 0.0010301000000000, 0.0002373000000000 ] - [ 0.0017012900000000, -0.0020775800000000, -0.0009604300000000 ] - [ 0.0016594900000000, -0.0013889500000000, 0.0007228200000000 ] - [ -0.0000619400000000, -0.0010360100000000, -0.0002287400000000 ] - [ -0.0013552000000000, -0.0025233300000000, -0.0003790500000000 ] - [ -0.0026427100000000, 0.0106920600000000, 0.0043768000000000 ] - [ -0.0000560900000000, 0.0005110300000000, 0.0004895800000000 ] - [ 0.0013436500000000, -0.0000562600000000, -0.0010518800000000 ] - [ -0.0005676700000000, -0.0007832100000000, 0.0006257700000000 ] - [ 0.0006068200000000, 0.0021643200000000, -0.0000177900000000 ] - [ -0.0032450200000000, 0.0026311300000000, -0.0001503900000000 ] - [ -0.0013399900000000, -0.0188373200000000, -0.0076556100000000 ] - [ -0.0006204800000000, -0.0005730500000000, -0.0000157400000000 ] - [ -0.0002138700000000, -0.0010609800000000, -0.0030067700000000 ] - [ 0.0000612900000000, -0.0008217600000000, -0.0001137800000000 ] - [ -0.0022356600000000, 0.0004261200000000, -0.0030690800000000 ] - [ 0.0006365800000000, 0.0006455900000000, 0.0004585200000000 ] - [ -0.0091281500000000, 0.0057999500000000, 0.0048545200000000 ] - [ 0.0010322600000000, 0.0009554700000000, -0.0000070300000000 ] - [ 0.0008860300000000, 0.0014135200000000, 0.0018888100000000 ] - [ -0.0004606100000000, 0.0008561500000000, -0.0018075300000000 ] - [ -0.0010665500000000, -0.0123145100000000, 0.0008080400000000 ] - [ 0.0002403500000000, 0.0004033400000000, 0.0004932600000000 ] - [ 0.0000960700000000, 0.0005491300000000, 0.0002121900000000 ] - [ 0.0001140700000000, 0.0005289200000000, 0.0008382600000000 ] - [ 0.0036414400000000, -0.0021293200000000, 0.0002987100000000 ] - [ -0.0028254500000000, -0.0029195100000000, -0.0019113100000000 ] - [ 0.0000882500000000, -0.0002958700000000, 0.0005079900000000 ] - [ -0.0023150400000000, 0.0014821300000000, -0.0031854700000000 ] - [ -0.0039286700000000, -0.0010927800000000, 0.0094950800000000 ] - [ 0.0002868700000000, -0.0003219300000000, -0.0002316700000000 ] - [ 0.0003060200000000, 0.0018195000000000, -0.0004236700000000 ] - [ -0.0006885000000000, 0.0009902200000000, 0.0000539200000000 ] - [ 0.0029723100000000, -0.0013271800000000, 0.0005940800000000 ] - [ -0.0022296600000000, -0.0018803900000000, 0.0009770300000000 ] - [ 0.0001398300000000, 0.0033689900000000, 0.0005298200000000 ] - [ 0.0001195300000000, 0.0009915300000000, 0.0002074600000000 ] - [ -0.0005011900000000, -0.0152307500000000, -0.0034550300000000 ] - [ 0.0005694500000000, -0.0006984700000000, -0.0007547000000000 ] - [ 0.0000746100000000, 0.0008286500000000, -0.0003327600000000 ] - [ -0.0005563700000000, 0.0017229100000000, -0.0007128900000000 ] - [ 0.0019169400000000, -0.0139267800000000, -0.0037356700000000 ] - [ 0.0006233600000000, -0.0012662000000000, 0.0002050400000000 ] - [ 0.0000918600000000, 0.0006868600000000, 0.0005946700000000 ] - [ -0.0022984900000000, 0.0029811200000000, -0.0009325700000000 ] - [ -0.0012865300000000, -0.0028531100000000, 0.0013050100000000 ] - [ -0.0002981200000000, -0.0011774800000000, -0.0000313000000000 ] - [ -0.0007454000000000, 0.0057610900000000, 0.0009095200000000 ] - [ -0.0002201100000000, 0.0009060900000000, -0.0001604100000000 ] - [ 0.0024517100000000, -0.0040253500000000, 0.0031972200000000 ] - [ -0.0003600000000000, -0.0009279200000000, 0.0005173700000000 ] - [ 0.0009385700000000, 0.0017588400000000, -0.0009036600000000 ] - [ -0.0014912800000000, 0.0002941700000000, -0.0004100500000000 ] - [ -0.0010563700000000, -0.0018700100000000, 0.0002676700000000 ] - [ 0.0016731800000000, -0.0004737800000000, 0.0004104600000000 ] - [ 0.0017914600000000, 0.0039498100000000, -0.0022807600000000 ] - [ 0.0005330100000000, 0.0005936700000000, -0.0001858900000000 ] - [ -0.0001065600000000, -0.0001699500000000, 0.0003767000000000 ] - [ 0.0079649100000000, 0.0050492100000000, 0.0053863000000000 ] - [ -0.0025816200000000, 0.0002735900000000, 0.0001325400000000 ] - [ 0.0013448200000000, 0.0007276400000000, -0.0004808900000000 ] - [ -0.0008064400000000, 0.0000212100000000, 0.0009070700000000 ] - [ -0.0000103600000000, 0.0002312900000000, 0.0003396900000000 ] - [ 0.0001681400000000, 0.0003856900000000, -0.0005386100000000 ] - [ 0.0002805300000000, 0.0006476800000000, 0.0006874200000000 ] - [ -0.0030551200000000, -0.0336298800000000, 0.0121329900000000 ] - [ -0.0001150300000000, -0.0004020300000000, 0.0001696500000000 ] - [ -0.0012349100000000, 0.0011519600000000, 0.0002863500000000 ] - [ -0.0001808100000000, 0.0023432900000000, -0.0019724400000000 ] - [ -0.0074945300000000, -0.0264308700000000, -0.0237819000000000 ] - [ -0.0005298800000000, -0.0001351100000000, 0.0008697700000000 ] - [ -0.0016258300000000, -0.0016177300000000, 0.0015259300000000 ] - [ 0.0015571400000000, -0.0004436500000000, 0.0006462000000000 ] - [ -0.0025700300000000, -0.0022787200000000, -0.0022543100000000 ] - [ 0.0125904300000000, 0.0014625100000000, -0.0007437300000000 ] - [ -0.0174444900000000, 0.0167550800000000, -0.0050678000000000 ] - [ 0.0001667600000000, 0.0018741700000000, 0.0005079900000000 ] - [ -0.0007914100000000, -0.0054076300000000, 0.0003073100000000 ] - [ 0.0009271300000000, -0.0014458600000000, -0.0004007300000000 ] - [ 0.0108414100000000, 0.0081452700000000, -0.0069203100000000 ] - [ -0.0004864300000000, 0.0010555900000000, -0.0003236500000000 ] - [ -0.0015699100000000, -0.0010358300000000, -0.0000511800000000 ] - [ 0.0022632900000000, -0.0030008800000000, 0.0019908000000000 ] - [ -0.0040392000000000, -0.0055624900000000, 0.0002923700000000 ] - [ 0.0005283900000000, -0.0011267300000000, -0.0002177000000000 ] - [ -0.0029386700000000, 0.0094053100000000, 0.0111743900000000 ] - [ 0.0008606600000000, 0.0020233800000000, -0.0004662100000000 ] - [ 0.0003365700000000, 0.0014764900000000, -0.0021143000000000 ] - [ 0.0018545500000000, 0.0017815700000000, 0.0040007400000000 ] - [ 0.0039895000000000, -0.0091289900000000, -0.0009108000000000 ] - [ 0.0003063500000000, -0.0019926700000000, -0.0004646000000000 ] - [ 0.0205916700000000, 0.1298164900000000, -0.0016632600000000 ] - [ -0.0000977800000000, 0.0012789500000000, -0.0000421500000000 ] - [ -0.0001718500000000, -0.0027496900000000, 0.0002581300000000 ] - [ 0.0000901700000000, -0.0018116400000000, -0.0000701100000000 ] - [ 0.0039615200000000, 0.0055022900000000, -0.0013387700000000 ] - [ -0.0084952000000000, 0.0052103900000000, -0.0021251300000000 ] - [ 0.0006087100000000, -0.0024749300000000, -0.0000882800000000 ] - [ 0.0001122500000000, -0.0016306500000000, -0.0000879300000000 ] - [ 0.0034278600000000, -0.0050612200000000, -0.0131006700000000 ] - [ -0.0002954900000000, 0.0011400100000000, -0.0004453800000000 ] - [ 0.0155709200000000, -0.0123619000000000, 0.0198186000000000 ] - [ -0.0006769100000000, 0.0005102500000000, 0.0004621100000000 ] - [ 0.0009355800000000, -0.0021594800000000, 0.0000789900000000 ] - [ -0.0024053700000000, -0.0024207700000000, -0.0031567500000000 ] - [ -0.0153213700000000, -0.0017848100000000, 0.0124145800000000 ] - [ 0.0006793800000000, -0.0001990900000000, 0.0005717500000000 ] - [ 0.0054839700000000, -0.0261962400000000, -0.0015497000000000 ] - [ -0.0000824800000000, -0.0006490700000000, -0.0000547600000000 ] - [ 0.0016099500000000, 0.0026951900000000, 0.0027930000000000 ] - [ -0.0006666500000000, 0.0019791500000000, -0.0023998200000000 ] - [ 0.0013534000000000, -0.0032777100000000, -0.0004679900000000 ] - [ -0.0022647300000000, -0.0056501700000000, 0.0014534700000000 ] - [ 0.0004213800000000, 0.0029702600000000, 0.0001306100000000 ] - [ -0.0007319100000000, 0.0011178200000000, -0.0014141300000000 ]- atom: 113 displacement: [ -0.0050436217710434, 0.0000000000000000, 0.0086349220859633 ] forces: - [ -0.0008828900000000, 0.0037085300000000, 0.0004876000000000 ] - [ 0.0000856300000000, -0.0001818100000000, 0.0001243600000000 ] - [ 0.0025706900000000, -0.0002499200000000, -0.0032407100000000 ] - [ -0.0015129400000000, -0.0010834400000000, -0.0011816200000000 ] - [ -0.0009400300000000, 0.0001990600000000, 0.0012242000000000 ] - [ 0.0006779800000000, -0.0000299700000000, -0.0001840200000000 ] - [ 0.0031572700000000, -0.0039956900000000, -0.0097081500000000 ] - [ -0.0008086000000000, 0.0000927000000000, 0.0000579500000000 ] - [ 0.0031765500000000, -0.0005555300000000, -0.0010616200000000 ] - [ -0.0073301300000000, -0.0021293000000000, 0.0126645600000000 ] - [ -0.0003599700000000, -0.0005593700000000, -0.0012540000000000 ] - [ -0.0009934900000000, -0.0006610800000000, -0.0000626000000000 ] - [ -0.0196884900000000, -0.0034024100000000, 0.0190570700000000 ] - [ 0.0011213800000000, 0.0008697400000000, 0.0023201700000000 ] - [ -0.0002342800000000, 0.0005173700000000, -0.0002632900000000 ] - [ 0.0012286400000000, 0.0005173200000000, -0.0015296000000000 ] - [ -0.0010129600000000, -0.0026794200000000, 0.0020010600000000 ] - [ 0.0015505100000000, 0.0002384000000000, -0.0004866700000000 ] - [ -0.0078881500000000, 0.0072957300000000, -0.0119973900000000 ] - [ -0.0003343500000000, -0.0000009100000000, -0.0006995400000000 ] - [ 0.0003299400000000, -0.0004985600000000, 0.0001374200000000 ] - [ -0.0009534100000000, -0.0001780900000000, 0.0006234100000000 ] - [ 0.0051876800000000, -0.0003746800000000, -0.0047440300000000 ] - [ -0.0028336000000000, 0.0009139900000000, -0.0015664100000000 ] - [ 0.0014731700000000, 0.0001522000000000, -0.0024616200000000 ] - [ -0.0016913500000000, 0.0006038000000000, -0.0026559800000000 ] - [ -0.0007356900000000, -0.0006580400000000, 0.0020365300000000 ] - [ 0.0004752500000000, -0.0001569600000000, 0.0003837500000000 ] - [ 0.0054330800000000, 0.0045683600000000, -0.0068618800000000 ] - [ -0.0008619500000000, -0.0001331500000000, 0.0007489900000000 ] - [ -0.0008899100000000, 0.0007585600000000, 0.0011121500000000 ] - [ 0.0021319800000000, -0.0020699800000000, -0.0007778900000000 ] - [ -0.0053382700000000, 0.0079983000000000, 0.0173416700000000 ] - [ 0.0010394800000000, -0.0001435900000000, -0.0001589000000000 ] - [ -0.0000573500000000, 0.0007549200000000, -0.0047682500000000 ] - [ -0.0005861900000000, -0.0004203800000000, -0.0007455700000000 ] - [ -0.0015849100000000, 0.0012664500000000, 0.0005734700000000 ] - [ 0.0024931600000000, 0.0004803200000000, -0.0013801500000000 ] - [ 0.0017931400000000, -0.0071440800000000, 0.0016238200000000 ] - [ 0.0005642300000000, 0.0008551400000000, 0.0009675800000000 ] - [ -0.0011131900000000, -0.0004775700000000, -0.0032215100000000 ] - [ -0.0008266400000000, 0.0015040300000000, -0.0022931900000000 ] - [ -0.0047371000000000, 0.0027079900000000, 0.0129855200000000 ] - [ 0.0010208000000000, 0.0006247600000000, 0.0007720800000000 ] - [ 0.0005148400000000, 0.0004761700000000, -0.0020433300000000 ] - [ -0.0006648300000000, -0.0003915500000000, 0.0000339900000000 ] - [ 0.0042139200000000, 0.0026118100000000, 0.0048042600000000 ] - [ 0.0020810400000000, -0.0015821200000000, 0.0026492900000000 ] - [ 0.0010189300000000, -0.0007743500000000, -0.0009370100000000 ] - [ -0.0022245100000000, 0.0018353700000000, -0.0006216800000000 ] - [ -0.0028223700000000, -0.0095314600000000, -0.0011805300000000 ] - [ 0.0006634500000000, 0.0001081400000000, -0.0006352600000000 ] - [ 0.0005420000000000, 0.0022177200000000, -0.0005246600000000 ] - [ -0.0002817700000000, 0.0005281400000000, 0.0002766100000000 ] - [ -0.0058215600000000, -0.0009295700000000, 0.0025016600000000 ] - [ 0.0034729500000000, -0.0001351300000000, -0.0010666400000000 ] - [ 0.0008348500000000, -0.0007304200000000, -0.0007943900000000 ] - [ -0.0000497100000000, 0.0004474200000000, 0.0001440800000000 ] - [ -0.0096673400000000, 0.0041629200000000, 0.0120931800000000 ] - [ 0.0027953100000000, 0.0005466400000000, -0.0003825200000000 ] - [ 0.0009648600000000, -0.0001472200000000, -0.0014696800000000 ] - [ -0.0009686500000000, 0.0000359300000000, -0.0004520200000000 ] - [ -0.0174128300000000, -0.0015421300000000, 0.0227253000000000 ] - [ 0.0013873900000000, -0.0003481000000000, 0.0009741000000000 ] - [ 0.0008959800000000, -0.0001222200000000, 0.0003986700000000 ] - [ -0.0012900300000000, 0.0000966300000000, 0.0015840400000000 ] - [ 0.0012834200000000, -0.0010325000000000, -0.0107599400000000 ] - [ -0.0014702100000000, -0.0004998000000000, -0.0012677100000000 ] - [ -0.0008448800000000, 0.0007189500000000, 0.0019113500000000 ] - [ 0.0004002600000000, 0.0001960500000000, 0.0000187900000000 ] - [ -0.0047303600000000, 0.0013561700000000, -0.0024000200000000 ] - [ 0.0012661000000000, 0.0009975700000000, -0.0026124900000000 ] - [ 0.0020927300000000, 0.0023494400000000, -0.0022053000000000 ] - [ -0.0017327000000000, -0.0000787400000000, 0.0002757400000000 ] - [ 0.0096086800000000, -0.0079294000000000, -0.0038102500000000 ] - [ -0.0002219000000000, 0.0009379400000000, 0.0017899800000000 ] - [ -0.0000560300000000, 0.0015261600000000, 0.0000285100000000 ] - [ 0.0008673000000000, 0.0003758900000000, -0.0006872000000000 ] - [ 0.0016923300000000, -0.0006805600000000, 0.0004688800000000 ] - [ -0.0026992400000000, -0.0014625000000000, 0.0021731500000000 ] - [ -0.0005077900000000, -0.0010707800000000, 0.0015836100000000 ] - [ 0.0017495900000000, 0.0021415300000000, 0.0005106700000000 ] - [ 0.0017902800000000, -0.0006091700000000, -0.0018740300000000 ] - [ -0.0005344900000000, -0.0000601600000000, 0.0001045700000000 ] - [ 0.0007811000000000, 0.0005624400000000, -0.0012998100000000 ] - [ -0.0003873500000000, -0.0008311600000000, -0.0009494500000000 ] - [ -0.0078385400000000, -0.0111828300000000, 0.0140629500000000 ] - [ 0.0003920400000000, -0.0002149300000000, 0.0001454000000000 ] - [ -0.0059486300000000, 0.0002376900000000, 0.0036202200000000 ] - [ 0.0068829400000000, -0.0006003400000000, 0.0075871700000000 ] - [ 0.0045775300000000, 0.0098375600000000, -0.0068795500000000 ] - [ -0.0024859400000000, -0.0000656200000000, 0.0008247500000000 ] - [ -0.0050800000000000, -0.0054693200000000, 0.0044159300000000 ] - [ 0.0011596100000000, -0.0005616300000000, 0.0006686400000000 ] - [ 0.0008573400000000, -0.0015992100000000, -0.0082462400000000 ] - [ -0.0066609300000000, 0.0038844300000000, -0.0020194600000000 ] - [ 0.0230599700000000, -0.0058903000000000, 0.0025349200000000 ] - [ -0.0050058300000000, -0.0007461300000000, 0.0030410500000000 ] - [ 0.0008236500000000, -0.0016033200000000, -0.0015884000000000 ] - [ 0.0004418800000000, -0.0004831100000000, -0.0004508000000000 ] - [ -0.0110289800000000, 0.0230142700000000, 0.0263633900000000 ] - [ 0.0004879800000000, -0.0002244100000000, 0.0000410500000000 ] - [ -0.0032233800000000, -0.0003024000000000, 0.0006839200000000 ] - [ 0.0024046900000000, -0.0013767700000000, -0.0005529800000000 ] - [ 0.0018692700000000, 0.0015245800000000, -0.0007495500000000 ] - [ -0.0024266100000000, 0.0015227300000000, 0.0018760900000000 ] - [ -0.0096064900000000, -0.0077889500000000, 0.0413107800000000 ] - [ 0.0010130100000000, 0.0009604000000000, -0.0015876000000000 ] - [ 0.0005317200000000, 0.0000667600000000, 0.0021480600000000 ] - [ 0.0025542600000000, -0.0031738800000000, 0.0031350000000000 ] - [ 0.0004849700000000, -0.0016067400000000, 0.0009091300000000 ] - [ 0.0007782900000000, -0.0006522600000000, -0.0002179600000000 ] - [ 0.0874537000000000, 0.0122359500000000, -0.1299896000000000 ] - [ -0.0029245900000000, 0.0000847000000000, -0.0005630000000000 ] - [ 0.0001959400000000, 0.0003994500000000, 0.0017085400000000 ] - [ -0.0001448700000000, -0.0000042400000000, 0.0019083100000000 ] - [ -0.0146299500000000, 0.0030597800000000, -0.0103102800000000 ] - [ -0.0131695700000000, -0.0025757400000000, -0.0190160600000000 ] - [ -0.0015270200000000, -0.0004781200000000, 0.0035140000000000 ] - [ 0.0013140600000000, -0.0002312500000000, 0.0003355200000000 ] - [ -0.0018985000000000, 0.0132216900000000, 0.0083686300000000 ] - [ -0.0000724700000000, 0.0011386200000000, 0.0006574800000000 ] - [ 0.0072022900000000, -0.0050376500000000, -0.0060654600000000 ] - [ -0.0023038300000000, 0.0001417400000000, 0.0013777100000000 ] - [ -0.0034576800000000, 0.0011786600000000, 0.0046003600000000 ] - [ 0.0029435700000000, -0.0000061100000000, 0.0001466700000000 ] - [ -0.0123540800000000, -0.0185174000000000, 0.0092526100000000 ] - [ 0.0000127600000000, -0.0005628900000000, -0.0024260900000000 ] - [ 0.0069720800000000, -0.0041071700000000, -0.0093001300000000 ] - [ -0.0011509500000000, 0.0001841600000000, -0.0002682100000000 ] - [ 0.0030067600000000, -0.0007281900000000, 0.0075046500000000 ] - [ 0.0010344100000000, 0.0010769600000000, 0.0064065000000000 ] - [ -0.0009186200000000, 0.0006597400000000, -0.0014846700000000 ] - [ 0.0007731900000000, -0.0010724000000000, -0.0023528300000000 ] - [ -0.0069107600000000, -0.0005669900000000, 0.0104821100000000 ] - [ 0.0036968200000000, 0.0004166900000000, 0.0014221100000000 ]- atom: 113 displacement: [ 0.0050436217710434, 0.0000000000000000, -0.0086349220859633 ] forces: - [ 0.0005886700000000, -0.0036234200000000, -0.0003871800000000 ] - [ -0.0004055400000000, 0.0002662500000000, -0.0000043100000000 ] - [ -0.0022651600000000, 0.0003351300000000, 0.0031194600000000 ] - [ 0.0018444600000000, 0.0011528100000000, 0.0010295400000000 ] - [ 0.0012669900000000, -0.0002916500000000, -0.0013425400000000 ] - [ -0.0003642200000000, -0.0000533800000000, 0.0000704200000000 ] - [ -0.0034750000000000, 0.0038817300000000, 0.0097864500000000 ] - [ 0.0004987200000000, -0.0001762500000000, 0.0000573800000000 ] - [ -0.0019759700000000, -0.0007341900000000, 0.0004554000000000 ] - [ 0.0084266800000000, 0.0008218100000000, -0.0133464200000000 ] - [ -0.0008432700000000, -0.0007310000000000, 0.0018399600000000 ] - [ -0.0002194200000000, -0.0006288900000000, 0.0006588400000000 ] - [ 0.0167688900000000, 0.0041294700000000, -0.0173120200000000 ] - [ -0.0023267500000000, 0.0004205600000000, -0.0017372000000000 ] - [ 0.0014430200000000, 0.0007739900000000, -0.0003261300000000 ] - [ -0.0000164400000000, 0.0007724500000000, 0.0009367000000000 ] - [ 0.0021889000000000, 0.0029694000000000, -0.0024386500000000 ] - [ -0.0003689700000000, 0.0000436100000000, 0.0000389700000000 ] - [ 0.0066261400000000, -0.0069255900000000, 0.0123414200000000 ] - [ -0.0008362900000000, 0.0002824400000000, 0.0011519900000000 ] - [ -0.0015004700000000, 0.0002261500000000, 0.0003015100000000 ] - [ -0.0002326200000000, -0.0001069100000000, -0.0001749400000000 ] - [ -0.0040237900000000, 0.0000902100000000, 0.0042938600000000 ] - [ 0.0039850500000000, -0.0011822400000000, 0.0010857300000000 ] - [ -0.0014815900000000, -0.0002525700000000, 0.0014874400000000 ] - [ 0.0017317900000000, -0.0006890900000000, 0.0016614600000000 ] - [ 0.0007473100000000, 0.0005473800000000, -0.0011032000000000 ] - [ -0.0004840500000000, 0.0000674400000000, 0.0005925200000000 ] - [ -0.0054164600000000, -0.0044597000000000, 0.0078406600000000 ] - [ 0.0008628300000000, 0.0002246900000000, 0.0002254600000000 ] - [ 0.0009014600000000, -0.0006690000000000, -0.0020932800000000 ] - [ -0.0021267700000000, 0.0021580500000000, -0.0001937200000000 ] - [ 0.0045275900000000, -0.0073429000000000, -0.0164215800000000 ] - [ -0.0021111200000000, 0.0003276000000000, 0.0004813600000000 ] - [ -0.0004534000000000, -0.0016244100000000, 0.0041600900000000 ] - [ 0.0000499100000000, -0.0004270400000000, 0.0001278100000000 ] - [ 0.0021099200000000, -0.0004155700000000, 0.0000682300000000 ] - [ -0.0019569800000000, 0.0003744300000000, 0.0020072900000000 ] - [ -0.0023275300000000, 0.0079474000000000, -0.0022038100000000 ] - [ -0.0010890900000000, -0.0000074900000000, -0.0015941400000000 ] - [ 0.0008471400000000, 0.0014619300000000, 0.0022547000000000 ] - [ 0.0005760200000000, -0.0005214200000000, 0.0013223600000000 ] - [ 0.0049983800000000, -0.0018203700000000, -0.0119972500000000 ] - [ -0.0007628200000000, 0.0003618100000000, 0.0001988600000000 ] - [ -0.0002557400000000, -0.0014528900000000, 0.0030164900000000 ] - [ 0.0009231900000000, -0.0005969200000000, 0.0009341500000000 ] - [ -0.0044896800000000, -0.0036208700000000, -0.0058175100000000 ] - [ -0.0023429600000000, 0.0005989100000000, -0.0035992800000000 ] - [ -0.0012237000000000, 0.0000636100000000, 0.0010910600000000 ] - [ 0.0020318000000000, -0.0025476400000000, 0.0007593400000000 ] - [ 0.0030750000000000, 0.0089465800000000, 0.0009990300000000 ] - [ -0.0004717400000000, -0.0008183600000000, 0.0004804200000000 ] - [ -0.0003486800000000, -0.0014925000000000, 0.0003806600000000 ] - [ 0.0004858300000000, 0.0001791600000000, -0.0004316600000000 ] - [ 0.0056501700000000, 0.0016609300000000, -0.0023535600000000 ] - [ -0.0036624400000000, 0.0008373300000000, 0.0012302700000000 ] - [ -0.0004716600000000, 0.0013878700000000, 0.0013697600000000 ] - [ 0.0004223700000000, 0.0002117700000000, 0.0004232300000000 ] - [ 0.0093744300000000, -0.0035193700000000, -0.0126238100000000 ] - [ -0.0031678000000000, 0.0001164900000000, -0.0001734500000000 ] - [ -0.0013392600000000, -0.0005104500000000, 0.0009024100000000 ] - [ 0.0006023400000000, -0.0006952400000000, -0.0001218100000000 ] - [ 0.0196519900000000, 0.0008379800000000, -0.0239040600000000 ] - [ -0.0010253400000000, -0.0003111600000000, -0.0004016900000000 ] - [ -0.0009583400000000, -0.0003473600000000, 0.0001113700000000 ] - [ 0.0012211600000000, -0.0005628900000000, -0.0010707100000000 ] - [ -0.0012242000000000, 0.0005792300000000, 0.0102953200000000 ] - [ 0.0015170700000000, 0.0000280400000000, 0.0007489300000000 ] - [ 0.0008934600000000, -0.0002523200000000, -0.0024118400000000 ] - [ -0.0003362500000000, 0.0002704500000000, -0.0005365100000000 ] - [ 0.0046558500000000, -0.0009044800000000, 0.0029544300000000 ] - [ -0.0013162800000000, -0.0005310300000000, 0.0031400400000000 ] - [ -0.0031812300000000, -0.0025473100000000, 0.0025290600000000 ] - [ 0.0006528300000000, -0.0001038500000000, 0.0000422100000000 ] - [ -0.0085975300000000, 0.0077877800000000, 0.0035107400000000 ] - [ 0.0012849900000000, -0.0011248800000000, -0.0021097500000000 ] - [ 0.0011217800000000, -0.0013374500000000, -0.0003314700000000 ] - [ 0.0002142500000000, -0.0001894300000000, 0.0003681900000000 ] - [ -0.0011700300000000, -0.0001637000000000, 0.0001427800000000 ] - [ 0.0032024700000000, 0.0005951800000000, -0.0015870600000000 ] - [ 0.0007045900000000, 0.0013328000000000, -0.0019677900000000 ] - [ -0.0015677600000000, -0.0018747100000000, -0.0008723300000000 ] - [ -0.0019741700000000, 0.0008623300000000, 0.0022455900000000 ] - [ 0.0003561000000000, 0.0003277900000000, 0.0002637900000000 ] - [ -0.0006066900000000, -0.0008222300000000, 0.0009329400000000 ] - [ 0.0005772300000000, 0.0005692400000000, 0.0005810200000000 ] - [ 0.0076967500000000, 0.0113908100000000, -0.0137628700000000 ] - [ -0.0005755500000000, -0.0000522300000000, 0.0002243500000000 ] - [ 0.0045544400000000, -0.0018831900000000, -0.0027101100000000 ] - [ -0.0083354500000000, -0.0010590400000000, -0.0065599300000000 ] - [ -0.0060802200000000, -0.0091851600000000, 0.0085246800000000 ] - [ 0.0010217000000000, 0.0006812500000000, 0.0005829500000000 ] - [ 0.0035970000000000, 0.0048193900000000, -0.0030164200000000 ] - [ -0.0026374700000000, -0.0000523100000000, 0.0007383000000000 ] - [ 0.0005971300000000, 0.0009819400000000, 0.0068784100000000 ] - [ 0.0081176000000000, -0.0044821900000000, 0.0005853400000000 ] - [ -0.0240437900000000, 0.0052737500000000, -0.0020477700000000 ] - [ 0.0040014300000000, 0.0001438600000000, -0.0024335300000000 ] - [ 0.0001826700000000, 0.0009994400000000, 0.0009426400000000 ] - [ 0.0005418700000000, -0.0001129300000000, -0.0001703500000000 ] - [ 0.0121951900000000, -0.0226583400000000, -0.0272685200000000 ] - [ 0.0005199800000000, 0.0008204800000000, -0.0006602400000000 ] - [ 0.0022423900000000, 0.0009036600000000, -0.0000531300000000 ] - [ -0.0033949200000000, 0.0019711400000000, 0.0011841100000000 ] - [ -0.0032987800000000, 0.0001232300000000, 0.0016454200000000 ] - [ 0.0010038400000000, 0.0001278400000000, -0.0009790500000000 ] - [ 0.0107871500000000, 0.0092814900000000, -0.0417853100000000 ] - [ 0.0003929400000000, 0.0006891700000000, 0.0006915000000000 ] - [ 0.0009555700000000, 0.0005597700000000, -0.0035606200000000 ] - [ -0.0011214500000000, 0.0038114100000000, -0.0045381100000000 ] - [ 0.0009158400000000, -0.0000445400000000, -0.0017916800000000 ] - [ 0.0006508000000000, -0.0009959600000000, -0.0006859100000000 ] - [ -0.0875727500000000, -0.0119269300000000, 0.1298860500000000 ] - [ 0.0032033600000000, 0.0003790500000000, 0.0004172000000000 ] - [ -0.0004592400000000, 0.0000588300000000, -0.0015706500000000 ] - [ -0.0001375700000000, 0.0004650300000000, -0.0017580100000000 ] - [ 0.0144211200000000, -0.0035469800000000, 0.0105865200000000 ] - [ 0.0129238100000000, 0.0021140700000000, 0.0190419500000000 ] - [ 0.0017994800000000, 0.0000196600000000, -0.0036645100000000 ] - [ -0.0010406000000000, -0.0002323700000000, -0.0004829800000000 ] - [ 0.0016374400000000, -0.0112675700000000, -0.0090860900000000 ] - [ -0.0002565600000000, 0.0007580400000000, -0.0013709300000000 ] - [ -0.0068952500000000, 0.0069867000000000, 0.0066409300000000 ] - [ 0.0026184300000000, 0.0017516800000000, -0.0006716300000000 ] - [ 0.0037919100000000, -0.0031017700000000, -0.0038858000000000 ] - [ -0.0026252100000000, -0.0018824300000000, 0.0005859500000000 ] - [ 0.0120734600000000, 0.0167884800000000, -0.0099753900000000 ] - [ -0.0003167100000000, -0.0013400500000000, 0.0017047100000000 ] - [ -0.0065187200000000, 0.0043143100000000, 0.0089278400000000 ] - [ 0.0015763900000000, 0.0000826800000000, -0.0000842300000000 ] - [ -0.0033735300000000, 0.0010010600000000, -0.0071263800000000 ] - [ -0.0015042500000000, -0.0008182100000000, -0.0060739400000000 ] - [ 0.0004814300000000, -0.0009246500000000, 0.0018531800000000 ] - [ -0.0011780700000000, 0.0008095900000000, 0.0026921600000000 ] - [ 0.0073234900000000, 0.0003206200000000, -0.0108426600000000 ] - [ -0.0032720500000000, -0.0006816200000000, -0.0017758600000000 ]- atom: 121 displacement: [ 0.0099999999206514, 0.0000000000000000, 0.0000012597509720 ] forces: - [ 0.0003823700000000, -0.0003685900000000, 0.0019488100000000 ] - [ -0.0011051400000000, 0.0002662400000000, -0.0012905900000000 ] - [ 0.0021959700000000, 0.0002115900000000, 0.0003131500000000 ] - [ -0.0007732900000000, -0.0000496700000000, 0.0001425600000000 ] - [ -0.0023423700000000, -0.0049484100000000, 0.0020543000000000 ] - [ -0.0009038100000000, 0.0018545100000000, -0.0008942600000000 ] - [ 0.0137793800000000, 0.0060954900000000, -0.0057359000000000 ] - [ -0.0023604600000000, 0.0000444500000000, 0.0005035400000000 ] - [ 0.0007362000000000, -0.0004623900000000, -0.0003171500000000 ] - [ 0.0020885300000000, -0.0009415700000000, -0.0002313900000000 ] - [ -0.0018051400000000, -0.0000004200000000, 0.0029058000000000 ] - [ -0.0018452300000000, -0.0015847900000000, -0.0021267200000000 ] - [ 0.0027029700000000, -0.0015443700000000, -0.0030675500000000 ] - [ -0.0022810300000000, 0.0008202400000000, 0.0002669600000000 ] - [ -0.0040124300000000, -0.0032752100000000, -0.0034898600000000 ] - [ -0.0030309600000000, 0.0029659200000000, -0.0002209600000000 ] - [ 0.0161190400000000, 0.0027906200000000, -0.0008688300000000 ] - [ -0.0027841400000000, -0.0000818900000000, -0.0009478400000000 ] - [ 0.0052233400000000, -0.0015725000000000, -0.0015403300000000 ] - [ -0.0026325000000000, 0.0003847700000000, 0.0000046300000000 ] - [ 0.0001866500000000, 0.0000248900000000, 0.0016433900000000 ] - [ -0.0016590400000000, -0.0003765700000000, -0.0009490200000000 ] - [ 0.0032849000000000, -0.0010817100000000, 0.0033467900000000 ] - [ -0.0008921800000000, 0.0000938900000000, -0.0017118100000000 ] - [ 0.0032052800000000, 0.0050347300000000, -0.0038406700000000 ] - [ -0.0013644800000000, -0.0006406400000000, -0.0000353000000000 ] - [ 0.0003971200000000, 0.0001094100000000, 0.0012761700000000 ] - [ -0.0002064800000000, -0.0002507400000000, -0.0001799300000000 ] - [ -0.0006046700000000, -0.0036509100000000, 0.0003995500000000 ] - [ -0.0013383300000000, 0.0002316500000000, 0.0006355500000000 ] - [ -0.0044048700000000, -0.0002088100000000, 0.0018966800000000 ] - [ -0.0050812900000000, 0.0043934200000000, -0.0020638600000000 ] - [ 0.0224902000000000, -0.0092240200000000, -0.0088772600000000 ] - [ -0.0044885100000000, -0.0001199900000000, -0.0006682000000000 ] - [ -0.0028575200000000, -0.0001184400000000, 0.0032622000000000 ] - [ -0.0048195000000000, 0.0013625700000000, -0.0053534000000000 ] - [ 0.0000187800000000, 0.0005203100000000, 0.0001359600000000 ] - [ -0.0007495300000000, 0.0002731300000000, 0.0002336100000000 ] - [ 0.0173971500000000, 0.0021419500000000, 0.0131373000000000 ] - [ -0.0034288700000000, 0.0001959900000000, -0.0002591300000000 ] - [ 0.0235577400000000, 0.0065377700000000, 0.0212293800000000 ] - [ -0.0018079300000000, 0.0005516800000000, -0.0008013700000000 ] - [ 0.0012625700000000, 0.0014129700000000, 0.0015374300000000 ] - [ -0.0006915600000000, 0.0002895900000000, -0.0004972300000000 ] - [ 0.0009250400000000, 0.0010480100000000, 0.0017474000000000 ] - [ -0.0009237800000000, -0.0008445100000000, -0.0004117500000000 ] - [ -0.0004339700000000, -0.0000338700000000, 0.0027827900000000 ] - [ -0.0039806000000000, -0.0026266800000000, -0.0067571700000000 ] - [ 0.0021199200000000, -0.0018932500000000, -0.0061549000000000 ] - [ -0.0007868500000000, 0.0000354600000000, 0.0004806000000000 ] - [ -0.0000836800000000, -0.0006193600000000, 0.0010489000000000 ] - [ 0.0000549000000000, -0.0002942600000000, -0.0008401200000000 ] - [ 0.0007486700000000, 0.0008300900000000, -0.0007201600000000 ] - [ -0.0013024200000000, 0.0004459600000000, -0.0000855200000000 ] - [ -0.0056581700000000, 0.0005783800000000, 0.0021141400000000 ] - [ -0.0090172800000000, -0.0046827800000000, -0.0020645200000000 ] - [ 0.0130750600000000, 0.0022886700000000, -0.0007817000000000 ] - [ -0.0017691900000000, 0.0002263000000000, 0.0002975900000000 ] - [ -0.0029162000000000, 0.0051980200000000, 0.0028489900000000 ] - [ -0.0018822800000000, -0.0018137100000000, -0.0018008100000000 ] - [ 0.0034666900000000, -0.0013455100000000, -0.0001880100000000 ] - [ -0.0014772900000000, -0.0003070800000000, -0.0005843600000000 ] - [ -0.0001593800000000, -0.0001596900000000, 0.0025346500000000 ] - [ -0.0005773800000000, -0.0005246200000000, -0.0011783600000000 ] - [ 0.0004582900000000, -0.0004275600000000, 0.0008525500000000 ] - [ 0.0011932300000000, 0.0002922100000000, -0.0011580000000000 ] - [ -0.0011536400000000, -0.0023300300000000, 0.0028233500000000 ] - [ -0.0004921100000000, 0.0007415400000000, -0.0022194600000000 ] - [ 0.0039842600000000, 0.0011438300000000, -0.0013288600000000 ] - [ -0.0013249100000000, 0.0002160400000000, -0.0005956700000000 ] - [ -0.0039295300000000, 0.0060201800000000, -0.0035909300000000 ] - [ -0.0032930500000000, -0.0020613400000000, 0.0008740500000000 ] - [ 0.0020759800000000, 0.0002753900000000, 0.0045596300000000 ] - [ -0.0019015800000000, 0.0000395700000000, -0.0012708500000000 ] - [ 0.0011004900000000, 0.0000153600000000, 0.0011677600000000 ] - [ -0.0001757800000000, -0.0002267900000000, -0.0012818600000000 ] - [ 0.0061586400000000, 0.0004068900000000, -0.0006437500000000 ] - [ -0.0012803500000000, -0.0000348100000000, -0.0004418900000000 ] - [ -0.0000646400000000, -0.0007584800000000, 0.0007752000000000 ] - [ 0.0007909500000000, -0.0000800100000000, -0.0000716200000000 ] - [ -0.0003910700000000, 0.0001351200000000, 0.0004031600000000 ] - [ 0.0000148700000000, -0.0000099400000000, -0.0005475500000000 ] - [ 0.0126495800000000, 0.0014901800000000, -0.0025395000000000 ] - [ -0.0017537700000000, -0.0000905100000000, 0.0000242000000000 ] - [ 0.0011271800000000, -0.0009833700000000, -0.0009920200000000 ] - [ -0.0004648100000000, -0.0001720500000000, 0.0001013000000000 ] - [ 0.0018512600000000, -0.0009198000000000, 0.0020486200000000 ] - [ -0.0007701000000000, 0.0002093800000000, -0.0004349000000000 ] - [ -0.0065438600000000, -0.0017049600000000, 0.0006360700000000 ] - [ 0.0010071000000000, -0.0007537000000000, 0.0002906800000000 ] - [ -0.0016806800000000, -0.0001577100000000, -0.0006819100000000 ] - [ -0.0002550200000000, 0.0007157400000000, 0.0017255000000000 ] - [ -0.0000352700000000, 0.0008899100000000, 0.0004199800000000 ] - [ 0.0008728400000000, -0.0002644100000000, 0.0011931600000000 ] - [ 0.0065488400000000, -0.0006828000000000, -0.0054600900000000 ] - [ 0.0216222900000000, 0.0014349200000000, 0.0179949700000000 ] - [ 0.0171840800000000, -0.0163261300000000, -0.0026335200000000 ] - [ 0.0079939900000000, 0.0053638100000000, 0.0010688300000000 ] - [ -0.0075954400000000, -0.0058073000000000, 0.0041499000000000 ] - [ 0.0034287600000000, -0.0001550300000000, 0.0001223300000000 ] - [ 0.0000818000000000, 0.0003051800000000, -0.0039067600000000 ] - [ 0.0013270200000000, 0.0000673900000000, 0.0020701600000000 ] - [ -0.0070117900000000, 0.0014919900000000, 0.0001966800000000 ] - [ 0.0010351100000000, 0.0003496600000000, 0.0018536600000000 ] - [ 0.0151873500000000, 0.0135030500000000, -0.0028124100000000 ] - [ 0.0055140400000000, -0.0025726300000000, 0.0011451200000000 ] - [ -0.0073002900000000, 0.0117105500000000, 0.0060772700000000 ] - [ 0.0038594500000000, 0.0003135100000000, -0.0005760300000000 ] - [ 0.0052297300000000, -0.0076258200000000, 0.0198877000000000 ] - [ 0.0038970200000000, 0.0001036000000000, -0.0014079500000000 ] - [ -0.0000521000000000, -0.0007779900000000, -0.0036315600000000 ] - [ 0.0020338500000000, -0.0005673900000000, 0.0023774900000000 ] - [ -0.0086877200000000, -0.0033363100000000, -0.0072565900000000 ] - [ 0.0026784900000000, 0.0003642100000000, 0.0015123400000000 ] - [ -0.0059992600000000, 0.0155728400000000, 0.0048403000000000 ] - [ 0.0032110100000000, -0.0006022100000000, -0.0008149500000000 ] - [ 0.0016754900000000, -0.0010093400000000, -0.0030663200000000 ] - [ 0.0000974100000000, 0.0023176400000000, 0.0034292400000000 ] - [ 0.0039133100000000, -0.0153938500000000, -0.0120045400000000 ] - [ 0.0049744800000000, 0.0006070900000000, 0.0029485500000000 ] - [ -0.1364663400000000, -0.0123314900000000, -0.0167126100000000 ] - [ 0.0046501600000000, 0.0010338400000000, -0.0001449100000000 ] - [ -0.0024015200000000, 0.0012339900000000, 0.0006140900000000 ] - [ 0.0021973800000000, 0.0010238300000000, 0.0009616900000000 ] - [ -0.0017571600000000, -0.0009108800000000, -0.0012522100000000 ] - [ 0.0014107500000000, -0.0007939300000000, 0.0012137600000000 ] - [ -0.0002948500000000, -0.0004242300000000, -0.0065867000000000 ] - [ 0.0033089200000000, -0.0016448600000000, 0.0055815300000000 ] - [ -0.0167299300000000, -0.0014945800000000, -0.0059780100000000 ] - [ 0.0029250600000000, 0.0003830500000000, 0.0016279700000000 ] - [ -0.0042376200000000, -0.0029240900000000, 0.0017907300000000 ] - [ 0.0024541300000000, 0.0013981200000000, -0.0008147400000000 ] - [ 0.0019367800000000, 0.0009077700000000, -0.0024506600000000 ] - [ -0.0005386100000000, -0.0022870400000000, 0.0029695300000000 ] - [ 0.0106125700000000, 0.0144785100000000, -0.0131376800000000 ] - [ 0.0061301200000000, -0.0015242200000000, 0.0029250900000000 ]- atom: 121 displacement: [ -0.0099999999206514, 0.0000000000000000, -0.0000012597509720 ] forces: - [ -0.0006918200000000, 0.0004503800000000, -0.0018346800000000 ] - [ 0.0007904800000000, -0.0001849600000000, 0.0014132000000000 ] - [ -0.0018747600000000, -0.0001332200000000, -0.0004223200000000 ] - [ 0.0010892400000000, 0.0001334200000000, -0.0002645400000000 ] - [ 0.0026733200000000, 0.0048679600000000, -0.0021668300000000 ] - [ 0.0012181100000000, -0.0019491500000000, 0.0007795500000000 ] - [ -0.0141887600000000, -0.0064675200000000, 0.0059913600000000 ] - [ 0.0020419800000000, -0.0001237500000000, -0.0003863500000000 ] - [ 0.0004747500000000, -0.0008278100000000, -0.0002694900000000 ] - [ -0.0008896000000000, -0.0003480500000000, -0.0003752100000000 ] - [ 0.0005927900000000, -0.0012901900000000, -0.0023156400000000 ] - [ 0.0006447200000000, 0.0002924600000000, 0.0027230200000000 ] - [ -0.0039274700000000, 0.0028250000000000, 0.0036330100000000 ] - [ 0.0010743900000000, 0.0004736000000000, 0.0003335600000000 ] - [ 0.0052178400000000, 0.0045368100000000, 0.0028802500000000 ] - [ 0.0042484800000000, -0.0016949000000000, -0.0003827200000000 ] - [ -0.0144794900000000, -0.0020333100000000, -0.0000148100000000 ] - [ 0.0039698900000000, 0.0003601100000000, 0.0005023300000000 ] - [ -0.0063746400000000, 0.0018369800000000, 0.0019851100000000 ] - [ 0.0014518000000000, -0.0000989600000000, 0.0004427200000000 ] - [ -0.0013665500000000, -0.0003085800000000, -0.0011919300000000 ] - [ 0.0004775500000000, 0.0000933400000000, 0.0013965100000000 ] - [ -0.0021140500000000, 0.0008034300000000, -0.0037923400000000 ] - [ 0.0020668100000000, -0.0003742500000000, 0.0012570800000000 ] - [ -0.0031866100000000, -0.0051264000000000, 0.0028719400000000 ] - [ 0.0013697200000000, 0.0005507700000000, -0.0009440400000000 ] - [ -0.0004000900000000, -0.0002010700000000, -0.0003050500000000 ] - [ 0.0002030400000000, 0.0001573200000000, 0.0011559700000000 ] - [ 0.0005698000000000, 0.0036991200000000, 0.0005798000000000 ] - [ 0.0013342100000000, -0.0001342200000000, 0.0003390700000000 ] - [ 0.0044035600000000, 0.0002872700000000, -0.0028601800000000 ] - [ 0.0050871700000000, -0.0043139700000000, 0.0011151900000000 ] - [ -0.0231100800000000, 0.0087454700000000, 0.0086156100000000 ] - [ 0.0034284900000000, 0.0003119700000000, 0.0009914500000000 ] - [ 0.0023296500000000, -0.0007245400000000, -0.0038887700000000 ] - [ 0.0043080200000000, -0.0022148400000000, 0.0047263300000000 ] - [ 0.0005169100000000, 0.0003292700000000, 0.0004866500000000 ] - [ 0.0012604000000000, 0.0005750400000000, 0.0003847400000000 ] - [ -0.0180668300000000, -0.0013219900000000, -0.0143269400000000 ] - [ 0.0028960600000000, 0.0006496500000000, -0.0003542200000000 ] - [ -0.0234307800000000, -0.0052874800000000, -0.0212861400000000 ] - [ 0.0015495800000000, 0.0004340700000000, -0.0001763700000000 ] - [ -0.0010016200000000, -0.0004316400000000, -0.0005701700000000 ] - [ 0.0009516700000000, 0.0006995500000000, 0.0014703200000000 ] - [ -0.0006748400000000, -0.0020364100000000, -0.0007664500000000 ] - [ 0.0011824800000000, -0.0001435700000000, 0.0013797000000000 ] - [ 0.0001777000000000, -0.0009475300000000, -0.0037373800000000 ] - [ 0.0037019800000000, 0.0016389900000000, 0.0058028100000000 ] - [ -0.0023219400000000, 0.0011830700000000, 0.0063388400000000 ] - [ 0.0005872500000000, -0.0007457900000000, -0.0003328500000000 ] - [ 0.0002832500000000, -0.0000891200000000, -0.0012067500000000 ] - [ 0.0001477000000000, -0.0004139000000000, 0.0006870400000000 ] - [ -0.0005650000000000, -0.0001051500000000, 0.0005563100000000 ] - [ 0.0015032200000000, 0.0002621600000000, -0.0000676300000000 ] - [ 0.0054409600000000, 0.0001455100000000, -0.0019335700000000 ] - [ 0.0089062600000000, 0.0054552500000000, 0.0022539900000000 ] - [ -0.0127922200000000, -0.0014827000000000, 0.0014299200000000 ] - [ 0.0021373200000000, 0.0004296100000000, 0.0002700600000000 ] - [ 0.0025794200000000, -0.0045514700000000, -0.0034090000000000 ] - [ 0.0015172600000000, 0.0024931900000000, 0.0012410000000000 ] - [ -0.0038387100000000, 0.0006892500000000, -0.0003661100000000 ] - [ 0.0011076900000000, -0.0003529600000000, 0.0000103700000000 ] - [ 0.0005328600000000, -0.0004991500000000, -0.0019700700000000 ] - [ 0.0009445300000000, -0.0001331400000000, 0.0017486500000000 ] - [ -0.0005209300000000, -0.0000395100000000, -0.0003267900000000 ] - [ -0.0012623900000000, -0.0007553200000000, 0.0016656700000000 ] - [ 0.0012124000000000, 0.0018675600000000, -0.0033457600000000 ] - [ 0.0005578900000000, -0.0012033300000000, 0.0016974700000000 ] - [ -0.0039251600000000, -0.0006724400000000, 0.0007934600000000 ] - [ 0.0013881900000000, 0.0002484100000000, 0.0000826500000000 ] - [ 0.0038555600000000, -0.0055003600000000, 0.0041001700000000 ] - [ 0.0032344800000000, 0.0025448200000000, -0.0003769400000000 ] - [ -0.0031616600000000, -0.0004650800000000, -0.0042469900000000 ] - [ 0.0008214400000000, -0.0002247600000000, 0.0015862500000000 ] - [ -0.0000228200000000, -0.0001989100000000, -0.0014850000000000 ] - [ 0.0012516900000000, 0.0000427700000000, 0.0009602400000000 ] - [ -0.0050560500000000, -0.0002145000000000, 0.0003164000000000 ] - [ 0.0023574200000000, 0.0002171800000000, 0.0001221500000000 ] - [ 0.0005957700000000, -0.0000900700000000, -0.0001504900000000 ] - [ -0.0002675400000000, -0.0007690100000000, 0.0006869000000000 ] - [ 0.0005754100000000, 0.0001304200000000, -0.0007729000000000 ] - [ 0.0001609000000000, 0.0002770300000000, 0.0001778900000000 ] - [ -0.0138127300000000, -0.0011502700000000, 0.0036578300000000 ] - [ 0.0015692800000000, 0.0003547600000000, 0.0003406800000000 ] - [ -0.0009434000000000, 0.0007206400000000, 0.0006249700000000 ] - [ 0.0006448500000000, -0.0000948100000000, -0.0004713500000000 ] - [ -0.0020211500000000, 0.0006559300000000, -0.0016830900000000 ] - [ 0.0005903300000000, -0.0004762600000000, 0.0008074100000000 ] - [ 0.0051252400000000, 0.0000572400000000, 0.0002429700000000 ] - [ -0.0024237700000000, -0.0008979600000000, 0.0006224700000000 ] - [ 0.0002110500000000, 0.0007765400000000, 0.0020974600000000 ] - [ -0.0012219200000000, -0.0000983400000000, -0.0003225900000000 ] - [ -0.0014117400000000, -0.0014998700000000, 0.0009792200000000 ] - [ -0.0023508400000000, -0.0003547400000000, 0.0002150900000000 ] - [ -0.0050573900000000, 0.0000724300000000, 0.0040173300000000 ] - [ -0.0201746800000000, -0.0020550100000000, -0.0196482000000000 ] - [ -0.0181418600000000, 0.0155695100000000, 0.0031516200000000 ] - [ -0.0090409500000000, -0.0060237100000000, -0.0004318500000000 ] - [ 0.0085741300000000, 0.0051403200000000, -0.0047135900000000 ] - [ -0.0024378400000000, -0.0004380600000000, -0.0007470700000000 ] - [ 0.0009105700000000, 0.0002925700000000, 0.0032891600000000 ] - [ -0.0003366700000000, 0.0005261300000000, -0.0026901500000000 ] - [ 0.0060357000000000, -0.0008946300000000, 0.0004062300000000 ] - [ -0.0020221800000000, 0.0002486900000000, -0.0012211300000000 ] - [ -0.0165615400000000, -0.0117443300000000, 0.0036483000000000 ] - [ -0.0069597300000000, 0.0042501300000000, -0.0002447500000000 ] - [ 0.0087221200000000, -0.0099559200000000, -0.0069196400000000 ] - [ -0.0024377000000000, 0.0013279100000000, -0.0003283200000000 ] - [ -0.0038085400000000, 0.0082550600000000, -0.0212577300000000 ] - [ -0.0024270700000000, 0.0005131400000000, 0.0000118400000000 ] - [ 0.0014732200000000, -0.0008688300000000, 0.0027350300000000 ] - [ -0.0006126800000000, -0.0010781500000000, -0.0032832100000000 ] - [ 0.0089518100000000, 0.0038158600000000, 0.0071392900000000 ] - [ -0.0024091200000000, 0.0000934100000000, -0.0016728000000000 ] - [ 0.0056477700000000, -0.0151025700000000, -0.0046813300000000 ] - [ -0.0034874500000000, 0.0010723300000000, 0.0009725400000000 ] - [ -0.0019579800000000, 0.0005380600000000, 0.0032057000000000 ] - [ -0.0003507100000000, -0.0027884100000000, -0.0032808600000000 ] - [ -0.0036021000000000, 0.0150222000000000, 0.0118921600000000 ] - [ -0.0046930000000000, -0.0010634000000000, -0.0030791700000000 ] - [ 0.1361412400000000, 0.0142840400000000, 0.0157193900000000 ] - [ -0.0049697100000000, 0.0008663300000000, -0.0005657100000000 ] - [ 0.0027037400000000, 0.0006639300000000, 0.0001019200000000 ] - [ -0.0018718500000000, 0.0008698400000000, -0.0002426900000000 ] - [ 0.0020748100000000, -0.0009866900000000, 0.0019545600000000 ] - [ -0.0010895400000000, -0.0011014800000000, -0.0004918100000000 ] - [ -0.0000282400000000, -0.0014740900000000, 0.0058714000000000 ] - [ -0.0036285500000000, -0.0002513500000000, -0.0063003000000000 ] - [ 0.0171115700000000, 0.0017194600000000, 0.0057004000000000 ] - [ -0.0025054300000000, -0.0001138200000000, -0.0019955500000000 ] - [ 0.0037721100000000, 0.0031814700000000, -0.0014356200000000 ] - [ -0.0028729600000000, -0.0011398400000000, 0.0011750000000000 ] - [ -0.0023648900000000, -0.0011663200000000, 0.0027955100000000 ] - [ 0.0001349800000000, 0.0020294900000000, -0.0026147100000000 ] - [ -0.0101597500000000, -0.0148639600000000, 0.0128416600000000 ] - [ -0.0056879800000000, 0.0012521600000000, -0.0032532700000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009062100000000, 0.0011652400000000, 0.0015608500000000 ] - [ -0.0002718300000000, 0.0007449500000000, -0.0003602000000000 ] - [ 0.0001886800000000, -0.0025345400000000, 0.0022108900000000 ] - [ -0.0000728600000000, -0.0007340600000000, -0.0003189900000000 ] - [ -0.0031027300000000, -0.0054255700000000, 0.0017661500000000 ] - [ 0.0010713000000000, -0.0007353600000000, 0.0000521000000000 ] - [ 0.0052426500000000, 0.0354919700000000, -0.0062854600000000 ] - [ 0.0002844800000000, 0.0002634500000000, 0.0000202600000000 ] - [ 0.0012579200000000, -0.0007500200000000, 0.0006141100000000 ] - [ -0.0008864300000000, -0.0005720900000000, -0.0028799200000000 ] - [ 0.0014110300000000, -0.0014101300000000, -0.0007504500000000 ] - [ -0.0026304000000000, -0.0007589300000000, -0.0022417300000000 ] - [ -0.0039434800000000, -0.0044406300000000, -0.0079012200000000 ] - [ -0.0000554300000000, 0.0004475600000000, 0.0004521900000000 ] - [ -0.0051618000000000, -0.0011156300000000, -0.0031911300000000 ] - [ 0.0037537500000000, 0.0005927800000000, 0.0004897000000000 ] - [ 0.0004834200000000, 0.0096359300000000, 0.0010623200000000 ] - [ 0.0013278300000000, 0.0009648200000000, -0.0001220900000000 ] - [ 0.0048417000000000, -0.0102982700000000, -0.0006802700000000 ] - [ -0.0006218600000000, -0.0004979000000000, 0.0000172000000000 ] - [ -0.0007784100000000, -0.0009923100000000, 0.0000794700000000 ] - [ -0.0007172000000000, -0.0007660900000000, 0.0005949700000000 ] - [ 0.0005536500000000, 0.0006664100000000, 0.0027553000000000 ] - [ 0.0002171000000000, 0.0004515700000000, -0.0000838000000000 ] - [ 0.0018389900000000, 0.0037100800000000, 0.0014670600000000 ] - [ -0.0000773500000000, 0.0007098400000000, -0.0007390800000000 ] - [ 0.0001246300000000, -0.0019197700000000, 0.0008440900000000 ] - [ 0.0001994900000000, -0.0009146600000000, 0.0000317400000000 ] - [ -0.0052621400000000, -0.0117132900000000, 0.0020810600000000 ] - [ 0.0001551800000000, -0.0012103400000000, 0.0006138100000000 ] - [ -0.0058648200000000, 0.0031281900000000, 0.0014613900000000 ] - [ 0.0003923600000000, 0.0028548400000000, 0.0004704400000000 ] - [ -0.0092558900000000, 0.0197342200000000, 0.0094902500000000 ] - [ -0.0018478900000000, 0.0006976900000000, -0.0001561400000000 ] - [ -0.0016139800000000, 0.0020964400000000, 0.0007088100000000 ] - [ -0.0022806500000000, 0.0022977000000000, -0.0014307100000000 ] - [ 0.0008022000000000, -0.0021008800000000, 0.0000846400000000 ] - [ 0.0002145100000000, -0.0018869800000000, 0.0000848300000000 ] - [ -0.0006609400000000, 0.0101274800000000, -0.0047473700000000 ] - [ -0.0001571600000000, 0.0020854100000000, -0.0007879400000000 ] - [ 0.0069451400000000, 0.0136033600000000, 0.0076155400000000 ] - [ -0.0002428600000000, 0.0016669400000000, -0.0006032000000000 ] - [ 0.0004341800000000, -0.0035066500000000, -0.0000767500000000 ] - [ -0.0000028300000000, -0.0004369400000000, 0.0003570200000000 ] - [ 0.0011720900000000, -0.0054546400000000, -0.0004217500000000 ] - [ -0.0000748700000000, -0.0017420900000000, 0.0004969200000000 ] - [ 0.0005441200000000, 0.0015021600000000, -0.0010350200000000 ] - [ -0.0005698400000000, 0.0010015100000000, -0.0014723000000000 ] - [ -0.0006921700000000, 0.0013649200000000, -0.0021604900000000 ] - [ -0.0008341400000000, 0.0010018900000000, 0.0008160900000000 ] - [ -0.0006290300000000, -0.0019515800000000, 0.0002406400000000 ] - [ -0.0003137300000000, -0.0014704500000000, 0.0004393700000000 ] - [ 0.0049073000000000, -0.0086485700000000, -0.0005337900000000 ] - [ -0.0000151100000000, -0.0006825200000000, -0.0004209000000000 ] - [ 0.0063045200000000, 0.0042736500000000, -0.0008918400000000 ] - [ -0.0028147600000000, 0.0025573100000000, -0.0021144100000000 ] - [ 0.0021007200000000, 0.0055304500000000, -0.0008983000000000 ] - [ -0.0003786400000000, 0.0005402800000000, 0.0004451800000000 ] - [ 0.0043360200000000, -0.0057210400000000, -0.0026979600000000 ] - [ -0.0013423600000000, -0.0004311400000000, -0.0007361200000000 ] - [ 0.0003998300000000, -0.0012555200000000, -0.0050409400000000 ] - [ -0.0002540100000000, -0.0004480600000000, -0.0002174200000000 ] - [ 0.0014202100000000, -0.0005828100000000, -0.0012666400000000 ] - [ -0.0001154600000000, -0.0001627700000000, 0.0001073700000000 ] - [ -0.0003663100000000, 0.0000717800000000, -0.0008657300000000 ] - [ 0.0015570900000000, 0.0002189300000000, 0.0021169000000000 ] - [ -0.0011895400000000, -0.0023041800000000, 0.0008892200000000 ] - [ 0.0009130200000000, -0.0006954100000000, 0.0010810200000000 ] - [ 0.0027950000000000, -0.0040059700000000, 0.0072099000000000 ] - [ -0.0004473700000000, 0.0000712000000000, -0.0005356300000000 ] - [ 0.0064858100000000, -0.0025389400000000, 0.0048400100000000 ] - [ -0.0025311300000000, -0.0004530900000000, -0.0004966000000000 ] - [ 0.0001908000000000, 0.0024379000000000, -0.0019810100000000 ] - [ -0.0005511900000000, 0.0008971400000000, -0.0000276000000000 ] - [ 0.0010728000000000, -0.0017482500000000, -0.0004001100000000 ] - [ 0.0005444300000000, -0.0011835500000000, -0.0006004200000000 ] - [ -0.0048242100000000, -0.0099514600000000, 0.0025174100000000 ] - [ 0.0004314500000000, -0.0006291200000000, -0.0000320800000000 ] - [ -0.0001891800000000, -0.0015561700000000, 0.0002319000000000 ] - [ -0.0001371400000000, -0.0021011100000000, 0.0008645300000000 ] - [ 0.0002497200000000, -0.0019785900000000, -0.0001901400000000 ] - [ 0.0000125800000000, -0.0018245300000000, -0.0000638800000000 ] - [ 0.0013149200000000, 0.0137952500000000, -0.0003395500000000 ] - [ -0.0002399300000000, 0.0015831400000000, 0.0003956100000000 ] - [ -0.0000014500000000, -0.0038707500000000, -0.0008978700000000 ] - [ 0.0000355500000000, -0.0010822800000000, -0.0001684900000000 ] - [ -0.0002707300000000, 0.0039011100000000, -0.0017507100000000 ] - [ -0.0001968200000000, 0.0007309900000000, -0.0000075600000000 ] - [ -0.0015153000000000, 0.0000002000000000, -0.0030402700000000 ] - [ -0.0003367000000000, -0.0008575200000000, 0.0023484400000000 ] - [ 0.0000101700000000, 0.0045361900000000, 0.0010320300000000 ] - [ -0.0002899200000000, 0.0023006900000000, 0.0006810900000000 ] - [ -0.0013095700000000, 0.0110641600000000, 0.0021518000000000 ] - [ -0.0009380200000000, 0.0024358100000000, 0.0007674300000000 ] - [ 0.0001868800000000, -0.0079944500000000, 0.0011765000000000 ] - [ 0.0019906300000000, -0.0084637100000000, 0.0016237700000000 ] - [ -0.0237938100000000, 0.0081613100000000, -0.0005890300000000 ] - [ 0.0026384900000000, 0.0001832600000000, 0.0015259800000000 ] - [ -0.0017850800000000, 0.0279738900000000, -0.0127665600000000 ] - [ 0.0008785500000000, 0.0003182200000000, -0.0000650700000000 ] - [ 0.0006218400000000, 0.0027269400000000, -0.0008683000000000 ] - [ 0.0007717000000000, 0.0012603600000000, -0.0011992600000000 ] - [ -0.0009418300000000, -0.0019447800000000, 0.0036376900000000 ] - [ -0.0000983400000000, -0.0008753500000000, -0.0011382300000000 ] - [ 0.0178894200000000, 0.0095093900000000, -0.0011705000000000 ] - [ -0.0029138900000000, 0.0001380600000000, -0.0013337300000000 ] - [ 0.0053683800000000, 0.0351623800000000, 0.0077736300000000 ] - [ 0.0004399700000000, 0.0013388100000000, -0.0007625100000000 ] - [ 0.0012568000000000, -0.0111130100000000, 0.0031881400000000 ] - [ 0.0019832400000000, -0.0018310400000000, -0.0008061000000000 ] - [ 0.0007573500000000, -0.0000486500000000, -0.0000482600000000 ] - [ 0.0008824600000000, -0.0005759200000000, 0.0015899800000000 ] - [ 0.0000983000000000, 0.0062359400000000, 0.0140453700000000 ] - [ 0.0000858300000000, 0.0000366400000000, 0.0001161400000000 ] - [ 0.0118241500000000, 0.0135251200000000, 0.0140550700000000 ] - [ -0.0016070100000000, 0.0006753900000000, 0.0001475800000000 ] - [ -0.0022962000000000, 0.0009909500000000, 0.0012922500000000 ] - [ 0.0037531200000000, 0.0012695000000000, 0.0034276200000000 ] - [ -0.0136706500000000, 0.0005230600000000, 0.0123532400000000 ] - [ 0.0033321500000000, -0.0009993000000000, 0.0013431900000000 ] - [ -0.0134431700000000, -0.1448268800000000, -0.0116363200000000 ] - [ -0.0000742300000000, -0.0012652700000000, -0.0004361500000000 ] - [ -0.0001035800000000, 0.0120311000000000, -0.0001468200000000 ] - [ 0.0000779900000000, 0.0035421300000000, 0.0004502700000000 ] - [ 0.0001947000000000, 0.0045694100000000, 0.0015682200000000 ] - [ 0.0003132300000000, 0.0011484300000000, 0.0002629700000000 ] - [ -0.0006869300000000, -0.0059094200000000, -0.0000851500000000 ] - [ 0.0005390100000000, -0.0032494400000000, 0.0004875000000000 ] - [ -0.0028369300000000, -0.0047548500000000, -0.0171359600000000 ] - [ 0.0007095300000000, -0.0008884600000000, 0.0005766600000000 ] - [ -0.0034588100000000, 0.0076067400000000, -0.0051532100000000 ] - [ 0.0011459500000000, 0.0020713700000000, 0.0000927700000000 ] - [ 0.0014852800000000, 0.0018684200000000, -0.0005542900000000 ] - [ -0.0039839800000000, 0.0022248900000000, -0.0027057700000000 ] - [ 0.0163694200000000, -0.0030161000000000, -0.0114592000000000 ] - [ -0.0026544700000000, -0.0022354600000000, -0.0026712400000000 ]- atom: 121 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005952900000000, -0.0010762500000000, -0.0014506500000000 ] - [ -0.0000448700000000, -0.0006539200000000, 0.0004768100000000 ] - [ 0.0001293800000000, 0.0026156500000000, -0.0023458600000000 ] - [ 0.0003898000000000, 0.0008140500000000, 0.0001999900000000 ] - [ 0.0034265600000000, 0.0053842200000000, -0.0018794200000000 ] - [ -0.0007517900000000, 0.0006638800000000, -0.0001712100000000 ] - [ -0.0065032900000000, -0.0378961300000000, 0.0071514700000000 ] - [ -0.0006030400000000, -0.0003506700000000, 0.0000984600000000 ] - [ -0.0000501500000000, -0.0005441600000000, -0.0012149600000000 ] - [ 0.0020939300000000, -0.0007262200000000, 0.0022891300000000 ] - [ -0.0026142800000000, 0.0001221100000000, 0.0013407200000000 ] - [ 0.0014135900000000, -0.0005237200000000, 0.0028282800000000 ] - [ 0.0027578200000000, 0.0057599600000000, 0.0085776500000000 ] - [ -0.0011537100000000, 0.0008409200000000, 0.0001442400000000 ] - [ 0.0063633000000000, 0.0024207900000000, 0.0025976900000000 ] - [ -0.0025387400000000, 0.0007115500000000, -0.0010852600000000 ] - [ 0.0011749900000000, -0.0088756100000000, -0.0018758300000000 ] - [ -0.0001524700000000, -0.0006794900000000, -0.0003244500000000 ] - [ -0.0060548400000000, 0.0106324000000000, 0.0011377700000000 ] - [ -0.0005565400000000, 0.0007786900000000, 0.0004324700000000 ] - [ -0.0003985800000000, 0.0007163000000000, 0.0003661300000000 ] - [ -0.0004600800000000, 0.0004875300000000, -0.0001433900000000 ] - [ 0.0006312500000000, -0.0009614000000000, -0.0032111300000000 ] - [ 0.0009628200000000, -0.0007390500000000, -0.0003697400000000 ] - [ -0.0018471400000000, -0.0038414700000000, -0.0024556000000000 ] - [ 0.0000784200000000, -0.0008084600000000, -0.0002362700000000 ] - [ -0.0001338500000000, 0.0018382300000000, 0.0001343200000000 ] - [ -0.0002048600000000, 0.0008265500000000, 0.0009427800000000 ] - [ 0.0052724200000000, 0.0118137400000000, -0.0011222700000000 ] - [ -0.0001653800000000, 0.0013012500000000, 0.0003626800000000 ] - [ 0.0058776000000000, -0.0030389400000000, -0.0024350400000000 ] - [ -0.0004227000000000, -0.0027207000000000, -0.0014399500000000 ] - [ 0.0089399100000000, -0.0202604600000000, -0.0099018400000000 ] - [ 0.0007653900000000, -0.0005174500000000, 0.0004755500000000 ] - [ 0.0010782600000000, -0.0029563600000000, -0.0013211200000000 ] - [ 0.0017810800000000, -0.0031678700000000, 0.0008282100000000 ] - [ -0.0002903700000000, 0.0029534900000000, 0.0005346800000000 ] - [ 0.0003268100000000, 0.0027352900000000, 0.0005345500000000 ] - [ 0.0002344100000000, -0.0093839000000000, 0.0043240200000000 ] - [ -0.0003699800000000, -0.0012384000000000, 0.0001692600000000 ] - [ -0.0072604100000000, -0.0127620600000000, -0.0086295300000000 ] - [ -0.0000189000000000, -0.0006787600000000, -0.0003696200000000 ] - [ -0.0001795500000000, 0.0044925000000000, 0.0010598500000000 ] - [ 0.0002622900000000, 0.0014222600000000, 0.0006130400000000 ] - [ -0.0009077500000000, 0.0044782700000000, 0.0013793300000000 ] - [ 0.0003309100000000, 0.0007599600000000, 0.0004726700000000 ] - [ -0.0007999100000000, -0.0024934300000000, 0.0000659900000000 ] - [ 0.0002714100000000, -0.0020138900000000, 0.0004723600000000 ] - [ 0.0004868700000000, -0.0020664700000000, 0.0023515200000000 ] - [ 0.0006324100000000, -0.0017093200000000, -0.0006647700000000 ] - [ 0.0008280800000000, 0.0012418200000000, -0.0003925200000000 ] - [ 0.0005121600000000, 0.0007617200000000, -0.0005982000000000 ] - [ -0.0046905400000000, 0.0093414400000000, 0.0003664000000000 ] - [ 0.0002116800000000, 0.0013953600000000, 0.0002689300000000 ] - [ -0.0065135300000000, -0.0035754100000000, 0.0010532800000000 ] - [ 0.0025876500000000, -0.0018927500000000, 0.0022872300000000 ] - [ -0.0020524100000000, -0.0036596300000000, 0.0017272700000000 ] - [ 0.0007473500000000, 0.0001225900000000, 0.0001236300000000 ] - [ -0.0046927500000000, 0.0063370300000000, 0.0021393900000000 ] - [ 0.0009758800000000, 0.0010794800000000, 0.0001669000000000 ] - [ -0.0007686200000000, 0.0006136700000000, 0.0044456300000000 ] - [ -0.0001156200000000, -0.0002065000000000, -0.0003533200000000 ] - [ -0.0010533800000000, -0.0000837900000000, 0.0018368400000000 ] - [ 0.0004834400000000, -0.0005049900000000, 0.0004589700000000 ] - [ 0.0003042700000000, -0.0005297900000000, 0.0013846400000000 ] - [ -0.0016237900000000, -0.0006686200000000, -0.0016024400000000 ] - [ 0.0012533300000000, 0.0018366100000000, -0.0014074700000000 ] - [ -0.0008596700000000, 0.0002239800000000, -0.0016056800000000 ] - [ -0.0027251800000000, 0.0044576000000000, -0.0076470100000000 ] - [ 0.0005085900000000, 0.0003988500000000, 0.0000210500000000 ] - [ -0.0065955300000000, 0.0030027700000000, -0.0043302500000000 ] - [ 0.0024724200000000, 0.0009102100000000, 0.0010206500000000 ] - [ -0.0012688700000000, -0.0026079800000000, 0.0023142800000000 ] - [ -0.0005256000000000, -0.0010776100000000, 0.0003442400000000 ] - [ 0.0000070600000000, 0.0015615500000000, 0.0000772000000000 ] - [ 0.0005335400000000, 0.0009985000000000, 0.0002816200000000 ] - [ 0.0058671400000000, 0.0101005700000000, -0.0028276200000000 ] - [ 0.0006471600000000, 0.0008166100000000, -0.0002878700000000 ] - [ 0.0007164300000000, 0.0007099500000000, 0.0003834600000000 ] - [ 0.0006658900000000, 0.0012531400000000, -0.0002361900000000 ] - [ -0.0000716400000000, 0.0022456200000000, -0.0001777400000000 ] - [ 0.0001738300000000, 0.0020907600000000, -0.0003021100000000 ] - [ -0.0015984900000000, -0.0134903200000000, 0.0007853400000000 ] - [ 0.0000604100000000, -0.0013182200000000, -0.0000274400000000 ] - [ 0.0001812900000000, 0.0036086000000000, 0.0005229400000000 ] - [ 0.0001460400000000, 0.0008177100000000, -0.0002002600000000 ] - [ 0.0001030300000000, -0.0041772900000000, 0.0021122600000000 ] - [ 0.0000143000000000, -0.0009997500000000, 0.0003781000000000 ] - [ 0.0000911900000000, -0.0016332400000000, 0.0039615600000000 ] - [ -0.0010844400000000, -0.0007835000000000, -0.0014464400000000 ] - [ -0.0014778500000000, -0.0039243500000000, 0.0003615200000000 ] - [ -0.0011814100000000, -0.0016865700000000, 0.0007304800000000 ] - [ -0.0001949000000000, -0.0116959100000000, -0.0007220700000000 ] - [ -0.0005203500000000, -0.0030585300000000, 0.0006398300000000 ] - [ 0.0012823700000000, 0.0073825000000000, -0.0025878600000000 ] - [ -0.0003326400000000, 0.0078596500000000, -0.0029756200000000 ] - [ 0.0228949300000000, -0.0087549200000000, 0.0011402100000000 ] - [ -0.0036176100000000, -0.0007555700000000, -0.0009096300000000 ] - [ 0.0027318100000000, -0.0282921500000000, 0.0120752700000000 ] - [ 0.0001139300000000, -0.0009204200000000, -0.0005585800000000 ] - [ 0.0003684700000000, -0.0021251000000000, 0.0002504600000000 ] - [ 0.0002203600000000, -0.0006578700000000, 0.0005851100000000 ] - [ -0.0000467500000000, 0.0025032700000000, -0.0030202300000000 ] - [ -0.0008907200000000, 0.0014659000000000, 0.0017672200000000 ] - [ -0.0192888400000000, -0.0078632400000000, 0.0020245900000000 ] - [ 0.0015001500000000, 0.0014878400000000, 0.0022260500000000 ] - [ -0.0040537400000000, -0.0338452400000000, -0.0087168000000000 ] - [ 0.0009842200000000, 0.0003146800000000, -0.0001424200000000 ] - [ 0.0001851100000000, 0.0118052400000000, -0.0046883600000000 ] - [ -0.0005017100000000, 0.0024516100000000, -0.0005981100000000 ] - [ 0.0006673500000000, -0.0016156800000000, -0.0008497600000000 ] - [ 0.0005369600000000, -0.0010822200000000, -0.0024868500000000 ] - [ 0.0002108100000000, -0.0057400900000000, -0.0142499200000000 ] - [ 0.0001917900000000, 0.0004342800000000, -0.0002628600000000 ] - [ -0.0119643100000000, -0.0130208400000000, -0.0137657100000000 ] - [ 0.0013325200000000, -0.0002200700000000, 0.0000002500000000 ] - [ 0.0020216500000000, -0.0014484300000000, -0.0011426400000000 ] - [ -0.0040514600000000, -0.0017078300000000, -0.0033044200000000 ] - [ 0.0138745200000000, -0.0010890100000000, -0.0124447200000000 ] - [ -0.0030588700000000, 0.0005258800000000, -0.0014898800000000 ] - [ 0.0131757700000000, 0.1483421800000000, 0.0106941300000000 ] - [ -0.0002414500000000, 0.0031633500000000, -0.0002793900000000 ] - [ 0.0004661700000000, -0.0101421500000000, 0.0008291900000000 ] - [ 0.0002316000000000, -0.0016462400000000, 0.0002606100000000 ] - [ 0.0001189900000000, -0.0064710700000000, -0.0008366300000000 ] - [ 0.0000053200000000, -0.0030475100000000, 0.0004482900000000 ] - [ 0.0003631300000000, 0.0040264600000000, -0.0006338300000000 ] - [ -0.0008540600000000, 0.0013543600000000, -0.0011957100000000 ] - [ 0.0032541900000000, 0.0049090000000000, 0.0167927400000000 ] - [ -0.0002854100000000, 0.0011484600000000, -0.0009350100000000 ] - [ 0.0030692600000000, -0.0073598400000000, 0.0055514300000000 ] - [ -0.0015755700000000, -0.0018001300000000, 0.0002618700000000 ] - [ -0.0019107200000000, -0.0021414000000000, 0.0009084200000000 ] - [ 0.0035317800000000, -0.0025062700000000, 0.0030358800000000 ] - [ -0.0160172900000000, 0.0028524700000000, 0.0111488000000000 ] - [ 0.0030866600000000, 0.0019896900000000, 0.0023317100000000 ]- atom: 121 displacement: [ -0.0050436217710434, 0.0000000000000000, 0.0086349220859633 ] forces: - [ 0.0032986300000000, 0.0008279600000000, -0.0048190200000000 ] - [ -0.0010169100000000, 0.0000113400000000, -0.0004659600000000 ] - [ -0.0003796900000000, 0.0021086800000000, -0.0006664300000000 ] - [ 0.0006430300000000, -0.0000905400000000, -0.0009248300000000 ] - [ 0.0040936400000000, 0.0055457100000000, -0.0014408200000000 ] - [ -0.0004577600000000, 0.0003860500000000, 0.0012238500000000 ] - [ -0.0108235000000000, -0.0071606600000000, 0.0155238200000000 ] - [ 0.0006513800000000, -0.0002210000000000, 0.0002672200000000 ] - [ 0.0009569600000000, 0.0002685100000000, -0.0034754600000000 ] - [ -0.0014596400000000, -0.0012825700000000, -0.0027307800000000 ] - [ 0.0018938700000000, -0.0013574000000000, -0.0030178800000000 ] - [ -0.0027689300000000, -0.0012478400000000, -0.0003860800000000 ] - [ -0.0034742900000000, -0.0008951100000000, 0.0065850400000000 ] - [ 0.0005878600000000, 0.0004434400000000, 0.0000706400000000 ] - [ 0.0032560100000000, 0.0029721100000000, 0.0079150600000000 ] - [ 0.0043136100000000, -0.0007908400000000, 0.0025416700000000 ] - [ -0.0073338200000000, -0.0011530300000000, 0.0129935500000000 ] - [ 0.0007864000000000, 0.0003765500000000, 0.0005309400000000 ] - [ -0.0049122000000000, 0.0015192700000000, 0.0045419100000000 ] - [ 0.0004352300000000, 0.0000005700000000, 0.0005693200000000 ] - [ 0.0006725300000000, 0.0000833900000000, -0.0019698700000000 ] - [ -0.0018373100000000, -0.0002479200000000, -0.0004549300000000 ] - [ 0.0013060600000000, 0.0013362500000000, -0.0049760400000000 ] - [ 0.0000180600000000, 0.0000464800000000, -0.0006576000000000 ] - [ -0.0010849900000000, 0.0042737100000000, -0.0042329400000000 ] - [ 0.0013929400000000, 0.0004618500000000, -0.0014582400000000 ] - [ 0.0007989200000000, 0.0007989800000000, -0.0013544800000000 ] - [ -0.0003167400000000, -0.0001277100000000, 0.0002431600000000 ] - [ 0.0011017300000000, 0.0042500000000000, 0.0016491700000000 ] - [ 0.0004372900000000, -0.0000405100000000, 0.0006015100000000 ] - [ 0.0057070200000000, 0.0004129300000000, -0.0024931700000000 ] - [ -0.0057701800000000, 0.0034307600000000, 0.0021935300000000 ] - [ -0.0201295400000000, 0.0122429300000000, 0.0211998600000000 ] - [ 0.0004185900000000, -0.0001168600000000, 0.0005801500000000 ] - [ 0.0038914300000000, -0.0008410700000000, -0.0041888000000000 ] - [ -0.0063015000000000, 0.0017594000000000, -0.0026834100000000 ] - [ -0.0000744700000000, 0.0005026600000000, 0.0014479800000000 ] - [ 0.0017353500000000, 0.0004341700000000, 0.0008773000000000 ] - [ 0.0025325700000000, -0.0009684700000000, 0.0270865300000000 ] - [ 0.0024917700000000, 0.0007063700000000, -0.0009039700000000 ] - [ 0.0049825600000000, 0.0029297400000000, 0.0162373200000000 ] - [ 0.0013050900000000, 0.0004392900000000, -0.0006310000000000 ] - [ -0.0000354200000000, -0.0011851700000000, -0.0001654400000000 ] - [ 0.0001490800000000, 0.0004173500000000, 0.0003749800000000 ] - [ 0.0003952100000000, -0.0027548600000000, 0.0004934100000000 ] - [ 0.0001932700000000, -0.0004850400000000, 0.0007870300000000 ] - [ 0.0010914200000000, -0.0010121200000000, -0.0036988900000000 ] - [ -0.0051229200000000, -0.0024456700000000, -0.0025870000000000 ] - [ -0.0001725600000000, -0.0014852000000000, -0.0048241000000000 ] - [ 0.0008857400000000, -0.0011463500000000, -0.0022655300000000 ] - [ 0.0010964200000000, 0.0003551600000000, -0.0017167600000000 ] - [ -0.0005089300000000, -0.0004831200000000, -0.0002054300000000 ] - [ -0.0001112200000000, -0.0004932400000000, 0.0027227400000000 ] - [ 0.0008531600000000, 0.0003647300000000, 0.0000829100000000 ] - [ 0.0062811000000000, 0.0002198400000000, -0.0000099500000000 ] - [ -0.0017675800000000, -0.0011713400000000, 0.0061957700000000 ] - [ -0.0066390800000000, -0.0043506300000000, 0.0119318900000000 ] - [ 0.0009460200000000, 0.0003964300000000, 0.0004539400000000 ] - [ 0.0048563700000000, -0.0059771000000000, -0.0027100600000000 ] - [ -0.0003775100000000, 0.0006370100000000, 0.0008477300000000 ] - [ -0.0007339200000000, -0.0029329700000000, -0.0025796400000000 ] - [ 0.0003042800000000, -0.0000360000000000, -0.0014694200000000 ] - [ 0.0024778300000000, -0.0010525700000000, -0.0031177500000000 ] - [ -0.0006198000000000, -0.0003805900000000, -0.0000341100000000 ] - [ 0.0003946300000000, -0.0015569600000000, -0.0033885600000000 ] - [ -0.0029021500000000, 0.0015203800000000, -0.0030206600000000 ] - [ 0.0022565900000000, 0.0021526000000000, -0.0032797900000000 ] - [ -0.0007182400000000, -0.0002470600000000, 0.0004264800000000 ] - [ -0.0038347900000000, 0.0047908000000000, 0.0034331600000000 ] - [ 0.0008513700000000, 0.0002159600000000, -0.0005928400000000 ] - [ 0.0020578600000000, -0.0028294900000000, 0.0078764300000000 ] - [ 0.0026476200000000, 0.0010247000000000, 0.0021320100000000 ] - [ 0.0010034600000000, -0.0004616000000000, -0.0061021100000000 ] - [ -0.0015356400000000, -0.0004295800000000, -0.0004188300000000 ] - [ 0.0014398500000000, -0.0006148000000000, -0.0019939800000000 ] - [ -0.0000809400000000, -0.0001493700000000, -0.0003836200000000 ] - [ -0.0034932900000000, -0.0011917700000000, 0.0043751600000000 ] - [ 0.0014085500000000, 0.0001006800000000, 0.0001453600000000 ] - [ 0.0003873200000000, -0.0002642100000000, -0.0009241500000000 ] - [ -0.0001705000000000, -0.0002246200000000, -0.0003463300000000 ] - [ 0.0008801800000000, -0.0000486900000000, -0.0009144900000000 ] - [ -0.0003083700000000, 0.0001351500000000, 0.0003297300000000 ] - [ -0.0093346400000000, -0.0008584400000000, 0.0088476700000000 ] - [ 0.0001284400000000, 0.0002342300000000, 0.0007427400000000 ] - [ -0.0003711600000000, -0.0013556400000000, -0.0000659600000000 ] - [ 0.0005824100000000, -0.0001314800000000, -0.0005342200000000 ] - [ 0.0020106500000000, -0.0008341200000000, -0.0048545000000000 ] - [ -0.0004561700000000, 0.0000089100000000, -0.0003142900000000 ] - [ -0.0012885700000000, -0.0051074300000000, 0.0057277500000000 ] - [ -0.0008083800000000, -0.0009861200000000, 0.0032710100000000 ] - [ -0.0005899400000000, -0.0001248600000000, 0.0028731200000000 ] - [ -0.0004259200000000, 0.0003863900000000, 0.0011298100000000 ] - [ -0.0023691200000000, -0.0010069600000000, -0.0007425000000000 ] - [ -0.0011089500000000, -0.0004231300000000, 0.0001683100000000 ] - [ -0.0052424200000000, 0.0004121300000000, 0.0034816600000000 ] - [ 0.0222542600000000, 0.0026613700000000, -0.0060758000000000 ] - [ -0.0211347900000000, 0.0142868200000000, -0.0070800400000000 ] - [ -0.0021257000000000, -0.0006479500000000, -0.0021990600000000 ] - [ 0.0070266000000000, 0.0016656800000000, -0.0140345300000000 ] - [ -0.0009648800000000, -0.0004577900000000, -0.0004152600000000 ] - [ -0.0011663300000000, 0.0005641000000000, 0.0038917500000000 ] - [ 0.0017483700000000, 0.0001795500000000, -0.0002057900000000 ] - [ -0.0006125200000000, 0.0036120000000000, 0.0070719500000000 ] - [ -0.0000264100000000, 0.0007075600000000, 0.0039123900000000 ] - [ -0.0209246800000000, -0.0124788600000000, -0.0028463100000000 ] - [ -0.0004834700000000, -0.0001388400000000, -0.0049760300000000 ] - [ 0.0069324100000000, -0.0080205900000000, -0.0149554900000000 ] - [ -0.0008467600000000, 0.0013051200000000, -0.0006160600000000 ] - [ 0.0129159900000000, -0.0058335200000000, 0.0150176100000000 ] - [ -0.0037544000000000, 0.0010124400000000, 0.0012656200000000 ] - [ -0.0013832000000000, -0.0020560200000000, 0.0047266600000000 ] - [ 0.0023667000000000, -0.0003250600000000, 0.0006742800000000 ] - [ 0.0030401400000000, 0.0130289600000000, 0.0113755100000000 ] - [ 0.0000533800000000, 0.0002390700000000, 0.0008347500000000 ] - [ 0.0086826700000000, 0.0091785400000000, -0.0052511800000000 ] - [ -0.0030317600000000, 0.0007483400000000, 0.0008428000000000 ] - [ -0.0036647100000000, 0.0003912100000000, 0.0043725000000000 ] - [ 0.0020320500000000, 0.0015038900000000, -0.0004998200000000 ] - [ -0.0111945500000000, 0.0185866500000000, 0.0100617300000000 ] - [ 0.0004597600000000, 0.0001504800000000, -0.0020393900000000 ] - [ 0.0546182300000000, -0.0017494300000000, -0.1465403200000000 ] - [ -0.0024015200000000, 0.0008380400000000, -0.0011799800000000 ] - [ 0.0016620500000000, 0.0012256400000000, -0.0023090200000000 ] - [ -0.0003416600000000, 0.0008279100000000, -0.0006682100000000 ] - [ -0.0002563500000000, 0.0000706400000000, 0.0032447400000000 ] - [ 0.0002633900000000, -0.0011051200000000, 0.0010073300000000 ] - [ -0.0054696800000000, -0.0014551600000000, 0.0092926500000000 ] - [ 0.0032176000000000, -0.0013243200000000, 0.0025275900000000 ] - [ 0.0020786500000000, -0.0146430000000000, 0.0264495700000000 ] - [ 0.0001345600000000, 0.0001960400000000, 0.0021997500000000 ] - [ 0.0044589100000000, -0.0006134000000000, -0.0030306900000000 ] - [ -0.0027426100000000, -0.0005805000000000, 0.0009565200000000 ] - [ -0.0036116800000000, -0.0005890700000000, 0.0038328100000000 ] - [ 0.0025975300000000, -0.0022986200000000, -0.0004342100000000 ] - [ -0.0166642200000000, -0.0169065700000000, 0.0088430000000000 ] - [ 0.0002409100000000, -0.0009179600000000, -0.0035819800000000 ]- atom: 121 displacement: [ 0.0050436217710434, 0.0000000000000000, -0.0086349220859633 ] forces: - [ -0.0036190200000000, -0.0007589500000000, 0.0049510400000000 ] - [ 0.0006995400000000, 0.0000731700000000, 0.0005871700000000 ] - [ 0.0006938700000000, -0.0020207300000000, 0.0005607300000000 ] - [ -0.0003248700000000, 0.0001754700000000, 0.0008072900000000 ] - [ -0.0037724000000000, -0.0056332000000000, 0.0013203000000000 ] - [ 0.0007706000000000, -0.0004702600000000, -0.0013413800000000 ] - [ 0.0102981200000000, 0.0065847200000000, -0.0152994400000000 ] - [ -0.0009686600000000, 0.0001397500000000, -0.0001517300000000 ] - [ 0.0002445400000000, -0.0015557000000000, 0.0028819400000000 ] - [ 0.0026767900000000, -0.0000042000000000, 0.0021357300000000 ] - [ -0.0031007200000000, 0.0000633200000000, 0.0036199900000000 ] - [ 0.0015734200000000, -0.0000395200000000, 0.0009915700000000 ] - [ 0.0022770900000000, 0.0021832100000000, -0.0060291200000000 ] - [ -0.0018004000000000, 0.0008491800000000, 0.0005230800000000 ] - [ -0.0020582500000000, -0.0016961600000000, -0.0085551000000000 ] - [ -0.0031034200000000, 0.0020716500000000, -0.0031260000000000 ] - [ 0.0092450000000000, 0.0021197400000000, -0.0140338600000000 ] - [ 0.0003881300000000, -0.0000954200000000, -0.0009776700000000 ] - [ 0.0037604300000000, -0.0012484100000000, -0.0041100900000000 ] - [ -0.0016168000000000, 0.0002833900000000, -0.0001201500000000 ] - [ -0.0018580400000000, -0.0003741000000000, 0.0024223600000000 ] - [ 0.0006626600000000, -0.0000342500000000, 0.0009049900000000 ] - [ -0.0001343600000000, -0.0015968500000000, 0.0045205700000000 ] - [ 0.0011662300000000, -0.0003302000000000, 0.0002081700000000 ] - [ 0.0010708900000000, -0.0043708800000000, 0.0032623700000000 ] - [ -0.0013831500000000, -0.0005492400000000, 0.0004830700000000 ] - [ -0.0007998600000000, -0.0009016400000000, 0.0023301100000000 ] - [ 0.0003097700000000, 0.0000356500000000, 0.0007343600000000 ] - [ -0.0011383900000000, -0.0042130400000000, -0.0006662000000000 ] - [ -0.0004403000000000, 0.0001345000000000, 0.0003726800000000 ] - [ -0.0057230900000000, -0.0003336900000000, 0.0015209000000000 ] - [ 0.0057700600000000, -0.0033345900000000, -0.0031683400000000 ] - [ 0.0199960800000000, -0.0131973100000000, -0.0216807500000000 ] - [ -0.0015020900000000, 0.0003029100000000, -0.0002596300000000 ] - [ -0.0044096600000000, -0.0000001400000000, 0.0035741600000000 ] - [ 0.0057998300000000, -0.0026256200000000, 0.0020843000000000 ] - [ 0.0006079700000000, 0.0003449700000000, -0.0008302700000000 ] - [ -0.0012236200000000, 0.0004142100000000, -0.0002545900000000 ] - [ -0.0035226500000000, 0.0018087100000000, -0.0282883700000000 ] - [ -0.0030328700000000, 0.0001402600000000, 0.0002847800000000 ] - [ -0.0049349100000000, -0.0018409800000000, -0.0169458300000000 ] - [ -0.0015608600000000, 0.0005453000000000, -0.0003355600000000 ] - [ 0.0002959200000000, 0.0021762400000000, 0.0011305400000000 ] - [ 0.0001072300000000, 0.0005698300000000, 0.0005949200000000 ] - [ -0.0001456600000000, 0.0017634400000000, 0.0004960800000000 ] - [ 0.0000672700000000, -0.0005018400000000, 0.0001824800000000 ] - [ -0.0013595300000000, 0.0000323800000000, 0.0027307200000000 ] - [ 0.0048540900000000, 0.0014499200000000, 0.0016065500000000 ] - [ -0.0000447400000000, 0.0007792300000000, 0.0050126800000000 ] - [ -0.0010786500000000, 0.0004357600000000, 0.0024263800000000 ] - [ -0.0008950100000000, -0.0010636900000000, 0.0015623000000000 ] - [ 0.0007082100000000, -0.0002261100000000, 0.0000524300000000 ] - [ 0.0002952200000000, 0.0012259800000000, -0.0028949700000000 ] - [ -0.0006528500000000, 0.0003423700000000, -0.0002395800000000 ] - [ -0.0065087800000000, 0.0005001000000000, 0.0001599500000000 ] - [ 0.0015624600000000, 0.0018857800000000, -0.0060253800000000 ] - [ 0.0068790700000000, 0.0052735000000000, -0.0112459700000000 ] - [ -0.0005769400000000, 0.0002619100000000, 0.0001142700000000 ] - [ -0.0052099000000000, 0.0066304300000000, 0.0021356400000000 ] - [ 0.0000051300000000, 0.0000226400000000, -0.0014170200000000 ] - [ 0.0003484600000000, 0.0022645100000000, 0.0020323500000000 ] - [ -0.0006705100000000, -0.0006256300000000, 0.0009029300000000 ] - [ -0.0021114300000000, 0.0004050300000000, 0.0036905300000000 ] - [ 0.0009862500000000, -0.0002798100000000, 0.0006033400000000 ] - [ -0.0004676600000000, 0.0010875400000000, 0.0039068700000000 ] - [ 0.0028613100000000, -0.0019971400000000, 0.0035468700000000 ] - [ -0.0021932600000000, -0.0026121900000000, 0.0027668000000000 ] - [ 0.0007820600000000, -0.0002194400000000, -0.0009427600000000 ] - [ 0.0039199600000000, -0.0043402200000000, -0.0039864900000000 ] - [ -0.0007934800000000, 0.0002491200000000, 0.0000757700000000 ] - [ -0.0021196600000000, 0.0033030200000000, -0.0073944000000000 ] - [ -0.0027108100000000, -0.0005548400000000, -0.0016097200000000 ] - [ -0.0020870100000000, 0.0002566100000000, 0.0063968400000000 ] - [ 0.0004658600000000, 0.0002473700000000, 0.0007395200000000 ] - [ -0.0003653100000000, 0.0004357400000000, 0.0016787000000000 ] - [ 0.0011603600000000, -0.0000363300000000, 0.0000622400000000 ] - [ 0.0046038800000000, 0.0013890600000000, -0.0047205800000000 ] - [ -0.0003335900000000, 0.0000815100000000, -0.0004639000000000 ] - [ 0.0001378300000000, -0.0005855700000000, 0.0015474200000000 ] - [ 0.0007027300000000, -0.0006248300000000, 0.0009635900000000 ] - [ -0.0006976500000000, 0.0003148100000000, 0.0005433100000000 ] - [ 0.0004874000000000, 0.0001305600000000, -0.0007014300000000 ] - [ 0.0079176200000000, 0.0012028100000000, -0.0076811400000000 ] - [ -0.0003074700000000, 0.0000317200000000, -0.0003777200000000 ] - [ 0.0005500300000000, 0.0010976600000000, -0.0002966100000000 ] - [ -0.0004018700000000, -0.0001358900000000, 0.0001664900000000 ] - [ -0.0021879900000000, 0.0005809400000000, 0.0052472500000000 ] - [ 0.0002729600000000, -0.0002752100000000, 0.0006852300000000 ] - [ -0.0001125900000000, 0.0034357900000000, -0.0048317700000000 ] - [ -0.0006206900000000, -0.0006647800000000, -0.0023694800000000 ] - [ -0.0008901100000000, 0.0007488400000000, -0.0014619200000000 ] - [ -0.0010431600000000, 0.0002315600000000, 0.0002760300000000 ] - [ 0.0009207100000000, 0.0003953000000000, 0.0021327600000000 ] - [ -0.0003689300000000, -0.0001929400000000, 0.0012418500000000 ] - [ 0.0067466500000000, -0.0010312800000000, -0.0048992000000000 ] - [ -0.0207606000000000, -0.0032789200000000, 0.0047070700000000 ] - [ 0.0202463300000000, -0.0150058200000000, 0.0077498600000000 ] - [ 0.0011453500000000, 0.0000501800000000, 0.0028162200000000 ] - [ -0.0060787300000000, -0.0023592600000000, 0.0135311200000000 ] - [ 0.0019591600000000, -0.0001363100000000, -0.0002052800000000 ] - [ 0.0021581800000000, 0.0000239600000000, -0.0045221100000000 ] - [ -0.0007578300000000, 0.0004186200000000, -0.0004174400000000 ] - [ -0.0003321200000000, -0.0029948700000000, -0.0064456100000000 ] - [ -0.0009757500000000, -0.0001099100000000, -0.0032998900000000 ] - [ 0.0196367400000000, 0.0142567600000000, 0.0037476000000000 ] - [ -0.0009274100000000, 0.0017882100000000, 0.0058682500000000 ] - [ -0.0055461000000000, 0.0097865800000000, 0.0141409900000000 ] - [ 0.0022708500000000, 0.0003399400000000, -0.0002832200000000 ] - [ -0.0113982700000000, 0.0064997400000000, -0.0164928900000000 ] - [ 0.0052156200000000, -0.0003973000000000, -0.0026811300000000 ] - [ 0.0028049200000000, 0.0004292000000000, -0.0056381400000000 ] - [ -0.0009489400000000, -0.0013262600000000, -0.0015862900000000 ] - [ -0.0027900300000000, -0.0126516300000000, -0.0115500900000000 ] - [ 0.0002296100000000, 0.0002229500000000, -0.0009832100000000 ] - [ -0.0090064200000000, -0.0087886200000000, 0.0053573300000000 ] - [ 0.0027560900000000, -0.0002790600000000, -0.0007007100000000 ] - [ 0.0033954200000000, -0.0008674600000000, -0.0042240100000000 ] - [ -0.0023053900000000, -0.0019650900000000, 0.0006589800000000 ] - [ 0.0114392000000000, -0.0188843000000000, -0.0102141200000000 ] - [ -0.0001948400000000, -0.0006158500000000, 0.0019012400000000 ] - [ -0.0549246000000000, 0.0041215200000000, 0.1467164300000000 ] - [ 0.0020874800000000, 0.0010574700000000, 0.0004666100000000 ] - [ -0.0013563600000000, 0.0006698800000000, 0.0030403900000000 ] - [ 0.0006699400000000, 0.0010689100000000, 0.0013853600000000 ] - [ 0.0005800300000000, -0.0019675400000000, -0.0025495600000000 ] - [ 0.0000512500000000, -0.0007895000000000, -0.0002914600000000 ] - [ 0.0051562800000000, -0.0004513100000000, -0.0100167600000000 ] - [ -0.0035418700000000, -0.0005731900000000, -0.0032462500000000 ] - [ -0.0017265900000000, 0.0150872600000000, -0.0270519400000000 ] - [ 0.0002999500000000, 0.0000701800000000, -0.0025594100000000 ] - [ -0.0049008400000000, 0.0008827500000000, 0.0033741900000000 ] - [ 0.0023232300000000, 0.0008421200000000, -0.0006101300000000 ] - [ 0.0031957000000000, 0.0003344400000000, -0.0034817500000000 ] - [ -0.0030245400000000, 0.0020377000000000, 0.0008035000000000 ] - [ 0.0170378400000000, 0.0164821900000000, -0.0092140000000000 ] - [ 0.0001719300000000, 0.0006553500000000, 0.0032411000000000 ]- atom: 129 displacement: [ 0.0099999999206514, 0.0000000000000000, 0.0000012597509720 ] forces: - [ 0.0318175300000000, 0.0003243500000000, -0.0129905100000000 ] - [ -0.0034855300000000, 0.0002274200000000, -0.0000906600000000 ] - [ -0.0005848900000000, -0.0000488000000000, 0.0005064300000000 ] - [ 0.0008223000000000, 0.0003212600000000, -0.0005507400000000 ] - [ -0.0040566000000000, -0.0074672500000000, -0.0040388300000000 ] - [ -0.0036993200000000, 0.0013777700000000, 0.0024919300000000 ] - [ 0.0007863200000000, -0.0002064000000000, 0.0012897200000000 ] - [ -0.0008256300000000, -0.0002351400000000, -0.0004321200000000 ] - [ -0.0011244800000000, -0.0004405800000000, -0.0004595600000000 ] - [ 0.0032320000000000, -0.0009185900000000, -0.0001247100000000 ] - [ 0.0018899000000000, -0.0031016500000000, 0.0105449400000000 ] - [ -0.0026730200000000, -0.0007417000000000, -0.0020586100000000 ] - [ 0.0019754900000000, -0.0004044800000000, 0.0008476000000000 ] - [ -0.0022779400000000, 0.0007540000000000, -0.0006288400000000 ] - [ -0.0030260500000000, -0.0009501000000000, -0.0075405000000000 ] - [ 0.0006144500000000, 0.0012514100000000, 0.0036377700000000 ] - [ 0.0154653600000000, -0.0004485700000000, 0.0009266100000000 ] - [ -0.0030224700000000, -0.0003818700000000, 0.0001054300000000 ] - [ 0.0011008300000000, -0.0001216100000000, -0.0001060100000000 ] - [ -0.0016079200000000, 0.0004569800000000, 0.0003416600000000 ] - [ -0.0057624400000000, -0.0062394600000000, 0.0035412200000000 ] - [ -0.0050785100000000, 0.0013536200000000, -0.0031096100000000 ] - [ -0.0013623200000000, 0.0016917900000000, 0.0021579600000000 ] - [ 0.0006702900000000, -0.0012781200000000, -0.0015395000000000 ] - [ -0.0010707000000000, -0.0002500700000000, -0.0002108600000000 ] - [ 0.0013634600000000, -0.0010211400000000, -0.0010583400000000 ] - [ 0.0110334600000000, -0.0125083300000000, 0.0009949500000000 ] - [ -0.0024372700000000, 0.0007835100000000, 0.0008178700000000 ] - [ 0.0003831300000000, 0.0007575300000000, 0.0014227800000000 ] - [ -0.0005014300000000, -0.0001051500000000, -0.0000459200000000 ] - [ -0.0056260400000000, 0.0016099700000000, -0.0027609600000000 ] - [ -0.0073412800000000, 0.0015876900000000, 0.0035579900000000 ] - [ 0.0026409700000000, 0.0020818400000000, -0.0018807100000000 ] - [ -0.0024423700000000, -0.0000929300000000, 0.0001273500000000 ] - [ 0.0033255100000000, 0.0001232600000000, 0.0035418100000000 ] - [ -0.0022818100000000, -0.0006666000000000, -0.0019042800000000 ] - [ -0.0002879500000000, 0.0001655200000000, -0.0009835300000000 ] - [ 0.0000927500000000, 0.0007539100000000, 0.0015908400000000 ] - [ 0.0108856300000000, -0.0002289500000000, 0.0042826000000000 ] - [ -0.0044048900000000, 0.0005685200000000, -0.0013684500000000 ] - [ 0.0009056100000000, 0.0015539100000000, -0.0003225800000000 ] - [ 0.0007250300000000, 0.0000071000000000, -0.0022340600000000 ] - [ 0.0027550000000000, 0.0004733200000000, 0.0002351200000000 ] - [ -0.0012279200000000, 0.0005110900000000, -0.0001586500000000 ] - [ 0.0003852000000000, -0.0011369900000000, 0.0034652800000000 ] - [ -0.0009718600000000, 0.0001684900000000, -0.0016773700000000 ] - [ -0.0034015000000000, 0.0025206600000000, -0.0020254900000000 ] - [ -0.0049227300000000, -0.0054468200000000, -0.0027775000000000 ] - [ -0.0023568800000000, 0.0002900100000000, 0.0003437300000000 ] - [ 0.0105620000000000, -0.0072476700000000, -0.0085353500000000 ] - [ 0.0016579100000000, -0.0019106300000000, 0.0008929600000000 ] - [ -0.0011566700000000, -0.0005393800000000, -0.0003023600000000 ] - [ -0.0018390100000000, 0.0035255800000000, 0.0050954100000000 ] - [ -0.0012586200000000, 0.0000709200000000, -0.0014702400000000 ] - [ -0.0004291400000000, 0.0024680900000000, -0.0019004900000000 ] - [ -0.0045859300000000, -0.0034852400000000, 0.0033996000000000 ] - [ 0.0030098300000000, -0.0006578300000000, 0.0054459600000000 ] - [ -0.0005860300000000, 0.0004609500000000, -0.0012210300000000 ] - [ 0.0000173700000000, 0.0009088900000000, -0.0008770100000000 ] - [ -0.0014187900000000, -0.0002627900000000, 0.0000845900000000 ] - [ -0.0014527500000000, -0.0009497400000000, 0.0012168500000000 ] - [ 0.0004904000000000, 0.0021535100000000, -0.0088262800000000 ] - [ 0.0006082100000000, 0.0027152900000000, 0.0008258900000000 ] - [ -0.0011963100000000, -0.0011605700000000, -0.0001942700000000 ] - [ -0.0035584800000000, 0.0001618200000000, 0.0004545200000000 ] - [ 0.0380315600000000, -0.0087299000000000, 0.0113108900000000 ] - [ 0.0006625300000000, -0.0002292200000000, 0.0016913100000000 ] - [ -0.0007985500000000, -0.0002345700000000, -0.0014350800000000 ] - [ 0.0165101700000000, -0.0083472800000000, -0.0022072000000000 ] - [ -0.0027242300000000, 0.0004969000000000, -0.0015877000000000 ] - [ -0.0003815600000000, 0.0007994400000000, -0.0014779300000000 ] - [ -0.0001840000000000, -0.0003989900000000, 0.0020946200000000 ] - [ -0.0043178100000000, -0.0010770900000000, 0.0038670900000000 ] - [ -0.0055050800000000, -0.0015560400000000, -0.0069495900000000 ] - [ 0.0002438300000000, -0.0002705400000000, 0.0006396300000000 ] - [ -0.0002163600000000, 0.0004611100000000, -0.0008580800000000 ] - [ 0.0064973000000000, -0.0000334800000000, 0.0028237500000000 ] - [ -0.0009352100000000, -0.0000541800000000, -0.0001284700000000 ] - [ -0.0023847200000000, -0.0012528400000000, 0.0005711000000000 ] - [ 0.0060748800000000, 0.0031101900000000, -0.0020072100000000 ] - [ -0.0003294400000000, -0.0010921900000000, -0.0002972300000000 ] - [ -0.0009645500000000, 0.0027003300000000, 0.0004309800000000 ] - [ 0.0000696400000000, 0.0002564900000000, 0.0019027000000000 ] - [ -0.0006309600000000, -0.0002110300000000, -0.0010049600000000 ] - [ -0.0003833100000000, -0.0001968100000000, 0.0001061200000000 ] - [ 0.0010561900000000, 0.0002038100000000, -0.0003226500000000 ] - [ 0.0091313700000000, -0.0006928000000000, -0.0033385400000000 ] - [ -0.0015782500000000, -0.0001660200000000, 0.0004655600000000 ] - [ 0.0013953400000000, -0.0014161500000000, 0.0001807100000000 ] - [ -0.0019385200000000, 0.0001319700000000, 0.0007827000000000 ] - [ -0.0122463300000000, 0.0052206000000000, 0.0025719700000000 ] - [ 0.0027505900000000, -0.0000840000000000, 0.0010979400000000 ] - [ -0.0004342000000000, -0.0015276000000000, -0.0037202400000000 ] - [ 0.0007050200000000, -0.0001234900000000, 0.0032331800000000 ] - [ 0.0080992000000000, -0.0052831400000000, 0.0024037400000000 ] - [ 0.0211085400000000, 0.0103713000000000, -0.0066906600000000 ] - [ -0.0005627200000000, -0.0030366500000000, 0.0030255800000000 ] - [ 0.0030115700000000, 0.0020719100000000, -0.0014678800000000 ] - [ -0.0062209000000000, -0.0041615700000000, -0.0184540700000000 ] - [ 0.0031333200000000, -0.0006059300000000, 0.0017201600000000 ] - [ -0.0001303100000000, -0.0005518200000000, -0.0031051200000000 ] - [ 0.0022074300000000, 0.0004304300000000, 0.0012213700000000 ] - [ 0.0043478700000000, 0.0006999500000000, -0.0009231800000000 ] - [ 0.0033942700000000, 0.0057318800000000, 0.0340514900000000 ] - [ 0.0158238600000000, 0.0086402700000000, 0.0179152700000000 ] - [ 0.0058632000000000, -0.0013784200000000, -0.0054693100000000 ] - [ -0.0017986200000000, 0.0012292300000000, -0.0018593000000000 ] - [ 0.0021954300000000, 0.0007817000000000, 0.0007025300000000 ] - [ 0.0034199700000000, 0.0000389200000000, -0.0006674800000000 ] - [ -0.0070904000000000, 0.0032934300000000, 0.0014506400000000 ] - [ 0.0053337500000000, 0.0245937000000000, -0.0237200000000000 ] - [ 0.0064275400000000, -0.0008250100000000, 0.0011775600000000 ] - [ -0.0080673900000000, -0.0050183800000000, 0.0029346900000000 ] - [ 0.0035021000000000, 0.0005254500000000, 0.0003130000000000 ] - [ -0.0014929900000000, 0.0020435600000000, 0.0029604200000000 ] - [ -0.0040792600000000, -0.0002200800000000, -0.0007582800000000 ] - [ 0.0019104400000000, -0.0017884500000000, 0.0004620800000000 ] - [ -0.0007209100000000, 0.0017958700000000, 0.0008587400000000 ] - [ 0.0014194300000000, -0.0000272400000000, -0.0075767300000000 ] - [ 0.0043562400000000, -0.0011733900000000, 0.0064225500000000 ] - [ -0.0170524200000000, -0.0020679400000000, -0.0080934000000000 ] - [ 0.0025568000000000, 0.0014425400000000, 0.0011386100000000 ] - [ -0.0038622700000000, 0.0042198800000000, 0.0034373600000000 ] - [ 0.0028240200000000, -0.0004080400000000, -0.0010165400000000 ] - [ 0.0023106800000000, 0.0007529200000000, -0.0023329100000000 ] - [ -0.0001738600000000, -0.0046980700000000, 0.0034150800000000 ] - [ 0.0102272100000000, -0.0171997100000000, -0.0138409000000000 ] - [ 0.0057390200000000, 0.0019125700000000, 0.0031246000000000 ] - [ -0.1629505400000000, 0.0355183600000000, 0.0150635000000000 ] - [ 0.0063791700000000, -0.0000524100000000, 0.0001733700000000 ] - [ 0.0002862500000000, -0.0000123000000000, 0.0007891800000000 ] - [ -0.0012517900000000, 0.0002411500000000, -0.0009124200000000 ] - [ 0.0088876400000000, 0.0037278500000000, 0.0006483100000000 ] - [ 0.0180813500000000, -0.0206748700000000, -0.0027480400000000 ] - [ -0.0002107500000000, -0.0003569300000000, -0.0046087200000000 ] - [ 0.0017710400000000, 0.0002660300000000, 0.0026183300000000 ]- atom: 129 displacement: [ -0.0099999999206514, 0.0000000000000000, -0.0000012597509720 ] forces: - [ -0.0305236500000000, -0.0001514700000000, 0.0118061900000000 ] - [ 0.0031795400000000, -0.0001455500000000, 0.0002153800000000 ] - [ 0.0009015700000000, 0.0001319700000000, -0.0006214500000000 ] - [ -0.0005097800000000, -0.0002415500000000, 0.0004302400000000 ] - [ 0.0043689100000000, 0.0073424000000000, 0.0038609900000000 ] - [ 0.0040249100000000, -0.0014714500000000, -0.0026189600000000 ] - [ -0.0011099600000000, 0.0001091900000000, -0.0011636800000000 ] - [ 0.0005094200000000, 0.0001533500000000, 0.0005486100000000 ] - [ 0.0023343100000000, -0.0008481400000000, -0.0001323000000000 ] - [ -0.0020411500000000, -0.0003760000000000, -0.0004780800000000 ] - [ -0.0030989400000000, 0.0017954500000000, -0.0099374300000000 ] - [ 0.0014726400000000, -0.0005488000000000, 0.0026671000000000 ] - [ -0.0031958800000000, 0.0016905300000000, -0.0002516300000000 ] - [ 0.0010710400000000, 0.0005373700000000, 0.0012234300000000 ] - [ 0.0042868900000000, 0.0022631400000000, 0.0069655200000000 ] - [ 0.0005917600000000, 0.0000354700000000, -0.0042466000000000 ] - [ -0.0139270900000000, 0.0007383600000000, -0.0007874800000000 ] - [ 0.0042116800000000, 0.0006654200000000, -0.0005604200000000 ] - [ -0.0022750500000000, 0.0004010000000000, 0.0005580400000000 ] - [ 0.0004277500000000, -0.0001758800000000, 0.0001046100000000 ] - [ 0.0045874600000000, 0.0059328700000000, -0.0030719800000000 ] - [ 0.0039058300000000, -0.0016423700000000, 0.0035669300000000 ] - [ 0.0025378900000000, -0.0019684700000000, -0.0025997200000000 ] - [ 0.0005022500000000, 0.0010016100000000, 0.0010925800000000 ] - [ 0.0010755800000000, 0.0001557500000000, -0.0007592200000000 ] - [ -0.0013603500000000, 0.0009246200000000, 0.0000781300000000 ] - [ -0.0109350800000000, 0.0124359300000000, -0.0000917100000000 ] - [ 0.0024354200000000, -0.0008803500000000, 0.0001590600000000 ] - [ -0.0003918200000000, -0.0006677600000000, -0.0004445100000000 ] - [ 0.0004986100000000, 0.0001962300000000, 0.0010202500000000 ] - [ 0.0056236900000000, -0.0015080300000000, 0.0017350000000000 ] - [ 0.0073734400000000, -0.0014845000000000, -0.0045697800000000 ] - [ -0.0036992800000000, -0.0019121600000000, 0.0022085200000000 ] - [ 0.0013602100000000, 0.0002800300000000, 0.0001891100000000 ] - [ -0.0038437900000000, -0.0009676400000000, -0.0041582500000000 ] - [ 0.0017631500000000, -0.0001818700000000, 0.0012934200000000 ] - [ 0.0008216500000000, 0.0006815100000000, 0.0016033600000000 ] - [ 0.0004275200000000, 0.0000940900000000, -0.0009730300000000 ] - [ -0.0118997700000000, 0.0006870200000000, -0.0045436300000000 ] - [ 0.0038701900000000, 0.0002861300000000, 0.0007458200000000 ] - [ -0.0011585600000000, -0.0005725700000000, -0.0006201900000000 ] - [ -0.0009833200000000, 0.0009835100000000, 0.0012491700000000 ] - [ -0.0024939700000000, 0.0005172100000000, 0.0007391900000000 ] - [ 0.0014866400000000, 0.0004734200000000, 0.0011285600000000 ] - [ -0.0001276200000000, 0.0001493800000000, -0.0024868500000000 ] - [ 0.0012335700000000, -0.0011570400000000, 0.0026492700000000 ] - [ 0.0031367600000000, -0.0034830000000000, 0.0010554800000000 ] - [ 0.0046677600000000, 0.0044873400000000, 0.0017927000000000 ] - [ 0.0021557100000000, -0.0009958500000000, -0.0001779000000000 ] - [ -0.0108375300000000, 0.0065698700000000, 0.0086759600000000 ] - [ -0.0014580600000000, 0.0012197200000000, -0.0010587600000000 ] - [ 0.0013564200000000, -0.0001717200000000, 0.0001504100000000 ] - [ 0.0020120400000000, -0.0028014900000000, -0.0052320200000000 ] - [ 0.0014595700000000, 0.0006347800000000, 0.0013107400000000 ] - [ 0.0002444500000000, -0.0017459700000000, 0.0020447600000000 ] - [ 0.0043584000000000, 0.0041947500000000, -0.0032488400000000 ] - [ -0.0026604600000000, 0.0013224100000000, -0.0048582600000000 ] - [ 0.0009562100000000, 0.0001987500000000, 0.0017877600000000 ] - [ -0.0003723400000000, -0.0002536900000000, 0.0003082300000000 ] - [ 0.0010481900000000, 0.0009221500000000, -0.0006559500000000 ] - [ 0.0010803700000000, 0.0002889600000000, -0.0017749500000000 ] - [ -0.0008597100000000, -0.0028167700000000, 0.0082892900000000 ] - [ -0.0002200000000000, -0.0033813000000000, -0.0002660300000000 ] - [ 0.0015651000000000, 0.0005051400000000, 0.0007647200000000 ] - [ 0.0034896700000000, -0.0006285700000000, 0.0000717100000000 ] - [ -0.0400502500000000, 0.0089165700000000, -0.0120438200000000 ] - [ -0.0005993200000000, -0.0002372800000000, -0.0022121500000000 ] - [ 0.0008620900000000, -0.0002327900000000, 0.0009223600000000 ] - [ -0.0166214400000000, 0.0092061100000000, 0.0018778300000000 ] - [ 0.0027827100000000, -0.0000327200000000, 0.0010678300000000 ] - [ 0.0003293900000000, -0.0003341400000000, 0.0020013500000000 ] - [ 0.0001197400000000, 0.0008656300000000, -0.0015811900000000 ] - [ 0.0032407700000000, 0.0008909300000000, -0.0035387900000000 ] - [ 0.0044361800000000, 0.0013688800000000, 0.0072987400000000 ] - [ 0.0008429400000000, 0.0000807000000000, -0.0009588200000000 ] - [ 0.0012921000000000, -0.0006481300000000, 0.0005384900000000 ] - [ -0.0054072300000000, 0.0002316500000000, -0.0031349700000000 ] - [ 0.0020120100000000, 0.0002366900000000, -0.0001940600000000 ] - [ 0.0029115500000000, 0.0004001900000000, 0.0000531400000000 ] - [ -0.0055786900000000, -0.0039718100000000, 0.0026222700000000 ] - [ 0.0005134700000000, 0.0013505400000000, -0.0000716100000000 ] - [ 0.0011451300000000, -0.0024450900000000, -0.0008025100000000 ] - [ -0.0002594000000000, 0.0000113600000000, -0.0015272100000000 ] - [ 0.0004520200000000, 0.0004785000000000, 0.0013743700000000 ] - [ 0.0005638100000000, -0.0000667400000000, -0.0004709800000000 ] - [ -0.0008779800000000, -0.0004739900000000, -0.0000471500000000 ] - [ -0.0092817800000000, 0.0003415600000000, 0.0036274800000000 ] - [ 0.0013990600000000, -0.0000970500000000, -0.0000964800000000 ] - [ -0.0028149600000000, -0.0002335400000000, 0.0007154600000000 ] - [ 0.0005319000000000, -0.0017793200000000, 0.0001286700000000 ] - [ 0.0108202700000000, -0.0046639400000000, -0.0011494700000000 ] - [ -0.0042232200000000, 0.0007076300000000, 0.0003074700000000 ] - [ -0.0010289700000000, 0.0009099700000000, 0.0051208600000000 ] - [ -0.0021841600000000, -0.0004903000000000, -0.0018228600000000 ] - [ -0.0066059700000000, 0.0046216300000000, -0.0037922800000000 ] - [ -0.0196618200000000, -0.0111252600000000, 0.0054001500000000 ] - [ -0.0004624200000000, 0.0024440200000000, -0.0024084200000000 ] - [ -0.0039980500000000, -0.0026688200000000, 0.0020981100000000 ] - [ 0.0072481000000000, 0.0035459000000000, 0.0177937900000000 ] - [ -0.0021424100000000, 0.0000130300000000, -0.0023356700000000 ] - [ 0.0011074500000000, 0.0011506900000000, 0.0024902900000000 ] - [ -0.0012150900000000, 0.0001665700000000, -0.0018483000000000 ] - [ -0.0053317300000000, -0.0001031100000000, 0.0015262100000000 ] - [ -0.0043779100000000, -0.0051721000000000, -0.0336899700000000 ] - [ -0.0173294300000000, -0.0070288300000000, -0.0168004000000000 ] - [ -0.0073097900000000, 0.0030487500000000, 0.0064016100000000 ] - [ 0.0032224600000000, 0.0004283100000000, 0.0009532800000000 ] - [ -0.0007744100000000, 0.0008665900000000, -0.0016030900000000 ] - [ -0.0019576000000000, 0.0005850200000000, -0.0007611600000000 ] - [ 0.0085440400000000, -0.0026713900000000, -0.0028288100000000 ] - [ -0.0039576100000000, -0.0260469100000000, 0.0226712900000000 ] - [ -0.0050192000000000, -0.0008187100000000, -0.0020933600000000 ] - [ 0.0083477200000000, 0.0055533600000000, -0.0030972600000000 ] - [ -0.0032290600000000, -0.0000660600000000, -0.0004596900000000 ] - [ 0.0012145800000000, -0.0015975700000000, -0.0028495300000000 ] - [ 0.0038112000000000, 0.0006826400000000, 0.0009083200000000 ] - [ -0.0021976400000000, 0.0013186500000000, -0.0003164000000000 ] - [ 0.0004639400000000, -0.0022658800000000, -0.0007085200000000 ] - [ -0.0011292500000000, -0.0004390800000000, 0.0074162500000000 ] - [ -0.0041010600000000, 0.0007151400000000, -0.0065878600000000 ] - [ 0.0167888000000000, 0.0040282200000000, 0.0072591800000000 ] - [ -0.0028732800000000, 0.0004473200000000, -0.0018426800000000 ] - [ 0.0041475700000000, -0.0023096000000000, -0.0027229400000000 ] - [ -0.0025032600000000, 0.0023130800000000, 0.0017378200000000 ] - [ -0.0019913700000000, -0.0026430000000000, 0.0030368600000000 ] - [ 0.0004992200000000, 0.0028181100000000, -0.0027020900000000 ] - [ -0.0105451600000000, 0.0151844600000000, 0.0130536800000000 ] - [ -0.0060785400000000, -0.0038288900000000, -0.0038568600000000 ] - [ 0.1640842100000000, -0.0361110700000000, -0.0135751700000000 ] - [ -0.0059575400000000, 0.0003167800000000, -0.0005297600000000 ] - [ -0.0007151700000000, 0.0002795700000000, -0.0004443700000000 ] - [ 0.0008336500000000, 0.0000274200000000, 0.0012731300000000 ] - [ -0.0092783000000000, -0.0039632900000000, -0.0003019600000000 ] - [ -0.0186172900000000, 0.0206316600000000, 0.0031569600000000 ] - [ 0.0006417300000000, 0.0000904800000000, 0.0042488100000000 ] - [ -0.0013531000000000, -0.0005347700000000, -0.0029740300000000 ]- atom: 129 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009060600000000, 0.0187598600000000, -0.0021547500000000 ] - [ 0.0002164800000000, 0.0013609100000000, -0.0001201900000000 ] - [ 0.0001889700000000, -0.0011886800000000, -0.0000864000000000 ] - [ 0.0000217500000000, -0.0022363200000000, -0.0005592800000000 ] - [ -0.0046538400000000, 0.0005342900000000, -0.0034117900000000 ] - [ 0.0023143700000000, 0.0011601400000000, -0.0015690700000000 ] - [ -0.0009572300000000, -0.0021429100000000, 0.0015010000000000 ] - [ -0.0000938700000000, -0.0003968000000000, -0.0000157200000000 ] - [ 0.0010348800000000, -0.0010897000000000, -0.0004044800000000 ] - [ -0.0023392300000000, -0.0043994500000000, -0.0025238000000000 ] - [ -0.0018093100000000, 0.0022402400000000, 0.0038005100000000 ] - [ -0.0003652400000000, -0.0001058600000000, 0.0004603200000000 ] - [ -0.0021274200000000, -0.0024348200000000, 0.0019067400000000 ] - [ -0.0002677200000000, 0.0001875100000000, 0.0006045700000000 ] - [ 0.0010901600000000, 0.0021349800000000, -0.0003462800000000 ] - [ 0.0009158200000000, 0.0016796100000000, -0.0000073600000000 ] - [ 0.0021830600000000, 0.0107481800000000, 0.0017022000000000 ] - [ 0.0007799700000000, 0.0011025100000000, -0.0003045900000000 ] - [ 0.0001674100000000, -0.0024598200000000, 0.0003683200000000 ] - [ -0.0003242000000000, -0.0005334900000000, 0.0002596400000000 ] - [ -0.0048714200000000, 0.0011653100000000, 0.0011647000000000 ] - [ 0.0017253200000000, 0.0002763200000000, 0.0027530300000000 ] - [ 0.0017621800000000, -0.0011946400000000, -0.0007861700000000 ] - [ -0.0003702300000000, -0.0002926600000000, -0.0010351600000000 ] - [ 0.0001845900000000, -0.0001787500000000, -0.0002958600000000 ] - [ -0.0005451300000000, -0.0012623100000000, -0.0016636000000000 ] - [ -0.0067390100000000, -0.0071831900000000, 0.0093125500000000 ] - [ 0.0004569700000000, -0.0000841900000000, 0.0003587000000000 ] - [ -0.0007183300000000, -0.0030235600000000, 0.0006850100000000 ] - [ -0.0002749100000000, -0.0009583800000000, 0.0006667400000000 ] - [ -0.0001880900000000, 0.0030955100000000, 0.0000900500000000 ] - [ -0.0034863600000000, 0.0069514700000000, -0.0006360600000000 ] - [ 0.0030228000000000, -0.0034838900000000, 0.0058382500000000 ] - [ -0.0012991600000000, -0.0000267000000000, 0.0000218500000000 ] - [ 0.0002770400000000, -0.0001517500000000, -0.0025849700000000 ] - [ -0.0002772200000000, -0.0001715800000000, -0.0003355500000000 ] - [ -0.0002315400000000, -0.0005524200000000, -0.0004447600000000 ] - [ 0.0012987200000000, -0.0007396300000000, -0.0001046800000000 ] - [ 0.0003917500000000, 0.0144313700000000, -0.0003627100000000 ] - [ 0.0005605700000000, 0.0012919200000000, -0.0001883200000000 ] - [ 0.0009676700000000, 0.0023951000000000, 0.0017293900000000 ] - [ -0.0003041000000000, 0.0017810700000000, -0.0027121300000000 ] - [ -0.0004369000000000, -0.0088310800000000, -0.0015901800000000 ] - [ 0.0002399400000000, -0.0002645400000000, 0.0005116600000000 ] - [ 0.0000900100000000, -0.0009841700000000, -0.0008023800000000 ] - [ 0.0004946800000000, -0.0005900700000000, 0.0012101800000000 ] - [ 0.0027026800000000, -0.0007146000000000, 0.0005010500000000 ] - [ -0.0048790300000000, -0.0018723700000000, -0.0030111500000000 ] - [ -0.0003414600000000, 0.0003214200000000, 0.0005813700000000 ] - [ -0.0044264100000000, 0.0048347600000000, -0.0047468200000000 ] - [ -0.0022890900000000, -0.0074837800000000, 0.0024937900000000 ] - [ -0.0001099700000000, -0.0010111800000000, 0.0000688100000000 ] - [ 0.0045297600000000, -0.0050512600000000, -0.0062309800000000 ] - [ -0.0003385400000000, 0.0001014800000000, -0.0003001300000000 ] - [ 0.0015420100000000, 0.0008541100000000, 0.0005408600000000 ] - [ -0.0042233100000000, -0.0014727100000000, 0.0015402400000000 ] - [ -0.0002731900000000, 0.0050648300000000, -0.0054025200000000 ] - [ 0.0001192800000000, 0.0010342400000000, 0.0004721400000000 ] - [ 0.0013407500000000, -0.0029940800000000, -0.0001757000000000 ] - [ -0.0008229000000000, -0.0010905400000000, -0.0002738200000000 ] - [ -0.0002687900000000, 0.0005312500000000, -0.0008310200000000 ] - [ -0.0002420000000000, 0.0015854000000000, 0.0016870800000000 ] - [ 0.0026330600000000, -0.0061128500000000, -0.0023861500000000 ] - [ -0.0001157000000000, -0.0011487500000000, -0.0001230400000000 ] - [ -0.0004284200000000, 0.0008960300000000, 0.0003631900000000 ] - [ -0.0106118900000000, 0.0129705900000000, -0.0009795300000000 ] - [ -0.0006525200000000, -0.0020457500000000, -0.0001084200000000 ] - [ -0.0000041700000000, -0.0009247500000000, 0.0000161900000000 ] - [ -0.0092222300000000, 0.0293673000000000, 0.0109405400000000 ] - [ -0.0003941000000000, 0.0007326300000000, -0.0003936400000000 ] - [ 0.0010535700000000, -0.0011135700000000, 0.0022336100000000 ] - [ -0.0006236100000000, -0.0008903200000000, 0.0006357500000000 ] - [ 0.0003326800000000, 0.0023792600000000, -0.0007629100000000 ] - [ -0.0001391900000000, 0.0020087500000000, 0.0017260400000000 ] - [ 0.0007741400000000, -0.0024273200000000, -0.0008859000000000 ] - [ 0.0010767600000000, -0.0017623700000000, -0.0004523200000000 ] - [ -0.0033324500000000, -0.0010576700000000, -0.0060804400000000 ] - [ 0.0007541100000000, 0.0000728100000000, -0.0001027500000000 ] - [ -0.0002318400000000, -0.0009857700000000, 0.0003154600000000 ] - [ 0.0038445300000000, -0.0053072300000000, 0.0032468400000000 ] - [ -0.0004903800000000, -0.0014621400000000, 0.0000284300000000 ] - [ 0.0011080400000000, -0.0025321900000000, -0.0004720800000000 ] - [ -0.0004686600000000, 0.0014795500000000, 0.0011197800000000 ] - [ -0.0001056900000000, 0.0007790800000000, 0.0004101000000000 ] - [ -0.0000345800000000, -0.0007690400000000, -0.0006787200000000 ] - [ 0.0001395900000000, -0.0006395100000000, 0.0004922800000000 ] - [ -0.0049275000000000, 0.0260626400000000, 0.0059209800000000 ] - [ -0.0002744400000000, 0.0001950400000000, 0.0001423600000000 ] - [ -0.0015703500000000, 0.0004180400000000, 0.0005127100000000 ] - [ 0.0011357700000000, 0.0019450200000000, 0.0039378400000000 ] - [ -0.0037847100000000, 0.0228415200000000, -0.0008114100000000 ] - [ -0.0005227100000000, 0.0011772700000000, 0.0007045500000000 ] - [ -0.0024527900000000, 0.0037851800000000, 0.0037760700000000 ] - [ -0.0002474300000000, 0.0010496200000000, 0.0006529300000000 ] - [ -0.0016584700000000, -0.0031984200000000, -0.0020882400000000 ] - [ 0.0201204300000000, -0.0016011200000000, -0.0010328300000000 ] - [ -0.0062493500000000, 0.0031744500000000, -0.0023629500000000 ] - [ 0.0015985200000000, 0.0016125800000000, 0.0002134700000000 ] - [ -0.0001718200000000, 0.0054986200000000, 0.0257731100000000 ] - [ 0.0005933800000000, -0.0008179200000000, -0.0002217300000000 ] - [ 0.0029961700000000, 0.0067448200000000, 0.0014075600000000 ] - [ 0.0003392100000000, 0.0016749700000000, -0.0003699400000000 ] - [ -0.0006143300000000, -0.0017008400000000, 0.0001019400000000 ] - [ 0.0034369500000000, -0.0107166600000000, -0.0072383400000000 ] - [ 0.0005796500000000, -0.0077570800000000, 0.0046459600000000 ] - [ -0.0007693000000000, -0.0025093300000000, 0.0000152100000000 ] - [ 0.0010059600000000, 0.0053124500000000, -0.0026544000000000 ] - [ 0.0006126600000000, 0.0018692100000000, -0.0008294400000000 ] - [ 0.0006244300000000, 0.0000042000000000, -0.0016964900000000 ] - [ 0.0003464600000000, 0.0008561000000000, 0.0051102500000000 ] - [ 0.0201625300000000, -0.0117238000000000, -0.0150473300000000 ] - [ -0.0014276200000000, -0.0024172800000000, -0.0003513200000000 ] - [ 0.0012537100000000, 0.0265461300000000, -0.0042838000000000 ] - [ 0.0002259900000000, 0.0010120200000000, 0.0000376700000000 ] - [ 0.0012730400000000, -0.0023316700000000, 0.0018908900000000 ] - [ -0.0008138500000000, -0.0016092100000000, -0.0014138000000000 ] - [ -0.0016650800000000, 0.0029136200000000, 0.0000903800000000 ] - [ 0.0019898000000000, 0.0052854500000000, 0.0002389700000000 ] - [ 0.0001190500000000, -0.0033442900000000, 0.0004434000000000 ] - [ 0.0000486100000000, -0.0014883900000000, -0.0007607700000000 ] - [ -0.0017545000000000, -0.0038326100000000, -0.0184952800000000 ] - [ 0.0000893300000000, -0.0000662000000000, -0.0001375500000000 ] - [ 0.0032259500000000, 0.0084306900000000, 0.0030222600000000 ] - [ -0.0011117800000000, 0.0028810200000000, 0.0004409500000000 ] - [ 0.0011939500000000, 0.0010485000000000, 0.0004302700000000 ] - [ -0.0020055300000000, 0.0014074300000000, -0.0034259800000000 ] - [ -0.0147919300000000, -0.0038123300000000, 0.0103741300000000 ] - [ 0.0012291800000000, -0.0030488800000000, 0.0013595100000000 ] - [ 0.0363365600000000, -0.1198984100000000, -0.0079173500000000 ] - [ 0.0000239800000000, -0.0012681200000000, 0.0000319600000000 ] - [ -0.0000664200000000, 0.0024171000000000, -0.0001489400000000 ] - [ -0.0003177200000000, 0.0027583600000000, -0.0002941500000000 ] - [ 0.0036300000000000, -0.0007884900000000, -0.0000119700000000 ] - [ -0.0209210300000000, 0.0050125500000000, -0.0035591500000000 ] - [ 0.0004343100000000, 0.0014239700000000, -0.0005230600000000 ] - [ -0.0001863000000000, 0.0000937800000000, -0.0005137600000000 ]- atom: 129 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006297100000000, -0.0186207400000000, 0.0022152800000000 ] - [ -0.0005357400000000, -0.0012779000000000, 0.0002393000000000 ] - [ 0.0001288600000000, 0.0012739200000000, -0.0000334600000000 ] - [ 0.0002953500000000, 0.0023217300000000, 0.0004525700000000 ] - [ 0.0049367500000000, -0.0005717800000000, 0.0032694100000000 ] - [ -0.0019952500000000, -0.0012408500000000, 0.0014480800000000 ] - [ 0.0006473400000000, 0.0020460000000000, -0.0013927700000000 ] - [ -0.0002248000000000, 0.0003090200000000, 0.0001348000000000 ] - [ 0.0001706800000000, -0.0002022100000000, -0.0001883700000000 ] - [ 0.0035787900000000, 0.0031296000000000, 0.0019571000000000 ] - [ 0.0005857200000000, -0.0034965100000000, -0.0032347900000000 ] - [ -0.0008446200000000, -0.0011814600000000, 0.0001379700000000 ] - [ 0.0009341000000000, 0.0037309800000000, -0.0013301500000000 ] - [ -0.0009444400000000, 0.0011018600000000, -0.0000110500000000 ] - [ 0.0001381400000000, -0.0008239900000000, -0.0002265000000000 ] - [ 0.0002932300000000, -0.0003884900000000, -0.0005940100000000 ] - [ -0.0010582900000000, -0.0105062600000000, -0.0022355500000000 ] - [ 0.0004006700000000, -0.0008198200000000, -0.0001452800000000 ] - [ -0.0013454600000000, 0.0027452200000000, 0.0000694100000000 ] - [ -0.0008554000000000, 0.0008162500000000, 0.0001906800000000 ] - [ 0.0037066700000000, -0.0013903200000000, -0.0007209700000000 ] - [ -0.0029010300000000, -0.0005472300000000, -0.0023003600000000 ] - [ -0.0005838100000000, 0.0009076900000000, 0.0003380300000000 ] - [ 0.0015581100000000, 0.0000015700000000, 0.0005936800000000 ] - [ -0.0001801400000000, 0.0000801300000000, -0.0006801900000000 ] - [ 0.0005471700000000, 0.0011480600000000, 0.0006972100000000 ] - [ 0.0067336700000000, 0.0074848900000000, -0.0084056700000000 ] - [ -0.0004618400000000, -0.0000042300000000, 0.0006178600000000 ] - [ 0.0007183900000000, 0.0031215400000000, 0.0002843400000000 ] - [ 0.0002680600000000, 0.0010525900000000, 0.0003092500000000 ] - [ 0.0002269100000000, -0.0030092000000000, -0.0010644500000000 ] - [ 0.0035056900000000, -0.0068639200000000, -0.0003363600000000 ] - [ -0.0041372700000000, 0.0036872200000000, -0.0055967400000000 ] - [ 0.0002210100000000, 0.0002070400000000, 0.0002956600000000 ] - [ -0.0008028800000000, -0.0007132600000000, 0.0019646600000000 ] - [ -0.0002488900000000, -0.0006826400000000, -0.0002846100000000 ] - [ 0.0007522300000000, 0.0014054100000000, 0.0010579300000000 ] - [ -0.0007720200000000, 0.0015923200000000, 0.0007243500000000 ] - [ -0.0013755700000000, -0.0139759900000000, 0.0001281800000000 ] - [ -0.0010861900000000, -0.0004515800000000, -0.0004321500000000 ] - [ -0.0012286800000000, -0.0014162100000000, -0.0026945100000000 ] - [ 0.0000461800000000, -0.0007984200000000, 0.0017278600000000 ] - [ 0.0006867800000000, 0.0098180300000000, 0.0025616800000000 ] - [ 0.0000201100000000, 0.0012534400000000, 0.0004589500000000 ] - [ 0.0001702400000000, 0.0000049600000000, 0.0017700200000000 ] - [ -0.0002346400000000, -0.0003868000000000, -0.0002368600000000 ] - [ -0.0029756600000000, -0.0002897500000000, -0.0014704600000000 ] - [ 0.0046398600000000, 0.0008759900000000, 0.0020405400000000 ] - [ 0.0001485900000000, -0.0010350600000000, -0.0004270300000000 ] - [ 0.0042389500000000, -0.0056330700000000, 0.0048549800000000 ] - [ 0.0024784700000000, 0.0067778700000000, -0.0026386700000000 ] - [ 0.0003136900000000, 0.0003056500000000, -0.0002259100000000 ] - [ -0.0043426100000000, 0.0057744900000000, 0.0060884200000000 ] - [ 0.0005344100000000, 0.0006129800000000, 0.0001462700000000 ] - [ -0.0017569300000000, -0.0001630800000000, -0.0003845600000000 ] - [ 0.0040028400000000, 0.0021681700000000, -0.0013831200000000 ] - [ 0.0006340400000000, -0.0043929000000000, 0.0059484500000000 ] - [ 0.0002508800000000, -0.0003732000000000, 0.0000935800000000 ] - [ -0.0017293400000000, 0.0036603300000000, -0.0003973100000000 ] - [ 0.0004598800000000, 0.0017470500000000, -0.0003002200000000 ] - [ -0.0000968500000000, -0.0011849500000000, 0.0002582600000000 ] - [ -0.0001281700000000, -0.0022269700000000, -0.0022747900000000 ] - [ -0.0022907400000000, 0.0054654200000000, 0.0029771800000000 ] - [ 0.0004883300000000, 0.0004870200000000, 0.0006925500000000 ] - [ 0.0003778400000000, -0.0013607200000000, 0.0001540900000000 ] - [ 0.0105681900000000, -0.0135512000000000, 0.0015173700000000 ] - [ 0.0007119100000000, 0.0015768700000000, -0.0003986800000000 ] - [ 0.0000661100000000, 0.0004572900000000, -0.0005332000000000 ] - [ 0.0084736200000000, -0.0276611400000000, -0.0104957300000000 ] - [ 0.0004583400000000, -0.0002628000000000, -0.0001208300000000 ] - [ -0.0011274800000000, 0.0015838500000000, -0.0017334800000000 ] - [ 0.0005616500000000, 0.0013529900000000, -0.0001175200000000 ] - [ -0.0013880200000000, -0.0025754800000000, 0.0010655800000000 ] - [ -0.0009650600000000, -0.0022044100000000, -0.0014316900000000 ] - [ 0.0002932100000000, 0.0022540400000000, 0.0005721600000000 ] - [ 0.0000099100000000, 0.0015794600000000, 0.0001372200000000 ] - [ 0.0044005700000000, 0.0012551000000000, 0.0057343200000000 ] - [ 0.0003247300000000, 0.0001168900000000, -0.0002192500000000 ] - [ 0.0007624700000000, 0.0001418800000000, 0.0003039900000000 ] - [ -0.0032872400000000, 0.0044468700000000, -0.0026045500000000 ] - [ 0.0006651200000000, 0.0017357900000000, -0.0003949300000000 ] - [ -0.0009225000000000, 0.0028057100000000, 0.0001004400000000 ] - [ 0.0002871600000000, -0.0012171300000000, -0.0007525400000000 ] - [ -0.0000754900000000, -0.0005191900000000, -0.0000433700000000 ] - [ 0.0002167800000000, 0.0005078600000000, 0.0003071500000000 ] - [ 0.0000403100000000, 0.0003807400000000, -0.0008573800000000 ] - [ 0.0054442200000000, -0.0283160900000000, -0.0061734600000000 ] - [ 0.0000947300000000, -0.0004648100000000, 0.0002266600000000 ] - [ 0.0001502100000000, -0.0020628800000000, 0.0003876100000000 ] - [ -0.0025688500000000, -0.0035846500000000, -0.0030813900000000 ] - [ 0.0023291600000000, -0.0221225100000000, 0.0021512400000000 ] - [ -0.0009529700000000, -0.0005664700000000, 0.0007043700000000 ] - [ 0.0009746300000000, -0.0044109600000000, -0.0023579900000000 ] - [ -0.0012186800000000, -0.0016762000000000, 0.0007550500000000 ] - [ 0.0031268900000000, 0.0026292300000000, 0.0006824000000000 ] - [ -0.0186906400000000, 0.0009909900000000, -0.0003371000000000 ] - [ 0.0053162100000000, -0.0037736000000000, 0.0030092100000000 ] - [ -0.0025903400000000, -0.0022006300000000, 0.0004121200000000 ] - [ 0.0011299200000000, -0.0060565100000000, -0.0262750900000000 ] - [ 0.0003983200000000, 0.0002127400000000, -0.0004014900000000 ] - [ -0.0019888100000000, -0.0061591200000000, -0.0020517200000000 ] - [ 0.0006440600000000, -0.0010778500000000, -0.0002525500000000 ] - [ -0.0003978900000000, 0.0022933400000000, 0.0005237700000000 ] - [ -0.0043732100000000, 0.0113092600000000, 0.0079745500000000 ] - [ -0.0021160700000000, 0.0092876300000000, -0.0037818500000000 ] - [ -0.0006536300000000, 0.0041535500000000, 0.0008948200000000 ] - [ 0.0004058000000000, -0.0036647600000000, 0.0017791300000000 ] - [ 0.0008109500000000, -0.0002185300000000, -0.0000721700000000 ] - [ 0.0008438700000000, 0.0006251500000000, 0.0002894800000000 ] - [ 0.0011095500000000, -0.0001930900000000, -0.0065087000000000 ] - [ -0.0186346500000000, 0.0097992000000000, 0.0141462900000000 ] - [ 0.0028500100000000, 0.0007602400000000, -0.0005536000000000 ] - [ -0.0009749800000000, -0.0262843700000000, 0.0041678300000000 ] - [ 0.0000469800000000, -0.0005455000000000, -0.0001844000000000 ] - [ -0.0015357600000000, 0.0027731000000000, -0.0017526200000000 ] - [ 0.0005442600000000, 0.0020616700000000, 0.0015739500000000 ] - [ 0.0014127300000000, -0.0033779400000000, 0.0000531300000000 ] - [ -0.0022947600000000, -0.0057541400000000, -0.0000841300000000 ] - [ 0.0001445500000000, 0.0028768700000000, -0.0005698600000000 ] - [ 0.0002247800000000, 0.0010186500000000, 0.0006143800000000 ] - [ 0.0014544200000000, 0.0058318800000000, 0.0178090700000000 ] - [ -0.0004077800000000, 0.0019710100000000, -0.0005736300000000 ] - [ -0.0028788400000000, -0.0065354900000000, -0.0022761400000000 ] - [ 0.0014265600000000, -0.0009900700000000, 0.0002760100000000 ] - [ -0.0008796100000000, -0.0029616600000000, 0.0002882000000000 ] - [ 0.0023103400000000, -0.0033239400000000, 0.0041167800000000 ] - [ 0.0145532900000000, 0.0020557600000000, -0.0111527100000000 ] - [ -0.0015473000000000, 0.0011760100000000, -0.0020841400000000 ] - [ -0.0353028100000000, 0.1211623700000000, 0.0070652700000000 ] - [ 0.0003933200000000, 0.0015362100000000, -0.0003882100000000 ] - [ -0.0003584500000000, -0.0021556300000000, 0.0005138200000000 ] - [ -0.0001040900000000, -0.0024936000000000, 0.0006379800000000 ] - [ -0.0040607700000000, 0.0004925500000000, 0.0003468900000000 ] - [ 0.0203841400000000, -0.0053085500000000, 0.0038930100000000 ] - [ -0.0000128500000000, -0.0016779000000000, 0.0001712200000000 ] - [ 0.0006144900000000, -0.0003488600000000, 0.0001618800000000 ]- atom: 129 displacement: [ -0.0050436217710434, 0.0000000000000000, 0.0086349220859633 ] forces: - [ -0.0268081700000000, -0.0021142400000000, 0.0213756400000000 ] - [ 0.0003723800000000, -0.0000720300000000, 0.0005125500000000 ] - [ 0.0013059400000000, 0.0000815000000000, -0.0011527800000000 ] - [ -0.0006841200000000, -0.0006437500000000, -0.0000829900000000 ] - [ -0.0035822400000000, -0.0022171900000000, 0.0052723900000000 ] - [ 0.0026971100000000, -0.0015373800000000, -0.0012327800000000 ] - [ 0.0013132800000000, 0.0032506500000000, -0.0023427000000000 ] - [ -0.0004337500000000, -0.0002885200000000, -0.0001654300000000 ] - [ 0.0018279600000000, -0.0008033900000000, -0.0002670600000000 ] - [ -0.0016212900000000, -0.0014966000000000, 0.0013757200000000 ] - [ 0.0008319700000000, 0.0019614200000000, -0.0111986100000000 ] - [ -0.0014321000000000, -0.0005381400000000, -0.0004627200000000 ] - [ -0.0018048500000000, 0.0022885700000000, 0.0015826100000000 ] - [ 0.0000471600000000, 0.0005976100000000, 0.0007525800000000 ] - [ -0.0034034500000000, -0.0007569500000000, -0.0026683100000000 ] - [ 0.0023983800000000, 0.0000465800000000, -0.0044249200000000 ] - [ -0.0030216000000000, -0.0016098400000000, 0.0215627200000000 ] - [ 0.0034091400000000, 0.0005569900000000, -0.0011524800000000 ] - [ -0.0014601200000000, 0.0001073600000000, 0.0001041600000000 ] - [ -0.0002508100000000, -0.0000069000000000, -0.0003739300000000 ] - [ 0.0080169500000000, 0.0068116600000000, -0.0022432000000000 ] - [ -0.0004197700000000, 0.0000894200000000, 0.0026874700000000 ] - [ 0.0036099200000000, -0.0022809400000000, -0.0026798100000000 ] - [ -0.0011469300000000, -0.0001000100000000, 0.0002237300000000 ] - [ 0.0010252700000000, 0.0007526600000000, -0.0016374600000000 ] - [ -0.0013374100000000, -0.0040408000000000, -0.0014236900000000 ] - [ -0.0057311800000000, 0.0181398300000000, 0.0034123400000000 ] - [ 0.0007809100000000, -0.0003482000000000, 0.0003609900000000 ] - [ 0.0008855200000000, -0.0002647100000000, -0.0008221400000000 ] - [ -0.0004226400000000, -0.0001710600000000, 0.0005674900000000 ] - [ -0.0038078000000000, 0.0006839300000000, 0.0045455900000000 ] - [ 0.0082592900000000, -0.0030250900000000, -0.0018404700000000 ] - [ -0.0045156900000000, 0.0050490600000000, 0.0029267200000000 ] - [ 0.0011652100000000, 0.0001459500000000, -0.0001910700000000 ] - [ 0.0013117500000000, -0.0032321900000000, -0.0056728000000000 ] - [ -0.0007849600000000, 0.0000251700000000, -0.0005803500000000 ] - [ -0.0007629800000000, 0.0001117400000000, 0.0002543300000000 ] - [ 0.0019107600000000, -0.0001303800000000, -0.0012384700000000 ] - [ -0.0032049700000000, 0.0005021000000000, 0.0072727800000000 ] - [ 0.0003870600000000, 0.0008448500000000, 0.0001227700000000 ] - [ -0.0021831700000000, 0.0008538100000000, -0.0057230400000000 ] - [ -0.0008150300000000, 0.0008644300000000, -0.0061458400000000 ] - [ -0.0009912800000000, 0.0015346300000000, 0.0043348700000000 ] - [ 0.0008692600000000, 0.0005313800000000, 0.0008728500000000 ] - [ 0.0009532700000000, -0.0000394200000000, -0.0031773700000000 ] - [ -0.0006879500000000, -0.0004230400000000, 0.0001378800000000 ] - [ 0.0029110400000000, -0.0020217700000000, 0.0034725300000000 ] - [ 0.0053310800000000, 0.0032507400000000, 0.0049967800000000 ] - [ 0.0018607200000000, -0.0009557300000000, -0.0014931200000000 ] - [ -0.0083550000000000, -0.0031966800000000, -0.0106042900000000 ] - [ -0.0001464200000000, 0.0031587400000000, -0.0012574600000000 ] - [ 0.0004755200000000, -0.0002177200000000, -0.0002062900000000 ] - [ 0.0049009800000000, -0.0046485600000000, -0.0057600100000000 ] - [ -0.0003098700000000, 0.0005315400000000, 0.0002296000000000 ] - [ -0.0017348600000000, 0.0002454100000000, 0.0016076400000000 ] - [ 0.0062347100000000, 0.0045562100000000, -0.0029625700000000 ] - [ 0.0022984900000000, -0.0007563900000000, -0.0091314000000000 ] - [ -0.0004545300000000, 0.0005727900000000, -0.0003108900000000 ] - [ -0.0013180600000000, 0.0008952800000000, 0.0016295800000000 ] - [ 0.0008525300000000, 0.0010883300000000, -0.0003346000000000 ] - [ 0.0022014000000000, 0.0003231000000000, -0.0033032100000000 ] - [ -0.0033103700000000, 0.0017648900000000, -0.0005642600000000 ] - [ 0.0005138900000000, -0.0035672500000000, 0.0008620900000000 ] - [ 0.0006483300000000, 0.0001620700000000, 0.0007942900000000 ] - [ 0.0026781800000000, -0.0002370500000000, 0.0007074600000000 ] - [ -0.0111293200000000, 0.0043932200000000, 0.0114620600000000 ] - [ 0.0005977700000000, -0.0001484500000000, -0.0023409200000000 ] - [ -0.0003262000000000, -0.0002967100000000, -0.0003501300000000 ] - [ -0.0117233300000000, 0.0161910000000000, 0.0199126900000000 ] - [ 0.0009593600000000, 0.0000581000000000, 0.0002504700000000 ] - [ -0.0010593200000000, 0.0005656500000000, -0.0001176300000000 ] - [ 0.0009403700000000, 0.0008806200000000, -0.0021784500000000 ] - [ 0.0046963000000000, 0.0013681200000000, -0.0039741100000000 ] - [ -0.0044019800000000, 0.0003075400000000, 0.0005763100000000 ] - [ 0.0019030300000000, 0.0001045400000000, -0.0004665000000000 ] - [ 0.0000287600000000, 0.0002119300000000, 0.0005960800000000 ] - [ -0.0040437400000000, -0.0036070300000000, -0.0047589900000000 ] - [ 0.0009870200000000, 0.0006652900000000, -0.0013049900000000 ] - [ 0.0017248800000000, -0.0000574200000000, 0.0004074700000000 ] - [ -0.0047227500000000, -0.0005301600000000, 0.0037645300000000 ] - [ -0.0003650300000000, 0.0000919900000000, 0.0007833500000000 ] - [ 0.0006201500000000, -0.0008010000000000, 0.0000428300000000 ] - [ 0.0021380600000000, 0.0002871100000000, -0.0031091400000000 ] - [ -0.0006646800000000, 0.0001680800000000, 0.0000910100000000 ] - [ 0.0006881100000000, -0.0008578800000000, -0.0014698200000000 ] - [ -0.0003822200000000, 0.0005668000000000, -0.0007365800000000 ] - [ -0.0069434900000000, -0.0000705900000000, 0.0088439700000000 ] - [ 0.0005002800000000, -0.0001653600000000, 0.0001909300000000 ] - [ -0.0036912600000000, -0.0002304900000000, 0.0013212600000000 ] - [ 0.0026432800000000, 0.0013131700000000, -0.0008001500000000 ] - [ 0.0093463500000000, -0.0116156700000000, -0.0051297300000000 ] - [ -0.0024008300000000, 0.0003183800000000, 0.0005665400000000 ] - [ -0.0036614000000000, 0.0015507000000000, 0.0061322800000000 ] - [ 0.0005687100000000, -0.0002599400000000, 0.0007350200000000 ] - [ -0.0000705800000000, -0.0015801700000000, -0.0057471000000000 ] - [ -0.0253371000000000, -0.0081726500000000, -0.0016245400000000 ] - [ 0.0032211400000000, -0.0021041000000000, -0.0005008400000000 ] - [ -0.0045968500000000, -0.0031013200000000, 0.0023016700000000 ] - [ -0.0023864900000000, 0.0135667300000000, 0.0233852800000000 ] - [ 0.0004200800000000, -0.0006810500000000, -0.0003441700000000 ] - [ -0.0011636700000000, 0.0004472900000000, 0.0017965000000000 ] - [ 0.0006341800000000, -0.0000047400000000, -0.0005969800000000 ] - [ -0.0065187100000000, -0.0006995000000000, 0.0018106400000000 ] - [ 0.0181993400000000, -0.0073645100000000, 0.0011336300000000 ] - [ 0.0167235600000000, 0.0079544000000000, -0.0032992300000000 ] - [ -0.0069741500000000, 0.0031011500000000, 0.0056604900000000 ] - [ 0.0009215000000000, -0.0010156300000000, -0.0002538000000000 ] - [ 0.0005762400000000, 0.0011035200000000, -0.0006420000000000 ] - [ 0.0006848000000000, -0.0013883100000000, 0.0031982600000000 ] - [ -0.0009774900000000, 0.0074377300000000, 0.0107971700000000 ] - [ -0.0170532600000000, -0.0286272200000000, 0.0247489800000000 ] - [ 0.0002494000000000, -0.0008652900000000, -0.0002368400000000 ] - [ 0.0059495300000000, 0.0041140300000000, -0.0097495300000000 ] - [ -0.0016705800000000, -0.0000238800000000, -0.0004262400000000 ] - [ 0.0015122300000000, 0.0015742700000000, 0.0064799100000000 ] - [ 0.0013917300000000, -0.0017568200000000, 0.0064728300000000 ] - [ -0.0014590700000000, 0.0011062800000000, -0.0019542800000000 ] - [ 0.0004034300000000, -0.0023560500000000, -0.0027087900000000 ] - [ -0.0068613700000000, -0.0000669300000000, 0.0106541000000000 ] - [ 0.0035368500000000, -0.0008284000000000, 0.0014825400000000 ] - [ 0.0033543800000000, -0.0122504400000000, 0.0274334900000000 ] - [ 0.0000312300000000, 0.0013491800000000, 0.0021843100000000 ] - [ 0.0035747600000000, 0.0039221300000000, -0.0035909600000000 ] - [ -0.0020423600000000, 0.0017077500000000, 0.0013297800000000 ] - [ -0.0031853800000000, -0.0024282600000000, 0.0040468400000000 ] - [ 0.0027391100000000, -0.0015429800000000, -0.0003866100000000 ] - [ -0.0165746900000000, 0.0168955500000000, 0.0088957400000000 ] - [ -0.0004600700000000, -0.0002255200000000, -0.0039741700000000 ] - [ 0.0941229200000000, -0.0246746100000000, -0.1291948500000000 ] - [ -0.0025897200000000, 0.0004079300000000, -0.0008275100000000 ] - [ 0.0000725000000000, 0.0004933500000000, 0.0017205300000000 ] - [ -0.0006342600000000, 0.0004800900000000, 0.0031071300000000 ] - [ -0.0043777900000000, -0.0022203500000000, -0.0053035400000000 ] - [ -0.0119953600000000, 0.0070463100000000, -0.0124011600000000 ] - [ -0.0033986400000000, 0.0002725400000000, 0.0063463600000000 ] - [ 0.0018398400000000, -0.0000415500000000, 0.0001076500000000 ]- atom: 129 displacement: [ 0.0050436217710434, 0.0000000000000000, -0.0086349220859633 ] forces: - [ 0.0285960200000000, 0.0023295700000000, -0.0226237000000000 ] - [ -0.0007025000000000, 0.0001519500000000, -0.0003890300000000 ] - [ -0.0009937000000000, 0.0000014800000000, 0.0010348600000000 ] - [ 0.0010056800000000, 0.0007316400000000, -0.0000413700000000 ] - [ 0.0039195000000000, 0.0021435300000000, -0.0053943100000000 ] - [ -0.0023878800000000, 0.0014422500000000, 0.0011284700000000 ] - [ -0.0016304300000000, -0.0033186500000000, 0.0024640500000000 ] - [ 0.0001195300000000, 0.0002058000000000, 0.0002825200000000 ] - [ -0.0006225300000000, -0.0004851800000000, -0.0003329800000000 ] - [ 0.0028230200000000, 0.0002015400000000, -0.0019784100000000 ] - [ -0.0020450000000000, -0.0032868700000000, 0.0118474700000000 ] - [ 0.0002097500000000, -0.0007527000000000, 0.0010520400000000 ] - [ 0.0005924600000000, -0.0009974000000000, -0.0009754200000000 ] - [ -0.0012555400000000, 0.0006931500000000, -0.0001586300000000 ] - [ 0.0046284800000000, 0.0020650500000000, 0.0020965400000000 ] - [ -0.0011770200000000, 0.0012398500000000, 0.0038377900000000 ] - [ 0.0046429800000000, 0.0018808900000000, -0.0214622400000000 ] - [ -0.0022219700000000, -0.0002753100000000, 0.0007055600000000 ] - [ 0.0002777100000000, 0.0001749200000000, 0.0003491700000000 ] - [ -0.0009269900000000, 0.0002893300000000, 0.0008232300000000 ] - [ -0.0092192300000000, -0.0071299300000000, 0.0027003100000000 ] - [ -0.0007914900000000, -0.0003568200000000, -0.0022481400000000 ] - [ -0.0024437900000000, 0.0020109300000000, 0.0022354200000000 ] - [ 0.0023272400000000, -0.0001853900000000, -0.0006765800000000 ] - [ -0.0010266300000000, -0.0008442000000000, 0.0006619800000000 ] - [ 0.0013511800000000, 0.0039641700000000, 0.0004458800000000 ] - [ 0.0058866800000000, -0.0182301000000000, -0.0026009300000000 ] - [ -0.0007960600000000, 0.0002584300000000, 0.0006177600000000 ] - [ -0.0008900500000000, 0.0003565100000000, 0.0018006900000000 ] - [ 0.0004192500000000, 0.0002651800000000, 0.0004054000000000 ] - [ 0.0038118000000000, -0.0005942800000000, -0.0055411300000000 ] - [ -0.0082182600000000, 0.0031077900000000, 0.0008760200000000 ] - [ 0.0034232800000000, -0.0048582600000000, -0.0025859600000000 ] - [ -0.0022435800000000, 0.0000396000000000, 0.0005115900000000 ] - [ -0.0018323200000000, 0.0024018700000000, 0.0050699000000000 ] - [ 0.0002468200000000, -0.0008737500000000, -0.0000428200000000 ] - [ 0.0012856700000000, 0.0007384400000000, 0.0003658000000000 ] - [ -0.0013798200000000, 0.0009764800000000, 0.0018623100000000 ] - [ 0.0020219100000000, -0.0002745400000000, -0.0072734600000000 ] - [ -0.0009151600000000, 0.0000037900000000, -0.0007446600000000 ] - [ 0.0019074700000000, 0.0001350800000000, 0.0047367900000000 ] - [ 0.0005659500000000, 0.0001210800000000, 0.0051822200000000 ] - [ 0.0012567300000000, -0.0005550900000000, -0.0033625600000000 ] - [ -0.0006124500000000, 0.0004555900000000, 0.0000982300000000 ] - [ -0.0006948300000000, -0.0009590200000000, 0.0041543700000000 ] - [ 0.0009451300000000, -0.0005584400000000, 0.0008268800000000 ] - [ -0.0031739300000000, 0.0010439100000000, -0.0044607500000000 ] - [ -0.0055772900000000, -0.0042329000000000, -0.0059460000000000 ] - [ -0.0020701600000000, 0.0002500000000000, 0.0016457400000000 ] - [ 0.0082913700000000, 0.0024727300000000, 0.0107296700000000 ] - [ 0.0003538200000000, -0.0038566000000000, 0.0010946900000000 ] - [ -0.0002799700000000, -0.0004909800000000, 0.0000516600000000 ] - [ -0.0047093600000000, 0.0053538800000000, 0.0056266400000000 ] - [ 0.0005131400000000, 0.0001775400000000, -0.0003866400000000 ] - [ 0.0015393300000000, 0.0004636900000000, -0.0014574200000000 ] - [ -0.0064501400000000, -0.0038471200000000, 0.0031265100000000 ] - [ -0.0019371300000000, 0.0013934100000000, 0.0096675200000000 ] - [ 0.0008307800000000, 0.0000858400000000, 0.0008726300000000 ] - [ 0.0009539100000000, -0.0002366800000000, -0.0021970200000000 ] - [ -0.0012231700000000, -0.0004268300000000, -0.0002296400000000 ] - [ -0.0025803300000000, -0.0009862900000000, 0.0027312500000000 ] - [ 0.0029648800000000, -0.0024195900000000, -0.0000651500000000 ] - [ -0.0001261300000000, 0.0029016700000000, -0.0003077800000000 ] - [ -0.0002832700000000, -0.0008214600000000, -0.0002240600000000 ] - [ -0.0027504800000000, -0.0002318000000000, -0.0001991400000000 ] - [ 0.0111214900000000, -0.0048396100000000, -0.0111041000000000 ] - [ -0.0005309200000000, -0.0003141000000000, 0.0018193700000000 ] - [ 0.0003845000000000, -0.0001698200000000, -0.0001677600000000 ] - [ 0.0112510600000000, -0.0146141000000000, -0.0198116600000000 ] - [ -0.0008991100000000, 0.0004081400000000, -0.0007706200000000 ] - [ 0.0009965000000000, -0.0001002900000000, 0.0006365900000000 ] - [ -0.0009986900000000, -0.0004115800000000, 0.0026998900000000 ] - [ -0.0057891400000000, -0.0015539300000000, 0.0042920000000000 ] - [ 0.0033016200000000, -0.0005171900000000, -0.0003083000000000 ] - [ -0.0008187300000000, -0.0002960900000000, 0.0001425500000000 ] - [ 0.0010444600000000, -0.0003912400000000, -0.0009158000000000 ] - [ 0.0051056000000000, 0.0037747700000000, 0.0044392900000000 ] - [ 0.0000936900000000, -0.0004824900000000, 0.0009874000000000 ] - [ -0.0012046600000000, -0.0007924400000000, 0.0002084400000000 ] - [ 0.0052613000000000, -0.0003007900000000, -0.0031464900000000 ] - [ 0.0005477100000000, 0.0001743700000000, -0.0011549600000000 ] - [ -0.0004447000000000, 0.0010776100000000, -0.0004062100000000 ] - [ -0.0023166100000000, -0.0000125200000000, 0.0034758400000000 ] - [ 0.0004860800000000, 0.0000940400000000, 0.0002725000000000 ] - [ -0.0005114500000000, 0.0005896300000000, 0.0011008400000000 ] - [ 0.0005702800000000, -0.0008343300000000, 0.0003642300000000 ] - [ 0.0068903700000000, -0.0004272900000000, -0.0085629800000000 ] - [ -0.0006844000000000, -0.0001010500000000, 0.0001795500000000 ] - [ 0.0022804900000000, -0.0014227900000000, -0.0004139100000000 ] - [ -0.0040723200000000, -0.0029674200000000, 0.0017199600000000 ] - [ -0.0108408000000000, 0.0122159100000000, 0.0065415900000000 ] - [ 0.0009393500000000, 0.0002961500000000, 0.0008403800000000 ] - [ 0.0021807000000000, -0.0021587100000000, -0.0047305100000000 ] - [ -0.0020388600000000, -0.0003635200000000, 0.0006788100000000 ] - [ 0.0015388500000000, 0.0009605500000000, 0.0043544700000000 ] - [ 0.0267007400000000, 0.0074672800000000, 0.0002149800000000 ] - [ -0.0042173400000000, 0.0015123300000000, 0.0011175500000000 ] - [ 0.0036022700000000, 0.0025018100000000, -0.0016859000000000 ] - [ 0.0033611500000000, -0.0139948900000000, -0.0239309900000000 ] - [ 0.0005652000000000, 0.0000836800000000, -0.0002722000000000 ] - [ 0.0021432600000000, 0.0001510300000000, -0.0024083700000000 ] - [ 0.0003651700000000, 0.0005990600000000, -0.0000228600000000 ] - [ 0.0055506600000000, 0.0012977500000000, -0.0011824200000000 ] - [ -0.0193029500000000, 0.0080665800000000, -0.0002550300000000 ] - [ -0.0181815200000000, -0.0063205100000000, 0.0041961600000000 ] - [ 0.0055306400000000, -0.0014338500000000, -0.0047620900000000 ] - [ 0.0005041900000000, 0.0026572100000000, -0.0006650600000000 ] - [ 0.0008424900000000, 0.0005441200000000, -0.0002580800000000 ] - [ 0.0008031600000000, 0.0019984300000000, -0.0046017700000000 ] - [ 0.0024281200000000, -0.0068544100000000, -0.0122472700000000 ] - [ 0.0186767800000000, 0.0273606100000000, -0.0258694600000000 ] - [ 0.0012036500000000, -0.0007770100000000, -0.0006636600000000 ] - [ -0.0056664800000000, -0.0035848900000000, 0.0095725800000000 ] - [ 0.0019492100000000, 0.0004860900000000, 0.0002785700000000 ] - [ -0.0017481100000000, -0.0011102100000000, -0.0063280200000000 ] - [ -0.0017085900000000, 0.0022321900000000, -0.0063350900000000 ] - [ 0.0011785900000000, -0.0015724700000000, 0.0021071300000000 ] - [ -0.0006709600000000, 0.0018879100000000, 0.0028487100000000 ] - [ 0.0071395500000000, -0.0003941500000000, -0.0108072400000000 ] - [ -0.0032573700000000, 0.0003628100000000, -0.0016138900000000 ] - [ -0.0036237100000000, 0.0139753500000000, -0.0279215400000000 ] - [ -0.0003585400000000, 0.0005457500000000, -0.0028991400000000 ] - [ -0.0032515200000000, -0.0020284900000000, 0.0042938800000000 ] - [ 0.0023629400000000, 0.0001891900000000, -0.0006222500000000 ] - [ 0.0035154300000000, 0.0005474600000000, -0.0033297900000000 ] - [ -0.0024222500000000, -0.0003757200000000, 0.0011201400000000 ] - [ 0.0163375100000000, -0.0189614200000000, -0.0096231100000000 ] - [ 0.0001644400000000, -0.0016498000000000, 0.0032536500000000 ] - [ -0.0956025800000000, 0.0243702300000000, 0.1287271600000000 ] - [ 0.0030247500000000, -0.0001410900000000, 0.0004721200000000 ] - [ -0.0004866200000000, -0.0002260300000000, -0.0013696700000000 ] - [ 0.0002024000000000, -0.0002172000000000, -0.0027504200000000 ] - [ 0.0039632200000000, 0.0019684900000000, 0.0056865200000000 ] - [ 0.0116094600000000, -0.0073515000000000, 0.0126261200000000 ] - [ 0.0038207900000000, -0.0005529400000000, -0.0067064000000000 ] - [ -0.0014137300000000, -0.0002210500000000, -0.0004575700000000 ]